data_r6g6tsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2019-03-13 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      6g6t 
_cell.length_a      42.0570 
_cell.length_b      41.1960 
_cell.length_c      72.0940 
_cell.angle_alpha   90.0000 
_cell.angle_beta    104.1920 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9755 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.123 
_diffrn_reflns.pdbx_d_res_low    39.710 
_diffrn_reflns.limit_h_max       36 
_diffrn_reflns.limit_h_min       -37 
_diffrn_reflns.limit_k_max       36 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       64 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            91383 
_diffrn_reflns.pdbx_number_obs   86179 
# 
_entry.id   6g6t 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               6g6t 
_symmetry.space_group_name_H-M   "P 1 21 1" 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"       
2 "-X,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -37 0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 0  7  o 70.23143 1.666772  49.65479       2.338266  49.65479       2.338266  49.65479       2.338266  -0.000000      0.000000  
1 1 1 -37 0  8  o 6.302994 1.876326  0.5667062      0.2887259 0.8706520      0.3836285 0.1696140      0.4384888 -0.000000      0.000000  
1 1 1 -37 0  9  o 5.918168 2.003854  0.5263224      0.2758344 0.5927687      0.3565875 0.4273301      0.4352425 -0.000000      0.000000  
1 1 1 -37 0  10 o 29.36862 0.8727646 8.664292       0.5091865 9.636004       0.7420930 7.799812       0.6999505 -0.000000      0.000000  
1 1 1 -37 0  11 o 24.63304 0.8972009 6.147890       0.4383419 6.538178       0.6134004 5.740586       0.6266294 -0.000000      0.000000  
1 1 1 -37 0  12 o 24.23696 0.8929927 5.912716       0.4292180 5.609071       0.5814391 6.276333       0.6362720 -0.000000      0.000000  
1 1 1 -37 0  13 f 12.04292 1.514038  1.622584       0.3202559 1.802391       0.4285461 1.395157       0.4819662 -0.000000      0.000000  
1 1 1 -37 0  14 o 20.39202 0.9614139 4.171924       0.3859331 3.730716       0.5117553 4.753737       0.5876694 -0.000000      0.000000  
1 1 1 -37 0  15 o 24.87242 0.9158419 6.273325       0.4508458 6.934006       0.6370004 5.610184       0.6381856 -0.000000      0.000000  
1 1 1 -37 0  16 o 4.034893 1.791012  0.1108729      0.2908060 0.1481854      0.3790930 0.5752037E-01  0.4533109 -0.000000      0.000000  
1 1 1 -37 0  17 o 6.679883 2.009598  0.6524361      0.3076846 0.8930951      0.4072590 0.3324035      0.4696418 -0.000000      0.000000  
1 1 1 -37 0  18 f 15.86827 1.256912  2.673491       0.3751065 3.255001       0.5164942 2.024430       0.5456687 -0.000000      0.000000  
1 1 1 -37 0  19 o 47.01901 0.9643957 22.22510       0.9050149 22.69235       1.296480  21.78102       1.263910  -0.000000      0.000000  
1 1 1 -37 0  20 o 3.468253 1.650618  -0.2372138     0.3092716 -0.4750492     0.4031696 0.1028429      0.4820868 -0.000000      0.000000  
1 1 1 -37 0  21 o 28.09061 0.9265022 7.961693       0.5173359 7.896209       0.7113519 8.035213       0.7537330 -0.000000      0.000000  
1 1 1 -37 0  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 0  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 0  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 0  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 1  7  f 10.21453 1.632109  1.130813       0.3246779 0.9110938      0.4957605 1.295828       0.4296342 -1.845743      3.264219  
1 1 1 -37 1  8  o 12.86950 0.9908150 1.657476       0.2482318 1.623704       0.3151869 1.712640       0.4028265 -0.3237209     1.981630  
1 1 1 -37 1  9  o 31.59885 0.5987746 9.997084       0.3781213 9.485955       0.5249298 10.54831       0.5451308 -1.677988      1.197549  
1 1 1 -37 1  10 o 31.66266 0.6056703 10.04611       0.3834369 10.37094       0.5485998 9.735870       0.5361384 1.001013       1.211341  
1 1 1 -37 1  11 f 10.23338 1.100932  1.080087       0.2125248 0.7455406      0.2919339 1.457294       0.3099890 -3.607838      2.201864  
1 1 1 -37 1  12 o 28.35433 0.6085863 8.034836       0.3441330 8.944211       0.5009504 7.222189       0.4735590 3.032545       1.217173  
1 1 1 -37 1  13 o 7.550589 1.341841  0.6003199      0.2038412 0.4977194      0.2884964 0.7026061      0.2880540 -1.253082      2.683682  
1 1 1 -37 1  14 f 43.56030 0.6497784 19.01297       0.5658107 19.59292       0.8159556 18.47581       0.7852801 1.277397       1.299557  
1 1 1 -37 1  15 o 19.40956 0.6999211 3.782862       0.2710703 3.461305       0.3809290 4.112731       0.3858204 -1.677273      1.399842  
1 1 1 -37 1  16 o 35.05648 0.6190060 12.32338       0.4339558 12.16160       0.6152475 12.48356       0.6121764 -0.4596634     1.238012  
1 1 1 -37 1  17 o 33.94855 0.6279944 11.53185       0.4257197 10.66669       0.5884943 12.48165       0.6166062 -2.668797      1.255989  
1 1 1 -37 1  18 o 14.87136 0.8702133 2.236480       0.2572120 2.001972       0.3700383 2.455705       0.3577769 -1.528115      1.740427  
1 1 1 -37 1  19 f 20.00939 0.8588460 4.107615       0.3274119 3.734524       0.5403365 4.324078       0.4115748 -1.499645      1.717692  
1 1 1 -37 1  20 o 19.46968 0.9909344 3.814030       0.3857347 3.692514       0.5380774 3.942501       0.5532619 -0.6383018     1.981869  
1 1 1 -37 1  21 o 16.53901 1.105374  2.765454       0.3645111 2.867596       0.5022857 2.651811       0.5298079 0.6598358      2.210748  
1 1 1 -37 1  22 o 25.94257 0.9356672 6.751598       0.4847402 6.319362       0.6656823 7.239509       0.7072573 -1.763752      1.871334  
1 1 1 -37 1  23 o 16.72498 1.709739  2.910600       0.4985644 2.856844       0.9330130 2.932084       0.5898374 -0.6152115     3.419477  
1 1 1 -37 1  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 1  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 2  7  o 34.85143 1.163928  0.000000       0.000000  ?              ?         12.20629       0.8112910 ?              ?         
1 1 1 -37 2  8  o 30.97891 0.7850103 9.663515       0.4849696 10.05245       0.6698317 9.235012       0.7030767 1.325979       1.570021  
1 1 1 -37 2  9  o 24.42087 0.6294881 5.975262       0.3072480 5.843103       0.4252225 6.119638       0.4444430 -0.5631485     1.258976  
1 1 1 -37 2  10 o 24.55546 0.6225787 6.041698       0.3055936 5.775562       0.4263606 6.322862       0.4382333 -1.112581      1.245157  
1 1 1 -37 2  11 o 46.77790 0.6604150 21.94624       0.6178207 22.13001       0.8795487 21.76724       0.8680261 0.3858795      1.320830  
1 1 1 -37 2  12 f 20.52637 0.6708402 4.226564       0.2753896 4.188718       0.3895063 4.264392       0.3894133 -0.1843472     1.341680  
1 1 1 -37 2  13 o 25.09612 0.6294857 6.314377       0.3157923 6.347099       0.4544277 6.283816       0.4391591 0.1237297      1.258971  
1 1 1 -37 2  14 o 40.79023 0.6343355 16.67254       0.5172642 16.01300       0.7214785 17.37013       0.7419971 -1.660362      1.268671  
1 1 1 -37 2  15 o 40.59927 0.6818180 16.46736       0.5465789 16.95760       0.8485628 16.11972       0.7145553 1.009624       1.363636  
1 1 1 -37 2  16 o 21.99656 0.8938779 4.855414       0.3928094 4.567552       0.5427005 5.172168       0.5692852 -1.368546      1.787756  
1 1 1 -37 2  17 o 27.66588 0.8526827 7.673047       0.4711859 7.200910       0.6487410 8.200192       0.6854917 -1.798334      1.705365  
1 1 1 -37 2  18 o 22.32808 0.8922907 4.979331       0.3970980 4.510118       0.5377194 5.542173       0.5889308 -2.299944      1.784581  
1 1 1 -37 2  19 o 21.07138 0.8505954 4.589969       0.3412155 4.939013       0.4317155 4.009003       0.5569701 2.232283       1.701191  
1 1 1 -37 2  20 o 12.81239 0.9559020 1.653289       0.2442074 1.819664       0.3482927 1.492398       0.3425029 1.275789       1.911804  
1 1 1 -37 2  21 o 16.17354 0.8191741 2.625581       0.2647459 2.785821       0.3804021 2.475058       0.3686872 0.9583321      1.638348  
1 1 1 -37 2  22 o 5.694747 1.598712  0.1841547      0.2682611 0.2520030      0.3355466 0.6397422E-01  0.4465811 0.1117306      3.197424  
1 1 1 -37 2  23 o 5.328961 2.310939  0.000000       0.000000  ?              ?         -0.5692418E-01 0.4556145 ?              ?         
1 1 1 -37 2  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 3  8  f 35.65668 1.132325  0.000000       0.000000  ?              ?         12.77342       0.8074995 ?              ?         
1 1 1 -37 3  9  o 20.50679 0.8639348 4.197933       0.3530388 4.692630       0.5242097 3.787322       0.4775855 2.197090       1.727870  
1 1 1 -37 3  10 o 39.37559 0.7336938 15.48404       0.5517926 15.29836       0.6834409 15.83171       0.9351790 -0.6312408     1.467388  
1 1 1 -37 3  11 f 14.91027 0.8830706 2.305055       0.2545610 2.615976       0.3356589 1.884125       0.3905515 2.465963       1.766141  
1 1 1 -37 3  12 f 17.94899 0.9197388 3.244919       0.3294184 3.503981       0.4666935 2.987681       0.4650468 1.437868       1.839478  
1 1 1 -37 3  13 o 18.74883 0.9128736 3.514962       0.3385621 2.845398       0.4608416 4.300106       0.4990339 -3.870945      1.825747  
1 1 1 -37 3  14 o 12.39562 1.248189  1.612613       0.2910242 2.054146       0.4084641 1.157389       0.4147486 3.771980       2.496378  
1 1 1 -37 3  15 o 29.32751 0.8147894 8.640585       0.4779119 8.680307       0.6770918 8.601150       0.6746539 0.1344662      1.629579  
1 1 1 -37 3  16 o 20.88850 0.7808267 4.257830       0.3160380 3.917275       0.3939582 4.872668       0.5293423 -2.260914      1.561653  
1 1 1 -37 3  17 o 53.49025 0.7139564 28.70285       0.7636301 28.20872       1.066503  29.22268       1.093890  -0.9429893     1.427913  
1 1 1 -37 3  18 o 15.50490 0.8224604 2.426829       0.2516678 1.948250       0.3511714 2.932152       0.3608500 -3.170936      1.644921  
1 1 1 -37 3  19 o 28.72369 0.6305870 8.274233       0.3621986 8.100991       0.5120234 8.447749       0.5124293 -0.6035461     1.261174  
1 1 1 -37 3  20 o 35.61518 0.6990621 12.74752       0.4927967 12.86725       0.6534122 12.58959       0.7504631 0.4066429      1.398124  
1 1 1 -37 3  21 o 32.57678 0.7533863 10.68793       0.4748138 10.78637       0.6012751 10.52485       0.7739155 0.4337730      1.506773  
1 1 1 -37 3  22 o 14.36462 1.678294  0.000000       0.000000  ?              ?         2.084316       0.4821614 ?              ?         
1 1 1 -37 3  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 4  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 4  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 4  11 o 15.65299 1.276694  0.000000       0.000000  ?              ?         2.464505       0.3996817 ?              ?         
1 1 1 -37 4  12 o 26.36390 0.7728068 6.977402       0.4073846 6.770555       0.5703073 7.192916       0.5821325 -0.7987175     1.545614  
1 1 1 -37 4  13 f 25.49606 0.7024251 6.505277       0.3465637 6.452818       0.4371166 6.594063       0.5686691 -0.2540035     1.404850  
1 1 1 -37 4  14 o 13.03929 0.9364350 1.690391       0.2410500 1.592219       0.3129294 1.833646       0.3780112 -0.9105463     1.872870  
1 1 1 -37 4  15 o 15.22212 0.8604696 2.312643       0.2592239 2.220891       0.3398996 2.440200       0.4007709 -0.7073154     1.720939  
1 1 1 -37 4  16 o 30.94695 0.6730939 9.628731       0.4128601 9.771696       0.5505708 9.445055       0.6240538 0.5400314      1.346188  
1 1 1 -37 4  17 o 8.285357 1.465983  0.7453719      0.2438365 0.8763754      0.3176242 0.5573634      0.3805052 1.741755       2.931967  
1 1 1 -37 4  18 o 43.46360 0.7779391 18.76100       0.6464642 18.27369       0.7991177 19.68388       1.099716  -1.564114      1.555878  
1 1 1 -37 4  19 o 31.30015 0.7375560 9.806306       0.4514707 9.700096       0.5791264 9.970856       0.7208392 -0.4063148     1.475112  
1 1 1 -37 4  20 o 32.54886 1.153978  10.17796       0.6387197 11.69671       1.353886  9.743176       0.7243997 2.820614       2.307956  
1 1 1 -37 4  21 o 21.38564 1.286797  0.000000       0.000000  ?              ?         4.600889       0.5503796 ?              ?         
1 1 1 -37 4  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 5  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 5  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -37 5  14 o 30.35250 1.076612  0.000000       0.000000  ?              ?         9.251373       0.6535575 ?              ?         
1 1 1 -37 5  15 o 7.599664 1.905710  0.4920280      0.3023708 0.5270064      0.7120522 0.4843328      0.3339789 1.347858       3.811421  
1 1 1 -37 5  16 o 10.49492 1.821905  0.8692597      0.3262933 1.865992       0.7419276 0.6302463      0.3633151 5.443160       3.643810  
1 1 1 -37 5  17 o 14.37574 1.424857  0.000000       0.000000  ?              ?         2.081795       0.4096677 ?              ?         
1 1 1 -37 5  18 o 4.930143 2.081647  0.000000       0.000000  ?              ?         0.2524792E-01  0.3525564 ?              ?         
1 1 1 -37 5  19 o 20.20612 1.236565  0.000000       0.000000  ?              ?         4.105648       0.4997235 ?              ?         
1 1 1 -37 5  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 0  1  o 4.983705 1.885544  0.3630099      0.2530088 0.3532476      0.3407962 0.3749979      0.3776525 -0.000000      0.000000  
1 1 1 -36 0  2  o 28.15213 0.8198853 7.982532       0.4598316 7.909272       0.6423633 8.059527       0.6585385 -0.000000      0.000000  
1 1 1 -36 0  3  o 11.84079 1.465509  1.517968       0.2949224 1.013767       0.3910443 2.183076       0.4491288 -0.000000      0.000000  
1 1 1 -36 0  4  o 10.50259 1.532907  1.213428       0.2821631 1.014172       0.3723829 1.482066       0.4323832 -0.000000      0.000000  
1 1 1 -36 0  5  o 5.509394 1.983425  0.4372038      0.2712818 0.3439923      0.3566242 0.5652158      0.4179281 -0.000000      0.000000  
1 1 1 -36 0  6  o 4.402532 1.688860  0.1751654      0.2575891 0.5026639      0.3396559 -0.2681817     0.3951905 -0.000000      0.000000  
1 1 1 -36 0  7  o 32.75567 0.8465306 10.79217       0.5524388 10.67032       0.7630651 10.92639       0.8008355 -0.000000      0.000000  
1 1 1 -36 0  8  o 7.975793 1.810035  0.8868781      0.2849382 1.168503       0.3716413 0.4852255      0.4438273 -0.000000      0.000000  
1 1 1 -36 0  9  o 25.36021 0.8733037 6.480058       0.4396532 6.316959       0.5983701 6.671415       0.6481342 -0.000000      0.000000  
1 1 1 -36 0  10 o 50.64088 0.9649777 25.77468       0.9757066 26.11579       1.389652  25.44302       1.370267  -0.000000      0.000000  
1 1 1 -36 0  11 o 28.75064 0.8665339 8.345710       0.4952151 8.909395       0.6972789 7.772017       0.7034416 -0.000000      0.000000  
1 1 1 -36 0  12 o 43.70087 1.285365  19.19776       1.121288  19.19776       1.121288  19.19776       1.121288  -0.000000      0.000000  
1 1 1 -36 0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 0  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 0  15 o 27.94926 1.313352  7.884577       0.7306759 7.884577       0.7306759 7.884577       0.7306759 -0.000000      0.000000  
1 1 1 -36 0  16 o 11.43844 1.678766  1.463701       0.3377847 1.360658       0.4554207 1.589700       0.5036047 -0.000000      0.000000  
1 1 1 -36 0  17 o 10.62922 1.793372  1.337556       0.3253622 1.470112       0.4291404 1.158344       0.4989799 -0.000000      0.000000  
1 1 1 -36 0  18 o 40.33168 0.9069647 16.35575       0.7298791 16.69618       1.039265  16.02441       1.025287  -0.000000      0.000000  
1 1 1 -36 0  19 o 32.73900 0.8869384 10.79537       0.5786505 10.90208       0.8091972 10.68370       0.8277904 -0.000000      0.000000  
1 1 1 -36 0  20 o 19.25763 1.040312  3.809851       0.3930797 4.208917       0.5478172 3.386336       0.5643485 -0.000000      0.000000  
1 1 1 -36 0  21 o 5.444220 2.084861  0.3652623      0.3231685 0.1619779      0.4189591 0.6639110      0.5078086 -0.000000      0.000000  
1 1 1 -36 0  22 o 3.575366 1.691723  -0.1169994     0.3158406 -0.1521902     0.4145484 -0.6830727E-01 0.4876297 -0.000000      0.000000  
1 1 1 -36 0  23 o 12.37956 1.794688  1.821344       0.3696236 2.338934       0.5054411 1.226354       0.5419163 -0.000000      0.000000  
1 1 1 -36 0  24 o 21.76108 1.447875  4.814675       0.6244601 4.814675       0.6244601 4.814675       0.6244601 -0.000000      0.000000  
1 1 1 -36 0  25 o 21.45082 1.065956  4.715101       0.4496537 5.042319       0.6173852 4.345446       0.6562009 -0.000000      0.000000  
1 1 1 -36 0  26 o 29.03106 0.9623159 8.510651       0.5554660 9.049385       0.7919970 7.989114       0.7792531 -0.000000      0.000000  
1 1 1 -36 0  27 o 21.42094 1.053965  4.668974       0.4465790 4.600148       0.6147307 4.745889       0.6498477 -0.000000      0.000000  
1 1 1 -36 0  28 o 38.86678 0.9502299 15.20741       0.7365277 15.66878       1.046430  14.75445       1.036851  -0.000000      0.000000  
1 1 1 -36 0  29 o 6.631920 2.316284  0.6066844      0.3803149 0.3587970      0.5020262 0.9405518      0.5826209 -0.000000      0.000000  
1 1 1 -36 0  30 o 34.16843 0.9653168 11.77257       0.6568430 12.33950       0.9307920 11.21020       0.9270517 -0.000000      0.000000  
1 1 1 -36 0  31 o 23.68271 1.612086  5.711614       0.7563913 5.711614       0.7563913 5.711614       0.7563913 -0.000000      0.000000  
1 1 1 -36 0  32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 1  1  o 20.63239 0.6178274 4.268971       0.2546901 4.024733       0.3581958 4.518714       0.3622103 -1.196495      1.235655  
1 1 1 -36 1  2  o 30.02901 0.5803032 9.031092       0.3483717 8.724174       0.4848340 9.358692       0.5009031 -1.054203      1.160606  
1 1 1 -36 1  3  o 58.68236 0.7305721 34.55145       0.8571988 35.21807       1.230022  33.92198       1.195250  1.097939       1.461144  
1 1 1 -36 1  4  o 20.31669 0.6369114 4.116441       0.2572688 4.799407       0.3782416 3.528460       0.3509548 3.123474       1.273823  
1 1 1 -36 1  5  o 35.90674 0.5951464 12.91825       0.4272815 13.24168       0.6127622 12.61216       0.5961162 0.8741341      1.190293  
1 1 1 -36 1  6  o 27.15339 0.5919255 7.390845       0.3214262 7.392124       0.4515416 7.389533       0.4576507 0.5647659E-02  1.183851  
1 1 1 -36 1  7  o 20.16347 0.6478977 4.072048       0.2608805 3.766614       0.3625583 4.399977       0.3756727 -1.568544      1.295795  
1 1 1 -36 1  8  o 46.78432 0.6527956 21.94924       0.6108001 21.87506       0.8605989 22.02454       0.8670406 -0.1587601     1.305591  
1 1 1 -36 1  9  o 36.18268 0.6571559 13.15450       0.4712914 12.93262       0.7127566 13.32688       0.6282302 -0.5576973     1.314312  
1 1 1 -36 1  10 o 25.43665 0.8680023 6.515882       0.4405249 6.961938       0.6188469 6.057659       0.6272301 1.779188       1.736005  
1 1 1 -36 1  11 o 50.22870 0.9531416 25.36772       0.9573026 25.89614       1.370788  24.86466       1.337487  1.019512       1.906283  
1 1 1 -36 1  12 o 48.37674 0.8179829 23.34397       0.7450228 23.03551       0.9083608 23.97796       1.302259  -0.9015160     1.635966  
1 1 1 -36 1  13 o 28.72194 0.6144520 8.226886       0.3517960 7.367502       0.4800825 9.223501       0.5169950 -3.225834      1.228904  
1 1 1 -36 1  14 o 49.03479 0.6777968 24.11489       0.6647105 24.19451       0.9406185 24.03546       0.9394679 0.1620064      1.355594  
1 1 1 -36 1  15 o 21.21530 0.7288572 4.450850       0.3058806 4.102483       0.3985879 4.949925       0.4770770 -1.984274      1.457714  
1 1 1 -36 1  16 o 17.02045 0.8904305 2.882097       0.2929011 2.800474       0.3670592 3.025176       0.4859807 -0.6362228     1.780861  
1 1 1 -36 1  17 o 32.85424 0.8887899 10.84769       0.5835232 10.87487       0.8430809 10.82269       0.8084604 0.7243347E-01  1.777580  
1 1 1 -36 1  18 f 22.90180 0.9601756 5.300741       0.4370870 4.653087       0.6207335 5.937660       0.6155677 -2.805647      1.920351  
1 1 1 -36 1  19 o 10.01736 1.539703  1.095442       0.2786880 0.8893430      0.5224723 1.177399       0.3294724 -1.585799      3.079405  
1 1 1 -36 1  20 o 36.71046 0.6408361 13.50408       0.4702894 12.94250       0.6567811 14.09500       0.6737220 -1.567215      1.281672  
1 1 1 -36 1  21 o 24.35525 0.7575845 5.814302       0.3599507 5.365323       0.4540283 6.573952       0.5905768 -2.457232      1.515169  
1 1 1 -36 1  22 o 27.55643 0.6616627 7.607571       0.3641127 7.040303       0.5066699 8.213414       0.5236143 -2.125935      1.323325  
1 1 1 -36 1  23 o 16.29168 0.8468311 2.667546       0.2737884 2.245853       0.3797592 3.123964       0.3950860 -2.691911      1.693662  
1 1 1 -36 1  24 o 22.66062 0.7054040 5.152490       0.3196731 5.067238       0.4511090 5.238485       0.4530693 -0.3775177     1.410808  
1 1 1 -36 1  25 o 21.92904 0.7260171 4.796197       0.3166201 5.576884       0.4666466 4.130194       0.4310103 3.292204       1.452034  
1 1 1 -36 1  26 o 38.28184 0.7143205 14.74722       0.5421975 15.02374       0.7247551 14.39577       0.8170878 0.8367195      1.428641  
1 1 1 -36 1  27 o 17.85049 0.8173865 3.199337       0.2911778 3.498392       0.4181660 2.917856       0.4056923 1.623541       1.634773  
1 1 1 -36 1  28 o 11.09183 1.230190  1.264451       0.2644877 1.458391       0.3777372 1.077918       0.3704534 1.865085       2.460380  
1 1 1 -36 1  29 o 37.35397 0.6708093 13.98683       0.5009246 13.42725       0.6989663 14.57773       0.7182564 -1.536804      1.341619  
1 1 1 -36 1  30 o 16.15868 0.9274455 2.624847       0.2994793 2.667615       0.4337876 2.585899       0.4139630 0.2483521      1.854891  
1 1 1 -36 1  31 o 11.29217 1.918017  1.346898       0.4319583 1.706745       0.6310124 1.029569       0.5925616 2.813489       3.836034  
1 1 1 -36 1  32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 2  1  o 46.86482 0.6399819 22.01769       0.5997045 21.70408       0.8368930 22.34868       0.8597909 -0.6841431     1.279964  
1 1 1 -36 2  2  o 42.55350 0.6168212 18.15419       0.5248863 18.05766       0.7354249 18.25441       0.7493740 -0.2290726     1.233642  
1 1 1 -36 2  3  o 7.662789 1.122187  0.5919185      0.1851314 0.1304035      0.2513518 1.139170       0.2737048 -5.958599      2.244374  
1 1 1 -36 2  4  o 44.03852 0.6276180 19.44651       0.5527593 19.67354       0.7863161 19.22471       0.7772032 0.5081406      1.255236  
1 1 1 -36 2  5  o 21.29201 0.6217071 4.547935       0.2646047 4.705767       0.3734231 4.388771       0.3749969 0.7446461      1.243414  
1 1 1 -36 2  6  f 19.69875 0.6416777 3.889614       0.2527049 3.828242       0.3514864 3.955280       0.3635774 -0.3205471     1.283355  
1 1 1 -36 2  7  o 19.45713 0.7595138 3.838067       0.2864471 3.642635       0.4599631 3.961880       0.3661078 -0.8373337     1.519028  
1 1 1 -36 2  8  o 22.00559 0.8375602 4.861006       0.3679311 4.799122       0.5037216 4.931785       0.5387046 -0.2944889     1.675120  
1 1 1 -36 2  9  o 25.22604 0.8161168 6.353980       0.4101273 5.989083       0.5510009 6.807292       0.6141374 -1.609686      1.632234  
1 1 1 -36 2  10 o 39.97039 0.6209068 16.01106       0.4962259 15.78256       0.6921792 16.25269       0.7117698 -0.5852699     1.241814  
1 1 1 -36 2  11 o 39.98336 0.6224198 16.02706       0.4977227 15.92109       0.7032462 16.13342       0.7045281 -0.2653503     1.244840  
1 1 1 -36 2  12 f 24.16009 0.6317726 5.850146       0.3050765 5.562513       0.4272889 6.149243       0.4357213 -1.213034      1.263545  
1 1 1 -36 2  13 o 52.59024 0.6994912 27.74213       0.7356898 27.47721       1.034019  28.01371       1.046946  -0.5080032     1.398982  
1 1 1 -36 2  14 o 33.08654 0.6114038 10.92970       0.4037598 10.12322       0.5519226 11.85822       0.5922088 -2.616295      1.222808  
1 1 1 -36 2  15 o 37.98683 0.6247842 14.46577       0.4746607 14.59925       0.6733611 14.33393       0.6692016 0.3486366      1.249568  
1 1 1 -36 2  16 f 32.33973 0.6154938 10.47567       0.3979102 10.75759       0.5736191 10.21419       0.5524383 0.8371811      1.230988  
1 1 1 -36 2  17 o 18.89525 0.7277701 3.568729       0.2727406 4.252105       0.3991203 2.970037       0.3735729 3.388350       1.455540  
1 1 1 -36 2  18 f 24.42580 0.6582791 5.979603       0.3214787 5.784654       0.4490395 6.184590       0.4604545 -0.8169537     1.316558  
1 1 1 -36 2  19 o 18.22602 0.9658447 3.329842       0.3513567 3.066408       0.4816307 3.629533       0.5137057 -1.537710      1.931689  
1 1 1 -36 2  20 o 12.41928 1.180793  1.425178       0.2806470 1.072850       0.3437204 2.129843       0.4860967 -4.216494      2.361585  
1 1 1 -36 2  21 o 35.65285 0.9409721 12.74372       0.6693791 11.58681       0.9203283 14.04312       0.9753567 -3.432690      1.881944  
1 1 1 -36 2  22 o 7.959156 1.883790  0.6070176      0.3467251 0.6490068      0.5543274 0.5800325      0.4443861 0.5709662      3.767580  
1 1 1 -36 2  23 o 31.07748 0.9499875 9.732174       0.5894979 9.203547       0.8402838 10.24450       0.8272218 -1.677732      1.899975  
1 1 1 -36 2  24 o 16.88303 1.109727  2.696616       0.3588495 3.513711       0.6279001 2.300286       0.4373030 3.541717       2.219454  
1 1 1 -36 2  25 o 45.50398 0.8477908 20.94252       0.7242938 20.42432       1.256399  21.20045       0.8864108 -0.9295311     1.695582  
1 1 1 -36 2  26 o 28.12271 0.7132394 7.866603       0.3977512 8.462729       0.6114976 7.429420       0.5236700 1.821329       1.426479  
1 1 1 -36 2  27 o 28.19977 0.8669968 8.070530       0.4488002 7.801521       0.8096269 8.189858       0.5392308 -0.7459946     1.733994  
1 1 1 -36 2  28 o 28.63548 0.6849087 8.216068       0.3913207 7.454551       0.5433247 9.036881       0.5640809 -2.759382      1.369817  
1 1 1 -36 2  29 f 7.226124 1.520720  0.5020079      0.2552611 0.8199179      0.3670738 0.2043222      0.3552060 3.174357       3.041440  
1 1 1 -36 2  30 o 32.19794 0.6826913 10.39694       0.4394680 10.01193       0.6156626 10.79691       0.6275101 -1.217014      1.365383  
1 1 1 -36 2  31 o 34.19059 1.391543  0.000000       0.000000  ?              ?         11.77088       0.9515537 ?              ?         
1 1 1 -36 3  1  f 7.631495 1.392812  0.6962373      0.2256594 0.1328808      0.4531240 0.8820369      0.2602244 -3.457757      2.785625  
1 1 1 -36 3  2  o 13.70555 0.7380618 1.875322       0.2008692 1.582214       0.2741230 2.215211       0.2951892 -2.305496      1.476124  
1 1 1 -36 3  3  o 8.949310 1.032969  0.8150610      0.1807913 0.7454138      0.2475511 0.8946683      0.2646607 -0.9538040     2.065938  
1 1 1 -36 3  4  o 24.98799 0.5802040 6.260078       0.2898608 6.461069       0.4104136 6.060041       0.4094383 0.8022976      1.160408  
1 1 1 -36 3  5  o 27.65560 0.6685333 7.599644       0.3595414 7.979972       0.5873117 7.371674       0.4547029 1.077496       1.337067  
1 1 1 -36 3  6  o 37.94574 0.8073806 14.46483       0.6127197 14.48127       0.8696210 14.44861       0.8634450 0.4178619E-01  1.614761  
1 1 1 -36 3  7  o 34.55020 0.6989496 12.10654       0.4673671 12.52220       0.5962949 11.44446       0.7525653 1.586060       1.397899  
1 1 1 -36 3  8  o 27.76886 0.5949538 7.723063       0.3301782 7.314988       0.4602582 8.155735       0.4739269 -1.511873      1.189908  
1 1 1 -36 3  9  o 7.433004 1.208797  0.5687260      0.1879494 0.2905802      0.2622365 0.8625243      0.2695141 -3.642739      2.417594  
1 1 1 -36 3  10 o 25.69163 0.6015940 6.617702       0.3088890 6.294060       0.4349946 6.946880       0.4386991 -1.269968      1.203188  
1 1 1 -36 3  11 o 32.34840 0.5989799 10.48155       0.3873840 10.17945       0.5395108 10.80306       0.5565752 -0.9615211     1.197960  
1 1 1 -36 3  12 f 6.152912 1.344879  0.3561108      0.1940780 0.1596129      0.2689686 0.5695423      0.2803185 -2.422499      2.689757  
1 1 1 -36 3  13 o 27.88397 0.6069867 7.759979       0.3376430 7.061147       0.4617920 8.562693       0.4949268 -2.687849      1.213973  
1 1 1 -36 3  14 o 21.99439 0.6491391 4.848419       0.2854635 4.691109       0.3991162 5.013180       0.4084585 -0.7307720     1.298278  
1 1 1 -36 3  15 o 21.02510 0.8832960 4.413074       0.3695720 3.843090       0.5022339 5.086199       0.5457858 -2.947420      1.766592  
1 1 1 -36 3  16 o 22.79634 0.6572776 5.212689       0.2995923 5.121345       0.4259323 5.302133       0.4214779 -0.3972015     1.314555  
1 1 1 -36 3  17 o 17.65129 0.7387475 3.128921       0.2600973 2.840926       0.3649385 3.426239       0.3707978 -1.656994      1.477495  
1 1 1 -36 3  18 o 8.978142 1.244125  0.8378003      0.2178545 0.6267025      0.3056729 1.055718       0.3105712 -2.516379      2.488251  
1 1 1 -36 3  19 o 11.41929 0.9914396 1.313370       0.2262658 1.273920       0.3227206 1.351512       0.3173241 -0.3409834     1.982879  
1 1 1 -36 3  20 f 22.70109 0.6611895 5.170828       0.3000476 5.038579       0.4271034 5.299700       0.4216127 -0.5759811     1.322379  
1 1 1 -36 3  21 o 31.04901 0.6316325 9.648748       0.3917908 10.02629       0.5708712 9.312581       0.5386807 1.144524       1.263265  
1 1 1 -36 3  22 o 10.51113 1.138026  1.133203       0.2323420 1.288399       0.3305952 0.9817318      0.3266036 1.597597       2.276051  
1 1 1 -36 3  23 o 24.78498 0.6693412 6.161091       0.3317583 6.216287       0.4732790 6.107767       0.4651799 0.2176056      1.338682  
1 1 1 -36 3  24 o 27.68677 0.6548687 7.680110       0.3622916 7.232057       0.5040052 8.159147       0.5211398 -1.671467      1.309737  
1 1 1 -36 3  25 o 28.27180 0.7246981 8.003106       0.4054714 7.889721       0.5342702 8.157120       0.6226743 -0.4568119     1.449396  
1 1 1 -36 3  26 o 12.33968 1.413145  1.717735       0.3052215 1.994950       0.3773486 1.193170       0.5190809 3.479142       2.826291  
1 1 1 -36 3  27 o 18.28809 0.9893144 3.073959       0.3408288 2.556280       0.4068782 4.291638       0.6240228 -4.690660      1.978629  
1 1 1 -36 3  28 o 29.61274 1.014620  8.821221       0.5994433 8.975672       0.8823374 8.688824       0.8169188 0.4680920      2.029240  
1 1 1 -36 3  29 o 22.71547 1.127277  5.241458       0.5082217 4.811094       0.7458956 5.614386       0.6943390 -1.782286      2.254553  
1 1 1 -36 3  30 o 31.58286 1.538901  10.05796       0.9720578 10.05796       0.9720578 ?              ?         ?              ?         
1 1 1 -36 3  31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 4  1  o 24.66753 0.9636563 6.124241       0.4751473 5.849166       0.6677563 6.406354       0.6762437 -1.127363      1.927313  
1 1 1 -36 4  2  o 15.26195 1.235464  2.358289       0.3760217 2.285926       0.5479189 2.422710       0.5169789 -0.4574537     2.470927  
1 1 1 -36 4  3  f 9.433072 1.368920  0.000000       0.000000  ?              ?         0.8955957      0.2582623 ?              ?         
1 1 1 -36 4  4  o 40.64402 0.8000175 16.58496       0.6501313 16.95825       0.9331883 16.23292       0.9062523 0.8869553      1.600035  
1 1 1 -36 4  5  o 22.22101 0.6694559 4.962089       0.2913625 4.996641       0.3764924 4.910498       0.4600528 0.2078323      1.338912  
1 1 1 -36 4  6  o 39.68216 0.6081746 15.77369       0.4824471 16.31101       0.6950478 15.27411       0.6701972 1.302700       1.216349  
1 1 1 -36 4  7  o 48.95495 0.6639139 24.01450       0.6496227 23.32840       0.8992545 24.76334       0.9394752 -1.458904      1.327828  
1 1 1 -36 4  8  o 7.695181 1.199922  0.6095654      0.1888018 0.3298827      0.2604438 0.9193254      0.2740905 -3.717653      2.399844  
1 1 1 -36 4  9  o 14.79684 0.8567159 2.176129       0.2505964 2.050903       0.3265935 2.355407       0.3907729 -1.015622      1.713432  
1 1 1 -36 4  10 o 14.92511 0.9122232 2.226889       0.2714738 2.027204       0.3685740 2.463682       0.4013620 -1.455070      1.824446  
1 1 1 -36 4  11 o 7.279829 1.325493  0.5476801      0.1993703 0.7528522      0.2897152 0.3631145      0.2747815 2.392908       2.650985  
1 1 1 -36 4  12 o 7.875723 1.249399  0.6551099      0.1930123 0.7887272      0.2719488 0.5194856      0.2739837 1.658833       2.498798  
1 1 1 -36 4  13 o 8.034020 1.216172  0.6632531      0.1942231 0.4796497      0.2675393 0.8678338      0.2824096 -2.492383      2.432345  
1 1 1 -36 4  14 o 21.91673 0.6388231 4.807076       0.2797077 4.516799       0.3866992 5.125592       0.4050729 -1.386133      1.277646  
1 1 1 -36 4  15 o 8.264750 1.256694  0.7142094      0.2020155 0.5845682      0.2791504 0.8567590      0.2927184 -1.614848      2.513388  
1 1 1 -36 4  16 f 14.78032 0.8153442 2.211649       0.2351160 1.623374       0.3259082 2.850083       0.3395178 -4.147274      1.630688  
1 1 1 -36 4  17 o 13.45038 0.8887455 1.810737       0.2358252 2.253127       0.3468139 1.430278       0.3216231 3.053648       1.777491  
1 1 1 -36 4  18 o 10.26462 1.110200  1.083415       0.2205072 1.244797       0.3116450 0.9216192      0.3120439 1.712355       2.220401  
1 1 1 -36 4  19 o 9.945724 1.159957  1.032823       0.2204694 1.262973       0.3086190 0.7929626      0.3150626 2.513962       2.319915  
1 1 1 -36 4  20 o 18.40438 0.7189789 3.398777       0.2646068 3.482220       0.3759341 3.316847       0.3725103 0.4486866      1.437958  
1 1 1 -36 4  21 o 18.30842 0.7348138 3.367340       0.2685551 3.116224       0.3785066 3.621902       0.3810951 -1.380543      1.469628  
1 1 1 -36 4  22 o 3.844276 1.238491  -0.1943731     0.2112613 -0.2569169     0.3012206 -0.1338251     0.2963755 -0.3019083     2.476982  
1 1 1 -36 4  23 o 22.84983 0.6783018 5.242554       0.3097051 5.036062       0.4407299 5.443989       0.4352988 -0.8935413     1.356604  
1 1 1 -36 4  24 o 21.33804 0.7131290 4.556440       0.3038510 4.808528       0.4452991 4.336802       0.4156516 1.100039       1.426258  
1 1 1 -36 4  25 o 15.79013 0.8462917 2.505205       0.2662305 2.809625       0.3826745 2.219650       0.3706280 1.865613       1.692583  
1 1 1 -36 4  26 o 33.06492 0.6522387 10.95297       0.4304739 10.02436       0.5983769 11.94909       0.6197495 -2.907068      1.304477  
1 1 1 -36 4  27 o 25.96998 0.6843467 6.775560       0.3548946 6.384676       0.5043458 7.158943       0.4994830 -1.491510      1.368693  
1 1 1 -36 4  28 o 23.06104 0.7361155 5.333507       0.3370636 4.509202       0.4662070 6.236279       0.4878920 -3.740707      1.472231  
1 1 1 -36 4  29 o 38.99809 0.8065924 15.03980       0.5995148 14.52112       0.7369840 16.05448       1.030792  -1.907730      1.613185  
1 1 1 -36 4  30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 5  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 5  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 5  3  f 35.24372 1.981992  12.58992       1.397055  12.58992       1.397055  ?              ?         ?              ?         
1 1 1 -36 5  4  o 26.22496 0.9852154 6.911792       0.5151415 7.702996       0.7446119 6.185470       0.7134285 2.885799       1.970431  
1 1 1 -36 5  5  o 29.44917 0.9535176 8.725852       0.5615009 8.491428       0.7883568 8.967211       0.7999341 -0.8050709     1.907035  
1 1 1 -36 5  6  o 12.28259 0.9251120 1.424003       0.2164911 1.832214       0.3836010 1.233218       0.2622466 2.410099       1.850224  
1 1 1 -36 5  7  o 7.581745 1.110829  0.5934742      0.1661372 0.7653946      0.2393926 0.4337399      0.2307524 2.275293       2.221657  
1 1 1 -36 5  8  o 22.61301 0.5879580 5.128960       0.2656054 4.832389       0.3747330 5.428364       0.3765190 -1.317505      1.175916  
1 1 1 -36 5  9  o 15.43661 0.6865342 2.391451       0.2117580 2.261622       0.2981782 2.523556       0.3007807 -0.8479748     1.373068  
1 1 1 -36 5  10 o 24.72209 0.5868464 6.125789       0.2901244 5.989157       0.4081254 6.265371       0.4125054 -0.5580044     1.173693  
1 1 1 -36 5  11 o 7.158443 1.249693  0.5395893      0.1783672 0.5980526      0.2499121 0.4788866      0.2546535 0.7792840      2.499387  
1 1 1 -36 5  12 o 17.63117 0.6655800 3.121953       0.2333579 2.703757       0.3259672 3.561601       0.3342234 -2.431425      1.331160  
1 1 1 -36 5  13 o 11.82693 0.8674330 1.405919       0.2051814 1.406316       0.2903061 1.405523       0.2900346 0.3298759E-02  1.734866  
1 1 1 -36 5  14 o 13.26966 0.8017673 1.769167       0.2126650 1.701582       0.3007965 1.836714       0.3007111 -0.5091934     1.603535  
1 1 1 -36 5  15 f 36.92494 0.6110724 13.66146       0.4511191 13.17710       0.6304070 14.16980       0.6458299 -1.341965      1.222145  
1 1 1 -36 5  16 o 5.665209 1.382635  0.2946614      0.1904681 0.2845886      0.2665250 0.3051749      0.2722929 -0.1423960     2.765269  
1 1 1 -36 5  17 o 36.47929 0.6192273 13.34240       0.4517520 13.30658       0.6419320 13.37754       0.6358590 -0.9817505E-01 1.238455  
1 1 1 -36 5  18 o 17.12068 0.7264523 2.939755       0.2486533 3.014566       0.3577020 2.869802       0.3458930 0.4207039      1.452905  
1 1 1 -36 5  19 o 8.809378 1.245956  0.8120272      0.2116911 0.7980208      0.3042957 0.8251630      0.2946883 -0.1670494     2.491913  
1 1 1 -36 5  20 o 17.92740 0.7347856 3.237736       0.2620454 2.856097       0.3708773 3.618188       0.3702997 -2.125597      1.469571  
1 1 1 -36 5  21 o 16.14340 0.7786592 2.619609       0.2509775 2.438201       0.3542226 2.802486       0.3556533 -1.127999      1.557318  
1 1 1 -36 5  22 o 46.96844 0.6785835 22.07459       0.6365641 20.99690       0.8730144 23.29803       0.9301776 -2.439919      1.357167  
1 1 1 -36 5  23 o 17.42225 0.7699366 3.048113       0.2679887 3.050093       0.3881944 3.046309       0.3704168 0.7404327E-02  1.539873  
1 1 1 -36 5  24 o 36.65000 0.6487386 13.47347       0.4754519 13.18679       0.6718168 13.76113       0.6729655 -0.7833633     1.297477  
1 1 1 -36 5  25 o 35.45852 0.6494057 12.55264       0.4594424 13.50398       0.6785504 11.74727       0.6243302 2.468395       1.298811  
1 1 1 -36 5  26 o 22.26974 0.7062325 4.987033       0.3138823 4.706108       0.4494595 5.254469       0.4385352 -1.233067      1.412465  
1 1 1 -36 5  27 o 8.243363 1.301159  0.7071944      0.2342051 0.2023354      0.3302719 1.217868       0.3321683 -5.498236      2.602317  
1 1 1 -36 5  28 o 31.53622 0.7732670 10.03921       0.4737307 10.21440       0.6050593 9.761707       0.7615201 0.7473526      1.546534  
1 1 1 -36 5  29 o 10.25534 2.375587  0.000000       0.000000  ?              ?         1.114524       0.4780777 ?              ?         
1 1 1 -36 5  30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 6  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 6  3  o 38.15873 1.385671  15.23952       0.9150444 15.76558       1.066967  13.77669       1.779219  2.840691       2.771343  
1 1 1 -36 6  4  o 36.70433 0.9532201 13.53121       0.6989949 13.00337       0.9616864 14.12238       1.017751  -1.511238      1.906440  
1 1 1 -36 6  5  o 45.21849 0.9932935 20.55546       0.8976312 21.53471       1.298495  19.65921       1.242256  2.060196       1.986587  
1 1 1 -36 6  6  o 11.17120 1.681462  1.287231       0.3758968 1.879040       0.5548776 0.7852720      0.5110230 4.877703       3.362925  
1 1 1 -36 6  7  o 13.44396 1.556686  1.876403       0.3950264 2.625959       0.5813627 1.233513       0.5384101 5.338093       3.113372  
1 1 1 -36 6  8  o 25.38957 1.001359  6.478802       0.5079446 6.869448       0.7371097 6.125555       0.7009386 1.455868       2.002718  
1 1 1 -36 6  9  o 12.64993 0.8846327 1.608293       0.2093237 1.611552       0.3682351 1.606737       0.2544299 -0.5962372E-02 1.769265  
1 1 1 -36 6  10 o 24.50437 0.5730966 6.001125       0.2803567 6.526575       0.4080732 5.531399       0.3858296 2.027395       1.146193  
1 1 1 -36 6  11 o 7.463506 1.154677  0.5841441      0.1678178 0.5242200      0.2360784 0.6453562      0.2386022 -0.7990756     2.309354  
1 1 1 -36 6  12 o 21.53119 0.6019909 4.633826       0.2587799 5.024609       0.3770033 4.285662       0.3558521 1.712811       1.203982  
1 1 1 -36 6  13 o 23.38324 0.5999446 5.482622       0.2805194 5.382810       0.3978404 5.581312       0.3955977 -0.4247894     1.199889  
1 1 1 -36 6  14 o 23.93463 0.6086391 5.740676       0.2908674 5.298385       0.4060940 6.206623       0.4168125 -1.895714      1.217278  
1 1 1 -36 6  15 f 41.81213 0.6321240 17.53176       0.5285986 17.40932       0.7476812 17.65411       0.7474214 -0.2927704     1.264248  
1 1 1 -36 6  16 o 25.71366 0.6093435 6.630265       0.3133059 6.558532       0.4460358 6.700127       0.4401852 -0.2762146     1.218687  
1 1 1 -36 6  17 o 22.72305 0.6320342 5.178517       0.2871885 5.076429       0.4064342 5.280315       0.4058582 -0.4487209     1.264068  
1 1 1 -36 6  18 o 64.04463 0.7942827 41.17569       1.017032  40.30846       1.415482  42.10118       1.462261  -1.390308      1.588565  
1 1 1 -36 6  19 o 23.08527 0.6470432 5.351243       0.2983480 5.064376       0.4236787 5.633417       0.4201985 -1.233040      1.294086  
1 1 1 -36 6  20 o 41.98887 0.6505386 17.68414       0.5461769 17.67103       0.7808401 17.69670       0.7642485 -0.3329849E-01 1.301077  
1 1 1 -36 6  21 o 26.47499 0.6400276 7.035394       0.3383830 6.916254       0.4898213 7.144162       0.4680148 -0.4339447     1.280055  
1 1 1 -36 6  22 o 44.14918 0.6678984 19.54805       0.5896361 19.03961       0.8269365 20.07390       0.8409837 -1.168995      1.335797  
1 1 1 -36 6  23 o 50.69128 0.7085021 25.72922       0.7174668 24.53296       0.9865516 27.07220       1.045297  -2.494244      1.417004  
1 1 1 -36 6  24 o 55.89197 0.7429910 31.33285       0.8300568 32.09750       1.199142  30.62939       1.150145  1.304394       1.485982  
1 1 1 -36 6  25 o 38.53025 0.6514249 14.87916       0.5017182 14.20637       0.7004144 15.58818       0.7190248 -1.790192      1.302850  
1 1 1 -36 6  26 o 32.36385 0.6522608 10.47082       0.4214443 11.09740       0.6188660 9.928952       0.5755166 1.798246       1.304522  
1 1 1 -36 6  27 o 13.98888 1.050449  1.941528       0.2892977 1.810633       0.3724762 2.140547       0.4592862 -1.156528      2.100898  
1 1 1 -36 6  28 o 28.63762 1.231160  0.000000       0.000000  ?              ?         8.245820       0.7051498 ?              ?         
1 1 1 -36 7  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 7  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 7  5  o 24.25045 1.076599  5.927782       0.5219951 5.893039       0.7281836 5.964506       0.7486675 -0.1418743     2.153198  
1 1 1 -36 7  6  o 35.57978 0.9844892 12.72121       0.6996436 13.66940       1.011478  11.85137       0.9687924 2.544559       1.968978  
1 1 1 -36 7  7  o 51.69314 1.050257  26.90892       1.085166  26.48510       1.504202  27.36890       1.567039  -0.8387527     2.100515  
1 1 1 -36 7  8  o 25.54083 1.029772  6.564946       0.5241404 5.834943       0.7279641 7.350768       0.7552835 -2.960590      2.059544  
1 1 1 -36 7  9  o 33.26119 0.9730064 11.13626       0.6471178 11.45315       0.9182084 10.82353       0.9121472 0.9450226      1.946013  
1 1 1 -36 7  10 o 30.23086 0.9737566 9.196740       0.5880143 9.838725       0.8409334 8.582552       0.8225275 2.073181       1.947513  
1 1 1 -36 7  11 o 9.142549 1.956107  0.8486819      0.3904779 1.060317       0.5801117 0.6733630      0.5279980 1.734440       3.912215  
1 1 1 -36 7  12 o 34.23174 0.8089530 11.75738       0.4820332 11.80371       0.9569781 11.74163       0.5579884 0.1218414E-01  1.617906  
1 1 1 -36 7  13 o 5.282891 1.279448  0.2528462      0.1646035 0.1826680      0.2294067 0.3273155      0.2363161 -0.9149399     2.558895  
1 1 1 -36 7  14 o 25.07249 0.5884540 6.306278       0.2948570 6.145566       0.4216745 6.460043       0.4124596 -0.6285057     1.176908  
1 1 1 -36 7  15 f 33.69636 0.6017386 11.36434       0.4050632 10.64025       0.5611011 12.15240       0.5853604 -2.240116      1.203477  
1 1 1 -36 7  16 o 64.22514 0.7918543 41.42566       1.016979  41.84176       1.453762  41.02687       1.423175  0.6282959      1.583709  
1 1 1 -36 7  17 o 37.03193 0.6196376 13.74051       0.4585941 14.01727       0.6637232 13.48768       0.6343719 0.7104568      1.239275  
1 1 1 -36 7  18 o 8.541901 1.182572  0.7616515      0.1967155 0.5663956      0.2784519 0.9561958      0.2779441 -2.402827      2.365145  
1 1 1 -36 7  19 o 44.48692 0.6579711 19.85206       0.5854057 19.77885       0.8300394 19.92452       0.8257547 -0.1644325     1.315942  
1 1 1 -36 7  20 o 7.166059 1.332613  0.5349666      0.2001459 0.7288949      0.2844525 0.3448190      0.2816661 2.339725       2.665225  
1 1 1 -36 7  21 o 8.990207 1.202506  0.8428432      0.2087894 1.154899       0.3011778 0.5541147      0.2897020 3.438930       2.405013  
1 1 1 -36 7  22 o 28.05764 0.6353886 7.903660       0.3561162 7.543507       0.5074695 8.253101       0.4998655 -1.265713      1.270777  
1 1 1 -36 7  23 f 6.109940 1.199303  0.2578195      0.2062684 -0.2901191     0.2945786 0.7849055      0.2889189 -5.113482      2.398606  
1 1 1 -36 7  24 o 27.22737 0.6827137 7.478881       0.3687382 7.060283       0.5486481 7.823728       0.4979759 -1.410402      1.365427  
1 1 1 -36 7  25 o 20.63516 0.7976163 4.278715       0.3258404 4.288918       0.4315172 4.265178       0.4970073 0.7040787E-01  1.595233  
1 1 1 -36 7  26 o 19.83132 0.8865110 3.954379       0.3515935 3.902459       0.4943314 4.007533       0.5001767 -0.2636166     1.773022  
1 1 1 -36 7  27 o 13.59993 1.718031  0.000000       0.000000  ?              ?         1.869436       0.4673018 ?              ?         
1 1 1 -36 8  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 8  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 8  7  o 16.64249 1.892963  2.804776       0.6300724 2.804776       0.6300724 ?              ?         ?              ?         
1 1 1 -36 8  8  o 25.26817 1.057373  6.437512       0.5340768 6.649305       0.7532234 6.223371       0.7573910 0.8439140      2.114746  
1 1 1 -36 8  9  o 8.357799 1.943458  0.6732511      0.3792801 0.8591529      0.5588095 0.5144607      0.5164568 1.531954       3.886915  
1 1 1 -36 8  10 f 18.82079 1.255294  3.587818       0.4654418 2.822712       0.6435306 4.427075       0.6739938 -4.253016      2.510589  
1 1 1 -36 8  11 o 18.75513 1.234713  3.570894       0.4606987 3.196885       0.6579320 3.930686       0.6453043 -1.960052      2.469426  
1 1 1 -36 8  12 o 7.916166 1.897956  0.5288597      0.4024774 -0.4795497E-01 0.6086915 0.9769620      0.5364975 -3.411239      3.795912  
1 1 1 -36 8  13 o 25.82969 1.084531  6.732230       0.5596471 6.400680       0.7940475 7.059493       0.7888988 -1.276670      2.169062  
1 1 1 -36 8  14 o 45.04691 1.038306  20.43480       0.9352344 19.93107       1.306724  20.96380       1.339113  -1.138020      2.076612  
1 1 1 -36 8  15 o 51.49295 1.075476  26.72566       1.107493  26.53077       1.554061  26.92677       1.578692  -0.3780098     2.150951  
1 1 1 -36 8  16 o 27.95295 0.9117531 7.817798       0.4705238 7.965698       0.8515210 7.752790       0.5645378 0.3177090      1.823506  
1 1 1 -36 8  17 o 8.694429 1.544919  0.9497358      0.2363105 0.2629688      0.6066796 1.072570       0.2565747 -3.268946      3.089839  
1 1 1 -36 8  18 f 35.69200 0.6142311 12.75313       0.4380957 12.09007       0.6071093 13.47353       0.6328112 -1.934193      1.228462  
1 1 1 -36 8  19 o 21.24084 0.6424830 4.541984       0.2716362 4.061066       0.3861668 5.012993       0.3821678 -2.241415      1.284966  
1 1 1 -36 8  20 o 30.62859 0.6161368 9.400139       0.3772328 9.569118       0.5440298 9.243650       0.5235357 0.5282307      1.232274  
1 1 1 -36 8  21 o 30.36217 0.6204221 9.216866       0.3761525 9.720533       0.5511843 8.777811       0.5146162 1.546915       1.240844  
1 1 1 -36 8  22 f 20.33104 0.7345666 4.144863       0.2970828 4.109531       0.3991485 4.188745       0.4448312 -0.1865616     1.469133  
1 1 1 -36 8  23 o 35.48745 0.8044248 12.65230       0.5708676 12.44226       0.8082813 12.86135       0.8063794 -0.5908623     1.608850  
1 1 1 -36 8  24 o 8.686968 1.452195  0.8036672      0.2488318 0.9035995      0.3398565 0.6881961      0.3653248 1.188960       2.904391  
1 1 1 -36 8  25 o 24.71829 1.149710  0.000000       0.000000  ?              ?         6.139304       0.5683773 ?              ?         
1 1 1 -36 9  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 9  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 9  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 9  11 o 7.822207 2.999797  0.4417700      0.6596656 0.4417700      0.6596656 ?              ?         ?              ?         
1 1 1 -36 9  12 o 27.63116 1.558138  7.699861       0.8610632 7.699861       0.8610632 ?              ?         ?              ?         
1 1 1 -36 9  13 f 15.97436 2.438106  2.787017       0.6060576 2.842287       0.6682832 2.531003       1.438292  1.537197       4.876211  
1 1 1 -36 9  14 o 25.16553 1.768577  6.405303       0.7259319 6.357356       0.8166096 6.585945       1.585045  -0.1345348     3.537155  
1 1 1 -36 9  15 o 26.79132 1.732718  7.169772       0.7618517 7.052820       0.8570902 7.610028       1.662934  -0.7098160     3.465437  
1 1 1 -36 9  16 o 36.11175 1.511173  13.55978       0.9409151 13.88667       1.092117  12.61831       1.853401  2.026707       3.022346  
1 1 1 -36 9  17 f 6.849418 2.882365  0.8235634E-01  0.6722293 0.8235634E-01  0.6722293 ?              ?         ?              ?         
1 1 1 -36 9  18 o 17.91757 2.207172  3.265209       0.7909428 3.265209       0.7909428 ?              ?         ?              ?         
1 1 1 -36 9  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 9  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 9  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 9  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 10 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 10 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 10 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 10 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -36 10 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 0  1  o 13.73387 1.146338  1.981998       0.3051303 2.083734       0.4156544 1.863098       0.4493518 -0.000000      0.000000  
1 1 1 -35 0  2  o 44.28722 0.8984574 19.70925       0.7943152 19.47762       1.116727  19.94646       1.130055  -0.000000      0.000000  
1 1 1 -35 0  3  o 34.01204 0.8356950 11.63232       0.5668867 11.48074       0.7933444 11.79047       0.8103230 -0.000000      0.000000  
1 1 1 -35 0  4  o 21.36676 0.9154037 4.630280       0.3878313 4.708082       0.5398234 4.547283       0.5575591 -0.000000      0.000000  
1 1 1 -35 0  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 0  7  f 10.65282 2.451746  1.307509       0.4541048 1.307509       0.4541048 1.307509       0.4541048 -0.000000      0.000000  
1 1 1 -35 0  8  o 3.963924 1.682304  0.7916582E-01  0.2697937 0.3534619      0.3509313 -0.3172606     0.4218845 -0.000000      0.000000  
1 1 1 -35 0  9  o 15.65364 1.076440  2.474069       0.3263795 2.010824       0.4296762 3.105922       0.5018157 -0.000000      0.000000  
1 1 1 -35 0  10 o 22.03346 0.9109941 4.923670       0.3978574 5.091357       0.5530314 4.743782       0.5727999 -0.000000      0.000000  
1 1 1 -35 0  11 o 3.719190 1.673511  -0.4737319E-01 0.2728114 -0.2740480     0.3572186 0.2698664      0.4225967 -0.000000      0.000000  
1 1 1 -35 0  12 o 10.45899 1.705381  1.297789       0.3057388 1.573038       0.4130351 0.9641719      0.4547252 -0.000000      0.000000  
1 1 1 -35 0  13 o 8.331085 2.004346  0.9215470      0.3017396 1.004481       0.3975231 0.8088099      0.4634780 -0.000000      0.000000  
1 1 1 -35 0  14 o 15.59554 1.169533  2.570724       0.3492709 2.870121       0.4696482 2.200225       0.5224470 -0.000000      0.000000  
1 1 1 -35 0  15 o 23.14369 0.9330904 5.437737       0.4272448 5.933898       0.6015810 4.932790       0.6068845 -0.000000      0.000000  
1 1 1 -35 0  16 o 3.864924 1.736238  0.7206895E-01  0.2830021 0.1363575      0.3617242 -0.2937841E-01 0.4543925 -0.000000      0.000000  
1 1 1 -35 0  17 o 62.13862 1.098651  38.81352       1.363375  39.12924       1.942744  38.50715       1.913790  -0.000000      0.000000  
1 1 1 -35 0  18 o 6.330879 2.145093  0.5904531      0.3063388 0.5543422      0.3983446 0.6427206      0.4792437 -0.000000      0.000000  
1 1 1 -35 0  19 f 26.18744 0.8997701 6.908275       0.4683559 6.626614       0.6440529 7.224394       0.6823122 -0.000000      0.000000  
1 1 1 -35 0  20 o 35.52361 0.8929036 12.68939       0.6323647 12.46286       0.8789825 12.93243       0.9104446 -0.000000      0.000000  
1 1 1 -35 0  21 o 33.51938 0.9010482 11.31167       0.6020676 11.55147       0.8532122 11.07384       0.8497029 -0.000000      0.000000  
1 1 1 -35 0  22 o 8.027046 2.093167  0.8559517      0.3305948 0.5706239      0.4460945 1.203574       0.4923895 -0.000000      0.000000  
1 1 1 -35 0  23 o 13.61929 1.498772  1.935093       0.3673407 1.485685       0.4771347 2.589147       0.5756084 -0.000000      0.000000  
1 1 1 -35 0  24 o 8.237444 2.121113  0.9419051      0.3388672 1.143277       0.4537452 0.6879483      0.5095570 -0.000000      0.000000  
1 1 1 -35 0  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 0  26 o 19.96511 1.107288  4.062728       0.4361426 3.861183       0.5973896 4.292773       0.6382316 -0.000000      0.000000  
1 1 1 -35 0  27 f 4.166622 1.885617  0.4618114E-01  0.3482394 0.1778311      0.4647213 -0.1224153     0.5259039 -0.000000      0.000000  
1 1 1 -35 0  28 o 16.23493 1.314855  2.781391       0.4116303 3.013335       0.5579019 2.504266       0.6098235 -0.000000      0.000000  
1 1 1 -35 0  29 o 16.38000 1.285640  2.820239       0.4073566 3.038609       0.5536912 2.562577       0.6014457 -0.000000      0.000000  
1 1 1 -35 0  30 o 8.336756 2.287006  0.9290400      0.3836271 0.6116642      0.5096759 1.343856       0.5826864 -0.000000      0.000000  
1 1 1 -35 0  31 f 18.09082 1.215255  3.362559       0.4309286 3.216725       0.5817555 3.539863       0.6414601 -0.000000      0.000000  
1 1 1 -35 0  32 o 14.92280 1.661468  2.517826       0.4186422 3.175323       0.5713207 1.755426       0.6152116 -0.000000      0.000000  
1 1 1 -35 0  33 o 16.58618 1.336169  2.881963       0.4312391 2.977603       0.5895134 2.771874       0.6324794 -0.000000      0.000000  
1 1 1 -35 0  34 o 3.787013 1.806711  -0.1837079     0.3750646 -0.2260359     0.4996406 -0.1290636     0.5676959 -0.000000      0.000000  
1 1 1 -35 0  35 o 6.326924 2.303167  0.5769711      0.4025890 0.8335372      0.5335870 0.2378923      0.6134171 -0.000000      0.000000  
1 1 1 -35 0  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 1  1  o 40.88279 0.6073977 16.75223       0.4966133 16.66032       0.6978531 16.84653       0.7068684 -0.2265129     1.214795  
1 1 1 -35 1  2  o 40.11038 0.6097834 16.12645       0.4891530 15.97173       0.6921414 16.28084       0.6913930 -0.3854218     1.219567  
1 1 1 -35 1  3  o 24.14899 0.8196931 5.836663       0.3945052 6.568934       0.5747072 5.184137       0.5425129 2.861393       1.639386  
1 1 1 -35 1  4  o 47.36454 0.9078668 22.54388       0.8598739 22.88242       1.229699  22.21997       1.202836  0.6939087      1.815734  
1 1 1 -35 1  5  o 46.88358 0.6512380 22.03751       0.6106099 22.37780       0.8679222 21.70402       0.8592094 0.7173042      1.302476  
1 1 1 -35 1  6  f 22.43405 0.6243700 5.046316       0.2793402 5.560858       0.3996118 4.554631       0.3906345 2.241388       1.248740  
1 1 1 -35 1  7  f 27.73497 0.7435082 7.780981       0.3856806 7.898342       0.4706271 7.540983       0.6730027 0.6766987      1.487016  
1 1 1 -35 1  8  f 18.33046 1.004899  3.397031       0.3664560 3.047655       0.5242617 3.730821       0.5124348 -1.866020      2.009798  
1 1 1 -35 1  9  o 36.86407 0.8712184 13.61055       0.6413714 12.83684       0.8792077 14.49060       0.9376861 -2.232288      1.742437  
1 1 1 -35 1  10 o 20.86891 0.6566602 4.366298       0.2740624 4.413663       0.3874590 4.318872       0.3877067 0.2271461      1.313320  
1 1 1 -35 1  11 o 35.80140 0.6100971 12.83914       0.4367360 12.57913       0.6093389 13.11382       0.6262857 -0.7446175     1.220194  
1 1 1 -35 1  12 o 33.75148 0.6039752 11.41559       0.4076995 11.43449       0.5760596 11.39662       0.5770900 0.5622482E-01  1.207950  
1 1 1 -35 1  13 o 16.05225 0.7568948 2.578275       0.2409460 2.144405       0.3310520 3.066984       0.3513514 -2.870582      1.513790  
1 1 1 -35 1  14 o 30.66754 0.6059227 9.423833       0.3716137 9.592750       0.5281238 9.258182       0.5229959 0.5448456      1.211845  
1 1 1 -35 1  15 o 35.27444 0.6169428 12.42987       0.4345408 13.25751       0.6362910 11.70649       0.5948655 2.193333       1.233886  
1 1 1 -35 1  16 o 10.46755 1.123898  1.139092       0.2231703 0.8446352      0.3154742 1.434057       0.3157469 -2.955684      2.247796  
1 1 1 -35 1  17 o 23.02699 0.6556251 5.320445       0.3016371 5.083217       0.4287303 5.552970       0.4244605 -1.020575      1.311250  
1 1 1 -35 1  18 o 41.60544 0.6405982 17.31507       0.5324746 16.53611       0.7329082 18.18588       0.7749116 -1.977139      1.281196  
1 1 1 -35 1  19 f 16.18453 0.7954317 2.629247       0.2571057 2.817917       0.3666557 2.446733       0.3606242 1.145734       1.590863  
1 1 1 -35 1  20 o 15.46014 0.8636843 2.431519       0.2618084 1.881500       0.3700869 2.982526       0.3704193 -3.560798      1.727369  
1 1 1 -35 1  21 o 29.76892 0.6351582 8.879153       0.3780349 9.046324       0.5431936 8.722131       0.5264439 0.5422440      1.270316  
1 1 1 -35 1  22 o 21.81922 0.6989056 4.723454       0.3018848 5.785713       0.4510123 3.861231       0.4063339 4.403288       1.397811  
1 1 1 -35 1  23 o 15.46323 1.153321  2.431359       0.3536178 2.684679       0.4882500 2.151882       0.5128378 1.729038       2.306642  
1 1 1 -35 1  24 o 22.29769 0.7033349 4.980018       0.3132958 5.328080       0.4519372 4.658000       0.4346997 1.499865       1.406670  
1 1 1 -35 1  25 o 22.77929 0.7105807 5.170155       0.3208598 6.226257       0.4738217 4.275695       0.4360559 4.275501       1.421161  
1 1 1 -35 1  26 o 11.33458 1.134577  1.299771       0.2558355 1.449798       0.3612985 1.148899       0.3623157 1.327603       2.269153  
1 1 1 -35 1  27 f 29.60168 0.9608157 8.806132       0.5684940 9.005437       0.8213530 8.622848       0.7876495 0.6390800      1.921631  
1 1 1 -35 1  28 o 12.30159 1.098563  1.527822       0.2685713 1.748280       0.3838885 1.316474       0.3758728 1.753125       2.197126  
1 1 1 -35 1  29 f 38.62572 0.6718227 14.93923       0.5185710 15.73014       0.7499850 14.21472       0.7178127 1.956749       1.343645  
1 1 1 -35 1  30 o 33.86658 0.6718265 11.50081       0.4549957 11.29277       0.6379508 11.71619       0.6491167 -0.6233902     1.343653  
1 1 1 -35 1  31 o 11.18585 1.300570  1.317749       0.2723126 1.856852       0.3922900 0.8163929      0.3783070 4.785883       2.601140  
1 1 1 -35 1  32 o 20.43188 0.8063256 4.195527       0.3293248 4.054990       0.4668936 4.334677       0.4645861 -0.6848984     1.612651  
1 1 1 -35 1  33 o 17.67383 0.8886006 3.141754       0.3136488 2.925380       0.4402692 3.364734       0.4469388 -1.241459      1.777201  
1 1 1 -35 1  34 o 31.63921 0.7042995 10.00655       0.4446699 10.97422       0.6503202 9.156862       0.6093899 2.864895       1.408599  
1 1 1 -35 1  35 f 25.50811 0.7520008 6.506147       0.3827305 5.934484       0.5243038 7.158259       0.5599812 -2.392241      1.504002  
1 1 1 -35 1  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 2  1  f 22.43181 0.7700683 5.050832       0.3453079 5.046249       0.4807063 5.055717       0.4963477 -0.1837540E-01 1.540137  
1 1 1 -35 2  2  f 22.99983 0.7777302 5.301225       0.3571220 5.170271       0.4883575 5.451747       0.5235730 -0.6058140     1.555460  
1 1 1 -35 2  3  o 52.92688 0.6862285 28.04192       0.7254320 27.12301       0.9951926 29.08377       1.059672  -1.842567      1.372457  
1 1 1 -35 2  4  o 29.64183 0.5797836 8.805405       0.3435981 9.107383       0.4875360 8.507395       0.4843220 1.011652       1.159567  
1 1 1 -35 2  5  o 20.05579 0.6400006 4.038975       0.2563067 4.240380       0.3592854 3.830261       0.3657457 1.023365       1.280001  
1 1 1 -35 2  6  o 21.74672 0.6293344 4.747203       0.2732887 5.027988       0.3851511 4.462484       0.3878402 1.300583       1.258669  
1 1 1 -35 2  7  o 13.49355 0.8031187 1.827484       0.2166145 1.809847       0.3006760 1.846515       0.3123349 -0.1337919     1.606237  
1 1 1 -35 2  8  o 52.32549 0.6894432 27.44259       0.7212078 26.88410       1.002412  28.04193       1.038425  -1.100948      1.378886  
1 1 1 -35 2  9  o 18.01282 0.6950606 3.246555       0.2500767 3.106137       0.3431813 3.405540       0.3651651 -0.8278084     1.390121  
1 1 1 -35 2  10 f 54.20905 0.8788134 29.50273       0.8901667 29.46916       1.080828  29.57353       1.569472  -0.7369995E-02 1.757627  
1 1 1 -35 2  11 o 51.18869 0.9878768 26.32348       1.010759  27.24195       1.460350  25.47889       1.400392  1.709812       1.975754  
1 1 1 -35 2  12 f 39.24276 0.8962270 15.47123       0.7033925 15.59882       0.9984995 15.34554       0.9910370 0.3213387      1.792454  
1 1 1 -35 2  13 o 48.32101 0.8315958 23.47141       0.7535987 23.35913       1.317110  23.52605       0.9188643 -0.2393570     1.663192  
1 1 1 -35 2  14 o 15.36303 0.8207610 2.366306       0.2417841 3.365198       0.3601887 1.547034       0.3262008 5.911860       1.641522  
1 1 1 -35 2  15 f 19.32949 0.6891212 3.744608       0.2662350 3.938700       0.3808644 3.559139       0.3723077 0.9806156      1.378242  
1 1 1 -35 2  16 o 34.18112 0.6154479 11.69159       0.4203594 12.11916       0.6104509 11.30601       0.5796967 1.185616       1.230896  
1 1 1 -35 2  17 o 26.29527 0.6256945 6.923108       0.3286073 6.430311       0.4574394 7.448581       0.4723616 -1.934311      1.251389  
1 1 1 -35 2  18 o 16.58183 0.7722420 2.747500       0.2555600 2.977996       0.3755322 2.548674       0.3487814 1.290285       1.544484  
1 1 1 -35 2  19 f 23.55075 0.6650013 5.569235       0.3124039 5.092797       0.4409341 6.049459       0.4426828 -2.030823      1.330003  
1 1 1 -35 2  20 o 12.64060 0.9589208 1.604622       0.2421509 1.647805       0.3526160 1.566081       0.3331213 0.3192863      1.917842  
1 1 1 -35 2  21 o 12.41315 1.278012  1.700791       0.2851172 1.146222       0.4467642 2.081853       0.3703375 -3.958081      2.556024  
1 1 1 -35 2  22 f 14.37010 0.8772945 2.077461       0.2517995 1.971563       0.3582270 2.180879       0.3540071 -0.7291183     1.754589  
1 1 1 -35 2  23 o 15.27534 0.8545652 2.341431       0.2609002 2.461517       0.3757060 2.229589       0.3625811 0.7566528      1.709130  
1 1 1 -35 2  24 f 40.49700 0.6547123 16.44340       0.5302569 16.24818       0.7467130 16.64198       0.7531210 -0.4852715     1.309425  
1 1 1 -35 2  25 o 10.74185 1.157629  1.162911       0.2483424 1.079115       0.3467348 1.251176       0.3558615 -0.7985525     2.315259  
1 1 1 -35 2  26 o 33.26315 0.6578142 11.04788       0.4366970 11.98482       0.6413444 10.23798       0.5962806 2.619261       1.315628  
1 1 1 -35 2  27 o 26.47358 0.6868680 7.018632       0.3633514 7.438658       0.5245969 6.631326       0.5037497 1.521616       1.373736  
1 1 1 -35 2  28 o 35.57626 0.7567509 12.32309       0.5179901 14.06977       0.8829905 11.40659       0.6396093 3.701542       1.513502  
1 1 1 -35 2  29 o 19.94313 0.8057695 3.995918       0.3201038 3.540572       0.4471471 4.474585       0.4584549 -2.339609      1.611539  
1 1 1 -35 2  30 o 35.91843 0.6766189 12.88433       0.4850065 13.93957       0.7136275 11.97850       0.6611769 2.721592       1.353238  
1 1 1 -35 2  31 o 5.984950 1.573015  0.2783443      0.2529612 0.2203344      0.3570476 0.3368071      0.3584387 -0.5372615     3.146029  
1 1 1 -35 2  32 o 18.79620 0.8287901 3.552477       0.3113449 3.425708       0.4424857 3.676781       0.4381625 -0.6687794     1.657580  
1 1 1 -35 2  33 o 17.07714 0.8991961 2.936757       0.3067210 2.812144       0.4381662 3.056490       0.4295017 -0.7173748     1.798392  
1 1 1 -35 2  34 o 33.26247 0.6927818 11.10335       0.4607540 10.85192       0.6531646 11.35239       0.6500556 -0.7528305     1.385564  
1 1 1 -35 2  35 o 14.98179 1.026370  2.269005       0.3051302 2.618722       0.4346320 1.929130       0.4284723 2.299893       2.052740  
1 1 1 -35 2  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 3  1  o 38.96867 0.5960048 15.21982       0.4644194 15.18750       0.6500665 15.25350       0.6637228 -0.8283234E-01 1.192010  
1 1 1 -35 3  2  o 20.33748 0.6111096 4.143890       0.2484699 4.077099       0.3455773 4.215371       0.3575052 -0.3383064     1.222219  
1 1 1 -35 3  3  o 39.63970 0.6025267 15.73922       0.4774799 15.43344       0.6636707 16.06733       0.6874752 -0.7963943     1.205053  
1 1 1 -35 3  4  o 28.23493 0.5760787 7.921680       0.3239454 7.162685       0.4357348 8.859570       0.4843712 -2.998764      1.152157  
1 1 1 -35 3  5  o 24.91124 0.5893716 6.223078       0.2934218 6.474206       0.4138762 5.969299       0.4160546 1.013699       1.178743  
1 1 1 -35 3  6  o 21.70425 0.6167047 4.726444       0.2674487 4.905102       0.3754824 4.542460       0.3810381 0.8361816      1.233409  
1 1 1 -35 3  7  o 29.86724 0.5850337 8.936368       0.3493878 8.779886       0.4878002 9.101215       0.5006691 -0.5362453     1.170067  
1 1 1 -35 3  8  o 8.578998 1.137792  0.7657672      0.1879224 0.7671570      0.2601720 0.7642512      0.2717293 0.2595901E-01  2.275584  
1 1 1 -35 3  9  f 16.04846 0.7100077 2.582600       0.2278235 2.545762       0.3175781 2.621660       0.3270110 -0.2350006     1.420015  
1 1 1 -35 3  10 o 14.14193 0.7812787 2.006952       0.2209516 1.975676       0.3097667 2.039346       0.3152511 -0.2241840     1.562557  
1 1 1 -35 3  11 o 25.00098 0.6085673 6.258514       0.3037223 6.810918       0.4366413 5.740695       0.4227518 2.138571       1.217135  
1 1 1 -35 3  12 o 41.02486 0.6286687 16.84092       0.5153683 17.62605       0.7477520 16.13047       0.7112957 1.817951       1.257337  
1 1 1 -35 3  13 o 8.883579 1.433652  0.7219718      0.2386642 0.5092230      0.2856976 1.213337       0.4341852 -3.771365      2.867305  
1 1 1 -35 3  14 o 15.03466 1.223856  2.263970       0.3663132 2.590967       0.5422196 1.989416       0.4968401 1.989012       2.447711  
1 1 1 -35 3  15 o 48.35873 0.9830064 23.51858       0.9507284 23.52322       1.341464  23.51390       1.347623  0.1090240E-01  1.966013  
1 1 1 -35 3  16 f 18.67977 0.9512532 3.519416       0.3193785 3.481584       0.6006577 3.534328       0.3771043 -0.1842918     1.902506  
1 1 1 -35 3  17 o 11.15907 1.119493  1.325695       0.2307032 0.8835126      0.3334276 1.731816       0.3195423 -3.943979      2.238986  
1 1 1 -35 3  18 o 15.85513 1.042496  2.504596       0.3288584 2.217685       0.4411993 2.863274       0.4933025 -2.024414      2.084993  
1 1 1 -35 3  19 f 26.17924 0.6316798 6.862402       0.3305455 7.109445       0.4773678 6.634851       0.4581482 0.9038296      1.263360  
1 1 1 -35 3  20 f 26.81336 0.6451014 7.197977       0.3449101 6.454116       0.4783782 8.003306       0.4977515 -2.886127      1.290203  
1 1 1 -35 3  21 o 19.92900 0.7256286 3.986803       0.2890662 3.870969       0.4110954 4.100087       0.4065451 -0.5755653     1.451257  
1 1 1 -35 3  22 f 48.72980 0.6898606 23.81577       0.6723093 23.53171       0.9468858 24.10456       0.9547409 -0.5865784     1.379721  
1 1 1 -35 3  23 o 30.90521 0.6416550 9.498884       0.3949873 10.66373       0.5890273 8.547095       0.5324419 3.416277       1.283310  
1 1 1 -35 3  24 o 12.44392 0.9990967 1.561465       0.2480508 1.448493       0.3527968 1.671912       0.3488303 -0.8985825     1.998193  
1 1 1 -35 3  25 o 52.35773 0.7190348 27.47170       0.7524036 28.27525       1.089490  26.73904       1.040330  1.459229       1.438070  
1 1 1 -35 3  26 o 13.00995 1.010233  1.703265       0.2627848 1.759652       0.3735049 1.647995       0.3697906 0.4282951      2.020465  
1 1 1 -35 3  27 o 6.426930 1.518941  0.3719021      0.2376822 0.5599727      0.3440564 0.2002100      0.3287338 1.893931       3.037883  
1 1 1 -35 3  28 o 18.17395 0.8217048 3.315388       0.2985870 3.416668       0.4279196 3.219290       0.4168304 0.5409565      1.643410  
1 1 1 -35 3  29 o 25.68806 0.7082614 6.604534       0.3633909 6.933537       0.5309346 6.314584       0.4984288 1.199419       1.416523  
1 1 1 -35 3  30 o 6.969207 1.713122  0.4478740      0.3037785 0.6219471      0.3733272 0.1067596      0.5226052 1.557762       3.426244  
1 1 1 -35 3  31 o 13.02811 1.095379  1.710085       0.2796637 2.198547       0.4098868 1.284635       0.3825366 3.500242       2.190758  
1 1 1 -35 3  32 o 6.791844 1.599745  0.4450707      0.2545693 0.4683071      0.3651427 0.4230951      0.3550980 0.2600021      3.199490  
1 1 1 -35 3  33 o 15.25015 0.9863181 2.342300       0.3006697 2.318371       0.4310112 2.364985       0.4196391 -0.1556282     1.972636  
1 1 1 -35 3  34 o 8.831944 1.628249  0.8331685      0.2945802 0.6403486      0.4334205 0.9987121      0.4015960 -1.800191      3.256499  
1 1 1 -35 3  35 o 10.65245 1.855636  1.208074       0.3929604 1.229813       0.5448609 1.184509       0.5672765 0.2060432      3.711272  
1 1 1 -35 3  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 4  1  o 17.04778 0.6371709 2.919965       0.2168003 3.066717       0.3025971 2.765178       0.3107699 0.8855972      1.274342  
1 1 1 -35 4  2  o 35.06197 0.5762331 12.32022       0.4040459 12.50564       0.5717080 12.13519       0.5711069 0.5282097      1.152466  
1 1 1 -35 4  3  o 13.50615 0.7165042 1.832867       0.1932478 1.910053       0.2700247 1.751828       0.2766841 0.5868206      1.433008  
1 1 1 -35 4  4  o 18.40371 0.6248983 3.395015       0.2299911 3.335819       0.3239315 3.455189       0.3265980 -0.3239422     1.249797  
1 1 1 -35 4  5  o 23.35437 0.5840565 5.464209       0.2726312 5.197768       0.3820473 5.740675       0.3891687 -1.161407      1.168113  
1 1 1 -35 4  6  o 48.26493 0.6554367 23.35581       0.6326597 23.68414       0.8988859 23.03350       0.8906034 0.6728210      1.310873  
1 1 1 -35 4  7  o 8.973952 1.057573  0.8238677      0.1852646 0.8338401      0.2535978 0.8124544      0.2713051 0.2594795      2.115145  
1 1 1 -35 4  8  o 17.43723 0.6701836 3.049372       0.2336962 3.061145       0.3283924 3.037293       0.3326414 0.6903267E-01  1.340367  
1 1 1 -35 4  9  f 11.15909 0.9261669 1.276988       0.2015029 1.576009       0.2819570 0.9648439      0.2880778 2.739653       1.852334  
1 1 1 -35 4  10 o 6.739330 1.173452  0.4453825      0.1887360 0.8253555      0.2628246 0.4081100E-01  0.2711985 4.631515       2.346905  
1 1 1 -35 4  11 o 16.72340 0.6987913 2.805167       0.2337120 2.842782       0.3311909 2.767855       0.3298507 0.2238102      1.397583  
1 1 1 -35 4  12 o 6.880122 1.280600  0.4855926      0.1920304 0.7491202      0.2718269 0.2230508      0.2713180 3.193111       2.561200  
1 1 1 -35 4  13 o 31.92803 0.6613746 10.28615       0.4182633 10.76923       0.5621974 9.687292       0.6259527 1.703392       1.322749  
1 1 1 -35 4  14 o 51.52446 0.9444417 26.67959       0.9729992 26.13198       1.357915  27.25742       1.394887  -1.084629      1.888883  
1 1 1 -35 4  15 o 17.21838 0.7234175 2.977133       0.2481000 3.329218       0.3544701 2.639011       0.3473704 2.003176       1.446835  
1 1 1 -35 4  16 o 32.67211 0.6110036 10.69745       0.3992168 10.59601       0.5598513 10.80239       0.5694261 -0.3145866     1.222007  
1 1 1 -35 4  17 o 49.24539 0.8581529 24.47264       0.7879035 24.67463       0.9570654 24.04783       1.387936  0.7149887      1.716306  
1 1 1 -35 4  18 o 22.47584 1.040785  5.107799       0.4655549 4.596250       0.6651917 5.598959       0.6518008 -2.233667      2.081571  
1 1 1 -35 4  19 o 18.89776 1.128293  3.519267       0.4213458 4.357013       0.6506708 2.914293       0.5529342 3.792894       2.256586  
1 1 1 -35 4  20 f 31.07150 0.9525397 9.657519       0.5890280 8.399756       0.8041483 11.11359       0.8652236 -4.354174      1.905079  
1 1 1 -35 4  21 o 25.65944 0.8702970 6.686668       0.4011969 6.452362       0.7503121 6.780483       0.4747682 -0.6913738     1.740594  
1 1 1 -35 4  22 f 21.31553 0.9474193 4.583602       0.3576036 4.538184       0.6889164 4.600353       0.4183845 -0.2013168     1.894839  
1 1 1 -35 4  23 f 5.841549 1.449155  0.2693964      0.2251287 0.3888682E-01  0.3240368 0.4844844      0.3130097 -2.098659      2.898310  
1 1 1 -35 4  24 o 22.43063 0.6938248 5.041816       0.3108540 5.133021       0.4529457 4.960611       0.4273940 0.3804092      1.387650  
1 1 1 -35 4  25 o 7.791373 1.452711  0.6394318      0.2312459 0.5378116      0.3337713 0.7332388      0.3206834 -1.114725      2.905422  
1 1 1 -35 4  26 o 7.198092 1.500162  0.4895374      0.2463581 0.8166758      0.3668900 0.2209243      0.3324556 3.206255       3.000324  
1 1 1 -35 4  27 o 19.38821 0.8729590 3.735792       0.3279235 3.942332       0.5413308 3.616065       0.4121518 0.8160076      1.745918  
1 1 1 -35 4  28 o 5.529007 1.610276  0.9119875E-01  0.2884167 0.1227392E-01  0.4004328 0.1762831      0.4157648 -0.6597390     3.220551  
1 1 1 -35 4  29 o 20.28355 0.9992043 4.154395       0.4039821 4.360298       0.5584006 3.928275       0.5851732 1.071234       1.998409  
1 1 1 -35 4  30 f 16.00246 1.178876  2.600002       0.3749902 2.780051       0.5152041 2.397161       0.5468413 1.205343       2.357752  
1 1 1 -35 4  31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 4  32 o 28.81137 0.9225747 8.281791       0.5293297 7.405932       0.7136061 9.353233       0.7892700 -3.361835      1.845149  
1 1 1 -35 4  33 o 19.47427 1.117664  3.830305       0.4302853 4.619396       0.6218140 3.105284       0.5960350 3.880466       2.235328  
1 1 1 -35 4  34 o 29.26667 0.9358090 8.619799       0.5473870 9.012927       0.7760229 8.230499       0.7722354 1.335855       1.871618  
1 1 1 -35 4  35 o 29.87761 1.844238  0.000000       0.000000  ?              ?         9.035077       1.102029  ?              ?         
1 1 1 -35 5  1  o 23.25849 0.5849147 5.350483       0.2690820 4.973052       0.3507376 5.890436       0.4195088 -1.962597      1.169829  
1 1 1 -35 5  2  o 25.87241 0.8062447 6.614834       0.3817313 6.988856       0.7078756 6.461468       0.4532887 0.9723434      1.612489  
1 1 1 -35 5  3  o 21.85130 0.7618705 5.046438       0.3017135 5.467244       0.3664884 4.161409       0.5314934 3.015341       1.523741  
1 1 1 -35 5  4  o 41.86163 0.6601715 17.66708       0.5491540 18.63713       0.7488834 16.53872       0.8076880 2.515041       1.320343  
1 1 1 -35 5  5  o 20.85151 0.6707546 4.311828       0.2778392 3.961027       0.3677383 4.778428       0.4241121 -1.951660      1.341509  
1 1 1 -35 5  6  o 25.87408 0.6977032 6.714737       0.3610083 6.853887       0.5123446 6.577528       0.5087599 0.5334949      1.395406  
1 1 1 -35 5  7  o 51.52526 0.9081232 26.68287       0.9357789 26.45901       1.315363  26.91228       1.331568  -0.4366074     1.816246  
1 1 1 -35 5  8  o 14.91098 0.7720928 2.244496       0.2283909 2.114247       0.3394448 2.352235       0.3087236 -0.8032656     1.544186  
1 1 1 -35 5  9  o 19.89338 0.6195224 3.966271       0.2463493 3.785995       0.3456833 4.152308       0.3511625 -0.9199314     1.239045  
1 1 1 -35 5  10 o 4.413338 1.233950  0.7551076E-01  0.1666499 -0.4013813E-01 0.2259401 0.2134950      0.2467956 -1.374874      2.467899  
1 1 1 -35 5  11 o 20.45702 0.6322360 4.170699       0.2567939 4.938340       0.3780296 3.512974       0.3499199 3.479855       1.264472  
1 1 1 -35 5  12 o 6.561672 1.327779  0.4391175      0.1852744 0.3375626      0.2551382 0.5524149      0.2694853 -1.385486      2.655557  
1 1 1 -35 5  13 o 24.57360 0.6088592 6.052019       0.2991319 5.833884       0.4204693 6.275565       0.4256510 -0.8979893     1.217718  
1 1 1 -35 5  14 o 29.51656 0.6000093 8.732262       0.3541909 8.694469       0.5024006 8.769607       0.4994159 -0.1276798     1.200019  
1 1 1 -35 5  15 o 42.55871 0.6380216 18.15882       0.5430660 18.11251       0.7680913 18.20512       0.7679313 -0.1088257     1.276043  
1 1 1 -35 5  16 o 71.17068 0.8504047 50.88291       1.210473  50.98030       1.714717  50.78617       1.709032  0.1352997      1.700809  
1 1 1 -35 5  17 o 31.23905 0.6122568 9.767893       0.3822532 10.20840       0.5528510 9.364409       0.5291058 1.347624       1.224514  
1 1 1 -35 5  18 o 38.77559 0.6251107 15.07050       0.4847465 15.26390       0.6904267 14.88250       0.6807461 0.4904480      1.250221  
1 1 1 -35 5  19 o 54.14021 0.7187433 29.39774       0.7781197 28.88780       1.088008  29.93165       1.113282  -0.9599609     1.437487  
1 1 1 -35 5  20 o 19.51681 0.7120111 3.815235       0.2770286 3.406872       0.3838203 4.259310       0.4002513 -2.181253      1.424022  
1 1 1 -35 5  21 f 57.98893 0.7566759 33.70835       0.8770096 32.63166       1.213982  34.88366       1.268362  -1.932602      1.513352  
1 1 1 -35 5  22 o 55.28037 0.9397919 30.84999       1.033317  29.35619       1.521097  32.13010       1.408098  -2.532345      1.879584  
1 1 1 -35 5  23 f 11.08316 2.356210  0.6576132      0.3709053 0.4860733      0.3880157 2.474946       1.262944  -8.001726      4.712419  
1 1 1 -35 5  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 5  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 5  26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 5  27 o 29.92328 1.585631  9.027341       0.9489454 9.027341       0.9489454 ?              ?         ?              ?         
1 1 1 -35 5  28 o 10.28086 2.178546  1.093678       0.4869236 0.8883868      0.6747096 1.316809       0.7034150 -1.688898      4.357091  
1 1 1 -35 5  29 o 11.99141 1.755155  1.769071       0.3777170 0.8729937      0.6999765 2.137181       0.4486416 -5.137655      3.510309  
1 1 1 -35 5  30 f 15.77472 1.401723  2.637111       0.3638577 2.318767       0.7544627 2.733595       0.4153529 -1.425651      2.803445  
1 1 1 -35 5  31 o 23.17386 1.039747  5.556346       0.4202911 5.111921       0.8124743 5.718725       0.4911059 -1.389900      2.079493  
1 1 1 -35 5  32 o 22.25705 1.250158  5.054935       0.5510867 4.420909       0.7989653 5.630317       0.7611198 -2.728508      2.500315  
1 1 1 -35 5  33 o 30.23849 0.9531010 9.260281       0.5080077 9.074277       0.9829977 9.328062       0.5933910 -0.5072346     1.906202  
1 1 1 -35 5  34 o 30.78486 1.300413  0.000000       0.000000  ?              ?         9.533559       0.8006609 ?              ?         
1 1 1 -35 5  35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 6  1  o 28.43979 0.9819171 8.143928       0.5583973 8.298934       0.7876782 7.987325       0.7917234 0.5488167      1.963834  
1 1 1 -35 6  2  o 62.34710 0.8277243 39.08605       1.020862  38.81144       1.560343  39.29156       1.349856  -0.4264603     1.655449  
1 1 1 -35 6  3  o 33.56417 0.5559772 11.27204       0.3729300 11.86769       0.5386888 10.72382       0.5167974 1.701168       1.111954  
1 1 1 -35 6  4  o 22.99000 0.5361941 5.294948       0.2465233 5.387662       0.3500026 5.203668       0.3472865 0.3998241      1.072388  
1 1 1 -35 6  5  o 62.90644 0.7656893 39.64557       0.9622080 41.24837       1.402934  38.22197       1.322188  2.391491       1.531379  
1 1 1 -35 6  6  o 27.38534 0.5554148 7.477759       0.3033539 6.777604       0.4140933 8.288725       0.4456581 -2.755083      1.110830  
1 1 1 -35 6  7  o 7.113903 1.292364  0.5166822      0.1743864 0.5604910      0.3157230 0.4974495      0.2091920 0.4452090      2.584729  
1 1 1 -35 6  8  o 30.49372 0.5653315 9.286571       0.3441790 8.618826       0.4722948 10.04276       0.5026029 -2.331030      1.130663  
1 1 1 -35 6  9  o 23.06989 0.5771855 5.332507       0.2662789 5.452788       0.3788207 5.215036       0.3743693 0.5147209      1.154371  
1 1 1 -35 6  10 o 27.76819 0.5717754 7.726372       0.3175329 7.739783       0.4510666 7.713196       0.4470787 0.4736900E-01  1.143551  
1 1 1 -35 6  11 o 14.16845 0.7120606 2.013662       0.2017604 2.049186       0.2866566 1.978787       0.2840261 0.2480230      1.424121  
1 1 1 -35 6  12 f 19.12629 0.6295921 3.652841       0.2401343 4.069578       0.3509222 3.285855       0.3293095 2.045790       1.259184  
1 1 1 -35 6  13 o 36.57112 0.6018364 13.40502       0.4401921 13.39927       0.6238726 13.41073       0.6211874 -0.1603317E-01 1.203673  
1 1 1 -35 6  14 f 40.67363 0.6227513 16.58360       0.5065846 16.46744       0.7148556 16.70079       0.7179924 -0.2864265     1.245503  
1 1 1 -35 6  15 o 37.92251 0.6158693 14.41385       0.4670646 14.14734       0.6569068 14.68632       0.6642119 -0.7096291     1.231739  
1 1 1 -35 6  16 o 20.52521 0.6559424 4.219207       0.2689464 3.938101       0.3739381 4.520448       0.3870985 -1.416693      1.311885  
1 1 1 -35 6  17 o 46.97026 0.6683921 22.09564       0.6273533 22.79144       0.9104979 21.46673       0.8656253 1.403473       1.336784  
1 1 1 -35 6  18 o 44.23264 0.7028886 19.47279       0.6133153 20.52678       0.9599374 18.74575       0.7972589 1.987885       1.405777  
1 1 1 -35 6  19 o 11.41867 1.126211  1.384370       0.2399950 1.025219       0.3576322 1.678613       0.3237064 -3.011544      2.252422  
1 1 1 -35 6  20 o 44.12598 0.8713269 19.55761       0.7688439 19.11891       1.077464  20.01271       1.097430  -1.008938      1.742654  
1 1 1 -35 6  21 o 31.96927 0.8038914 10.24098       0.5134669 9.684563       0.7088841 10.85512       0.7447464 -1.824398      1.607783  
1 1 1 -35 6  22 o 44.75650 0.8324774 19.98223       0.7334344 19.38233       0.9498135 20.86823       1.154298  -1.622437      1.664955  
1 1 1 -35 6  23 o 74.47385 1.112320  55.58495       1.619212  54.46515       2.070958  57.34613       2.597197  -1.804489      2.224641  
1 1 1 -35 6  24 o 43.98809 0.6732354 19.40546       0.5922669 19.39054       0.8408738 19.42015       0.8343479 -0.3465271E-01 1.346471  
1 1 1 -35 6  25 o 66.47669 0.8263243 44.37689       1.098496  43.78269       1.539095  44.99387       1.568334  -0.9054718     1.652649  
1 1 1 -35 6  26 o 58.15598 0.7651412 33.87918       0.8885952 35.20377       1.300985  32.72087       1.216583  2.119732       1.530282  
1 1 1 -35 6  27 o 43.58280 0.6804501 19.05243       0.5929757 18.48984       0.8348494 19.62523       0.8423901 -1.301357      1.360900  
1 1 1 -35 6  28 o 23.29956 0.7072199 5.454134       0.3291388 5.210823       0.4696322 5.689013       0.4614216 -1.027584      1.414440  
1 1 1 -35 6  29 o 18.81261 0.7785443 3.551632       0.2928000 3.698415       0.4201486 3.413031       0.4082702 0.7561798      1.557089  
1 1 1 -35 6  30 o 23.91132 0.7180157 5.738117       0.3430696 5.748804       0.4959276 5.728311       0.4750901 0.3907585E-01  1.436031  
1 1 1 -35 6  31 o 16.35361 0.9110489 2.676604       0.2947121 3.269295       0.4333720 2.166696       0.4019689 3.364094       1.822098  
1 1 1 -35 6  32 o 29.68126 0.6960663 8.833594       0.4130470 8.513707       0.5765776 9.170824       0.5920011 -1.104340      1.392133  
1 1 1 -35 6  33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 6  34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 7  1  o 49.81501 1.030671  24.98027       1.025902  24.49424       1.415330  25.51835       1.489173  -1.008698      2.061343  
1 1 1 -35 7  2  o 47.38513 1.010302  22.61618       0.9571970 22.68456       1.339065  22.54473       1.368786  0.1550102      2.020604  
1 1 1 -35 7  3  o 48.12257 1.015989  23.31405       0.9776546 23.94229       1.395560  22.70859       1.370018  1.275551       2.031977  
1 1 1 -35 7  4  o 72.37621 1.259192  52.93571       1.822425  52.79893       2.553304  53.07777       2.601980  -0.1781387     2.518385  
1 1 1 -35 7  5  o 10.00687 1.886977  1.063550       0.3871764 0.9080318      0.5573137 1.208629       0.5382824 -1.327049      3.773954  
1 1 1 -35 7  6  o 21.52450 0.8382210 4.375781       0.2772924 4.229813       0.3039559 5.099978       0.6770327 -1.952417      1.676442  
1 1 1 -35 7  7  o 59.08309 0.7324123 35.01051       0.8651104 34.44415       1.202962  35.61716       1.245024  -0.9856873     1.464825  
1 1 1 -35 7  8  f 11.38949 0.6866587 1.300249       0.1562716 1.380190       0.2238958 1.224312       0.2182166 0.6834307      1.373317  
1 1 1 -35 7  9  o 35.91434 0.5784320 12.92526       0.4154735 12.97994       0.5895861 12.87132       0.5855711 0.1507034      1.156864  
1 1 1 -35 7  10 o 12.72574 0.6825717 1.624118       0.1737048 1.657984       0.2464860 1.590705       0.2448336 0.2640934      1.365143  
1 1 1 -35 7  11 o 29.09710 0.8477111 8.335799       0.4561521 8.074629       0.5450988 8.945997       0.8331981 -1.444092      1.695422  
1 1 1 -35 7  12 o 45.70959 0.6465400 20.87509       0.5899112 19.78776       0.8042119 22.14160       0.8679503 -2.565697      1.293080  
1 1 1 -35 7  13 o 35.47131 0.5966651 12.60009       0.4230967 12.10282       0.5896885 13.12767       0.6074027 -1.442291      1.193330  
1 1 1 -35 7  14 o 34.76080 0.5972950 12.04855       0.4141597 11.02878       0.5640295 13.24171       0.6101000 -3.177021      1.194590  
1 1 1 -35 7  15 o 39.18340 0.6604266 15.45835       0.5152751 14.48481       0.7490538 16.33286       0.7099367 -2.363865      1.320853  
1 1 1 -35 7  16 o 28.14903 0.7102755 7.831059       0.3961746 8.817403       0.6133584 7.124980       0.5189517 2.991390       1.420551  
1 1 1 -35 7  17 o 33.54002 0.7618251 11.27983       0.5108015 10.89305       0.7102990 11.69410       0.7351041 -1.189999      1.523650  
1 1 1 -35 7  18 f 14.05228 0.9319325 1.992081       0.2606440 2.212522       0.3680831 1.770381       0.3691317 1.573415       1.863865  
1 1 1 -35 7  19 o 17.10083 0.7906535 2.990370       0.2638245 3.240741       0.3466404 2.645671       0.4067308 1.750235       1.581307  
1 1 1 -35 7  20 o 16.78049 0.7519330 2.816876       0.2490830 3.480879       0.3651019 2.238739       0.3406781 3.697111       1.503866  
1 1 1 -35 7  21 o 7.831551 1.269925  0.6452640      0.2029847 0.8676476      0.2816204 0.4048155      0.2928354 2.898986       2.539850  
1 1 1 -35 7  22 o 21.53856 0.6661737 4.658486       0.2862786 4.275684       0.4039915 5.044595       0.4057324 -1.784702      1.332347  
1 1 1 -35 7  23 o 23.76234 0.6577472 5.643855       0.3120839 6.038933       0.4566833 5.297704       0.4274701 1.555288       1.315494  
1 1 1 -35 7  24 f 21.79016 0.6921226 4.764498       0.3008245 4.318857       0.4211540 5.228708       0.4298391 -2.086370      1.384245  
1 1 1 -35 7  25 o 50.94594 0.7111511 26.03054       0.7243620 26.46211       1.040824  25.62516       1.008735  0.8160591      1.422302  
1 1 1 -35 7  26 o 22.26519 0.6948602 4.968991       0.3092806 5.145662       0.4453740 4.804446       0.4298183 0.7636662      1.389720  
1 1 1 -35 7  27 o 20.43046 0.7195036 4.168007       0.2930681 4.658370       0.4305362 3.744606       0.4000614 2.230896       1.439007  
1 1 1 -35 7  28 o 33.41726 0.6597140 11.20252       0.4406382 11.17834       0.6341616 11.22508       0.6127051 -0.7349014E-01 1.319428  
1 1 1 -35 7  29 o 26.96083 0.6857557 7.307106       0.3684020 6.555750       0.5190782 8.069688       0.5229414 -2.806995      1.371511  
1 1 1 -35 7  30 o 15.66067 0.8952308 2.481688       0.2782409 2.150543       0.3963846 2.803340       0.3906618 -2.085446      1.790462  
1 1 1 -35 7  31 o 45.37549 0.7041414 20.66153       0.6387736 20.59421       0.9152272 20.72548       0.8919474 -0.1486435     1.408283  
1 1 1 -35 7  32 o 14.48961 1.205099  2.143581       0.3437201 2.568089       0.4851233 1.715660       0.4870698 2.942095       2.410198  
1 1 1 -35 7  33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 8  1  o 13.86226 1.663250  2.039072       0.4319203 1.202054       0.5970898 2.957813       0.6255594 -6.472705      3.326499  
1 1 1 -35 8  2  o 21.84272 1.143277  4.815318       0.4993993 4.904562       0.7083032 4.727098       0.7042291 0.4050598      2.286553  
1 1 1 -35 8  3  o 8.184004 1.866052  0.5388706      0.3893132 1.147200       0.5763696 0.2844808E-01  0.5279546 4.401706       3.732105  
1 1 1 -35 8  4  o 42.50883 1.006362  18.19386       0.8554605 18.62654       1.219566  17.77476       1.200272  0.9970779      2.012725  
1 1 1 -35 8  5  o 22.52723 1.129873  5.071969       0.5058042 4.346032       0.6827655 5.954968       0.7530130 -3.551939      2.259746  
1 1 1 -35 8  6  o 48.29833 1.036107  23.48732       1.000114  23.29372       1.385625  23.69786       1.444991  -0.4037857     2.072214  
1 1 1 -35 8  7  o 13.55846 1.606561  1.895789       0.4230735 2.203041       0.6119429 1.614458       0.5855611 2.359041       3.213122  
1 1 1 -35 8  8  o 24.19315 1.093481  5.905898       0.5284500 5.670101       0.7552662 6.132050       0.7396601 -0.9586525     2.186962  
1 1 1 -35 8  9  o 6.094581 1.790610  0.4140726E-01  0.3762034 -0.2936266     0.5603341 0.3163757      0.5076264 -1.426626      3.581219  
1 1 1 -35 8  10 o 28.29073 0.5365803 8.000617       0.3032092 7.475109       0.4185582 8.580917       0.4398381 -1.951769      1.073161  
1 1 1 -35 8  11 o 23.26521 0.5473443 5.423934       0.2544412 5.121068       0.3578189 5.733719       0.3618838 -1.316162      1.094689  
1 1 1 -35 8  12 f 25.51205 0.5586599 6.520492       0.2850209 6.652863       0.4058092 6.391621       0.4004059 0.5113182      1.117320  
1 1 1 -35 8  13 o 37.48593 0.6818582 14.24864       0.5025533 13.13869       0.7676720 15.08107       0.6648096 -2.606419      1.363716  
1 1 1 -35 8  14 o 58.95956 0.9957605 34.91875       1.172889  33.70868       1.612892  36.27681       1.708680  -2.156487      1.991521  
1 1 1 -35 8  15 o 10.68369 0.9656837 1.146725       0.2033853 0.9023268      0.2791416 1.423289       0.2969437 -2.434317      1.931367  
1 1 1 -35 8  16 o 24.00360 0.6513698 5.721292       0.3088342 5.443303       0.4020869 6.121233       0.4822853 -1.400423      1.302740  
1 1 1 -35 8  17 o 27.45307 0.5934358 7.544322       0.3256050 7.936273       0.4692443 7.180361       0.4521797 1.374458       1.186872  
1 1 1 -35 8  18 o 16.20810 0.7017587 2.630960       0.2272912 2.773065       0.3288772 2.501022       0.3144825 0.8369360      1.403517  
1 1 1 -35 8  19 o 22.09033 0.6342562 4.883790       0.2798341 5.050446       0.4088739 4.736943       0.3838050 0.7059841      1.268512  
1 1 1 -35 8  20 o 34.42326 0.6194666 11.87745       0.4264179 11.96411       0.6091772 11.79420       0.5970962 0.2450943      1.238933  
1 1 1 -35 8  21 f 16.81926 0.7281064 2.842096       0.2446238 2.723532       0.3493746 2.956124       0.3426248 -0.6925735     1.456213  
1 1 1 -35 8  22 o 39.52147 0.6421828 15.64501       0.5072313 16.08932       0.7346080 15.24017       0.7012230 1.069294       1.284366  
1 1 1 -35 8  23 o 22.82138 0.6543745 5.216802       0.2981383 4.793326       0.4144193 5.671094       0.4292333 -1.920845      1.308749  
1 1 1 -35 8  24 o 43.66557 0.6683932 19.08908       0.5829920 19.81782       0.8507121 18.44378       0.8005251 1.565319       1.336786  
1 1 1 -35 8  25 o 23.35539 0.6734499 5.478203       0.3142083 5.257072       0.4486904 5.690996       0.4401480 -0.9303684     1.346900  
1 1 1 -35 8  26 o 18.09878 0.7729375 3.283601       0.2771798 3.926739       0.4033958 2.708378       0.3815027 3.361664       1.545875  
1 1 1 -35 8  27 o 38.66878 0.6579581 14.99975       0.5087789 14.69063       0.7185741 15.31050       0.7204739 -0.8011894     1.315916  
1 1 1 -35 8  28 o 14.45331 0.9100431 2.101741       0.2619119 2.367478       0.3757513 1.850623       0.3652698 1.785646       1.820086  
1 1 1 -35 8  29 o 18.34063 0.7849883 3.381858       0.2875883 3.211875       0.4087224 3.548535       0.4047296 -0.9185619     1.569977  
1 1 1 -35 8  30 o 51.08274 0.7953453 26.17801       0.8032076 26.00760       1.057075  26.41078       1.235494  -0.3599815     1.590691  
1 1 1 -35 8  31 o 15.43469 1.098213  2.409529       0.3379574 2.525613       0.4676756 2.282658       0.4889198 0.7928715      2.196425  
1 1 1 -35 8  32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 9  1  o 23.23102 1.166738  5.448690       0.5419295 5.492067       0.7590619 5.403594       0.7739636 0.1946831      2.333476  
1 1 1 -35 9  2  o 40.13493 1.027348  16.19968       0.8234735 15.77058       1.129225  16.68704       1.203451  -1.123104      2.054696  
1 1 1 -35 9  3  o 18.88982 1.336350  3.603162       0.5019335 4.169322       0.7300542 3.095634       0.6912190 2.829195       2.672701  
1 1 1 -35 9  4  o 16.31592 1.447325  2.710152       0.4704133 2.453376       0.6687481 2.961648       0.6618356 -1.560102      2.894651  
1 1 1 -35 9  5  o 56.95540 1.120409  32.64006       1.274466  34.55943       1.862591  30.95032       1.747632  3.135841       2.240818  
1 1 1 -35 9  6  o 48.41845 1.064587  23.61720       1.030460  24.62000       1.475618  22.66272       1.439629  2.011635       2.129173  
1 1 1 -35 9  7  o 48.46521 1.056470  23.65865       1.023557  23.28811       1.421750  24.05732       1.474761  -0.7798042     2.112940  
1 1 1 -35 9  8  o 27.85403 1.074180  7.821808       0.5980578 7.499753       0.8442112 8.146271       0.8473606 -1.159725      2.148359  
1 1 1 -35 9  9  o 22.45907 1.200100  5.097181       0.5367006 4.498485       0.7504325 5.724052       0.7678870 -2.723469      2.400200  
1 1 1 -35 9  10 f 17.50778 1.356679  3.095951       0.4742038 3.367499       0.6871532 2.849043       0.6552356 1.470425       2.713359  
1 1 1 -35 9  11 o 20.68061 1.656462  0.000000       0.000000  ?              ?         4.315792       0.6851331 ?              ?         
1 1 1 -35 9  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 9  13 f 47.17718 1.028364  22.24958       0.9036527 22.85748       1.612066  21.97104       1.091214  0.8168335      2.056727  
1 1 1 -35 9  14 o 17.39338 0.5955942 3.008305       0.2047284 2.412154       0.2772476 3.723187       0.3036036 -3.765161      1.191188  
1 1 1 -35 9  15 o 63.44913 0.7845235 40.42017       0.9955416 40.32115       1.405174  40.51996       1.410659  -0.1556664     1.569047  
1 1 1 -35 9  16 o 7.476621 1.936007  0.4072720      0.4077335 -0.4577355E-01 0.6137739 0.7651217      0.5454913 -2.461281      3.872015  
1 1 1 -35 9  17 o 21.96463 0.6046547 4.831485       0.2654117 4.569777       0.3696805 5.109884       0.3812861 -1.227859      1.209309  
1 1 1 -35 9  18 o 24.31094 0.6042240 5.866916       0.2922062 6.764339       0.4368422 5.140235       0.3930951 3.334099       1.208448  
1 1 1 -35 9  19 o 6.683893 1.302673  0.4654618      0.1798860 0.4404580      0.2525521 0.4912099      0.2562833 -0.3358550     2.605346  
1 1 1 -35 9  20 f 4.617136 1.286348  0.1206424      0.1756394 0.1524964      0.2440976 0.8644409E-01  0.2529204 0.2630296      2.572696  
1 1 1 -35 9  21 o 24.87430 0.6261747 6.173520       0.3106317 6.848165       0.4563866 5.591231       0.4239983 2.521698       1.252349  
1 1 1 -35 9  22 o 8.396422 1.203911  0.7275830      0.1987774 0.4758200      0.2728791 1.012207       0.2901418 -3.256491      2.407821  
1 1 1 -35 9  23 o 38.60596 0.6394674 14.91619       0.4929835 15.48030       0.7218608 14.42311       0.6748763 1.361748       1.278935  
1 1 1 -35 9  24 o 10.63683 1.029809  1.141010       0.2167583 0.9331326      0.3002685 1.367216       0.3132270 -2.037148      2.059618  
1 1 1 -35 9  25 o 6.848747 1.345543  0.4794567      0.2034964 0.7124327      0.2858127 0.2399288      0.2898036 2.773893       2.691085  
1 1 1 -35 9  26 o 6.707794 1.405959  0.4517428      0.2108729 0.6337570      0.2983084 0.2699457      0.2981305 2.100304       2.811918  
1 1 1 -35 9  27 o 14.36213 0.8695239 2.071291       0.2490953 2.288170       0.3587404 1.869375       0.3461451 1.455304       1.739048  
1 1 1 -35 9  28 o 16.55469 0.8086259 2.747417       0.2670703 3.031926       0.3864770 2.487376       0.3694845 1.641349       1.617252  
1 1 1 -35 9  29 o 29.36132 0.8182430 8.661278       0.4804841 8.586102       0.6785585 8.736876       0.6804597 -0.2563725     1.636486  
1 1 1 -35 9  30 o 13.44720 1.668877  0.000000       0.000000  ?              ?         1.826403       0.4488343 ?              ?         
1 1 1 -35 10 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 10 2  o 19.30889 3.085264  3.854004       1.191460  3.854004       1.191460  ?              ?         ?              ?         
1 1 1 -35 10 3  o 11.33658 1.986527  1.357531       0.4531832 1.722918       0.6614339 1.034244       0.6221629 2.801527       3.973054  
1 1 1 -35 10 4  o 56.12458 1.126433  31.77809       1.264296  32.05552       1.781343  31.49649       1.794702  0.5017014      2.252866  
1 1 1 -35 10 5  o 13.79158 1.752161  1.984256       0.4696575 1.861891       0.6904233 2.089646       0.6407472 -1.080514      3.504322  
1 1 1 -35 10 6  o 68.06323 1.241077  46.78291       1.688580  48.31452       2.435272  45.36467       2.343404  2.138634       2.482154  
1 1 1 -35 10 7  o 41.70515 1.055161  17.52012       0.8798249 18.11609       1.261299  16.95530       1.227895  1.382813       2.110323  
1 1 1 -35 10 8  o 46.83341 1.063153  22.09428       0.9954333 22.73365       1.432080  21.49657       1.384629  1.307983       2.126305  
1 1 1 -35 10 9  o 23.81707 1.662469  0.000000       0.000000  ?              ?         5.728365       0.7919028 ?              ?         
1 1 1 -35 10 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 10 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 10 12 o 57.51968 1.157040  33.40121       1.330605  34.39228       1.881850  32.41033       1.881671  1.722797       2.314080  
1 1 1 -35 10 13 o 17.26361 1.430492  3.059684       0.4866346 2.511006       0.6975160 3.580013       0.6792576 -3.102445      2.860983  
1 1 1 -35 10 14 o 61.12827 1.176976  37.72436       1.438749  37.68544       2.018325  37.76457       2.051477  -0.5517197E-01 2.353952  
1 1 1 -35 10 15 o 25.47229 0.9548985 6.564080       0.4230843 6.458205       0.8363441 6.600493       0.4904714 -0.3572159     1.909797  
1 1 1 -35 10 16 o 11.95194 0.8156092 1.396349       0.1840604 1.551409       0.3254373 1.323420       0.2231862 0.9334383      1.631218  
1 1 1 -35 10 17 o 15.69587 0.6729085 2.418919       0.2089406 2.944275       0.3227272 2.039807       0.2741528 2.873195       1.345817  
1 1 1 -35 10 18 o 28.30714 1.118537  8.075161       0.6283005 6.782611       0.8682504 9.496082       0.9103458 -4.781338      2.237073  
1 1 1 -35 10 19 o 22.06273 0.6109985 4.872913       0.2690227 4.439776       0.3731101 5.341923       0.3882527 -2.042202      1.221997  
1 1 1 -35 10 20 o 22.45067 0.6229407 5.062720       0.2791789 4.743289       0.3970869 5.374956       0.3925888 -1.407494      1.245881  
1 1 1 -35 10 21 o 45.58220 0.6721037 20.81297       0.6122574 19.91542       0.8471377 21.79451       0.8858871 -2.054642      1.344207  
1 1 1 -35 10 22 o 44.17757 0.6639161 19.54401       0.5860195 20.34002       0.8523530 18.83043       0.8070174 1.700962       1.327832  
1 1 1 -35 10 23 o 14.66157 0.7978609 2.163101       0.2322207 2.509471       0.3330115 1.835236       0.3239936 2.297541       1.595722  
1 1 1 -35 10 24 o 59.13940 0.7694854 35.11605       0.9100686 35.36222       1.296664  34.87707       1.277610  0.4065552      1.538971  
1 1 1 -35 10 25 o 39.15999 0.6540880 15.38020       0.5121987 15.01190       0.7220409 15.75327       0.7266983 -0.9458389     1.308176  
1 1 1 -35 10 26 o 57.91499 0.7675816 33.65711       0.8887487 34.42327       1.278744  32.94120       1.236101  1.271519       1.535163  
1 1 1 -35 10 27 o 26.56921 0.7972981 7.091236       0.4236342 6.990998       0.5996012 7.191145       0.5986184 -0.3768482     1.594596  
1 1 1 -35 10 28 o 32.45355 1.140694  0.000000       0.000000  ?              ?         10.58156       0.7403916 ?              ?         
1 1 1 -35 11 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 11 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 11 5  o 40.96877 1.600322  16.93570       1.311265  16.93570       1.311265  ?              ?         ?              ?         
1 1 1 -35 11 6  o 11.48599 2.064748  1.406623       0.4749075 1.477394       0.6932122 1.344031       0.6519286 0.5312157      4.129497  
1 1 1 -35 11 7  o 41.40971 1.531021  0.000000       0.000000  ?              ?         17.28635       1.267983  ?              ?         
1 1 1 -35 11 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 11 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 11 10 o 14.61233 1.866852  2.270318       0.5245202 2.722378       0.7245485 1.772533       0.7603102 3.495089       3.733703  
1 1 1 -35 11 11 o 25.25147 1.163578  6.436923       0.5876189 6.410926       0.8267991 6.463457       0.8353035 -0.1015511     2.327157  
1 1 1 -35 11 12 o 6.025633 1.871282  -0.1604407     0.4301419 0.1137303E-01  0.6642274 -0.2845325     0.5644940 1.211657       3.742563  
1 1 1 -35 11 13 o 25.77484 1.167528  6.702896       0.6011007 6.248365       0.8386527 7.183084       0.8619976 -1.806406      2.335057  
1 1 1 -35 11 14 o 17.02861 1.524607  2.886508       0.5079229 3.872275       0.7758344 2.147081       0.6719390 5.026349       3.049214  
1 1 1 -35 11 15 o 39.22492 1.074780  15.51018       0.8430406 15.39688       1.180524  15.62809       1.204311  -0.2883110     2.149561  
1 1 1 -35 11 16 o 14.89317 1.738452  2.327847       0.4971775 1.860004       0.7067086 2.786294       0.6995759 -3.336786      3.476904  
1 1 1 -35 11 17 o 38.04674 1.076942  14.59274       0.8191462 14.65431       1.176495  14.53481       1.141207  0.1475258      2.153883  
1 1 1 -35 11 18 o 26.66719 1.157466  7.161726       0.6159433 6.517865       0.8507593 7.870986       0.8929202 -2.524891      2.314931  
1 1 1 -35 11 19 o 23.29498 1.291151  5.568887       0.5910386 4.466699       0.8468201 6.615780       0.8253047 -4.619532      2.582302  
1 1 1 -35 11 20 o 29.62201 1.125375  8.858130       0.6662496 8.586404       0.9494901 9.121692       0.9351130 -0.9075184     2.250750  
1 1 1 -35 11 21 o 29.35868 1.124943  8.688557       0.6601950 8.882051       0.9524424 8.509608       0.9159403 0.6242466      2.249886  
1 1 1 -35 11 22 o 27.97321 1.028105  8.203733       0.5150734 7.136941       0.9401653 8.661242       0.6156937 -2.802383      2.056211  
1 1 1 -35 11 23 o 62.77071 1.030117  39.47593       1.187256  40.23575       2.169306  39.15102       1.418571  0.6784286      2.060233  
1 1 1 -35 11 24 f 15.57062 1.081053  2.313689       0.3161865 2.825736       0.5744526 2.091139       0.3787154 2.306540       2.162105  
1 1 1 -35 11 25 o 57.75983 1.010280  33.58596       1.166749  32.77443       1.627332  34.44441       1.673709  -1.433842      2.020560  
1 1 1 -35 11 26 o 26.98057 1.097370  0.000000       0.000000  ?              ?         7.311333       0.5921533 ?              ?         
1 1 1 -35 12 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 12 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 12 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 12 10 o 33.29837 1.662559  11.19516       1.107210  11.19516       1.107210  ?              ?         ?              ?         
1 1 1 -35 12 11 f 30.86313 1.611590  9.611460       0.9947745 9.611460       0.9947745 ?              ?         ?              ?         
1 1 1 -35 12 12 o 30.24868 1.170633  9.114937       0.7033805 8.154463       0.9318603 10.38679       1.072325  -3.649611      2.341265  
1 1 1 -35 12 13 f 22.80977 1.301895  5.270736       0.5931157 5.059888       0.8489527 5.471784       0.8289884 -0.9092445     2.603791  
1 1 1 -35 12 14 o 11.34778 1.951490  1.355535       0.4852165 0.5607516      0.6978191 2.099502       0.6751422 -6.010529      3.902980  
1 1 1 -35 12 15 o 36.36538 1.110560  13.28430       0.8060230 14.47350       1.180933  12.24717       1.102846  3.039871       2.221119  
1 1 1 -35 12 16 o 28.71145 1.165112  8.278333       0.6672356 7.729125       0.9043141 8.934591       0.9885263 -2.075272      2.330225  
1 1 1 -35 12 17 o 17.90560 1.558288  3.274997       0.5539111 3.727134       0.7835086 2.823228       0.7831886 2.523968       3.116575  
1 1 1 -35 12 18 o 8.583969 3.181349  0.6096250      0.7253082 0.6096250      0.7253082 ?              ?         ?              ?         
1 1 1 -35 12 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 12 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 12 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 12 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 12 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 13 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 13 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 13 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -35 13 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 0  1  o 21.79510 0.8709961 4.800292       0.3769023 4.645948       0.5221590 4.968181       0.5445889 -0.000000      0.000000  
1 1 1 -34 0  2  f 7.224326 1.923097  0.6915889      0.2713479 0.4831359      0.3615898 0.9603040      0.4105426 -0.000000      0.000000  
1 1 1 -34 0  3  o 16.46236 1.007546  2.768743       0.3263450 2.632220       0.4448707 2.927807       0.4801939 -0.000000      0.000000  
1 1 1 -34 0  4  o 32.29736 0.8389104 10.45993       0.5394222 11.20881       0.7886951 9.801732       0.7394046 -0.000000      0.000000  
1 1 1 -34 0  5  o 34.13240 0.8419878 11.70308       0.5729594 12.13147       0.8258535 11.30553       0.7955686 -0.000000      0.000000  
1 1 1 -34 0  6  o 5.972713 2.010145  0.5055487      0.2737223 0.3809848      0.3578373 0.6812297      0.4249638 -0.000000      0.000000  
1 1 1 -34 0  7  o 31.76969 0.8335878 10.14237       0.5277886 9.779818       0.7328196 10.53311       0.7607765 -0.000000      0.000000  
1 1 1 -34 0  8  o 34.00315 0.8385936 11.61288       0.5684558 12.13190       0.8184882 11.12924       0.7900988 -0.000000      0.000000  
1 1 1 -34 0  9  o 9.080963 1.764163  0.9817408      0.2860764 0.6472657      0.3782153 1.428966       0.4373410 -0.000000      0.000000  
1 1 1 -34 0  10 f 13.77759 1.173866  1.994847       0.3137306 2.095026       0.4299242 1.880734       0.4588514 -0.000000      0.000000  
1 1 1 -34 0  11 o 24.38965 0.8742751 6.011112       0.4233553 6.105824       0.5842159 5.906376       0.6143495 -0.000000      0.000000  
1 1 1 -34 0  12 o 18.58419 0.9668204 3.522498       0.3545259 3.597105       0.4876196 3.438835       0.5163650 -0.000000      0.000000  
1 1 1 -34 0  13 o 25.62030 0.8580756 6.625830       0.4371653 6.876408       0.6143560 6.368805       0.6222091 -0.000000      0.000000  
1 1 1 -34 0  14 o 5.248230 1.973271  0.3347082      0.2879897 0.1357962      0.3717562 0.6332244      0.4554195 -0.000000      0.000000  
1 1 1 -34 0  15 o 21.50779 0.9459073 4.698570       0.4025345 4.839028       0.5549422 4.542608       0.5847676 -0.000000      0.000000  
1 1 1 -34 0  16 o 4.779316 1.908338  0.3112151      0.2764185 0.3678508      0.3553678 0.2244580      0.4398310 -0.000000      0.000000  
1 1 1 -34 0  17 o 43.73476 0.9205844 19.21796       0.8036379 19.39372       1.140671  19.04473       1.132405  -0.000000      0.000000  
1 1 1 -34 0  18 o 11.31706 1.749902  1.560298       0.3276649 1.896892       0.4299486 1.093947       0.5060801 -0.000000      0.000000  
1 1 1 -34 0  19 o 11.37876 1.725573  1.468006       0.3390348 1.499431       0.4435920 1.423864       0.5257431 -0.000000      0.000000  
1 1 1 -34 0  20 o 14.35771 1.298571  2.158146       0.3606248 2.077296       0.4793724 2.263558       0.5473653 -0.000000      0.000000  
1 1 1 -34 0  21 o 6.404515 2.189284  0.6006687      0.3200404 0.5381112      0.4168849 0.6904508      0.4994266 -0.000000      0.000000  
1 1 1 -34 0  22 o 4.527263 1.912725  0.2123291      0.3120313 0.3517900      0.4088489 0.1777900E-01  0.4828945 -0.000000      0.000000  
1 1 1 -34 0  23 o 5.486468 2.075509  0.3575201      0.3229671 0.1217197      0.4188380 0.7033672      0.5072428 -0.000000      0.000000  
1 1 1 -34 0  24 o 3.440104 1.654945  -0.1982542     0.3201714 -0.2133401     0.4072442 -0.1738383     0.5180894 -0.000000      0.000000  
1 1 1 -34 0  25 o 5.057357 2.055150  0.2425919      0.3431715 -0.1582178E-01 0.4534790 0.5889020      0.5249671 -0.000000      0.000000  
1 1 1 -34 0  26 o 50.19466 1.015458  25.29391       1.016802  24.39568       1.405276  26.28088       1.473069  -0.000000      0.000000  
1 1 1 -34 0  27 o 36.09097 0.9487113 13.10881       0.6822677 13.01911       0.9460970 13.20599       0.9848116 -0.000000      0.000000  
1 1 1 -34 0  28 o 57.05684 1.076847  32.72023       1.226622  32.21378       1.712880  33.25334       1.757388  -0.000000      0.000000  
1 1 1 -34 0  29 o 7.420429 2.319247  0.8002573      0.3577524 0.7852926      0.4760188 0.8196806      0.5423160 -0.000000      0.000000  
1 1 1 -34 0  30 o 10.58724 2.034886  1.415720       0.3783304 1.728349       0.5075110 1.024684       0.5675968 -0.000000      0.000000  
1 1 1 -34 0  31 o 6.363114 1.927063  0.4428031      0.3730859 1.098663       0.4900259 -0.4616759     0.5754569 -0.000000      0.000000  
1 1 1 -34 0  32 o 19.92735 1.201772  4.150145       0.4623442 4.713531       0.6283720 3.485109       0.6827095 -0.000000      0.000000  
1 1 1 -34 0  33 o 14.07859 1.567991  2.094919       0.4146474 1.959780       0.5640359 2.253839       0.6116545 -0.000000      0.000000  
1 1 1 -34 0  34 o 10.71582 2.222878  1.415086       0.4120454 1.344474       0.5561480 1.501014       0.6135054 -0.000000      0.000000  
1 1 1 -34 0  35 o 13.04490 1.865842  1.925488       0.4203268 2.101689       0.5547992 1.688084       0.6439853 -0.000000      0.000000  
1 1 1 -34 0  36 o 4.709421 2.061689  0.5675556E-01  0.3922252 -0.2612444     0.5223061 0.4679869      0.5939564 -0.000000      0.000000  
1 1 1 -34 0  37 o 5.736227 2.171936  0.3497508      0.4082687 0.8326920      0.5503568 -0.2412388     0.6088175 -0.000000      0.000000  
1 1 1 -34 0  38 o 43.40471 1.040501  18.96787       0.9007946 19.40333       1.289229  18.55250       1.259135  -0.000000      0.000000  
1 1 1 -34 0  39 o 16.79536 1.500039  2.979567       0.4817804 3.258002       0.6536260 2.648335       0.7129080 -0.000000      0.000000  
1 1 1 -34 0  40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 1  1  o 28.96912 0.8480393 8.416132       0.4903972 9.172110       0.7061770 7.711998       0.6815322 2.515934       1.696079  
1 1 1 -34 1  2  o 32.62364 0.8448947 10.68082       0.5510147 11.15058       0.7878171 10.23094       0.7709610 1.406622       1.689789  
1 1 1 -34 1  3  o 6.463454 1.316615  0.4228280      0.1857537 0.2734116      0.2604770 0.5774451      0.2649714 -1.908745      2.633231  
1 1 1 -34 1  4  o 21.52521 0.6213741 4.630178       0.2656557 5.429035       0.3870465 3.918626       0.3652850 3.505844       1.242748  
1 1 1 -34 1  5  o 14.07980 0.7710121 1.989727       0.2170087 2.034482       0.3046076 1.943600       0.3092381 0.3234234      1.542024  
1 1 1 -34 1  6  o 38.36185 0.6029217 14.73943       0.4624906 15.01159       0.6622248 14.48028       0.6461910 0.6906853      1.205843  
1 1 1 -34 1  7  o 11.98674 0.8822504 1.453713       0.2091275 1.700476       0.2954338 1.205888       0.2960693 2.063167       1.764501  
1 1 1 -34 1  8  o 26.91838 0.5935490 7.250595       0.3193577 6.963764       0.4430689 7.560745       0.4607286 -1.106958      1.187098  
1 1 1 -34 1  9  o 41.56467 0.6225352 17.31031       0.5174928 17.28752       0.7287184 17.33351       0.7350129 -0.5461502E-01 1.245070  
1 1 1 -34 1  10 o 12.47160 0.8901321 1.581304       0.2169811 1.985316       0.3090348 1.188480       0.3047257 3.193929       1.780264  
1 1 1 -34 1  11 o 4.204287 1.266797  -0.1357499E-01 0.1899217 0.6511091E-01  0.2644903 -0.9733566E-01 0.2728860 0.5551782      2.533593  
1 1 1 -34 1  12 o 36.24874 0.6041420 13.14743       0.4376988 13.78496       0.6312742 12.55718       0.6074143 1.690975       1.208284  
1 1 1 -34 1  13 o 15.43682 0.7647096 2.389883       0.2360884 2.411359       0.3350037 2.368692       0.3327664 0.1378927      1.529419  
1 1 1 -34 1  14 o 30.88161 0.6069553 9.538613       0.3744950 10.15152       0.5411763 8.975419       0.5187662 1.901783       1.213911  
1 1 1 -34 1  15 o 22.09338 0.6458302 4.889756       0.2852813 5.066508       0.4072306 4.719421       0.3997703 0.7846413      1.291660  
1 1 1 -34 1  16 o 31.49073 0.6092486 9.881103       0.3826579 10.85025       0.5651161 9.060481       0.5200130 2.836843       1.218497  
1 1 1 -34 1  17 f 11.40808 0.9972379 1.310492       0.2268377 1.429115       0.3209956 1.192163       0.3205988 1.038457       1.994476  
1 1 1 -34 1  18 o 27.97930 0.6216674 7.840435       0.3478019 8.042920       0.4976427 7.647085       0.4862862 0.7061062      1.243335  
1 1 1 -34 1  19 o 6.640887 1.436232  0.4301354      0.2185994 0.2343771      0.3081903 0.6283416      0.3101112 -2.200682      2.872465  
1 1 1 -34 1  20 o 19.42982 0.7194532 3.789819       0.2787532 3.433717       0.3920859 4.153767       0.3963824 -1.852390      1.438906  
1 1 1 -34 1  21 f 16.11847 0.8209152 2.625293       0.2601849 2.047737       0.3632832 3.233559       0.3728161 -3.677044      1.641830  
1 1 1 -34 1  22 o 31.94980 0.6353380 10.22597       0.4059003 10.41764       0.5810139 10.04326       0.5672914 0.5842590      1.270676  
1 1 1 -34 1  23 o 12.39695 0.9934525 1.543531       0.2458240 1.683168       0.3534080 1.412641       0.3421600 1.088991       1.986905  
1 1 1 -34 1  24 o 18.01148 0.7795282 3.257035       0.2805544 3.411677       0.3963543 3.101753       0.3971746 0.8604736      1.559056  
1 1 1 -34 1  25 o 46.60269 0.8672845 21.64171       0.7859469 22.51347       1.281347  21.11590       0.9951323 1.450947       1.734569  
1 1 1 -34 1  26 o 37.01304 0.6596721 13.73353       0.4883104 13.59775       0.6907190 13.86921       0.6904315 -0.3667450     1.319344  
1 1 1 -34 1  27 o 25.39436 0.6992598 6.466237       0.3550166 6.477576       0.5091673 6.455507       0.4952602 0.4150963E-01  1.398520  
1 1 1 -34 1  28 o 30.09972 1.338861  0.000000       0.000000  ?              ?         9.106256       0.8059866 ?              ?         
1 1 1 -34 1  29 o 34.40556 0.8019904 11.71267       0.5211682 12.39485       0.9114701 11.38130       0.6352603 1.427109       1.603981  
1 1 1 -34 1  30 o 27.77535 0.9087496 7.761013       0.5019925 7.687940       0.7487121 7.820687       0.6766012 -0.2533035     1.817499  
1 1 1 -34 1  31 o 17.53518 1.200692  3.087378       0.4190275 2.955958       0.5608447 3.253431       0.6304287 -0.8295288     2.401384  
1 1 1 -34 1  32 o 13.98828 1.422311  1.980976       0.3953049 1.977194       0.5295071 1.985739       0.5941519 -0.1025486E-01 2.844622  
1 1 1 -34 1  33 o 57.98761 1.097542  33.83518       1.271799  34.92241       1.845592  32.85205       1.755015  1.763176       2.195085  
1 1 1 -34 1  34 o 37.35019 0.9644462 13.97571       0.7188905 15.23447       1.054302  12.88191       0.9827906 3.133698       1.928892  
1 1 1 -34 1  35 o 43.93382 0.9935676 19.40123       0.8724284 20.30054       1.260319  18.57382       1.208887  1.953220       1.987135  
1 1 1 -34 1  36 o 51.31580 1.042014  26.51884       1.069207  27.11524       1.531089  25.95115       1.493776  1.124775       2.084029  
1 1 1 -34 1  37 o 22.76943 1.085859  5.195755       0.4928897 4.813766       0.6655751 5.659643       0.7334620 -1.838865      2.171718  
1 1 1 -34 1  38 o 10.91353 1.848736  1.275180       0.3996588 1.434409       0.5523251 1.100184       0.5790257 1.458982       3.697472  
1 1 1 -34 1  39 f 30.16350 1.034764  9.161780       0.6237974 8.688955       0.8727356 9.655646       0.8919435 -1.597546      2.069528  
1 1 1 -34 1  40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 2  1  o 13.86307 0.7503030 1.925610       0.2076752 1.889213       0.2843741 1.967206       0.3040017 -0.2783327     1.500606  
1 1 1 -34 2  2  o 8.024757 1.150656  0.6535491      0.1821025 0.3845533      0.2448540 0.9864922      0.2724078 -3.762173      2.301311  
1 1 1 -34 2  3  o 35.22080 0.7805340 12.29343       0.5250329 11.94469       0.6477954 12.96112       0.8963430 -1.404697      1.561068  
1 1 1 -34 2  4  o 17.79282 1.013409  3.175514       0.3578638 2.665336       0.4921074 3.748125       0.5213492 -3.036993      2.026818  
1 1 1 -34 2  5  o 8.234574 1.540536  0.6990076      0.2408068 0.7162318      0.4493216 0.6920670      0.2852283 0.2205658      3.081072  
1 1 1 -34 2  6  o 7.700908 1.215051  0.6244057      0.1871126 0.7769511      0.2557047 0.4485702      0.2745317 2.177372       2.430102  
1 1 1 -34 2  7  o 16.09731 0.7083126 2.600161       0.2278555 2.685718       0.3197696 2.511912       0.3247612 0.5405169      1.416625  
1 1 1 -34 2  8  o 21.24375 0.6291004 4.526399       0.2670348 4.708223       0.3753426 4.340046       0.3799888 0.8670921      1.258201  
1 1 1 -34 2  9  o 23.67622 0.6120346 5.616278       0.2897794 5.604886       0.4065188 5.628046       0.4131822 -0.4816818E-01 1.224069  
1 1 1 -34 2  10 o 25.41343 0.6054829 6.463967       0.3075009 6.840355       0.4420239 6.110990       0.4280562 1.433470       1.210966  
1 1 1 -34 2  11 o 34.72654 0.6056262 12.06005       0.4202250 12.60417       0.6106488 11.57057       0.5791752 1.484768       1.211252  
1 1 1 -34 2  12 o 16.98980 0.7137666 2.898672       0.2416223 3.212146       0.3436960 2.592356       0.3397494 1.823503       1.427533  
1 1 1 -34 2  13 o 16.54550 0.7425323 2.745405       0.2443740 2.378116       0.3398891 3.138445       0.3516025 -2.296144      1.485065  
1 1 1 -34 2  14 f 28.51821 0.6061547 8.133440       0.3454183 8.568292       0.5006073 7.738265       0.4772220 1.452724       1.212309  
1 1 1 -34 2  15 o 8.150633 1.284074  0.6917624      0.2116914 0.4400923      0.2989805 0.9447716      0.2997749 -3.080062      2.568148  
1 1 1 -34 2  16 o 22.27075 0.6507514 4.971000       0.2897684 4.819219       0.4089037 5.124111       0.4106909 -0.6843033     1.301503  
1 1 1 -34 2  17 o 26.07455 0.6221720 6.812531       0.3243637 6.601645       0.4573150 7.026027       0.4601371 -0.8134708     1.244344  
1 1 1 -34 2  18 o 14.55665 0.8336366 2.139094       0.2407283 1.833923       0.3415061 2.440487       0.3393861 -2.083776      1.667273  
1 1 1 -34 2  19 o 26.34513 0.6404614 6.954827       0.3357673 6.057366       0.4670289 7.914998       0.4830705 -3.523714      1.280923  
1 1 1 -34 2  20 o 32.99641 0.6244892 10.89293       0.4117300 10.27144       0.5708095 11.56699       0.5944584 -1.960468      1.248978  
1 1 1 -34 2  21 o 24.67457 0.6528271 6.098467       0.3219453 6.191000       0.4653351 6.013507       0.4458862 0.3573151      1.305654  
1 1 1 -34 2  22 f 24.27666 0.7196073 5.961687       0.3453193 5.508421       0.5176921 6.325023       0.4634999 -1.689135      1.439215  
1 1 1 -34 2  23 o 19.74216 0.8734806 3.910844       0.3390802 3.928614       0.5309237 3.898603       0.4406569 0.6101418E-01  1.746961  
1 1 1 -34 2  24 f 12.65829 1.301332  1.629856       0.3259376 1.723111       0.4383627 1.514560       0.4874212 0.8360996      2.602664  
1 1 1 -34 2  25 o 44.01562 0.9293449 19.43560       0.8174390 20.31640       1.185052  18.63609       1.129047  1.898495       1.858690  
1 1 1 -34 2  26 o 26.36039 0.9118720 6.998208       0.4791279 7.636514       0.6763139 6.355063       0.6788718 2.431101       1.823744  
1 1 1 -34 2  27 o 35.85226 0.9029875 12.89787       0.6470578 12.49262       0.8954932 13.34063       0.9360066 -1.175331      1.805975  
1 1 1 -34 2  28 o 7.358194 1.707928  0.5399859      0.2966510 0.6825902      0.3670168 0.2712581      0.5038202 1.435268       3.415856  
1 1 1 -34 2  29 o 50.73180 0.8776723 25.66827       0.8414972 25.29066       1.029561  26.42818       1.460523  -1.041920      1.755345  
1 1 1 -34 2  30 o 5.206509 1.515759  0.6639266E-01  0.2609711 0.2087041      0.3540909 -0.1028320     0.3861239 0.8980370      3.031517  
1 1 1 -34 2  31 o 25.05950 0.7214430 6.301439       0.3615169 6.226532       0.5140405 6.374747       0.5085283 -0.2966137     1.442886  
1 1 1 -34 2  32 o 29.36139 0.6920587 8.645229       0.4063559 8.746686       0.5796965 8.547214       0.5697796 0.3381710      1.384117  
1 1 1 -34 2  33 o 25.49855 0.7208746 6.517282       0.3674004 6.844524       0.5275998 6.209202       0.5119203 1.243290       1.441749  
1 1 1 -34 2  34 o 16.19109 0.9485954 2.635904       0.3071217 2.681231       0.4394006 2.592609       0.4294421 0.2715187      1.897191  
1 1 1 -34 2  35 o 37.08913 0.6961122 13.77454       0.5156726 14.28123       0.7533189 13.32775       0.7073886 1.277882       1.392224  
1 1 1 -34 2  36 o 20.96491 0.8254972 4.418473       0.3459395 4.289327       0.4920522 4.544701       0.4864604 -0.6101875     1.650994  
1 1 1 -34 2  37 o 43.41362 0.7150207 18.85284       0.6196612 19.96415       0.9111728 17.89662       0.8452070 2.369286       1.430041  
1 1 1 -34 2  38 o 41.33377 0.7184954 17.13327       0.5937414 16.62299       0.8266150 17.67712       0.8533790 -1.270420      1.436991  
1 1 1 -34 2  39 o 15.31096 1.699074  2.474724       0.4957887 2.099308       0.7442018 2.774304       0.6647997 -2.458282      3.398148  
1 1 1 -34 2  40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 3  1  o 10.66525 0.8781679 1.136002       0.1867166 1.024004       0.2540621 1.267539       0.2753329 -1.137914      1.756336  
1 1 1 -34 3  2  o 40.44884 0.6048794 16.38376       0.4891607 16.94736       0.7019768 15.85177       0.6820107 1.351879       1.209759  
1 1 1 -34 3  3  f 41.21902 0.6086572 16.90379       0.4996687 15.73116       0.6702111 18.37118       0.7497337 -3.192780      1.217314  
1 1 1 -34 3  4  f 51.09741 0.6739463 26.15992       0.6883522 25.72812       0.9546816 26.62749       0.9934283 -0.8748856     1.347893  
1 1 1 -34 3  5  o 42.60631 0.7908280 17.28201       0.5995836 16.26779       0.6937237 20.27671       1.192060  -4.628418      1.581656  
1 1 1 -34 3  6  o 53.09906 1.009054  28.34602       1.071328  28.12893       1.496060  28.57451       1.534857  -0.4120483     2.018109  
1 1 1 -34 3  7  o 15.17045 1.193338  2.291081       0.3546898 3.016794       0.5324361 1.712084       0.4755798 4.287525       2.386677  
1 1 1 -34 3  8  o 19.97007 0.7472702 3.978356       0.2895293 4.087274       0.4735179 3.913322       0.3658961 0.4206009      1.494540  
1 1 1 -34 3  9  o 30.91185 0.5914932 9.566132       0.3655324 9.947469       0.5243028 9.205483       0.5098805 1.198587       1.182986  
1 1 1 -34 3  10 o 6.821218 1.347823  0.4789257      0.1915305 0.4103605      0.2626766 0.5567608      0.2798703 -0.9429574     2.695646  
1 1 1 -34 3  11 o 10.65972 1.038496  1.171099       0.2039501 0.7252409      0.2777598 1.692708       0.3004303 -4.656724      2.076993  
1 1 1 -34 3  12 o 25.98233 0.6060918 6.762630       0.3149297 6.652062       0.4427164 6.875897       0.4480879 -0.4301567     1.212184  
1 1 1 -34 3  13 o 6.597889 1.344751  0.4365439      0.1984431 0.6444288      0.2794694 0.2251366      0.2818272 2.484560       2.689503  
1 1 1 -34 3  14 o 20.31881 0.6623919 4.142609       0.2684285 3.763705       0.3776498 4.529505       0.3816117 -1.883989      1.324784  
1 1 1 -34 3  15 o 5.937881 1.414912  0.3276644      0.2003977 0.4006779      0.2891105 0.2601429      0.2780247 0.8342590      2.829824  
1 1 1 -34 3  16 o 12.88735 0.8873275 1.674690       0.2264823 1.393845       0.3175306 1.965529       0.3231316 -2.217115      1.774655  
1 1 1 -34 3  17 o 17.92628 0.7268355 3.222192       0.2605877 3.212297       0.3677615 3.232170       0.3692965 -0.5522346E-01 1.453671  
1 1 1 -34 3  18 f 37.94876 0.7483262 14.65599       0.5468660 13.61331       0.8868065 15.29581       0.6946778 -2.242611      1.496652  
1 1 1 -34 3  19 o 25.99369 0.8063097 6.762261       0.4166085 6.931166       0.6281751 6.629637       0.5566369 0.5694160      1.612619  
1 1 1 -34 3  20 o 11.95664 1.276669  1.444610       0.3033799 1.468258       0.4088097 1.415623       0.4526145 0.2304583      2.553338  
1 1 1 -34 3  21 o 24.17761 0.8564523 5.852807       0.4135214 5.448661       0.5694927 6.303551       0.6014284 -1.762804      1.712905  
1 1 1 -34 3  22 o 28.55626 0.8000937 8.137938       0.4533643 7.845499       0.5999673 8.527184       0.6921832 -1.179531      1.600187  
1 1 1 -34 3  23 o 34.25343 0.7674519 11.94055       0.5071540 12.46800       0.6459724 11.09307       0.8188267 2.032288       1.534904  
1 1 1 -34 3  24 o 36.25311 0.6480604 13.16675       0.4697546 13.47466       0.6739980 12.87590       0.6550729 0.8233910      1.296121  
1 1 1 -34 3  25 o 20.58169 0.7313029 4.232329       0.2996635 4.838510       0.4376432 3.697264       0.4111709 2.768646       1.462606  
1 1 1 -34 3  26 o 24.81666 0.6810866 6.176805       0.3376021 5.776164       0.4747512 6.586658       0.4801780 -1.632223      1.362173  
1 1 1 -34 3  27 o 23.67118 0.7032046 5.620742       0.3328044 5.481129       0.4721453 5.758608       0.4691817 -0.5865288     1.406409  
1 1 1 -34 3  28 o 50.40152 0.7164301 25.44416       0.7216781 24.45097       0.9987714 26.52923       1.043940  -2.055008      1.432860  
1 1 1 -34 3  29 o 26.30837 0.6995637 6.943485       0.3677423 6.560297       0.5174257 7.334595       0.5227473 -1.470774      1.399127  
1 1 1 -34 3  30 o 37.76545 0.6706720 14.29497       0.5063744 13.76318       0.7077056 14.85283       0.7248451 -1.440083      1.341344  
1 1 1 -34 3  31 o 36.92968 0.6807185 13.63460       0.5019764 14.53828       0.7346992 12.84339       0.6874570 2.287617       1.361437  
1 1 1 -34 3  32 o 33.57873 0.6922373 11.28217       0.4638432 11.69042       0.6836620 10.93397       0.6313975 1.118404       1.384475  
1 1 1 -34 3  33 o 29.42253 0.6960505 8.635754       0.4083043 9.294025       0.6075906 8.093695       0.5513557 2.031034       1.392101  
1 1 1 -34 3  34 o 36.26357 0.6866762 13.16585       0.4975484 13.82166       0.7226653 12.57483       0.6860418 1.713318       1.373352  
1 1 1 -34 3  35 o 31.75144 0.7022735 10.10695       0.4457825 10.47403       0.6406086 9.762311       0.6207250 1.117439       1.404547  
1 1 1 -34 3  36 o 45.54792 0.7192408 20.81035       0.6550162 21.36413       0.9394892 20.28654       0.9137142 1.178291       1.438482  
1 1 1 -34 3  37 o 17.68152 0.9241964 3.143080       0.3262453 3.408658       0.4682190 2.892471       0.4548331 1.456581       1.848393  
1 1 1 -34 3  38 o 39.52622 0.7186871 15.63462       0.5673165 16.57009       0.8294678 14.81238       0.7776501 2.214382       1.437374  
1 1 1 -34 3  39 o 8.509462 2.981638  0.000000       0.000000  ?              ?         0.6704571      0.6284502 ?              ?         
1 1 1 -34 4  1  o 37.41668 0.5848990 14.01350       0.4373994 14.75376       0.6292765 13.32154       0.6084037 1.911312       1.169798  
1 1 1 -34 4  2  o 50.69335 0.6657862 25.75165       0.6747675 25.35423       0.9389922 26.17602       0.9703089 -0.8063202     1.331572  
1 1 1 -34 4  3  o 32.36813 0.5718834 10.49612       0.3701576 10.48422       0.5187597 10.50848       0.5283356 -0.3637314E-01 1.143767  
1 1 1 -34 4  4  o 30.83147 0.5750350 9.516680       0.3544514 9.262953       0.4932236 9.787668       0.5097234 -0.8490543     1.150070  
1 1 1 -34 4  5  o 69.69056 0.8263262 48.74420       1.151613  49.36511       1.643786  48.14569       1.613879  0.8699951      1.652652  
1 1 1 -34 4  6  o 22.39816 0.6050190 4.967816       0.2687179 4.151222       0.3607026 5.986274       0.4028262 -4.091463      1.210038  
1 1 1 -34 4  7  o 60.46985 0.7494830 36.67543       0.9063615 36.44835       1.273002  36.90888       1.290759  -0.3782234     1.498966  
1 1 1 -34 4  8  o 25.32288 0.7730606 6.125896       0.3506548 5.775177       0.4074485 7.127486       0.6885543 -2.629139      1.546121  
1 1 1 -34 4  9  o 6.230827 1.619002  0.1511206      0.3202676 -0.4952953     0.4888853 0.6370845      0.4238898 -3.371146      3.238004  
1 1 1 -34 4  10 o 11.26824 1.578198  1.275866       0.3470471 1.735365       0.5332811 0.9383018      0.4570805 3.667412       3.156396  
1 1 1 -34 4  11 o 33.66994 0.7729697 11.58379       0.4773546 10.83259       0.8549914 11.92400       0.5753831 -1.659634      1.545939  
1 1 1 -34 4  12 o 31.68271 0.5959899 10.05487       0.3775265 9.699698       0.5303326 10.41976       0.5375468 -1.135576      1.191980  
1 1 1 -34 4  13 o 17.60383 0.6977308 3.106469       0.2456261 3.087280       0.3443267 3.126350       0.3504908 -0.1101799     1.395462  
1 1 1 -34 4  14 o 11.36856 0.9550712 1.305404       0.2141833 1.044757       0.2991169 1.579670       0.3068323 -2.351267      1.910142  
1 1 1 -34 4  15 o 32.19579 0.7089387 10.20607       0.4362800 11.01773       0.7472783 9.786349       0.5373706 1.885174       1.417877  
1 1 1 -34 4  16 o 4.653036 1.410683  -0.2561417E-01 0.2373656 0.5973754E-01  0.3207818 -0.1289020     0.3528808 0.4059553      2.821366  
1 1 1 -34 4  17 o 7.206157 1.543069  0.4976822      0.2525731 0.2704537      0.3439697 0.7635496      0.3720671 -2.632878      3.086138  
1 1 1 -34 4  18 o 16.00624 0.9706132 2.547425       0.3088720 2.214973       0.4147591 2.961354       0.4628012 -2.322884      1.941226  
1 1 1 -34 4  19 o 33.85422 0.7389123 11.32135       0.4788263 10.92095       0.5914949 12.08260       0.8155871 -1.684822      1.477825  
1 1 1 -34 4  20 o 20.17113 0.7029290 4.072880       0.2833458 4.263425       0.4105978 3.899642       0.3915065 0.8992023      1.405858  
1 1 1 -34 4  21 o 18.00603 0.7428048 3.244080       0.2671773 3.445943       0.3887720 3.063416       0.3677917 1.059235       1.485610  
1 1 1 -34 4  22 o 38.36682 0.6431409 14.55616       0.4900863 16.59178       0.7477696 13.02337       0.6488767 4.638016       1.286282  
1 1 1 -34 4  23 o 18.68486 0.7526807 3.472823       0.2800507 3.926896       0.4176520 3.101882       0.3774894 2.201763       1.505361  
1 1 1 -34 4  24 o 36.83218 0.6421725 13.57401       0.4726039 14.15007       0.6868285 13.05600       0.6513107 1.480679       1.284345  
1 1 1 -34 4  25 o 53.32870 0.7249280 28.51097       0.7730140 27.79613       1.080346  29.26089       1.106539  -1.369549      1.449856  
1 1 1 -34 4  26 o 21.91257 0.7155015 4.814974       0.3133774 4.832216       0.4515233 4.798950       0.4352875 0.7357216E-01  1.431003  
1 1 1 -34 4  27 o 32.77506 0.6487387 10.76893       0.4251243 10.43416       0.5994555 11.10767       0.6029932 -1.027004      1.297477  
1 1 1 -34 4  28 o 8.818846 1.416689  0.8183173      0.2444379 0.8547140      0.3462555 0.7821585      0.3451219 0.3980932      2.833379  
1 1 1 -34 4  29 o 36.29961 0.6637665 13.20554       0.4816543 13.44329       0.6942558 12.98492       0.6687824 0.6276207      1.327533  
1 1 1 -34 4  30 o 31.41241 0.6693085 9.897614       0.4202999 9.537573       0.5936086 10.25957       0.5951821 -1.148983      1.338617  
1 1 1 -34 4  31 f 7.878516 1.575988  0.6471517      0.2595324 0.6767002      0.3644958 0.6167655      0.3696263 0.3177938      3.151977  
1 1 1 -34 4  32 o 19.12863 1.116834  3.891023       0.3916585 4.282737       0.4825982 3.135247       0.6703429 3.043831       2.233668  
1 1 1 -34 4  33 o 58.18686 0.7776305 33.86657       0.9026755 35.65953       1.335507  32.35851       1.224816  2.816986       1.555261  
1 1 1 -34 4  34 o 20.51756 0.8294560 4.225812       0.3399149 4.538279       0.4875656 3.930316       0.4741400 1.478966       1.658912  
1 1 1 -34 4  35 o 60.41209 0.7992736 36.63926       0.9653921 37.31156       1.387299  36.00802       1.344260  1.070492       1.598547  
1 1 1 -34 4  36 o 18.10371 0.8957563 3.309284       0.3229794 3.022528       0.4627848 3.581583       0.4509681 -1.546696      1.791513  
1 1 1 -34 4  37 o 31.10872 0.7173691 9.705458       0.4461601 9.972836       0.6417466 9.455322       0.6207105 0.8280487      1.434738  
1 1 1 -34 4  38 o 28.81789 0.7366239 8.316850       0.4240730 7.889527       0.5837002 8.794562       0.6171567 -1.564234      1.473248  
1 1 1 -34 4  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 5  1  o 17.55423 0.6898423 3.054682       0.2326356 3.218038       0.3918995 2.965799       0.2890771 0.7030296      1.379685  
1 1 1 -34 5  2  o 15.50238 1.027140  2.601579       0.2464462 2.722814       0.2763526 2.130627       0.5446742 1.962756       2.054280  
1 1 1 -34 5  3  o 32.28546 0.5689009 10.41168       0.3667823 9.847157       0.5023640 11.05614       0.5367596 -1.868362      1.137802  
1 1 1 -34 5  4  o 18.01505 0.6091371 3.251122       0.2194262 3.199359       0.3064813 3.305559       0.3142975 -0.2937984     1.218274  
1 1 1 -34 5  5  o 52.39825 0.6840693 27.35581       0.7140751 25.66140       0.9593513 29.46077       1.069278  -3.610477      1.368139  
1 1 1 -34 5  6  o 26.50899 0.5669777 7.027976       0.3002844 7.488513       0.4340573 6.605244       0.4158596 1.663933       1.133955  
1 1 1 -34 5  7  o 12.61548 0.7656530 1.595863       0.1931302 1.556307       0.2694906 1.637629       0.2769153 -0.3211870     1.531306  
1 1 1 -34 5  8  o 26.66378 0.5754465 7.120372       0.3068236 7.276251       0.4382738 6.970545       0.4296821 0.5722942      1.150893  
1 1 1 -34 5  9  o 8.904409 1.067339  0.8118540      0.1855328 0.8649758      0.2603519 0.7570417      0.2644624 0.7421179      2.134677  
1 1 1 -34 5  10 o 13.48238 0.7704968 1.819577       0.2061693 1.527278       0.2838378 2.146036       0.2999651 -2.292327      1.540994  
1 1 1 -34 5  11 o 19.23028 0.9191391 3.795567       0.3064263 3.881230       0.3561969 3.551670       0.6010303 0.8978195      1.838278  
1 1 1 -34 5  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 5  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 5  14 o 32.11580 1.119877  0.000000       0.000000  ?              ?         10.34863       0.7193152 ?              ?         
1 1 1 -34 5  15 o 11.37999 1.650079  1.405623       0.3251333 1.192661       0.6360726 1.480948       0.3782876 -1.500564      3.300159  
1 1 1 -34 5  16 o 28.89562 0.6116121 8.344549       0.3529794 8.931461       0.5136676 7.819444       0.4858679 1.920992       1.223224  
1 1 1 -34 5  17 o 35.26748 0.6162996 12.45560       0.4345630 12.04915       0.6065176 12.88436       0.6229413 -1.182190      1.232599  
1 1 1 -34 5  18 o 19.85083 0.6733276 3.950251       0.2673161 3.980038       0.3779758 3.920443       0.3781084 0.1501217      1.346655  
1 1 1 -34 5  19 o 20.85334 0.6719916 4.350374       0.2788582 3.775895       0.3849878 4.984444       0.4044628 -2.895227      1.343983  
1 1 1 -34 5  20 o 36.75521 0.6261898 13.53706       0.4602785 13.30188       0.6474954 13.77730       0.6544239 -0.6458931     1.252380  
1 1 1 -34 5  21 o 20.76295 0.6938559 4.326515       0.2867705 3.796674       0.4007955 4.882291       0.4104877 -2.612999      1.387712  
1 1 1 -34 5  22 f 28.99795 0.6310077 8.435097       0.3656289 8.134192       0.5214669 8.726079       0.5127969 -1.021650      1.262015  
1 1 1 -34 5  23 o 20.57639 0.7066798 4.224421       0.2888823 4.962874       0.4239663 3.584445       0.3946860 3.345442       1.413360  
1 1 1 -34 5  24 o 27.02076 0.6538439 7.276259       0.3522997 7.929326       0.5227505 6.732820       0.4768598 2.208055       1.307688  
1 1 1 -34 5  25 o 21.05575 0.7144531 4.427970       0.3002436 4.772328       0.4415630 4.131853       0.4094683 1.516291       1.428906  
1 1 1 -34 5  26 o 17.55336 0.8019055 3.107996       0.2799832 2.777457       0.4002290 3.424787       0.3918171 -1.845272      1.603811  
1 1 1 -34 5  27 f 28.93665 0.6586816 8.356201       0.3803097 9.046925       0.5607744 7.767958       0.5175059 2.203850       1.317363  
1 1 1 -34 5  28 f 26.54919 0.6895583 7.073804       0.3658768 6.782927       0.5185410 7.362198       0.5163218 -1.091280      1.379117  
1 1 1 -34 5  29 o 45.42414 0.6935619 20.69617       0.6300164 20.70124       0.8978665 20.69126       0.8842452 0.8865356E-02  1.387124  
1 1 1 -34 5  30 o 6.523860 1.584457  0.3905233      0.2522020 0.2933198      0.3584660 0.4858003      0.3548959 -0.9371200     3.168915  
1 1 1 -34 5  31 o 29.52613 0.6800072 8.743782       0.4015232 8.616118       0.5682201 8.871103       0.5674597 -0.4319096     1.360014  
1 1 1 -34 5  32 o 41.16072 0.6958202 16.93128       0.5716348 18.00657       0.8419300 16.01166       0.7786059 2.413368       1.391640  
1 1 1 -34 5  33 o 34.74701 0.8756077 11.81523       0.5617837 11.33474       0.6691758 12.96234       1.033955  -2.268845      1.751215  
1 1 1 -34 5  34 o 41.73272 0.7013369 17.43982       0.5844929 18.07674       0.8554294 16.88208       0.8004978 1.422085       1.402674  
1 1 1 -34 5  35 o 28.36162 0.7193922 8.071159       0.4061983 7.073499       0.5649676 9.138737       0.5844290 -3.637415      1.438784  
1 1 1 -34 5  36 o 48.07271 0.7301583 23.18530       0.7017961 23.66715       1.007979  22.73196       0.9776930 0.9671402      1.460317  
1 1 1 -34 5  37 o 33.78047 0.7044594 11.42571       0.4752882 10.64056       0.6566586 12.28963       0.6888117 -2.435333      1.408919  
1 1 1 -34 5  38 o 26.83658 1.410812  0.000000       0.000000  ?              ?         7.252517       0.7572273 ?              ?         
1 1 1 -34 6  1  o 20.27103 0.5196797 4.101068       0.2102927 3.856931       0.2870622 4.383833       0.3089391 -1.297102      1.039359  
1 1 1 -34 6  2  o 12.61172 0.6269590 1.590912       0.1561717 1.954218       0.2282544 1.271145       0.2141409 2.706161       1.253918  
1 1 1 -34 6  3  o 22.23664 0.5584549 4.924889       0.2474289 5.284506       0.3700537 4.634127       0.3327465 1.457964       1.116910  
1 1 1 -34 6  4  o 30.43099 0.5549572 9.219584       0.3367011 8.407659       0.4563975 10.18919       0.4987508 -2.922335      1.109914  
1 1 1 -34 6  5  o 24.04714 0.5521334 5.790226       0.2654814 5.961603       0.3796430 5.626220       0.3713879 0.6964283      1.104267  
1 1 1 -34 6  6  o 36.95397 0.5852748 13.67442       0.4324306 13.35260       0.6025293 14.01626       0.6209866 -0.8958015     1.170550  
1 1 1 -34 6  7  o 34.51759 0.9581222 11.96762       0.6611997 11.58807       0.9211985 12.37094       0.9496033 -1.128582      1.916244  
1 1 1 -34 6  8  o 28.56951 0.5675673 8.176099       0.3242736 8.237779       0.4622937 8.116356       0.4549781 0.2116776      1.135135  
1 1 1 -34 6  9  o 11.94660 0.7886103 1.435997       0.1871355 1.648207       0.2670467 1.231239       0.2623159 1.744399       1.577221  
1 1 1 -34 6  10 f 43.08230 0.7338666 18.51291       0.6077368 18.98935       1.016223  18.24763       0.7582774 0.8238297      1.467733  
1 1 1 -34 6  11 o 14.41338 0.8636367 2.107443       0.2419737 2.751086       0.3491048 1.512300       0.3356940 4.295146       1.727273  
1 1 1 -34 6  12 f 27.46524 0.7250566 7.561381       0.3981743 7.753527       0.5708247 7.379293       0.5556872 0.6791477      1.450113  
1 1 1 -34 6  13 o 25.76241 0.6168592 6.659206       0.3174146 6.877298       0.4425996 6.428257       0.4554606 0.8730450      1.233718  
1 1 1 -34 6  14 o 7.744532 1.235414  0.6266899      0.1870240 0.5649636      0.2580267 0.6950151      0.2714688 -0.8118439     2.470829  
1 1 1 -34 6  15 o 5.730992 1.581885  0.1981893      0.2273787 0.1819682      0.2584361 0.2537728      0.4783928 -1.464228      3.163771  
1 1 1 -34 6  16 o 9.175739 1.464047  0.9581856      0.2441309 1.078006       0.2857504 0.6343687      0.4697553 2.359784       2.928094  
1 1 1 -34 6  17 o 15.37059 1.346990  2.397026       0.4107222 2.291008       0.6133344 2.483222       0.5530328 -0.6410589     2.693980  
1 1 1 -34 6  18 o 18.49522 1.186514  3.453421       0.4381210 3.283322       0.6272107 3.615503       0.6122533 -0.9014931     2.373029  
1 1 1 -34 6  19 f 13.09049 1.391038  1.904388       0.2882282 1.509079       0.5856275 2.030754       0.3311068 -2.266202      2.782075  
1 1 1 -34 6  20 o 16.87557 1.063517  2.616758       0.3104619 3.376340       0.6571164 2.398481       0.3522566 2.833323       2.127035  
1 1 1 -34 6  21 o 27.32449 0.6319512 7.481606       0.3452345 7.209847       0.4847417 7.761345       0.4918057 -1.008274      1.263902  
1 1 1 -34 6  22 o 18.09786 0.7512119 3.312759       0.2677163 2.628130       0.3760601 4.016260       0.3812083 -3.834305      1.502424  
1 1 1 -34 6  23 o 34.84801 0.6385939 12.17329       0.4450200 11.98449       0.6304349 12.36079       0.6282774 -0.5401993     1.277188  
1 1 1 -34 6  24 o 18.17756 0.7615677 3.318742       0.2760805 3.010035       0.3880748 3.635081       0.3928423 -1.718544      1.523135  
1 1 1 -34 6  25 o 5.373941 1.444829  0.2030170      0.2157617 0.2588970      0.3023205 0.1450080      0.3080257 0.5077376      2.889658  
1 1 1 -34 6  26 o 18.80449 0.7610266 3.548811       0.2861129 3.426961       0.4032158 3.672380       0.4060487 -0.6520882     1.522053  
1 1 1 -34 6  27 o 29.26778 0.6642740 8.585142       0.3886908 8.754865       0.5590922 8.426373       0.5407502 0.5584698      1.328548  
1 1 1 -34 6  28 o 29.56013 0.6658236 8.753918       0.3931459 8.157233       0.5474608 9.389302       0.5649356 -2.081411      1.331647  
1 1 1 -34 6  29 o 26.43026 0.6812665 6.984828       0.3595728 7.425300       0.5260510 6.598564       0.4926194 1.558966       1.362533  
1 1 1 -34 6  30 o 15.61106 0.8752968 2.451642       0.2726080 2.243574       0.3841215 2.662781       0.3869460 -1.342116      1.750594  
1 1 1 -34 6  31 f 30.87158 0.6740652 9.487174       0.4146132 10.46060       0.6192935 8.696432       0.5581628 2.847988       1.348130  
1 1 1 -34 6  32 o 20.34310 0.7884927 4.141821       0.3197161 4.652882       0.4655322 3.685585       0.4398535 2.372793       1.576985  
1 1 1 -34 6  33 o 28.23066 0.7059662 7.985207       0.3983100 8.313911       0.5765833 7.685149       0.5508858 1.109299       1.411932  
1 1 1 -34 6  34 o 24.33382 0.7403209 5.945824       0.3601798 5.857930       0.5134791 6.030962       0.5053602 -0.3570290     1.480642  
1 1 1 -34 6  35 o 48.92568 0.7303154 23.97828       0.7137422 25.02888       1.041535  23.04807       0.9800375 2.012985       1.460631  
1 1 1 -34 6  36 o 10.11401 1.380494  1.055179       0.2726789 1.304229       0.3959312 0.8304683      0.3760861 2.493266       2.760988  
1 1 1 -34 6  37 o 27.37838 0.9057186 7.542549       0.4924933 7.572813       0.6595671 7.504414       0.7404019 0.1429100      1.811437  
1 1 1 -34 6  38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 7  1  o 59.54131 1.118512  35.72974       1.331910  35.86616       1.878314  35.59175       1.888941  0.2330589      2.237024  
1 1 1 -34 7  2  o 22.83884 1.090388  5.237184       0.4966215 4.707744       0.6825686 5.832701       0.7239112 -2.452772      2.180777  
1 1 1 -34 7  3  o 24.13096 1.046616  5.855470       0.5045009 5.462308       0.7008260 6.278347       0.7268282 -1.684790      2.093232  
1 1 1 -34 7  4  o 36.25963 0.9753469 13.22995       0.7066119 13.96531       1.002647  12.50432       0.9959867 2.013203       1.950694  
1 1 1 -34 7  5  o 10.28638 0.6128668 1.059600       0.1252774 1.228613       0.1811490 0.9046656      0.1734404 1.573649       1.225734  
1 1 1 -34 7  6  o 34.20511 0.5598643 11.72078       0.3829888 11.57255       0.5399390 11.87089       0.5433330 -0.4357109     1.119729  
1 1 1 -34 7  7  o 43.87300 0.6250732 19.24441       0.5477486 20.22992       0.8001325 18.37523       0.7514266 2.107552       1.250146  
1 1 1 -34 7  8  o 40.62257 0.7640449 16.55500       0.6207096 16.69028       0.8839326 16.42340       0.8718246 0.3266335      1.528090  
1 1 1 -34 7  9  o 32.71229 0.6999100 10.71210       0.4575158 10.24845       0.6316647 11.22376       0.6635634 -1.486280      1.399820  
1 1 1 -34 7  10 o 12.08224 0.8098424 1.526766       0.1874524 1.879071       0.2535833 1.102320       0.2783381 3.218274       1.619685  
1 1 1 -34 7  11 o 47.47952 0.6564970 22.55654       0.6227818 23.54473       0.9057164 21.67028       0.8577341 1.967674       1.312994  
1 1 1 -34 7  12 o 28.24307 0.5776476 7.961915       0.3255291 8.759025       0.4756272 7.259480       0.4464884 2.651363       1.155295  
1 1 1 -34 7  13 o 23.91011 0.5883084 5.713974       0.2809291 6.147612       0.4080741 5.323313       0.3873250 1.721319       1.176617  
1 1 1 -34 7  14 o 36.79804 0.6095579 13.46548       0.4468800 12.29382       0.6016244 14.90759       0.6674576 -3.543526      1.219116  
1 1 1 -34 7  15 o 24.45818 0.6008199 5.992324       0.2938454 5.839365       0.4118153 6.150977       0.4194090 -0.6361217     1.201640  
1 1 1 -34 7  16 o 22.55558 0.6189040 5.090226       0.2789207 5.411003       0.4029977 4.795281       0.3864304 1.362862       1.237808  
1 1 1 -34 7  17 o 19.24329 0.6564398 3.712183       0.2525062 3.873433       0.3588468 3.554039       0.3553739 0.8294296      1.312880  
1 1 1 -34 7  18 o 24.40775 0.6202759 5.968491       0.3026623 6.217278       0.4318523 5.728323       0.4243059 1.000706       1.240552  
1 1 1 -34 7  19 o 33.01938 0.6098471 10.91902       0.4026108 11.26269       0.5773897 10.59379       0.5616902 1.010971       1.219694  
1 1 1 -34 7  20 o 29.81989 0.7006155 9.059641       0.4096425 9.829065       0.5436211 8.048696       0.6231277 2.996202       1.401231  
1 1 1 -34 7  21 o 21.45476 0.9259220 4.585038       0.3492552 4.541181       0.4056160 4.710779       0.6868045 -0.3443508     1.851844  
1 1 1 -34 7  22 o 45.87426 1.025787  21.12600       0.9401218 22.29998       1.367233  20.07312       1.294789  2.412014       2.051574  
1 1 1 -34 7  23 o 18.10447 1.323297  3.265413       0.4758050 3.773394       0.7242792 2.879747       0.6310859 2.442371       2.646594  
1 1 1 -34 7  24 o 27.24581 1.073300  7.490274       0.5835116 7.185216       0.8430905 7.770758       0.8084210 -1.082520      2.146600  
1 1 1 -34 7  25 o 44.80575 1.031422  20.09298       0.9216142 18.51078       1.249372  21.98163       1.365010  -3.846886      2.062844  
1 1 1 -34 7  26 f 15.72600 1.275626  2.439151       0.3690929 2.650444       0.6818516 2.351579       0.4389661 0.8817902      2.551252  
1 1 1 -34 7  27 o 21.87387 1.023523  5.136559       0.3848529 4.174026       0.7339439 5.501577       0.4519732 -3.094635      2.047046  
1 1 1 -34 7  28 o 9.196240 1.730307  0.4816382      0.2913208 1.777869       0.6923211 0.2027412      0.3211354 7.492773       3.460615  
1 1 1 -34 7  29 o 27.11529 0.9670295 7.294231       0.4417559 7.584888       0.9278500 7.209033       0.5023450 0.6050606      1.934059  
1 1 1 -34 7  30 o 14.29886 0.9703293 2.027995       0.2727820 2.624368       0.4109029 1.558063       0.3647516 3.718624       1.940659  
1 1 1 -34 7  31 o 22.03363 0.7447473 4.873643       0.3280647 4.821671       0.4689719 4.923450       0.4590931 -0.2326660     1.489495  
1 1 1 -34 7  32 o 25.97468 0.7029551 6.738365       0.3642174 7.199229       0.5395859 6.352650       0.4936379 1.621925       1.405910  
1 1 1 -34 7  33 f 32.68094 0.6871710 10.71652       0.4485284 9.985413       0.6292093 11.47186       0.6395469 -2.272419      1.374342  
1 1 1 -34 7  34 o 21.35110 0.7975057 4.523153       0.3381027 5.350894       0.5086145 3.867765       0.4525754 3.461943       1.595011  
1 1 1 -34 7  35 o 17.39955 0.9096414 3.053616       0.3153920 2.770437       0.4479171 3.332076       0.4441698 -1.614784      1.819283  
1 1 1 -34 7  36 o 25.40812 0.8648757 6.463335       0.4314129 6.356740       0.5569822 6.623184       0.6820676 -0.4978848     1.729751  
1 1 1 -34 7  37 o 26.59609 1.995034  0.000000       0.000000  ?              ?         7.174818       1.061202  ?              ?         
1 1 1 -34 8  1  o 37.55186 1.000668  14.18300       0.7512707 14.72319       1.074800  13.66694       1.050530  1.400990       2.001336  
1 1 1 -34 8  2  o 37.99368 1.003068  14.52187       0.7619441 15.06463       1.086455  13.99654       1.068863  1.401737       2.006137  
1 1 1 -34 8  3  o 19.78028 1.230417  3.951015       0.4861687 3.707518       0.6841538 4.199402       0.6909899 -1.241510      2.460834  
1 1 1 -34 8  4  o 9.834497 1.929189  1.024931       0.4086738 0.6421149      0.5977396 1.360943       0.5600078 -2.998455      3.858378  
1 1 1 -34 8  5  o 37.99912 1.002227  14.52090       0.7614117 14.08636       1.060960  14.98238       1.093368  -1.171749      2.004453  
1 1 1 -34 8  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 8  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 8  8  o 27.53607 1.470672  7.631137       0.8099310 7.631137       0.8099310 ?              ?         ?              ?         
1 1 1 -34 8  9  o 23.80986 0.5236040 5.678632       0.2493181 5.627015       0.3537671 5.729566       0.3514226 -0.2156067     1.047208  
1 1 1 -34 8  10 f 39.39794 0.5948965 15.53038       0.4683596 14.99040       0.6463646 16.12733       0.6796059 -1.438843      1.189793  
1 1 1 -34 8  11 o 15.69106 0.6061448 2.467498       0.1901864 2.524663       0.2692057 2.410538       0.2687234 0.3636036      1.212290  
1 1 1 -34 8  12 o 33.21934 0.5785599 11.05487       0.3843583 11.24136       0.5468229 10.87277       0.5403643 0.5540199      1.157120  
1 1 1 -34 8  13 o 23.80620 0.8641849 5.340944       0.3336724 6.303532       0.7609915 5.111832       0.3712646 2.437037       1.728370  
1 1 1 -34 8  14 o 37.84916 0.6085736 14.35407       0.4606531 14.16936       0.6475337 14.54333       0.6554623 -0.4930611     1.217147  
1 1 1 -34 8  15 o 19.48071 0.6229348 3.794481       0.2424118 4.042501       0.3523102 3.571490       0.3340614 1.206635       1.245870  
1 1 1 -34 8  16 o 10.19136 0.9034570 1.047775       0.1827916 0.8982431      0.2575896 1.199455       0.2594329 -1.477448      1.806914  
1 1 1 -34 8  17 o 49.40720 0.6821986 24.38898       0.6727483 25.85170       0.9906685 23.13714       0.9164764 2.736912       1.364397  
1 1 1 -34 8  18 o 31.46735 0.6054485 9.921346       0.3809308 9.980628       0.5459059 9.865087       0.5318056 0.1818581      1.210897  
1 1 1 -34 8  19 o 36.25351 0.6167038 13.16063       0.4469353 13.54466       0.6444746 12.80482       0.6203400 1.017311       1.233408  
1 1 1 -34 8  20 o 43.87861 0.6538410 19.28821       0.5735647 19.78412       0.8254911 18.82534       0.7975179 1.088734       1.307682  
1 1 1 -34 8  21 o 20.21438 0.6668664 4.093584       0.2694888 4.231814       0.3878934 3.964610       0.3746795 0.6590557      1.333733  
1 1 1 -34 8  22 o 13.81369 0.8321466 1.921274       0.2290034 2.115279       0.3237754 1.727067       0.3239441 1.405203       1.664293  
1 1 1 -34 8  23 o 25.43316 0.6363023 6.486618       0.3235753 6.371939       0.4601371 6.598806       0.4551136 -0.4467144     1.272605  
1 1 1 -34 8  24 o 25.22070 0.6495783 6.377085       0.3269600 5.833296       0.4571548 6.946522       0.4678119 -2.205425      1.299157  
1 1 1 -34 8  25 o 5.391533 1.401137  0.2153264      0.2057387 0.3527094      0.2876874 0.7151262E-01  0.2943436 1.349991       2.802275  
1 1 1 -34 8  26 o 19.32342 0.7401934 3.747990       0.2858818 3.706735       0.4103285 3.786905       0.3985257 -0.2093678     1.480387  
1 1 1 -34 8  27 o 9.999062 1.192513  1.025144       0.2330078 1.076843       0.3275502 0.9721801      0.3315315 0.6752253      2.385026  
1 1 1 -34 8  28 o 17.48683 0.7994647 3.065214       0.2792249 3.298764       0.4031723 2.849929       0.3870860 1.280476       1.598929  
1 1 1 -34 8  29 o 22.71196 0.7058886 5.176208       0.3202563 4.852694       0.4502611 5.507449       0.4556077 -1.440571      1.411777  
1 1 1 -34 8  30 o 26.87801 0.7730236 7.178023       0.4073843 6.893098       0.5220298 7.621808       0.6515031 -1.332277      1.546047  
1 1 1 -34 8  31 o 14.37085 1.111391  2.126830       0.3083194 2.278768       0.3965929 1.894715       0.4901884 1.360771       2.222782  
1 1 1 -34 8  32 o 58.31933 0.8585511 34.24630       0.9903958 34.59153       1.310977  33.78731       1.511616  0.7323418      1.717102  
1 1 1 -34 8  33 o 24.58503 0.9919190 6.274216       0.4443404 6.572978       0.5359558 5.617418       0.7946609 2.005718       1.983838  
1 1 1 -34 8  34 o 17.86854 1.197552  3.271348       0.3829577 3.332329       0.4528019 3.118139       0.7177168 0.6746502      2.395103  
1 1 1 -34 8  35 o 34.34937 1.806447  11.93239       1.241006  11.93239       1.241006  ?              ?         ?              ?         
1 1 1 -34 8  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 9  1  o 32.87198 1.033744  10.88397       0.6792904 11.27985       0.9609693 10.48860       0.9603544 1.203396       2.067488  
1 1 1 -34 9  2  f 62.18228 1.171736  39.00716       1.457023  39.13813       2.045587  38.87228       2.075828  0.2217636      2.343473  
1 1 1 -34 9  3  o 44.23714 1.037981  19.69724       0.9180319 19.53798       1.279502  19.86623       1.317937  -0.3621483     2.075961  
1 1 1 -34 9  4  o 52.38920 1.581551  0.000000       0.000000  ?              ?         27.66031       1.657124  ?              ?         
1 1 1 -34 9  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 9  6  o 35.66681 1.435048  12.80360       1.023672  12.80360       1.023672  ?              ?         ?              ?         
1 1 1 -34 9  7  o 45.75892 1.042150  21.07663       0.9535113 21.75586       1.359898  20.41976       1.337323  1.454670       2.084299  
1 1 1 -34 9  8  o 30.49767 1.037139  9.364212       0.6325935 9.280356       0.8931245 9.448632       0.8961276 -0.2751884     2.074279  
1 1 1 -34 9  9  o 25.25299 1.103485  6.427742       0.5566332 6.023293       0.7828323 6.841341       0.7916379 -1.617550      2.206969  
1 1 1 -34 9  10 o 32.58286 1.018732  10.67799       0.6635537 10.47056       0.9214711 10.90140       0.9563115 -0.6533546     2.037464  
1 1 1 -34 9  11 o 30.63392 1.033322  9.444122       0.6330180 9.646564       0.9018089 9.247489       0.8887788 0.6484356      2.066643  
1 1 1 -34 9  12 o 12.70601 0.6233366 1.618512       0.1583438 1.607809       0.2266154 1.628723       0.2213416 -0.8300972E-01 1.246673  
1 1 1 -34 9  13 o 36.42128 0.5864659 13.28063       0.4270004 12.80859       0.5938628 13.78588       0.6144002 -1.339069      1.172932  
1 1 1 -34 9  14 o 19.20035 0.5932439 3.679842       0.2262095 3.108148       0.3099864 4.331076       0.3308488 -3.182022      1.186488  
1 1 1 -34 9  15 o 33.14856 0.5850090 11.00362       0.3876992 11.28436       0.5576784 10.74103       0.5393592 0.8172340      1.170018  
1 1 1 -34 9  16 o 22.04162 0.5942112 4.865936       0.2615312 4.497480       0.3650008 5.254692       0.3749207 -1.716425      1.188422  
1 1 1 -34 9  17 o 23.54679 0.5934829 5.556398       0.2794898 5.523094       0.3946112 5.589922       0.3959086 -0.1417389     1.186966  
1 1 1 -34 9  18 f 30.21269 0.5957622 9.143164       0.3598947 9.387008       0.5160227 8.912212       0.5021948 0.7839546      1.191524  
1 1 1 -34 9  19 o 56.01191 0.7306799 31.47784       0.8185332 31.58055       1.158370  31.37542       1.156793  0.1828575      1.461360  
1 1 1 -34 9  20 o 35.28941 0.6176538 12.44867       0.4352997 13.16597       0.6366452 11.81893       0.5965250 1.903042       1.235308  
1 1 1 -34 9  21 o 21.41640 0.6521020 4.592599       0.2791193 4.790381       0.4036910 4.411446       0.3863485 0.8821564      1.304204  
1 1 1 -34 9  22 o 40.91396 0.6450366 16.77805       0.5277318 16.39917       0.7390403 17.17225       0.7538306 -0.9426308     1.290073  
1 1 1 -34 9  23 o 34.53894 0.6290157 11.95337       0.4344001 11.60785       0.6073132 12.31534       0.6216051 -1.022194      1.258031  
1 1 1 -34 9  24 o 41.87040 0.6605777 17.57624       0.5531016 17.18348       0.7773372 17.97898       0.7871628 -0.9485321     1.321155  
1 1 1 -34 9  25 o 32.07359 0.6343439 10.29869       0.4064531 9.633738       0.5643417 11.01539       0.5858865 -2.150856      1.268688  
1 1 1 -34 9  26 o 17.01761 0.7732392 2.904601       0.2630189 3.048046       0.3774178 2.769158       0.3667417 0.8175659      1.546478  
1 1 1 -34 9  27 o 15.83799 0.8320347 2.520907       0.2633848 2.423905       0.3732708 2.617095       0.3716987 -0.6101913     1.664069  
1 1 1 -34 9  28 o 9.341459 1.277065  0.8993084      0.2330921 0.7170450      0.3229692 1.097454       0.3367464 -2.180171      2.554131  
1 1 1 -34 9  29 f 27.41618 0.6705585 7.545668       0.3673149 7.351481       0.5270156 7.729107       0.5122235 -0.6910400     1.341117  
1 1 1 -34 9  30 o 26.98657 0.6807949 7.310745       0.3671690 7.157321       0.5260630 7.456475       0.5127053 -0.5564919     1.361590  
1 1 1 -34 9  31 o 28.14378 0.6891471 7.933311       0.3873813 8.210517       0.5658935 7.688859       0.5314107 0.9207840      1.378294  
1 1 1 -34 9  32 o 11.27214 1.199562  1.309952       0.2595254 1.603271       0.3716193 1.030705       0.3625957 2.683187       2.399124  
1 1 1 -34 9  33 o 39.84179 0.6926254 15.91836       0.5512660 16.08510       0.8009720 15.76829       0.7598670 0.3906288      1.385251  
1 1 1 -34 9  34 o 14.65039 1.163496  2.184326       0.3368303 2.561651       0.4754235 1.804046       0.4772818 2.586140       2.326993  
1 1 1 -34 9  35 o 28.02977 1.791459  0.000000       0.000000  ?              ?         7.947855       1.004284  ?              ?         
1 1 1 -34 10 1  o 52.55359 1.106531  27.78172       1.161247  26.68569       1.589170  29.03749       1.701034  -2.207718      2.213062  
1 1 1 -34 10 2  o 28.15235 1.571506  0.000000       0.000000  ?              ?         7.990526       0.8848314 ?              ?         
1 1 1 -34 10 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 10 4  o 16.26443 2.986838  2.800563       0.9352787 2.800563       0.9352787 ?              ?         ?              ?         
1 1 1 -34 10 5  f 44.76052 1.053791  20.14643       0.9416017 19.71872       1.287212  20.63872       1.380979  -1.005562      2.107581  
1 1 1 -34 10 6  o 38.76523 1.038646  15.13241       0.8046358 15.89731       1.142525  14.37970       1.133384  1.955326       2.077292  
1 1 1 -34 10 7  f 20.64509 1.262186  4.293718       0.5198883 3.891834       0.7175370 4.737846       0.7543066 -2.038723      2.524372  
1 1 1 -34 10 8  o 38.27902 1.040011  14.70621       0.7949244 13.93049       1.087464  15.59636       1.164914  -2.158192      2.080021  
1 1 1 -34 10 9  o 27.59104 1.091830  7.652552       0.6017124 7.149706       0.8308272 8.207246       0.8726093 -1.906376      2.183661  
1 1 1 -34 10 10 o 36.85755 1.034388  13.67244       0.7622384 13.54587       1.062128  13.80685       1.094539  -0.3465919     2.068776  
1 1 1 -34 10 11 o 25.55438 1.135187  6.586186       0.5776790 5.810081       0.8064621 7.404066       0.8278819 -3.113417      2.270375  
1 1 1 -34 10 12 o 15.64296 1.659439  2.659570       0.4755227 1.683735       0.6918616 3.533287       0.6546606 -6.127873      3.318879  
1 1 1 -34 10 13 o 35.29136 1.039337  12.45335       0.7309036 11.51652       0.9839360 13.60676       1.091760  -2.936371      2.078675  
1 1 1 -34 10 14 o 49.96687 0.6748869 25.03916       0.6744210 25.10401       0.9509901 24.97356       0.9565852 0.1313896      1.349774  
1 1 1 -34 10 15 o 28.30603 0.5694827 8.031987       0.3221615 7.667521       0.4550532 8.398228       0.4561592 -1.290585      1.138965  
1 1 1 -34 10 16 o 29.48811 0.5801820 8.717298       0.3420292 8.473276       0.4853579 8.958016       0.4820634 -0.8223515     1.160364  
1 1 1 -34 10 17 o 9.629344 0.8511488 0.9302060      0.1637891 0.8818977      0.2272682 0.9824122      0.2362590 -0.5202122     1.702298  
1 1 1 -34 10 18 o 8.685768 1.049838  0.7732421      0.1758246 0.6007357      0.2422038 0.9654298      0.2556474 -2.227353      2.099676  
1 1 1 -34 10 19 o 14.70015 0.7187433 2.165137       0.2109458 1.992051       0.2930593 2.351241       0.3038798 -1.220003      1.437487  
1 1 1 -34 10 20 o 24.61244 0.6147118 6.066099       0.3014636 5.376165       0.4185236 6.810046       0.4345983 -2.910744      1.229424  
1 1 1 -34 10 21 o 23.55883 0.6268547 5.562422       0.2952751 5.617549       0.4234850 5.510264       0.4119193 0.2260952      1.253709  
1 1 1 -34 10 22 o 41.17632 0.6456602 16.99921       0.5317084 16.96947       0.7538517 17.02866       0.7500612 -0.7241440E-01 1.291320  
1 1 1 -34 10 23 o 31.64925 0.6202165 10.03625       0.3924823 9.732433       0.5487723 10.35439       0.5615560 -0.9808044     1.240433  
1 1 1 -34 10 24 o 26.28131 0.6355902 6.889595       0.3326662 6.055487       0.4544721 7.852359       0.4882659 -3.413710      1.271180  
1 1 1 -34 10 25 o 47.03187 0.6890490 22.18420       0.6480462 21.64359       0.9106599 22.73885       0.9224043 -1.162525      1.378098  
1 1 1 -34 10 26 o 14.81970 0.8260940 2.211073       0.2442791 2.342646       0.3417129 2.073562       0.3493389 0.9093208      1.652188  
1 1 1 -34 10 27 o 9.561308 1.215847  0.9452370      0.2261131 1.062162       0.3167736 0.8237777      0.3228577 1.407892       2.431695  
1 1 1 -34 10 28 o 9.909915 1.205183  1.010140       0.2327937 1.106310       0.3284709 0.9130871      0.3299741 1.127790       2.410366  
1 1 1 -34 10 29 o 21.82650 0.7233284 4.771178       0.3139374 5.515317       0.4558955 4.100083       0.4329423 3.237864       1.446657  
1 1 1 -34 10 30 o 24.59805 0.6951769 6.072496       0.3418841 6.028166       0.4888807 6.114924       0.4782876 -0.1782036     1.390354  
1 1 1 -34 10 31 o 40.12497 0.6807659 16.06768       0.5448034 17.35173       0.8076400 14.99553       0.7379981 2.924393       1.361532  
1 1 1 -34 10 32 o 25.07268 0.7118942 6.311265       0.3568175 6.148791       0.5075617 6.470022       0.5017213 -0.6416149     1.423788  
1 1 1 -34 10 33 o 6.957748 1.694957  0.4423082      0.2882795 0.3305266      0.4008794 0.5620211      0.4148574 -1.112548      3.389915  
1 1 1 -34 10 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 11 1  o 20.67905 3.831802  0.000000       0.000000  ?              ?         4.622801       1.525242  ?              ?         
1 1 1 -34 11 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 11 3  o 19.04145 1.649226  3.819928       0.6019550 4.274952       0.7804303 3.151653       0.9457895 3.014242       3.298451  
1 1 1 -34 11 4  o 7.911762 2.087894  0.4987288      0.4448699 0.4396068      0.6389525 0.5543537      0.6197681 -0.3283801     4.175789  
1 1 1 -34 11 5  o 36.79488 1.061020  13.57676       0.7789437 12.69478       1.058600  14.61815       1.150288  -2.590885      2.122041  
1 1 1 -34 11 6  o 20.87732 1.298777  4.407171       0.5420229 4.229788       0.7639020 4.587022       0.7691979 -0.8539677     2.597553  
1 1 1 -34 11 7  o 39.28018 1.064330  15.50934       0.8346265 15.02864       1.140049  16.06456       1.225229  -1.297916      2.128660  
1 1 1 -34 11 8  o 34.90768 1.060555  12.26905       0.7402268 12.10792       1.032416  12.43951       1.061884  -0.4678917     2.121110  
1 1 1 -34 11 9  o 22.50761 1.237725  5.124339       0.5559912 5.459881       0.7820691 4.781454       0.7905806 1.509462       2.475449  
1 1 1 -34 11 10 f 27.65089 1.097759  7.702859       0.6062963 7.188380       0.8495395 8.236913       0.8655496 -1.892105      2.195518  
1 1 1 -34 11 11 o 27.80952 1.123170  7.791339       0.6243073 7.414053       0.8735013 8.185318       0.8926167 -1.381927      2.246339  
1 1 1 -34 11 12 o 34.65672 1.058814  12.04285       0.7322133 11.30943       0.9954511 12.90747       1.080821  -2.285515      2.117627  
1 1 1 -34 11 13 f 34.47883 1.041452  11.95665       0.7177073 11.64637       0.9936333 12.29513       1.037789  -0.9306374     2.082903  
1 1 1 -34 11 14 o 15.72438 1.545741  2.474784       0.4826242 2.904025       0.7313250 2.143621       0.6423633 2.387555       3.091483  
1 1 1 -34 11 15 o 35.30565 1.078926  12.55507       0.7617515 12.52281       1.068383  12.58841       1.086402  -0.8860016E-01 2.157853  
1 1 1 -34 11 16 o 11.34628 1.564287  1.633472       0.2181941 1.725525       0.2321822 0.9378221      0.6382702 3.547174       3.128573  
1 1 1 -34 11 17 o 53.51399 0.7099841 28.72734       0.7598683 28.48933       1.072112  28.96758       1.077138  -0.4460602     1.419968  
1 1 1 -34 11 18 o 38.33750 0.6196042 14.72902       0.4749483 14.24431       0.6661481 15.23017       0.6773484 -1.284214      1.239208  
1 1 1 -34 11 19 o 7.429659 1.912920  0.2054998      0.4423325 -0.5911564     0.6354630 0.9543266      0.6160918 -4.357048      3.825839  
1 1 1 -34 11 20 o 51.69109 0.7068506 26.78756       0.7305140 26.11547       1.017377  27.50287       1.049581  -1.336891      1.413701  
1 1 1 -34 11 21 o 26.09064 0.6210411 6.763145       0.3225965 7.538448       0.4844105 6.145277       0.4324406 2.662539       1.242082  
1 1 1 -34 11 22 o 39.18038 0.6411778 15.39148       0.5021728 15.40697       0.7220260 15.37697       0.6988978 0.3487778E-01  1.282356  
1 1 1 -34 11 23 o 7.201363 1.351808  0.5548304      0.2094426 0.2899435      0.3145390 0.7658321      0.2807291 -2.727427      2.703616  
1 1 1 -34 11 24 f 21.17426 0.6629227 4.491751       0.2804808 4.229446       0.3902752 4.771950       0.4033683 -1.279003      1.325845  
1 1 1 -34 11 25 o 22.18036 0.6647985 4.912839       0.2935174 4.280879       0.4020158 5.634305       0.4295428 -3.046572      1.329597  
1 1 1 -34 11 26 o 12.28357 0.9374909 1.525690       0.2287209 1.724031       0.3225602 1.325121       0.3243677 1.624168       1.874982  
1 1 1 -34 11 27 o 23.18738 0.6739417 5.386690       0.3122923 5.687541       0.4503793 5.108088       0.4334055 1.246622       1.347883  
1 1 1 -34 11 28 o 20.67230 0.7179803 4.291116       0.2966378 4.227331       0.4256621 4.351342       0.4136156 -0.3021202     1.435961  
1 1 1 -34 11 29 o 36.88136 0.6662847 13.64519       0.4913450 13.25049       0.6929691 14.04423       0.6967798 -1.075447      1.332569  
1 1 1 -34 11 30 o 37.50147 0.6756115 14.10470       0.5064781 14.20556       0.7289388 14.01056       0.7042364 0.2559280      1.351223  
1 1 1 -34 11 31 o 26.93233 0.8233230 7.288411       0.4434492 7.373643       0.6263683 7.202763       0.6278983 0.3175507      1.646646  
1 1 1 -34 11 32 o 13.54549 1.631147  0.000000       0.000000  ?              ?         1.852452       0.4418935 ?              ?         
1 1 1 -34 12 1  o 53.61683 2.417825  29.32732       2.592722  29.32732       2.592722  ?              ?         ?              ?         
1 1 1 -34 12 2  o 24.12312 1.261692  5.877665       0.6083869 5.687273       0.8437905 6.083811       0.8780075 -0.8112564     2.523384  
1 1 1 -34 12 3  o 33.53784 1.113567  11.34427       0.7467524 11.70005       1.064046  10.99896       1.048265  1.040817       2.227133  
1 1 1 -34 12 4  o 20.21770 1.371787  4.146650       0.5511263 4.767326       0.7908531 3.560640       0.7684502 2.976519       2.743573  
1 1 1 -34 12 5  o 33.21821 1.105824  11.13092       0.7345367 11.18448       1.030500  11.07560       1.047287  0.1685333      2.211648  
1 1 1 -34 12 6  o 34.65082 1.097386  12.11245       0.7599479 12.65848       1.075670  11.56833       1.073790  1.572544       2.194771  
1 1 1 -34 12 7  o 22.27003 1.297876  5.017871       0.5779258 5.114338       0.8140322 4.919835       0.8206288 0.4387627      2.595752  
1 1 1 -34 12 8  o 28.47809 1.131125  8.126935       0.6414981 7.169405       0.8719844 9.256527       0.9470936 -3.644245      2.262250  
1 1 1 -34 12 9  o 13.97120 1.843951  2.054809       0.4962305 2.138137       0.7136486 1.976804       0.6904768 0.5602818      3.687903  
1 1 1 -34 12 10 o 17.81090 1.480368  3.247672       0.5186322 3.939667       0.7367284 2.567834       0.7302283 3.848897       2.960736  
1 1 1 -34 12 11 o 20.83564 1.351563  4.383674       0.5578700 3.611984       0.7671577 5.249719       0.8127057 -3.915949      2.703126  
1 1 1 -34 12 12 o 22.85014 1.274147  5.273193       0.5820822 5.097746       0.8118289 5.458814       0.8350387 -0.7832375     2.548294  
1 1 1 -34 12 13 o 16.87046 1.531728  2.870914       0.5150006 3.214704       0.7620479 2.581899       0.6987087 1.853115       3.063456  
1 1 1 -34 12 14 o 32.20736 1.098314  10.41789       0.7062150 9.791171       0.9651907 11.14001       1.036047  -2.076048      2.196627  
1 1 1 -34 12 15 o 40.66206 1.081153  16.65471       0.8790152 16.43588       1.226595  16.88573       1.260322  -0.5447540     2.162306  
1 1 1 -34 12 16 f 43.85708 1.085887  19.36903       0.9521415 18.82512       1.325911  19.94814       1.368145  -1.269733      2.171774  
1 1 1 -34 12 17 o 15.16049 1.677196  2.395946       0.4910360 2.127089       0.7178382 2.632384       0.6731714 -1.898702      3.354392  
1 1 1 -34 12 18 o 12.88234 0.6757136 1.709750       0.1693698 1.383437       0.2539091 1.971340       0.2273377 -2.285904      1.351427  
1 1 1 -34 12 19 f 52.83190 0.7123969 28.00201       0.7526905 27.58053       1.057562  28.43468       1.071506  -0.8060379     1.424794  
1 1 1 -34 12 20 o 40.95716 0.6401429 16.67683       0.5217699 18.29080       0.7872795 15.41263       0.6967707 3.499928       1.280286  
1 1 1 -34 12 21 o 26.13902 0.6203386 6.865045       0.3234623 6.594223       0.4687811 7.111167       0.4468932 -0.9920807     1.240677  
1 1 1 -34 12 22 o 38.88681 0.6428339 15.09667       0.4986803 16.13441       0.7381609 14.22540       0.6763650 2.444908       1.285668  
1 1 1 -34 12 23 o 16.52460 0.7542096 2.738428       0.2476642 2.768463       0.3728211 2.714705       0.3313376 0.1549149      1.508419  
1 1 1 -34 12 24 o 30.57489 0.6391296 9.367039       0.3904909 9.567283       0.5662845 9.185501       0.5391865 0.6199818      1.278259  
1 1 1 -34 12 25 o 37.28132 0.6511917 13.86563       0.4837762 14.80474       0.7227595 13.10339       0.6511552 2.269997       1.302383  
1 1 1 -34 12 26 o 13.54296 0.9196033 1.830347       0.2475601 1.974223       0.3760387 1.720290       0.3288857 0.9266968      1.839207  
1 1 1 -34 12 27 o 24.93007 0.6884502 6.233910       0.3418721 6.253117       0.5071444 6.217911       0.4628467 0.6314468E-01  1.376900  
1 1 1 -34 12 28 o 32.05087 0.7169318 10.32364       0.4586171 10.57654       0.6333883 10.04493       0.6649254 0.8348293      1.433864  
1 1 1 -34 12 29 o 54.01203 0.9897606 29.37685       1.068785  29.25554       1.530654  29.49227       1.493029  -0.2283897     1.979521  
1 1 1 -34 12 30 o 21.23466 1.241099  0.000000       0.000000  ?              ?         4.534205       0.5270862 ?              ?         
1 1 1 -34 13 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 13 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 13 3  o 10.29801 2.227682  1.016966       0.5302820 0.4958975      0.7153302 1.652649       0.7900955 -4.214874      4.455364  
1 1 1 -34 13 4  o 44.18625 1.121274  19.69317       0.9905959 19.67684       1.383714  19.71034       1.418773  -0.2831650E-01 2.242549  
1 1 1 -34 13 5  f 30.67383 1.154490  9.447585       0.7060481 8.501640       0.9634745 10.54479       1.037652  -3.309454      2.308980  
1 1 1 -34 13 6  o 9.710276 2.094769  0.8679927      0.5009727 1.606511       0.7142267 0.1527645      0.7028745 5.080481       4.189538  
1 1 1 -34 13 7  o 21.19973 1.368934  4.540819       0.5777162 3.962987       0.7955135 5.185634       0.8403578 -2.868273      2.737867  
1 1 1 -34 13 8  o 8.067453 2.106026  0.4531752      0.4746389 0.3942765E-01  0.6619987 0.8908624      0.6808811 -2.757193      4.212052  
1 1 1 -34 13 9  o 19.04976 1.450118  3.682424       0.5512722 3.364708       0.7702329 4.016109       0.7893518 -1.702757      2.900236  
1 1 1 -34 13 10 o 22.54757 1.342465  5.158960       0.6008988 5.970097       0.8606063 4.387324       0.8393893 3.502758       2.684930  
1 1 1 -34 13 11 o 36.37327 1.107566  13.31735       0.8048818 12.69633       1.108775  14.00916       1.170261  -1.787666      2.215132  
1 1 1 -34 13 12 o 45.42705 1.116063  20.81734       1.013757  21.39485       1.437602  20.24612       1.429768  1.262207       2.232126  
1 1 1 -34 13 13 o 10.96587 2.142299  1.275925       0.4982007 0.9015337      0.7094991 1.640075       0.6997269 -2.850239      4.284599  
1 1 1 -34 13 14 o 51.39684 1.128259  26.62871       1.159222  27.76780       1.665054  25.55725       1.614873  2.136494       2.256518  
1 1 1 -34 13 15 o 20.37593 1.391926  4.215894       0.5658710 4.065217       0.8198056 4.353014       0.7820534 -0.7191715     2.783851  
1 1 1 -34 13 16 o 32.15918 1.128950  10.42664       0.7257096 10.21532       1.006027  10.65589       1.047868  -0.6732864     2.257899  
1 1 1 -34 13 17 o 22.01009 1.328947  4.914137       0.5822434 4.339103       0.8182497 5.503928       0.8286826 -2.642685      2.657893  
1 1 1 -34 13 18 o 26.47626 1.214884  7.041889       0.6402396 6.144595       0.8727134 8.087620       0.9421378 -3.648338      2.429768  
1 1 1 -34 13 19 o 14.91184 1.711222  2.269819       0.5103170 2.258542       0.7169865 2.281398       0.7265019 -0.7254314E-01 3.422444  
1 1 1 -34 13 20 o 9.272375 2.215984  0.8376173      0.4929906 0.6480289      0.7300771 0.9965203      0.6683882 -1.109208      4.431968  
1 1 1 -34 13 21 o 36.02716 1.126808  13.01718       0.8091138 14.58704       1.194704  11.68704       1.099709  3.997787       2.253617  
1 1 1 -34 13 22 o 33.91629 1.177081  11.62073       0.7963763 10.56224       1.116032  12.71888       1.136746  -3.173267      2.354163  
1 1 1 -34 13 23 o 36.93257 0.9937730 14.02279       0.6817955 12.93207       1.188117  14.55830       0.8325101 -2.286633      1.987546  
1 1 1 -34 13 24 f 13.86412 1.561699  1.852621       0.2812853 2.180463       0.8058854 1.807140       0.3001631 0.9002476      3.123397  
1 1 1 -34 13 25 o 10.44068 1.350176  1.218078       0.2551568 0.8555343      0.4259921 1.420919       0.3186390 -2.885460      2.700353  
1 1 1 -34 13 26 o 39.79124 0.9967397 16.14894       0.7513770 15.28284       1.269398  16.61606       0.9322300 -1.756729      1.993479  
1 1 1 -34 13 27 o 17.81807 0.8793033 3.146654       0.3110883 3.669006       0.4731247 2.748835       0.4128916 2.568771       1.758607  
1 1 1 -34 13 28 o 49.57003 1.298553  0.000000       0.000000  ?              ?         24.72332       1.287386  ?              ?         
1 1 1 -34 14 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 14 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 14 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 14 7  o 26.93409 1.757627  7.332400       0.9468013 7.332400       0.9468013 ?              ?         ?              ?         
1 1 1 -34 14 8  o 36.47966 1.148880  13.44132       0.8350538 14.95332       1.192286  11.98552       1.169921  4.061493       2.297759  
1 1 1 -34 14 9  o 51.65589 1.150494  26.93111       1.188344  27.54178       1.679540  26.31894       1.681605  1.184219       2.300987  
1 1 1 -34 14 10 o 9.389508 2.217577  0.8675993      0.4892871 0.9218607      0.6962323 0.8146507      0.6877586 0.4092789      4.435153  
1 1 1 -34 14 11 o 34.23154 1.146667  11.82627       0.7849391 11.95124       1.105128  11.69904       1.115082  0.3711662      2.293333  
1 1 1 -34 14 12 f 11.05354 2.168798  1.261661       0.5103074 1.756387       0.7537752 0.8430495      0.6933703 3.510267       4.337596  
1 1 1 -34 14 13 o 41.31382 1.135011  17.15626       0.9356151 18.88067       1.367457  15.63850       1.282906  3.900185       2.270023  
1 1 1 -34 14 14 o 22.48266 1.358541  5.124024       0.6103281 5.262647       0.8533928 4.978888       0.8732173 0.6377068      2.717081  
1 1 1 -34 14 15 o 35.66317 1.146995  12.83612       0.8175448 13.46569       1.162478  12.22001       1.149989  1.742924       2.293989  
1 1 1 -34 14 16 o 10.18197 2.028258  0.9862617      0.5073808 0.5450104E-01  0.7219595 1.895575       0.7132102 -6.350185      4.056515  
1 1 1 -34 14 17 f 10.41822 2.191227  1.139112       0.4986548 0.8712857      0.7224584 1.382798       0.6891302 -1.916375      4.382453  
1 1 1 -34 14 18 o 8.602523 2.213235  0.6361710      0.4981495 0.4559297      0.7374065 0.7874738      0.6756210 -0.9130688     4.426469  
1 1 1 -34 14 19 o 13.19381 2.103357  1.886212       0.5429058 1.556819       0.7979456 2.170118       0.7408044 -2.284822      4.206714  
1 1 1 -34 14 20 o 23.82641 1.334533  5.743643       0.6356173 5.839075       0.9163982 5.655169       0.8823647 0.3748474      2.669065  
1 1 1 -34 14 21 o 31.63883 1.772667  10.11908       1.121702  10.11908       1.121702  ?              ?         ?              ?         
1 1 1 -34 14 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 14 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 14 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 14 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -34 15 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 0  1  f 19.58440 0.9000250 3.895157       0.3491216 3.768007       0.4989377 4.017137       0.4886868 -0.000000      0.000000  
1 1 1 -33 0  2  o 33.99813 0.8249219 11.60923       0.5591408 11.89389       0.8077815 11.34739       0.7747421 -0.000000      0.000000  
1 1 1 -33 0  3  o 56.23249 1.007495  31.74457       1.131146  31.02545       1.577138  32.50633       1.623220  -0.000000      0.000000  
1 1 1 -33 0  4  o 30.72299 0.8245842 9.494702       0.5050467 9.656969       0.7178366 9.335643       0.7107047 -0.000000      0.000000  
1 1 1 -33 0  5  o 45.25120 0.8981372 20.55963       0.8112984 20.15491       1.136069  20.98084       1.158972  -0.000000      0.000000  
1 1 1 -33 0  6  o 47.39952 0.9204627 22.56190       0.8710855 22.28271       1.224556  22.84790       1.239380  -0.000000      0.000000  
1 1 1 -33 0  7  o 27.94600 0.8428314 7.864748       0.4691910 7.936235       0.6685143 7.795351       0.6586680 -0.000000      0.000000  
1 1 1 -33 0  8  o 25.32900 0.8529502 6.472239       0.4297423 6.539935       0.5996038 6.400735       0.6162322 -0.000000      0.000000  
1 1 1 -33 0  9  o 3.895750 1.712552  0.1178507      0.2600881 0.1523736      0.3373957 0.6729157E-01  0.4083060 -0.000000      0.000000  
1 1 1 -33 0  10 o 44.05386 0.9140435 19.49291       0.8037282 19.10018       1.130873  19.89376       1.142503  -0.000000      0.000000  
1 1 1 -33 0  11 o 31.03572 0.8530169 9.689335       0.5276685 9.547282       0.7388016 9.837255       0.7538995 -0.000000      0.000000  
1 1 1 -33 0  12 o 56.34924 1.032547  31.87804       1.161654  31.05634       1.622996  32.74117       1.663403  -0.000000      0.000000  
1 1 1 -33 0  13 o 78.73489 1.291236  62.29498       2.030159  61.22565       2.825831  63.43565       2.918571  -0.000000      0.000000  
1 1 1 -33 0  14 o 25.05399 0.8817219 6.349177       0.4383862 6.729701       0.6132551 5.951512       0.6269141 -0.000000      0.000000  
1 1 1 -33 0  15 o 35.64481 0.8689519 12.77087       0.6174052 12.73202       0.8562946 12.81294       0.8910264 -0.000000      0.000000  
1 1 1 -33 0  16 o 47.60749 0.9497343 22.73593       0.9020836 23.59787       1.305219  21.94770       1.248170  -0.000000      0.000000  
1 1 1 -33 0  17 o 22.15792 0.9393374 4.996622       0.4109910 5.368049       0.5692697 4.592256       0.5939752 -0.000000      0.000000  
1 1 1 -33 0  18 o 10.07094 1.861508  1.279342       0.3259219 1.562338       0.4278491 0.8880700      0.5030828 -0.000000      0.000000  
1 1 1 -33 0  19 o 52.62133 1.251214  27.92827       1.228986  28.00810       1.496338  27.76279       2.154398  -0.000000      0.000000  
1 1 1 -33 0  20 o 4.216515 2.623641  0.1380846      0.4337263 0.1380846      0.4337263 0.1380846      0.4337263 -0.000000      0.000000  
1 1 1 -33 0  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 0  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 0  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 0  24 o 12.63972 3.739122  1.985361       0.8208776 1.985361       0.8208776 1.985361       0.8208776 -0.000000      0.000000  
1 1 1 -33 0  25 o 28.00996 1.389637  7.922058       0.7743967 7.922058       0.7743967 7.922058       0.7743967 -0.000000      0.000000  
1 1 1 -33 0  26 o 4.258617 1.837274  -0.3320285     0.3418923 -0.9798985     0.4478621 0.5728542      0.5292935 -0.000000      0.000000  
1 1 1 -33 0  27 f 50.17907 1.008855  25.29321       1.010315  24.90056       1.406772  25.71144       1.451898  -0.000000      0.000000  
1 1 1 -33 0  28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 0  29 o 21.06797 1.069306  4.515038       0.4443673 4.464788       0.6026025 4.574933       0.6578919 -0.000000      0.000000  
1 1 1 -33 0  30 o 47.23519 0.9944078 22.42178       0.9373288 23.16474       1.338191  21.70617       1.313325  -0.000000      0.000000  
1 1 1 -33 0  31 o 5.176894 2.127306  0.2625841      0.3673475 0.2433157E-01  0.4850240 0.5831172      0.5625756 -0.000000      0.000000  
1 1 1 -33 0  32 o 32.73044 0.9595736 10.78678       0.6255208 10.51117       0.8686465 11.08363       0.9015084 -0.000000      0.000000  
1 1 1 -33 0  33 o 3.999899 1.868740  -0.8276512E-01 0.3714424 -0.1554547     0.4971645 0.9072525E-02  0.5588229 -0.000000      0.000000  
1 1 1 -33 0  34 o 6.935613 2.104716  0.6093431      0.3865283 1.192238       0.5385682 -0.9825181E-02 0.5550726 -0.000000      0.000000  
1 1 1 -33 0  35 o 20.73044 1.178887  4.367646       0.4804467 4.085977       0.6433090 4.722898       0.7224678 -0.000000      0.000000  
1 1 1 -33 0  36 f 17.73403 1.343594  3.189171       0.4647988 2.445699       0.6235737 4.118640       0.6972252 -0.000000      0.000000  
1 1 1 -33 0  37 f 9.755531 2.286987  1.267674       0.4058107 1.456141       0.5402958 1.023742       0.6146786 -0.000000      0.000000  
1 1 1 -33 0  38 f 8.814937 2.496836  1.087826       0.4233163 1.056779       0.5652498 1.127476       0.6387929 -0.000000      0.000000  
1 1 1 -33 0  39 o 5.287358 2.222605  0.3290033      0.4028723 0.3924153      0.5299103 0.2421489      0.6201726 -0.000000      0.000000  
1 1 1 -33 0  40 o 5.426968 2.273355  0.3002500      0.4256493 0.8415051E-01  0.5708867 0.5707619      0.6387283 -0.000000      0.000000  
1 1 1 -33 0  41 o 6.158174 2.359567  0.4891493      0.4448056 0.8481649      0.6067688 0.7209013E-01  0.6539814 -0.000000      0.000000  
1 1 1 -33 0  42 o 34.81001 1.070339  12.22376       0.7418272 12.60676       1.067499  11.86608       1.031625  -0.000000      0.000000  
1 1 1 -33 0  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 1  1  o 41.17324 0.6089485 16.96728       0.5011993 17.55690       0.7224718 16.42025       0.6958814 1.377457       1.217897  
1 1 1 -33 1  2  o 31.10414 0.5788342 9.678789       0.3597122 10.32023       0.5179651 9.081230       0.4999335 1.989857       1.157668  
1 1 1 -33 1  3  f 34.63130 0.5874865 12.00721       0.4067534 12.47960       0.5822944 11.55705       0.5684286 1.330524       1.174973  
1 1 1 -33 1  4  o 61.99173 0.7577183 38.53068       0.9392840 38.08450       1.313678  38.99736       1.343521  -0.7322998     1.515437  
1 1 1 -33 1  5  o 43.17249 0.6231222 18.64489       0.5375889 19.44231       0.7796562 17.92214       0.7422532 1.756500       1.246244  
1 1 1 -33 1  6  o 30.51309 0.5835896 9.324244       0.3561077 9.171387       0.4996772 9.482015       0.5076420 -0.5082016     1.167179  
1 1 1 -33 1  7  o 64.37418 0.7796707 41.52908       1.003298  42.57806       1.447507  40.55915       1.391884  1.560669       1.559341  
1 1 1 -33 1  8  o 23.89098 0.6009640 5.715169       0.2870886 5.593635       0.4009709 5.843003       0.4112327 -0.5208454     1.201928  
1 1 1 -33 1  9  o 20.95587 0.6351273 4.393376       0.2653916 4.887468       0.3831622 3.937759       0.3679413 2.264368       1.270255  
1 1 1 -33 1  10 f 31.31215 0.5912213 9.780412       0.3694699 9.036270       0.5050371 10.63725       0.5419304 -2.552889      1.182443  
1 1 1 -33 1  11 o 31.90101 0.5938615 10.19140       0.3788590 10.33593       0.5403442 10.05164       0.5313441 0.4447155      1.187723  
1 1 1 -33 1  12 o 18.75620 0.6879520 3.508114       0.2567868 3.046843       0.3510246 4.039128       0.3766285 -2.642378      1.375904  
1 1 1 -33 1  13 o 32.31100 0.6060610 10.45602       0.3916039 10.36629       0.5488442 10.54908       0.5589163 -0.2818794     1.212122  
1 1 1 -33 1  14 f 57.24768 0.7307177 32.78649       0.8355433 31.61514       1.146368  34.11396       1.220375  -2.173763      1.461435  
1 1 1 -33 1  15 f 12.96618 0.9319035 1.681163       0.2409693 1.773578       0.3576232 1.604314       0.3261159 0.6479807      1.863807  
1 1 1 -33 1  16 o 32.97209 0.7322109 11.12223       0.4649026 10.00270       0.7464888 11.83158       0.5942064 -2.791105      1.464422  
1 1 1 -33 1  17 o 35.95992 0.8635594 12.97706       0.6209767 13.23257       0.8780063 12.72133       0.8783813 0.7108994      1.727119  
1 1 1 -33 1  18 o 11.51143 1.434890  1.340984       0.3214587 1.156962       0.4287699 1.577186       0.4857694 -1.984484      2.869780  
1 1 1 -33 1  19 o 61.48439 0.9974137 37.81382       1.198206  37.21400       1.532644  38.75674       1.921613  -1.190002      1.994827  
1 1 1 -33 1  20 o 33.10526 0.7653821 10.94906       0.4786986 10.86540       0.5864066 11.11615       0.8287829 -0.3476601     1.530764  
1 1 1 -33 1  21 o 42.50238 0.6558620 18.07635       0.5571111 18.86566       0.8061492 17.35476       0.7707878 1.773438       1.311724  
1 1 1 -33 1  22 o 36.02898 0.6400329 13.00646       0.4611621 12.79088       0.6499355 13.22504       0.6544512 -0.6020126     1.280066  
1 1 1 -33 1  23 o 34.50266 0.6370955 11.91814       0.4394329 11.47531       0.6117927 12.39008       0.6315838 -1.323444      1.274191  
1 1 1 -33 1  24 o 34.45020 0.7010407 11.73595       0.4755063 11.04180       0.6129803 12.78483       0.7534962 -2.512436      1.402081  
1 1 1 -33 1  25 o 39.88432 0.8012951 15.71317       0.5989565 15.27559       0.7246075 16.65708       1.064247  -1.684406      1.602590  
1 1 1 -33 1  26 o 52.35358 1.235894  27.51346       1.294069  27.51346       1.294069  ?              ?         ?              ?         
1 1 1 -33 1  27 o 34.39632 0.9494478 11.88098       0.6528044 11.98946       0.9404262 11.78009       0.9068961 0.2987137      1.898896  
1 1 1 -33 1  28 o 51.66277 1.033719  26.78265       1.066792  27.87969       1.556437  25.81065       1.465049  1.985500       2.067437  
1 1 1 -33 1  29 o 33.39842 0.9570537 11.21718       0.6385871 10.65052       0.9051892 11.77863       0.9010221 -1.689606      1.914107  
1 1 1 -33 1  30 o 40.81279 0.9725208 16.68901       0.7923737 17.60281       1.164495  15.90113       1.081296  2.069439       1.945042  
1 1 1 -33 1  31 o 29.01994 0.9879178 8.446086       0.5720690 8.761211       0.8436179 8.177820       0.7783710 0.9925652      1.975836  
1 1 1 -33 1  32 f 17.33633 1.264958  3.265182       0.4049799 2.235786       0.6417445 3.946423       0.5220608 -4.961936      2.529916  
1 1 1 -33 1  33 o 5.516942 1.613139  0.1751710E-01  0.3165196 -0.6781911     0.5775979 0.3160987      0.3783934 -1.470376      3.226278  
1 1 1 -33 1  34 o 15.43140 1.329047  2.573813       0.3613842 2.032954       0.6568063 2.808641       0.4327832 -2.572090      2.658095  
1 1 1 -33 1  35 o 30.78443 0.8758464 9.114109       0.4990174 10.59881       0.9254416 8.505445       0.5925416 3.335463       1.751693  
1 1 1 -33 1  36 o 9.091382 1.705853  0.9476787      0.3330736 0.3050321      0.6296242 1.197405       0.3924888 -3.591752      3.411706  
1 1 1 -33 1  37 o 8.636813 1.910180  0.7121779      0.3861158 0.3588106      0.5328087 1.102994       0.5603307 -3.133763      3.820360  
1 1 1 -33 1  38 o 31.70782 0.7573705 10.06481       0.4765705 10.29737       0.7239261 9.886943       0.6331112 0.6315231      1.514741  
1 1 1 -33 1  39 f 8.438190 1.495174  0.6839583      0.3116451 -0.1592715E-01 0.4499986 1.329027       0.4320166 -6.044260      2.990349  
1 1 1 -33 1  40 f 38.75681 0.7654196 14.98572       0.5875670 15.76061       0.9049201 14.42091       0.7725756 1.703014       1.530839  
1 1 1 -33 1  41 o 27.99852 0.8110273 7.821034       0.4513446 8.347043       0.6851274 7.417726       0.5999207 1.642385       1.622055  
1 1 1 -33 1  42 o 23.26721 1.102771  5.524698       0.4777012 5.276045       0.8369270 5.644851       0.5817799 -0.8598862     2.205543  
1 1 1 -33 1  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 2  1  f 14.13017 0.7276756 2.008014       0.2047201 2.225074       0.2893660 1.790499       0.2896701 1.537794       1.455351  
1 1 1 -33 2  2  o 35.15321 0.5829003 12.36748       0.4096159 12.89556       0.5887043 11.87190       0.5703024 1.454105       1.165801  
1 1 1 -33 2  3  o 42.65534 0.6175132 18.22899       0.5267991 18.32392       0.7469897 18.13507       0.7430390 0.2209320      1.235026  
1 1 1 -33 2  4  o 7.589329 1.257838  0.6068830      0.1877354 0.6588336      0.2582124 0.5486256      0.2734370 0.6992803      2.515676  
1 1 1 -33 2  5  f 34.77925 0.5901407 12.11302       0.4104059 11.93692       0.5732382 12.29820       0.5878404 -0.5178719     1.180281  
1 1 1 -33 2  6  o 80.85656 0.9263471 65.65054       1.497963  66.09988       2.130332  65.21110       2.106743  0.5457916      1.852694  
1 1 1 -33 2  7  o 31.78659 0.5867640 10.12123       0.3730099 10.17692       0.5261622 10.06497       0.5288796 0.1763840      1.173528  
1 1 1 -33 2  8  o 60.18853 0.7461506 36.28571       0.8976294 37.38984       1.297929  35.27347       1.242747  1.751091       1.492301  
1 1 1 -33 2  9  o 34.03638 0.5902861 11.59998       0.4017377 11.41685       0.5610712 11.79265       0.5754892 -0.5506325     1.180572  
1 1 1 -33 2  10 o 5.530346 1.373835  0.2691284      0.1884335 0.2412389      0.2574094 0.3013298      0.2765941 -0.4248400     2.747670  
1 1 1 -33 2  11 o 35.48826 0.6007892 12.55521       0.4253969 11.59216       0.5793514 13.68186       0.6266307 -2.939537      1.201578  
1 1 1 -33 2  12 o 27.69348 0.7016074 7.567274       0.3717998 8.091890       0.6340190 7.292311       0.4590071 1.423613       1.403215  
1 1 1 -33 2  13 o 41.94514 0.8669984 17.63960       0.7270004 18.20377       1.047152  17.11463       1.010116  1.293041       1.733997  
1 1 1 -33 2  14 o 37.40339 0.8444821 14.02861       0.6315328 14.51241       0.9041965 13.56780       0.8824453 1.259739       1.688964  
1 1 1 -33 2  15 o 47.58855 0.9241669 22.71631       0.8792039 22.03412       1.221771  23.44900       1.266183  -1.479870      1.848334  
1 1 1 -33 2  16 o 19.44199 0.8454185 3.793999       0.3106048 3.797206       0.3813994 3.787684       0.5352218 0.4552841E-01  1.690837  
1 1 1 -33 2  17 o 6.915227 1.389215  0.4871267      0.2069897 0.6496584      0.2954249 0.3303981      0.2901029 1.910087       2.778430  
1 1 1 -33 2  18 f 16.74516 0.7561358 2.811568       0.2532303 2.795879       0.3577572 2.827322       0.3584873 -0.9379387E-01 1.512272  
1 1 1 -33 2  19 o 13.57141 0.8785771 1.848967       0.2384247 1.814506       0.3380713 1.883067       0.3363025 -0.2528543     1.757154  
1 1 1 -33 2  20 o 21.30752 0.6824419 4.552035       0.2907124 4.439237       0.4130007 4.662812       0.4092833 -0.5250721     1.364884  
1 1 1 -33 2  21 o 24.86507 0.6430845 6.193237       0.3196769 6.262160       0.4597007 6.128695       0.4448478 0.2667236      1.286169  
1 1 1 -33 2  22 f 22.25145 0.6810383 4.943981       0.3025082 5.337650       0.4434249 4.601259       0.4137386 1.651167       1.362077  
1 1 1 -33 2  23 f 27.60538 0.6494198 7.635591       0.3585080 7.801643       0.5098719 7.473218       0.5041896 0.5942097      1.298840  
1 1 1 -33 2  24 o 41.98214 0.7312145 17.19162       0.5958297 15.82467       0.7447656 19.62216       0.9931007 -4.490723      1.462429  
1 1 1 -33 2  25 o 19.04086 0.7933723 3.624813       0.3004527 4.192343       0.4380910 3.120819       0.4128410 2.810234       1.586745  
1 1 1 -33 2  26 o 41.96596 0.6641759 17.65057       0.5574427 17.52571       0.7887378 17.77518       0.7879489 -0.2973213     1.328352  
1 1 1 -33 2  27 o 63.80676 0.8032677 40.84321       1.025048  40.60616       1.442875  41.08476       1.456494  -0.3731003     1.606535  
1 1 1 -33 2  28 o 21.80483 0.7522215 4.768119       0.3280331 4.783783       0.4658392 4.752711       0.4620022 0.7073021E-01  1.504443  
1 1 1 -33 2  29 o 45.45083 0.6923138 20.61009       0.6278068 19.13448       0.8538153 22.34694       0.9263155 -3.524715      1.384628  
1 1 1 -33 2  30 o 53.18872 0.7407284 28.37372       0.7879373 28.42269       1.119676  28.32568       1.109024  0.8969116E-01  1.481457  
1 1 1 -33 2  31 o 44.32758 0.6989596 19.70255       0.6196588 19.74357       0.8784068 19.66191       0.8742679 0.9153366E-01  1.397919  
1 1 1 -33 2  32 o 61.21108 0.7967709 37.60167       0.9754134 37.52757       1.375693  37.67659       1.383224  -0.1205254     1.593542  
1 1 1 -33 2  33 o 9.208949 1.576878  0.9303356      0.2997421 1.184365       0.3844957 0.5367726      0.4785821 3.250602       3.153756  
1 1 1 -33 2  34 o 36.09067 0.7572589 12.91168       0.5362505 12.29868       0.6872214 13.86602       0.8574734 -2.143940      1.514518  
1 1 1 -33 2  35 o 23.12118 0.9524634 5.338251       0.4196612 5.252396       0.5179487 5.502326       0.7160202 -0.4987221     1.904927  
1 1 1 -33 2  36 o 6.927168 1.807152  0.3581996      0.3166511 0.2749496      0.3879428 0.5243757      0.5481000 -1.631854      3.614305  
1 1 1 -33 2  37 o 8.794285 1.765617  0.6947440      0.3308782 0.3834178      0.4118457 1.261523       0.5556912 -4.219472      3.531235  
1 1 1 -33 2  38 o 6.990582 1.819597  0.4025981      0.3364017 0.5155660      0.4246050 0.2121408      0.5513235 0.6662936      3.639194  
1 1 1 -33 2  39 o 24.85498 0.9775006 6.210023       0.4550905 6.195964       0.5537055 6.239293       0.7989203 -0.3076935E-01 1.955001  
1 1 1 -33 2  40 o 35.41419 0.8915974 12.63358       0.5936914 12.67473       0.7259135 12.55043       1.031743  0.2430115      1.783195  
1 1 1 -33 2  41 o 23.86165 1.011739  5.785406       0.4502659 5.879252       0.5483552 5.591166       0.7888964 0.6625557      2.023478  
1 1 1 -33 2  42 o 9.791375 2.421912  0.9107962      0.5604432 0.9873345      0.6691532 0.7309462      1.025749  0.9315491E-02  4.843824  
1 1 1 -33 2  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 3  1  o 9.286901 1.396917  0.9475687      0.2273957 0.7501268      0.4435309 1.017974       0.2648536 -1.561249      2.793834  
1 1 1 -33 3  2  f 12.29665 0.7855728 1.523361       0.1923501 1.633465       0.2668656 1.404313       0.2774940 0.9332409      1.571146  
1 1 1 -33 3  3  o 32.41809 0.5795022 10.49486       0.3749696 11.47327       0.5459639 9.621284       0.5158875 2.853333       1.159004  
1 1 1 -33 3  4  o 25.66597 0.5779998 6.600675       0.2965927 6.723312       0.4166068 6.474635       0.4223429 0.4850349      1.156000  
1 1 1 -33 3  5  o 37.28328 0.5948022 13.92587       0.4434854 14.12372       0.6267918 13.72752       0.6275751 0.5314255      1.189604  
1 1 1 -33 3  6  o 15.41101 0.7213984 2.373559       0.2209262 2.021049       0.3035490 2.770605       0.3221541 -2.429539      1.442797  
1 1 1 -33 3  7  o 53.46299 0.6938663 28.64643       0.7418665 29.06731       1.056675  28.23733       1.041799  0.7744217      1.387733  
1 1 1 -33 3  8  o 29.01507 0.5902187 8.423669       0.3423007 8.154507       0.4742584 8.716358       0.4945516 -0.9661331     1.180437  
1 1 1 -33 3  9  o 16.42097 0.7172621 2.706623       0.2351582 2.882938       0.3320548 2.529223       0.3330753 1.077149       1.434524  
1 1 1 -33 3  10 o 69.06966 1.059456  48.20729       1.451288  45.83080       2.166404  50.14210       1.954741  -3.158859      2.118912  
1 1 1 -33 3  11 o 5.441641 1.455874  0.1028384      0.2351169 -0.1470219     0.3090715 0.4460411      0.3622309 -2.755329      2.911747  
1 1 1 -33 3  12 o 20.38693 0.8425027 4.160912       0.3429578 4.016589       0.4690206 4.326750       0.5027671 -0.7559319     1.685005  
1 1 1 -33 3  13 o 26.97166 0.6371588 7.293648       0.3423374 7.346658       0.4648110 7.230804       0.5060961 0.2191410      1.274318  
1 1 1 -33 3  14 o 20.93126 0.6570789 4.384917       0.2741002 3.897388       0.3802930 4.912007       0.3954218 -2.422043      1.314158  
1 1 1 -33 3  15 f 11.34140 0.9560081 1.290232       0.2165643 1.200052       0.3010495 1.386948       0.3117681 -0.8222446     1.912016  
1 1 1 -33 3  16 o 50.66490 0.6845286 25.67839       0.6929068 24.68673       0.9536605 26.78731       1.008471  -2.066727      1.369057  
1 1 1 -33 3  17 o 22.33390 0.6376920 4.996700       0.2848086 5.061107       0.4066640 4.934696       0.3990056 0.2821789      1.275384  
1 1 1 -33 3  18 o 8.084419 1.258775  0.6846735      0.2128712 0.2877007      0.3000910 1.086736       0.3020087 -4.627820      2.517550  
1 1 1 -33 3  19 o 34.83783 0.6211159 12.16019       0.4327264 11.96703       0.6118792 12.35347       0.6120558 -0.5546112     1.242232  
1 1 1 -33 3  20 o 19.11037 0.7114623 3.662228       0.2714541 3.642016       0.3951365 3.680292       0.3735598 -0.1028061     1.422925  
1 1 1 -33 3  21 o 15.65719 0.8187206 2.466698       0.2556211 2.294350       0.3661624 2.630543       0.3570167 -1.074908      1.637441  
1 1 1 -33 3  22 o 7.926124 1.644016  0.6524856      0.2871310 0.8359303      0.3847991 0.4220294      0.4312963 1.975766       3.288031  
1 1 1 -33 3  23 o 35.94087 0.6427608 12.93768       0.4618076 12.38584       0.6459716 13.51454       0.6604586 -1.568588      1.285522  
1 1 1 -33 3  24 o 25.89290 0.6654701 6.707859       0.3443080 7.094495       0.4981273 6.354147       0.4764460 1.427088       1.330940  
1 1 1 -33 3  25 o 47.94701 0.6923860 23.04002       0.6638932 22.63406       0.9321260 23.45796       0.9457969 -0.8575096     1.384772  
1 1 1 -33 3  26 o 27.15582 0.6694719 7.331553       0.3621288 8.213217       0.5402070 6.612023       0.4880158 2.941971       1.338944  
1 1 1 -33 3  27 o 26.94947 0.6705921 7.271366       0.3611403 7.464253       0.5238150 7.096618       0.4985783 0.6790524      1.341184  
1 1 1 -33 3  28 o 26.82006 0.6783513 7.176231       0.3621002 6.241135       0.4953780 8.249065       0.5306094 -3.738991      1.356703  
1 1 1 -33 3  29 o 19.93835 0.7703630 3.985818       0.3071012 3.905773       0.4278755 4.070864       0.4410370 -0.4121037     1.540726  
1 1 1 -33 3  30 o 43.48893 0.6868230 18.92066       0.5967367 17.94253       0.8222682 20.00902       0.8673625 -2.369888      1.373646  
1 1 1 -33 3  31 o 60.16265 0.7867821 36.31730       0.9466454 35.82533       1.331478  36.82019       1.346160  -0.8245239     1.573564  
1 1 1 -33 3  32 o 35.43451 0.6776997 12.58962       0.4802348 12.40907       0.6797931 12.76950       0.6785178 -0.5087585     1.355399  
1 1 1 -33 3  33 f 41.61395 0.6971284 17.33059       0.5794547 18.04814       0.8462085 16.69707       0.7951207 1.616032       1.394257  
1 1 1 -33 3  34 o 16.67855 0.9131316 2.792643       0.3043985 2.895366       0.4401389 2.698463       0.4214388 0.5865631      1.826263  
1 1 1 -33 3  35 o 8.111622 1.627509  0.6863348      0.2762977 0.7174462      0.3899377 0.6549647      0.3915554 0.3246818      3.255018  
1 1 1 -33 3  36 o 14.82635 1.034058  2.219680       0.3039259 2.595047       0.4347144 1.860767       0.4250798 2.474092       2.068117  
1 1 1 -33 3  37 o 34.87537 0.6997740 12.19872       0.4879550 11.79281       0.6855569 12.61550       0.6946787 -1.178043      1.399548  
1 1 1 -33 3  38 o 24.40929 0.7857085 5.976780       0.3833715 6.152299       0.5532080 5.814603       0.5317659 0.6878300      1.571417  
1 1 1 -33 3  39 o 34.40820 0.7216594 11.85921       0.4960771 12.64159       0.7181444 11.14515       0.6860721 2.168919       1.443319  
1 1 1 -33 3  40 o 6.682103 1.644568  0.3091050      0.2973221 0.7158116      0.4360172 -0.4437875E-01 0.4064880 3.247861       3.289137  
1 1 1 -33 3  41 o 38.78314 0.7231587 15.06524       0.5602987 15.75406       0.8163021 14.45163       0.7704485 1.671001       1.446317  
1 1 1 -33 3  42 f 40.93032 1.492040  0.000000       0.000000  ?              ?         16.88408       1.221393  ?              ?         
1 1 1 -33 4  1  o 42.55560 0.7962574 18.42465       0.6228601 18.83839       0.7505857 17.50966       1.116210  1.612343       1.592515  
1 1 1 -33 4  2  f 39.85690 0.9245586 15.95489       0.7369615 16.06619       1.039360  15.84236       1.045105  0.2817383      1.849117  
1 1 1 -33 4  3  o 32.93057 0.7631021 10.83656       0.4601990 10.97356       0.8438654 10.77857       0.5490255 0.2570839      1.526204  
1 1 1 -33 4  4  o 47.45972 0.6494090 22.54651       0.6159153 21.98072       0.8505065 23.17043       0.8931273 -1.248505      1.298818  
1 1 1 -33 4  5  o 10.06969 0.9176665 1.011987       0.1842435 0.9288255      0.2494720 1.111771       0.2732705 -0.9045467     1.835333  
1 1 1 -33 4  6  o 45.39569 0.6384702 20.64880       0.5796582 20.87796       0.8222354 20.42238       0.8173078 0.5012360      1.276940  
1 1 1 -33 4  7  f 18.50164 0.7226083 3.428591       0.2627922 3.450369       0.4121616 3.413673       0.3411240 0.9018326E-01  1.445217  
1 1 1 -33 4  8  o 37.08117 0.7939097 13.74576       0.5877704 14.72096       0.8611846 12.89535       0.8042036 2.453716       1.587819  
1 1 1 -33 4  9  o 44.42477 0.8612975 19.79550       0.7650228 19.23542       1.066828  20.38840       1.097641  -1.293060      1.722595  
1 1 1 -33 4  10 o 45.00884 0.7605948 20.53224       0.6613571 21.20351       0.8411664 19.44547       1.070289  1.982773       1.521190  
1 1 1 -33 4  11 o 32.92425 0.5948803 10.79315       0.3905334 9.884584       0.5293144 11.87865       0.5785608 -3.023214      1.189761  
1 1 1 -33 4  12 f 25.39810 0.5967926 6.459082       0.3030467 6.698928       0.4330319 6.228866       0.4242485 0.9244919      1.193585  
1 1 1 -33 4  13 o 13.05069 0.8064787 1.708815       0.2103915 1.779648       0.2985212 1.638908       0.2965655 0.5389376      1.612957  
1 1 1 -33 4  14 o 11.45838 0.9120168 1.319573       0.2076193 1.522775       0.2981672 1.128316       0.2892710 1.719895       1.824034  
1 1 1 -33 4  15 o 30.93291 0.5981893 9.579313       0.3698767 9.147385       0.5168256 10.03282       0.5295768 -1.429913      1.196379  
1 1 1 -33 4  16 o 39.50096 0.6262658 15.62386       0.4946090 16.01140       0.7102767 15.25901       0.6891665 0.9500999      1.252532  
1 1 1 -33 4  17 o 28.94659 0.6094114 8.393721       0.3526996 8.114282       0.4962830 8.678886       0.5013408 -0.9747238     1.218823  
1 1 1 -33 4  18 o 60.20228 0.7588365 36.34019       0.9135837 36.70790       1.303209  35.98486       1.281080  0.5975990      1.517673  
1 1 1 -33 4  19 f 39.54148 0.6404470 15.65450       0.5062709 15.08392       0.7053010 16.26097       0.7271491 -1.485939      1.280894  
1 1 1 -33 4  20 o 44.85927 0.8990569 20.16450       0.8057543 21.08221       1.173104  19.34487       1.108644  1.926270       1.798114  
1 1 1 -33 4  21 o 33.93770 0.6204301 11.53334       0.4209674 11.77046       0.6053553 11.31129       0.5858017 0.6743507      1.240860  
1 1 1 -33 4  22 o 21.91657 0.6727801 4.777753       0.2934447 5.498005       0.4348875 4.175711       0.3976015 3.012243       1.345560  
1 1 1 -33 4  23 o 14.32490 0.8793385 2.062450       0.2515809 1.997671       0.3617209 2.123148       0.3501398 -0.4397640     1.758677  
1 1 1 -33 4  24 o 16.40996 0.8250682 2.721291       0.2666882 2.157616       0.3735614 3.307183       0.3808523 -3.501606      1.650136  
1 1 1 -33 4  25 o 42.49686 0.6613557 18.09010       0.5618318 18.37874       0.8097702 17.82218       0.7801573 0.6513634      1.322711  
1 1 1 -33 4  26 o 31.09669 0.6458007 9.684605       0.4012744 9.819084       0.5817730 9.562569       0.5542057 0.4092712      1.291601  
1 1 1 -33 4  27 o 26.24689 0.6758125 6.886316       0.3542663 7.294894       0.5175442 6.526082       0.4859623 1.460705       1.351625  
1 1 1 -33 4  28 o 9.119074 1.392562  0.8706025      0.2473048 1.058905       0.3571064 0.6970708      0.3428147 1.942633       2.785123  
1 1 1 -33 4  29 o 37.12641 0.6639870 13.76135       0.4919490 12.63869       0.6733166 15.04694       0.7205216 -3.237316      1.327974  
1 1 1 -33 4  30 f 27.72226 0.6838619 7.685936       0.3786335 7.173312       0.5217702 8.256165       0.5503060 -1.949200      1.367724  
1 1 1 -33 4  31 f 38.89187 0.6752894 15.14702       0.5248724 14.36648       0.7295882 15.98435       0.7556617 -2.076447      1.350579  
1 1 1 -33 4  32 f 33.35350 0.6798940 11.14076       0.4532582 11.54871       0.6550075 10.76592       0.6278616 1.169750       1.359788  
1 1 1 -33 4  33 f 17.22926 0.9015289 2.978412       0.3086659 3.459972       0.4473960 2.540991       0.4263997 2.662938       1.803058  
1 1 1 -33 4  34 o 36.96127 0.6845391 13.70328       0.5058662 13.63479       0.7236267 13.76875       0.7074534 -0.1836891     1.369078  
1 1 1 -33 4  35 o 16.30671 0.9574612 2.674461       0.3119900 2.823351       0.4441332 2.529413       0.4383644 0.9000540      1.914922  
1 1 1 -33 4  36 o 30.94084 0.7040750 9.591021       0.4353677 9.910851       0.6308130 9.300100       0.6016291 0.9824238      1.408150  
1 1 1 -33 4  37 o 31.13630 0.7093867 9.729878       0.4415738 9.471021       0.6270706 9.984502       0.6219206 -0.8254013     1.418773  
1 1 1 -33 4  38 o 18.72869 0.8831493 3.531045       0.3302180 3.416867       0.4765026 3.636547       0.4580416 -0.5903168     1.766299  
1 1 1 -33 4  39 f 19.58238 0.8844124 3.855798       0.3463748 3.865364       0.4891898 3.846180       0.4905085 0.4927254E-01  1.768825  
1 1 1 -33 4  40 o 36.01539 0.7232956 12.96050       0.5197937 14.14370       0.7640730 11.94117       0.7091899 3.047821       1.446591  
1 1 1 -33 4  41 o 8.223689 1.704635  0.6988719      0.2990429 0.6135626      0.4135067 0.7924082      0.4329867 -0.9191113     3.409271  
1 1 1 -33 4  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 5  1  o 24.70794 0.9940342 6.133079       0.4891188 5.397511       0.6799124 6.922050       0.7041618 -3.080694      1.988068  
1 1 1 -33 5  2  o 33.85918 0.5702447 11.44604       0.3855218 10.78558       0.5275030 12.20328       0.5648291 -2.089684      1.140489  
1 1 1 -33 5  3  o 38.48379 0.5897642 14.76457       0.4527277 13.85683       0.6136714 15.84861       0.6706194 -2.581833      1.179528  
1 1 1 -33 5  4  o 10.43371 1.348608  1.051671       0.2198552 1.008541       0.2438401 1.239124       0.5083438 -0.8192711     2.697217  
1 1 1 -33 5  5  o 33.09390 1.344824  0.000000       0.000000  ?              ?         11.00150       0.8901095 ?              ?         
1 1 1 -33 5  6  o 28.31414 1.016748  0.000000       0.000000  ?              ?         8.037570       0.5757668 ?              ?         
1 1 1 -33 5  7  o 33.21998 0.6979266 11.11620       0.4607135 11.63869       0.6264474 10.50069       0.6799282 1.719383       1.395853  
1 1 1 -33 5  8  o 44.19267 0.6322188 19.56367       0.5586382 19.36064       0.7794775 19.77808       0.8010306 -0.4698868     1.264438  
1 1 1 -33 5  9  o 43.95908 0.6325611 19.35252       0.5559855 19.80782       0.7976016 18.92218       0.7754312 1.004883       1.265122  
1 1 1 -33 5  10 o 59.56984 0.7468268 35.47872       0.8880810 33.94812       1.211213  37.25828       1.306010  -2.765968      1.493654  
1 1 1 -33 5  11 f 24.60018 0.5972853 6.046494       0.2934809 6.432496       0.4277661 5.703223       0.4033947 1.479704       1.194571  
1 1 1 -33 5  12 o 36.79740 0.6044632 13.55498       0.4446865 13.10584       0.6196484 14.03192       0.6385404 -1.256363      1.208926  
1 1 1 -33 5  13 o 34.16143 0.5998909 11.68856       0.4097804 11.79419       0.5864304 11.58778       0.5728424 0.3006859      1.199782  
1 1 1 -33 5  14 o 16.10722 0.7422409 2.596349       0.2381679 2.290276       0.3292182 2.932419       0.3449745 -1.991310      1.484482  
1 1 1 -33 5  15 o 28.69676 0.6026192 8.217106       0.3449366 7.431663       0.4728375 9.110589       0.5043103 -2.921986      1.205238  
1 1 1 -33 5  16 o 8.365210 1.463500  0.7450944      0.2449888 0.8642253      0.3313064 0.6013561      0.3639181 1.448869       2.927000  
1 1 1 -33 5  17 f 45.09114 0.7782407 20.38455       0.6724415 20.42307       1.125949  20.36319       0.8383762 0.2760696E-01  1.556481  
1 1 1 -33 5  18 o 24.78368 0.6331212 6.153442       0.3137532 6.204170       0.4491543 6.105099       0.4384668 0.1986790      1.266242  
1 1 1 -33 5  19 o 51.83153 0.6985392 26.92530       0.7240585 26.54181       1.015661  27.32161       1.032493  -0.7501678     1.397078  
1 1 1 -33 5  20 o 15.68091 0.7709890 2.466271       0.2417825 2.497310       0.3420218 2.435266       0.3418424 0.1978083      1.541978  
1 1 1 -33 5  21 o 26.49343 0.6332620 7.023934       0.3346089 6.322036       0.4643829 7.781847       0.4825571 -2.753019      1.266524  
1 1 1 -33 5  22 o 6.597817 1.444856  0.4242727      0.2170135 0.5900884      0.3114144 0.2677281      0.3025832 1.836971       2.889712  
1 1 1 -33 5  23 o 30.46685 0.6295331 9.302747       0.3834995 9.085261       0.5433882 9.518578       0.5413181 -0.7113552     1.259066  
1 1 1 -33 5  24 o 61.79076 0.7801042 38.26554       0.9634543 39.15492       1.392813  37.44951       1.334140  1.371880       1.560208  
1 1 1 -33 5  25 o 28.19510 0.6470693 7.965102       0.3645858 7.999471       0.5268712 7.933524       0.5050267 0.1144218      1.294139  
1 1 1 -33 5  26 o 43.11308 0.6657906 18.54143       0.5725183 19.83582       0.8488949 17.46142       0.7754120 2.744797       1.331581  
1 1 1 -33 5  27 o 42.48175 0.6665302 18.08366       0.5660771 18.26977       0.8139319 17.90931       0.7878144 0.4210205      1.333060  
1 1 1 -33 5  28 o 43.10138 0.6731411 18.60103       0.5799075 17.78645       0.8053595 19.47817       0.8357086 -1.958591      1.346282  
1 1 1 -33 5  29 o 32.90911 0.6577124 10.86351       0.4325053 10.64488       0.6211182 11.06931       0.6026112 -0.6472359     1.315425  
1 1 1 -33 5  30 o 42.36428 0.6886408 17.87966       0.5815629 16.23502       0.7881013 19.84594       0.8617301 -4.251659      1.377282  
1 1 1 -33 5  31 o 30.76035 0.6780941 9.486084       0.4171540 9.590731       0.5924112 9.383161       0.5875090 0.3367329      1.356188  
1 1 1 -33 5  32 o 42.33964 0.6937222 17.94308       0.5867855 18.69617       0.8548787 17.27219       0.8068799 1.674702       1.387444  
1 1 1 -33 5  33 o 35.24637 0.6798882 12.44217       0.4789394 12.93302       0.6930435 11.99346       0.6626251 1.328285       1.359776  
1 1 1 -33 5  34 o 30.97318 0.7022778 9.566267       0.4336897 10.39811       0.6446295 8.878420       0.5861874 2.444071       1.404556  
1 1 1 -33 5  35 o 38.81067 0.6995420 15.11365       0.5426255 14.44060       0.7659887 15.79165       0.7687956 -1.740124      1.399084  
1 1 1 -33 5  36 o 7.128044 1.624936  0.4850991      0.2714439 0.3001689      0.3786448 0.6806218      0.3893379 -1.900914      3.249873  
1 1 1 -33 5  37 o 9.074091 1.517583  0.8689071      0.2751449 0.6275707      0.3853752 1.119840       0.3929629 -2.554313      3.035166  
1 1 1 -33 5  38 o 14.19284 1.073173  2.026171       0.3042603 2.167844       0.4407061 1.897144       0.4205775 0.9484272      2.146346  
1 1 1 -33 5  39 o 6.909868 1.678394  0.4378287      0.2832246 0.5602906      0.4048855 0.3204865      0.3963316 1.143414       3.356788  
1 1 1 -33 5  40 o 21.67995 0.8294290 4.723534       0.3594489 4.695221       0.5159495 4.750236       0.5010526 -0.1299171     1.658858  
1 1 1 -33 5  41 f 6.850112 1.885515  0.2905370      0.3752720 0.1499921      0.5237306 0.4388371      0.5379860 -1.050843      3.771030  
1 1 1 -33 5  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 6  1  o 10.86183 0.6886122 1.187908       0.1489280 1.286664       0.2076439 1.083289       0.2137196 0.9369860      1.377224  
1 1 1 -33 6  2  o 32.41669 0.5547909 10.51747       0.3595540 10.18842       0.5006842 10.86785       0.5166645 -1.046329      1.109582  
1 1 1 -33 6  3  o 30.09286 0.6143562 9.068505       0.3625327 9.098187       0.5724286 9.048626       0.4684570 0.7078743E-01  1.228712  
1 1 1 -33 6  4  o 22.24090 0.6475894 4.920295       0.2865939 4.285871       0.3885818 5.677037       0.4243914 -3.123348      1.295179  
1 1 1 -33 6  5  o 12.42992 0.7459770 1.565743       0.1828058 1.667443       0.2439642 1.435532       0.2760523 0.9370909      1.491954  
1 1 1 -33 6  6  o 37.94242 0.5919436 14.42005       0.4491630 14.30573       0.6306192 14.53776       0.6399076 -0.3047867     1.183887  
1 1 1 -33 6  7  o 39.09335 0.8043994 15.15697       0.5573255 14.95820       0.6495847 15.71145       1.084932  -0.9031296     1.608799  
1 1 1 -33 6  8  o 21.06778 1.100680  4.468010       0.4598486 5.260940       0.6633303 3.734359       0.6380543 3.618156       2.201360  
1 1 1 -33 6  9  o 56.78244 0.9648717 32.61192       1.076057  31.16064       1.668120  33.64621       1.408228  -2.232552      1.929743  
1 1 1 -33 6  10 o 44.48256 0.6882960 19.89610       0.6084098 20.44192       0.8219154 19.23450       0.9049014 1.367226       1.376592  
1 1 1 -33 6  11 o 23.21382 0.7231287 5.376226       0.3346042 4.804933       0.4570998 6.035761       0.4911348 -2.646738      1.446257  
1 1 1 -33 6  12 o 33.15134 0.7059086 11.05672       0.4620182 10.76184       0.7076225 11.27583       0.6099811 -0.7872887     1.411817  
1 1 1 -33 6  13 o 39.71825 0.6226329 15.66085       0.4923054 14.18642       0.6597896 17.51282       0.7394505 -4.178768      1.245266  
1 1 1 -33 6  14 o 19.11870 0.6487696 3.663022       0.2480611 3.622242       0.3508096 3.703803       0.3508132 -0.2132988     1.297539  
1 1 1 -33 6  15 o 46.59694 0.6581233 21.72425       0.6128202 20.84374       0.8462482 22.69514       0.8886207 -1.981701      1.316247  
1 1 1 -33 6  16 o 31.58857 0.6041941 9.967213       0.3811517 10.64613       0.5565099 9.367370       0.5230999 2.020525       1.208388  
1 1 1 -33 6  17 o 18.72652 0.6825530 3.508023       0.2538365 2.966569       0.3498819 4.109694       0.3688248 -3.049892      1.365106  
1 1 1 -33 6  18 o 39.14286 0.6300401 15.28131       0.4920650 16.46752       0.7264261 14.27554       0.6688980 2.793587       1.260080  
1 1 1 -33 6  19 o 16.83770 0.7282178 2.842469       0.2451856 2.916991       0.3481358 2.769125       0.3453702 0.4387360      1.456436  
1 1 1 -33 6  20 o 28.58888 0.6226690 8.189126       0.3560239 8.168262       0.5043097 8.209856       0.5026820 -0.7292557E-01 1.245338  
1 1 1 -33 6  21 o 41.84563 0.6480862 17.54743       0.5423751 17.37377       0.7663910 17.72168       0.7676792 -0.4155540     1.296172  
1 1 1 -33 6  22 o 65.59690 0.8096464 43.13766       1.061687  42.15171       1.473542  44.20201       1.531009  -1.554565      1.619293  
1 1 1 -33 6  23 o 22.30652 0.6793996 4.986499       0.3030453 5.123097       0.4314278 4.853460       0.4257697 0.6037083      1.358799  
1 1 1 -33 6  24 f 63.58651 0.7953947 40.56195       1.011520  40.37311       1.427455  40.75242       1.433575  -0.2973862     1.590789  
1 1 1 -33 6  25 o 38.44437 0.6475649 14.81075       0.4977778 14.85431       0.7125241 14.76922       0.6957055 0.1086693      1.295130  
1 1 1 -33 6  26 o 40.83917 0.6535082 16.70855       0.5336335 17.03655       0.7655254 16.39852       0.7442670 0.7785530      1.307016  
1 1 1 -33 6  27 o 17.05253 0.8015214 2.932740       0.2719060 2.639988       0.3899322 3.209822       0.3793524 -1.672440      1.603043  
1 1 1 -33 6  28 o 33.56479 0.6492040 11.28963       0.4355474 10.75901       0.6108213 11.83848       0.6212244 -1.606716      1.298408  
1 1 1 -33 6  29 o 26.95838 0.6849087 7.301514       0.3671291 6.331382       0.5143824 8.308853       0.5241534 -3.666313      1.369817  
1 1 1 -33 6  30 o 10.54060 1.240395  1.142794       0.2538314 0.9908737      0.3587386 1.295110       0.3592057 -1.598917      2.480791  
1 1 1 -33 6  31 o 34.42743 0.6724173 11.88147       0.4624718 11.93173       0.6707636 11.83593       0.6384965 0.1346436      1.344835  
1 1 1 -33 6  32 o 36.34978 0.6741643 13.25169       0.4898181 13.20497       0.7043995 13.29543       0.6815789 -0.1277924     1.348329  
1 1 1 -33 6  33 o 12.38573 1.120192  1.537728       0.2711429 2.028011       0.4021505 1.129086       0.3671441 3.620281       2.240385  
1 1 1 -33 6  34 o 21.22902 1.134675  4.720585       0.4098783 4.200536       0.8144665 4.896960       0.4743180 -1.720768      2.269350  
1 1 1 -33 6  35 o 18.72432 0.8624901 3.517220       0.3226033 3.769258       0.4653076 3.283934       0.4476636 1.292587       1.724980  
1 1 1 -33 6  36 o 15.09599 0.9933364 2.309207       0.2939512 2.901962       0.4230389 1.755822       0.4087487 3.792979       1.986673  
1 1 1 -33 6  37 o 12.80657 1.114763  1.655395       0.2852418 1.709420       0.3992665 1.599077       0.4076499 0.4330311      2.229527  
1 1 1 -33 6  38 o 27.01467 0.7391048 7.332691       0.3989719 7.081083       0.5694343 7.575308       0.5591688 -0.9166298     1.478210  
1 1 1 -33 6  39 o 15.11504 1.021334  2.302014       0.3086527 2.274391       0.4404018 2.328679       0.4327018 -0.1815414     2.042668  
1 1 1 -33 6  40 o 13.51004 1.139969  1.839738       0.3074611 1.690560       0.4278676 1.999014       0.4421138 -1.137612      2.279939  
1 1 1 -33 6  41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 7  1  o 27.56384 1.477475  0.000000       0.000000  ?              ?         7.643817       0.8144978 ?              ?         
1 1 1 -33 7  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 7  3  f 18.79230 1.844928  3.563523       0.6934087 3.563523       0.6934087 ?              ?         ?              ?         
1 1 1 -33 7  4  o 22.74714 0.5104777 5.180455       0.2322080 5.234983       0.3316412 5.128013       0.3252359 0.2345238      1.020955  
1 1 1 -33 7  5  o 19.78061 0.5303196 3.917373       0.2097347 3.956188       0.3010016 3.880744       0.2924045 0.1898746      1.060639  
1 1 1 -33 7  6  o 24.82025 0.5324302 6.169340       0.2642758 6.282592       0.3745515 6.057061       0.3729385 0.4541740      1.064860  
1 1 1 -33 7  7  o 31.16492 0.5558798 9.703806       0.3460527 10.27172       0.5042895 9.198368       0.4757420 1.719229       1.111760  
1 1 1 -33 7  8  o 23.98455 0.5503510 5.761411       0.2639931 5.744918       0.3742015 5.777754       0.3724897 -0.6861687E-01 1.100702  
1 1 1 -33 7  9  o 38.34831 0.5949613 14.73144       0.4563061 14.64902       0.6428369 14.81514       0.6478205 -0.2160645     1.189923  
1 1 1 -33 7  10 o 35.42907 0.9660518 12.61271       0.6843508 12.71265       0.9593198 12.50915       0.9765467 0.2901382      1.932104  
1 1 1 -33 7  11 o 62.10488 1.143809  38.80115       1.419982  38.21258       1.970926  39.43639       2.047583  -0.9698029     2.287618  
1 1 1 -33 7  12 o 20.81399 1.152440  4.380362       0.4759986 3.741523       0.6711034 5.027106       0.6752429 -3.087431      2.304879  
1 1 1 -33 7  13 o 41.65533 0.8196750 17.37146       0.6221722 17.50306       1.149234  17.31690       0.7399957 0.1655769      1.639350  
1 1 1 -33 7  14 o 61.03807 0.7645352 37.12996       0.9297471 34.77461       1.249780  40.04892       1.391297  -4.301422      1.529070  
1 1 1 -33 7  15 o 26.73238 0.5969334 7.157121       0.3190742 7.236894       0.4571437 7.081340       0.4455574 0.2897282      1.193867  
1 1 1 -33 7  16 o 40.70489 0.6294038 16.55313       0.5116366 15.64760       0.7012411 17.58391       0.7481629 -2.373257      1.258808  
1 1 1 -33 7  17 o 36.62528 0.6135285 13.39328       0.4486420 14.34890       0.6572499 12.55951       0.6139157 2.438141       1.227057  
1 1 1 -33 7  18 o 50.96673 0.6926637 26.03391       0.7059864 26.35155       1.007103  25.72699       0.9899493 0.6106148      1.385327  
1 1 1 -33 7  19 o 37.01498 0.6235775 13.61547       0.4597170 15.10430       0.6883895 12.41698       0.6176277 3.622234       1.247155  
1 1 1 -33 7  20 o 27.27400 0.6229939 7.436191       0.3393775 7.982065       0.4924560 6.942441       0.4683549 1.903225       1.245988  
1 1 1 -33 7  21 o 14.12070 0.8244722 2.003120       0.2301736 2.417617       0.3328303 1.623164       0.3186610 2.811017       1.648944  
1 1 1 -33 7  22 o 23.35895 0.6455702 5.468112       0.3015629 5.458838       0.4295152 5.477127       0.4234970 -0.3984642E-01 1.291140  
1 1 1 -33 7  23 o 24.55175 0.6495342 6.029047       0.3175622 5.285558       0.4387946 6.846732       0.4601689 -3.176832      1.299068  
1 1 1 -33 7  24 f 21.33733 0.6882510 4.561064       0.2923058 3.980885       0.4057456 5.187079       0.4214682 -2.824490      1.376502  
1 1 1 -33 7  25 f 32.50278 0.6369962 10.58443       0.4139407 10.20019       0.5806320 10.98156       0.5902885 -1.200840      1.273992  
1 1 1 -33 7  26 f 43.35540 0.6723635 18.81590       0.5825831 17.99116       0.8065600 19.71559       0.8424020 -1.984043      1.344727  
1 1 1 -33 7  27 f 65.35516 0.8188225 42.83601       1.069742  41.73404       1.484176  44.02744       1.543240  -1.745010      1.637645  
1 1 1 -33 7  28 o 20.55848 0.7530075 4.268017       0.3066534 3.597829       0.4342683 4.934544       0.4330810 -3.251183      1.506015  
1 1 1 -33 7  29 o 32.75729 0.6596551 10.75725       0.4318210 10.74908       0.6232075 10.76480       0.5988922 -0.2721024E-01 1.319310  
1 1 1 -33 7  30 o 40.96597 0.6778870 16.83013       0.5552287 16.70992       0.7936839 16.94535       0.7770054 -0.2897034     1.355774  
1 1 1 -33 7  31 o 18.78267 0.8109970 3.532591       0.3042333 3.747041       0.4442839 3.343246       0.4174686 1.070152       1.621994  
1 1 1 -33 7  32 o 7.807181 1.476812  0.6329975      0.2468606 0.3638394      0.3495079 0.9009445      0.3487207 -2.915413      2.953624  
1 1 1 -33 7  33 o 25.32566 0.7236058 6.411875       0.3655387 6.738320       0.5414095 6.138411       0.4955314 1.177063       1.447212  
1 1 1 -33 7  34 o 22.88627 0.7523158 5.255627       0.3441761 5.281392       0.4953039 5.231569       0.4786026 0.1060581      1.504632  
1 1 1 -33 7  35 o 12.95679 1.936616  1.787934       0.4950506 1.328406       0.7159407 2.208946       0.6852800 -3.555085      3.873232  
1 1 1 -33 7  36 o 24.96616 0.7543150 6.261130       0.3763104 6.131529       0.5402421 6.383277       0.5244749 -0.5069866     1.508630  
1 1 1 -33 7  37 o 31.73476 0.7057544 10.10271       0.4477723 10.22509       0.6435668 9.987880       0.6234056 0.3702087      1.411509  
1 1 1 -33 7  38 o 25.10636 0.7693598 6.324556       0.3861481 6.517103       0.5561034 6.145273       0.5366099 0.7367420      1.538720  
1 1 1 -33 7  39 o 19.31637 0.8856057 3.743711       0.3417821 3.949414       0.4965497 3.558510       0.4711552 1.006359       1.771211  
1 1 1 -33 7  40 o 19.14023 1.654530  0.000000       0.000000  ?              ?         3.698961       0.6333618 ?              ?         
1 1 1 -33 8  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 8  2  o 9.674971 1.700881  0.7899544      0.4157792 1.863070       0.6116316 -0.1319780     0.5669128 7.755781       3.401762  
1 1 1 -33 8  3  o 5.613895 1.736950  -0.1209100     0.3734038 -0.2263136     0.5266610 -0.1436847E-01 0.5294958 -0.5491042     3.473899  
1 1 1 -33 8  4  o 27.91713 1.021129  7.834687       0.5695787 8.325528       0.8145158 7.364977       0.7967886 1.716875       2.042258  
1 1 1 -33 8  5  o 8.523687 1.954494  0.7101880      0.3859717 0.8825275      0.5493280 0.5421495      0.5424302 1.438015       3.908987  
1 1 1 -33 8  6  o 8.160700 1.886188  0.6123981      0.3786812 0.2284411      0.5435555 0.9745034      0.5278614 -2.943186      3.772376  
1 1 1 -33 8  7  f 39.63027 0.9939333 15.78990       0.7875417 16.23134       1.112773  15.34690       1.114734  1.116222       1.987867  
1 1 1 -33 8  8  o 21.22780 0.5182745 4.467948       0.2188929 5.122785       0.3277569 3.940714       0.2940945 2.781090       1.036549  
1 1 1 -33 8  9  o 50.73583 0.6705468 25.79573       0.6803513 26.13222       0.9702730 25.47026       0.9542511 0.6504211      1.341094  
1 1 1 -33 8  10 o 25.98037 0.5477333 6.748851       0.2843617 7.047555       0.4125715 6.478534       0.3924767 1.093126       1.095467  
1 1 1 -33 8  11 o 56.30923 0.7172995 31.77909       0.8076633 32.34518       1.155810  31.23888       1.129076  0.9789162      1.434599  
1 1 1 -33 8  12 o 28.83115 0.5667787 8.323956       0.3267506 8.411896       0.4677531 8.240146       0.4566376 0.2967339      1.133557  
1 1 1 -33 8  13 f 63.78149 0.8531898 40.85944       1.074403  41.01810       1.412573  40.64169       1.654913  0.3317223      1.706380  
1 1 1 -33 8  14 o 19.06562 0.7182589 3.627672       0.2656558 3.576837       0.3358443 3.712649       0.4342166 -0.3436832     1.436518  
1 1 1 -33 8  15 o 22.66280 0.9041224 5.395412       0.3464667 5.625785       0.4003226 4.707835       0.6916011 2.069361       1.808245  
1 1 1 -33 8  16 o 12.40850 1.725487  1.705120       0.4136120 0.8995728      0.6083766 2.397462       0.5640110 -6.020838      3.450975  
1 1 1 -33 8  17 o 56.53121 1.107590  32.15458       1.252118  32.08057       1.756301  32.23107       1.785585  -0.1273193     2.215179  
1 1 1 -33 8  18 o 27.39750 0.8643526 7.894095       0.4131899 6.786676       0.7839200 8.320105       0.4862119 -2.842224      1.728705  
1 1 1 -33 8  19 o 29.58465 0.8385654 8.745401       0.4296209 8.861135       0.8617188 8.707119       0.4956095 0.2067451      1.677131  
1 1 1 -33 8  20 o 48.08122 0.6804189 23.17423       0.6542564 23.07009       0.9298456 23.27634       0.9207381 -0.2156029     1.360838  
1 1 1 -33 8  21 o 16.03161 0.7473278 2.582151       0.2379154 2.199000       0.3321065 2.986087       0.3409959 -2.453586      1.494656  
1 1 1 -33 8  22 o 34.81883 0.6245237 12.14054       0.4346915 11.62243       0.6069496 12.68615       0.6228522 -1.525646      1.249047  
1 1 1 -33 8  23 o 26.62753 0.6340910 7.107344       0.3375745 7.022353       0.4818390 7.189275       0.4730863 -0.3144932     1.268182  
1 1 1 -33 8  24 o 26.78123 0.6372806 7.188298       0.3413425 7.206105       0.4828640 7.170510       0.4825986 0.6642151E-01  1.274561  
1 1 1 -33 8  25 o 34.90673 0.6397812 12.21076       0.4466006 12.32565       0.6375260 12.10004       0.6258140 0.3216896      1.279562  
1 1 1 -33 8  26 o 20.82858 0.7127997 4.356451       0.2962264 4.000333       0.4180173 4.715686       0.4198435 -1.716982      1.425599  
1 1 1 -33 8  27 o 14.99208 0.8686012 2.242857       0.2540960 2.988954       0.3779565 1.627531       0.3432390 4.534572       1.737202  
1 1 1 -33 8  28 o 5.916099 1.496765  0.3003847      0.2254252 0.3515562      0.3145531 0.2463537      0.3232223 0.4898491      2.993531  
1 1 1 -33 8  29 o 13.75585 0.9439354 1.903304       0.2584944 2.148517       0.3706164 1.671015       0.3607171 1.733660       1.887871  
1 1 1 -33 8  30 o 8.398026 1.460222  0.7414306      0.2448006 0.6225606      0.3419017 0.8664725      0.3506653 -1.358785      2.920443  
1 1 1 -33 8  31 o 21.60815 0.7470615 4.693728       0.3222646 4.425955       0.4596924 4.952511       0.4519092 -1.219713      1.494123  
1 1 1 -33 8  32 o 16.33375 0.8802881 2.665624       0.2867154 2.950979       0.4232244 2.423574       0.3897896 1.607982       1.760576  
1 1 1 -33 8  33 o 25.27327 0.7200376 6.369984       0.3628023 6.916547       0.5397037 5.919375       0.4900437 1.964815       1.440075  
1 1 1 -33 8  34 o 11.70448 1.168164  1.384905       0.2728167 1.326508       0.3940173 1.438684       0.3781160 -0.4834442     2.336329  
1 1 1 -33 8  35 o 36.00681 0.6974572 13.00205       0.5016377 13.10408       0.7291202 12.91035       0.6912402 0.2627831      1.394914  
1 1 1 -33 8  36 o 22.48207 0.7850521 5.082238       0.3519177 4.595866       0.4947592 5.580295       0.5006671 -2.188219      1.570104  
1 1 1 -33 8  37 o 40.62408 0.7144310 16.56779       0.5802979 16.23438       0.8244120 16.89521       0.8169690 -0.8146858     1.428862  
1 1 1 -33 8  38 o 35.28493 0.7145324 12.44932       0.5033238 13.31278       0.7388462 11.70162       0.6875350 2.274101       1.429065  
1 1 1 -33 8  39 o 26.92181 0.9746512 7.231929       0.5223775 8.211645       0.7798996 6.434758       0.7035002 3.281603       1.949302  
1 1 1 -33 9  1  o 17.83773 1.337120  3.214553       0.4769729 3.152598       0.6697144 3.278327       0.6794745 -0.3497238     2.674240  
1 1 1 -33 9  2  f 51.89190 1.075008  26.98240       1.111970  25.68810       1.500229  28.56036       1.656481  -2.733696      2.150016  
1 1 1 -33 9  3  o 22.67493 1.160777  5.180030       0.5256016 5.571515       0.7508318 4.803844       0.7360154 1.689346       2.321555  
1 1 1 -33 9  4  o 29.70497 1.038561  8.873404       0.6164585 8.786783       0.8521708 8.968492       0.8928596 -0.2974491     2.077122  
1 1 1 -33 9  5  o 50.60508 1.067510  25.77588       1.080159  25.98808       1.514573  25.55623       1.540919  0.4322433      2.135020  
1 1 1 -33 9  6  o 39.58243 1.020593  15.73275       0.8066975 15.33620       1.105113  16.18507       1.180278  -1.057320      2.041187  
1 1 1 -33 9  7  f 15.79681 1.437369  2.539304       0.4500691 2.161918       0.6383962 2.912225       0.6346083 -2.375908      2.874738  
1 1 1 -33 9  8  o 55.90080 1.104192  31.45706       1.234360  31.93128       1.742824  30.97975       1.748486  0.8522758      2.208384  
1 1 1 -33 9  9  o 10.49884 1.871142  1.150889       0.4149464 1.718890       0.5948641 0.6125947      0.5790991 4.624187       3.742284  
1 1 1 -33 9  10 o 63.33753 1.175746  40.35675       1.487851  39.32719       2.049081  41.50492       2.163888  -1.693996      2.351491  
1 1 1 -33 9  11 o 27.04392 0.5348644 7.323602       0.2892665 7.396992       0.4127263 7.252745       0.4055376 0.2659760      1.069729  
1 1 1 -33 9  12 o 41.70599 0.6124082 17.42205       0.5107341 17.09238       0.7144112 17.76667       0.7304295 -0.8065834     1.224816  
1 1 1 -33 9  13 o 40.66800 0.6108484 16.56919       0.4968124 16.39372       0.6982262 16.74912       0.7070548 -0.4359512     1.221697  
1 1 1 -33 9  14 o 38.70724 0.6041763 15.00974       0.4676895 15.10872       0.6659881 14.91344       0.6569307 0.2512474      1.208353  
1 1 1 -33 9  15 o 54.04346 1.085180  29.38559       1.172855  29.36645       1.648727  29.40521       1.668791  -0.3185654E-01 2.170360  
1 1 1 -33 9  16 f 19.79808 0.6160058 3.924089       0.2438118 4.057901       0.3507832 3.799030       0.3391165 0.6524506      1.232012  
1 1 1 -33 9  17 o 43.70539 0.6432179 19.08142       0.5613097 18.02255       0.7677532 20.29734       0.8227176 -2.595867      1.286436  
1 1 1 -33 9  18 o 49.06893 0.6811716 24.12060       0.6682478 23.53155       0.9300248 24.74930       0.9608174 -1.236935      1.362343  
1 1 1 -33 9  19 o 51.17877 0.6985832 26.25734       0.7149624 26.05645       1.001746  26.46592       1.020741  -0.3975372     1.397166  
1 1 1 -33 9  20 o 20.30488 0.9519534 3.854552       0.3248481 3.633675       0.3654087 4.687075       0.7094167 -2.532600      1.903907  
1 1 1 -33 9  21 o 21.00011 0.9864231 4.445624       0.3470334 4.455848       0.3950438 4.411066       0.7263135 0.1670170      1.972846  
1 1 1 -33 9  22 o 16.36032 1.479132  2.663139       0.4788634 3.274487       0.7279322 2.196738       0.6358082 3.267218       2.958263  
1 1 1 -33 9  23 o 20.25884 1.294254  4.189885       0.5158592 3.344308       0.7318947 5.024644       0.7271979 -4.148354      2.588509  
1 1 1 -33 9  24 o 32.89894 1.063134  10.85913       0.6973638 9.719993       0.9601660 12.13088       1.014520  -3.652599      2.126268  
1 1 1 -33 9  25 o 21.08815 1.082820  4.150438       0.4159334 5.279149       0.8066400 3.741644       0.4854457 3.575865       2.165640  
1 1 1 -33 9  26 o 18.83486 1.088236  3.520833       0.3480739 3.668385       0.7230086 3.476318       0.3971235 0.4405231      2.176471  
1 1 1 -33 9  27 o 26.58426 0.9799358 7.045332       0.4371936 7.222177       0.9201273 6.993764       0.4968630 0.3461552      1.959872  
1 1 1 -33 9  28 o 22.57393 1.100685  5.657175       0.4038611 4.225263       0.8131382 6.126066       0.4653100 -4.286289      2.201370  
1 1 1 -33 9  29 o 23.21152 0.7175566 5.370427       0.3319145 6.030305       0.4908298 4.814412       0.4505488 2.612701       1.435113  
1 1 1 -33 9  30 o 19.59312 0.7745113 3.867700       0.3017793 3.394610       0.4267517 4.340917       0.4268090 -2.414885      1.549023  
1 1 1 -33 9  31 o 15.72673 0.8835596 2.491402       0.2772170 2.333941       0.3968641 2.641439       0.3873955 -0.9794712     1.767119  
1 1 1 -33 9  32 o 16.63985 0.8854675 2.794298       0.2934301 2.580463       0.4231880 2.992299       0.4072181 -1.240662      1.770935  
1 1 1 -33 9  33 o 18.50090 0.8390633 3.433198       0.3102183 3.579871       0.4497197 3.300051       0.4284804 0.7521286      1.678127  
1 1 1 -33 9  34 o 13.67177 1.094826  1.922548       0.2931871 1.569749       0.4308779 2.226731       0.4000900 -2.410564      2.189653  
1 1 1 -33 9  35 o 33.45325 0.7991915 11.39146       0.5220911 10.47981       0.8138408 12.02903       0.6805945 -2.341690      1.598383  
1 1 1 -33 9  36 o 23.77371 1.082582  0.000000       0.000000  ?              ?         5.675445       0.5147400 ?              ?         
1 1 1 -33 9  37 o 39.22365 0.8821858 15.45073       0.6886213 15.63523       1.028977  15.30107       0.9267424 0.4039574      1.764372  
1 1 1 -33 9  38 o 21.35123 1.016263  4.595291       0.4336301 4.459192       0.6191295 4.726336       0.6075264 -0.6285191     2.032527  
1 1 1 -33 9  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 10 1  o 30.87407 1.051528  9.572572       0.6482292 9.159853       0.8861479 10.04763       0.9507241 -1.422598      2.103055  
1 1 1 -33 10 2  o 17.58144 1.410036  3.125403       0.4951381 3.361090       0.7120911 2.904789       0.6889445 1.290594       2.820073  
1 1 1 -33 10 3  o 20.52498 1.275635  4.255180       0.5233805 4.178682       0.7477980 4.328634       0.7327744 -0.3693027     2.551269  
1 1 1 -33 10 4  o 39.53709 1.036004  15.73036       0.8190727 15.86260       1.150859  15.59463       1.165976  0.3420753      2.072008  
1 1 1 -33 10 5  f 28.16247 1.072516  7.983799       0.6039969 8.033293       0.8482062 7.932886       0.8602831 0.1808605      2.145032  
1 1 1 -33 10 6  o 26.47247 1.105286  7.002043       0.5827825 6.248529       0.7877803 7.912912       0.8661389 -3.126337      2.210573  
1 1 1 -33 10 7  o 64.94036 1.198194  42.51403       1.556030  42.55094       2.184022  42.47599       2.217477  0.6568909E-01  2.396387  
1 1 1 -33 10 8  o 29.15231 1.054867  8.555613       0.6146156 8.914316       0.8688969 8.196412       0.8694990 1.231424       2.109734  
1 1 1 -33 10 9  o 24.96552 1.097126  6.274714       0.5477703 6.270312       0.7790110 6.279019       0.7703893 -0.1930618E-01 2.194253  
1 1 1 -33 10 10 o 14.72836 1.640173  2.284809       0.4521887 1.500024       0.6311327 3.112592       0.6481913 -5.662717      3.280347  
1 1 1 -33 10 11 o 19.61405 1.284418  3.858420       0.5006712 3.292163       0.6820112 4.520266       0.7373323 -3.116852      2.568836  
1 1 1 -33 10 12 o 28.70961 1.053116  8.297987       0.6041231 8.436716       0.8407093 8.149868       0.8686959 0.5052986      2.106233  
1 1 1 -33 10 13 o 24.47236 0.5273720 5.986174       0.2578023 6.234200       0.3761969 5.766566       0.3539906 0.9531631      1.054744  
1 1 1 -33 10 14 o 34.41174 0.5810058 11.86139       0.3998291 11.65077       0.5613081 12.07833       0.5696722 -0.6202888     1.162012  
1 1 1 -33 10 15 f 27.03627 0.5804945 7.311815       0.3128158 6.506984       0.4333664 8.187338       0.4519983 -3.105499      1.160989  
1 1 1 -33 10 16 o 74.14429 0.8769438 55.18480       1.300037  54.34336       1.812469  56.07645       1.865749  -1.159630      1.753888  
1 1 1 -33 10 17 o 27.83649 0.8544829 7.472206       0.3984962 7.230953       0.4499229 8.350261       0.8583469 -1.944166      1.708966  
1 1 1 -33 10 18 o 9.588479 1.042995  0.9631883      0.1812159 0.4884731      0.2457646 1.528815       0.2682674 -5.511610      2.085989  
1 1 1 -33 10 19 o 38.23565 0.6231548 14.64301       0.4763979 14.26104       0.6644773 15.04703       0.6833770 -1.025497      1.246310  
1 1 1 -33 10 20 o 39.67358 0.6365432 15.70136       0.5038819 14.59107       0.6854602 17.00671       0.7432340 -3.037098      1.273086  
1 1 1 -33 10 21 o 10.09798 0.9856597 1.021988       0.1985154 0.9209207      0.2731117 1.135198       0.2890525 -1.057864      1.971319  
1 1 1 -33 10 22 o 16.74020 0.7216373 2.799319       0.2390208 2.271754       0.3267616 3.406471       0.3505431 -3.385799      1.443275  
1 1 1 -33 10 23 o 37.29911 0.6333877 13.92391       0.4721445 13.39894       0.6527582 14.49990       0.6837454 -1.471909      1.266775  
1 1 1 -33 10 24 o 13.22843 0.8569037 1.753278       0.2261386 1.585779       0.3123876 1.937695       0.3277842 -1.327453      1.713807  
1 1 1 -33 10 25 o 49.92310 0.7059290 24.97069       0.7044231 24.22601       0.9758480 25.78092       1.017891  -1.551041      1.411858  
1 1 1 -33 10 26 o 8.086611 1.336095  0.6822799      0.2131189 0.5535545      0.2922062 0.8285753      0.3115105 -1.624808      2.672190  
1 1 1 -33 10 27 o 18.06874 0.7474296 3.274377       0.2698138 3.490885       0.3864886 3.068540       0.3768428 1.167109       1.494859  
1 1 1 -33 10 28 o 22.72118 0.7147154 5.174121       0.3246245 5.352197       0.4679008 5.008856       0.4507558 0.7528267      1.429431  
1 1 1 -33 10 29 o 20.37521 0.8041629 4.052463       0.3227330 4.881292       0.5135691 3.511550       0.4148875 3.343782       1.608326  
1 1 1 -33 10 30 o 25.52544 0.8527613 6.541402       0.4351825 6.405703       0.6054837 6.686409       0.6259063 -0.5459805     1.705523  
1 1 1 -33 10 31 o 21.69038 1.106970  4.366564       0.4370056 3.901601       0.5092083 5.666284       0.8513561 -3.981567      2.213939  
1 1 1 -33 10 32 f 16.43929 1.352124  2.616726       0.3988951 2.477808       0.4645959 3.006351       0.7780725 -1.509809      2.704248  
1 1 1 -33 10 33 o 19.88253 1.259713  3.697032       0.4439642 3.388226       0.5104138 4.656805       0.8998371 -3.072056      2.519427  
1 1 1 -33 10 34 o 11.28857 1.805617  1.283285       0.3638914 1.200287       0.4253050 1.510043       0.7029870 -1.171412      3.611233  
1 1 1 -33 10 35 o 62.62096 1.374610  39.49092       1.603979  39.06281       1.939040  40.41871       2.854546  -0.7734108     2.749220  
1 1 1 -33 10 36 o 18.99536 1.341793  3.863339       0.4252573 4.059753       0.4900936 3.264832       0.8555149 2.204016       2.683586  
1 1 1 -33 10 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 11 1  o 35.94144 1.065617  12.92818       0.7633906 12.02670       1.029220  14.03065       1.138179  -2.762207      2.131233  
1 1 1 -33 11 2  o 57.65780 1.148869  33.50777       1.323909  33.20663       1.834912  33.83476       1.912050  -0.5250168     2.297738  
1 1 1 -33 11 3  o 14.41288 1.755937  2.149803       0.4953886 2.092733       0.7048455 2.205514       0.6964012 -0.6168480     3.511873  
1 1 1 -33 11 4  o 16.06650 1.517664  2.620771       0.4864921 2.849108       0.6920140 2.397650       0.6840624 1.402295       3.035329  
1 1 1 -33 11 5  o 8.380045 2.090868  0.6327072      0.4403862 0.4830465      0.6364219 0.7702069      0.6100171 -0.9681463     4.181736  
1 1 1 -33 11 6  o 25.84480 1.153389  6.676819       0.5922553 5.691450       0.8017523 7.860335       0.8786739 -4.177341      2.306779  
1 1 1 -33 11 7  o 33.37595 1.065128  11.08910       0.7070470 9.876930       0.9445199 12.63417       1.066361  -4.103838      2.130256  
1 1 1 -33 11 8  o 47.94945 1.067848  23.06837       1.022078  21.99589       1.393454  24.31727       1.503708  -2.396770      2.135696  
1 1 1 -33 11 9  o 37.81343 1.031541  14.37077       0.7796381 15.08749       1.121067  13.69946       1.084969  1.827881       2.063083  
1 1 1 -33 11 10 o 17.28926 1.411639  3.022948       0.4876783 2.855112       0.6849832 3.195469       0.6944776 -0.9816170     2.823279  
1 1 1 -33 11 11 o 18.94726 1.338293  3.625331       0.5055210 4.023152       0.7254641 3.249839       0.7048123 2.035192       2.676587  
1 1 1 -33 11 12 o 22.10590 1.213537  4.912121       0.5355554 4.535511       0.7362378 5.335350       0.7804760 -1.798391      2.427073  
1 1 1 -33 11 13 o 39.51663 1.070899  15.59185       0.8425239 14.43407       1.127750  17.05428       1.267469  -3.285450      2.141797  
1 1 1 -33 11 14 o 43.78325 1.053649  19.28128       0.9223394 19.98900       1.318506  18.60308       1.290708  1.576866       2.107298  
1 1 1 -33 11 15 o 6.079405 1.612006  0.2563242      0.1703590 0.2516555      0.1780324 0.3070085      0.5865940 -2.097159      3.224013  
1 1 1 -33 11 16 o 31.97011 0.5783480 10.22867       0.3695281 10.53430       0.5352123 9.950257       0.5108237 0.9106045      1.156696  
1 1 1 -33 11 17 o 22.34815 0.5916918 5.012896       0.2639970 4.794355       0.3790866 5.218688       0.3678626 -0.9506931     1.183384  
1 1 1 -33 11 18 f 15.40069 0.7146845 2.406040       0.2173596 2.154271       0.3231426 2.614081       0.2937423 -1.496995      1.429369  
1 1 1 -33 11 19 f 27.13057 0.6007578 7.342268       0.3251491 7.856423       0.4812388 6.910410       0.4410461 1.738579       1.201516  
1 1 1 -33 11 20 o 17.46806 0.7169703 3.099455       0.2469966 2.573172       0.3557184 3.589430       0.3432283 -2.910702      1.433941  
1 1 1 -33 11 21 o 26.69444 0.6272442 7.073386       0.3329270 7.784642       0.5053058 6.527786       0.4425670 2.345993       1.254488  
1 1 1 -33 11 22 o 24.34141 0.7545288 6.092001       0.3505585 5.417795       0.5724055 6.496648       0.4434506 -2.236282      1.509058  
1 1 1 -33 11 23 o 40.25770 0.6499003 16.15273       0.5217046 14.90150       0.7063067 17.65499       0.7739242 -3.410236      1.299801  
1 1 1 -33 11 24 o 42.48392 0.6670881 18.10017       0.5667871 17.97112       0.8031434 18.22822       0.7999819 -0.3030586     1.334176  
1 1 1 -33 11 25 o 54.51919 0.8622686 30.05509       0.9126630 29.04118       1.466901  30.69545       1.165774  -1.574596      1.724537  
1 1 1 -33 11 26 f 48.60719 0.9126540 23.73364       0.8868724 24.31735       1.276643  23.18920       1.232952  1.151649       1.825308  
1 1 1 -33 11 27 o 23.23358 0.8098565 5.418360       0.3762457 5.335399       0.5258484 5.505383       0.5385628 -0.3635445     1.619713  
1 1 1 -33 11 28 o 39.93923 0.8465459 15.90146       0.6734864 17.46642       1.008699  14.64262       0.9046767 3.515522       1.693092  
1 1 1 -33 11 29 o 8.580112 1.593635  0.7796462      0.2779677 0.8586284      0.3787916 0.6874850      0.4091758 0.8851175      3.187270  
1 1 1 -33 11 30 o 29.59848 0.7586917 8.877474       0.4433883 9.432752       0.5936232 8.176786       0.6668344 2.134455       1.517383  
1 1 1 -33 11 31 o 8.524362 1.494833  0.6935028      0.2623656 0.3749134      0.3351755 1.197569       0.4215996 -4.345768      2.989667  
1 1 1 -33 11 32 o 8.264627 1.491153  0.7204960      0.2475121 0.7432529      0.3476933 0.6971155      0.3524247 0.2565937      2.982306  
1 1 1 -33 11 33 o 20.32505 0.7778891 4.147909       0.3161638 4.204550       0.4520115 4.093653       0.4423899 0.2709198      1.555778  
1 1 1 -33 11 34 o 33.42257 0.6976999 11.21652       0.4659937 10.95611       0.6677138 11.46379       0.6506468 -0.7624283     1.395400  
1 1 1 -33 11 35 o 12.60302 1.276514  1.576338       0.3183616 1.310260       0.4208611 1.932258       0.4867554 -2.447108      2.553029  
1 1 1 -33 11 36 o 62.55577 1.567460  0.000000       0.000000  ?              ?         39.47693       1.961074  ?              ?         
1 1 1 -33 12 1  o 47.39798 1.096840  22.63623       1.039660  23.07501       1.479392  22.20807       1.461377  0.9100494      2.193679  
1 1 1 -33 12 2  o 11.90385 2.042979  1.502129       0.4869483 1.140095       0.6740946 1.897209       0.7041883 -2.967072      4.085957  
1 1 1 -33 12 3  o 9.472127 2.179018  0.8987004      0.4730190 0.9301749      0.6636811 0.8662062      0.6743461 0.2233410      4.358037  
1 1 1 -33 12 4  o 37.33009 1.077055  14.03259       0.8028652 13.97376       1.103836  14.09867       1.169886  -0.1516151     2.154111  
1 1 1 -33 12 5  o 35.57715 1.073784  12.73945       0.7634454 13.46909       1.094607  12.04831       1.065337  1.989796       2.147567  
1 1 1 -33 12 6  o 8.685929 2.137442  0.6944987      0.4599760 0.5129468      0.6593463 0.8666284      0.6420087 -1.229288      4.274883  
1 1 1 -33 12 7  o 32.70914 1.086889  10.78104       0.7108369 11.04578       1.004097  10.51506       1.006458  0.8118515      2.173778  
1 1 1 -33 12 8  o 24.50288 1.211486  6.043210       0.5909964 5.281414       0.8145318 6.890090       0.8588156 -3.270735      2.422972  
1 1 1 -33 12 9  f 30.72101 1.091063  9.507358       0.6702253 9.526473       0.9583168 9.489056       0.9377030 0.5594826E-01  2.182127  
1 1 1 -33 12 10 o 38.63792 1.071064  15.01977       0.8271387 14.64891       1.144904  15.42466       1.196288  -0.9919014     2.142129  
1 1 1 -33 12 11 o 13.97331 1.772571  2.022372       0.4844395 1.988696       0.7019564 2.052997       0.6694041 -0.4709568     3.545143  
1 1 1 -33 12 12 o 26.32571 1.174122  6.976816       0.6160780 6.211312       0.8533352 7.810219       0.8903764 -3.027515      2.348243  
1 1 1 -33 12 13 o 28.25078 1.136118  7.950656       0.6373419 6.781394       0.8551646 9.411613       0.9559002 -4.630854      2.272235  
1 1 1 -33 12 14 o 11.50145 1.976399  1.403558       0.4705895 0.7933984      0.6592116 2.037622       0.6720007 -4.877302      3.952798  
1 1 1 -33 12 15 o 35.67722 1.074834  12.75070       0.7647794 11.93066       1.035328  13.73553       1.134599  -2.506733      2.149668  
1 1 1 -33 12 16 o 34.03932 1.082440  11.64865       0.7362627 11.07846       1.017758  12.27466       1.066410  -1.745831      2.164879  
1 1 1 -33 12 17 o 24.83798 0.5521394 6.181795       0.2738849 6.160531       0.3978038 6.200959       0.3776453 -0.8378601E-01 1.104279  
1 1 1 -33 12 18 o 14.79307 0.6738883 2.162678       0.1979267 2.506950       0.3017837 1.902809       0.2621943 2.036153       1.347777  
1 1 1 -33 12 19 o 42.45545 0.6451003 18.05652       0.5475240 17.40239       0.7623994 18.75321       0.7868092 -1.587387      1.290201  
1 1 1 -33 12 20 o 59.56543 1.066496  36.12891       1.237526  37.63777       1.599376  33.87785       1.953524  3.239368       2.132992  
1 1 1 -33 12 21 f 20.34981 0.6643829 4.121166       0.2691957 4.490032       0.4047581 3.828593       0.3604781 1.618589       1.328766  
1 1 1 -33 12 22 o 25.38695 0.6869717 6.190219       0.3377485 7.566272       0.5708702 5.449152       0.4189369 4.146358       1.373943  
1 1 1 -33 12 23 o 13.30683 0.9910035 1.800027       0.2599513 1.654469       0.3929702 1.913279       0.3466287 -0.9825468     1.982007  
1 1 1 -33 12 24 o 25.20893 0.7800839 6.379523       0.3891032 5.201216       0.5375765 7.676136       0.5639183 -4.904333      1.560168  
1 1 1 -33 12 25 o 46.07786 0.8795519 21.17512       0.8064302 22.88424       1.217603  19.83955       1.076345  3.276329       1.759104  
1 1 1 -33 12 26 o 29.53483 0.7175671 8.681365       0.4193741 8.297963       0.5492409 9.217419       0.6494411 -1.540432      1.435134  
1 1 1 -33 12 27 o 28.59123 0.6685822 8.068676       0.3791886 9.315155       0.5826039 7.152604       0.4994547 3.769135       1.337164  
1 1 1 -33 12 28 f 12.60537 1.074193  1.572556       0.2681255 1.913796       0.4093119 1.316065       0.3548636 2.357347       2.148385  
1 1 1 -33 12 29 o 34.21342 0.6749172 11.73011       0.4612163 11.95596       0.6722857 11.52930       0.6339204 0.6173325      1.349834  
1 1 1 -33 12 30 o 22.35871 0.7650420 4.992393       0.3402950 5.273417       0.5133727 4.772140       0.4544890 1.109831       1.530084  
1 1 1 -33 12 31 o 18.57642 0.8524412 3.433047       0.3144630 3.763950       0.4807999 3.185681       0.4157040 1.542435       1.704882  
1 1 1 -33 12 32 o 29.44315 0.7203750 8.724634       0.4225284 8.383644       0.6184154 9.023187       0.5786552 -1.093149      1.440750  
1 1 1 -33 12 33 o 26.84934 0.7469149 7.168982       0.3983339 7.800413       0.6079848 6.694098       0.5272589 2.045509       1.493830  
1 1 1 -33 12 34 f 38.91256 0.9069831 15.25239       0.7045760 14.75869       1.017119  15.70785       0.9769374 -1.228683      1.813966  
1 1 1 -33 12 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 13 1  o 10.36148 2.170775  1.113559       0.4979954 1.477909       0.6995757 0.7392588      0.7090638 2.787508       4.341550  
1 1 1 -33 13 2  o 31.08587 1.135784  9.776870       0.7038581 10.34761       0.9775935 9.162549       1.014229  1.915880       2.271568  
1 1 1 -33 13 3  o 46.70838 1.109790  21.99104       1.035696  21.96007       1.432678  22.02493       1.498961  -0.5243301E-01 2.219580  
1 1 1 -33 13 4  o 19.28886 1.460732  3.765785       0.5569062 4.583412       0.8114550 3.037760       0.7657036 3.991522       2.921464  
1 1 1 -33 13 5  o 54.68589 1.150252  30.15796       1.257889  30.20577       1.765617  30.10868       1.792535  0.9573746E-01  2.300503  
1 1 1 -33 13 6  o 13.30265 1.925703  1.881334       0.4954216 2.122441       0.6972105 1.635435       0.7041042 1.831167       3.851405  
1 1 1 -33 13 7  o 24.40947 1.220474  6.014172       0.5955092 5.764309       0.8386486 6.268284       0.8457507 -1.030420      2.440948  
1 1 1 -33 13 8  o 45.67721 1.108417  21.02459       1.012294  21.68686       1.436330  20.37098       1.426916  1.438114       2.216833  
1 1 1 -33 13 9  o 27.89705 1.180911  7.849142       0.6588280 7.928622       0.9388916 7.772043       0.9247172 0.2769489      2.361822  
1 1 1 -33 13 10 o 24.66855 1.223906  6.143484       0.6036366 6.332382       0.8543525 5.955186       0.8529912 0.7641602      2.447812  
1 1 1 -33 13 11 o 60.06996 1.193460  36.26884       1.429923  34.64426       1.937458  38.21244       2.119171  -2.921944      2.386919  
1 1 1 -33 13 12 o 25.66389 1.211788  6.646967       0.6219704 6.709243       0.8815874 6.585251       0.8776239 0.2405014      2.423576  
1 1 1 -33 13 13 o 38.98495 1.088920  15.30583       0.8481113 15.19126       1.170524  15.43244       1.230547  -0.2947960     2.177840  
1 1 1 -33 13 14 o 50.76423 1.125379  25.92355       1.140905  25.06922       1.563023  26.89786       1.669168  -1.774532      2.250758  
1 1 1 -33 13 15 o 24.04919 1.265027  5.835694       0.6080754 6.126001       0.8748543 5.564363       0.8457794 1.159512       2.530054  
1 1 1 -33 13 16 o 47.75111 1.111437  22.92898       1.059734  22.15398       1.449712  23.81834       1.552994  -1.717251      2.222874  
1 1 1 -33 13 17 o 47.83410 1.135228  23.04808       1.085264  22.62919       1.501324  23.50653       1.570609  -0.8996391     2.270456  
1 1 1 -33 13 18 o 18.45771 1.575402  3.478776       0.5765295 3.291020       0.8598213 3.632147       0.7771100 -0.9527168     3.150805  
1 1 1 -33 13 19 o 22.73072 0.6147983 4.916315       0.2705483 6.263858       0.4587162 4.197525       0.3350221 4.528418       1.229597  
1 1 1 -33 13 20 o 20.41363 0.6855890 4.173316       0.2783645 4.235977       0.4175122 4.123173       0.3734899 0.2696495      1.371178  
1 1 1 -33 13 21 o 37.57121 0.7677414 13.90539       0.5702721 15.92229       0.8930199 12.51654       0.7410476 4.506538       1.535483  
1 1 1 -33 13 22 f 13.03700 0.9202282 1.697015       0.2385198 1.812415       0.3615713 1.608106       0.3173703 0.7744942      1.840456  
1 1 1 -33 13 23 o 33.80943 0.6965278 11.51034       0.4677548 11.89251       0.6320066 11.04745       0.6955616 1.259701       1.393056  
1 1 1 -33 13 24 o 20.23148 0.6844097 4.092552       0.2760972 4.265210       0.4097207 3.948931       0.3736837 0.7760105      1.368819  
1 1 1 -33 13 25 o 16.67339 0.8096187 2.885430       0.2604589 2.114755       0.3809329 3.562031       0.3569270 -4.344439      1.619237  
1 1 1 -33 13 26 o 13.66749 0.9023675 1.834837       0.2433090 2.319908       0.3752390 1.482949       0.3196006 3.050018       1.804735  
1 1 1 -33 13 27 o 42.30351 0.6802963 17.94811       0.5752221 18.08347       0.8295670 17.82277       0.7983072 0.3029518      1.360593  
1 1 1 -33 13 28 o 30.09996 0.6651356 9.095386       0.3999541 8.920363       0.5762445 9.258072       0.5555633 -0.5644207     1.330271  
1 1 1 -33 13 29 o 30.21809 0.6820234 9.086803       0.4101308 9.910463       0.6190130 8.442315       0.5475621 2.416956       1.364047  
1 1 1 -33 13 30 o 17.85379 0.8729283 3.165754       0.3093204 3.518671       0.4746502 2.905236       0.4078091 1.703493       1.745857  
1 1 1 -33 13 31 o 34.10341 0.6995836 11.64723       0.4761989 12.00613       0.7000192 11.33808       0.6496876 0.9708557      1.399167  
1 1 1 -33 13 32 o 32.05251 0.8574745 10.20142       0.5455045 11.34385       0.8369169 9.357540       0.7192940 3.073467       1.714949  
1 1 1 -33 13 33 o 41.27299 1.749983  0.000000       0.000000  ?              ?         17.22414       1.444540  ?              ?         
1 1 1 -33 14 1  o 35.58200 1.138661  12.74406       0.8092647 12.06705       1.111663  13.50734       1.180371  -2.004311      2.277321  
1 1 1 -33 14 2  o 25.81565 1.264947  6.739388       0.6530287 6.595893       0.9171425 6.886946       0.9300365 -0.5595951     2.529894  
1 1 1 -33 14 3  o 20.44087 1.449532  4.223400       0.5911834 4.645922       0.8649197 3.852917       0.8099080 1.919878       2.899063  
1 1 1 -33 14 4  o 37.59788 1.127648  14.22892       0.8469494 13.37713       1.168661  15.17119       1.229163  -2.369198      2.255295  
1 1 1 -33 14 5  o 33.80486 1.165487  11.46061       0.7853588 10.34667       1.066062  12.78264       1.161380  -3.576454      2.330973  
1 1 1 -33 14 6  o 29.50984 1.213638  8.753067       0.7130974 7.664452       0.9760149 9.999574       1.044399  -3.937048      2.427275  
1 1 1 -33 14 7  o 9.668187 2.164013  0.9129902      0.4840512 0.5574234      0.6666623 1.309460       0.7039634 -2.860073      4.328025  
1 1 1 -33 14 8  o 17.48497 1.567129  3.110391       0.5467286 2.863804       0.7723921 3.358002       0.7739922 -1.412632      3.134259  
1 1 1 -33 14 9  f 33.53726 1.131761  11.34704       0.7578875 12.16158       1.076982  10.54794       1.066721  2.403080       2.263521  
1 1 1 -33 14 10 o 16.74851 1.611256  2.834524       0.5379682 2.633077       0.7261671 3.079579       0.8009178 -1.305588      3.222512  
1 1 1 -33 14 11 o 30.29230 1.189582  9.198246       0.7157850 10.84386       1.055837  7.798734       0.9736915 5.004232       2.379163  
1 1 1 -33 14 12 o 45.78905 1.126890  21.05348       1.029591  19.95687       1.398955  22.34940       1.520785  -2.581608      2.253780  
1 1 1 -33 14 13 o 20.05624 1.439256  4.071436       0.5694826 5.016010       0.8299191 3.230907       0.7828782 4.435205       2.878512  
1 1 1 -33 14 14 o 45.18453 1.125935  20.58274       1.017323  20.68675       1.427743  20.47548       1.449939  0.2394104      2.251870  
1 1 1 -33 14 15 o 29.85588 1.192189  8.986312       0.7114921 9.236136       1.027094  8.755827       0.9865351 0.7934990      2.384378  
1 1 1 -33 14 16 o 17.38301 2.277710  0.000000       0.000000  ?              ?         3.071685       0.7918690 ?              ?         
1 1 1 -33 14 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 14 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 14 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 14 20 o 28.40306 0.6098068 8.028871       0.3442517 7.600697       0.4573966 8.588311       0.5228288 -1.729355      1.219614  
1 1 1 -33 14 21 f 18.90520 0.6212144 3.549004       0.2330132 3.845223       0.3575807 3.330389       0.3071904 1.354319       1.242429  
1 1 1 -33 14 22 o 12.97145 0.8049700 1.632888       0.2052439 2.094419       0.3256232 1.328656       0.2643728 2.940095       1.609940  
1 1 1 -33 14 23 o 36.38647 0.6381882 13.26200       0.4640161 13.60191       0.6734741 12.95483       0.6402237 0.8840904      1.276376  
1 1 1 -33 14 24 o 20.21574 0.6940364 4.140850       0.2774341 3.761090       0.4126105 4.454215       0.3748098 -1.720711      1.388073  
1 1 1 -33 14 25 o 10.78179 1.173595  1.278909       0.2296315 0.8418478      0.3520874 1.602438       0.3029253 -3.689589      2.347189  
1 1 1 -33 14 26 o 28.57159 0.6576627 8.211601       0.3746212 7.812010       0.5432636 8.573883       0.5172797 -1.337574      1.315325  
1 1 1 -33 14 27 o 19.45579 0.7439930 3.735285       0.2868719 4.316230       0.4433199 3.316777       0.3762719 2.556080       1.487986  
1 1 1 -33 14 28 o 40.94648 0.6881868 16.79929       0.5627052 17.19436       0.8226805 16.45197       0.7713663 0.8979034      1.376374  
1 1 1 -33 14 29 o 18.45266 0.9206907 3.455106       0.3356642 3.197821       0.5043448 3.659691       0.4497363 -1.263718      1.841381  
1 1 1 -33 14 30 o 16.59983 1.047646  2.787174       0.3426287 2.715106       0.5285898 2.839395       0.4499537 -0.3948784     2.095293  
1 1 1 -33 14 31 o 24.84558 1.221593  0.000000       0.000000  ?              ?         6.206647       0.6070234 ?              ?         
1 1 1 -33 15 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 15 2  o 24.21975 1.400496  6.011210       0.6705590 6.755774       0.9246029 5.185054       0.9739473 3.259350       2.800991  
1 1 1 -33 15 3  o 33.91859 1.205669  11.59305       0.8166480 11.14581       1.117878  12.10490       1.195894  -1.390800      2.411338  
1 1 1 -33 15 4  o 18.25294 1.654987  3.399982       0.6029884 3.312085       0.8733701 3.480045       0.8335330 -0.4763927     3.309973  
1 1 1 -33 15 5  o 35.36166 1.185131  12.62685       0.8378199 13.13277       1.193420  12.13520       1.176474  1.405483       2.370262  
1 1 1 -33 15 6  o 19.83302 1.547386  4.026919       0.6057993 3.270786       0.8515916 4.801581       0.8619617 -3.855211      3.094772  
1 1 1 -33 15 7  o 25.26484 1.310483  6.461453       0.6621348 6.372697       0.9363916 6.550213       0.9364085 -0.3513031     2.620965  
1 1 1 -33 15 8  o 48.56827 1.152768  23.78652       1.118894  23.24761       1.546165  24.37902       1.621210  -1.143185      2.305536  
1 1 1 -33 15 9  o 20.53877 1.476559  4.302757       0.6021207 4.886184       0.8509119 3.717640       0.8521440 2.845173       2.953117  
1 1 1 -33 15 10 o 15.43007 1.905297  2.496722       0.5683821 2.019899       0.7989914 2.985234       0.8087243 -3.366899      3.810595  
1 1 1 -33 15 11 o 41.28613 1.145890  17.20481       0.9452545 18.16349       1.341802  16.26032       1.331838  2.302082       2.291780  
1 1 1 -33 15 12 o 31.20742 1.198067  9.831095       0.7474085 10.26727       1.066886  9.410732       1.047374  1.366688       2.396134  
1 1 1 -33 15 13 o 38.85548 1.161102  15.20424       0.9013362 14.36158       1.243834  16.13600       1.307945  -2.265457      2.322204  
1 1 1 -33 15 14 o 11.18537 3.312308  0.000000       0.000000  ?              ?         1.320038       0.7926521 ?              ?         
1 1 1 -33 15 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 15 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 15 17 o 40.08453 1.656386  16.21915       1.327909  16.21915       1.327909  ?              ?         ?              ?         
1 1 1 -33 15 18 o 28.83496 1.262891  8.406203       0.7282830 8.432208       1.034871  8.380688       1.025094  0.8631134E-01  2.525781  
1 1 1 -33 15 19 o 28.48404 1.231918  8.202260       0.7015609 8.356146       0.9859762 8.044456       0.9984555 0.5509357      2.463837  
1 1 1 -33 15 20 o 21.85600 1.437124  4.849769       0.6276455 4.629548       0.8891157 5.068518       0.8861414 -1.005301      2.874248  
1 1 1 -33 15 21 f 28.01825 1.259001  7.932310       0.7048650 7.472498       0.9827986 8.419351       1.011479  -1.680611      2.518003  
1 1 1 -33 15 22 o 26.67588 1.285714  7.202293       0.6855071 7.128515       0.9843293 7.271774       0.9552321 -0.2779560     2.571427  
1 1 1 -33 15 23 o 45.80548 1.173222  21.12911       1.073304  22.33038       1.568535  20.07139       1.471838  2.437462       2.346444  
1 1 1 -33 15 24 o 21.27945 1.512664  4.594570       0.6427674 4.701113       0.9397564 4.500912       0.8810972 0.4485245      3.025328  
1 1 1 -33 15 25 o 34.25822 1.250227  11.86456       0.8554398 11.07012       1.201026  12.68257       1.218717  -2.347984      2.500454  
1 1 1 -33 15 26 o 13.17889 1.781271  0.000000       0.000000  ?              ?         1.755920       0.4695036 ?              ?         
1 1 1 -33 15 27 o 5.983574 2.347335  0.000000       0.000000  ?              ?         0.2202914      0.4089735 ?              ?         
1 1 1 -33 15 28 o 25.93549 1.487719  0.000000       0.000000  ?              ?         6.780340       0.7716947 ?              ?         
1 1 1 -33 16 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 16 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 16 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 16 6  o 38.11525 1.778098  14.68715       1.355453  14.68715       1.355453  ?              ?         ?              ?         
1 1 1 -33 16 7  o 21.62956 1.534775  4.742521       0.6625102 5.200040       0.9612401 4.328525       0.9143775 1.997108       3.069550  
1 1 1 -33 16 8  f 46.03224 1.178686  21.37860       1.084620  22.33748       1.554322  20.46854       1.514232  2.018513       2.357373  
1 1 1 -33 16 9  o 41.35532 1.174815  17.26572       0.9716796 17.40594       1.378116  17.12710       1.370243  0.3348579      2.349630  
1 1 1 -33 16 10 o 25.00755 1.373126  6.334033       0.6864734 6.398440       0.9874384 6.273786       0.9550132 0.2382641      2.746252  
1 1 1 -33 16 11 o 49.36513 1.193009  24.56556       1.176402  23.71685       1.615338  25.52406       1.716648  -1.800526      2.386018  
1 1 1 -33 16 12 o 29.56108 1.888781  0.000000       0.000000  ?              ?         8.848124       1.116688  ?              ?         
1 1 1 -33 16 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 16 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 16 15 o 14.65065 2.876844  2.279053       0.8129101 2.279053       0.8129101 ?              ?         ?              ?         
1 1 1 -33 16 16 o 15.76628 1.944016  2.583332       0.5993091 2.827316       0.8675191 2.360587       0.8289013 1.701468       3.888033  
1 1 1 -33 16 17 o 25.22105 1.368446  6.435438       0.6885312 5.825697       0.9556347 7.093653       0.9928940 -2.501101      2.736892  
1 1 1 -33 16 18 o 8.355631 2.243993  0.4088878      0.5470264 0.9408399      0.7939917 -0.7175066E-01 0.7547255 2.977005       4.487987  
1 1 1 -33 16 19 o 9.788136 2.248799  0.8658397      0.5602558 0.1388146      0.8065591 1.543703       0.7788118 -4.425385      4.497598  
1 1 1 -33 16 20 o 18.26822 1.736461  3.391050       0.6328124 3.630921       0.9368130 3.189744       0.8582083 1.174191       3.472922  
1 1 1 -33 16 21 o 8.833065 3.404570  0.5629153      0.8525116 0.5629153      0.8525116 ?              ?         ?              ?         
1 1 1 -33 16 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 16 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 16 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 16 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -33 17 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 0  1  o 42.09200 0.8684307 17.75628       0.7288212 18.50044       1.063257  17.09675       1.000978  -0.000000      0.000000  
1 1 1 -32 0  2  o 25.44346 0.8286873 6.522442       0.4197184 6.394679       0.5882481 6.654939       0.5990420 -0.000000      0.000000  
1 1 1 -32 0  3  f 43.20150 0.8825805 18.73906       0.7610492 18.82199       1.087085  18.65934       1.065803  -0.000000      0.000000  
1 1 1 -32 0  4  o 7.264875 1.766566  0.6832284      0.2677007 0.3259222      0.3651325 1.098516       0.3936452 -0.000000      0.000000  
1 1 1 -32 0  5  f 25.84131 0.8332547 6.722134       0.4284900 6.444096       0.5959449 7.019713       0.6165320 -0.000000      0.000000  
1 1 1 -32 0  6  o 27.04557 0.8222734 7.364289       0.4429283 7.552977       0.6300057 7.179865       0.6228460 -0.000000      0.000000  
1 1 1 -32 0  7  o 18.55119 0.9377177 3.482640       0.3434494 3.210524       0.4673180 3.802250       0.5064618 -0.000000      0.000000  
1 1 1 -32 0  8  o 44.75554 0.9033272 20.10068       0.8068790 19.60042       1.124683  20.63126       1.158256  -0.000000      0.000000  
1 1 1 -32 0  9  o 8.710347 1.830290  0.9585357      0.2787806 1.068219       0.3727333 0.8192741      0.4199952 -0.000000      0.000000  
1 1 1 -32 0  10 o 56.25820 1.266226  32.02340       1.338424  32.38173       1.642803  31.31600       2.308204  -0.000000      0.000000  
1 1 1 -32 0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 0  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 0  14 o 24.12104 1.318549  5.880112       0.6320978 5.880112       0.6320978 5.880112       0.6320978 -0.000000      0.000000  
1 1 1 -32 0  15 o 13.34729 1.257126  1.801138       0.3126889 1.407113       0.4024200 2.401526       0.4967458 -0.000000      0.000000  
1 1 1 -32 0  16 o 40.53603 0.8918928 16.49228       0.7210514 16.17290       0.9980878 16.84093       1.042824  -0.000000      0.000000  
1 1 1 -32 0  17 f 44.74557 0.9339203 20.10790       0.8341438 20.20176       1.185331  20.01582       1.174064  -0.000000      0.000000  
1 1 1 -32 0  18 o 17.97927 1.063142  3.333154       0.3719636 3.494682       0.4958593 3.125299       0.5624907 -0.000000      0.000000  
1 1 1 -32 0  19 f 19.27189 1.018107  3.751725       0.3853462 3.532821       0.5100814 4.042753       0.5881402 -0.000000      0.000000  
1 1 1 -32 0  20 o 21.21171 0.9930156 4.614640       0.4126803 5.042511       0.5626752 4.116557       0.6070881 -0.000000      0.000000  
1 1 1 -32 0  21 o 56.89462 1.042831  32.50755       1.184862  32.53136       1.674640  32.48367       1.676658  -0.000000      0.000000  
1 1 1 -32 0  22 o 8.106339 1.761655  0.9084037      0.3296855 1.461332       0.4382191 0.1873004      0.5004441 -0.000000      0.000000  
1 1 1 -32 0  23 o 24.96118 0.9482234 6.304604       0.4695975 6.470364       0.6501985 6.123857       0.6789568 -0.000000      0.000000  
1 1 1 -32 0  24 o 38.20474 0.9195600 14.66366       0.7003471 15.45258       1.002767  13.91238       0.9785578 -0.000000      0.000000  
1 1 1 -32 0  25 o 7.450763 2.251725  0.7797490      0.3400628 0.6603099      0.4487378 0.9408759      0.5211985 -0.000000      0.000000  
1 1 1 -32 0  26 o 13.08371 1.584273  1.821759       0.3786702 1.585304       0.5082382 2.116808       0.5677277 -0.000000      0.000000  
1 1 1 -32 0  27 o 4.458465 1.958132  0.1558633      0.3411645 0.2354351      0.4370882 0.3180081E-01  0.5457701 -0.000000      0.000000  
1 1 1 -32 0  28 o 26.48186 0.9797727 7.089510       0.5155718 7.198525       0.7197757 6.974639       0.7388557 -0.000000      0.000000  
1 1 1 -32 0  29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 0  30 o 11.98213 1.939505  1.743237       0.3952057 2.179605       0.5352638 1.220251       0.5859842 -0.000000      0.000000  
1 1 1 -32 0  31 o 11.62245 1.994348  1.631911       0.3989152 1.979456       0.5378609 1.207007       0.5947166 -0.000000      0.000000  
1 1 1 -32 0  32 o 21.89401 1.093420  4.826896       0.4713640 4.338773       0.6292134 5.451175       0.7115781 -0.000000      0.000000  
1 1 1 -32 0  33 o 15.31461 1.430903  2.492185       0.4125356 2.719383       0.5550190 2.211715       0.6166651 -0.000000      0.000000  
1 1 1 -32 0  34 o 32.45055 0.9730421 10.61227       0.6285602 11.17585       0.8954616 10.06486       0.8825165 -0.000000      0.000000  
1 1 1 -32 0  35 f 23.74149 1.095489  5.726734       0.5155724 5.619021       0.7282839 5.834949       0.7299781 -0.000000      0.000000  
1 1 1 -32 0  36 o 74.27820 1.281724  55.42808       1.899534  53.49045       2.613428  57.59813       2.765732  -0.000000      0.000000  
1 1 1 -32 0  37 o 16.50257 1.440230  2.859827       0.4632459 2.756563       0.6471998 2.968309       0.6633561 -0.000000      0.000000  
1 1 1 -32 0  38 o 46.21129 1.036655  21.48035       0.9557897 21.94526       1.368231  21.03725       1.335736  -0.000000      0.000000  
1 1 1 -32 0  39 o 5.101870 2.059730  0.9387453E-01  0.4022265 0.7154140      0.5522591 -0.6083158     0.5869972 -0.000000      0.000000  
1 1 1 -32 0  40 o 10.03351 2.309698  1.320188       0.4206628 1.570777       0.5819488 1.045968       0.6087713 -0.000000      0.000000  
1 1 1 -32 0  41 f 7.819295 2.524963  0.9070851      0.4274901 0.9491638      0.5773781 0.8560301      0.6359870 -0.000000      0.000000  
1 1 1 -32 0  42 o 23.02971 1.186124  5.357260       0.5342954 6.563002       0.7974020 4.374879       0.7197641 -0.000000      0.000000  
1 1 1 -32 0  43 f 5.747927 2.279030  0.4187048      0.4174279 0.6913935      0.5635980 0.8735161E-01  0.6212716 -0.000000      0.000000  
1 1 1 -32 0  44 o 29.15525 1.085631  8.611344       0.6284324 9.141527       0.8905506 8.085459       0.8869355 -0.000000      0.000000  
1 1 1 -32 0  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 1  1  o 54.59099 0.6982120 29.81445       0.7615488 30.99204       1.107959  28.75988       1.048486  2.037998       1.396424  
1 1 1 -32 1  2  o 30.39229 0.5823538 9.249732       0.3539668 9.368140       0.5024738 9.133089       0.4987166 0.3863659      1.164708  
1 1 1 -32 1  3  f 34.81365 0.5846270 12.11117       0.4066210 12.82289       0.5907405 11.47034       0.5605449 1.939945       1.169254  
1 1 1 -32 1  4  o 51.02886 0.6754548 26.08527       0.6893041 26.37665       0.9820436 25.80229       0.9677594 0.5613632      1.350910  
1 1 1 -32 1  5  o 65.72432 0.7912338 43.27176       1.039467  44.35975       1.501425  42.27022       1.440523  1.582573       1.582468  
1 1 1 -32 1  6  o 13.20423 0.7952237 1.750450       0.2096807 1.649976       0.2980047 1.848964       0.2950835 -0.7538376     1.590447  
1 1 1 -32 1  7  o 15.97030 0.7229540 2.549694       0.2301512 2.856956       0.3339380 2.271694       0.3176391 1.830640       1.445908  
1 1 1 -32 1  8  o 33.38294 0.8136790 11.17025       0.5431623 11.43782       0.7763121 10.91366       0.7602351 0.7832031      1.627358  
1 1 1 -32 1  9  o 46.11782 0.9100879 21.26954       0.8379629 20.13187       1.144836  22.58244       1.229842  -2.645821      1.820176  
1 1 1 -32 1  10 o 48.19309 0.8512318 23.28066       0.8059291 23.22694       1.045456  23.35934       1.265253  -0.1110115     1.702464  
1 1 1 -32 1  11 o 47.97887 0.6626452 23.05971       0.6358050 23.04286       0.8931916 23.07703       0.9052581 -0.3448105E-01 1.325290  
1 1 1 -32 1  12 o 50.39663 0.6780491 25.42231       0.6831059 26.18738       0.9846116 24.71231       0.9485144 1.460033       1.356098  
1 1 1 -32 1  13 o 22.81143 0.6327599 5.188531       0.2880186 4.777895       0.3930605 5.664676       0.4232526 -1.941048      1.265520  
1 1 1 -32 1  14 o 29.18797 0.7338299 8.192021       0.3995009 7.636926       0.4774007 9.488955       0.7297221 -3.146774      1.467660  
1 1 1 -32 1  15 o 61.46245 1.086690  37.90858       1.334767  36.87342       1.843669  39.04876       1.934929  -1.755749      2.173380  
1 1 1 -32 1  16 f 34.16727 0.8724530 11.68556       0.5954075 10.89874       0.8231233 12.54908       0.8623098 -2.410286      1.744906  
1 1 1 -32 1  17 o 24.18403 0.8662210 5.987103       0.4043071 5.363089       0.6447616 6.391473       0.5190297 -2.141304      1.732442  
1 1 1 -32 1  18 o 30.02359 0.7839277 9.053645       0.4380129 8.989507       0.7764978 9.083578       0.5304650 -0.1836662     1.567855  
1 1 1 -32 1  19 o 33.99203 0.6203942 11.56124       0.4214444 10.94322       0.5867910 12.21971       0.6056828 -1.875942      1.240788  
1 1 1 -32 1  20 o 32.26209 0.6234689 10.41670       0.4021224 10.05079       0.5600522 10.80609       0.5777338 -1.168966      1.246938  
1 1 1 -32 1  21 o 39.63034 0.6430464 15.73248       0.5096777 15.71803       0.7222340 15.74682       0.7193609 -0.3659821E-01 1.286093  
1 1 1 -32 1  22 o 10.54975 1.171696  1.151246       0.2353803 0.8599908      0.3302008 1.452142       0.3356214 -2.953102      2.343393  
1 1 1 -32 1  23 o 44.05305 0.6658382 19.43848       0.5865821 19.08070       0.8232397 19.80746       0.8360125 -0.8236160     1.331676  
1 1 1 -32 1  24 o 29.96968 0.6448402 8.982597       0.3861036 8.435271       0.5349606 9.577703       0.5578225 -1.903801      1.289680  
1 1 1 -32 1  25 f 21.89097 0.7091594 4.801525       0.3095163 4.307664       0.4316894 5.323990       0.4440150 -2.320021      1.418319  
1 1 1 -32 1  26 o 25.02252 0.6754918 6.270007       0.3379059 6.021012       0.4719602 6.531878       0.4840100 -1.019545      1.350984  
1 1 1 -32 1  27 o 18.81964 0.7838089 3.551320       0.2950013 3.511084       0.4143871 3.592664       0.4200604 -0.2160206     1.567618  
1 1 1 -32 1  28 o 16.96531 1.030691  2.837414       0.3425661 3.160722       0.5536842 2.636896       0.4360427 1.523380       2.061382  
1 1 1 -32 1  29 o 16.15693 0.9013662 2.630445       0.2893896 2.986060       0.4105709 2.279342       0.4079589 2.186634       1.802732  
1 1 1 -32 1  30 o 38.59521 0.7468213 15.03729       0.5675312 14.32885       0.8719881 15.55793       0.7475300 -1.608501      1.493643  
1 1 1 -32 1  31 o 10.99800 1.315000  1.294931       0.2682676 0.6910235      0.3746108 1.930655       0.3843522 -5.727254      2.630000  
1 1 1 -32 1  32 o 41.15791 0.6805175 16.97376       0.5600739 16.55114       0.7848451 17.41229       0.7994861 -1.044399      1.361035  
1 1 1 -32 1  33 f 16.34473 0.9341477 2.685096       0.3039118 3.035480       0.4356022 2.352790       0.4242163 2.086507       1.868295  
1 1 1 -32 1  34 o 19.17784 0.8384169 3.691743       0.3211297 3.437981       0.4504717 3.953955       0.4579116 -1.344078      1.676834  
1 1 1 -32 1  35 f 41.28326 0.6932205 17.08787       0.5723639 16.99734       0.8084516 17.17885       0.8104419 -0.2195740     1.386441  
1 1 1 -32 1  36 o 5.215198 1.520834  0.2208147E-01  0.2707997 0.2574735      0.3775985 -0.2271943     0.3885746 1.551335       3.041667  
1 1 1 -32 1  37 o 62.43324 0.8156251 39.05891       1.017254  37.77683       1.398014  40.50155       1.482971  -2.168110      1.631250  
1 1 1 -32 1  38 o 16.84149 0.9463953 2.849267       0.3184553 2.674929       0.4436800 3.034519       0.4573591 -1.064774      1.892791  
1 1 1 -32 1  39 f 33.04227 0.7144761 10.94897       0.4719956 10.80448       0.6573219 11.10277       0.6781714 -0.4480438     1.428952  
1 1 1 -32 1  40 o 29.34217 0.7486736 8.531098       0.4353443 10.34843       0.6539571 7.084737       0.5834052 5.549841       1.497347  
1 1 1 -32 1  41 f 49.52810 0.7523415 24.62023       0.7452245 24.52088       1.055988  24.71881       1.051837  -0.2005310     1.504683  
1 1 1 -32 1  42 o 17.67317 0.9904102 3.160557       0.3434251 3.969953       0.4956840 2.413378       0.4762516 4.399285       1.980820  
1 1 1 -32 1  43 o 9.729506 1.556767  0.9963282      0.3099555 1.403282       0.4374970 0.5862103      0.4391944 4.088691       3.113533  
1 1 1 -32 1  44 o 27.80802 0.7820168 7.757212       0.4344197 7.245676       0.6044630 8.303685       0.6247643 -1.898451      1.564034  
1 1 1 -32 1  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 2  1  o 17.47036 0.6584675 3.058513       0.2294599 3.359942       0.3281933 2.770262       0.3209388 1.686911       1.316935  
1 1 1 -32 2  2  o 68.53647 0.8123612 47.04601       1.112595  48.52209       1.614287  45.71039       1.535557  2.041527       1.624722  
1 1 1 -32 2  3  o 62.78859 0.7643761 39.51515       0.9597765 39.15816       1.345340  39.88515       1.369645  -0.5761642     1.528752  
1 1 1 -32 2  4  o 31.58398 0.5796112 9.985230       0.3660299 10.31209       0.5231693 9.671829       0.5122910 1.012650       1.159222  
1 1 1 -32 2  5  o 53.23199 0.8341709 28.63687       0.8507918 27.64014       1.411194  29.20603       1.066388  -1.512333      1.668342  
1 1 1 -32 2  6  o 55.36423 0.9821427 30.77319       1.087494  30.93682       1.543319  30.61182       1.532634  0.2919807      1.964285  
1 1 1 -32 2  7  o 27.03577 0.7952780 7.268207       0.4278501 8.369184       0.6357007 6.356508       0.5784816 3.715637       1.590556  
1 1 1 -32 2  8  o 35.01994 0.7090578 12.34229       0.4737340 12.46900       0.5891863 12.11056       0.7967749 0.5327606      1.418116  
1 1 1 -32 2  9  f 19.62828 0.6431540 3.858496       0.2516149 3.443027       0.3507490 4.298978       0.3611534 -2.179443      1.286308  
1 1 1 -32 2  10 o 39.64801 0.6123869 15.73899       0.4855294 16.03335       0.6935928 15.45614       0.6798965 0.7267265      1.224774  
1 1 1 -32 2  11 o 15.24782 0.7586282 2.338218       0.2289213 2.776754       0.3282291 1.922860       0.3194371 2.799115       1.517256  
1 1 1 -32 2  12 o 33.25669 0.5958995 11.07153       0.3962762 10.83944       0.5540198 11.31466       0.5670458 -0.7133789     1.191799  
1 1 1 -32 2  13 o 56.02142 0.7169034 31.40647       0.8025879 32.47355       1.164078  30.43962       1.108055  1.809647       1.433807  
1 1 1 -32 2  14 o 22.84766 0.6237679 5.234323       0.2845278 5.594465       0.4024483 4.874414       0.4023180 1.575754       1.247536  
1 1 1 -32 2  15 o 22.43463 0.6406817 5.042491       0.2871244 5.366640       0.4085933 4.726274       0.4035638 1.426727       1.281363  
1 1 1 -32 2  16 o 14.15246 0.8266945 2.008657       0.2339150 2.074949       0.3315554 1.942960       0.3300613 0.4661350      1.653389  
1 1 1 -32 2  17 o 30.91366 0.6613141 9.552980       0.4030333 9.454216       0.5260180 9.693388       0.6271859 -0.3773193     1.322628  
1 1 1 -32 2  18 o 34.31808 0.7616185 11.84451       0.4918590 11.92274       0.6022955 11.68789       0.8522256 0.3690834      1.523237  
1 1 1 -32 2  19 o 27.65871 0.9003921 7.680636       0.4977105 7.488967       0.7116360 7.864160       0.6963506 -0.6802444     1.800784  
1 1 1 -32 2  20 o 14.00104 1.390035  2.083599       0.3629335 1.567501       0.5463772 2.491140       0.4855257 -3.487644      2.780070  
1 1 1 -32 2  21 o 29.77753 0.9133253 8.900431       0.5430586 8.845452       0.7893827 8.949830       0.7482674 -0.1807442     1.826651  
1 1 1 -32 2  22 o 27.51706 0.8122802 7.688729       0.4149296 7.330548       0.7311383 7.858893       0.5039435 -0.9864159     1.624560  
1 1 1 -32 2  23 o 26.69216 0.8458339 7.236144       0.4133374 6.919325       0.7472384 7.375824       0.4961561 -0.8855000     1.691668  
1 1 1 -32 2  24 o 54.02602 0.7260820 29.22585       0.7841756 28.32044       1.089145  30.20040       1.129964  -1.735451      1.452164  
1 1 1 -32 2  25 o 42.35819 0.6635973 17.97581       0.5621611 17.79460       0.7931248 18.15877       0.7969206 -0.4294891     1.327195  
1 1 1 -32 2  26 o 13.53097 1.284598  1.849223       0.3452663 1.889583       0.4649815 1.799620       0.5154735 0.3426342      2.569197  
1 1 1 -32 2  27 o 16.39985 0.8366765 2.699149       0.2743379 2.637905       0.3896587 2.759344       0.3863077 -0.3707027     1.673353  
1 1 1 -32 2  28 o 12.03290 1.106857  1.464595       0.2637776 1.225909       0.3717601 1.706591       0.3743289 -1.996886      2.213715  
1 1 1 -32 2  29 o 56.74557 0.7537602 32.21181       0.8542525 30.82035       1.170807  33.79582       1.249190  -2.611450      1.507520  
1 1 1 -32 2  30 o 18.29667 0.8247976 3.361148       0.3016230 3.248696       0.4289041 3.471174       0.4242527 -0.6086483     1.649595  
1 1 1 -32 2  31 o 60.68760 0.7852461 36.93834       0.9530311 36.49702       1.338640  37.39193       1.357129  -0.7347412     1.570492  
1 1 1 -32 2  32 f 10.54995 1.368672  1.148439       0.2811917 1.318810       0.3988422 0.9800647      0.3964984 1.780996       2.737343  
1 1 1 -32 2  33 o 51.99918 0.7319809 27.11251       0.7612306 26.85497       1.073753  27.37274       1.079354  -0.4971199     1.463962  
1 1 1 -32 2  34 o 29.70683 0.6989677 8.827843       0.4144878 8.093112       0.5726931 9.636071       0.6006546 -2.593319      1.397935  
1 1 1 -32 2  35 o 10.97530 1.315938  1.240834       0.2808287 1.371582       0.3938324 1.105582       0.4005566 1.380692       2.631876  
1 1 1 -32 2  36 o 37.16946 0.6963261 13.80778       0.5167632 12.85939       0.7087055 14.88449       0.7551286 -2.717693      1.392652  
1 1 1 -32 2  37 o 29.17625 0.7204869 8.539188       0.4200673 8.508159       0.6060563 8.567878       0.5827582 -0.1057587     1.440974  
1 1 1 -32 2  38 o 18.23578 0.9026342 3.350145       0.3277778 2.981407       0.4621261 3.723456       0.4649827 -2.034035      1.805268  
1 1 1 -32 2  39 o 30.99435 0.7257633 9.628856       0.4496590 10.03841       0.6470870 9.246417       0.6253003 1.274115       1.451527  
1 1 1 -32 2  40 o 44.27461 0.7265729 19.63033       0.6425703 20.38317       0.9377838 18.96404       0.8822223 1.593708       1.453146  
1 1 1 -32 2  41 o 33.69405 0.7294915 11.39214       0.4907859 10.54290       0.6876514 12.27387       0.7006842 -2.566479      1.458983  
1 1 1 -32 2  42 o 33.41777 0.7420520 11.20772       0.4958564 11.28188       0.7092927 11.13682       0.6934687 0.2142258      1.484104  
1 1 1 -32 2  43 o 17.68769 0.9881812 3.150383       0.3495671 3.146995       0.4956380 3.153737       0.4930969 -0.1969337E-01 1.976362  
1 1 1 -32 2  44 o 35.77577 0.7434427 12.84961       0.5318465 12.56875       0.7522870 13.13026       0.7520019 -0.7848091     1.486885  
1 1 1 -32 2  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 3  1  o 37.84179 0.5912372 14.28439       0.4465571 15.44278       0.6558734 13.28334       0.6097052 2.848854       1.182474  
1 1 1 -32 3  2  o 38.66494 0.5961483 14.95986       0.4607963 14.48598       0.6405264 15.46820       0.6634043 -1.268055      1.192297  
1 1 1 -32 3  3  o 66.25529 0.9667104 43.41987       1.196184  45.88863       2.138094  42.29510       1.443176  2.611870       1.933421  
1 1 1 -32 3  4  o 28.22618 0.7429726 7.977792       0.4191791 7.764848       0.5807451 8.209395       0.6056567 -0.7847366     1.485945  
1 1 1 -32 3  5  o 50.83414 0.8048604 26.21600       0.7886012 27.12570       1.000323  24.72233       1.281797  2.396702       1.609721  
1 1 1 -32 3  6  o 28.13025 0.5778367 7.910769       0.3247862 7.622037       0.4475734 8.231925       0.4720363 -1.081972      1.155673  
1 1 1 -32 3  7  o 40.19863 0.6096767 16.17944       0.4900851 16.56942       0.6994451 15.80332       0.6868951 0.9517822      1.219353  
1 1 1 -32 3  8  o 28.69950 0.5790734 8.209082       0.3315958 7.622547       0.4511722 8.898103       0.4890035 -2.219072      1.158147  
1 1 1 -32 3  9  o 13.97338 0.7653363 1.956600       0.2137455 1.940292       0.2963967 1.974271       0.3085320 -0.1202393     1.530673  
1 1 1 -32 3  10 o 32.87580 0.5911158 10.75032       0.3873499 9.811631       0.5235825 11.88522       0.5757117 -3.149223      1.182232  
1 1 1 -32 3  11 o 42.36755 0.6257020 17.97594       0.5301490 18.24758       0.7549874 17.71172       0.7446082 0.6314659      1.251404  
1 1 1 -32 3  12 o 40.98542 0.6206074 16.81540       0.5085543 17.16762       0.7306069 16.48435       0.7083197 0.8315735      1.241215  
1 1 1 -32 3  13 o 19.17072 0.6680230 3.679666       0.2554413 4.058788       0.3669254 3.323132       0.3558273 1.917639       1.336046  
1 1 1 -32 3  14 o 32.31009 0.5990582 10.44364       0.3869089 10.83079       0.5579340 10.08499       0.5370093 1.152336       1.198116  
1 1 1 -32 3  15 o 26.62777 0.6075038 7.092523       0.3233187 7.442069       0.4659299 6.767885       0.4490222 1.264467       1.215008  
1 1 1 -32 3  16 o 50.20016 0.6820539 25.21317       0.6842265 24.39877       0.9445930 26.11222       0.9924660 -1.701923      1.364108  
1 1 1 -32 3  17 o 40.53741 0.6288823 16.40799       0.5090528 17.45274       0.7454503 15.49509       0.6968258 2.410202       1.257765  
1 1 1 -32 3  18 o 34.07694 0.6138888 11.61421       0.4180931 12.17863       0.6039104 11.09467       0.5793971 1.588280       1.227778  
1 1 1 -32 3  19 o 25.91952 0.6285188 6.726346       0.3255698 7.100889       0.4653969 6.367392       0.4556094 1.414053       1.257038  
1 1 1 -32 3  20 o 17.18355 0.7499241 2.961729       0.2569123 2.664577       0.3600219 3.270056       0.3667285 -1.761066      1.499848  
1 1 1 -32 3  21 o 16.47603 0.7831015 2.733803       0.2551048 2.233646       0.3567391 3.257239       0.3649465 -3.105377      1.566203  
1 1 1 -32 3  22 o 35.45009 0.6911056 12.62399       0.4844426 12.81337       0.6414115 12.37250       0.7391476 0.6317062      1.382211  
1 1 1 -32 3  23 o 56.66894 0.9204352 32.19226       0.9772987 32.12654       1.189253  32.32896       1.715126  -0.1080284     1.840870  
1 1 1 -32 3  24 o 35.10504 2.038816  12.43302       1.431454  12.43302       1.431454  ?              ?         ?              ?         
1 1 1 -32 3  25 o 65.70792 1.172560  43.41535       1.540518  42.52361       2.148551  44.35882       2.209991  -1.385284      2.345119  
1 1 1 -32 3  26 o 29.66919 0.9773883 8.769305       0.5766506 9.496078       0.8741506 8.209383       0.7672758 2.151552       1.954777  
1 1 1 -32 3  27 o 42.24339 0.9772449 17.93332       0.8252414 17.60736       1.178590  18.24684       1.155877  -0.7606125     1.954490  
1 1 1 -32 3  28 o 54.03594 1.053912  29.34219       1.138682  28.66777       1.588570  30.05488       1.633029  -1.275410      2.107824  
1 1 1 -32 3  29 o 47.41940 0.9189085 22.58254       0.8463286 22.57057       1.370984  22.58992       1.075773  -0.6767273E-01 1.837817  
1 1 1 -32 3  30 o 12.57987 1.482899  1.612322       0.3215019 1.661934       0.6220827 1.594242       0.3755437 -0.2321625E-01 2.965797  
1 1 1 -32 3  31 o 52.72608 0.9186975 27.76732       0.8975943 28.31737       1.614230  27.52113       1.079945  0.6698647      1.837395  
1 1 1 -32 3  32 f 49.65232 0.7741417 24.84456       0.7637518 23.53019       1.128585  25.95508       1.037385  -2.454407      1.548283  
1 1 1 -32 3  33 o 17.68144 0.8840930 3.137056       0.3125450 3.230884       0.4483990 3.048394       0.4358776 0.5140266      1.768186  
1 1 1 -32 3  34 o 11.15036 1.307580  1.279818       0.2822091 1.492406       0.4019342 1.073115       0.3963327 2.042988       2.615159  
1 1 1 -32 3  35 o 14.12400 1.091042  2.029790       0.3041982 1.681456       0.4349517 2.363311       0.4256031 -2.415806      2.182083  
1 1 1 -32 3  36 o 7.077329 1.651273  0.4676297      0.2758341 0.6406619      0.4049774 0.3178944      0.3767292 1.647995       3.302546  
1 1 1 -32 3  37 o 34.63081 0.7064382 12.01270       0.4887007 11.20863       0.6790947 12.87639       0.7038227 -2.404293      1.412876  
1 1 1 -32 3  38 o 28.92118 0.7347016 8.351108       0.4238898 9.153238       0.6243569 7.665234       0.5773412 2.564833       1.469403  
1 1 1 -32 3  39 o 26.65799 0.7648833 7.109948       0.4068096 7.849109       0.5923456 6.450076       0.5596748 2.618521       1.529767  
1 1 1 -32 3  40 o 17.25234 0.9611703 2.983290       0.3309437 3.265628       0.4831237 2.733682       0.4542590 1.535482       1.922341  
1 1 1 -32 3  41 o 50.48501 0.7574735 25.53483       0.7639272 26.56497       1.113802  24.61975       1.049753  1.915310       1.514947  
1 1 1 -32 3  42 o 10.95132 1.451377  1.281637       0.3078747 0.5438859      0.4238232 2.105890       0.4479817 -7.001136      2.902754  
1 1 1 -32 3  43 o 39.43416 0.7350762 15.60967       0.5797168 15.68173       0.8244197 15.53919       0.8153424 0.1790581      1.470152  
1 1 1 -32 3  44 o 18.88458 0.9937969 3.605078       0.3724716 3.078175       0.5243250 4.141860       0.5292179 -2.815102      1.987594  
1 1 1 -32 3  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 4  1  o 20.75346 0.6911592 4.288414       0.2859361 4.740735       0.4244249 3.912498       0.3869217 1.991133       1.382318  
1 1 1 -32 4  2  o 29.01151 0.7209382 8.422572       0.4178049 9.026884       0.6033767 7.865907       0.5791013 1.998098       1.441876  
1 1 1 -32 4  3  o 30.25182 0.6563054 9.152947       0.3851264 9.103654       0.4877943 9.234529       0.6275311 -0.2022324     1.312611  
1 1 1 -32 4  4  o 48.26491 0.6524830 23.24688       0.6285440 24.81524       0.9255918 21.90472       0.8562440 3.008335       1.304966  
1 1 1 -32 4  5  o 41.41887 0.6106520 17.18242       0.5058225 17.22145       0.7120748 17.14266       0.7186528 0.9571457E-01  1.221304  
1 1 1 -32 4  6  o 18.71162 0.6424730 3.534078       0.2372869 4.213513       0.3369392 2.865542       0.3342259 3.601709       1.284946  
1 1 1 -32 4  7  o 21.10074 0.6018695 4.455415       0.2537942 4.372842       0.3507209 4.546186       0.3677205 -0.4092541     1.203739  
1 1 1 -32 4  8  o 45.82508 0.6382011 21.03275       0.5848839 21.25270       0.8320622 20.81792       0.8223253 0.4734840      1.276402  
1 1 1 -32 4  9  o 23.85966 0.5892281 5.668871       0.2802331 5.085095       0.3816200 6.352062       0.4128373 -2.652357      1.178456  
1 1 1 -32 4  10 o 15.76756 0.7145217 2.487743       0.2241642 2.156728       0.3100832 2.850110       0.3244356 -2.197272      1.429043  
1 1 1 -32 4  11 o 18.39309 0.6604669 3.371885       0.2409624 2.807626       0.3289552 4.025191       0.3539618 -3.307455      1.320934  
1 1 1 -32 4  12 o 47.34668 0.6562087 22.45369       0.6213422 22.72460       0.8850716 22.19044       0.8724847 0.5629044      1.312417  
1 1 1 -32 4  13 f 27.79017 0.5921834 7.727124       0.3289826 8.041564       0.4730214 7.432528       0.4578525 1.094471       1.184367  
1 1 1 -32 4  14 o 26.28366 0.5970796 6.918252       0.3138644 6.967635       0.4449889 6.869362       0.4427620 0.1867523      1.194159  
1 1 1 -32 4  15 o 36.65379 0.6078765 13.45531       0.4455954 13.26658       0.6289188 13.64555       0.6314226 -0.5167313     1.215753  
1 1 1 -32 4  16 o 45.06313 0.6489018 20.30014       0.5841014 21.17163       0.8525097 19.52906       0.8018997 1.817741       1.297804  
1 1 1 -32 4  17 o 16.47007 0.7443587 2.722951       0.2439335 3.080259       0.3485313 2.379867       0.3415236 2.125500       1.488717  
1 1 1 -32 4  18 o 51.92909 0.6973773 26.99792       0.7239377 27.75104       1.043715  26.29966       1.004988  1.393517       1.394755  
1 1 1 -32 4  19 o 32.65096 0.6119754 10.66506       0.3993312 10.11263       0.5551438 11.25741       0.5748507 -1.751299      1.223951  
1 1 1 -32 4  20 o 43.60611 0.6522011 19.00489       0.5681271 18.11240       0.7809752 20.00807       0.8279905 -2.169136      1.304402  
1 1 1 -32 4  21 o 49.43321 0.6898757 24.43525       0.6811938 25.45249       0.9944084 23.53584       0.9350374 1.932602       1.379751  
1 1 1 -32 4  22 o 43.69151 0.8995267 19.10050       0.7848427 20.16649       1.149033  18.16818       1.074575  2.276901       1.799053  
1 1 1 -32 4  23 o 22.02884 0.6870987 4.859172       0.3020296 5.323520       0.4337912 4.422272       0.4207750 2.044262       1.374197  
1 1 1 -32 4  24 o 63.41637 0.7927024 40.32734       1.005399  40.27958       1.424115  40.37481       1.419592  -0.7564163E-01 1.585405  
1 1 1 -32 4  25 o 28.92775 0.6528446 8.381628       0.3775832 8.483674       0.5421882 8.285534       0.5261400 0.3407993      1.305689  
1 1 1 -32 4  26 f 49.17422 0.6987380 24.23068       0.6870989 23.67924       0.9639836 24.80016       0.9796141 -1.137928      1.397476  
1 1 1 -32 4  27 f 8.780317 1.409995  0.8009067      0.2448147 1.068354       0.3594152 0.5694205      0.3343793 2.717399       2.819990  
1 1 1 -32 4  28 f 42.41664 0.6709250 18.03107       0.5691522 17.93885       0.8013120 18.12495       0.8085423 -0.2185211     1.341850  
1 1 1 -32 4  29 o 25.51053 0.6983457 6.476573       0.3549168 7.295895       0.5265971 5.794613       0.4804301 2.936798       1.396691  
1 1 1 -32 4  30 o 71.56201 0.9450802 51.54064       1.341279  52.25667       1.791786  50.62800       2.022878  1.176353       1.890160  
1 1 1 -32 4  31 o 25.45416 0.9088565 6.572495       0.4351974 6.708072       0.5347772 6.306650       0.7488475 0.8223400      1.817713  
1 1 1 -32 4  32 o 71.26153 1.079621  51.20290       1.450501  51.44439       1.778961  50.72390       2.505405  0.6447906      2.159242  
1 1 1 -32 4  33 o 29.41083 0.8791486 8.645179       0.4861308 8.568718       0.5925187 8.802640       0.8502934 -0.3560143     1.758297  
1 1 1 -32 4  34 o 47.57310 0.9036320 23.20126       0.8174291 24.37386       1.024563  21.14768       1.355873  3.447624       1.807264  
1 1 1 -32 4  35 o 24.71029 1.054027  6.148697       0.5176721 6.186010       0.6956857 6.102402       0.7749019 0.1857567      2.108054  
1 1 1 -32 4  36 o 28.85597 0.9988920 8.386604       0.5741028 8.522677       0.7809809 8.226622       0.8468172 0.5262222      1.997784  
1 1 1 -32 4  37 o 36.87625 1.054984  13.68536       0.7774535 13.81406       1.124461  13.56749       1.076103  0.3233719      2.109969  
1 1 1 -32 4  38 o 6.245523 1.850164  -0.4015028     0.4369177 0.5618231      0.6820561 -1.071914      0.5689895 4.122853       3.700328  
1 1 1 -32 4  39 o 16.99980 1.477347  2.959601       0.4962727 2.491431       0.7123068 3.401218       0.6918129 -2.682468      2.954694  
1 1 1 -32 4  40 o 20.12436 1.264362  4.114562       0.5043249 4.295740       0.6789004 3.891473       0.7533402 1.025585       2.528723  
1 1 1 -32 4  41 o 24.03993 1.150558  5.711745       0.5475137 4.943230       0.7165277 6.790094       0.8487620 -3.805460      2.301115  
1 1 1 -32 4  42 o 15.59532 1.318167  2.336363       0.3848657 2.128690       0.4600478 2.820616       0.7025042 -2.138717      2.636334  
1 1 1 -32 4  43 o 9.567347 1.768344  1.047530       0.3702042 1.373597       0.4463177 0.3284782      0.6627818 4.155562       3.536687  
1 1 1 -32 4  44 o 10.47273 2.481128  1.164106       0.5123680 1.164106       0.5123680 ?              ?         ?              ?         
1 1 1 -32 4  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 5  1  o 15.43221 1.772071  2.399605       0.5469392 2.399605       0.5469392 ?              ?         ?              ?         
1 1 1 -32 5  2  o 28.16455 0.5540980 7.942962       0.3120765 8.128247       0.4436926 7.761550       0.4390301 0.6505604      1.108196  
1 1 1 -32 5  3  o 11.49529 0.7792734 1.332305       0.1777952 1.515793       0.2508511 1.147082       0.2520338 1.603895       1.558547  
1 1 1 -32 5  4  f 31.94233 0.5648320 10.20540       0.3606224 9.850270       0.4996962 10.59141       0.5209626 -1.158245      1.129664  
1 1 1 -32 5  5  o 17.80349 0.6186408 3.163856       0.2198920 2.948147       0.3012165 3.409971       0.3217463 -1.295071      1.237282  
1 1 1 -32 5  6  o 21.57779 0.5847105 4.658751       0.2522245 4.491456       0.3510723 4.837219       0.3626058 -0.8001919     1.169421  
1 1 1 -32 5  7  o 21.57090 0.5908570 4.660665       0.2548413 4.779828       0.3602802 4.541343       0.3605199 0.5528126      1.181714  
1 1 1 -32 5  8  o 23.04029 0.5842881 5.306137       0.2687731 5.769257       0.3885987 4.881416       0.3721404 1.925301       1.168576  
1 1 1 -32 5  9  o 13.88844 0.7363883 1.933728       0.2044342 1.856172       0.2886032 2.011835       0.2896268 -0.5602951     1.472777  
1 1 1 -32 5  10 o 21.39654 0.6105688 4.562264       0.2601562 4.004513       0.3555350 5.205091       0.3816887 -2.803213      1.221138  
1 1 1 -32 5  11 o 59.23808 0.7400811 35.16953       0.8768008 35.41127       1.244878  34.93156       1.235146  0.4038467      1.480162  
1 1 1 -32 5  12 o 44.81765 0.6389342 20.10842       0.5725198 19.67214       0.7971781 20.57315       0.8227583 -1.002796      1.277868  
1 1 1 -32 5  13 f 42.63348 0.6295733 18.20445       0.5367876 18.33721       0.7640952 18.07510       0.7542650 0.3064880      1.259147  
1 1 1 -32 5  14 o 85.02834 0.9690993 72.57435       1.647951  73.06142       2.343488  72.09789       2.317833  0.5629578      1.938199  
1 1 1 -32 5  15 o 48.39762 0.6673007 23.46569       0.6459053 23.31627       0.9105178 23.61705       0.9164066 -0.3101616     1.334601  
1 1 1 -32 5  16 f 53.21422 0.7037945 28.37316       0.7490036 28.11769       1.053181  28.63461       1.065428  -0.4844360     1.407589  
1 1 1 -32 5  17 o 43.94437 0.6456837 19.34361       0.5674630 19.11499       0.7999496 19.57518       0.8051031 -0.5231056     1.291367  
1 1 1 -32 5  18 o 22.52110 0.6504329 5.080719       0.2929621 5.104888       0.4160863 5.056957       0.4125582 0.1060791      1.300866  
1 1 1 -32 5  19 o 66.72833 1.124630  44.75167       1.500616  45.20998       2.146892  44.31384       2.098325  0.6634521      2.249260  
1 1 1 -32 5  20 o 25.62079 0.6391363 6.580876       0.3271922 6.281634       0.4643410 6.875977       0.4611151 -1.160187      1.278273  
1 1 1 -32 5  21 o 26.83620 0.6350453 7.153333       0.3392830 8.147600       0.5053501 6.337360       0.4578032 3.368242       1.270091  
1 1 1 -32 5  22 o 30.96408 0.6303236 9.605262       0.3901132 9.177579       0.5493266 10.04043       0.5541112 -1.392845      1.260647  
1 1 1 -32 5  23 o 60.24594 0.7688494 36.36203       0.9259669 35.47943       1.285639  37.31338       1.334773  -1.516140      1.537699  
1 1 1 -32 5  24 f 13.01415 0.9495994 1.702488       0.2445623 2.039195       0.3532735 1.392622       0.3389007 2.481939       1.899199  
1 1 1 -32 5  25 o 54.93228 0.7346556 30.23886       0.8069477 29.53979       1.127442  30.97311       1.155467  -1.301189      1.469311  
1 1 1 -32 5  26 o 31.02085 0.6506838 9.504596       0.4007833 10.97576       0.6113664 8.395902       0.5307341 4.149267       1.301368  
1 1 1 -32 5  27 o 17.65029 0.8057762 3.129853       0.2838998 2.915756       0.4023638 3.342111       0.4006318 -1.208029      1.611552  
1 1 1 -32 5  28 o 35.18644 0.6584103 12.40626       0.4631838 12.45692       0.6643968 12.35835       0.6460693 0.1379471      1.316821  
1 1 1 -32 5  29 o 21.13317 0.7469045 4.474884       0.3154873 4.575905       0.4561083 4.382216       0.4368474 0.4557209      1.493809  
1 1 1 -32 5  30 o 21.13172 0.7481509 4.394939       0.3118685 5.574944       0.4750043 3.500866       0.4134683 4.899410       1.496302  
1 1 1 -32 5  31 o 71.04204 0.8677865 50.65919       1.232911  50.93067       1.755093  50.39472       1.732328  0.3736725      1.735573  
1 1 1 -32 5  32 o 6.932049 1.604960  0.4685616      0.2568665 0.5082176      0.3578480 0.4264107      0.3689336 0.3855715      3.209921  
1 1 1 -32 5  33 o 64.49757 0.8210288 41.73006       1.058753  42.57151       1.520872  40.93882       1.474796  1.258457       1.642058  
1 1 1 -32 5  34 o 45.12445 0.9559317 20.53370       0.8380680 20.17712       1.350512  20.75702       1.068743  -0.6953659     1.911863  
1 1 1 -32 5  35 f 43.38264 0.7084552 18.87831       0.6145485 18.51458       0.8722965 19.23675       0.8659441 -0.8332291     1.416910  
1 1 1 -32 5  36 f 21.74254 0.8118871 4.745178       0.3529699 4.606657       0.4964565 4.886775       0.5019383 -0.6432457     1.623774  
1 1 1 -32 5  37 o 37.43253 0.6958580 14.05481       0.5209432 13.95130       0.7368681 14.15823       0.7365817 -0.2764473     1.391716  
1 1 1 -32 5  38 o 23.60541 0.7945611 5.594176       0.3751092 5.597393       0.5324634 5.591005       0.5285274 0.1283646E-01  1.589122  
1 1 1 -32 5  39 f 38.69323 0.7129355 14.99681       0.5512783 15.61786       0.7990876 14.43280       0.7615188 1.525402       1.425871  
1 1 1 -32 5  40 o 56.81937 0.7900049 32.39196       0.8973622 31.63422       1.246779  33.20640       1.292583  -1.375160      1.580010  
1 1 1 -32 5  41 o 7.901303 1.526749  0.5567459      0.2983758 -0.2696361E-01 0.4139341 1.188072       0.4304868 -5.483937      3.053498  
1 1 1 -32 5  42 o 28.39564 0.7696412 8.113596       0.4360582 7.530859       0.6200177 8.683949       0.6133946 -2.031689      1.539282  
1 1 1 -32 5  43 o 16.37620 1.041120  2.694688       0.3402906 2.950155       0.4942717 2.464487       0.4691943 1.476471       2.082241  
1 1 1 -32 5  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 6  1  o 34.76965 0.9357399 12.14257       0.6506444 12.32534       0.9195896 11.95937       0.9207119 0.5264626      1.871480  
1 1 1 -32 6  2  o 35.41074 0.9345449 12.59173       0.6618223 12.77893       0.9397643 12.40754       0.9321976 0.5231895      1.869090  
1 1 1 -32 6  3  o 21.11486 0.5543112 4.456522       0.2335738 4.058513       0.3233868 4.890609       0.3377261 -1.969070      1.108622  
1 1 1 -32 6  4  o 18.07754 0.5786588 3.258495       0.2079854 2.792540       0.2847248 3.791583       0.3045462 -2.761353      1.157318  
1 1 1 -32 6  5  o 34.70367 0.5701850 12.04571       0.3954950 11.59956       0.5477630 12.53159       0.5716287 -1.340675      1.140370  
1 1 1 -32 6  6  o 32.58727 0.6391376 10.77680       0.4099202 9.701034       0.6186951 11.61855       0.5472811 -2.949150      1.278275  
1 1 1 -32 6  7  f 26.32382 0.5622352 6.936434       0.2959513 7.089345       0.4231644 6.790033       0.4140608 0.5677376      1.124470  
1 1 1 -32 6  8  o 41.49690 0.6123873 17.24647       0.5082299 17.38241       0.7218972 17.11289       0.7156348 0.3241730      1.224775  
1 1 1 -32 6  9  o 5.476171 1.247346  0.2850791      0.1621706 0.4042797      0.2236169 0.1528340      0.2355348 1.538607       2.494692  
1 1 1 -32 6  10 o 17.85087 0.6346089 3.189664       0.2256167 3.600686       0.3250804 2.807694       0.3133814 2.220062       1.269218  
1 1 1 -32 6  11 o 35.49417 0.5910296 12.59520       0.4191998 11.98277       0.5795960 13.26699       0.6070313 -1.806667      1.182059  
1 1 1 -32 6  12 o 35.63946 0.5967413 12.71066       0.4251837 12.33826       0.5915580 13.10864       0.6115410 -1.079041      1.193483  
1 1 1 -32 6  13 o 80.31153 0.9263710 64.52190       1.484409  61.89736       2.016629  67.62555       2.192985  -3.542206      1.852742  
1 1 1 -32 6  14 o 13.00558 0.8072550 1.693136       0.2092925 1.510689       0.2897897 1.892062       0.3025940 -1.464676      1.614510  
1 1 1 -32 6  15 o 78.88313 0.9939501 62.27215       1.545005  61.28833       2.011800  63.68661       2.412246  -1.461723      1.987900  
1 1 1 -32 6  16 o 32.63231 0.7708930 10.67522       0.5030971 10.54578       0.7108415 10.80513       0.7121337 -0.3972244     1.541786  
1 1 1 -32 6  17 o 46.16313 0.6642992 21.27065       0.6121030 20.08312       0.8342986 22.65508       0.9008114 -2.779194      1.328598  
1 1 1 -32 6  18 o 21.09059 0.6561321 4.435380       0.2753284 5.120100       0.4034074 3.838294       0.3767087 3.036209       1.312264  
1 1 1 -32 6  19 o 11.51113 0.9480170 1.333647       0.2171826 1.176879       0.3060443 1.492686       0.3082528 -1.371431      1.896034  
1 1 1 -32 6  20 o 25.94658 0.6339685 6.717923       0.3273490 5.829482       0.4491153 7.724858       0.4781285 -3.649660      1.267937  
1 1 1 -32 6  21 o 54.49898 0.7216694 29.76954       0.7866049 29.77642       1.112638  29.76266       1.112217  0.1256943E-01  1.443339  
1 1 1 -32 6  22 o 54.66312 0.7254708 29.95155       0.7931300 29.94364       1.121506  29.95946       1.121804  -0.1443481E-01 1.450942  
1 1 1 -32 6  23 o 24.57913 0.6581112 6.048046       0.3233697 6.253064       0.4656721 5.857115       0.4493901 0.8037014      1.316222  
1 1 1 -32 6  24 o 70.64102 0.8544399 49.98154       1.205711  48.25011       1.656112  51.93431       1.758781  -2.592903      1.708880  
1 1 1 -32 6  25 o 58.01601 0.7580778 33.66653       0.8780788 35.17416       1.289024  32.36126       1.199397  2.412518       1.516156  
1 1 1 -32 6  26 o 43.02736 0.6690029 18.54109       0.5753387 18.91221       0.8316172 18.20039       0.7968026 0.8230934      1.338006  
1 1 1 -32 6  27 o 37.83966 0.6548705 14.35287       0.4954619 14.03240       0.7030369 14.66909       0.6983641 -0.8418312     1.309741  
1 1 1 -32 6  28 o 16.32787 0.8445444 2.667378       0.2753696 2.859539       0.4020207 2.497534       0.3779553 1.104966       1.689089  
1 1 1 -32 6  29 o 19.50417 0.7786347 3.826818       0.3012767 3.231674       0.4216048 4.447855       0.4306792 -3.116507      1.557269  
1 1 1 -32 6  30 o 23.91584 0.7119125 5.728656       0.3400490 5.837545       0.4959893 5.632078       0.4671127 0.4258862      1.423825  
1 1 1 -32 6  31 o 14.88768 0.9216349 2.227176       0.2742984 2.172268       0.3902545 2.280788       0.3856201 -0.3652430     1.843270  
1 1 1 -32 6  32 o 35.39161 0.6776097 12.56028       0.4794836 12.35264       0.6828930 12.76219       0.6733912 -0.5798149     1.355219  
1 1 1 -32 6  33 o 27.47513 0.7057382 7.576548       0.3872541 7.424283       0.5594661 7.716607       0.5365710 -0.5351543     1.411476  
1 1 1 -32 6  34 o 24.15714 0.7402039 5.823031       0.3566767 6.326120       0.5276222 5.399644       0.4840268 1.911163       1.480408  
1 1 1 -32 6  35 o 23.76555 1.268594  5.733362       0.5981661 5.391527       0.8877261 6.017634       0.8095391 -1.337410      2.537188  
1 1 1 -32 6  36 o 34.52494 0.7086874 11.93008       0.4885302 12.39954       0.7163855 11.52198       0.6679289 1.263401       1.417375  
1 1 1 -32 6  37 o 19.24394 0.9201804 3.770425       0.3478917 3.430042       0.5302066 4.027753       0.4610059 -1.567041      1.840361  
1 1 1 -32 6  38 o 41.16792 0.8376220 16.92285       0.6597341 17.36169       1.114855  16.68635       0.8184177 0.7659454      1.675244  
1 1 1 -32 6  39 o 44.96757 0.8628995 20.48813       0.7488373 19.64757       1.219035  20.99754       0.9489973 -1.553257      1.725799  
1 1 1 -32 6  40 o 27.01894 0.9307651 7.350728       0.5004082 7.256784       0.7435941 7.428488       0.6765200 -0.3324451     1.861530  
1 1 1 -32 6  41 o 8.463282 1.878885  0.6994442      0.3713811 1.025129       0.5267578 0.3775540      0.5236801 2.740272       3.757769  
1 1 1 -32 6  42 o 29.71996 0.9740945 8.862631       0.5780172 8.246810       0.7929581 9.560842       0.8443385 -2.198244      1.948189  
1 1 1 -32 6  43 o 22.91922 1.103952  5.288657       0.5054370 5.128286       0.6946164 5.469118       0.7368428 -0.7321148     2.207903  
1 1 1 -32 6  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 7  1  o 25.36027 1.021056  6.452498       0.5173882 6.131307       0.7141909 6.807232       0.7505576 -1.326103      2.042112  
1 1 1 -32 7  2  o 35.40520 0.9533343 12.59552       0.6748528 12.79553       0.9478564 12.38989       0.9610523 0.5750694      1.906669  
1 1 1 -32 7  3  o 43.93915 0.8276160 18.70555       0.6305878 18.07269       0.7229813 20.71778       1.289174  -2.930084      1.655232  
1 1 1 -32 7  4  o 38.80772 0.9728467 15.10673       0.7543913 14.61070       1.040045  15.65745       1.095884  -1.339329      1.945693  
1 1 1 -32 7  5  o 66.64632 1.010213  44.60832       1.251016  44.69847       2.228622  44.56684       1.511647  -0.2072144E-01 2.020425  
1 1 1 -32 7  6  f 36.68753 0.5795977 13.45879       0.4249334 12.86213       0.5873833 14.11394       0.6154951 -1.703362      1.159195  
1 1 1 -32 7  7  o 63.40962 0.7712166 40.30617       0.9778121 39.86810       1.365053  40.76784       1.401331  -0.7049675     1.542433  
1 1 1 -32 7  8  o 31.01719 0.6050596 9.674705       0.3730517 10.91144       0.5278278 8.440332       0.5273221 3.983408       1.210119  
1 1 1 -32 7  9  o 19.35824 0.6830320 3.755847       0.2642037 3.965289       0.3755695 3.550653       0.3717408 1.070547       1.366064  
1 1 1 -32 7  10 o 34.87994 1.410825  12.21886       0.9841897 12.21886       0.9841897 ?              ?         ?              ?         
1 1 1 -32 7  11 o 35.96799 0.7005218 12.96205       0.4973166 12.97900       0.7682113 12.94983       0.6524956 0.2819824E-01  1.401044  
1 1 1 -32 7  12 o 51.57703 0.6876296 26.50132       0.7067612 24.90838       0.9513819 28.46302       1.055772  -3.435036      1.375259  
1 1 1 -32 7  13 o 59.59682 0.7472905 35.50367       0.8890985 34.03349       1.213444  37.20784       1.306451  -2.652630      1.494581  
1 1 1 -32 7  14 o 74.92365 0.8795505 56.17982       1.315561  54.10697       1.795670  58.58150       1.932864  -2.967751      1.759101  
1 1 1 -32 7  15 o 26.49854 0.5980897 7.029654       0.3168967 7.235922       0.4530381 6.832037       0.4434354 0.7612171      1.196179  
1 1 1 -32 7  16 o 64.52501 0.7915866 41.67362       1.020322  40.30482       1.401786  43.21590       1.487974  -2.245338      1.583173  
1 1 1 -32 7  17 o 59.80016 0.7568727 35.81980       0.9046904 36.69696       1.306971  35.01288       1.253551  1.401848       1.513745  
1 1 1 -32 7  18 o 27.95049 0.6033593 7.814373       0.3370168 7.408700       0.4677413 8.252357       0.4860110 -1.507481      1.206719  
1 1 1 -32 7  19 f 21.86961 0.6380489 4.776304       0.2784443 5.253101       0.4055581 4.351136       0.3829713 2.059862       1.276098  
1 1 1 -32 7  20 f 37.16278 0.6221880 13.83601       0.4623703 13.78149       0.6591090 13.88884       0.6487936 -0.1454620     1.244376  
1 1 1 -32 7  21 o 40.69994 0.6401888 16.59561       0.5210983 16.71612       0.7403271 16.47726       0.7336074 0.2927322      1.280378  
1 1 1 -32 7  22 o 46.72585 0.6755906 21.86300       0.6310916 22.53551       0.9082268 21.23515       0.8775596 1.387989       1.351181  
1 1 1 -32 7  23 o 49.06802 0.6891947 24.13103       0.6763278 23.87761       0.9528617 24.38832       0.9601235 -0.5195503     1.378389  
1 1 1 -32 7  24 o 36.80099 0.6305143 13.56882       0.4640084 13.62092       0.6622254 13.51857       0.6503496 0.1377563      1.261029  
1 1 1 -32 7  25 o 27.10424 0.6433829 7.363397       0.3486728 7.195303       0.4944772 7.529629       0.4917300 -0.6170483     1.286766  
1 1 1 -32 7  26 o 40.87558 0.6606287 16.73257       0.5398043 16.01854       0.7532338 17.48648       0.7739865 -1.793209      1.321257  
1 1 1 -32 7  27 o 45.69052 0.6843022 20.92845       0.6251739 20.74110       0.8914902 21.10973       0.8769479 -0.4051590     1.368604  
1 1 1 -32 7  28 o 49.91229 0.7130137 24.97621       0.7116730 24.45917       1.004230  25.49786       1.008700  -1.039948      1.426027  
1 1 1 -32 7  29 o 67.74902 0.8449843 46.04125       1.144258  46.73893       1.651696  45.39738       1.586709  0.9802322      1.689969  
1 1 1 -32 7  30 f 33.45608 0.7607864 11.10432       0.4889328 11.66160       0.8232330 10.80062       0.6077281 1.256737       1.521573  
1 1 1 -32 7  31 o 35.18684 0.7708415 12.48554       0.5267425 12.14380       0.8475767 12.70058       0.6723466 -0.8166466     1.541683  
1 1 1 -32 7  32 o 22.85715 0.9133465 5.249927       0.4174075 5.388494       0.5897130 5.110805       0.5908954 0.6076584      1.826693  
1 1 1 -32 7  33 o 8.171362 1.686616  0.6910191      0.3057077 0.9252513      0.4155022 0.4145685      0.4513970 2.391598       3.373233  
1 1 1 -32 7  34 o 9.763132 1.679239  1.003274       0.3246537 0.9455239      0.4433516 1.070044       0.4767216 -0.5992279     3.358477  
1 1 1 -32 7  35 o 33.34060 0.8961049 11.12148       0.5962154 12.06994       0.8768792 10.30601       0.8130822 2.632950       1.792210  
1 1 1 -32 7  36 o 34.60430 0.9094262 12.03449       0.6293134 11.76385       0.8831352 12.31368       0.8969939 -0.7916451     1.818852  
1 1 1 -32 7  37 o 76.35968 1.287204  58.74574       1.961259  61.22964       2.894085  56.63621       2.667080  2.943367       2.574407  
1 1 1 -32 7  38 o 19.77798 0.9942482 3.975610       0.3868994 4.189931       0.5119629 3.690220       0.5907785 1.280764       1.988496  
1 1 1 -32 7  39 o 43.97257 0.8480245 19.43506       0.7245521 19.45968       0.9217972 19.39525       1.172036  0.1223297      1.696049  
1 1 1 -32 7  40 o 5.712418 1.649483  0.1121317      0.2876757 0.4789004E-01  0.3588514 0.2276643      0.4812368 -1.318893      3.298965  
1 1 1 -32 7  41 o 21.54402 0.8704863 4.670080       0.3747188 4.885796       0.5285873 4.452154       0.5312878 1.007000       1.740973  
1 1 1 -32 7  42 o 27.35647 0.7897209 7.514914       0.4318004 7.887755       0.6152902 7.153094       0.6061289 1.340990       1.579442  
1 1 1 -32 7  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 8  1  o 19.56915 1.212557  3.834618       0.4719640 3.308608       0.6431271 4.448507       0.6947770 -2.901461      2.425114  
1 1 1 -32 8  2  o 21.91916 1.125829  4.838232       0.4931758 5.014656       0.6940579 4.658309       0.7009043 0.8142262      2.251659  
1 1 1 -32 8  3  o 27.63842 1.018805  7.670862       0.5623094 8.281136       0.8081713 7.098180       0.7828829 2.135523       2.037610  
1 1 1 -32 8  4  o 39.95100 0.9856187 16.01889       0.7869501 15.55816       1.087686  16.52500       1.139987  -1.200977      1.971237  
1 1 1 -32 8  5  o 55.14063 1.077784  30.57051       1.188271  30.21850       1.657685  30.94255       1.704217  -0.6477814     2.155569  
1 1 1 -32 8  6  o 51.00437 1.050641  26.15534       1.071588  26.74494       1.519166  25.57148       1.511769  1.149010       2.101282  
1 1 1 -32 8  7  o 40.50571 0.9826412 16.47222       0.7956439 17.23029       1.140471  15.75340       1.110546  1.818050       1.965282  
1 1 1 -32 8  8  o 31.20673 0.9880144 9.729950       0.6149049 8.881164       0.8360459 10.73016       0.9075634 -2.950611      1.976029  
1 1 1 -32 8  9  o 27.57306 0.7923380 7.195132       0.3605599 8.399717       0.8011190 6.889145       0.4037656 2.688234       1.584676  
1 1 1 -32 8  10 o 33.14240 0.5685630 10.99965       0.3768515 10.85446       0.5302249 11.14787       0.5357145 -0.4421425     1.137126  
1 1 1 -32 8  11 f 54.42999 0.7036557 29.66198       0.7654914 28.84891       1.059219  30.55091       1.107533  -1.557938      1.407311  
1 1 1 -32 8  12 o 9.446007 0.8653254 0.8968956      0.1631271 0.9254562      0.2257613 0.8656934      0.2359704 0.3177671      1.730651  
1 1 1 -32 8  13 o 37.94292 0.6050324 14.39799       0.4587693 13.73360       0.6347609 15.12459       0.6638089 -1.830158      1.210065  
1 1 1 -32 8  14 o 36.74133 0.6001577 13.50452       0.4407095 13.98906       0.6378092 13.06181       0.6096583 1.259140       1.200315  
1 1 1 -32 8  15 o 16.62434 0.6701861 2.773328       0.2212568 2.360546       0.3084727 3.210713       0.3175327 -2.556019      1.340372  
1 1 1 -32 8  16 o 15.71704 0.6877435 2.476551       0.2161047 2.415694       0.3070114 2.536315       0.3042438 -0.3840332     1.375487  
1 1 1 -32 8  17 o 17.64733 0.6649032 3.119043       0.2344918 2.949868       0.3278217 3.296296       0.3355565 -0.9806862     1.329806  
1 1 1 -32 8  18 f 10.47052 0.9388908 1.110354       0.1941724 1.306862       0.2740946 0.9123862      0.2751106 1.883903       1.877782  
1 1 1 -32 8  19 f 14.04388 0.7698389 1.978675       0.2160197 2.087425       0.3064504 1.871266       0.3045546 0.7693357      1.539678  
1 1 1 -32 8  20 o 39.41970 0.6325007 15.52594       0.4979667 16.52626       0.7267494 14.64065       0.6836845 2.387051       1.265001  
1 1 1 -32 8  21 o 37.94562 0.6282251 14.37549       0.4758779 15.30740       0.6993187 13.57179       0.6494328 2.281551       1.256450  
1 1 1 -32 8  22 f 25.96844 0.6311891 6.735538       0.3272985 7.182990       0.4790486 6.343811       0.4482270 1.612366       1.262378  
1 1 1 -32 8  23 o 40.42658 0.6508746 16.37831       0.5262038 16.10975       0.7437428 16.64749       0.7445870 -0.6649857     1.301749  
1 1 1 -32 8  24 o 29.44654 0.6345027 8.688272       0.3735813 8.693219       0.5345107 8.683548       0.5223468 0.1506042E-01  1.269005  
1 1 1 -32 8  25 o 38.23852 0.7459623 14.41892       0.5460881 15.49183       0.9311295 13.85640       0.6742126 2.104828       1.491925  
1 1 1 -32 8  26 o 54.77914 0.9286703 30.21507       1.009570  29.47298       1.515004  30.80783       1.354017  -1.244740      1.857341  
1 1 1 -32 8  27 o 23.04010 0.8432101 5.325606       0.3884138 5.261817       0.5408621 5.393539       0.5581457 -0.2832584     1.686420  
1 1 1 -32 8  28 o 47.19059 0.9208809 22.33980       0.8683209 22.94941       1.261365  21.79070       1.197134  1.216972       1.841762  
1 1 1 -32 8  29 o 17.38399 0.9998166 3.071243       0.3414664 3.741588       0.4839807 2.406818       0.4818392 3.838688       1.999633  
1 1 1 -32 8  30 f 42.06801 0.8869104 17.75119       0.7455842 18.28265       1.081752  17.27024       1.029052  1.194317       1.773821  
1 1 1 -32 8  31 o 9.853270 1.402596  1.038890       0.2652826 1.196829       0.3466240 0.8155785      0.4121629 2.096550       2.805192  
1 1 1 -32 8  32 o 19.19661 0.8159881 3.706884       0.3118143 4.150474       0.4434966 3.273253       0.4384899 2.284019       1.631976  
1 1 1 -32 8  33 o 21.67764 0.7522602 4.724339       0.3254545 4.450943       0.4655654 4.985621       0.4551361 -1.234846      1.504520  
1 1 1 -32 8  34 o 20.10166 0.8001796 4.029593       0.3205687 4.504971       0.4749252 3.631744       0.4344756 2.165016       1.600359  
1 1 1 -32 8  35 o 21.57286 0.7876843 4.667616       0.3392543 4.745493       0.4964307 4.599377       0.4646960 0.3330688      1.575369  
1 1 1 -32 8  36 f 43.13801 1.104638  18.54421       0.9474106 20.75809       1.437772  16.84521       1.259532  4.491882       2.209276  
1 1 1 -32 8  37 o 21.50065 0.8014731 4.618256       0.3437071 4.971117       0.5094216 4.323403       0.4656702 1.498407       1.602946  
1 1 1 -32 8  38 o 66.57869 0.8552881 44.46046       1.137439  46.06100       1.660101  43.04427       1.561579  2.246010       1.710576  
1 1 1 -32 8  39 o 6.989098 1.665816  0.4661761      0.2765210 0.4234165      0.3934040 0.5079316      0.3887570 -0.3957977     3.331631  
1 1 1 -32 8  40 o 43.59676 0.7340267 19.05840       0.6393780 19.53587       0.9294145 18.62942       0.8809637 1.030598       1.468053  
1 1 1 -32 8  41 o 33.36369 0.7287903 11.17422       0.4861394 10.82655       0.6867644 11.52339       0.6882477 -1.044033      1.457581  
1 1 1 -32 8  42 o 22.87826 1.456998  0.000000       0.000000  ?              ?         5.273313       0.6666716 ?              ?         
1 1 1 -32 9  1  o 18.20995 1.310922  3.345544       0.4769678 3.156098       0.6706690 3.539421       0.6784672 -1.050669      2.621844  
1 1 1 -32 9  2  o 27.37640 1.060771  7.533435       0.5803265 7.451090       0.8027291 7.623592       0.8399465 -0.3080349     2.121543  
1 1 1 -32 9  3  o 18.66814 1.261595  3.511087       0.4692767 3.117053       0.6530706 3.931749       0.6747764 -2.177223      2.523190  
1 1 1 -32 9  4  o 22.82937 1.118050  5.246057       0.5098522 5.281274       0.7050303 5.207449       0.7381923 0.1682262      2.236101  
1 1 1 -32 9  5  o 36.13047 0.9912819 13.07424       0.7150068 14.17649       1.044033  12.10061       0.9812310 2.861801       1.982564  
1 1 1 -32 9  6  o 9.191616 1.861451  0.8037015      0.4006372 0.2295023      0.5550049 1.428462       0.5789250 -4.884862      3.722902  
1 1 1 -32 9  7  o 24.12796 1.081882  5.847174       0.5211148 5.367795       0.7234267 6.364202       0.7512985 -2.059544      2.163764  
1 1 1 -32 9  8  o 13.97980 1.643908  2.096441       0.4261675 1.192301       0.5981815 3.028373       0.6073056 -6.713273      3.287817  
1 1 1 -32 9  9  f 19.04295 1.237687  3.658689       0.4678310 4.254792       0.6719617 3.097946       0.6517281 3.033129       2.475375  
1 1 1 -32 9  10 o 43.20028 0.8422890 18.53200       0.6373255 18.32593       0.7383305 19.13437       1.262367  -0.8611832     1.684578  
1 1 1 -32 9  11 o 17.21630 1.329917  2.987872       0.4577884 3.077630       0.6565420 2.902941       0.6386499 0.5032215      2.659833  
1 1 1 -32 9  12 o 58.26770 1.127423  34.15232       1.313414  33.82074       1.830516  34.50416       1.885603  -0.5757408     2.254845  
1 1 1 -32 9  13 o 21.45409 0.9228768 4.659413       0.3125107 4.560461       0.7069138 4.683449       0.3484044 -0.3402557     1.845754  
1 1 1 -32 9  14 o 37.28666 0.5999848 13.91989       0.4473096 14.30561       0.6411278 13.55406       0.6243870 1.006081       1.199970  
1 1 1 -32 9  15 o 23.70339 0.5847115 5.622699       0.2767853 5.208359       0.3854939 6.063595       0.3976563 -1.802814      1.169423  
1 1 1 -32 9  16 o 20.80680 0.6050555 4.329472       0.2515643 4.562725       0.3643464 4.116966       0.3477640 1.069450       1.210111  
1 1 1 -32 9  17 o 20.31018 0.6162200 4.101928       0.2486732 4.826758       0.3679434 3.492465       0.3373933 3.281528       1.232440  
1 1 1 -32 9  18 o 11.72694 0.8476885 1.381437       0.1985712 1.307016       0.2815080 1.455137       0.2801411 -0.6317444     1.695377  
1 1 1 -32 9  19 o 17.34976 0.6778951 3.016345       0.2351842 3.049892       0.3364449 2.984289       0.3288853 0.1881618      1.355790  
1 1 1 -32 9  20 o 22.22113 0.6304805 4.944298       0.2800832 5.057411       0.4032767 4.838897       0.3892885 0.4901295      1.260961  
1 1 1 -32 9  21 o 35.32423 0.7033457 12.35022       0.4795989 13.10479       0.8000439 11.92696       0.5991988 1.642395       1.406691  
1 1 1 -32 9  22 o 21.66229 0.7625946 4.705673       0.3303260 4.729522       0.4723709 4.682849       0.4621015 0.1063499      1.525189  
1 1 1 -32 9  23 o 39.03156 0.8325096 15.23120       0.6482697 16.06303       0.9588621 14.53087       0.8798136 1.951099       1.665019  
1 1 1 -32 9  24 o 27.18348 0.7883586 7.382825       0.4276559 8.081392       0.6262042 6.772237       0.5854447 2.402319       1.576717  
1 1 1 -32 9  25 o 37.04692 0.8259139 13.77396       0.6118021 13.66367       0.8728334 13.88049       0.8578002 -0.2948341     1.651828  
1 1 1 -32 9  26 o 40.89291 0.7622209 16.72372       0.6050133 16.57419       0.7664774 16.97087       0.9854392 -0.4551048     1.524442  
1 1 1 -32 9  27 o 29.39895 0.6764185 8.667193       0.3975540 8.869299       0.5589665 8.460305       0.5655435 0.6964111      1.352837  
1 1 1 -32 9  28 o 34.87830 0.6565914 12.19279       0.4577658 11.66041       0.6436797 12.73759       0.6511422 -1.543274      1.313183  
1 1 1 -32 9  29 o 16.97059 0.8198087 2.883757       0.2776842 3.156925       0.4027123 2.636150       0.3834082 1.531261       1.639617  
1 1 1 -32 9  30 o 32.42281 0.6669998 10.53242       0.4321274 9.918369       0.6036700 11.17774       0.6188537 -1.940100      1.334000  
1 1 1 -32 9  31 o 31.65505 0.6736532 10.01094       0.4252132 10.48226       0.6312398 9.619410       0.5753264 1.355354       1.347306  
1 1 1 -32 9  32 o 16.96618 0.8633998 2.898122       0.2922215 2.751642       0.4213534 3.033868       0.4056225 -0.8345337     1.726800  
1 1 1 -32 9  33 o 31.00505 0.6809521 9.519106       0.4195789 10.89849       0.6366919 8.460214       0.5578436 3.920280       1.361904  
1 1 1 -32 9  34 o 9.299626 1.383202  0.9143929      0.2578875 1.355925       0.3669875 0.4836629      0.3624705 4.598110       2.766405  
1 1 1 -32 9  35 o 19.51626 0.8374754 3.800582       0.3252424 4.383041       0.4798869 3.305726       0.4423297 2.753134       1.674951  
1 1 1 -32 9  36 o 26.51900 0.7343468 7.027265       0.3886233 7.522266       0.5731208 6.605943       0.5287495 1.720356       1.468694  
1 1 1 -32 9  37 o 54.76475 0.7744459 29.89184       0.8441529 32.29000       1.272332  28.00611       1.128239  3.885288       1.548892  
1 1 1 -32 9  38 o 39.39352 0.7213719 15.56447       0.5675052 15.74164       0.8274286 15.40711       0.7798318 0.4162636      1.442744  
1 1 1 -32 9  39 o 39.32238 0.7212867 15.50266       0.5667839 15.92717       0.8220763 15.11805       0.7824948 1.021614       1.442573  
1 1 1 -32 9  40 o 35.61100 0.7276201 12.73254       0.5180112 12.35150       0.7342388 13.11015       0.7309294 -1.065781      1.455240  
1 1 1 -32 9  41 o 34.61014 0.9533749 12.07211       0.6589687 11.55090       0.9430277 12.56947       0.9212006 -1.476643      1.906750  
1 1 1 -32 10 1  f 20.31848 1.258082  4.121813       0.5085492 3.631717       0.6830946 4.731199       0.7617041 -2.686934      2.516163  
1 1 1 -32 10 2  o 46.43819 1.043789  21.69212       0.9690996 21.87418       1.356264  21.50220       1.385222  0.4060936      2.087577  
1 1 1 -32 10 3  f 24.36223 1.141390  5.965937       0.5556750 5.656593       0.7702079 6.301739       0.8024710 -1.317396      2.282780  
1 1 1 -32 10 4  o 53.71964 1.088481  29.03377       1.169289  29.22366       1.643103  28.83893       1.664350  0.3622246      2.176962  
1 1 1 -32 10 5  o 28.57018 1.058293  8.212044       0.6043757 8.342173       0.8450294 8.075772       0.8647442 0.4699230      2.116586  
1 1 1 -32 10 6  o 34.65826 1.020581  12.07340       0.7068052 12.76633       1.007489  11.40183       0.9918414 1.965679       2.041162  
1 1 1 -32 10 7  o 32.78803 1.042620  10.70073       0.6802624 9.641419       0.9099076 12.04310       1.024291  -3.641388      2.085241  
1 1 1 -32 10 8  o 24.38923 1.128491  5.992586       0.5484970 6.641172       0.7820717 5.364741       0.7694658 2.614294       2.256983  
1 1 1 -32 10 9  f 24.20376 1.108227  5.871023       0.5343071 6.662795       0.7803516 5.172218       0.7331077 3.070019       2.216454  
1 1 1 -32 10 10 o 11.04610 1.935277  1.295018       0.4297684 1.026854       0.6101816 1.559008       0.6054150 -2.230115      3.870553  
1 1 1 -32 10 11 o 14.44577 1.532019  2.109022       0.4422111 2.159641       0.6420926 2.063350       0.6099096 0.3245974      3.064039  
1 1 1 -32 10 12 o 21.89104 0.9686312 5.224135       0.3093323 5.439291       0.3410459 4.225995       0.7345681 2.831430       1.937262  
1 1 1 -32 10 13 o 15.26126 0.6325901 2.362099       0.1896522 1.855812       0.2685202 2.866043       0.2678984 -3.309857      1.265180  
1 1 1 -32 10 14 o 36.66506 0.8330293 13.20333       0.5254176 12.93763       0.6018787 14.05430       1.077145  -1.455021      1.666059  
1 1 1 -32 10 15 o 27.61506 0.8698467 7.879857       0.4016038 8.076644       0.4594887 7.243095       0.8265424 1.562462       1.739693  
1 1 1 -32 10 16 o 30.28829 1.048071  9.223167       0.6348367 9.064384       0.8934838 9.385054       0.9021686 -0.5277596     2.096141  
1 1 1 -32 10 17 o 14.93492 1.515154  2.257169       0.4522901 2.216228       0.6474233 2.296198       0.6321209 -0.2718143     3.030308  
1 1 1 -32 10 18 o 40.93536 0.8980849 0.000000       0.000000  ?              ?         16.79073       0.7352685 ?              ?         
1 1 1 -32 10 19 o 38.28342 1.103208  0.000000       0.000000  ?              ?         14.70069       0.8446916 ?              ?         
1 1 1 -32 10 20 o 9.413167 1.199637  0.9359569      0.2158983 1.153571       0.2966387 0.6908422      0.3148248 2.603367       2.399275  
1 1 1 -32 10 21 o 17.42374 0.7941937 3.040559       0.2762269 2.785660       0.3830342 3.316772       0.3987259 -1.521904      1.588387  
1 1 1 -32 10 22 o 16.65127 0.7592554 2.711309       0.2496748 2.286258       0.3249970 3.323444       0.3900163 -3.105672      1.518511  
1 1 1 -32 10 23 o 15.24050 0.7655286 2.330734       0.2331984 2.241865       0.3303066 2.419053       0.3292805 -0.5814457     1.531057  
1 1 1 -32 10 24 o 27.99450 0.6307325 7.831542       0.3524957 8.525312       0.5123754 7.208126       0.4857020 2.349527       1.261465  
1 1 1 -32 10 25 o 20.16666 0.6991734 4.063766       0.2809735 4.583185       0.4093407 3.601016       0.3863668 2.432163       1.398347  
1 1 1 -32 10 26 o 36.08967 0.6473900 13.04579       0.4669692 13.26492       0.6749918 12.84464       0.6467043 0.5788116      1.294780  
1 1 1 -32 10 27 o 59.67468 0.7780038 35.72041       0.9284037 35.22798       1.299268  36.23415       1.327097  -0.8388367     1.556008  
1 1 1 -32 10 28 o 27.20699 0.6698729 7.411830       0.3642049 7.635524       0.5282831 7.209205       0.5027891 0.7800865      1.339746  
1 1 1 -32 10 29 o 38.02043 0.6647741 14.47247       0.5050532 14.93254       0.7333042 14.05729       0.6966135 1.146156       1.329548  
1 1 1 -32 10 30 o 18.54686 0.7777824 3.457614       0.2879309 3.335972       0.4159143 3.569566       0.3990036 -0.6324043     1.555565  
1 1 1 -32 10 31 o 23.14654 0.7324387 5.388812       0.3378544 4.876152       0.4786499 5.897839       0.4769513 -2.207260      1.464877  
1 1 1 -32 10 32 o 29.07317 0.6889477 8.491990       0.3993310 7.686739       0.5629859 9.307353       0.5665093 -2.786591      1.377895  
1 1 1 -32 10 33 o 29.85857 0.6936620 8.947577       0.4138813 8.792264       0.5946215 9.093535       0.5764351 -0.5072956     1.387324  
1 1 1 -32 10 34 o 16.68252 0.8808807 2.810339       0.2921987 2.490988       0.4165965 3.119576       0.4099465 -1.885256      1.761761  
1 1 1 -32 10 35 o 22.14048 0.7721214 4.921856       0.3416016 4.891958       0.4927358 4.949524       0.4740037 -0.1332722     1.544243  
1 1 1 -32 10 36 o 20.15635 0.8167640 4.088693       0.3284390 3.942086       0.4762889 4.221613       0.4535132 -0.6977329     1.633528  
1 1 1 -32 10 37 o 45.18269 1.140997  20.54592       1.028784  21.35624       1.516360  19.85480       1.400390  1.629169       2.281994  
1 1 1 -32 10 38 o 43.32572 0.7279531 18.82804       0.6303146 19.19178       0.9123477 18.49590       0.8718309 0.7956390      1.455906  
1 1 1 -32 10 39 o 20.52964 0.8537583 4.228183       0.3501215 4.389318       0.5107395 4.085327       0.4808999 0.7341309      1.707517  
1 1 1 -32 10 40 o 15.83261 1.271224  2.602698       0.3840733 3.518734       0.5466257 1.709520       0.5397626 5.711506       2.542449  
1 1 1 -32 11 1  o 35.21379 1.048396  12.47662       0.7381486 12.47560       1.031653  12.47768       1.056593  0.2227783E-02  2.096792  
1 1 1 -32 11 2  o 19.76402 1.312297  3.942971       0.5184857 3.782355       0.7285392 4.107809       0.7380522 -0.8209057     2.624593  
1 1 1 -32 11 3  o 57.23395 1.134870  32.82341       1.294354  31.18113       1.742900  34.84302       1.932777  -3.157665      2.269739  
1 1 1 -32 11 4  o 47.52113 1.064686  22.67477       1.010395  21.95722       1.384058  23.49351       1.478436  -1.597511      2.129373  
1 1 1 -32 11 5  o 42.31240 1.037864  17.99592       0.8779933 18.66531       1.255383  17.35500       1.228397  1.543198       2.075729  
1 1 1 -32 11 6  o 43.96872 1.053783  19.43646       0.9264165 20.08726       1.322532  18.80948       1.298111  1.448357       2.107567  
1 1 1 -32 11 7  o 23.92265 1.180210  5.764930       0.5638888 5.377308       0.7921562 6.163107       0.8028702 -1.640099      2.360420  
1 1 1 -32 11 8  o 19.78834 1.322116  3.935035       0.5194820 4.635839       0.7596036 3.319283       0.7120197 3.315401       2.644233  
1 1 1 -32 11 9  o 35.62705 1.025688  12.75851       0.7307895 12.63126       1.025791  12.88966       1.041370  -0.3597984     2.051376  
1 1 1 -32 11 10 o 24.12302 1.146422  5.793917       0.5476086 7.078410       0.8181885 4.751622       0.7370259 4.806330       2.292844  
1 1 1 -32 11 11 o 19.66992 1.284538  3.896698       0.5040351 4.296687       0.7259194 3.524346       0.7003921 1.957457       2.569077  
1 1 1 -32 11 12 o 8.818542 1.920564  0.6548984      0.4205549 1.351762       0.6216464 0.6680281E-01  0.5710756 4.955651       3.841128  
1 1 1 -32 11 13 o 15.35478 1.539594  2.393563       0.4709619 2.176434       0.6711401 2.604216       0.6610557 -1.395730      3.079188  
1 1 1 -32 11 14 f 34.38345 1.068934  11.81433       0.7324943 10.61055       0.9945084 13.24172       1.082939  -3.809498      2.137868  
1 1 1 -32 11 15 o 21.83495 0.6002306 4.772670       0.2585711 4.798011       0.4004270 4.754547       0.3386394 0.9298134E-01  1.200461  
1 1 1 -32 11 16 o 41.23674 0.7823462 17.05869       0.6451568 16.88090       0.9159359 17.23374       0.9088840 -0.4287987     1.564692  
1 1 1 -32 11 17 o 11.82473 0.9123358 1.366142       0.2114714 1.823105       0.3275544 1.039550       0.2769146 3.305079       1.824672  
1 1 1 -32 11 18 o 23.31478 1.426424  5.463657       0.6651353 5.463657       0.6651353 ?              ?         ?              ?         
1 1 1 -32 11 19 o 34.13367 0.6899018 11.79950       0.4660870 13.19405       0.6430521 10.25604       0.6765133 4.307787       1.379804  
1 1 1 -32 11 20 o 14.29979 0.9595271 2.163766       0.2601254 2.628251       0.3448251 1.550378       0.3962604 3.777349       1.919054  
1 1 1 -32 11 21 o 20.38490 1.021288  4.423732       0.3366104 4.616457       0.3823473 3.759647       0.7097422 2.158165       2.042576  
1 1 1 -32 11 22 o 8.964527 2.097126  0.7744535      0.4374584 0.9237278      0.6504364 0.6511607      0.5911269 1.185743       4.194252  
1 1 1 -32 11 23 o 46.96617 1.090672  22.13946       1.023096  21.02282       1.403551  23.40546       1.494479  -2.517845      2.181344  
1 1 1 -32 11 24 o 29.73345 1.111602  8.893035       0.6607586 9.164670       0.9511523 8.639669       0.9186049 0.8758831      2.223204  
1 1 1 -32 11 25 o 48.12949 1.101932  23.32060       1.060704  23.41208       1.500420  23.22922       1.499703  0.1898003      2.203865  
1 1 1 -32 11 26 o 22.71870 1.094452  4.707903       0.4531553 6.420710       0.8870117 4.102983       0.5271375 5.022242       2.188904  
1 1 1 -32 11 27 o 29.82589 1.009793  9.123692       0.5581887 8.465082       0.9787162 9.441195       0.6795432 -1.695080      2.019587  
1 1 1 -32 11 28 o 53.09703 0.9550656 28.08861       0.9201540 28.94004       1.720857  27.74771       1.088891  1.003098       1.910131  
1 1 1 -32 11 29 o 38.05222 0.9369044 14.62610       0.6237091 14.40882       1.222835  14.70251       0.7251219 -0.4809113     1.873809  
1 1 1 -32 11 30 o 25.25473 1.028208  5.820985       0.4216532 7.484849       0.9772169 5.440342       0.4674022 3.933710       2.056416  
1 1 1 -32 11 31 o 10.66002 1.869414  1.138684       0.3223935 1.196297       0.7954563 1.127360       0.3526562 0.1772404      3.738829  
1 1 1 -32 11 32 o 29.12186 0.7502278 8.498569       0.4285613 8.571960       0.6768591 8.449456       0.5536829 0.1900520      1.500456  
1 1 1 -32 11 33 f 27.62397 0.7752180 7.428757       0.4153470 8.590270       0.6948810 6.783104       0.5180815 3.240423       1.550436  
1 1 1 -32 11 34 o 25.90662 0.7763841 6.593909       0.3941000 7.437872       0.6377630 6.072564       0.5012565 2.610754       1.552768  
1 1 1 -32 11 35 o 18.57839 0.9311845 3.549586       0.3359306 3.090096       0.5218993 3.874624       0.4389507 -2.129349      1.862369  
1 1 1 -32 11 36 o 9.696115 1.864878  1.118378       0.3541031 0.2665022      0.8545136 1.294990       0.3890820 -3.250217      3.729757  
1 1 1 -32 11 37 o 21.63440 1.365850  5.242009       0.4513515 3.968841       0.9893790 5.576610       0.5072055 -3.863979      2.731700  
1 1 1 -32 11 38 o 28.03157 1.148760  8.230563       0.5246722 7.405860       1.111171  8.467191       0.5952023 -2.028601      2.297521  
1 1 1 -32 11 39 o 30.57321 1.295425  0.000000       0.000000  ?              ?         9.402589       0.7921058 ?              ?         
1 1 1 -32 12 1  o 40.46700 1.058936  16.45480       0.8562755 17.40305       1.238300  15.58592       1.185348  2.233730       2.117872  
1 1 1 -32 12 2  o 44.95649 1.073375  20.34646       0.9648455 20.51896       1.352481  20.16768       1.376840  0.3959389      2.146749  
1 1 1 -32 12 3  o 12.81661 1.990524  1.759292       0.4972443 2.041258       0.6891995 1.453174       0.7181105 2.260130       3.981048  
1 1 1 -32 12 4  o 51.78902 1.106013  26.93284       1.143504  25.86132       1.560853  28.17426       1.680035  -2.206863      2.212026  
1 1 1 -32 12 5  o 47.92804 1.090809  23.10879       1.044783  22.78216       1.444973  23.46661       1.512428  -0.6995621     2.181618  
1 1 1 -32 12 6  o 26.27404 1.177472  6.923322       0.6164832 6.147717       0.8433123 7.813529       0.9034711 -3.156332      2.354944  
1 1 1 -32 12 7  o 20.88996 1.292162  4.404861       0.5391877 4.687189       0.7665446 4.128376       0.7585709 1.335545       2.584323  
1 1 1 -32 12 8  f 23.06669 1.241296  5.346277       0.5681699 4.477879       0.7795069 6.330546       0.8298843 -4.004124      2.482591  
1 1 1 -32 12 9  o 17.30085 1.491944  3.030410       0.5103315 3.657145       0.7387008 2.458172       0.7058545 3.455980       2.983889  
1 1 1 -32 12 10 o 14.89589 1.711616  2.297696       0.4911717 1.848632       0.6856195 2.771144       0.7039880 -3.305313      3.423233  
1 1 1 -32 12 11 o 21.00053 1.281656  4.389174       0.5331879 3.633547       0.7135628 5.344415       0.8022962 -4.052443      2.563313  
1 1 1 -32 12 12 o 34.08913 1.098422  11.60957       0.7459910 10.39530       1.009797  13.06846       1.106851  -3.901203      2.196844  
1 1 1 -32 12 13 o 47.11880 1.575751  0.000000       0.000000  ?              ?         22.34526       1.484950  ?              ?         
1 1 1 -32 12 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 12 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 12 16 o 36.02916 0.6493621 13.01512       0.4631378 13.04831       0.6131815 12.97104       0.7066752 0.1184464      1.298724  
1 1 1 -32 12 17 o 4.852324 1.205616  0.2101701      0.1441721 0.1621579      0.2313178 0.2406680      0.1843606 -0.2474990     2.411232  
1 1 1 -32 12 18 o 25.78380 0.5938582 6.525278       0.3031134 7.797006       0.4690643 5.613461       0.3971816 4.226320       1.187716  
1 1 1 -32 12 19 o 79.82304 0.9363317 64.01572       1.494801  64.25112       2.119903  63.78293       2.108083  0.2911758      1.872663  
1 1 1 -32 12 20 o 23.22074 0.6303974 5.366167       0.2917434 5.915522       0.4344480 4.914968       0.3937263 2.149513       1.260795  
1 1 1 -32 12 21 o 39.00097 0.6398708 15.20110       0.4982213 15.97036       0.7318310 14.53660       0.6801832 1.831673       1.279742  
1 1 1 -32 12 22 o 31.15525 0.6245445 9.651080       0.3875228 10.60857       0.5812308 8.884832       0.5199547 2.758829       1.249089  
1 1 1 -32 12 23 o 6.062549 1.362777  0.2935351      0.2035616 0.6168675      0.3109474 0.5104092E-01  0.2692855 3.214725       2.725555  
1 1 1 -32 12 24 o 19.84621 0.7117070 3.900301       0.2804619 4.375413       0.4292335 3.546343       0.3704858 2.080391       1.423414  
1 1 1 -32 12 25 o 36.82510 0.6506736 13.56016       0.4784406 14.16124       0.7014968 13.03739       0.6542098 1.519753       1.301347  
1 1 1 -32 12 26 o 52.10224 0.7298417 27.22247       0.7604161 26.66096       1.065300  27.80576       1.085774  -1.095547      1.459683  
1 1 1 -32 12 27 o 38.83203 0.6742002 15.07764       0.5225711 15.78276       0.7690907 14.47292       0.7122342 1.678349       1.348400  
1 1 1 -32 12 28 o 44.02722 0.6921030 19.44590       0.6092873 19.23347       0.8680269 19.65221       0.8554356 -0.4774895     1.384206  
1 1 1 -32 12 29 o 36.38726 0.6795285 13.26383       0.4937350 13.53402       0.7218384 13.02630       0.6768267 0.6908379      1.359057  
1 1 1 -32 12 30 o 24.90274 0.7322977 6.203580       0.3624736 6.384608       0.5471004 6.061946       0.4839238 0.6376476      1.464595  
1 1 1 -32 12 31 o 35.37432 0.6942945 12.51578       0.4898598 13.00932       0.7251543 12.10151       0.6643633 1.273773       1.388589  
1 1 1 -32 12 32 o 31.14267 0.8005167 9.774077       0.4777962 9.612978       0.7958957 9.864851       0.5974274 -0.4400444     1.601033  
1 1 1 -32 12 33 f 59.70122 0.8851990 35.37319       1.026264  37.68790       1.687533  34.01469       1.292807  2.994995       1.770398  
1 1 1 -32 12 34 o 21.82746 0.7853596 4.727188       0.3407009 5.490214       0.5135583 4.127385       0.4553277 3.110722       1.570719  
1 1 1 -32 12 35 o 50.92739 0.7500767 26.03153       0.7634115 26.25235       1.103299  25.82869       1.057416  0.4072609      1.500153  
1 1 1 -32 12 36 o 33.36765 0.7017652 11.15459       0.4676940 10.37017       0.6485519 12.00452       0.6750841 -2.444389      1.403530  
1 1 1 -32 12 37 o 28.96828 0.8836283 8.433626       0.5117258 8.330798       0.7116713 8.543706       0.7363381 -0.3621540     1.767257  
1 1 1 -32 12 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 13 1  o 26.55128 1.199568  7.116472       0.6367578 7.256602       0.8944904 6.972502       0.9066557 0.5382633      2.399135  
1 1 1 -32 13 2  o 35.81272 1.093198  12.90685       0.7823973 13.64223       1.125468  12.21908       1.088416  1.978024       2.186396  
1 1 1 -32 13 3  o 50.61943 1.120189  25.73319       1.131174  24.71335       1.535091  26.94489       1.673270  -2.171268      2.240377  
1 1 1 -32 13 4  f 22.07797 1.298574  4.921134       0.5728487 4.948905       0.8294697 4.895810       0.7920836 0.1102314      2.597147  
1 1 1 -32 13 5  o 42.06211 1.081577  17.65244       0.9053687 16.24175       1.209248  19.45193       1.365760  -3.781761      2.163154  
1 1 1 -32 13 6  o 20.74139 1.327450  4.359758       0.5482484 4.793612       0.7718433 3.917953       0.7788851 2.112761       2.654900  
1 1 1 -32 13 7  f 36.42242 1.098134  13.35869       0.7997156 13.48048       1.121126  13.23252       1.141075  0.3447685      2.196267  
1 1 1 -32 13 8  o 15.68357 1.622472  2.493958       0.5086050 2.620024       0.7305357 2.375376       0.7085215 0.7728415      3.244943  
1 1 1 -32 13 9  o 28.10383 1.170989  7.912311       0.6562427 7.250398       0.8900251 8.700868       0.9714457 -2.561611      2.341978  
1 1 1 -32 13 10 o 36.98968 1.105167  13.77408       0.8175068 13.65018       1.145988  13.90246       1.166544  -0.3365211     2.210334  
1 1 1 -32 13 11 o 40.41528 2.596922  0.000000       0.000000  ?              ?         16.64174       2.099107  ?              ?         
1 1 1 -32 13 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 13 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 13 14 f 49.08009 1.359722  24.46111       1.271791  24.75819       1.581250  23.91686       2.140232  1.004623       2.719445  
1 1 1 -32 13 15 o 43.69038 1.097053  19.21370       0.9583611 19.09555       1.338309  19.33806       1.373011  -0.2700310     2.194105  
1 1 1 -32 13 16 o 31.27193 1.135993  9.824570       0.7095531 9.334443       0.9738455 10.37920       1.035951  -1.656502      2.271986  
1 1 1 -32 13 17 o 14.49107 1.742316  2.174286       0.4914232 1.931212       0.6945388 2.417975       0.6954167 -1.898820      3.484631  
1 1 1 -32 13 18 o 17.79360 0.5856380 3.139451       0.2069971 3.450487       0.3160062 2.905689       0.2739531 1.525984       1.171276  
1 1 1 -32 13 19 o 22.45515 0.5949075 5.059716       0.2665195 4.935071       0.3879939 5.171076       0.3667350 -0.5280170     1.189815  
1 1 1 -32 13 20 o 51.64255 0.7075201 26.74400       0.7307500 26.54617       1.030134  26.94439       1.036771  -0.3846130     1.415040  
1 1 1 -32 13 21 o 57.31068 0.7519392 32.92382       0.8613946 33.71018       1.243924  32.19931       1.194001  1.310616       1.503878  
1 1 1 -32 13 22 o 15.42438 0.7680554 2.397623       0.2341151 2.315184       0.3564395 2.460172       0.3104765 -0.4771061     1.536111  
1 1 1 -32 13 23 o 69.64026 0.8586155 48.59610       1.193942  50.58289       1.750120  46.86644       1.632943  2.647514       1.717231  
1 1 1 -32 13 24 o 37.09578 0.6489815 13.80049       0.4811349 13.66949       0.6919991 13.92307       0.6694176 -0.3449249     1.297963  
1 1 1 -32 13 25 o 51.34430 0.7237485 26.35337       0.7413812 27.76972       1.096293  25.15976       1.006408  2.527267       1.447497  
1 1 1 -32 13 26 o 10.97235 1.128251  1.253541       0.2365755 1.040347       0.3484408 1.435867       0.3222309 -1.952211      2.256502  
1 1 1 -32 13 27 o 69.71173 0.8639501 48.82452       1.204543  48.61736       1.700520  49.03313       1.706456  -0.2970657     1.727900  
1 1 1 -32 13 28 o 27.16934 0.7028855 7.440621       0.3800227 6.747017       0.5460314 8.092196       0.5292290 -2.478132      1.405771  
1 1 1 -32 13 29 o 28.37277 0.7002554 8.071477       0.3959002 8.115592       0.5862918 8.034500       0.5367567 0.1351910      1.400511  
1 1 1 -32 13 30 o 36.90006 0.6843307 13.66095       0.5046836 13.54880       0.7257791 13.76595       0.7022626 -0.2979050     1.368661  
1 1 1 -32 13 31 o 30.53200 0.7033076 9.330597       0.4281933 9.623186       0.6342709 9.085583       0.5804196 0.8715687      1.406615  
1 1 1 -32 13 32 o 30.68991 0.7027318 9.414116       0.4298711 9.872614       0.6401466 9.037556       0.5801333 1.350302       1.405464  
1 1 1 -32 13 33 o 22.46057 0.7886784 5.030451       0.3508933 5.322343       0.5407252 4.818115       0.4611874 1.106743       1.577357  
1 1 1 -32 13 34 o 7.991663 1.636857  0.6082958      0.2791393 0.9465748      0.4498807 0.3965383      0.3559420 2.920465       3.273715  
1 1 1 -32 13 35 o 46.19903 0.7408807 21.43560       0.6837124 21.18088       0.9885327 21.66920       0.9466570 -0.5360641     1.481761  
1 1 1 -32 13 36 o 18.42227 1.128360  3.430673       0.4104381 3.381982       0.6303824 3.466505       0.5407635 -0.2544136     2.256720  
1 1 1 -32 13 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 14 1  o 10.26685 2.092280  1.043551       0.4997738 0.3547664      0.7046796 1.740636       0.7089132 -5.044457      4.184560  
1 1 1 -32 14 2  o 37.56669 1.114720  14.21934       0.8374509 14.42193       1.193978  14.02315       1.174921  0.5260811      2.229439  
1 1 1 -32 14 3  o 28.20445 1.223134  8.025037       0.6892002 7.937293       0.9504150 8.122349       1.000896  -0.3143749     2.446269  
1 1 1 -32 14 4  o 41.95661 1.098556  17.67291       0.9190795 16.94869       1.243407  18.54516       1.364577  -1.872780      2.197111  
1 1 1 -32 14 5  f 22.34765 1.386308  5.091056       0.6135946 5.854112       0.8634819 4.312709       0.8720896 3.451328       2.772615  
1 1 1 -32 14 6  o 46.18341 1.109396  21.41339       1.021611  20.53282       1.381735  22.47526       1.517315  -2.069778      2.218792  
1 1 1 -32 14 7  o 10.32827 2.213347  1.097084       0.5055868 0.8191800      0.7128782 1.378333       0.7171566 -2.109021      4.426694  
1 1 1 -32 14 8  o 31.19507 1.181298  9.803865       0.7366748 9.464144       1.024286  10.16788       1.060277  -1.118935      2.362596  
1 1 1 -32 14 9  o 25.06516 3.483632  0.000000       0.000000  ?              ?         6.507818       1.746356  ?              ?         
1 1 1 -32 14 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 14 11 o 7.532309 3.393972  -0.4861860     1.078290  -0.4861860     1.078290  ?              ?         ?              ?         
1 1 1 -32 14 12 o 61.12784 1.230570  37.69521       1.504191  38.52528       2.129106  36.86804       2.125394  1.354618       2.461140  
1 1 1 -32 14 13 o 18.92506 1.489349  3.628579       0.5635016 3.558621       0.8027617 3.696534       0.7911875 -0.3678684     2.978698  
1 1 1 -32 14 14 o 30.02511 1.182703  9.087649       0.7101634 9.082752       1.010304  9.092434       0.9984460 -0.1897430E-01 2.365406  
1 1 1 -32 14 15 o 40.95972 1.121716  16.67497       0.9127406 14.83787       1.210734  19.09363       1.389215  -5.154240      2.243431  
1 1 1 -32 14 16 o 10.49590 2.112127  1.127173       0.4739499 1.519344       0.7018508 0.7984261      0.6425950 2.894579       4.224254  
1 1 1 -32 14 17 o 47.79377 1.131832  22.89677       1.079111  24.82530       1.595366  21.27025       1.465126  3.688705       2.263663  
1 1 1 -32 14 18 o 12.00951 2.048391  1.536297       0.4925554 1.926754       0.7009248 1.155377       0.6923119 3.007094       4.096783  
1 1 1 -32 14 19 o 35.81662 0.5959001 12.84094       0.4265306 13.21774       0.6182503 12.49871       0.5892078 1.000088       1.191800  
1 1 1 -32 14 20 o 17.03802 0.6389918 2.881541       0.2159813 3.128716       0.3317243 2.699657       0.2845590 1.252581       1.277984  
1 1 1 -32 14 21 f 26.04065 0.6061211 6.755557       0.3142645 7.218943       0.4722604 6.387278       0.4210152 1.589991       1.212242  
1 1 1 -32 14 22 o 15.45533 0.7390916 2.293731       0.2219962 3.249708       0.3538793 1.673404       0.2850636 5.088309       1.478183  
1 1 1 -32 14 23 o 10.84986 0.9418911 1.162908       0.2023406 1.336988       0.3144907 1.039948       0.2643119 1.358299       1.883782  
1 1 1 -32 14 24 o 24.70855 0.6421969 6.072987       0.3155874 6.563890       0.4779242 5.693441       0.4202362 1.753222       1.284394  
1 1 1 -32 14 25 o 23.76232 0.6699208 5.696101       0.3163687 5.070919       0.4540575 6.285980       0.4410518 -2.558605      1.339842  
1 1 1 -32 14 26 o 10.04110 1.145645  1.009673       0.2229826 1.218023       0.3443611 0.8592384      0.2926112 1.906205       2.291289  
1 1 1 -32 14 27 o 26.50829 0.6728531 7.079212       0.3544959 6.191388       0.5026212 7.957992       0.5000545 -3.332560      1.345706  
1 1 1 -32 14 28 o 44.35738 0.6915857 19.73717       0.6134251 19.72637       0.8758397 19.74757       0.8594217 -0.2650833E-01 1.383171  
1 1 1 -32 14 29 o 5.241601 1.515164  0.1046791      0.2498576 0.8722235E-01  0.3843798 0.1174524      0.3287989 0.2287245      3.030328  
1 1 1 -32 14 30 o 13.56903 1.031845  1.812420       0.2767386 2.226172       0.4287749 1.517008       0.3623038 2.596506       2.063689  
1 1 1 -32 14 31 f 32.25260 0.6932107 10.44989       0.4465674 9.896516       0.6343837 10.99347       0.6287373 -1.701544      1.386421  
1 1 1 -32 14 32 o 37.98984 0.7044647 14.49672       0.5345640 14.16099       0.7702851 14.80863       0.7424577 -0.8572960     1.408929  
1 1 1 -32 14 33 o 31.05172 0.7152339 9.656184       0.4422800 9.885010       0.6599706 9.469643       0.5958844 0.6576309      1.430468  
1 1 1 -32 14 34 f 21.37397 0.9595928 4.541619       0.4063817 5.000506       0.6286631 4.212227       0.5326244 1.821259       1.919186  
1 1 1 -32 14 35 o 11.19360 2.206617  0.000000       0.000000  ?              ?         1.317206       0.4764087 ?              ?         
1 1 1 -32 15 1  o 38.67155 1.145305  15.09298       0.8851998 15.34739       1.235754  14.82487       1.268616  0.6844101      2.290610  
1 1 1 -32 15 2  o 20.52536 1.446526  4.259846       0.5927358 4.104887       0.8093082 4.439142       0.8705480 -0.7938366     2.893052  
1 1 1 -32 15 3  o 48.98886 1.146191  24.18721       1.122138  23.86003       1.552284  24.54532       1.624030  -0.6807747     2.292382  
1 1 1 -32 15 4  o 16.24272 1.749195  2.678413       0.5666789 2.421641       0.7765659 2.970883       0.8287911 -1.670315      3.498390  
1 1 1 -32 15 5  f 48.39812 1.154583  23.61859       1.117462  23.56632       1.567596  23.67260       1.593380  -0.1031990     2.309167  
1 1 1 -32 15 6  o 39.68957 1.161925  15.84864       0.9209878 14.73265       1.271375  17.08092       1.335971  -2.941753      2.323851  
1 1 1 -32 15 7  o 38.16964 1.732891  0.000000       0.000000  ?              ?         14.70564       1.322876  ?              ?         
1 1 1 -32 15 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 15 9  o 21.46354 3.281566  4.762776       1.408680  4.762776       1.408680  ?              ?         ?              ?         
1 1 1 -32 15 10 o 24.11705 1.394553  5.773278       0.6609992 4.447638       0.8759294 7.526658       1.007382  -6.343029      2.789107  
1 1 1 -32 15 11 o 52.25606 1.176051  27.51917       1.228106  26.93092       1.696207  28.16732       1.780464  -1.160885      2.352101  
1 1 1 -32 15 12 o 17.30419 1.626860  3.065926       0.5582193 3.262159       0.7582518 2.833721       0.8248260 1.262032       3.253719  
1 1 1 -32 15 13 o 37.85416 1.139040  14.45476       0.8618701 14.83270       1.210484  14.06616       1.227429  1.016811       2.278079  
1 1 1 -32 15 14 o 24.84548 1.324031  6.245033       0.6573982 5.970038       0.9308380 6.518688       0.9285692 -1.104795      2.648062  
1 1 1 -32 15 15 o 62.93518 1.253862  40.00336       1.578189  40.27580       2.228635  39.72931       2.235173  0.4360085      2.507724  
1 1 1 -32 15 16 o 53.26873 1.180449  28.62151       1.257444  28.40759       1.761098  28.84398       1.796006  -0.4004097     2.360898  
1 1 1 -32 15 17 o 44.85078 1.127092  20.27745       1.010644  21.00902       1.435222  19.55790       1.423385  1.614750       2.254185  
1 1 1 -32 15 18 o 40.80288 1.129495  16.73886       0.9203904 18.01014       1.338159  15.59750       1.267936  2.938843       2.258989  
1 1 1 -32 15 19 o 10.80423 2.224292  1.226276       0.5083008 1.266712       0.7509788 1.192088       0.6905134 0.3329687      4.448584  
1 1 1 -32 15 20 o 20.96237 1.445554  4.449515       0.6051771 4.487146       0.8812897 4.415935       0.8324928 0.1543102      2.891108  
1 1 1 -32 15 21 o 5.631628 1.233554  0.3229659      0.1519612 0.2620237      0.2525448 0.3575545      0.1902589 -0.4551339     2.467108  
1 1 1 -32 15 22 o 29.57987 0.6128337 8.775098       0.3619132 8.685196       0.5262141 8.855795       0.4985508 -0.2921257     1.225667  
1 1 1 -32 15 23 o 23.25506 0.6351865 5.305143       0.2920406 6.254735       0.4567417 4.648436       0.3798289 3.442696       1.270373  
1 1 1 -32 15 24 o 15.04250 0.7856632 2.245679       0.2335957 2.436593       0.3645942 2.112738       0.3042439 1.065690       1.571326  
1 1 1 -32 15 25 o 11.74456 1.052984  1.514645       0.2216205 0.9848999      0.3406568 1.903382       0.2918180 -4.053106      2.105968  
1 1 1 -32 15 26 o 33.14583 0.6517894 11.01361       0.4311061 10.03793       0.6017482 12.04247       0.6179258 -3.021341      1.303579  
1 1 1 -32 15 27 o 14.70621 0.8667073 2.145909       0.2522579 2.362157       0.3922403 1.993382       0.3294196 1.240653       1.733415  
1 1 1 -32 15 28 o 12.59490 0.9848773 1.542119       0.2435178 1.911645       0.3925647 1.310982       0.3104728 2.364388       1.969755  
1 1 1 -32 15 29 o 17.81225 0.8149097 3.151580       0.2862646 3.398441       0.4502145 2.984041       0.3708954 1.146921       1.629819  
1 1 1 -32 15 30 o 16.01470 0.9130336 2.491515       0.2873630 3.193823       0.4566496 2.031062       0.3697537 3.610621       1.826067  
1 1 1 -32 15 31 o 9.960047 1.438977  1.075348       0.2740649 0.8137251      0.4335538 1.249470       0.3536972 -2.339128      2.877954  
1 1 1 -32 15 32 o 33.78240 0.8529286 11.50654       0.5744491 10.71263       0.8248557 12.25423       0.8004801 -2.286800      1.705857  
1 1 1 -32 15 33 o 22.15752 1.211581  0.000000       0.000000  ?              ?         4.935696       0.5369126 ?              ?         
1 1 1 -32 16 1  o 29.11718 1.290490  8.597873       0.7494329 8.904981       1.034416  8.258574       1.087275  1.127195       2.580980  
1 1 1 -32 16 2  o 33.32345 1.233676  11.07658       0.8160881 9.474074       1.089851  13.12203       1.231296  -5.429897      2.467352  
1 1 1 -32 16 3  o 7.889897 2.153808  0.2558343      0.5318013 -0.4056881     0.7621356 0.8835627      0.7424135 -3.308969      4.307615  
1 1 1 -32 16 4  o 60.04027 1.238178  36.40956       1.486435  37.56453       2.123455  35.29983       2.081448  1.873501       2.476357  
1 1 1 -32 16 5  o 27.05059 1.931467  0.000000       0.000000  ?              ?         7.408353       1.044946  ?              ?         
1 1 1 -32 16 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 16 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 16 8  f 28.11266 1.413547  7.606516       0.7657334 6.624448       0.9419824 9.519691       1.314768  -5.028511      2.827095  
1 1 1 -32 16 9  f 21.63680 1.448315  4.709478       0.6244180 5.221720       0.9307232 4.290202       0.8420420 2.123484       2.896631  
1 1 1 -32 16 10 o 16.79620 1.835901  2.883368       0.5919380 3.717387       0.8887696 2.218478       0.7935524 4.640464       3.671801  
1 1 1 -32 16 11 o 22.36653 1.423307  5.027815       0.6333907 4.378904       0.8580380 5.804821       0.9389151 -3.161804      2.846614  
1 1 1 -32 16 12 o 37.35392 1.151220  14.07105       0.8599619 14.12371       1.208824  14.01710       1.223651  0.1465302      2.302439  
1 1 1 -32 16 13 o 24.24984 1.378566  5.929181       0.6663688 5.287457       0.9150127 6.653888       0.9723766 -2.799740      2.757131  
1 1 1 -32 16 14 f 40.90639 1.158159  16.84883       0.9461231 16.41506       1.296930  17.34228       1.383281  -1.110958      2.316319  
1 1 1 -32 16 15 o 18.50181 1.668947  3.492140       0.6145772 3.089608       0.8660825 3.900412       0.8722371 -2.188858      3.337894  
1 1 1 -32 16 16 o 31.78304 1.214491  10.18603       0.7714897 10.71719       1.109261  9.688370       1.073709  1.608807       2.428982  
1 1 1 -32 16 17 o 48.30869 1.167630  23.51633       1.127539  24.33494       1.626584  22.75913       1.564395  1.614594       2.335260  
1 1 1 -32 16 18 o 17.45481 1.657910  3.099782       0.5780532 3.114380       0.8393959 3.086615       0.7972154 0.6366158E-01  3.315820  
1 1 1 -32 16 19 o 13.40144 2.057782  1.854333       0.5286655 2.277241       0.8410366 1.578078       0.6797471 2.464805       4.115564  
1 1 1 -32 16 20 o 29.53254 1.245269  8.818609       0.7327072 7.860475       1.026851  9.812466       1.045818  -3.299387      2.490538  
1 1 1 -32 16 21 o 24.36186 1.346652  6.035912       0.6502540 5.096663       0.9165148 6.987907       0.9227126 -3.879641      2.693304  
1 1 1 -32 16 22 o 44.69055 0.6709068 20.00737       0.5991062 20.59119       0.8702984 19.48150       0.8259670 1.234505       1.341814  
1 1 1 -32 16 23 o 5.993649 1.224967  0.2603637      0.1748188 0.6916142      0.2878675 0.8390839E-02  0.2200415 4.237265       2.449934  
1 1 1 -32 16 24 o 26.70327 0.6358424 7.062034       0.3370129 7.876890       0.5169522 6.459742       0.4444408 2.642153       1.271685  
1 1 1 -32 16 25 o 31.79233 0.6481461 10.14968       0.4111089 9.290885       0.5792716 11.02119       0.5835435 -2.720560      1.296292  
1 1 1 -32 16 26 o 14.64773 0.8372098 2.121137       0.2427804 2.405567       0.3776132 1.920717       0.3169781 1.642209       1.674420  
1 1 1 -32 16 27 o 23.42543 0.6915731 5.447106       0.3208424 5.913410       0.4966632 5.113147       0.4203136 1.694986       1.383146  
1 1 1 -32 16 28 f 20.31881 0.7341549 4.160305       0.2953562 4.020304       0.4464048 4.269308       0.3938987 -0.6221180     1.468310  
1 1 1 -32 16 29 o 7.078537 1.599174  0.4706898      0.2542143 0.6579545      0.4041874 0.3481291      0.3269870 1.795511       3.198347  
1 1 1 -32 16 30 o 14.28135 1.075135  2.093377       0.2973290 1.893760       0.4714025 2.225253       0.3831558 -1.184089      2.150269  
1 1 1 -32 16 31 o 10.43970 2.776881  0.000000       0.000000  ?              ?         1.160342       0.5900453 ?              ?         
1 1 1 -32 17 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 17 2  o 11.33278 2.433149  1.351615       0.6028820 1.176174       0.8690335 1.514389       0.8370724 -1.143971      4.866299  
1 1 1 -32 17 3  o 41.73372 1.218324  17.45983       1.012928  15.76472       1.366368  19.52803       1.509260  -4.466084      2.436648  
1 1 1 -32 17 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 17 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 17 6  o 55.92860 1.743687  31.61976       1.950440  31.61976       1.950440  ?              ?         ?              ?         
1 1 1 -32 17 7  o 53.29051 1.224285  28.41689       1.295593  26.44894       1.712896  31.04807       1.980614  -4.232628      2.448569  
1 1 1 -32 17 8  o 37.13166 1.196963  13.86480       0.8863608 13.14036       1.199336  14.73668       1.315742  -2.114777      2.393926  
1 1 1 -32 17 9  o 19.94747 1.619156  4.033556       0.6380040 3.230558       0.8709081 4.963637       0.9372928 -4.317835      3.238311  
1 1 1 -32 17 10 o 43.27259 1.184534  18.88381       1.024218  18.39094       1.412327  19.43055       1.487522  -1.179420      2.369068  
1 1 1 -32 17 11 o 9.667700 2.363293  0.8896070      0.5574663 0.8159722      0.7814174 0.9659244      0.7955247 -0.5319729     4.726585  
1 1 1 -32 17 12 o 25.51326 1.336169  6.588711       0.6817683 6.576050       0.9591054 6.601643       0.9693075 -0.4685402E-01 2.672339  
1 1 1 -32 17 13 o 19.56084 1.666671  3.872088       0.6388889 2.905917       0.8647524 5.033307       0.9480298 -5.404922      3.333342  
1 1 1 -32 17 14 o 32.48447 1.246371  10.59269       0.8063337 9.363408       1.094914  12.04941       1.191906  -4.105125      2.492743  
1 1 1 -32 17 15 o 35.02901 1.192104  12.39098       0.8350027 12.45903       1.171341  12.32067       1.190640  0.2030678      2.384208  
1 1 1 -32 17 16 o 21.95251 1.457445  4.909245       0.6372064 4.547807       0.9195451 5.243135       0.8838087 -1.596338      2.914890  
1 1 1 -32 17 17 f 19.09319 1.667848  3.726311       0.6339294 3.318968       0.8962861 4.134064       0.8967372 -2.134336      3.335697  
1 1 1 -32 17 18 o 37.55913 1.196376  14.24115       0.8984458 13.95823       1.252613  14.54091       1.289373  -0.7648125     2.392752  
1 1 1 -32 17 19 o 36.80272 1.215747  13.68794       0.8945317 13.59653       1.279908  13.77523       1.250715  -0.2516403     2.431495  
1 1 1 -32 17 20 o 10.28354 2.360806  1.065131       0.5560591 1.220361       0.8132750 0.9288583      0.7619995 1.094795       4.721611  
1 1 1 -32 17 21 o 54.26127 1.219067  29.68891       1.320583  28.70986       1.803719  30.82004       1.938756  -1.902882      2.438133  
1 1 1 -32 17 22 o 11.77628 2.262581  1.488541       0.5444009 1.426980       0.8295205 1.535117       0.7215253 -0.3838234     4.525161  
1 1 1 -32 17 23 o 43.57859 1.211364  19.18570       1.055743  18.93281       1.488778  19.44150       1.497352  -0.5810623     2.422728  
1 1 1 -32 17 24 o 15.72931 2.091871  2.696035       0.6282542 1.945065       0.9340679 3.316427       0.8489853 -4.619468      4.183743  
1 1 1 -32 17 25 o 46.12273 1.908793  21.54067       1.760775  21.54067       1.760775  ?              ?         ?              ?         
1 1 1 -32 17 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 17 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 17 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 18 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 18 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 18 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 18 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 18 7  o 33.76297 2.755265  11.69912       1.860518  11.69912       1.860518  ?              ?         ?              ?         
1 1 1 -32 18 8  f 8.256295 2.352371  0.3196921      0.6063343 0.5851729      0.8638768 0.6192425E-01  0.8512353 1.347181       4.704741  
1 1 1 -32 18 9  o 16.70225 1.901295  2.859246       0.6348447 2.859345       0.8850843 2.859140       0.9110925 0.1267815E-01  3.802590  
1 1 1 -32 18 10 f 32.15955 1.316923  10.46173       0.8466321 10.32198       1.176332  10.61193       1.219471  -0.4369011     2.633845  
1 1 1 -32 18 11 o 32.44614 1.300802  10.60038       0.8418511 9.636401       1.149329  11.71626       1.236567  -3.177277      2.601603  
1 1 1 -32 18 12 o 9.118176 2.356331  0.6633208      0.5850823 1.078279       0.8063866 0.2020301      0.8502145 2.431710       4.712661  
1 1 1 -32 18 13 o 26.63680 1.408643  7.121326       0.7414328 5.715912       0.9999796 8.837286       1.104950  -5.823044      2.817285  
1 1 1 -32 18 14 o 46.65810 1.204033  21.93949       1.121671  21.17286       1.533390  22.82184       1.645054  -1.733990      2.408066  
1 1 1 -32 18 15 o 18.81569 1.660570  3.607009       0.6246902 3.479749       0.8756926 3.738878       0.8914077 -0.6821842     3.321141  
1 1 1 -32 18 16 o 19.52130 1.640174  3.931996       0.6315499 3.438443       0.9323863 4.350404       0.8584775 -2.365202      3.280348  
1 1 1 -32 18 17 o 43.26740 1.206506  18.90542       1.043945  18.58897       1.464870  19.23199       1.488127  -0.7362099     2.413013  
1 1 1 -32 18 18 o 28.95056 1.356908  8.467407       0.7841744 7.771464       1.082665  9.235410       1.137334  -2.510277      2.713815  
1 1 1 -32 18 19 o 34.36875 1.889024  11.95758       1.298468  11.95758       1.298468  ?              ?         ?              ?         
1 1 1 -32 18 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 18 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 18 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 18 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 18 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 19 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 19 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 19 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 19 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -32 19 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 0  1  o 50.40018 0.9493148 25.50005       0.9553359 25.08617       1.348402  25.91720       1.353712  -0.000000      0.000000  
1 1 1 -31 0  2  o 26.57012 0.8262304 7.102442       0.4369018 7.493186       0.6282728 6.736542       0.6079721 -0.000000      0.000000  
1 1 1 -31 0  3  o 51.71189 0.9649255 26.84102       0.9963530 27.14147       1.419394  26.54917       1.398940  -0.000000      0.000000  
1 1 1 -31 0  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 0  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 0  6  o 96.25033 2.142719  93.17228       4.120201  93.17228       4.120201  93.17228       4.120201  -0.000000      0.000000  
1 1 1 -31 0  7  o 21.53857 0.8775932 4.688826       0.3752670 4.599068       0.5216703 4.785084       0.5402316 -0.000000      0.000000  
1 1 1 -31 0  8  o 61.30759 1.067578  37.70667       1.306687  36.90405       1.815614  38.56909       1.882044  -0.000000      0.000000  
1 1 1 -31 0  9  o 62.22315 1.079376  38.86365       1.341324  39.15824       1.912650  38.57856       1.881569  -0.000000      0.000000  
1 1 1 -31 0  10 o 4.369702 1.815674  0.2307278      0.2616459 0.2327706      0.3477915 0.2280641      0.3971474 -0.000000      0.000000  
1 1 1 -31 0  11 o 18.72910 0.9493552 3.581364       0.3495484 4.031674       0.4946192 3.132083       0.4940534 -0.000000      0.000000  
1 1 1 -31 0  12 o 34.78118 0.8544550 12.15817       0.5927037 12.40739       0.8377332 11.90838       0.8386869 -0.000000      0.000000  
1 1 1 -31 0  13 o 6.847057 1.934661  0.6777255      0.2826921 0.8694040      0.3693840 0.4067539      0.4391909 -0.000000      0.000000  
1 1 1 -31 0  14 o 36.06564 0.8640512 13.07060       0.6215881 13.31959       0.8785859 12.82107       0.8795313 -0.000000      0.000000  
1 1 1 -31 0  15 o 12.91088 1.371779  1.819905       0.3173913 2.034821       0.4226755 1.542047       0.4806015 -0.000000      0.000000  
1 1 1 -31 0  16 o 14.14246 1.189342  2.041489       0.3243922 1.780393       0.4211682 2.422282       0.5086285 -0.000000      0.000000  
1 1 1 -31 0  17 f 11.98912 1.616625  1.670700       0.3241237 2.000761       0.4306402 1.239391       0.4922788 -0.000000      0.000000  
1 1 1 -31 0  18 o 17.21313 1.104733  3.123846       0.3630102 3.648168       0.4916098 2.495175       0.5383106 -0.000000      0.000000  
1 1 1 -31 0  19 o 36.46591 0.8861106 13.35226       0.6440796 13.09263       0.8901587 13.63755       0.9330892 -0.000000      0.000000  
1 1 1 -31 0  20 o 7.355263 2.034457  0.7108712      0.2938663 0.5019180      0.3811291 1.017222       0.4614844 -0.000000      0.000000  
1 1 1 -31 0  21 o 46.26245 0.9464687 21.49049       0.8740110 21.41398       1.226317  21.56948       1.245995  -0.000000      0.000000  
1 1 1 -31 0  22 o 32.87715 0.8778347 10.86189       0.5750035 10.64810       0.7952809 11.09608       0.8323398 -0.000000      0.000000  
1 1 1 -31 0  23 f 8.260543 1.954751  0.8477736      0.3164713 0.4787829      0.4138207 1.367595       0.4911696 -0.000000      0.000000  
1 1 1 -31 0  24 o 9.043464 1.927327  1.100530       0.3356937 1.492754       0.4498565 0.6076718      0.5042753 -0.000000      0.000000  
1 1 1 -31 0  25 o 24.12151 0.9586341 5.883314       0.4587688 5.877357       0.6322937 5.889937       0.6666641 -0.000000      0.000000  
1 1 1 -31 0  26 o 28.25541 0.9226757 8.058691       0.5181583 8.287106       0.7192636 7.812253       0.7471021 -0.000000      0.000000  
1 1 1 -31 0  27 o 59.16816 1.080087  35.15931       1.276217  34.98316       1.797129  35.33852       1.812656  -0.000000      0.000000  
1 1 1 -31 0  28 o 51.96371 1.024893  27.12170       1.063263  26.75583       1.497803  27.49337       1.509628  -0.000000      0.000000  
1 1 1 -31 0  29 f 9.453657 2.166421  1.150643       0.3629169 1.228405       0.4942867 1.059693       0.5345597 -0.000000      0.000000  
1 1 1 -31 0  30 o 37.33379 1.254118  13.86486       0.8417242 14.57381       1.590846  13.58922       0.9919481 -0.000000      0.000000  
1 1 1 -31 0  31 o 51.11391 1.024309  26.24084       1.045092  25.84889       1.461495  26.65100       1.495042  -0.000000      0.000000  
1 1 1 -31 0  32 o 26.18409 1.011223  6.932321       0.5259488 6.910436       0.7313603 6.955762       0.7569053 -0.000000      0.000000  
1 1 1 -31 0  33 o 18.65290 1.195462  3.568133       0.4383396 3.448459       0.5992708 3.705838       0.6428307 -0.000000      0.000000  
1 1 1 -31 0  34 o 8.454372 2.372048  1.004916       0.3904690 1.099636       0.5262451 0.8888903      0.5824329 -0.000000      0.000000  
1 1 1 -31 0  35 o 3.869490 1.828498  -0.1341702     0.3741983 -0.5773789E-01 0.5053897 -0.2269164     0.5567188 -0.000000      0.000000  
1 1 1 -31 0  36 o 40.71243 0.9849532 16.66116       0.7994702 16.34124       1.108018  17.00859       1.154667  -0.000000      0.000000  
1 1 1 -31 0  37 o 20.04862 1.192827  4.066144       0.4681600 3.501369       0.6251271 4.787454       0.7064659 -0.000000      0.000000  
1 1 1 -31 0  38 f 4.513078 2.033933  0.3733854E-01  0.3991616 -0.1601608     0.5421132 0.2711994      0.5899103 -0.000000      0.000000  
1 1 1 -31 0  39 o 26.67616 1.057271  7.196807       0.5596130 7.055208       0.7687141 7.356459       0.8162474 -0.000000      0.000000  
1 1 1 -31 0  40 o 27.20986 1.095100  7.489404       0.5913326 7.063886       0.8200775 7.950272       0.8534623 -0.000000      0.000000  
1 1 1 -31 0  41 o 14.60206 1.675950  2.235236       0.4509874 1.876196       0.5994220 2.703593       0.6846210 -0.000000      0.000000  
1 1 1 -31 0  42 o 6.505207 2.385354  0.6143487      0.4174595 0.8356604      0.5739779 0.3658051      0.6082671 -0.000000      0.000000  
1 1 1 -31 0  43 o 21.73007 1.232054  4.799146       0.5262684 4.253159       0.7126549 5.453992       0.7804718 -0.000000      0.000000  
1 1 1 -31 0  44 o 5.907386 2.386629  0.4728415      0.4359039 0.4761666      0.5933735 0.4689432      0.6424723 -0.000000      0.000000  
1 1 1 -31 0  45 o 45.41431 1.062579  20.76627       0.9626510 20.33020       1.347797  21.22039       1.375411  -0.000000      0.000000  
1 1 1 -31 0  46 o 12.30458 2.251627  1.814861       0.4790338 1.568165       0.6732106 2.067878       0.6817830 -0.000000      0.000000  
1 1 1 -31 0  47 o 37.62324 2.195542  14.41607       1.640344  14.41607       1.640344  14.41607       1.640344  -0.000000      0.000000  
1 1 1 -31 1  1  o 55.81728 0.8680015 30.52079       0.8946676 33.12874       1.642954  29.42147       1.066694  3.253124       1.736003  
1 1 1 -31 1  2  o 32.21873 0.8020513 10.40300       0.5167230 10.12905       0.7242649 10.68701       0.7374262 -0.8644524     1.604103  
1 1 1 -31 1  3  o 26.22234 0.8111745 6.820476       0.4227331 7.984751       0.6328056 5.882169       0.5680869 4.002048       1.622349  
1 1 1 -31 1  4  o 30.88962 0.5801585 9.521442       0.3577596 10.32555       0.5225900 8.812182       0.4908019 2.447163       1.160317  
1 1 1 -31 1  5  o 56.90403 0.7161234 32.44253       0.8149888 32.35589       1.148230  32.53049       1.156956  -0.1525879     1.432247  
1 1 1 -31 1  6  o 26.19127 0.7204289 6.632719       0.3505943 6.256982       0.4183992 7.518465       0.6423975 -2.387136      1.440858  
1 1 1 -31 1  7  o 44.42709 0.9027697 19.76182       0.8012742 19.07409       1.102127  20.53290       1.167000  -1.634190      1.805539  
1 1 1 -31 1  8  o 34.60218 0.8471442 11.94071       0.5847018 10.99016       0.7945867 13.06327       0.8634904 -2.988140      1.694288  
1 1 1 -31 1  9  o 13.22043 1.067699  1.797888       0.2545745 1.654064       0.4670781 1.858668       0.3036387 -0.7952709     2.135399  
1 1 1 -31 1  10 o 11.22160 0.9342430 1.284587       0.2031929 1.668759       0.2899177 0.9136891      0.2848651 3.363782       1.868486  
1 1 1 -31 1  11 f 25.43820 0.5999686 6.472955       0.3050900 6.228381       0.4241350 6.735191       0.4391831 -0.9950275     1.199937  
1 1 1 -31 1  12 o 24.56868 0.6061488 6.021214       0.2969182 6.734760       0.4335074 5.390687       0.4075089 2.733368       1.212298  
1 1 1 -31 1  13 o 25.72445 0.6048260 6.610624       0.3107958 6.212829       0.4284147 7.052564       0.4515615 -1.630423      1.209652  
1 1 1 -31 1  14 o 11.53321 0.9240782 1.335939       0.2086757 0.9976067      0.2863101 1.719330       0.3047790 -3.126792      1.848156  
1 1 1 -31 1  15 o 5.340693 1.367549  0.2005592      0.1989550 0.2339916E-01  0.2781785 0.3860754      0.2846634 -1.851583      2.735099  
1 1 1 -31 1  16 o 23.69055 0.6301470 5.619286       0.2985056 5.570518       0.4171075 5.670484       0.4273813 -0.2101650     1.260294  
1 1 1 -31 1  17 o 28.99845 0.6056744 8.421739       0.3511128 8.738895       0.4976696 8.107424       0.4954349 1.088633       1.211349  
1 1 1 -31 1  18 o 36.85387 0.6191386 13.57566       0.4559094 13.00620       0.6282658 14.20908       0.6626108 -1.629223      1.238277  
1 1 1 -31 1  19 o 64.20493 0.7911233 41.25576       1.014885  42.67276       1.475696  39.98407       1.397984  2.085854       1.582247  
1 1 1 -31 1  20 o 59.76071 0.7543534 35.69046       0.9000446 34.18771       1.229296  37.42684       1.321400  -2.700958      1.508707  
1 1 1 -31 1  21 o 18.57375 0.7374882 3.452245       0.2737698 3.324173       0.3788505 3.592216       0.3960605 -0.7198753     1.474976  
1 1 1 -31 1  22 o 28.39296 0.6372362 7.979670       0.3590577 6.741692       0.4817850 9.526298       0.5385047 -4.898851      1.274472  
1 1 1 -31 1  23 o 20.81375 0.7016087 4.342047       0.2919377 4.221241       0.4144886 4.460976       0.4112548 -0.5762119     1.403217  
1 1 1 -31 1  24 f 25.47526 0.6512042 6.500890       0.3317693 6.451955       0.4707639 6.549179       0.4676369 -0.1910992     1.302408  
1 1 1 -31 1  25 o 7.333630 1.469576  0.5428650      0.2331704 0.7527007      0.3364938 0.3490406      0.3234012 2.280361       2.939152  
1 1 1 -31 1  26 o 55.46997 0.7334176 30.80664       0.8131828 31.62736       1.174684  30.05142       1.126836  1.415642       1.466835  
1 1 1 -31 1  27 o 29.43714 0.6568363 8.672416       0.3865263 8.998178       0.5564206 8.368612       0.5373401 1.067553       1.313673  
1 1 1 -31 1  28 o 19.72068 0.7652869 3.889348       0.3001966 3.355268       0.4138906 4.482177       0.4360605 -2.854719      1.530574  
1 1 1 -31 1  29 o 48.03452 0.9777985 23.16375       0.9393446 22.97629       1.324599  23.35339       1.332302  -0.3914185     1.955597  
1 1 1 -31 1  30 o 40.27781 0.6706011 16.25046       0.5401345 16.43635       0.7715840 16.07182       0.7563745 0.4510193      1.341202  
1 1 1 -31 1  31 o 24.25875 0.7236748 5.888339       0.3507997 6.218214       0.5076209 5.586786       0.4853404 1.298964       1.447350  
1 1 1 -31 1  32 o 81.48703 0.9570797 66.67265       1.559644  67.25127       2.224252  66.11297       2.187545  0.6927414      1.914159  
1 1 1 -31 1  33 o 22.48010 0.7752757 4.973258       0.3407487 6.693769       0.5187872 3.667845       0.4518919 6.721497       1.550551  
1 1 1 -31 1  34 f 34.63524 0.6797223 12.02268       0.4708304 12.13995       0.6690872 11.90765       0.6626688 0.3345909      1.359445  
1 1 1 -31 1  35 o 28.32815 0.7098019 7.993464       0.4003757 9.130052       0.5908488 7.028451       0.5444290 3.703587       1.419604  
1 1 1 -31 1  36 o 38.21939 0.6891107 14.63753       0.5266537 14.27059       0.7380543 15.01821       0.7517356 -0.9763947     1.378221  
1 1 1 -31 1  37 o 12.28940 1.209412  1.519062       0.2959993 1.720745       0.4283454 1.334732       0.4095026 1.566373       2.418824  
1 1 1 -31 1  38 o 57.21844 0.7785625 32.77060       0.8897998 31.37151       1.220850  34.35593       1.299569  -2.596210      1.557125  
1 1 1 -31 1  39 o 12.95368 1.152642  1.690034       0.2983277 1.590117       0.4178503 1.793920       0.4260679 -0.7847824     2.305284  
1 1 1 -31 1  40 o 63.69527 0.8315792 40.70860       1.058984  41.55960       1.522421  39.91085       1.474011  1.286121       1.663158  
1 1 1 -31 1  41 o 31.38792 0.7280192 9.875417       0.4567778 10.32540       0.6563171 9.452700       0.6361191 1.386980       1.456038  
1 1 1 -31 1  42 o 38.76928 0.7219302 15.07972       0.5597516 14.89667       0.7902181 15.26405       0.7930058 -0.4733582     1.443860  
1 1 1 -31 1  43 f 28.07282 0.7633309 7.906744       0.4283763 7.572526       0.6000040 8.254230       0.6117991 -1.212168      1.526662  
1 1 1 -31 1  44 o 23.27222 0.8399780 5.430415       0.3904572 5.064566       0.5401050 5.830943       0.5651240 -1.641680      1.679956  
1 1 1 -31 1  45 o 30.11452 0.7746694 9.087810       0.4656247 9.945873       0.6740470 8.304619       0.6439681 2.719278       1.549339  
1 1 1 -31 1  46 o 24.18329 0.8519303 5.879567       0.4116187 5.538114       0.5790294 6.228401       0.5852542 -1.425879      1.703861  
1 1 1 -31 1  47 o 30.49066 1.617860  9.498551       0.9818196 9.068240       1.440609  9.871785       1.341669  -1.356968      3.235720  
1 1 1 -31 2  1  f 31.38975 0.6861708 9.663751       0.4086233 9.245089       0.4987831 10.51822       0.7125700 -2.007856      1.372342  
1 1 1 -31 2  2  o 26.62093 0.5789772 7.060620       0.3071583 7.958545       0.4508255 6.282680       0.4196256 3.145185       1.157954  
1 1 1 -31 2  3  o 37.02559 0.5933526 13.67238       0.4384127 12.90275       0.5963187 14.57775       0.6467680 -2.257889      1.186705  
1 1 1 -31 2  4  o 43.83567 0.6259723 19.24336       0.5487825 19.10574       0.7725518 19.38353       0.7796888 -0.3162460     1.251945  
1 1 1 -31 2  5  f 20.34814 0.6194080 4.141939       0.2519106 3.944729       0.3502612 4.353251       0.3625683 -1.002810      1.238816  
1 1 1 -31 2  6  o 32.81200 0.5788594 10.74812       0.3793116 10.09988       0.5205719 11.48182       0.5538265 -2.103298      1.157719  
1 1 1 -31 2  7  o 25.05850 0.5935400 6.264404       0.2964971 7.023750       0.4326370 5.591912       0.4071436 2.855015       1.187080  
1 1 1 -31 2  8  f 23.66323 0.5950482 5.607418       0.2815486 5.640498       0.3945747 5.573104       0.4018652 0.1429634      1.190096  
1 1 1 -31 2  9  o 14.32504 0.9390527 2.039785       0.2524675 2.005013       0.3065905 2.113035       0.4449842 -0.3605509     1.878105  
1 1 1 -31 2  10 f 27.82526 0.8647250 7.763117       0.4812165 7.707687       0.6785966 7.819188       0.6825061 -0.1999264     1.729450  
1 1 1 -31 2  11 o 35.76708 0.8758116 12.82759       0.6263224 13.24892       0.8898822 12.41398       0.8816820 1.166286       1.751623  
1 1 1 -31 2  12 o 39.43415 0.7674507 15.60991       0.5685447 15.50538       0.9900865 15.66134       0.6944577 -0.2259979     1.534901  
1 1 1 -31 2  13 o 51.98676 0.6912314 27.07128       0.7186812 26.90638       1.012183  27.23893       1.020607  -0.3191109     1.382463  
1 1 1 -31 2  14 o 34.23257 0.6046656 11.70647       0.4133946 12.60472       0.5999467 10.89445       0.5704262 2.495762       1.209331  
1 1 1 -31 2  15 o 23.32866 0.6244667 5.441566       0.2911174 5.244534       0.4018512 5.659176       0.4223151 -0.8870754     1.248933  
1 1 1 -31 2  16 o 35.96217 0.6058082 12.92044       0.4351838 13.80989       0.6318071 12.11752       0.6002877 2.350548       1.211616  
1 1 1 -31 2  17 o 26.25007 0.6206030 6.895811       0.3256556 7.209096       0.4665950 6.598261       0.4547274 1.162544       1.241206  
1 1 1 -31 2  18 o 15.30066 0.8166115 2.364794       0.2447648 2.980356       0.3520153 1.788616       0.3405680 3.893224       1.633223  
1 1 1 -31 2  19 o 10.46874 1.069672  1.098350       0.2225619 0.9380575      0.3069617 1.276010       0.3231631 -1.611849      2.139344  
1 1 1 -31 2  20 o 28.01118 0.6222273 7.832813       0.3479814 7.258751       0.4779783 8.480222       0.5075960 -2.177889      1.244455  
1 1 1 -31 2  21 o 36.33492 0.6295224 13.21756       0.4573329 12.76420       0.6408914 13.68793       0.6528060 -1.270138      1.259045  
1 1 1 -31 2  22 f 42.81628 0.6547208 18.33647       0.5602456 17.48632       0.7764719 19.25969       0.8091519 -2.068024      1.309442  
1 1 1 -31 2  23 o 18.76463 0.7547112 3.524698       0.2815087 4.078571       0.4074241 3.018713       0.3894132 2.822247       1.509422  
1 1 1 -31 2  24 o 55.06827 0.7303060 30.36694       0.8040345 29.63095       1.118621  31.15358       1.156477  -1.378723      1.460612  
1 1 1 -31 2  25 o 38.04231 0.6451192 14.38988       0.4889996 15.83440       0.7303177 13.21597       0.6583656 3.435078       1.290238  
1 1 1 -31 2  26 o 11.72884 1.199016  1.472505       0.2518539 0.7679967      0.3502431 2.226849       0.3624192 -6.343902      2.398032  
1 1 1 -31 2  27 o 44.51276 0.6793570 19.77411       0.6034939 21.04538       0.8899011 18.69163       0.8211743 2.637192       1.358714  
1 1 1 -31 2  28 o 21.97933 0.8519427 4.809553       0.3597701 4.973312       0.6033586 4.719206       0.4481568 0.5589085      1.703885  
1 1 1 -31 2  29 o 39.68333 0.6652541 15.77174       0.5279094 15.46460       0.7391128 16.09162       0.7542712 -0.7885475     1.330508  
1 1 1 -31 2  30 o 20.91072 0.7600696 4.379358       0.3176942 4.496458       0.4587717 4.271464       0.4403679 0.5358982      1.520139  
1 1 1 -31 2  31 f 55.65188 0.7479966 31.04494       0.8324748 31.24026       1.186616  30.85563       1.168194  0.3434219      1.495993  
1 1 1 -31 2  32 o 15.22291 0.9785405 2.352175       0.2932321 1.876841       0.4148994 2.826564       0.4144865 -3.119454      1.957081  
1 1 1 -31 2  33 o 60.12459 0.7881147 36.25098       0.9475258 36.66508       1.355780  35.85559       1.324766  0.6689682      1.576229  
1 1 1 -31 2  34 f 21.43178 0.7750446 4.605037       0.3321424 4.721974       0.4751817 4.493327       0.4644431 0.5319672      1.550089  
1 1 1 -31 2  35 o 9.917721 1.429486  1.028781       0.2736495 1.012729       0.3818775 1.045724       0.3923317 -0.1593752     2.858973  
1 1 1 -31 2  36 o 32.12613 0.6887169 10.32942       0.4421483 9.805162       0.6123813 10.90034       0.6390557 -1.701239      1.377434  
1 1 1 -31 2  37 o 23.88007 0.7635486 5.718287       0.3636386 5.155423       0.5072404 6.313436       0.5215850 -2.422636      1.527097  
1 1 1 -31 2  38 f 14.08018 1.043738  1.998644       0.2931013 2.158368       0.4130235 1.836604       0.4160081 1.143213       2.087476  
1 1 1 -31 2  39 o 29.21355 0.7192802 8.553556       0.4200737 8.744650       0.6050149 8.375687       0.5837058 0.6284428      1.438560  
1 1 1 -31 2  40 o 13.09491 1.197747  1.736617       0.3112882 1.486941       0.4391223 1.988824       0.4413421 -1.915792      2.395495  
1 1 1 -31 2  41 o 36.17148 0.7109304 13.11605       0.5141144 13.45847       0.7395492 12.79580       0.7151973 0.9122009      1.421861  
1 1 1 -31 2  42 o 30.14023 0.7412844 9.116082       0.4468248 9.028818       0.6329432 9.202777       0.6308733 -0.2889214     1.482569  
1 1 1 -31 2  43 o 20.80330 0.8926458 4.341738       0.3688754 3.684629       0.5088907 5.069253       0.5354601 -3.322622      1.785292  
1 1 1 -31 2  44 o 41.68397 0.7402217 17.43750       0.6170838 17.34025       0.8680906 17.53683       0.8773599 -0.2341957     1.480443  
1 1 1 -31 2  45 o 31.47435 0.7603426 9.926811       0.4780612 9.303375       0.6608022 10.61143       0.6924704 -2.071983      1.520685  
1 1 1 -31 2  46 o 43.43210 0.7506282 18.93503       0.6519764 18.64341       0.9158189 19.23471       0.9283771 -0.6783867     1.501256  
1 1 1 -31 2  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 3  1  o 35.93512 0.5795358 12.91987       0.4163356 13.42003       0.5981542 12.44986       0.5798472 1.348415       1.159072  
1 1 1 -31 3  2  o 18.20018 0.6241580 3.308953       0.2267720 3.040006       0.3127711 3.607028       0.3292729 -1.556328      1.248316  
1 1 1 -31 3  3  o 22.02315 0.5858564 4.855433       0.2575891 5.256260       0.3685692 4.472713       0.3601486 1.778248       1.171713  
1 1 1 -31 3  4  o 27.04929 0.5706968 7.325425       0.3086518 7.311398       0.4312126 7.340162       0.4419858 -0.5233955E-01 1.141394  
1 1 1 -31 3  5  o 17.66610 0.6591740 3.140045       0.2314375 3.535567       0.3267225 2.741704       0.3278847 2.246956       1.318348  
1 1 1 -31 3  6  o 17.67670 0.6559668 3.093172       0.2297210 2.554028       0.3085375 3.763826       0.3441159 -3.418910      1.311934  
1 1 1 -31 3  7  o 15.96105 0.6920437 2.546356       0.2206357 2.438297       0.3028693 2.668547       0.3220666 -0.7195272     1.384087  
1 1 1 -31 3  8  o 24.48088 0.5894173 6.005655       0.2883560 6.183939       0.4040129 5.820533       0.4116896 0.7428188      1.178835  
1 1 1 -31 3  9  o 38.51521 0.6036960 14.85083       0.4649234 14.70860       0.6493977 15.00038       0.6659155 -0.3774796     1.207392  
1 1 1 -31 3  10 o 15.39051 0.7331449 2.383713       0.2241255 2.707467       0.3172467 2.061122       0.3166766 2.099763       1.466290  
1 1 1 -31 3  11 o 51.05098 0.6803147 26.10603       0.6946114 26.19844       0.9823570 26.01362       0.9823008 0.1810150      1.360629  
1 1 1 -31 3  12 o 30.41077 0.6455245 9.276931       0.3863899 9.346886       0.5045931 9.177762       0.6007832 0.2860012      1.291049  
1 1 1 -31 3  13 o 16.03588 0.9015262 2.331016       0.2700224 1.937711       0.3195821 3.312402       0.5048211 -4.264710      1.803052  
1 1 1 -31 3  14 f 21.20916 0.9752969 4.518858       0.4109763 3.866160       0.5728071 5.211303       0.5899901 -3.168999      1.950594  
1 1 1 -31 3  15 o 28.69098 0.8939183 8.195262       0.5104778 9.414590       0.7558542 7.172691       0.6921889 3.899664       1.787837  
1 1 1 -31 3  16 f 8.153594 1.472426  0.7555425      0.2496299 0.3174158      0.4576718 0.9410824      0.2978331 -3.052835      2.944852  
1 1 1 -31 3  17 o 34.83912 0.6121075 12.08242       0.4252388 13.28847       0.6296217 11.07086       0.5766242 3.178413       1.224215  
1 1 1 -31 3  18 o 31.18490 0.6113467 9.709735       0.3806809 9.024681       0.5233582 10.47941       0.5547394 -2.329897      1.222693  
1 1 1 -31 3  19 o 51.69686 0.6980367 26.75755       0.7214590 27.38909       1.037725  26.16672       1.003718  1.179108       1.396073  
1 1 1 -31 3  20 o 39.04638 0.6383868 15.26210       0.4983859 14.76821       0.6967633 15.77951       0.7131714 -1.293594      1.276774  
1 1 1 -31 3  21 o 61.12798 0.7693721 37.37156       0.9392942 36.02075       1.287557  38.90828       1.373311  -2.352978      1.538744  
1 1 1 -31 3  22 o 66.19543 0.8103731 43.91368       1.072608  44.59085       1.537341  43.27137       1.497246  0.9922485      1.620746  
1 1 1 -31 3  23 o 38.47493 0.6398023 14.79468       0.4917921 13.99521       0.6780981 15.68182       0.7143124 -2.188683      1.279605  
1 1 1 -31 3  24 o 77.28716 0.9080708 59.75723       1.400759  62.42791       2.062654  57.47134       1.908284  3.187393       1.816142  
1 1 1 -31 3  25 o 13.00228 1.025549  1.705008       0.2544402 2.440783       0.3767937 1.088258       0.3449736 5.196770       2.051098  
1 1 1 -31 3  26 o 54.75600 1.016419  30.01699       1.110986  31.53657       1.633908  28.71028       1.515148  2.563633       2.032838  
1 1 1 -31 3  27 f 34.80264 0.6542841 12.12686       0.4552908 12.45251       0.6529292 11.81867       0.6351940 0.9089355      1.308568  
1 1 1 -31 3  28 o 45.46962 0.6863425 20.66824       0.6234412 19.52978       0.8589960 21.93542       0.9062595 -2.640587      1.372685  
1 1 1 -31 3  29 o 24.59132 0.7087822 6.021153       0.3473436 6.763677       0.5135093 5.394886       0.4715985 2.778709       1.417564  
1 1 1 -31 3  30 o 19.43312 0.7874841 3.793000       0.3052203 3.464927       0.4312616 4.122248       0.4320329 -1.691147      1.574968  
1 1 1 -31 3  31 o 56.77610 0.7575822 32.17124       0.8577676 34.22894       1.273620  30.46311       1.160403  3.302734       1.515164  
1 1 1 -31 3  32 o 35.66968 0.6796185 12.73606       0.4844147 12.01838       0.6734270 13.50558       0.6973298 -2.081963      1.359237  
1 1 1 -31 3  33 o 34.81681 0.6757784 12.15145       0.4704815 11.91707       0.6667022 12.38394       0.6640284 -0.6707802     1.351557  
1 1 1 -31 3  34 o 22.14115 0.7668051 4.910581       0.3391654 5.256494       0.4883133 4.588167       0.4714364 1.506962       1.533610  
1 1 1 -31 3  35 o 40.97044 0.6917291 16.79750       0.5662163 17.43597       0.8241368 16.22668       0.7792490 1.470329       1.383458  
1 1 1 -31 3  36 o 40.12856 0.6931750 16.12506       0.5560187 15.59322       0.7712190 16.70072       0.8023639 -1.376083      1.386350  
1 1 1 -31 3  37 f 13.40282 1.131283  1.810146       0.3029576 1.876759       0.4251060 1.741396       0.4318674 0.5064039      2.262567  
1 1 1 -31 3  38 o 56.87389 0.7800636 32.38478       0.8860339 33.73375       1.296085  31.20122       1.214019  2.213951       1.560127  
1 1 1 -31 3  39 f 25.58354 0.7712592 6.562983       0.3943461 6.219968       0.5507991 6.923715       0.5648453 -1.373228      1.542518  
1 1 1 -31 3  40 o 33.37640 0.7135825 11.15982       0.4760438 11.57814       0.6878594 10.77529       0.6594915 1.198521       1.427165  
1 1 1 -31 3  41 o 7.228720 1.712551  0.5005461      0.2927759 0.5660612      0.4131597 0.4344648      0.4149414 0.6171432      3.425103  
1 1 1 -31 3  42 o 42.56203 0.7329998 18.14054       0.6230959 18.82526       0.9107744 17.53809       0.8543143 1.502979       1.466000  
1 1 1 -31 3  43 o 33.09802 0.7405789 10.96449       0.4895200 11.53379       0.7162762 10.46555       0.6705551 1.606102       1.481158  
1 1 1 -31 3  44 o 18.19049 0.9958578 3.320409       0.3616949 3.519608       0.5304881 3.147362       0.4944400 1.014704       1.991716  
1 1 1 -31 3  45 o 40.56487 0.7473102 16.50569       0.6059742 15.80824       0.8438171 17.24841       0.8707723 -1.770069      1.494620  
1 1 1 -31 3  46 o 15.29844 1.168224  2.366578       0.3567043 2.206923       0.5067200 2.523410       0.5022221 -1.035665      2.336447  
1 1 1 -31 3  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 4  1  o 15.79468 0.6419311 2.499453       0.2026693 2.518767       0.2825726 2.478993       0.2908416 0.1266623      1.283862  
1 1 1 -31 4  2  o 24.96200 0.5610647 6.237288       0.2800680 6.153585       0.3921411 6.324435       0.4001317 -0.3415985     1.122129  
1 1 1 -31 4  3  o 23.78786 0.5672641 5.667069       0.2697823 5.725976       0.3776769 5.605697       0.3855030 0.2534218      1.134528  
1 1 1 -31 4  4  o 16.16443 0.6598478 2.626576       0.2125606 2.802879       0.2956696 2.437988       0.3057982 1.129591       1.319696  
1 1 1 -31 4  5  o 81.93588 0.9345939 67.25134       1.529522  65.36901       2.099394  69.38071       2.232916  -2.431145      1.869188  
1 1 1 -31 4  6  o 42.04967 0.6155819 17.70016       0.5175036 17.46225       0.7201829 17.95414       0.7441252 -0.5828972     1.231164  
1 1 1 -31 4  7  o 34.96781 0.5802391 12.24341       0.4057481 12.26402       0.5698115 12.22221       0.5779029 0.6040573E-01  1.160478  
1 1 1 -31 4  8  f 34.50166 0.5809782 11.90597       0.4006381 11.56880       0.5545814 12.27401       0.5794094 -1.020073      1.161956  
1 1 1 -31 4  9  o 20.65846 0.6198446 4.269114       0.2559499 4.086760       0.3555937 4.465156       0.3686977 -0.9147606     1.239689  
1 1 1 -31 4  10 o 21.80655 0.6078586 4.759832       0.2650461 4.668203       0.3700745 4.856329       0.3797775 -0.4305744     1.215717  
1 1 1 -31 4  11 o 39.03777 0.6089171 15.20115       0.4744699 16.48285       0.6954520 14.08509       0.6489612 3.067371       1.217834  
1 1 1 -31 4  12 o 8.103119 1.210717  0.6666443      0.1943758 0.4771062      0.2638410 0.8916234      0.2874521 -2.638410      2.421435  
1 1 1 -31 4  13 o 30.37744 0.5924277 9.208483       0.3591880 10.06585       0.5241169 8.449203       0.4932263 2.658541       1.184855  
1 1 1 -31 4  14 o 51.92791 0.6897460 26.91336       0.7147831 28.51430       1.054281  25.55147       0.9723899 2.845444       1.379492  
1 1 1 -31 4  15 f 21.31936 0.6411653 4.551043       0.2733535 4.474482       0.3832238 4.630345       0.3900262 -0.3649731     1.282331  
1 1 1 -31 4  16 o 57.41412 0.7987124 33.17298       0.9093995 34.14910       1.220136  31.95304       1.364032  1.927547       1.597425  
1 1 1 -31 4  17 o 33.23811 0.7803164 10.90287       0.4775612 10.64737       0.5696441 11.50715       0.8760470 -1.262157      1.560633  
1 1 1 -31 4  18 o 42.00184 0.9499127 17.64721       0.7966018 18.65215       1.168951  16.77588       1.088479  2.223362       1.899825  
1 1 1 -31 4  19 o 58.08556 1.077449  33.79326       1.249565  32.31215       1.707409  35.50148       1.833640  -2.727119      2.154898  
1 1 1 -31 4  20 o 78.93970 1.320288  62.68295       2.083313  61.40031       2.888728  64.07308       3.007350  -1.671776      2.640576  
1 1 1 -31 4  21 o 50.48193 0.8733982 25.16656       0.8114443 26.55847       1.489669  24.57932       0.9675930 1.899334       1.746796  
1 1 1 -31 4  22 o 50.68495 0.7529722 25.84164       0.7601886 23.49838       1.085725  28.09510       1.064721  -4.536739      1.505944  
1 1 1 -31 4  23 o 42.30570 0.6541099 17.91423       0.5531272 18.29336       0.7988760 17.56511       0.7666018 0.8578148      1.308220  
1 1 1 -31 4  24 o 19.60253 0.9516520 3.862178       0.3723834 3.976424       0.5158668 3.737874       0.5380955 0.6113968      1.903304  
1 1 1 -31 4  25 o 77.73500 0.9150082 60.62893       1.422552  60.39683       2.006874  60.86332       2.016746  -0.2987671     1.830016  
1 1 1 -31 4  26 f 22.69789 0.6971220 5.164176       0.3162312 5.104639       0.4545234 5.220032       0.4402547 -0.2556324     1.394244  
1 1 1 -31 4  27 f 31.87194 0.6496042 10.17347       0.4134818 9.445819       0.5785610 10.93311       0.5911450 -2.332043      1.299208  
1 1 1 -31 4  28 o 33.60427 0.6502697 11.27234       0.4362495 12.04008       0.6402913 10.60717       0.5959882 2.127819       1.300539  
1 1 1 -31 4  29 o 14.31284 0.9513584 2.048950       0.2710249 2.349478       0.3954600 1.782773       0.3721732 1.976409       1.902717  
1 1 1 -31 4  30 o 67.65639 0.8363963 45.87751       1.131097  46.97017       1.633716  44.87154       1.567561  1.542336       1.672793  
1 1 1 -31 4  31 o 16.87232 0.8749244 2.856766       0.2948917 3.044852       0.4205445 2.674822       0.4136212 1.095566       1.749849  
1 1 1 -31 4  32 o 30.39931 0.6828432 9.264106       0.4150259 9.171288       0.5927171 9.353389       0.5813195 -0.3008518     1.365686  
1 1 1 -31 4  33 f 29.74357 0.8122174 9.054530       0.4629436 8.211836       0.7538131 9.564829       0.5865982 -2.297832      1.624435  
1 1 1 -31 4  34 o 6.729217 2.499901  0.000000       0.000000  ?              ?         0.3561803      0.4483955 ?              ?         
1 1 1 -31 4  35 o 9.723230 1.710751  0.9964232      0.3320509 0.9169184      0.4675015 1.077365       0.4717084 -0.7725973     3.421502  
1 1 1 -31 4  36 f 16.11778 1.233967  2.564603       0.3905428 1.962130       0.5166482 3.367837       0.5965508 -4.343010      2.467933  
1 1 1 -31 4  37 o 27.73486 0.9645442 7.726233       0.5337198 8.484587       0.7662473 7.011586       0.7438389 2.651409       1.929088  
1 1 1 -31 4  38 o 13.73669 1.394086  1.889631       0.3801628 1.595733       0.5132784 2.246774       0.5658160 -2.355278      2.788173  
1 1 1 -31 4  39 o 27.75613 0.9661195 7.722996       0.5355158 8.298260       0.7801698 7.210481       0.7363923 1.951044       1.932239  
1 1 1 -31 4  40 o 21.27306 1.078792  4.538911       0.4577677 4.110579       0.6272392 5.027048       0.6695974 -2.144279      2.157585  
1 1 1 -31 4  41 o 18.28741 1.232041  3.375815       0.4503287 3.214263       0.6320386 3.542394       0.6417955 -0.8944664     2.464083  
1 1 1 -31 4  42 o 47.84909 1.021083  23.02087       0.9764876 23.66239       1.413253  22.43480       1.350788  1.268677       2.042166  
1 1 1 -31 4  43 o 27.82741 1.029078  7.756625       0.5712415 8.494972       0.8425426 7.128473       0.7771311 2.439896       2.058156  
1 1 1 -31 4  44 f 24.83607 1.088145  6.202461       0.5379631 7.083701       0.7814175 5.408478       0.7417229 3.362173       2.176290  
1 1 1 -31 4  45 o 24.41101 1.111882  6.054920       0.5357133 7.221496       0.7613158 4.910767       0.7539638 4.730928       2.223765  
1 1 1 -31 4  46 o 9.332197 1.946003  0.8651735      0.4199416 1.368261       0.5950022 0.3658396      0.5927783 4.012671       3.892005  
1 1 1 -31 4  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 5  1  o 11.64098 1.542681  1.408437       0.3480090 1.051411       0.4879345 1.778100       0.4964953 -3.292336      3.085361  
1 1 1 -31 5  2  o 9.566074 0.8736377 0.9127313      0.1654220 0.7432448      0.2253167 1.110905       0.2436402 -1.919433      1.747275  
1 1 1 -31 5  3  o 24.04760 0.5611253 5.785482       0.2697630 5.625183       0.3750576 5.957294       0.3882916 -0.6894932     1.122251  
1 1 1 -31 5  4  o 37.69416 0.5850191 14.22448       0.4409470 14.09044       0.6163256 14.36503       0.6311243 -0.3630486     1.170038  
1 1 1 -31 5  5  f 24.73426 0.5638875 6.126956       0.2788714 6.226978       0.3920757 6.024544       0.3967330 0.4095783      1.127775  
1 1 1 -31 5  6  o 34.60455 0.5757966 11.97331       0.3981998 11.56046       0.5502033 12.42741       0.5770335 -1.250549      1.151593  
1 1 1 -31 5  7  o 49.49820 0.6615754 24.53946       0.6548787 24.37226       0.9189382 24.71200       0.9335105 -0.3418655     1.323151  
1 1 1 -31 5  8  o 18.56637 0.6268631 3.453160       0.2327072 3.503535       0.3268823 3.401395       0.3313588 0.2754440      1.253726  
1 1 1 -31 5  9  o 25.75596 0.5765255 6.641730       0.2969713 6.584083       0.4182264 6.700354       0.4217575 -0.2254429     1.153051  
1 1 1 -31 5  10 f 19.29926 0.6314639 3.729082       0.2427004 4.206355       0.3491115 3.282669       0.3376365 2.392092       1.262928  
1 1 1 -31 5  11 f 10.58943 0.9411973 1.145531       0.1936737 1.459960       0.2744409 0.8335869      0.2733541 2.957405       1.882395  
1 1 1 -31 5  12 f 27.02070 0.5869851 7.305389       0.3170361 7.659873       0.4545616 6.969622       0.4423993 1.276312       1.173970  
1 1 1 -31 5  13 o 39.53316 0.6130389 15.57719       0.4835367 14.53756       0.6570686 16.80525       0.7141391 -2.863422      1.226078  
1 1 1 -31 5  14 f 9.503578 1.080022  0.9269243      0.1973045 0.7334945      0.2754941 1.130615       0.2827071 -2.223424      2.160043  
1 1 1 -31 5  15 o 39.42264 0.6180024 15.55902       0.4871872 15.85452       0.6965228 15.27596       0.6816902 0.7325668      1.236005  
1 1 1 -31 5  16 o 32.18590 0.6016849 10.35283       0.3869110 9.777318       0.5342908 10.98741       0.5610382 -1.877695      1.203370  
1 1 1 -31 5  17 f 76.68544 0.8961160 58.82032       1.371582  61.49771       2.019438  56.52760       1.868737  3.222404       1.792232  
1 1 1 -31 5  18 o 61.03847 0.7658365 37.33419       0.9348212 36.88874       1.311056  37.79489       1.333299  -0.7399750     1.531673  
1 1 1 -31 5  19 o 51.30521 0.6937764 26.35543       0.7116075 26.90063       1.024010  25.84626       0.9896018 1.024311       1.387553  
1 1 1 -31 5  20 o 25.92107 0.6352262 6.716502       0.3282210 5.984337       0.4540023 7.518171       0.4750628 -2.956846      1.270452  
1 1 1 -31 5  21 o 41.86299 0.7129739 17.20581       0.5798733 16.16499       0.7280101 19.01221       0.9590789 -3.378181      1.425948  
1 1 1 -31 5  22 o 33.18987 1.171908  11.04507       0.7779095 11.04507       0.7779095 ?              ?         ?              ?         
1 1 1 -31 5  23 f 31.67622 0.9855306 10.09244       0.6226389 9.254736       0.8821759 10.92398       0.8789218 -2.635294      1.971061  
1 1 1 -31 5  24 o 24.72300 1.038061  6.088849       0.5096264 6.542272       0.7780338 5.748118       0.6744543 1.590834       2.076121  
1 1 1 -31 5  25 f 43.70519 1.001346  19.18341       0.8751132 18.88791       1.242931  19.47389       1.232331  -0.6719131     2.002692  
1 1 1 -31 5  26 o 28.34002 1.034674  8.017334       0.5805172 8.405773       0.8952634 7.735515       0.7625612 1.162493       2.069348  
1 1 1 -31 5  27 o 12.96275 2.110379  0.000000       0.000000  ?              ?         1.695840       0.5471261 ?              ?         
1 1 1 -31 5  28 o 10.99183 2.133835  0.000000       0.000000  ?              ?         1.260267       0.4523545 ?              ?         
1 1 1 -31 5  29 o 23.48917 1.299668  0.000000       0.000000  ?              ?         5.537720       0.6105623 ?              ?         
1 1 1 -31 5  30 o 34.37941 1.235573  0.000000       0.000000  ?              ?         11.86073       0.8495657 ?              ?         
1 1 1 -31 5  31 o 73.00334 1.236657  53.67851       1.805124  54.00688       2.586079  53.36650       2.520832  0.4248962      2.473314  
1 1 1 -31 5  32 o 27.02614 0.9156203 7.330150       0.4945966 7.709318       0.7080444 6.968819       0.6911905 1.367273       1.831241  
1 1 1 -31 5  33 o 52.53388 0.9321696 27.81115       0.9711709 28.49926       1.301402  26.94637       1.458946  1.503773       1.864339  
1 1 1 -31 5  34 o 19.39780 0.9761240 3.847487       0.3662769 4.076738       0.4706382 3.495352       0.5832924 1.517700       1.952248  
1 1 1 -31 5  35 o 12.63432 2.804493  1.690471       0.6899885 1.690471       0.6899885 ?              ?         ?              ?         
1 1 1 -31 5  36 o 12.30250 1.162192  1.524238       0.2856985 1.523623       0.3956984 1.524907       0.4129296 -0.1495361E-02 2.324384  
1 1 1 -31 5  37 f 46.75309 0.7304043 21.92320       0.6829525 21.85466       0.9686953 21.99093       0.9630110 -0.1465378     1.460809  
1 1 1 -31 5  38 o 18.14036 0.8903096 3.305042       0.3226426 3.313579       0.4678499 3.297299       0.4455384 0.4091263E-01  1.780619  
1 1 1 -31 5  39 o 48.61661 0.7394714 23.70881       0.7189268 23.83337       1.025726  23.58854       1.007939  0.2491035      1.478943  
1 1 1 -31 5  40 o 66.54134 0.8565223 44.43898       1.139230  43.26013       1.578735  45.71976       1.645572  -1.835495      1.713045  
1 1 1 -31 5  41 o 30.05260 0.7420608 9.066125       0.4458458 8.863647       0.6342544 9.263905       0.6268532 -0.6671410     1.484122  
1 1 1 -31 5  42 o 44.76435 0.7378587 20.02712       0.6592656 18.60298       0.9007032 21.67057       0.9675686 -3.415333      1.475717  
1 1 1 -31 5  43 o 17.89068 0.9793197 3.219248       0.3501718 3.391535       0.5011546 3.054890       0.4894869 0.9381733      1.958639  
1 1 1 -31 5  44 f 42.87685 0.7461585 18.43395       0.6393371 18.98823       0.9272628 17.93166       0.8827007 1.223839       1.492317  
1 1 1 -31 5  45 o 20.11208 0.9488017 4.055166       0.3808890 4.328660       0.5604234 3.820385       0.5192471 1.253897       1.897603  
1 1 1 -31 5  46 o 32.07056 1.448237  0.000000       0.000000  ?              ?         10.36039       0.9289150 ?              ?         
1 1 1 -31 6  1  o 33.53313 0.5562809 11.25208       0.3729409 11.67322       0.5344689 10.85245       0.5206391 1.222702       1.112562  
1 1 1 -31 6  2  f 19.98352 0.5538059 3.994571       0.2209000 4.356906       0.3176767 3.655349       0.3073773 1.754511       1.107612  
1 1 1 -31 6  3  o 34.68887 0.5659662 12.04743       0.3926281 11.86023       0.5521688 12.23888       0.5584037 -0.5452728     1.131932  
1 1 1 -31 6  4  f 10.01641 0.7964943 1.006452       0.1591700 0.9178189      0.2233991 1.097837       0.2268411 -0.8982325     1.592989  
1 1 1 -31 6  5  o 49.25907 0.6547942 24.28732       0.6447611 23.76594       0.8945675 24.85097       0.9301316 -1.098118      1.309588  
1 1 1 -31 6  6  o 29.87448 0.7578305 8.745294       0.3982236 9.364931       0.7906032 8.534640       0.4609704 1.356085       1.515661  
1 1 1 -31 6  7  o 53.18190 0.6850703 28.32515       0.7285389 28.84510       1.042243  27.82835       1.018777  0.9537125      1.370141  
1 1 1 -31 6  8  o 26.08862 0.5696473 6.811818       0.2970372 6.477886       0.4157622 7.159970       0.4245229 -1.306566      1.139295  
1 1 1 -31 6  9  o 30.42749 0.5732331 9.217020       0.3477584 10.25154       0.5130703 8.337853       0.4729815 3.141541       1.146466  
1 1 1 -31 6  10 f 33.03712 0.5793658 10.91483       0.3825704 11.39070       0.5523393 10.47601       0.5303999 1.382618       1.158732  
1 1 1 -31 6  11 o 48.78687 0.6616440 23.68249       0.6431655 25.71802       0.9618356 22.03619       0.8649983 3.764698       1.323288  
1 1 1 -31 6  12 o 42.54634 0.6259537 18.08408       0.5319365 17.23863       0.7298630 19.04196       0.7768800 -2.115273      1.251907  
1 1 1 -31 6  13 o 12.89632 0.7920195 1.667298       0.2036050 1.491960       0.2842614 1.852019       0.2917673 -1.395173      1.584039  
1 1 1 -31 6  14 o 55.95786 0.7212391 31.20423       0.8044566 29.37654       1.084539  33.43981       1.199470  -3.619423      1.442478  
1 1 1 -31 6  15 o 54.00293 0.7063037 29.20878       0.7626634 28.78065       1.064364  29.66054       1.093358  -0.8118896     1.412607  
1 1 1 -31 6  16 o 25.62921 0.6053013 6.576365       0.3102339 6.470645       0.4349688 6.685831       0.4426048 -0.4191799     1.210603  
1 1 1 -31 6  17 o 40.51906 0.6308014 16.43781       0.5111080 16.78107       0.7304139 16.10847       0.7154504 0.8287010      1.261603  
1 1 1 -31 6  18 o 41.00512 0.6343310 16.82940       0.5200418 17.28233       0.7472144 16.40392       0.7242246 1.069118       1.268662  
1 1 1 -31 6  19 f 69.35915 1.152081  48.35014       1.598081  47.97137       2.247608  48.73739       2.272656  -0.5482635     2.304161  
1 1 1 -31 6  20 o 37.21450 0.6287043 13.76252       0.4661114 12.46166       0.6283072 15.35468       0.6951047 -3.881184      1.257409  
1 1 1 -31 6  21 o 33.77983 0.6265644 11.40729       0.4227661 10.63951       0.5852115 12.24536       0.6114118 -2.374653      1.253129  
1 1 1 -31 6  22 o 53.60685 0.8512533 29.18441       0.8845368 27.25894       1.413750  30.42303       1.133891  -2.984310      1.702507  
1 1 1 -31 6  23 o 27.90949 0.7806062 7.828128       0.4342268 7.531992       0.6337309 8.090199       0.5961679 -1.004223      1.561212  
1 1 1 -31 6  24 o 72.87341 1.207660  53.40089       1.759621  52.51157       2.452895  54.34377       2.525658  -1.244339      2.415320  
1 1 1 -31 6  25 o 53.49555 0.9836489 28.61000       1.049715  30.43057       1.554176  27.08278       1.423465  3.110237       1.967298  
1 1 1 -31 6  26 o 43.00138 0.8900844 18.47204       0.7637581 19.80555       1.127002  17.33946       1.038635  2.855911       1.780169  
1 1 1 -31 6  27 o 31.48895 0.7976644 10.02420       0.4981736 11.07915       0.6886754 8.866215       0.7215193 3.517710       1.595329  
1 1 1 -31 6  28 o 28.11294 0.7706992 7.839676       0.4205647 7.588276       0.5300569 8.266883       0.6909708 -1.187874      1.541398  
1 1 1 -31 6  29 o 15.79724 0.9673443 2.434709       0.2999747 2.155225       0.3820835 2.883779       0.4843254 -2.289947      1.934689  
1 1 1 -31 6  30 o 20.65450 0.9656739 4.218074       0.3711093 4.106956       0.4462323 4.467309       0.6683049 -0.8365192     1.931348  
1 1 1 -31 6  31 o 35.24934 0.8538742 12.44355       0.5576777 12.40011       0.6717774 12.53987       1.000254  -0.1501884     1.707748  
1 1 1 -31 6  32 o 13.06270 1.371934  1.504647       0.3252784 1.013882       0.3875307 2.674833       0.5984076 -6.447789      2.743869  
1 1 1 -31 6  33 o 26.82195 0.9259617 7.466650       0.4648056 7.989279       0.5767073 6.497849       0.7851924 2.813261       1.851923  
1 1 1 -31 6  34 o 36.93058 0.9422796 13.62784       0.6846522 13.31322       0.8868336 14.09202       1.077175  -1.022533      1.884559  
1 1 1 -31 6  35 o 28.42556 1.098059  8.118576       0.6227063 8.296283       0.9176146 7.966880       0.8478021 0.5653400      2.196118  
1 1 1 -31 6  36 o 42.49989 1.063045  18.17134       0.9033609 18.25534       1.293344  18.09132       1.262312  0.1866264      2.126090  
1 1 1 -31 6  37 o 18.49755 1.463264  3.432397       0.5351207 3.657455       0.8320078 3.273616       0.6988418 0.9988537      2.926527  
1 1 1 -31 6  38 o 32.14638 1.117887  10.42824       0.7170802 10.00570       1.035971  10.81689       0.9935668 -1.271254      2.235773  
1 1 1 -31 6  39 f 23.43262 1.317105  5.419514       0.6097409 6.702592       0.9449092 4.504034       0.7981557 4.649576       2.634211  
1 1 1 -31 6  40 o 34.42281 1.107392  11.94225       0.7619597 11.42946       1.073128  12.46364       1.082075  -1.499969      2.214784  
1 1 1 -31 6  41 o 16.40216 1.536880  2.770876       0.4961679 3.185080       0.6832388 2.308706       0.7217158 2.684392       3.073759  
1 1 1 -31 6  42 o 10.54221 1.881571  1.057880       0.3723633 0.8518704      0.4421010 1.560780       0.6907462 -3.104480      3.763143  
1 1 1 -31 6  43 o 18.78018 1.251331  3.590890       0.4286854 3.630273       0.5123395 3.498952       0.7828026 0.4289017      2.502661  
1 1 1 -31 6  44 o 31.27354 0.9891582 9.301131       0.5608339 8.625009       0.6550853 11.15681       1.085266  -3.940968      1.978316  
1 1 1 -31 6  45 o 27.82733 0.8961770 7.796669       0.4884113 7.837327       0.6308126 7.735816       0.7717394 0.2130337      1.792354  
1 1 1 -31 6  46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 7  1  o 36.43433 0.9464065 13.32272       0.6894771 13.72174       0.9805714 12.93253       0.9696559 1.081532       1.892813  
1 1 1 -31 7  2  o 47.18899 0.6327434 22.30491       0.5971687 22.37792       0.8450109 22.23206       0.8440381 0.1544609      1.265487  
1 1 1 -31 7  3  o 44.57797 0.6168932 19.90313       0.5499728 19.89639       0.7740979 19.91000       0.7815132 -0.1459122E-01 1.233786  
1 1 1 -31 7  4  o 29.78762 0.5394430 8.856155       0.3208750 8.342067       0.4396309 9.442228       0.4694024 -1.844341      1.078886  
1 1 1 -31 7  5  o 19.47752 0.5462332 3.796007       0.2126817 3.967011       0.3045975 3.633321       0.2970973 0.8560162      1.092466  
1 1 1 -31 7  6  o 34.25469 0.5645619 11.73645       0.3865652 12.25059       0.5566547 11.25755       0.5372338 1.447937       1.129124  
1 1 1 -31 7  7  o 32.73501 0.5622627 10.72176       0.3679839 10.42522       0.5124013 11.03759       0.5288019 -0.9340591     1.124525  
1 1 1 -31 7  8  o 19.76463 0.5760754 3.910843       0.2276701 4.025728       0.3240754 3.798891       0.3199132 0.5735130      1.152151  
1 1 1 -31 7  9  o 17.94024 0.6022329 3.225619       0.2158855 3.368667       0.3043112 3.080682       0.3063152 0.8027916      1.204466  
1 1 1 -31 7  10 o 41.40224 0.8140942 17.57733       0.6179020 18.21330       0.7459170 16.18654       1.103066  2.486336       1.628188  
1 1 1 -31 7  11 o 33.86871 0.5817233 11.48546       0.3940229 11.65526       0.5590329 11.31782       0.5554492 0.4978600      1.163447  
1 1 1 -31 7  12 o 42.77196 0.6285443 18.22394       0.5361388 19.68541       0.7956133 17.00824       0.7256383 3.123562       1.257089  
1 1 1 -31 7  13 o 39.76769 0.6161196 15.76280       0.4888311 14.72322       0.6639581 16.99328       0.7223505 -2.849224      1.232239  
1 1 1 -31 7  14 o 19.86602 0.6250172 3.945528       0.2479676 3.656542       0.3434851 4.260060       0.3583451 -1.517702      1.250034  
1 1 1 -31 7  15 o 16.46334 0.8211311 2.730308       0.2684373 3.105551       0.3796610 2.355198       0.3795942 2.278853       1.642262  
1 1 1 -31 7  16 o 52.47261 0.7018556 27.55631       0.7361118 26.73445       1.019426  28.45169       1.064046  -1.632019      1.403711  
1 1 1 -31 7  17 o 53.03225 0.7069712 28.04585       0.7476958 29.92767       1.110036  26.48297       1.011608  3.238148       1.413942  
1 1 1 -31 7  18 o 31.76442 0.6450524 10.12788       0.4069003 9.915752       0.6094307 10.29850       0.5465751 -0.6080856     1.290105  
1 1 1 -31 7  19 o 20.13000 0.7396551 4.112836       0.2922660 3.752822       0.4472943 4.381058       0.3860819 -1.566713      1.479310  
1 1 1 -31 7  20 f 14.55627 0.9561491 2.115006       0.2775976 1.944651       0.3770248 2.316699       0.4102397 -1.273468      1.912298  
1 1 1 -31 7  21 o 53.40657 0.9623835 28.58072       1.026967  27.51363       1.415029  29.76831       1.492791  -2.100121      1.924767  
1 1 1 -31 7  22 o 14.29769 1.034337  2.065712       0.2938974 2.272853       0.4090232 1.844618       0.4225753 1.499593       2.068673  
1 1 1 -31 7  23 f 10.92346 1.145364  1.201051       0.2437884 1.205821       0.3118411 1.193554       0.3909587 0.6928539E-01  2.290729  
1 1 1 -31 7  24 o 33.28391 0.6333373 11.08656       0.4213988 11.43816       0.6073580 10.76019       0.5851576 1.016396       1.266675  
1 1 1 -31 7  25 o 35.02440 0.6404990 12.27721       0.4484085 12.60313       0.6475912 11.97702       0.6215037 0.8913574      1.280998  
1 1 1 -31 7  26 o 37.53465 0.6464523 14.03981       0.4837573 15.04027       0.7199759 13.21641       0.6531655 2.423058       1.292905  
1 1 1 -31 7  27 o 36.40357 0.6434687 13.26399       0.4681088 13.56920       0.6785747 12.98686       0.6465942 0.7966232      1.286937  
1 1 1 -31 7  28 o 18.03717 0.7754023 3.261148       0.2780664 3.755429       0.4011403 2.803952       0.3857988 2.635616       1.550805  
1 1 1 -31 7  29 o 8.194233 1.431120  0.7049718      0.2334517 0.7051216      0.3317786 0.7048247      0.3285463 0.1811028E-02  2.862240  
1 1 1 -31 7  30 o 53.50522 0.7375749 28.69617       0.7890872 29.08445       1.131173  28.32812       1.101302  0.7029305      1.475150  
1 1 1 -31 7  31 o 21.76804 0.7368684 4.740140       0.3203643 4.964491       0.4683042 4.542790       0.4392200 0.9648476      1.473737  
1 1 1 -31 7  32 o 62.04176 0.8020428 38.55392       0.9939265 39.77488       1.450480  37.47312       1.364688  1.842869       1.604086  
1 1 1 -31 7  33 o 44.45383 0.6990195 19.81483       0.6213161 19.53165       0.8847612 20.09034       0.8727103 -0.6298866     1.398039  
1 1 1 -31 7  34 o 24.70834 0.7270996 6.112395       0.3590327 6.385273       0.5199381 5.863686       0.4963786 1.052357       1.454199  
1 1 1 -31 7  35 o 22.70341 0.7675788 5.134392       0.3469781 5.864284       0.5134454 4.520882       0.4707342 2.952356       1.535158  
1 1 1 -31 7  36 o 35.47224 1.100188  12.65658       0.7787976 12.83499       1.143424  12.50219       1.063668  0.4517441      2.200377  
1 1 1 -31 7  37 o 30.05536 0.7130228 9.060518       0.4282187 9.028758       0.6182497 9.089805       0.5936825 -0.1050644     1.426046  
1 1 1 -31 7  38 o 44.92223 0.7250840 20.12784       0.6492807 21.67261       0.9677163 18.86312       0.8756188 3.112957       1.450168  
1 1 1 -31 7  39 o 25.22287 0.7609732 6.385541       0.3837480 6.373074       0.5496237 6.397399       0.5360348 -0.5053329E-01 1.521946  
1 1 1 -31 7  40 o 35.87556 0.7268756 12.86522       0.5202368 13.57002       0.7696238 12.27223       0.7059456 1.798542       1.453751  
1 1 1 -31 7  41 o 24.10022 0.7939122 5.831838       0.3826474 5.764555       0.5414273 5.898982       0.5408634 -0.2789936     1.587824  
1 1 1 -31 7  42 f 22.60496 0.8293822 5.145545       0.3739635 4.910605       0.5408733 5.360720       0.5176210 -1.000137      1.658764  
1 1 1 -31 7  43 o 25.57736 0.8079047 6.574141       0.4131148 6.492302       0.5904191 6.652636       0.5782365 -0.3158913     1.615809  
1 1 1 -31 7  44 o 24.18556 0.8273602 5.873073       0.3981375 5.098942       0.5522664 6.710774       0.5744942 -3.327692      1.654720  
1 1 1 -31 7  45 o 14.05805 2.130352  0.000000       0.000000  ?              ?         2.007643       0.5989722 ?              ?         
1 1 1 -31 8  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 8  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 8  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 8  4  o 22.93277 2.253345  5.314449       1.033509  5.314449       1.033509  ?              ?         ?              ?         
1 1 1 -31 8  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 8  6  o 25.09269 0.5897111 6.304872       0.2959337 6.365015       0.4211017 6.246184       0.4159724 0.2363415      1.179422  
1 1 1 -31 8  7  f 27.57445 0.6264654 7.602422       0.3451644 7.934272       0.5015117 7.303756       0.4757767 1.140959       1.252931  
1 1 1 -31 8  8  o 11.13951 0.7277097 1.246226       0.1615911 1.363462       0.2286084 1.129163       0.2284402 1.051638       1.455419  
1 1 1 -31 8  9  f 9.426016 0.8057670 0.8904935      0.1518587 0.9214437      0.2168982 0.8607338      0.2126852 0.3215494      1.611534  
1 1 1 -31 8  10 o 43.63158 0.6290239 19.05515       0.5487128 19.53826       0.7888597 18.60231       0.7637438 1.070309       1.258048  
1 1 1 -31 8  11 o 66.99650 0.8077542 44.97302       1.081824  44.09227       1.502197  45.92196       1.559259  -1.358994      1.615508  
1 1 1 -31 8  12 o 19.56820 0.8709579 3.312710       0.2793952 4.815272       0.6541114 2.977397       0.3090015 4.653736       1.741916  
1 1 1 -31 8  13 f 47.23891 0.6533290 22.31032       0.6165916 23.29259       0.8976827 21.43296       0.8483884 1.963787       1.306658  
1 1 1 -31 8  14 o 20.39509 0.6102612 4.155146       0.2484100 4.552335       0.3605787 3.796342       0.3427115 1.851835       1.220522  
1 1 1 -31 8  15 f 28.05704 0.6154494 7.889132       0.3433008 7.835109       0.5133729 7.932833       0.4617251 -0.1786404     1.230899  
1 1 1 -31 8  16 o 20.52575 0.7131414 4.236618       0.2916536 3.875866       0.4169718 4.582169       0.4080924 -1.721424      1.426283  
1 1 1 -31 8  17 o 12.26618 0.9405576 1.504602       0.2298194 1.325608       0.3157392 1.706289       0.3351568 -1.549145      1.881115  
1 1 1 -31 8  18 o 21.25581 0.7475457 4.519772       0.3168749 5.024168       0.4584241 4.058272       0.4384973 2.269934       1.495091  
1 1 1 -31 8  19 o 57.66698 0.8811022 33.30025       0.9750843 33.14686       1.216894  33.57542       1.629820  -0.3193207     1.762204  
1 1 1 -31 8  20 o 25.63797 0.6380493 6.591051       0.3266503 6.728721       0.4523343 6.441012       0.4722131 0.5629482      1.276099  
1 1 1 -31 8  21 f 43.03989 0.6494027 18.55685       0.5589955 18.43989       0.7906802 18.67372       0.7903979 -0.2716713     1.298805  
1 1 1 -31 8  22 o 45.27610 0.6654297 20.49381       0.6017917 21.37815       0.8786688 19.71249       0.8259037 1.834305       1.330859  
1 1 1 -31 8  23 f 39.40369 0.6421050 15.51616       0.5054004 14.58804       0.6963503 16.54925       0.7346770 -2.484978      1.284210  
1 1 1 -31 8  24 o 12.45599 0.9268564 1.559113       0.2301717 1.407562       0.3236139 1.714274       0.3274440 -1.230652      1.853713  
1 1 1 -31 8  25 o 63.15657 0.7932345 39.98398       1.001736  40.58895       1.435274  39.40938       1.398768  0.9293861      1.586469  
1 1 1 -31 8  26 f 45.50819 0.6797525 20.75550       0.6186029 20.58345       0.8797786 20.92373       0.8699771 -0.3749352     1.359505  
1 1 1 -31 8  27 f 35.24747 0.6486414 12.35534       0.4553105 13.47666       0.6835600 11.46108       0.6104391 2.851276       1.297283  
1 1 1 -31 8  28 o 70.71175 0.8633939 50.18312       1.221013  50.16939       1.732639  50.19666       1.720966  -0.2101135E-01 1.726788  
1 1 1 -31 8  29 o 15.79665 0.8622490 2.497809       0.2709341 2.880327       0.3940700 2.154908       0.3731063 2.292957       1.724498  
1 1 1 -31 8  30 f 21.30202 0.7252447 4.518903       0.3076958 5.135684       0.4549838 3.999069       0.4176984 2.663101       1.450489  
1 1 1 -31 8  31 o 17.90984 0.8056607 3.214594       0.2883747 3.391102       0.4147848 3.049457       0.4012012 0.9518604      1.611321  
1 1 1 -31 8  32 o 31.58380 0.6825849 9.970198       0.4301931 10.40577       0.6346684 9.599983       0.5851179 1.269600       1.365170  
1 1 1 -31 8  33 o 15.68069 0.9202570 2.466080       0.2880094 2.522385       0.4230309 2.417433       0.3932151 0.3296299      1.840514  
1 1 1 -31 8  34 o 16.85056 0.8598627 2.856931       0.2890298 2.638421       0.4107788 3.071178       0.4067507 -1.284761      1.719725  
1 1 1 -31 8  35 o 19.22353 0.8349521 3.700183       0.3205130 3.881425       0.4696192 3.542148       0.4385242 0.8773174      1.669904  
1 1 1 -31 8  36 f 24.67119 0.7367768 6.088175       0.3629692 6.416259       0.5318829 5.802212       0.4965671 1.239254       1.473554  
1 1 1 -31 8  37 o 29.75142 0.7104744 8.861587       0.4221179 9.162497       0.6176288 8.597830       0.5782451 0.9431229      1.420949  
1 1 1 -31 8  38 o 25.44142 0.7564657 6.480330       0.3842921 6.765604       0.5633058 6.231972       0.5255940 1.042376       1.512931  
1 1 1 -31 8  39 o 37.38871 0.7164543 13.90426       0.5332962 15.34329       0.8020836 12.76402       0.7139722 3.435326       1.432909  
1 1 1 -31 8  40 o 17.52040 0.9132063 3.081814       0.3197109 3.178771       0.4642149 2.994328       0.4409599 0.5216122      1.826413  
1 1 1 -31 8  41 o 39.37579 0.7248054 15.53087       0.5697672 15.99078       0.8357581 15.13151       0.7787988 1.081493       1.449611  
1 1 1 -31 8  42 f 52.57370 0.7791041 27.75760       0.8191603 27.68443       1.163871  27.82943       1.153138  -0.1399689     1.558208  
1 1 1 -31 8  43 o 6.196928 1.702130  0.2433094      0.3053220 0.1377349      0.4387935 0.3424031      0.4251124 -0.7154136     3.404261  
1 1 1 -31 8  44 o 23.13729 0.9931583 5.344407       0.4556812 5.063350       0.6002322 5.726762       0.7000929 -1.409389      1.986317  
1 1 1 -31 8  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 9  1  o 13.11108 1.701650  1.814343       0.4312278 0.7043537      0.5846062 3.139128       0.6386702 -9.077586      3.403300  
1 1 1 -31 9  2  o 29.46907 1.028137  8.715685       0.6056020 8.356943       0.8405526 9.102912       0.8732861 -1.260279      2.056273  
1 1 1 -31 9  3  o 22.40878 1.140708  5.052884       0.5085605 5.748846       0.7299969 4.396579       0.7088937 3.013542       2.281417  
1 1 1 -31 9  4  o 44.87583 1.016657  20.13666       0.9100772 19.00045       1.233627  21.49343       1.348059  -2.760006      2.033315  
1 1 1 -31 9  5  o 35.92647 0.9985754 12.83465       0.7139364 11.61787       0.9547137 14.37831       1.075331  -3.823849      1.997151  
1 1 1 -31 9  6  o 7.903579 1.988904  0.5371277      0.3998140 0.6882486      0.5699339 0.3906988      0.5610163 1.154405       3.977809  
1 1 1 -31 9  7  o 13.96126 1.602000  2.017937       0.4276787 2.558817       0.6150597 1.511605       0.5950925 3.947248       3.204000  
1 1 1 -31 9  8  o 25.53398 1.075065  6.517492       0.5470795 5.808620       0.7469255 7.337914       0.8035485 -2.985729      2.150130  
1 1 1 -31 9  9  o 37.59975 0.8205494 14.27020       0.5336642 14.36450       0.6169535 13.98997       1.063556  0.5496330      1.641099  
1 1 1 -31 9  10 o 32.79002 0.5625947 10.72817       0.3683016 10.02610       0.5040954 11.53206       0.5394104 -2.293472      1.125189  
1 1 1 -31 9  11 o 74.78369 0.8745351 56.10077       1.307981  55.88387       1.841423  56.32165       1.858220  -0.2905655     1.749070  
1 1 1 -31 9  12 o 33.97422 0.5805509 11.52736       0.3939421 12.24478       0.5748396 10.89206       0.5409409 1.987934       1.161102  
1 1 1 -31 9  13 o 51.76859 0.8085973 26.59409       0.8002607 27.80947       1.360772  25.95150       0.9894503 1.751045       1.617195  
1 1 1 -31 9  14 o 34.46205 0.9301189 12.09621       0.5956289 11.43014       1.044955  12.41678       0.7249256 -1.473854      1.860238  
1 1 1 -31 9  15 o 34.28321 0.7359749 11.76530       0.5042458 12.13910       0.7308103 11.42564       0.6966386 1.036873       1.471950  
1 1 1 -31 9  16 o 36.57928 0.6898549 13.29456       0.4905815 12.94516       0.6205972 13.87663       0.8009972 -1.255116      1.379710  
1 1 1 -31 9  17 o 8.354210 1.111288  0.7373999      0.1786880 0.3709594      0.2475865 1.135778       0.2581504 -4.573813      2.222576  
1 1 1 -31 9  18 o 14.23973 0.7281188 2.031211       0.2071118 1.896020       0.2894804 2.172985       0.2964444 -0.9717636     1.456238  
1 1 1 -31 9  19 o 39.27162 0.6233035 15.30342       0.4871281 16.97622       0.7346525 13.99086       0.6507579 3.793255       1.246607  
1 1 1 -31 9  20 o 39.04947 0.6295369 15.27396       0.4915297 15.26618       0.7032233 15.28139       0.6873059 -0.2094650E-01 1.259074  
1 1 1 -31 9  21 o 58.92077 0.7560514 34.65485       0.8885908 36.76909       1.316448  32.88537       1.204337  3.283100       1.512103  
1 1 1 -31 9  22 o 27.06837 0.6180682 7.336962       0.3344471 7.029990       0.4690093 7.654552       0.4770526 -1.152922      1.236136  
1 1 1 -31 9  23 o 64.31974 0.8019838 41.46537       1.031269  42.23723       1.483660  40.74387       1.434453  1.154758       1.603968  
1 1 1 -31 9  24 o 36.95020 0.6329930 13.67702       0.4677521 13.75445       0.6661296 13.60170       0.6569683 0.2057648      1.265986  
1 1 1 -31 9  25 o 44.15122 0.6663177 19.51670       0.5880251 20.01538       0.8496450 19.05825       0.8146450 1.080063       1.332635  
1 1 1 -31 9  26 o 54.55686 0.7360110 29.80109       0.8022918 30.73642       1.166619  28.96180       1.105102  1.618649       1.472022  
1 1 1 -31 9  27 o 82.75508 0.9656901 68.79670       1.598264  69.12762       2.271334  68.47213       2.249397  0.3923416      1.931380  
1 1 1 -31 9  28 f 10.72746 1.175520  1.174403       0.2442786 0.9846840      0.3377851 1.382407       0.3536875 -1.993925      2.351039  
1 1 1 -31 9  29 o 41.38222 0.6735868 17.16724       0.5570446 17.06957       0.8027687 17.25793       0.7736009 -0.2310486     1.347174  
1 1 1 -31 9  30 o 47.73561 0.7060455 22.83482       0.6738343 21.99845       0.9436675 23.70492       0.9625029 -1.785065      1.412091  
1 1 1 -31 9  31 o 46.85744 0.7020726 21.94883       0.6565585 22.93418       0.9673026 21.10708       0.8940460 1.940407       1.404145  
1 1 1 -31 9  32 o 28.60215 0.6815750 8.198800       0.3896218 8.250052       0.5623182 8.151474       0.5403547 0.1695633      1.363150  
1 1 1 -31 9  33 o 28.82278 0.6831836 8.324876       0.3935367 8.421518       0.5689011 8.236197       0.5449604 0.3183422      1.366367  
1 1 1 -31 9  34 o 10.58003 1.298659  1.152632       0.2643884 1.464980       0.3838206 0.8706074      0.3647141 2.961762       2.597317  
1 1 1 -31 9  35 o 19.10058 0.8143549 3.673846       0.3096430 3.271294       0.4383863 4.074622       0.4374179 -2.103045      1.628710  
1 1 1 -31 9  36 o 14.09121 1.000013  1.992968       0.2801131 2.311866       0.4069196 1.705757       0.3861736 2.146330       2.000026  
1 1 1 -31 9  37 o 20.02734 1.471596  4.026882       0.5815130 4.297123       0.9111919 3.841185       0.7553300 1.087130       2.943193  
1 1 1 -31 9  38 o 43.70497 0.7217999 19.11785       0.6296077 19.83683       0.9268136 18.50172       0.8579662 1.516438       1.443600  
1 1 1 -31 9  39 f 7.811528 1.368061  0.5143409      0.2701713 1.211573       0.3960343 -0.9260377E-01 0.3695036 6.278450       2.736123  
1 1 1 -31 9  40 o 41.77148 0.7177520 17.45790       0.5984331 18.26629       0.8808174 16.76484       0.8155683 1.786369       1.435504  
1 1 1 -31 9  41 o 41.33320 0.7306876 17.13484       0.6032052 17.37676       0.8789644 16.91949       0.8293206 0.5442963      1.461375  
1 1 1 -31 9  42 o 35.48129 0.7276036 12.64444       0.5158723 12.42033       0.7412875 12.85490       0.7183598 -0.6165886     1.455207  
1 1 1 -31 9  43 o 26.37813 0.8653706 6.964473       0.4542017 6.719482       0.6078775 7.274131       0.6834135 -1.035398      1.730741  
1 1 1 -31 9  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 10 1  o 25.10485 1.111469  6.337914       0.5579250 6.187461       0.7787767 6.496556       0.7996892 -0.6115398     2.222937  
1 1 1 -31 10 2  o 10.10614 1.939752  1.052196       0.4231863 1.530001       0.6055000 0.5959375      0.5916906 3.875505       3.879504  
1 1 1 -31 10 3  o 44.58469 1.030062  19.95443       0.9175888 19.47108       1.264325  20.49234       1.333793  -1.133244      2.060124  
1 1 1 -31 10 4  o 57.22565 1.119332  32.72235       1.275214  30.80951       1.706917  35.13854       1.918401  -3.743565      2.238664  
1 1 1 -31 10 5  o 28.66705 1.067271  8.258012       0.6086766 9.433170       0.8767800 7.164791       0.8456606 3.951139       2.134542  
1 1 1 -31 10 6  o 42.49965 1.024317  18.07399       0.8686826 17.09754       1.180815  19.22582       1.282477  -2.487595      2.048633  
1 1 1 -31 10 7  f 25.58431 1.074828  6.549890       0.5473149 5.697998       0.7497694 7.521662       0.8007874 -3.555637      2.149655  
1 1 1 -31 10 8  o 7.719655 1.957370  0.4749290      0.4013228 0.1584488      0.5770554 0.7713951      0.5585110 -2.151441      3.914740  
1 1 1 -31 10 9  o 32.96436 1.023136  10.81361       0.6707725 9.401122       0.9043669 12.54085       1.000067  -4.747671      2.046272  
1 1 1 -31 10 10 o 26.20510 1.553253  0.000000       0.000000  ?              ?         6.901938       0.8140629 ?              ?         
1 1 1 -31 10 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 10 12 o 7.927499 0.9182418 0.6416726      0.1374956 0.9071547      0.2039090 0.4203185      0.1861927 3.171100       1.836484  
1 1 1 -31 10 13 o 27.15401 0.6304816 7.396171       0.3419124 7.713698       0.4784248 7.064699       0.4888169 1.196001       1.260963  
1 1 1 -31 10 14 o 45.92065 0.6483608 21.12516       0.5954264 21.23703       0.8388168 21.01154       0.8453414 0.2461395      1.296722  
1 1 1 -31 10 15 o 21.14222 0.5884464 4.475657       0.2487988 4.399188       0.3493836 4.554327       0.3543788 -0.3664589     1.176893  
1 1 1 -31 10 16 o 48.64508 1.061926  23.77429       1.033093  24.12881       1.466702  23.42521       1.455391  0.7214127      2.123852  
1 1 1 -31 10 17 o 22.35821 0.5995430 5.005816       0.2680381 4.863896       0.3768159 5.151175       0.3813511 -0.6420364     1.199086  
1 1 1 -31 10 18 o 45.76175 0.6586981 20.83307       0.6005288 22.70703       0.8987884 19.32181       0.8071371 3.689613       1.317396  
1 1 1 -31 10 19 o 32.04419 0.6034505 10.28079       0.3865522 9.836552       0.5414876 10.74244       0.5519988 -1.412533      1.206901  
1 1 1 -31 10 20 o 50.13297 0.6903397 25.11260       0.6909958 26.44536       1.014098  23.95752       0.9440857 2.473698       1.380679  
1 1 1 -31 10 21 o 35.83793 0.6230250 12.85146       0.4462393 13.24457       0.6462004 12.49312       0.6169693 1.045498       1.246050  
1 1 1 -31 10 22 o 49.53688 0.6906992 24.59223       0.6842852 24.36651       0.9644189 24.82107       0.9710661 -0.4580536     1.381398  
1 1 1 -31 10 23 o 22.82398 0.6415814 5.210828       0.2923743 5.656840       0.4221843 4.799793       0.4052922 1.875692       1.283163  
1 1 1 -31 10 24 o 41.72436 0.6545807 17.44604       0.5461774 17.41125       0.7778656 17.47987       0.7670705 -0.8344650E-01 1.309161  
1 1 1 -31 10 25 o 29.42048 0.6365578 8.607072       0.3731305 9.574078       0.5563344 7.816425       0.5030519 2.981195       1.273116  
1 1 1 -31 10 26 o 57.06038 0.7525632 32.64670       0.8587771 32.27171       1.206440  33.03187       1.222712  -0.6639481     1.505126  
1 1 1 -31 10 27 o 60.60151 0.7797451 36.83027       0.9449875 36.33850       1.325599  37.33842       1.347498  -0.8219833     1.559490  
1 1 1 -31 10 28 o 72.23241 0.8783257 52.32930       1.268204  50.95523       1.758929  53.81702       1.830217  -1.969894      1.756651  
1 1 1 -31 10 29 o 43.74284 0.6857570 19.16021       0.5995587 18.25428       0.8342527 20.12797       0.8622485 -2.138283      1.371514  
1 1 1 -31 10 30 o 26.87207 0.6749704 7.244410       0.3624329 7.004765       0.5175351 7.475053       0.5077208 -0.8762550     1.349941  
1 1 1 -31 10 31 o 28.50205 0.6643550 8.140502       0.3781410 8.182816       0.5507158 8.102757       0.5201376 0.1366215      1.328710  
1 1 1 -31 10 32 f 20.84794 0.7426637 4.370335       0.3087507 4.014691       0.4389510 4.718586       0.4343641 -1.688828      1.485327  
1 1 1 -31 10 33 o 16.31086 0.8687146 2.683301       0.2821403 2.487409       0.4081502 2.862571       0.3904512 -1.153085      1.737429  
1 1 1 -31 10 34 o 38.79443 0.6848964 15.08144       0.5309751 14.25069       0.7418898 15.95387       0.7602720 -2.192600      1.369793  
1 1 1 -31 10 35 o 37.99048 0.6886286 14.46826       0.5225066 14.58167       0.7604667 14.36684       0.7191360 0.2766685      1.377257  
1 1 1 -31 10 36 o 24.89989 0.7450128 6.248050       0.3688563 5.491807       0.5229090 6.997004       0.5203832 -3.022913      1.490026  
1 1 1 -31 10 37 o 23.64493 0.7680529 5.609942       0.3625506 5.635283       0.5294608 5.587570       0.4974803 0.9548569E-01  1.536106  
1 1 1 -31 10 38 f 9.214638 1.536675  0.9008894      0.2792909 0.7875642      0.4037187 1.004904       0.3867796 -1.131309      3.073351  
1 1 1 -31 10 39 o 40.00279 0.7175213 16.05234       0.5737793 15.36893       0.8048517 16.75863       0.8182062 -1.734779      1.435043  
1 1 1 -31 10 40 o 35.87975 0.7223157 12.91572       0.5175294 12.99477       0.7541786 12.84536       0.7114804 0.2006721      1.444631  
1 1 1 -31 10 41 o 54.16113 0.7842055 29.39869       0.8485413 27.93012       1.168578  31.03668       1.234141  -2.854923      1.568411  
1 1 1 -31 10 42 o 39.48282 0.7465074 15.62423       0.5888900 16.18515       0.8566591 15.12168       0.8108594 1.338409       1.493015  
1 1 1 -31 10 43 o 62.63762 2.271467  0.000000       0.000000  ?              ?         39.95670       2.845586  ?              ?         
1 1 1 -31 11 1  o 18.46635 1.371740  3.446361       0.5052734 3.752277       0.7172713 3.145020       0.7118881 1.642927       2.743480  
1 1 1 -31 11 2  o 51.65216 1.091092  26.80255       1.125865  26.14215       1.548758  27.54264       1.639546  -1.338245      2.182184  
1 1 1 -31 11 3  o 47.06227 1.059665  21.94418       0.9894202 19.69318       1.302917  25.01056       1.520693  -5.608688      2.119330  
1 1 1 -31 11 4  o 50.23286 1.074337  25.38139       1.079140  25.88346       1.523751  24.87617       1.528528  1.003521       2.148674  
1 1 1 -31 11 5  o 62.36714 1.177135  38.97874       1.463247  37.09758       1.972829  41.27904       2.181568  -3.309818      2.354269  
1 1 1 -31 11 6  o 15.02673 1.699872  2.392867       0.4715692 3.526556       0.6837248 1.364288       0.6512582 7.354623       3.399744  
1 1 1 -31 11 7  o 21.76782 1.229110  4.771163       0.5343530 4.437587       0.7478629 5.119078       0.7637667 -1.562094      2.458219  
1 1 1 -31 11 8  o 37.38771 1.477654  0.000000       0.000000  ?              ?         14.04966       1.104922  ?              ?         
1 1 1 -31 11 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 11 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 11 11 o 31.04567 1.502542  9.687564       0.9329482 9.687564       0.9329482 ?              ?         ?              ?         
1 1 1 -31 11 12 o 16.26305 1.498956  2.696268       0.4820703 2.267279       0.6887189 3.108324       0.6749893 -2.588997      2.997911  
1 1 1 -31 11 13 f 7.173590 1.919762  0.2006077      0.4176950 0.7702344      0.6096166 -0.3034531     0.5734599 3.439815       3.839525  
1 1 1 -31 11 14 o 41.73933 0.6188866 17.42486       0.5162317 16.73031       0.7133639 18.18846       0.7479898 -1.743317      1.237773  
1 1 1 -31 11 15 o 30.49198 0.5760545 9.310093       0.3512386 9.385406       0.5022601 9.238010       0.4913716 0.2406940      1.152109  
1 1 1 -31 11 16 f 23.19962 0.5847124 5.394137       0.2710528 5.294038       0.3895902 5.488048       0.3773555 -0.4192829     1.169425  
1 1 1 -31 11 17 o 38.05992 0.6182051 14.38947       0.4684047 15.82289       0.7049003 13.25606       0.6268042 3.364223       1.236410  
1 1 1 -31 11 18 o 26.51776 0.6053647 7.042998       0.3204611 7.059227       0.4679329 7.028662       0.4397772 0.5482483E-01  1.210729  
1 1 1 -31 11 19 o 50.27567 0.6914462 25.31530       0.6949481 25.93591       1.001286  24.73849       0.9653108 1.186687       1.382892  
1 1 1 -31 11 20 o 14.74326 0.7268448 2.186942       0.2129529 2.482859       0.3022324 1.895184       0.3001008 1.992767       1.453690  
1 1 1 -31 11 21 o 43.94950 0.6556183 19.35459       0.5762587 19.54713       0.8192977 19.16608       0.8106765 0.4325256      1.311237  
1 1 1 -31 11 22 o 20.83696 0.6452243 4.341575       0.2684870 4.689860       0.3888598 4.024283       0.3711546 1.595112       1.290449  
1 1 1 -31 11 23 o 21.21868 0.6524410 4.502032       0.2758186 3.977105       0.3809763 5.080229       0.3998398 -2.597260      1.304882  
1 1 1 -31 11 24 f 28.27575 0.6323462 7.959310       0.3564193 8.840487       0.5281798 7.222569       0.4829566 2.855927       1.264692  
1 1 1 -31 11 25 o 9.410011 1.191798  0.9080875      0.2191261 0.9426053      0.3040078 0.8707619      0.3161297 0.5381098      2.383596  
1 1 1 -31 11 26 o 40.65704 0.6596596 16.46089       0.5346162 17.94386       0.7961501 15.24305       0.7214766 3.312737       1.319319  
1 1 1 -31 11 27 o 46.86113 0.6931678 22.01073       0.6495593 22.13116       0.9275581 21.89484       0.9099265 0.2499657      1.386336  
1 1 1 -31 11 28 o 29.09352 0.6628564 8.396323       0.3835873 9.670248       0.5749152 7.374207       0.5149704 3.938763       1.325713  
1 1 1 -31 11 29 f 45.63792 0.6958320 20.84182       0.6345239 19.84252       0.8756245 21.94683       0.9207821 -2.299576      1.391664  
1 1 1 -31 11 30 o 33.43575 0.6664805 11.15523       0.4446465 12.03627       0.6560294 10.40656       0.6047465 2.430485       1.332961  
1 1 1 -31 11 31 o 12.33224 1.053481  1.534335       0.2566666 1.852347       0.3697849 1.238695       0.3565400 2.485271       2.106961  
1 1 1 -31 11 32 o 27.88853 0.6802664 7.790883       0.3789952 7.939976       0.5514365 7.657409       0.5217547 0.5025654      1.360533  
1 1 1 -31 11 33 o 15.80454 0.9184037 2.504884       0.2872122 3.031052       0.4188501 2.037895       0.3945931 3.137463       1.836807  
1 1 1 -31 11 34 o 20.26839 0.7920826 4.104739       0.3202746 4.515008       0.4706017 3.750767       0.4371224 1.879498       1.584165  
1 1 1 -31 11 35 o 21.32566 0.7903714 4.575335       0.3356851 4.072554       0.4726759 5.086954       0.4768121 -2.377628      1.580743  
1 1 1 -31 11 36 o 13.42342 1.068949  1.817194       0.2865575 1.722386       0.4080910 1.909410       0.4024745 -0.6979523     2.137899  
1 1 1 -31 11 37 o 10.94831 1.325394  1.245809       0.2801596 1.049574       0.4031234 1.429128       0.3896320 -1.911085      2.650787  
1 1 1 -31 11 38 o 29.87374 0.7950428 8.925378       0.4713087 8.684508       0.6248208 9.243349       0.7178915 -0.9180565     1.590086  
1 1 1 -31 11 39 o 19.60716 0.8440068 3.854861       0.3303735 4.000772       0.4850622 3.728606       0.4512097 0.6870098      1.688014  
1 1 1 -31 11 40 o 39.53170 0.7312691 15.67060       0.5774210 14.58546       0.8036717 16.82848       0.8301660 -2.832119      1.462538  
1 1 1 -31 11 41 o 26.83757 0.8408199 7.191459       0.4482149 6.868060       0.5945758 7.617145       0.6821541 -1.377626      1.681640  
1 1 1 -31 11 42 o 41.49128 1.908469  0.000000       0.000000  ?              ?         17.43921       1.583696  ?              ?         
1 1 1 -31 12 1  o 46.16982 1.071915  21.44692       0.9893066 21.64908       1.381301  21.23399       1.417586  0.4565125      2.143830  
1 1 1 -31 12 2  o 33.19450 1.077331  11.05434       0.7133393 10.71260       0.9683430 11.45985       1.054824  -1.109001      2.154661  
1 1 1 -31 12 3  o 51.97061 1.101150  27.16771       1.144139  26.97868       1.594490  27.36835       1.642702  -0.3655090     2.202300  
1 1 1 -31 12 4  o 31.33847 1.097108  9.889053       0.6857259 10.00998       0.9387961 9.750748       1.004011  0.4262009      2.194217  
1 1 1 -31 12 5  o 10.53645 2.146297  1.161525       0.4769250 1.120240       0.6709292 1.203693       0.6780753 -0.3345337     4.292593  
1 1 1 -31 12 6  o 18.86982 1.974976  0.000000       0.000000  ?              ?         3.595303       0.7453488 ?              ?         
1 1 1 -31 12 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 12 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 12 9  o 17.63084 1.674070  3.123452       0.5753807 3.029817       0.7309586 3.275980       0.9329241 -0.6391983     3.348140  
1 1 1 -31 12 10 f 35.09782 1.064741  12.38854       0.7473289 12.54363       1.054563  12.23208       1.059218  0.4447060      2.129483  
1 1 1 -31 12 11 o 23.68377 1.225191  5.613669       0.5714372 4.366254       0.7751639 7.098445       0.8457044 -5.753250      2.450383  
1 1 1 -31 12 12 o 12.39234 1.850247  1.565285       0.4604197 2.441059       0.6889827 0.8586066      0.6189039 6.276464       3.700493  
1 1 1 -31 12 13 o 64.32713 1.213428  41.36870       1.552631  38.88649       2.069109  44.56762       2.348913  -4.357010      2.426856  
1 1 1 -31 12 14 o 20.35607 1.349305  4.183507       0.5445055 3.486883       0.7555281 4.936378       0.7854368 -3.553417      2.698609  
1 1 1 -31 12 15 f 58.69231 0.9813242 34.46968       1.042479  34.28019       1.233504  34.94333       1.950199  -0.4456444     1.962648  
1 1 1 -31 12 16 o 43.57120 1.065762  19.08766       0.9286531 19.40330       1.322503  18.78064       1.304314  0.7111549      2.131523  
1 1 1 -31 12 17 o 37.66388 1.058411  14.26109       0.7971885 14.49991       1.137424  14.03050       1.117626  0.6194954      2.116822  
1 1 1 -31 12 18 o 23.99711 1.184603  5.798331       0.5682846 6.035417       0.8083716 5.566676       0.7990608 0.9747257      2.369205  
1 1 1 -31 12 19 o 52.91354 0.9955530 27.73164       1.005048  29.47285       1.722458  26.83277       1.237567  2.410374       1.991106  
1 1 1 -31 12 20 o 57.65509 0.8225268 33.26193       0.9316952 33.83583       1.467268  32.87419       1.206041  0.7962341      1.645054  
1 1 1 -31 12 21 o 39.11670 0.6379279 15.29956       0.4984315 15.96997       0.7278271 14.70747       0.6839905 1.608841       1.275856  
1 1 1 -31 12 22 o 52.33588 0.7151833 27.44065       0.7481508 28.00377       1.080609  26.92224       1.036838  1.027737       1.430367  
1 1 1 -31 12 23 o 25.50245 0.6399394 6.478577       0.3251863 6.958414       0.4862028 6.090195       0.4374213 1.696709       1.279879  
1 1 1 -31 12 24 f 11.86228 0.9445205 1.412392       0.2229515 1.423798       0.3330352 1.403128       0.3001283 0.8160782E-01  1.889041  
1 1 1 -31 12 25 f 27.19466 0.6648186 7.289071       0.3583924 8.404287       0.5531677 6.482285       0.4704962 3.523905       1.329637  
1 1 1 -31 12 26 o 20.92969 0.7368810 4.431554       0.3056643 3.869873       0.4414918 4.948661       0.4236117 -2.579563      1.473762  
1 1 1 -31 12 27 o 48.03753 0.7043265 23.04532       0.6749781 24.40535       0.9988428 21.90230       0.9156944 2.594315       1.408653  
1 1 1 -31 12 28 o 16.70447 0.8649441 2.795095       0.2863006 2.850424       0.4374407 2.753636       0.3786692 0.2798920      1.729888  
1 1 1 -31 12 29 o 37.57960 0.6786597 14.09506       0.5084008 14.91846       0.7570949 13.41883       0.6861095 1.985733       1.357319  
1 1 1 -31 12 30 o 7.391545 1.718987  0.3953511      0.2816017 0.8966506      0.5323064 0.2005327      0.3318394 3.777894       3.437974  
1 1 1 -31 12 31 o 23.54396 0.7096788 5.553194       0.3339899 5.760370       0.4818722 5.361647       0.4633389 0.8440895      1.419358  
1 1 1 -31 12 32 o 37.70792 0.6851408 14.16814       0.5146171 15.26430       0.7713354 13.28879       0.6908546 2.607647       1.370282  
1 1 1 -31 12 33 o 44.23275 0.7117865 19.59780       0.6286013 20.11849       0.9209883 19.14369       0.8600863 1.092216       1.423573  
1 1 1 -31 12 34 o 25.15524 0.7220271 6.342990       0.3624205 6.427192       0.5324128 6.270284       0.4947383 0.3058681      1.444054  
1 1 1 -31 12 35 o 47.63182 0.7314839 22.71370       0.6958458 23.68789       1.017820  21.85878       0.9534770 1.909603       1.462968  
1 1 1 -31 12 36 o 28.65175 0.7150492 8.209377       0.4089913 8.687302       0.6011400 7.797497       0.5580615 1.545744       1.430098  
1 1 1 -31 12 37 o 8.315766 1.562307  0.7292414      0.2651958 0.6583407      0.3812944 0.7956761      0.3690904 -0.7339234     3.124614  
1 1 1 -31 12 38 o 39.45546 1.178689  15.69771       0.9281804 16.05537       1.363406  15.38876       1.267163  0.8164101      2.357378  
1 1 1 -31 12 39 f 7.540994 1.551559  0.5377089      0.2749594 0.9493255      0.3972444 0.1591304      0.3809688 3.883204       3.103118  
1 1 1 -31 12 40 o 22.59368 0.9735273 5.136600       0.4396844 4.910588       0.6162972 5.370880       0.6274687 -1.015974      1.947055  
1 1 1 -31 12 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 13 1  o 7.045567 2.081234  0.9589694E-01  0.4941580 0.2616604      0.6936057 -0.7497138E-01 0.7042047 0.8038816      4.162469  
1 1 1 -31 13 2  o 27.14144 1.158882  7.403006       0.6283326 7.087462       0.8634257 7.758229       0.9161051 -1.224241      2.317765  
1 1 1 -31 13 3  o 14.09247 1.859939  2.037177       0.5050346 1.295862       0.6770133 2.967291       0.7583393 -6.049161      3.719878  
1 1 1 -31 13 4  o 27.68933 1.741080  0.000000       0.000000  ?              ?         7.726434       0.9641864 ?              ?         
1 1 1 -31 13 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 13 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 13 7  o 16.55995 1.775180  2.773515       0.5770838 2.723640       0.7449505 2.848358       0.9125624 -0.3240776     3.550359  
1 1 1 -31 13 8  o 7.529148 2.064187  0.3734067      0.4446594 0.4446626      0.6256053 0.3006562      0.6321324 0.4342241      4.128374  
1 1 1 -31 13 9  o 20.00400 1.382035  4.034970       0.5519207 4.386528       0.7945020 3.707093       0.7672772 1.691616       2.764069  
1 1 1 -31 13 10 o 7.120538 1.981450  0.2085058      0.4370601 0.5977774      0.6226273 -0.1696375     0.6136630 2.297031       3.962899  
1 1 1 -31 13 11 o 16.65926 1.538328  2.808021       0.5125313 2.802667       0.7215969 2.813472       0.7281042 -0.3066254E-01 3.076657  
1 1 1 -31 13 12 f 20.67468 1.300607  4.313421       0.5370944 4.052481       0.7581531 4.576315       0.7609872 -1.266201      2.601215  
1 1 1 -31 13 13 o 23.71445 1.218373  5.667189       0.5765749 6.165863       0.8227033 5.185838       0.8082879 2.063213       2.436745  
1 1 1 -31 13 14 o 23.88473 1.221703  5.729831       0.5826601 5.333232       0.8004840 6.176730       0.8497308 -1.755163      2.443407  
1 1 1 -31 13 15 o 24.54371 1.181820  6.032447       0.5785193 5.542373       0.7856142 6.613039       0.8550944 -2.166662      2.363640  
1 1 1 -31 13 16 o 51.24457 1.121212  26.33333       1.147132  28.25361       1.680290  24.65706       1.569908  3.487370       2.242425  
1 1 1 -31 13 17 o 11.14703 0.7019197 1.199058       0.1530149 1.626354       0.2422768 0.9155185      0.1973574 3.182929       1.403839  
1 1 1 -31 13 18 o 63.34811 0.7927459 40.22465       1.003889  41.23084       1.447640  39.29251       1.393344  1.522297       1.585492  
1 1 1 -31 13 19 f 52.48305 0.7112204 27.60320       0.7463857 27.02164       1.042973  28.21368       1.068591  -1.132420      1.422441  
1 1 1 -31 13 20 o 85.20110 1.463759  73.36981       2.494137  73.03555       3.505568  73.71246       3.549324  -0.3858719     2.927519  
1 1 1 -31 13 21 o 65.56670 0.8150039 43.07664       1.067889  44.56419       1.548571  41.72783       1.474590  2.152176       1.630008  
1 1 1 -31 13 22 o 39.12286 0.8968403 15.79569       0.6328236 16.40706       0.7558611 14.36275       1.157189  2.675373       1.793681  
1 1 1 -31 13 23 o 93.08104 1.337931  87.88985       2.332411  88.73772       2.846632  86.15791       4.068520  1.680305       2.675862  
1 1 1 -31 13 24 o 29.11858 0.9829607 8.170559       0.5409200 7.519046       0.6533844 9.589809       0.9643543 -3.498560      1.965921  
1 1 1 -31 13 25 o 31.32576 1.122497  9.879797       0.7031287 9.893642       1.004474  9.866495       0.9845732 0.3905106E-01  2.244993  
1 1 1 -31 13 26 o 21.64166 1.391600  4.808004       0.5902721 3.766980       0.8432230 5.808311       0.8265678 -4.720659      2.783200  
1 1 1 -31 13 27 o 30.40596 1.143869  9.313688       0.6955569 9.270152       0.9883012 9.356418       0.9790953 -0.1439476     2.287738  
1 1 1 -31 13 28 o 22.64704 1.320842  5.180655       0.5980332 5.131394       0.8552364 5.227789       0.8365659 -0.2177505     2.641683  
1 1 1 -31 13 29 o 38.27586 1.124623  14.74811       0.8601267 13.88526       1.201304  15.65576       1.232086  -2.305756      2.249245  
1 1 1 -31 13 30 o 20.05723 1.492370  4.156739       0.5864892 3.504725       0.8738964 4.691072       0.7911109 -2.983479      2.984740  
1 1 1 -31 13 31 o 19.56115 1.555619  3.958238       0.5965559 3.344076       0.8877517 4.463919       0.8055419 -2.890505      3.111238  
1 1 1 -31 13 32 o 38.82912 1.022167  14.65659       0.7380881 16.58274       1.349193  13.83396       0.8817264 3.434277       2.044334  
1 1 1 -31 13 33 o 27.35987 1.143578  7.621224       0.5711898 7.361623       1.039654  7.733462       0.6836036 -0.7670860     2.287155  
1 1 1 -31 13 34 o 49.95295 1.059250  24.82273       1.003480  26.10202       1.737382  24.18232       1.229254  1.800858       2.118500  
1 1 1 -31 13 35 f 38.45224 1.197184  14.94426       0.9180179 13.56965       1.292254  16.34478       1.304377  -3.605160      2.394367  
1 1 1 -31 13 36 o 14.40575 2.123505  2.199909       0.5810783 2.273188       0.9281303 2.152670       0.7451980 0.2665548      4.247010  
1 1 1 -31 13 37 f 25.18708 1.421784  6.439255       0.7107080 6.404200       1.071653  6.466778       0.9495697 -0.1679668     2.843568  
1 1 1 -31 13 38 f 27.63606 1.777982  7.342442       0.9362679 9.363475       1.656697  6.394055       1.134878  5.143478       3.555964  
1 1 1 -31 13 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 13 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 14 1  f 10.60804 2.267324  1.157994       0.5223957 0.9961522      0.7128055 1.345779       0.7678159 -1.365172      4.534649  
1 1 1 -31 14 2  f 41.11676 1.385634  17.30821       1.078717  16.38293       1.823772  17.80609       1.337822  -1.862072      2.771269  
1 1 1 -31 14 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 14 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 14 5  o 9.270900 2.366670  0.7535663      0.5498773 0.7917609      0.6888117 0.6864601      0.9130204 -0.2688618     4.733340  
1 1 1 -31 14 6  o 20.66907 1.404773  4.322670       0.5795202 4.419869       0.8000644 4.215379       0.8405652 0.5053921      2.809545  
1 1 1 -31 14 7  o 7.309758 2.104001  0.2251531      0.4837945 0.1998901      0.6994923 0.2483201      0.6698476 -0.4297256E-02 4.208002  
1 1 1 -31 14 8  o 21.58315 1.368082  4.706511       0.5876890 4.121708       0.8201923 5.323545       0.8424917 -2.778608      2.736164  
1 1 1 -31 14 9  o 28.96119 1.153285  8.445373       0.6679484 8.590184       0.9458629 8.301319       0.9433855 0.4981880      2.306569  
1 1 1 -31 14 10 f 44.68639 1.112149  20.04262       0.9924896 21.57414       1.443475  18.66939       1.366842  3.234673       2.224298  
1 1 1 -31 14 11 o 25.04086 1.259622  6.310117       0.6302724 5.997744       0.8710122 6.653454       0.9131604 -1.299679      2.519243  
1 1 1 -31 14 12 o 61.93179 1.219530  38.49811       1.507568  41.20937       2.217105  36.16647       2.056041  4.035870       2.439060  
1 1 1 -31 14 13 o 22.08634 1.332056  4.913178       0.5865670 5.478440       0.8483628 4.395461       0.8119001 2.442955       2.664113  
1 1 1 -31 14 14 o 17.56943 1.535262  3.123459       0.5384239 3.132533       0.7867658 3.115466       0.7384240 0.3518105E-01  3.070523  
1 1 1 -31 14 15 o 24.37995 1.242107  5.978688       0.6050301 6.330121       0.8778418 5.660685       0.8350451 1.363310       2.484214  
1 1 1 -31 14 16 o 26.58749 1.187428  7.136601       0.6295264 6.860363       0.9153298 7.384547       0.8671890 -0.9961319     2.374856  
1 1 1 -31 14 17 o 44.31656 1.099993  19.75863       0.9748586 19.50263       1.366818  20.02370       1.390812  -0.5830688     2.199986  
1 1 1 -31 14 18 o 9.125965 0.7453045 0.8498740      0.1307313 0.7792229      0.2121153 0.8931492      0.1660092 -0.6304026     1.490609  
1 1 1 -31 14 19 o 33.59305 0.5997675 11.26791       0.4019641 11.83305       0.5943531 10.79155       0.5456861 1.544743       1.199535  
1 1 1 -31 14 20 o 15.15896 0.7210831 2.376455       0.2118562 1.851309       0.3157615 2.806392       0.2857076 -3.154197      1.442166  
1 1 1 -31 14 21 o 39.70316 1.119203  15.83106       0.8876199 16.78507       1.293102  14.98104       1.220601  2.256390       2.238405  
1 1 1 -31 14 22 o 33.96989 0.6255688 11.57161       0.4247412 11.24890       0.6055358 11.88417       0.5959288 -0.9362221     1.251138  
1 1 1 -31 14 23 o 27.08166 0.6369853 7.361274       0.3444399 7.118396       0.4963779 7.586825       0.4783455 -0.8671131     1.273971  
1 1 1 -31 14 24 o 32.35085 0.6370820 10.47605       0.4117274 10.75967       0.5996826 10.22313       0.5662920 0.8250198      1.274164  
1 1 1 -31 14 25 o 20.06642 0.7245750 4.075704       0.2879125 3.500290       0.4139298 4.615005       0.4007303 -2.779457      1.449150  
1 1 1 -31 14 26 o 14.17102 0.9164724 2.047823       0.2558198 1.718363       0.3728148 2.340984       0.3516774 -2.200672      1.832945  
1 1 1 -31 14 27 f 18.82871 0.7459782 3.556815       0.2798041 3.557660       0.4145489 3.556108       0.3792133 -0.1392365E-02 1.491956  
1 1 1 -31 14 28 o 40.03706 0.6877686 16.06888       0.5503901 15.29712       0.7699103 16.87552       0.7871129 -1.968586      1.375537  
1 1 1 -31 14 29 o 67.83255 0.8588687 46.22821       1.165154  46.06462       1.651960  46.39015       1.643624  -0.2415543     1.717737  
1 1 1 -31 14 30 o 38.78557 0.6913544 15.09380       0.5359567 14.90908       0.7689084 15.26836       0.7474609 -0.4664497     1.382709  
1 1 1 -31 14 31 o 45.48409 0.7250195 20.76545       0.6591652 20.40747       0.9430430 21.10742       0.9217233 -0.7728539     1.450039  
1 1 1 -31 14 32 o 31.74727 0.7090391 10.13271       0.4492346 9.606214       0.6448715 10.62911       0.6261687 -1.613979      1.418078  
1 1 1 -31 14 33 o 37.32079 0.7134589 13.99136       0.5317368 13.61100       0.7668338 14.34364       0.7379749 -0.9863319     1.426918  
1 1 1 -31 14 34 o 8.072622 1.668373  0.6625161      0.2816018 0.7592012      0.4479811 0.5993540      0.3620829 0.9235301      3.336747  
1 1 1 -31 14 35 o 13.90311 1.157687  1.989644       0.3136370 1.750655       0.4841465 2.162466       0.4117060 -1.501757      2.315375  
1 1 1 -31 14 36 o 19.98493 1.041284  4.012598       0.4107091 4.096845       0.6373982 3.952786       0.5370652 0.3344784      2.082568  
1 1 1 -31 14 37 o 19.02147 1.112567  3.650439       0.4195857 3.638622       0.6359421 3.659549       0.5583654 -0.7602692E-01 2.225134  
1 1 1 -31 14 38 f 16.89991 1.582690  0.000000       0.000000  ?              ?         2.881625       0.5349463 ?              ?         
1 1 1 -31 15 1  o 59.67143 2.812752  0.000000       0.000000  ?              ?         36.48442       3.356819  ?              ?         
1 1 1 -31 15 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 15 3  o 14.12699 2.932552  2.117888       0.8008740 2.117888       0.8008740 ?              ?         ?              ?         
1 1 1 -31 15 4  o 17.06040 1.693690  2.938342       0.5756001 2.612220       0.7812951 3.325467       0.8512382 -2.066498      3.387380  
1 1 1 -31 15 5  o 10.98293 2.200018  1.271624       0.5073380 1.422101       0.7174252 1.121097       0.7175433 1.164147       4.400037  
1 1 1 -31 15 6  o 23.95060 1.325536  5.804112       0.6328693 5.948585       0.8673660 5.639632       0.9254829 0.6603165      2.651072  
1 1 1 -31 15 7  o 41.96007 1.126652  17.73179       0.9453703 17.70621       1.326106  17.75823       1.348075  -0.5706406E-01 2.253304  
1 1 1 -31 15 8  o 45.44832 1.127525  20.80774       1.024630  21.17692       1.442501  20.43177       1.455680  0.8227234      2.255051  
1 1 1 -31 15 9  o 44.91416 1.140245  20.32833       1.023757  20.72086       1.434857  19.92130       1.461120  0.8960075      2.280490  
1 1 1 -31 15 10 o 38.70868 1.124899  15.08550       0.8704880 14.97813       1.211452  15.20012       1.251644  -0.2778702     2.249797  
1 1 1 -31 15 11 o 70.06920 1.310913  49.56643       1.836982  49.91765       2.590066  49.21093       2.605775  0.5083313      2.621825  
1 1 1 -31 15 12 f 41.98265 1.124130  17.70430       0.9423788 16.99908       1.289060  18.51388       1.381150  -1.783871      2.248260  
1 1 1 -31 15 13 o 16.30768 1.692537  2.701189       0.5519241 2.630406       0.7768571 2.773329       0.7842729 -0.4357605     3.385073  
1 1 1 -31 15 14 o 54.94921 1.175383  30.39157       1.290663  29.66097       1.782104  31.19752       1.871741  -1.377598      2.350767  
1 1 1 -31 15 15 o 21.63129 1.373649  4.758983       0.5878703 3.956829       0.8300779 5.566167       0.8326765 -3.719242      2.747299  
1 1 1 -31 15 16 o 35.33282 1.130051  12.54943       0.7975036 13.48969       1.153224  11.68762       1.104062  2.539238       2.260102  
1 1 1 -31 15 17 o 25.73343 1.250953  6.672267       0.6428184 7.213540       0.9249327 6.166570       0.8940201 2.026640       2.501905  
1 1 1 -31 15 18 o 13.52683 1.968357  1.935446       0.5148255 1.878818       0.7290175 1.991782       0.7271326 -0.4252892     3.936714  
1 1 1 -31 15 19 o 33.84701 1.144668  11.45660       0.7718045 10.23473       1.044734  12.92467       1.145157  -3.950827      2.289335  
1 1 1 -31 15 20 o 24.30687 0.5868324 5.921078       0.2848693 5.893676       0.4136298 5.945801       0.3929012 -0.1096497     1.173665  
1 1 1 -31 15 21 o 37.83880 0.6326858 14.27286       0.4775079 13.13121       0.6486810 15.62320       0.7054859 -3.285721      1.265372  
1 1 1 -31 15 22 o 16.31228 1.719762  2.692275       0.5586635 3.067746       0.8194230 2.366167       0.7636602 2.131185       3.439524  
1 1 1 -31 15 23 o 27.15554 0.6297489 7.368867       0.3405891 7.625182       0.5089337 7.160964       0.4583580 0.8481922      1.259498  
1 1 1 -31 15 24 o 18.82346 0.6950082 3.525200       0.2603603 3.837820       0.3927748 3.280165       0.3477356 1.474627       1.390016  
1 1 1 -31 15 25 o 9.125277 1.232939  0.8502613      0.2143623 0.9918936      0.3355401 0.7525936      0.2786368 1.270517       2.465879  
1 1 1 -31 15 26 o 26.07480 0.6640242 6.815985       0.3451111 6.841196       0.5099080 6.794675       0.4688009 0.8310890E-01  1.328048  
1 1 1 -31 15 27 o 6.776889 1.506912  0.4535519      0.2252290 0.5181180      0.3492141 0.4075648      0.2947188 0.7470031      3.013825  
1 1 1 -31 15 28 o 56.47245 0.7712134 31.99629       0.8706096 32.40826       1.254390  31.61340       1.209303  0.6961021      1.542427  
1 1 1 -31 15 29 o 23.17635 0.7440330 5.400812       0.3425901 5.293228       0.5121752 5.487921       0.4608673 -0.4285049     1.488066  
1 1 1 -31 15 30 o 41.44519 0.7065334 17.17296       0.5838811 17.96286       0.8668354 16.51692       0.7899719 1.732037       1.413067  
1 1 1 -31 15 31 o 26.83494 0.7300451 7.158613       0.3890511 7.783208       0.5944201 6.690537       0.5145786 2.022295       1.460090  
1 1 1 -31 15 32 o 11.24651 1.279614  1.263830       0.2783920 1.546928       0.4356423 1.068423       0.3619358 2.251203       2.559229  
1 1 1 -31 15 33 o 12.86349 1.196233  1.715932       0.2973889 1.466621       0.4644863 1.889128       0.3871426 -1.665031      2.392466  
1 1 1 -31 15 34 o 24.92347 0.9117158 6.314184       0.4495625 5.586769       0.6593919 6.945988       0.6145308 -2.736904      1.823432  
1 1 1 -31 15 35 o 31.96931 0.8828276 10.31713       0.5620835 9.619630       0.8142026 10.95221       0.7769195 -2.092161      1.765655  
1 1 1 -31 15 36 o 16.55169 1.177799  2.736570       0.3818093 2.910684       0.6127290 2.626049       0.4881729 0.8232708      2.355598  
1 1 1 -31 16 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 16 2  o 32.52942 1.214913  10.65515       0.7878579 10.39586       1.066669  10.96643       1.168708  -0.8496475     2.429827  
1 1 1 -31 16 3  o 8.820679 2.271382  0.5937043      0.5376101 0.2161399      0.7338007 1.031188       0.7898845 -2.683165      4.542764  
1 1 1 -31 16 4  o 45.69108 1.152579  21.06198       1.052680  21.44260       1.473497  20.66523       1.504413  0.8586426      2.305158  
1 1 1 -31 16 5  f 60.23513 1.233913  36.58614       1.484847  35.75294       2.043565  37.51799       2.161148  -1.432880      2.467826  
1 1 1 -31 16 6  o 27.69015 1.258363  7.716132       0.6954058 7.067297       0.9550604 8.448296       1.014537  -2.477322      2.516726  
1 1 1 -31 16 7  o 40.60650 1.174374  16.57841       0.9508936 16.04039       1.287677  17.22368       1.410191  -1.426208      2.348747  
1 1 1 -31 16 8  o 8.239577 2.241843  0.4600651      0.5197696 0.6440409      0.7799656 0.3130957      0.6971217 1.277412       4.483685  
1 1 1 -31 16 9  o 38.65174 1.146685  15.05188       0.8860927 14.95501       1.234555  15.15481       1.272558  -0.2494202     2.293370  
1 1 1 -31 16 10 o 49.18056 1.161450  24.35482       1.141887  25.32009       1.642118  23.45106       1.588938  1.887493       2.322900  
1 1 1 -31 16 11 o 55.21164 1.197480  30.51884       1.315962  28.63909       1.759292  32.90654       1.982793  -3.810024      2.394959  
1 1 1 -31 16 12 o 20.71988 1.447893  4.353505       0.5985202 4.190029       0.8669910 4.502346       0.8272758 -0.7653294     2.895786  
1 1 1 -31 16 13 o 23.57384 1.327417  5.612368       0.6255088 5.580516       0.8693528 5.646557       0.9006849 -0.1316299     2.654834  
1 1 1 -31 16 14 o 43.93125 1.145603  19.33261       1.003579  17.90204       1.358345  21.05211       1.489216  -3.554756      2.291207  
1 1 1 -31 16 15 o 13.33124 2.025840  1.899538       0.5329370 1.452268       0.7870884 2.278195       0.7242060 -3.273431      4.051679  
1 1 1 -31 16 16 o 20.98402 1.432867  4.404678       0.5949361 3.587608       0.7998324 5.416641       0.8901256 -4.331791      2.865734  
1 1 1 -31 16 17 o 11.13878 2.299003  1.306980       0.5456378 1.167529       0.7817587 1.439443       0.7619204 -0.9940205     4.598005  
1 1 1 -31 16 18 o 19.80248 1.470830  3.918402       0.5729459 5.043882       0.8615669 3.026057       0.7671608 5.066042       2.941660  
1 1 1 -31 16 19 o 53.03117 1.179373  28.36023       1.250781  28.40176       1.759114  28.31777       1.778794  0.8414841E-01  2.358746  
1 1 1 -31 16 20 o 17.25053 1.795368  3.097031       0.5742979 4.463328       0.8489187 1.944069       0.7798321 7.488010       3.590735  
1 1 1 -31 16 21 o 44.77895 0.6670001 20.06993       0.5967903 19.14251       0.8233780 21.09641       0.8662297 -2.175369      1.334000  
1 1 1 -31 16 22 o 9.688901 1.056374  1.041765       0.1841082 0.6570392      0.2841822 1.320032       0.2416861 -3.560493      2.112747  
1 1 1 -31 16 23 o 24.07550 1.069925  5.669753       0.3984053 5.575494       0.4391848 6.107783       0.9467509 -0.9904099     2.139851  
1 1 1 -31 16 24 f 44.24226 0.6798971 19.61379       0.6011734 20.04533       0.8701059 19.21963       0.8315774 0.9273643      1.359794  
1 1 1 -31 16 25 o 10.41048 1.074063  1.062168       0.2139072 1.434073       0.3405795 0.8198925      0.2748891 3.053958       2.148126  
1 1 1 -31 16 26 o 26.96184 0.6594404 7.255010       0.3536526 7.604195       0.5334579 6.981211       0.4723749 1.146324       1.318881  
1 1 1 -31 16 27 f 12.73814 0.9862033 1.587876       0.2467553 2.086382       0.3831001 1.234429       0.3225811 3.330645       1.972407  
1 1 1 -31 16 28 o 7.149715 1.437431  0.4675310      0.2255853 0.8334588      0.3584197 0.2274872      0.2902948 3.489571       2.874863  
1 1 1 -31 16 29 o 4.545249 1.391488  -0.3487158E-01 0.2288027 -0.6157437E-01 0.3635239 -0.1735371E-01 0.2944391 0.3514714      2.782975  
1 1 1 -31 16 30 f 33.04202 0.7109936 10.93704       0.4687738 9.936396       0.6493982 12.02577       0.6773792 -3.156782      1.421987  
1 1 1 -31 16 31 o 22.55648 0.8933285 5.106577       0.3978097 5.181207       0.6158690 5.053147       0.5211063 0.2625389      1.786657  
1 1 1 -31 16 32 o 24.21369 0.8961554 5.788929       0.4291888 6.628759       0.6706702 5.206467       0.5585307 2.912008       1.792311  
1 1 1 -31 16 33 o 32.93173 0.8568504 10.84347       0.5609950 11.39714       0.8487958 10.41401       0.7475475 1.471516       1.713701  
1 1 1 -31 16 34 f 29.20073 0.8779277 8.560894       0.5083927 8.667879       0.7728499 8.479286       0.6749958 0.3014851      1.755855  
1 1 1 -31 17 1  o 8.696739 2.345156  0.5448073      0.5705006 0.7605723      0.8287791 0.3504949      0.7864996 1.318511       4.690312  
1 1 1 -31 17 2  o 27.58763 1.330250  7.675774       0.7321487 6.956193       1.008342  8.478176       1.064792  -2.741167      2.660499  
1 1 1 -31 17 3  o 44.23222 1.193884  19.72305       1.053983  21.54123       1.516527  18.02431       1.465876  3.961803       2.387768  
1 1 1 -31 17 4  o 52.09487 1.200068  27.25833       1.246682  25.77827       1.685956  29.04398       1.851845  -3.089745      2.400137  
1 1 1 -31 17 5  o 34.57401 1.210759  12.03144       0.8349243 11.65508       1.132649  12.47932       1.235576  -1.164333      2.421518  
1 1 1 -31 17 6  f 66.21738 1.303355  44.25006       1.723951  43.13775       2.368753  45.50275       2.513776  -1.744087      2.606709  
1 1 1 -31 17 7  o 30.42961 1.251721  9.299829       0.7588570 8.809121       1.020309  9.907313       1.135239  -1.772772      2.503441  
1 1 1 -31 17 8  o 33.90317 1.208591  11.59727       0.8189909 12.16220       1.167122  11.04924       1.149534  1.636684       2.417181  
1 1 1 -31 17 9  o 35.43556 1.196089  12.66836       0.8476009 12.42498       1.193306  12.91618       1.204145  -0.6902084     2.392178  
1 1 1 -31 17 10 o 49.82002 1.191479  24.85501       1.182626  22.82035       1.591063  27.36693       1.767844  -4.516163      2.382959  
1 1 1 -31 17 11 f 33.34144 1.207032  11.22571       0.8043012 11.64858       1.133225  10.79646       1.141730  1.280148       2.414065  
1 1 1 -31 17 12 o 42.56424 1.188132  18.18705       1.008788  16.62783       1.374600  20.00698       1.485082  -3.940205      2.376264  
1 1 1 -31 17 13 o 27.37816 1.313588  7.572999       0.7190682 7.383317       1.002844  7.773714       1.031598  -0.7045441     2.627176  
1 1 1 -31 17 14 f 22.44340 1.436347  5.068063       0.6416382 5.820853       0.9478107 4.431206       0.8717772 3.071590       2.872693  
1 1 1 -31 17 15 o 42.06666 1.171476  17.80470       0.9840183 17.09890       1.345801  18.61551       1.442444  -1.777401      2.342953  
1 1 1 -31 17 16 o 21.54789 1.468586  4.704349       0.6319932 4.738227       0.9200779 4.674085       0.8696030 0.1323605      2.937172  
1 1 1 -31 17 17 o 39.38915 1.175773  15.64524       0.9254580 16.54910       1.321309  14.77482       1.296630  2.245819       2.351546  
1 1 1 -31 17 18 o 35.46325 1.206046  12.67504       0.8548769 12.17223       1.185360  13.22002       1.234067  -1.464317      2.412091  
1 1 1 -31 17 19 o 50.64706 1.191323  25.86250       1.205935  25.47380       1.670259  26.28577       1.742961  -0.7825050     2.382646  
1 1 1 -31 17 20 o 42.90429 1.189977  18.55719       1.020724  18.06641       1.420366  19.08134       1.467848  -1.170319      2.379955  
1 1 1 -31 17 21 o 46.42616 1.187758  21.74206       1.102663  22.32402       1.568042  21.17274       1.550901  1.235386       2.375517  
1 1 1 -31 17 22 o 47.51021 0.6903161 22.59487       0.6552596 21.59872       0.9022843 23.70653       0.9531614 -2.210400      1.380632  
1 1 1 -31 17 23 o 16.35131 0.7249963 2.736175       0.2313579 2.388854       0.3547434 2.993251       0.3051970 -1.856187      1.449993  
1 1 1 -31 17 24 o 41.38789 0.6710286 17.11241       0.5543074 15.80074       0.7584225 18.61651       0.8121507 -3.393375      1.342057  
1 1 1 -31 17 25 o 19.17780 0.7156051 3.708336       0.2718576 3.547941       0.4088080 3.835504       0.3640091 -0.7572060     1.431210  
1 1 1 -31 17 26 o 46.82629 0.7130496 21.94656       0.6669354 20.70464       0.9171631 23.34017       0.9715640 -2.804844      1.426099  
1 1 1 -31 17 27 o 25.24390 0.6978541 6.412156       0.3513357 6.019120       0.5050827 6.780612       0.4890334 -1.511032      1.395708  
1 1 1 -31 17 28 o 17.39988 0.8992293 3.063928       0.3076346 2.935938       0.4756204 3.155988       0.4033739 -0.6486187     1.798459  
1 1 1 -31 17 29 o 26.81697 0.7990792 7.236095       0.4256026 7.116634       0.6378233 7.331978       0.5714222 -0.4147243     1.598158  
1 1 1 -31 17 30 o 34.60349 0.8224181 12.04167       0.5675792 10.92861       0.7975528 13.18381       0.8079038 -3.256561      1.644836  
1 1 1 -31 17 31 o 36.23359 0.8560580 13.05277       0.6144518 14.19931       0.9503284 12.22914       0.8054618 2.688217       1.712116  
1 1 1 -31 17 32 o 16.64904 1.643380  3.379505       0.4159708 2.006872       0.8119003 3.868055       0.4843734 -5.929576      3.286759  
1 1 1 -31 18 1  o 12.72783 2.386367  1.747538       0.6186763 1.619466       0.8845960 1.870167       0.8655943 -0.8851452     4.772735  
1 1 1 -31 18 2  o 25.88406 1.463884  6.828290       0.7546625 7.215673       1.041708  6.400432       1.094776  1.594332       2.927768  
1 1 1 -31 18 3  o 15.43930 2.075397  2.516562       0.6218697 1.842686       0.8642560 3.240023       0.8954884 -4.727405      4.150795  
1 1 1 -31 18 4  o 29.29983 1.314113  8.685788       0.7698858 8.631691       1.075822  8.742574       1.102224  -0.1807594     2.628225  
1 1 1 -31 18 5  o 51.01741 1.215596  26.28036       1.239513  26.08661       1.719212  26.49009       1.788726  -0.3752365     2.431192  
1 1 1 -31 18 6  o 25.51159 1.412375  6.479706       0.7142092 5.688889       0.9384539 7.568188       1.100994  -3.629089      2.824750  
1 1 1 -31 18 7  o 19.02044 1.691915  3.733162       0.6333016 4.404231       0.8851141 3.029248       0.9065169 3.622801       3.383830  
1 1 1 -31 18 8  o 18.26566 1.811930  3.507541       0.6207156 4.643487       0.8898242 2.430870       0.8662975 6.264756       3.623859  
1 1 1 -31 18 9  f 26.93793 1.342744  7.320005       0.7218938 7.026628       0.9829734 7.663492       1.063612  -1.157215      2.685488  
1 1 1 -31 18 10 o 34.53438 1.218423  12.04960       0.8408175 12.31974       1.173652  11.76477       1.205166  0.8122635      2.436845  
1 1 1 -31 18 11 o 47.52158 1.202117  22.72598       1.140512  21.69192       1.557305  23.92220       1.674971  -2.314365      2.404234  
1 1 1 -31 18 12 o 36.46073 1.209414  13.41184       0.8814332 13.21934       1.222922  13.61997       1.271570  -0.5360184     2.418829  
1 1 1 -31 18 13 o 13.78309 2.213538  2.013810       0.5987450 2.479297       0.8815966 1.615271       0.8157397 3.002830       4.427076  
1 1 1 -31 18 14 o 63.09807 1.293768  40.11195       1.628012  38.62402       2.205208  41.89437       2.413591  -2.530182      2.587535  
1 1 1 -31 18 15 o 21.59817 1.539663  4.740497       0.6636094 4.361864       0.9347769 5.125199       0.9422385 -1.764517      3.079327  
1 1 1 -31 18 16 o 72.78701 1.387210  53.44038       2.013978  51.08267       2.729438  56.25826       2.983936  -3.474579      2.774420  
1 1 1 -31 18 17 o 31.82116 1.284575  10.23502       0.8168976 10.76784       1.161962  9.714308       1.148688  1.651484       2.569150  
1 1 1 -31 18 18 f 35.39063 1.254882  12.66035       0.8875988 12.13795       1.256705  13.18036       1.253808  -1.473557      2.509764  
1 1 1 -31 18 19 o 27.75572 1.367353  7.800111       0.7587106 7.747540       1.086902  7.850071       1.059577  -0.1934071     2.734707  
1 1 1 -31 18 20 f 32.88015 1.254656  10.90075       0.8241420 10.28251       1.136786  11.58569       1.196533  -1.964069      2.509312  
1 1 1 -31 18 21 o 24.18790 1.504829  5.940480       0.7194013 4.802379       0.9934104 7.195493       1.043188  -4.929220      3.009658  
1 1 1 -31 18 22 o 21.06569 1.617435  4.516395       0.6781154 3.946921       0.9432017 5.125685       0.9756196 -2.785118      3.234870  
1 1 1 -31 18 23 o 35.12438 1.118314  12.82245       0.7220210 11.45206       1.270270  13.47650       0.8775676 -2.987343      2.236627  
1 1 1 -31 18 24 o 32.18689 1.626140  9.781498       0.7925552 11.79186       1.980919  9.398356       0.8647875 3.278206       3.252280  
1 1 1 -31 18 25 o 57.69940 1.386842  0.000000       0.000000  ?              ?         33.51994       1.600399  ?              ?         
1 1 1 -31 18 26 o 6.299272 1.632086  0.3421831      0.2368792 0.1230837      0.5500381 0.3920718      0.2624659 0.1526413      3.264173  
1 1 1 -31 18 27 o 47.19316 1.102950  22.60058       0.9703510 22.06113       1.705865  22.85863       1.179825  -0.9836349     2.205900  
1 1 1 -31 18 28 o 15.31462 1.405841  2.738865       0.3335714 1.841152       0.6577840 3.049647       0.3870281 -4.222523      2.811681  
1 1 1 -31 18 29 o 20.82018 1.217933  5.123055       0.4228906 2.828202       0.7352570 6.257498       0.5169555 -8.294128      2.435865  
1 1 1 -31 19 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 19 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 19 3  o 64.11649 1.876671  41.60918       2.406511  41.60918       2.406511  ?              ?         ?              ?         
1 1 1 -31 19 4  o 8.760918 2.374611  0.4976657      0.5980273 0.1451190      0.8204677 0.8972581      0.8734977 -2.226224      4.749223  
1 1 1 -31 19 5  o 21.97217 1.606859  4.903259       0.7028176 4.281561       0.9699422 5.590514       1.019799  -2.958973      3.213719  
1 1 1 -31 19 6  o 47.97926 1.223486  23.27408       1.173298  24.17645       1.657247  22.36723       1.661348  1.886669       2.446972  
1 1 1 -31 19 7  o 25.41803 1.469599  6.559824       0.7452728 7.174691       1.066163  5.972292       1.042195  2.356407       2.939197  
1 1 1 -31 19 8  o 16.05828 2.102637  2.719872       0.6558582 3.266572       0.9352196 2.190804       0.9200141 3.596156       4.205274  
1 1 1 -31 19 9  o 28.38842 1.376971  8.154474       0.7810187 7.680305       1.081760  8.670774       1.128796  -1.728155      2.753941  
1 1 1 -31 19 10 o 15.00845 2.219635  2.443580       0.6560326 1.702155       0.9533272 3.110505       0.9041641 -4.841447      4.439271  
1 1 1 -31 19 11 o 10.86516 2.370046  1.189434       0.6031826 0.5778906      0.8635799 1.771977       0.8428553 -3.922472      4.740091  
1 1 1 -31 19 12 o 14.33005 2.298831  2.214979       0.6432693 2.135423       0.9455698 2.283519       0.8776615 -0.5452766     4.597661  
1 1 1 -31 19 13 o 38.78912 1.269228  15.20753       0.9843163 14.73276       1.372739  15.70996       1.412165  -1.247105      2.538455  
1 1 1 -31 19 14 o 45.49652 1.219690  20.92240       1.109409  21.58494       1.569052  20.26005       1.568832  1.455971       2.439380  
1 1 1 -31 19 15 o 28.17455 1.368901  7.998232       0.7670871 6.897122       1.046481  9.276932       1.127718  -4.195532      2.737801  
1 1 1 -31 19 16 f 31.76713 1.293840  10.20988       0.8219551 10.06642       1.153029  10.35810       1.172044  -0.4528923     2.587681  
1 1 1 -31 19 17 o 55.10165 1.458596  30.49264       1.543727  29.66584       1.919622  32.00613       2.597197  -1.875847      2.917192  
1 1 1 -31 19 18 o 17.51834 2.602451  3.381964       0.8781555 2.792910       1.393593  3.769902       1.130939  -3.203182      5.204901  
1 1 1 -31 19 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 19 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 19 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 19 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 19 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 19 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 19 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 19 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -31 20 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 0  1  o 36.59913 0.8349133 13.44239       0.6093429 13.71961       0.8810568 13.18822       0.8436423 -0.000000      0.000000  
1 1 1 -30 0  2  o 12.32984 1.195253  1.587329       0.2871573 1.598901       0.3980319 1.574768       0.4146833 -0.000000      0.000000  
1 1 1 -30 0  3  o 46.23454 0.9019059 21.44411       0.8323552 21.84493       1.194261  21.06548       1.160712  -0.000000      0.000000  
1 1 1 -30 0  4  o 51.30018 0.9553920 26.38193       0.9780775 27.17007       1.415190  25.66121       1.353305  -0.000000      0.000000  
1 1 1 -30 0  5  o 37.27341 0.8431995 13.95113       0.6271517 13.94146       0.8839724 13.96093       0.8899104 -0.000000      0.000000  
1 1 1 -30 0  6  f 78.40277 1.277775  61.71574       2.001049  62.21629       2.854609  61.23214       2.805841  -0.000000      0.000000  
1 1 1 -30 0  7  o 36.07526 0.8407218 13.06593       0.6050270 12.76207       0.8467406 13.38290       0.8648204 -0.000000      0.000000  
1 1 1 -30 0  8  o 73.90688 1.221331  54.83492       1.803101  54.66752       2.548166  55.00278       2.551777  -0.000000      0.000000  
1 1 1 -30 0  9  o 60.90623 1.065468  37.20399       1.295671  36.33675       1.803935  38.12812       1.862162  -0.000000      0.000000  
1 1 1 -30 0  10 o 13.33103 1.159345  1.846078       0.3000440 1.653809       0.4052610 2.079325       0.4463630 -0.000000      0.000000  
1 1 1 -30 0  11 o 43.19629 0.8867789 18.72597       0.7646398 18.97691       1.088103  18.48116       1.074749  -0.000000      0.000000  
1 1 1 -30 0  12 o 6.119205 1.776273  0.5144719      0.2650835 0.8397281      0.3607186 0.1325836      0.3908625 -0.000000      0.000000  
1 1 1 -30 0  13 o 41.11158 0.8785498 16.95757       0.7206967 16.56504       1.004251  17.37440       1.034877  -0.000000      0.000000  
1 1 1 -30 0  14 o 12.42209 1.328581  1.603299       0.2996237 1.245775       0.3910763 2.111427       0.4662243 -0.000000      0.000000  
1 1 1 -30 0  15 f 16.41344 1.051846  2.756422       0.3378861 2.696403       0.4516337 2.832722       0.5092184 -0.000000      0.000000  
1 1 1 -30 0  16 o 68.67004 1.161938  47.32299       1.593568  47.88396       2.276276  46.78378       2.231678  -0.000000      0.000000  
1 1 1 -30 0  17 o 57.40821 1.040177  33.06347       1.192333  32.34044       1.667801  33.81933       1.705251  -0.000000      0.000000  
1 1 1 -30 0  18 o 21.62434 0.9369160 4.764303       0.3990006 5.318806       0.5583879 4.185795       0.5703464 -0.000000      0.000000  
1 1 1 -30 0  19 f 9.560935 1.889798  1.075792       0.3149649 0.7990651      0.4091776 1.478177       0.4934092 -0.000000      0.000000  
1 1 1 -30 0  20 o 62.37428 1.097998  39.05143       1.367848  39.14034       1.933318  38.96232       1.935542  -0.000000      0.000000  
1 1 1 -30 0  21 o 40.77828 0.9128726 16.68613       0.7418569 16.43607       1.019618  16.96741       1.081394  -0.000000      0.000000  
1 1 1 -30 0  22 o 29.08740 0.8992213 8.490909       0.5194991 8.154067       0.7036759 8.894434       0.7701863 -0.000000      0.000000  
1 1 1 -30 0  23 o 14.06341 1.372527  2.119448       0.3569719 2.355851       0.4812139 1.830171       0.5323141 -0.000000      0.000000  
1 1 1 -30 0  24 o 12.00412 1.693464  1.664421       0.3470078 1.987347       0.4706149 1.279665       0.5136965 -0.000000      0.000000  
1 1 1 -30 0  25 o 22.95166 0.9935688 5.335845       0.4513201 5.337645       0.6163549 5.333764       0.6626867 -0.000000      0.000000  
1 1 1 -30 0  26 o 40.45948 0.9244633 16.44524       0.7463063 16.39673       1.049093  16.49494       1.061896  -0.000000      0.000000  
1 1 1 -30 0  27 o 23.55361 0.9796413 5.625386       0.4571965 5.936870       0.6405455 5.301895       0.6527749 -0.000000      0.000000  
1 1 1 -30 0  28 o 6.339502 2.244904  0.5850397      0.3439731 0.4901265      0.4551185 0.7114806      0.5252972 -0.000000      0.000000  
1 1 1 -30 0  29 o 13.55839 1.518860  1.956483       0.3810613 1.677606       0.5133064 2.298862       0.5687529 -0.000000      0.000000  
1 1 1 -30 0  30 o 5.153877 2.102235  0.3268042      0.3387966 0.2429915      0.4396872 0.4492905      0.5315359 -0.000000      0.000000  
1 1 1 -30 0  31 f 31.17498 0.9592983 9.791210       0.5956216 9.974728       0.8446587 9.609696       0.8400328 -0.000000      0.000000  
1 1 1 -30 0  32 o 22.70944 1.073488  5.250034       0.4816586 5.438151       0.6643909 5.041638       0.6992841 -0.000000      0.000000  
1 1 1 -30 0  33 o 51.90720 1.036326  27.01682       1.072859  28.21706       1.560891  25.94202       1.477081  -0.000000      0.000000  
1 1 1 -30 0  34 o 5.820331 2.194194  0.3838992      0.3765544 0.4035776E-01  0.5031097 0.8214586      0.5677952 -0.000000      0.000000  
1 1 1 -30 0  35 o 53.74153 1.061496  29.01598       1.138873  28.58263       1.599670  29.46138       1.621777  -0.000000      0.000000  
1 1 1 -30 0  36 o 60.00909 1.122343  36.17311       1.344471  36.92722       1.932493  35.46571       1.871702  -0.000000      0.000000  
1 1 1 -30 0  37 f 54.46198 1.072651  29.80107       1.165871  30.23138       1.677981  29.39945       1.621073  -0.000000      0.000000  
1 1 1 -30 0  38 o 25.10599 1.076704  6.332160       0.5338932 5.635316       0.7180840 7.193512       0.7983578 -0.000000      0.000000  
1 1 1 -30 0  39 o 16.55642 1.605456  3.006271       0.4571406 4.015905       0.6460593 1.993912       0.6469302 -0.000000      0.000000  
1 1 1 -30 0  40 o 5.935311 2.316163  0.4962196      0.4005116 0.6089054      0.5489841 0.3679982      0.5856057 -0.000000      0.000000  
1 1 1 -30 0  41 o 37.82355 1.011042  14.39857       0.7621456 14.70446       1.096741  14.11289       1.059877  -0.000000      0.000000  
1 1 1 -30 0  42 o 8.102935 2.381956  0.9578227      0.4166840 1.221338       0.5528141 0.6111504      0.6340674 -0.000000      0.000000  
1 1 1 -30 0  43 o 25.09565 1.143566  6.386638       0.5684280 6.681554       0.8284539 6.124292       0.7813679 -0.000000      0.000000  
1 1 1 -30 0  44 o 21.28206 1.262683  4.652235       0.5293961 4.841292       0.7417750 4.455973       0.7557799 -0.000000      0.000000  
1 1 1 -30 0  45 o 6.668202 2.367707  0.5563211      0.4484312 0.4014465E-01  0.6306406 1.084242       0.6377744 -0.000000      0.000000  
1 1 1 -30 0  46 o 65.40508 1.222559  43.07556       1.596669  42.52332       2.256336  43.62946       2.259730  -0.000000      0.000000  
1 1 1 -30 0  47 o 34.84649 1.093192  12.24931       0.7581919 11.77488       1.051525  12.76307       1.094241  -0.000000      0.000000  
1 1 1 -30 0  48 o 49.98145 1.128829  25.12409       1.124811  23.81935       1.554497  26.55796       1.629607  -0.000000      0.000000  
1 1 1 -30 0  49 o 19.51061 3.223167  4.114848       1.168444  4.114848       1.168444  4.114848       1.168444  -0.000000      0.000000  
1 1 1 -30 1  1  o 28.22067 0.8315120 7.982470       0.4692740 8.134051       0.6661879 7.833173       0.6611481 0.5325756      1.663024  
1 1 1 -30 1  2  o 9.695924 1.301860  0.9721650      0.2311563 0.9396199      0.4054341 0.9878396      0.2813682 -0.4528255     2.603720  
1 1 1 -30 1  3  o 30.21178 0.5740606 9.089977       0.3459638 8.367666       0.4704089 9.940957       0.5105910 -2.601097      1.148121  
1 1 1 -30 1  4  f 36.10307 0.5865395 13.03522       0.4232977 13.54101       0.6100602 12.56561       0.5878255 1.349373       1.173079  
1 1 1 -30 1  5  o 43.87038 0.6239523 19.26332       0.5473619 19.62245       0.7831645 18.92037       0.7653174 0.7989235      1.247905  
1 1 1 -30 1  6  o 42.64453 0.6188229 18.13382       0.5266642 17.05824       0.7170583 19.39371       0.7760680 -2.734264      1.237646  
1 1 1 -30 1  7  f 7.277474 1.267385  0.5538086      0.1835578 0.5940277      0.2583300 0.5127952      0.2608684 0.5257716      2.534769  
1 1 1 -30 1  8  o 37.43958 0.5961905 13.99318       0.4457984 13.19045       0.6120388 14.90035       0.6506386 -2.281075      1.192381  
1 1 1 -30 1  9  o 39.03575 0.6004739 15.24281       0.4686132 15.69586       0.6742300 14.81942       0.6517783 1.121178       1.200948  
1 1 1 -30 1  10 o 78.12158 0.9000276 61.05105       1.404120  63.41800       2.055237  58.97927       1.922821  2.828239       1.800055  
1 1 1 -30 1  11 o 30.77005 0.5931647 9.420320       0.3638168 10.52516       0.5374101 8.485561       0.4943164 3.311556       1.186329  
1 1 1 -30 1  12 o 70.66920 0.8342394 49.99789       1.178345  51.32803       1.704055  48.77908       1.631194  1.797005       1.668479  
1 1 1 -30 1  13 o 37.70720 0.6064667 14.12309       0.4555644 12.88550       0.6130250 15.64958       0.6808268 -3.660839      1.212933  
1 1 1 -30 1  14 o 9.849024 1.094615  0.9910862      0.2036109 0.6753896      0.2770044 1.362123       0.3003032 -3.614993      2.189229  
1 1 1 -30 1  15 o 42.09275 0.6307313 17.73331       0.5308962 17.38316       0.7428887 18.09879       0.7589709 -0.8489838     1.261463  
1 1 1 -30 1  16 o 46.05555 0.6525580 21.23613       0.6010447 21.45942       0.8554924 21.01847       0.8446231 0.4779587      1.305116  
1 1 1 -30 1  17 o 61.76458 0.7656424 38.19693       0.9454873 38.97070       1.358375  37.46976       1.316834  1.211639       1.531285  
1 1 1 -30 1  18 f 34.31886 0.6097005 11.75174       0.4177436 12.71167       0.6102863 10.90542       0.5730295 2.629108       1.219401  
1 1 1 -30 1  19 o 47.69188 0.6719640 22.68326       0.6394737 24.19119       0.9442021 21.40549       0.8691567 2.914982       1.343928  
1 1 1 -30 1  20 o 33.94121 0.6213418 11.52148       0.4215283 11.01215       0.5858850 12.06807       0.6069342 -1.554058      1.242684  
1 1 1 -30 1  21 o 54.24463 0.7153652 29.43216       0.7754278 30.44318       1.125537  28.51875       1.069824  1.769325       1.430730  
1 1 1 -30 1  22 o 24.49102 0.6622769 5.994028       0.3231237 5.287040       0.4463964 6.772175       0.4683234 -3.030327      1.324554  
1 1 1 -30 1  23 f 33.95562 0.6263323 11.54510       0.4253398 11.51219       0.6030973 11.57767       0.5999576 -0.9665298E-01 1.252665  
1 1 1 -30 1  24 o 19.02605 0.7407116 3.629864       0.2812492 3.337236       0.3958758 3.928089       0.3996438 -1.552412      1.481423  
1 1 1 -30 1  25 o 37.54716 0.6395714 14.11526       0.4802186 14.28161       0.6859496 13.95536       0.6725131 0.4333916      1.279143  
1 1 1 -30 1  26 o 35.46357 0.6408901 12.57424       0.4541069 11.83575       0.6290030 13.37814       0.6562729 -2.172401      1.281780  
1 1 1 -30 1  27 o 20.27950 0.7448054 4.122156       0.3014471 3.778405       0.4225641 4.478372       0.4301584 -1.725065      1.489611  
1 1 1 -30 1  28 o 50.87489 0.7126922 25.84549       0.7238641 24.46721       0.9884316 27.43967       1.063031  -2.914257      1.425384  
1 1 1 -30 1  29 o 18.91944 0.8079876 3.582507       0.3047896 3.992151       0.4404505 3.206102       0.4222035 2.075369       1.615975  
1 1 1 -30 1  30 o 51.29759 0.7882810 26.47017       0.8002848 27.06027       1.064563  25.70331       1.213567  1.338608       1.576562  
1 1 1 -30 1  31 o 26.73540 0.6942838 7.112882       0.3698308 8.014915       0.5474982 6.355882       0.5015560 3.098249       1.388568  
1 1 1 -30 1  32 o 30.04038 0.6809724 9.029666       0.4086111 9.698258       0.5885092 8.407353       0.5677752 2.146584       1.361945  
1 1 1 -30 1  33 o 6.671392 1.603096  0.4135157      0.2574270 0.4891984      0.3589217 0.3333413      0.3694186 0.7333031      3.206192  
1 1 1 -30 1  34 o 40.41603 0.6849765 16.36655       0.5536743 16.25713       0.7819037 16.47659       0.7841282 -0.2712860     1.369953  
1 1 1 -30 1  35 o 55.09517 0.7585322 30.43107       0.8358004 30.52124       1.187642  30.34259       1.176438  0.1607895      1.517064  
1 1 1 -30 1  36 o 39.99286 0.6972182 15.93957       0.5560628 14.74509       0.7531850 17.37067       0.8244169 -3.274269      1.394436  
1 1 1 -30 1  37 o 28.33016 0.7222015 8.043111       0.4088007 8.548344       0.5847454 7.560107       0.5717369 1.742504       1.444403  
1 1 1 -30 1  38 o 54.71465 0.7654327 29.91335       0.8359220 28.26932       1.139034  31.83238       1.230615  -3.243687      1.530865  
1 1 1 -30 1  39 o 7.800043 1.688800  0.6169022      0.2888737 0.5475532      0.4063902 0.6877306      0.4107022 -0.7111735     3.377600  
1 1 1 -30 1  40 o 48.98352 0.7473105 24.05166       0.7318502 24.47576       1.052352  23.65443       1.018464  0.8337326      1.494621  
1 1 1 -30 1  41 o 33.70812 0.7878785 11.51487       0.5251412 10.43790       0.7804240 12.40599       0.7098989 -2.929985      1.575757  
1 1 1 -30 1  42 o 51.47696 0.8325602 26.59620       0.8470562 26.64285       1.302001  26.56195       1.115373  0.4767609E-01  1.665120  
1 1 1 -30 1  43 o 29.32580 0.8329129 8.615147       0.4816890 8.754815       0.7489626 8.516623       0.6290444 0.3853054      1.665826  
1 1 1 -30 1  44 o 17.91916 1.156103  3.228056       0.3972850 3.273606       0.6657292 3.202861       0.4951117 0.1537037      2.312206  
1 1 1 -30 1  45 o 46.45763 0.9268919 21.29363       0.8015392 22.80330       1.445787  20.62372       0.9630960 2.248096       1.853784  
1 1 1 -30 1  46 o 21.35405 1.083482  4.510101       0.4409474 4.871362       0.7599514 4.326746       0.5414038 1.221094       2.166964  
1 1 1 -30 1  47 f 42.12198 0.8238279 17.69274       0.6832388 18.56452       1.075510  17.10286       0.8846914 1.696617       1.647656  
1 1 1 -30 1  48 o 11.27601 1.743956  1.317206       0.3782472 1.555707       0.5929324 1.153547       0.4911681 1.685864       3.487912  
1 1 1 -30 1  49 o 23.43152 2.737122  0.000000       0.000000  ?              ?         5.633698       1.282698  ?              ?         
1 1 1 -30 2  1  o 73.44215 0.8547142 54.07206       1.255402  53.89985       1.767351  54.24745       1.783573  -0.2349548     1.709428  
1 1 1 -30 2  2  o 45.90726 0.7992641 20.79626       0.6738375 20.32054       0.8022380 21.93596       1.241711  -1.718170      1.598528  
1 1 1 -30 2  3  o 14.48838 1.118348  2.107764       0.3240253 2.150738       0.4596997 2.065330       0.4567960 0.2943668      2.236696  
1 1 1 -30 2  4  o 49.17628 0.9533513 24.25368       0.9375771 24.19105       1.317262  24.31798       1.334780  -0.1271362     1.906703  
1 1 1 -30 2  5  o 39.66711 0.7526222 15.91739       0.5627102 15.29580       0.9651914 16.23746       0.6925924 -1.209690      1.505244  
1 1 1 -30 2  6  o 59.98905 0.7408348 36.04898       0.8888380 36.05682       1.255852  36.04111       1.258165  0.1328659E-01  1.481670  
1 1 1 -30 2  7  o 49.81033 0.6661230 24.60951       0.6597922 22.73203       0.8774968 27.05163       1.000786  -4.327038      1.332246  
1 1 1 -30 2  8  o 57.87012 0.7237907 33.54314       0.8377072 33.50689       1.181558  33.57978       1.187861  -0.6248474E-01 1.447581  
1 1 1 -30 2  9  o 21.13536 0.6136609 4.471762       0.2593563 4.451431       0.3631456 4.492928       0.3705364 -0.9768295E-01 1.227322  
1 1 1 -30 2  10 f 60.99567 0.7503122 37.16461       0.9136910 38.96989       1.341931  35.60437       1.247535  2.751240       1.500624  
1 1 1 -30 2  11 o 43.98155 0.6319022 19.27197       0.5543990 20.76205       0.8205796 18.02061       0.7519812 3.111969       1.263804  
1 1 1 -30 2  12 o 43.52353 0.6287834 18.91589       0.5465931 19.97984       0.7984680 17.97764       0.7498220 2.296871       1.257567  
1 1 1 -30 2  13 o 45.86788 0.6472376 21.06056       0.5936830 21.44647       0.8466519 20.68726       0.8327108 0.8266411      1.294475  
1 1 1 -30 2  14 o 29.24115 0.5979088 8.470374       0.3478133 7.506574       0.4660657 9.681836       0.5225268 -3.715925      1.195818  
1 1 1 -30 2  15 o 18.24183 0.6906914 3.341301       0.2504616 3.800758       0.3567736 2.894836       0.3516933 2.482718       1.381383  
1 1 1 -30 2  16 o 27.81083 0.6076888 7.691231       0.3366026 6.806144       0.4570354 8.740420       0.4976039 -3.474915      1.215378  
1 1 1 -30 2  17 o 26.82146 0.6109876 7.200628       0.3276527 7.452869       0.4668021 6.955669       0.4600142 0.9264202      1.221975  
1 1 1 -30 2  18 f 9.739469 1.175737  0.9930995      0.2144323 1.477281       0.3121927 0.5606613      0.2950399 4.798729       2.351474  
1 1 1 -30 2  19 o 5.656907 1.330227  0.2234655      0.2045999 0.5447935      0.2904974 -0.9282649E-01 0.2882120 3.164442       2.660455  
1 1 1 -30 2  20 o 31.43012 0.6159380 9.831450       0.3859681 10.91731       0.5703874 8.914280       0.5242139 3.183277       1.231876  
1 1 1 -30 2  21 o 49.27004 0.6821268 24.29114       0.6718609 23.61107       0.9331809 25.02304       0.9680900 -1.430168      1.364254  
1 1 1 -30 2  22 o 43.56401 0.6529642 19.00164       0.5688658 18.70580       0.7986161 19.30636       0.8105112 -0.6883888     1.305928  
1 1 1 -30 2  23 o 44.59825 0.6620060 19.90543       0.5902799 19.30539       0.8224410 20.54288       0.8476953 -1.385387      1.324012  
1 1 1 -30 2  24 f 18.67439 0.7456195 3.464043       0.2766363 4.081493       0.4108727 2.952041       0.3741468 3.020754       1.491239  
1 1 1 -30 2  25 o 20.44120 0.7187763 4.148618       0.2918704 4.895940       0.4340155 3.531614       0.3943622 3.333658       1.437553  
1 1 1 -30 2  26 o 36.42139 0.6387551 13.18987       0.4635037 14.42221       0.6933195 12.19403       0.6232514 3.053173       1.277510  
1 1 1 -30 2  27 o 9.559704 1.318426  0.9545165      0.2449091 1.276355       0.3487074 0.6412222      0.3440472 3.425804       2.636853  
1 1 1 -30 2  28 o 33.75903 0.6514368 11.35204       0.4386136 12.36959       0.6494812 10.49885       0.5947169 2.765949       1.302874  
1 1 1 -30 2  29 o 38.98245 0.9073877 15.24072       0.7073415 15.60053       1.008422  14.89222       0.9924337 0.9065361      1.814775  
1 1 1 -30 2  30 o 56.83208 0.8162427 32.45941       0.9195133 31.77980       1.388685  32.99001       1.227042  -1.082729      1.632485  
1 1 1 -30 2  31 o 30.95307 0.7912566 9.633174       0.4681735 9.507361       0.7852237 9.702567       0.5831655 -0.3375092     1.582513  
1 1 1 -30 2  32 o 11.41110 1.575631  1.361072       0.3462856 1.293512       0.4913560 1.427741       0.4881037 -0.5965862     3.151261  
1 1 1 -30 2  33 o 7.216987 1.798766  0.3727796      0.3514181 -0.1109685E-01 0.4891502 0.7822585      0.5051987 -3.070251      3.597532  
1 1 1 -30 2  34 o 21.57132 1.054404  4.668271       0.4544946 4.518639       0.6268032 4.834165       0.6599846 -0.7261295     2.108809  
1 1 1 -30 2  35 o 51.89975 1.023724  26.99924       1.061247  25.83292       1.456342  28.31981       1.549662  -2.380760      2.047448  
1 1 1 -30 2  36 o 19.68512 1.103575  3.893142       0.4329992 3.845577       0.5869524 3.949935       0.6413658 -0.2549362     2.207150  
1 1 1 -30 2  37 f 10.44312 1.817041  1.142976       0.3758142 1.056262       0.5037236 1.251839       0.5643999 -0.8763285     3.634082  
1 1 1 -30 2  38 o 18.62357 1.188305  3.483990       0.4419172 3.340884       0.6046273 3.648113       0.6475040 -0.8158531     2.376609  
1 1 1 -30 2  39 o 38.14462 0.9615912 14.58217       0.7326393 13.67091       1.009476  15.59637       1.064967  -2.514397      1.923182  
1 1 1 -30 2  40 o 43.32083 0.9132359 18.83445       0.7793728 18.76618       1.017110  18.93155       1.212977  -0.1579208     1.826472  
1 1 1 -30 2  41 o 43.37676 0.9251805 18.90622       0.7897182 18.91496       1.029023  18.89369       1.231788  0.6098175E-01  1.850361  
1 1 1 -30 2  42 o 64.76503 1.027895  42.23233       1.265858  42.31545       1.565402  42.07526       2.151746  0.3042755      2.055789  
1 1 1 -30 2  43 o 16.72701 1.225054  2.689474       0.3939492 2.375178       0.4834735 3.310443       0.6795758 -2.744606      2.450109  
1 1 1 -30 2  44 o 35.03997 0.8906296 12.18340       0.5930068 11.85306       0.7276936 12.83644       1.023160  -1.344948      1.781259  
1 1 1 -30 2  45 o 21.46705 1.071019  4.665898       0.4360009 4.720115       0.5389642 4.563230       0.7416711 0.4127483      2.142039  
1 1 1 -30 2  46 f 48.50730 0.9266078 22.95236       0.8334458 21.85010       0.9947365 25.54899       1.526761  -3.699657      1.853216  
1 1 1 -30 2  47 o 17.10038 1.246174  2.835966       0.4031000 2.610174       0.4874677 3.324268       0.7168641 -2.017401      2.492348  
1 1 1 -30 2  48 f 29.33862 0.9713307 8.556139       0.5419557 8.323846       0.6656985 9.012701       0.9332761 -1.109999      1.942661  
1 1 1 -30 2  49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 3  1  o 42.06532 0.6098249 17.69928       0.5127255 17.20587       0.7098248 18.23758       0.7414131 -1.223934      1.219650  
1 1 1 -30 3  2  o 19.77170 0.6100087 3.908971       0.2410504 3.769328       0.3334786 4.061769       0.3488331 -0.7384109     1.220017  
1 1 1 -30 3  3  o 73.52068 0.8545897 54.17094       1.256328  53.53087       1.754899  54.84388       1.799367  -0.8884506     1.709179  
1 1 1 -30 3  4  o 13.95153 0.7486211 1.968064       0.2063373 2.303622       0.2903746 1.625811       0.2932569 2.429414       1.497242  
1 1 1 -30 3  5  o 50.71363 0.8359868 25.71705       0.7881578 25.61492       0.9518999 25.93972       1.405538  -0.2774887     1.671974  
1 1 1 -30 3  6  o 47.16242 0.9470411 21.98752       0.8860143 19.86971       1.165687  24.88490       1.363454  -5.295757      1.894082  
1 1 1 -30 3  7  o 69.59113 1.181222  48.64240       1.644039  48.69735       2.321221  48.58709       2.328842  0.8022308E-01  2.362444  
1 1 1 -30 3  8  o 61.21193 0.9267287 38.00364       1.081386  36.09714       1.805869  39.06946       1.350238  -2.473633      1.853457  
1 1 1 -30 3  9  o 55.73593 0.7101390 31.11184       0.7915865 31.35879       1.123955  30.86880       1.115042  0.4388771      1.420278  
1 1 1 -30 3  10 o 9.149673 1.098523  0.8450026      0.1937589 0.6495810      0.2605240 1.086894       0.2898489 -2.520570      2.197047  
1 1 1 -30 3  11 o 75.80125 0.8801784 57.52894       1.333331  59.19037       1.932693  56.02007       1.841817  2.082558       1.760357  
1 1 1 -30 3  12 o 26.68788 0.5953561 7.131670       0.3174896 7.524391       0.4511793 6.746452       0.4468481 1.457197       1.190712  
1 1 1 -30 3  13 o 24.71210 0.6019905 6.111094       0.2974564 5.932146       0.4162545 6.297837       0.4252227 -0.7393208     1.203981  
1 1 1 -30 3  14 o 49.60521 0.6720474 24.62751       0.6665207 24.14384       0.9281101 25.14262       0.9577957 -1.004574      1.344095  
1 1 1 -30 3  15 f 34.74076 0.6009775 12.04110       0.4168511 11.28536       0.5704632 12.90697       0.6106161 -2.331268      1.201955  
1 1 1 -30 3  16 o 12.78599 0.8852700 1.663882       0.2207541 2.097104       0.3132843 1.236642       0.3111140 3.364659       1.770540  
1 1 1 -30 3  17 o 20.99811 0.6758156 4.358780       0.2777714 5.783368       0.4179372 3.231596       0.3717611 6.072823       1.351631  
1 1 1 -30 3  18 f 39.99778 0.6262851 16.01778       0.5009920 16.14670       0.7096655 15.88970       0.7073594 0.3211021      1.252570  
1 1 1 -30 3  19 o 50.54221 0.6859950 25.54339       0.6928392 26.57222       1.005526  24.61342       0.9559951 1.933956       1.371990  
1 1 1 -30 3  20 o 23.20471 0.6482751 5.391842       0.3008212 5.275079       0.4241693 5.509998       0.4266928 -0.5060024     1.296550  
1 1 1 -30 3  21 o 17.38441 0.7618443 3.032090       0.2644496 2.847070       0.3754026 3.214347       0.3725897 -1.056587      1.523689  
1 1 1 -30 3  22 o 40.30844 0.6366913 16.24196       0.5128419 15.48448       0.7087590 17.07439       0.7429873 -1.969604      1.273383  
1 1 1 -30 3  23 o 22.08072 0.6845067 4.881042       0.3020630 4.940972       0.4367949 4.826112       0.4181762 0.2585564      1.369013  
1 1 1 -30 3  24 o 46.74112 0.7285747 21.68614       0.6691661 22.93887       1.062111  20.86158       0.8616974 2.204151       1.457149  
1 1 1 -30 3  25 o 25.30582 0.7558106 6.306996       0.3666664 6.796442       0.6236859 6.048478       0.4532723 1.461655       1.511621  
1 1 1 -30 3  26 o 35.00436 0.8620508 12.28768       0.6034067 12.55713       0.8536882 12.01866       0.8530040 0.7690697      1.724102  
1 1 1 -30 3  27 f 23.33860 0.9236463 5.458047       0.4293900 6.157763       0.6197727 4.812162       0.5954553 2.879808       1.847293  
1 1 1 -30 3  28 o 7.947940 1.724650  0.6051707      0.3067871 0.3962811      0.4089310 0.8740991      0.4639915 -2.391746      3.449300  
1 1 1 -30 3  29 o 59.39755 1.070544  35.42444       1.271506  34.84111       1.776862  36.03663       1.820287  -1.000038      2.141088  
1 1 1 -30 3  30 o 17.22816 1.062524  2.987158       0.3650996 3.232949       0.5153639 2.739518       0.5172991 1.432331       2.125049  
1 1 1 -30 3  31 o 29.34024 0.7924364 8.344324       0.4429684 7.751010       0.5405525 9.557343       0.7729107 -3.052067      1.584873  
1 1 1 -30 3  32 o 25.40697 0.8419179 6.539359       0.4099656 6.712731       0.5149901 6.239400       0.6773925 0.9511452      1.683836  
1 1 1 -30 3  33 o 18.06682 0.8576116 3.267643       0.3053712 4.072353       0.4468355 2.562444       0.4182960 4.175135       1.715223  
1 1 1 -30 3  34 o 32.86335 0.8766184 11.01729       0.5337164 10.34443       0.9399357 11.33747       0.6483820 -1.548645      1.753237  
1 1 1 -30 3  35 o 24.87879 0.7321960 6.203325       0.3642451 6.267764       0.5215378 6.141963       0.5089340 0.2513371      1.464392  
1 1 1 -30 3  36 o 55.23959 0.7620998 30.56801       0.8414671 29.66765       1.165860  31.54705       1.215735  -1.694607      1.524200  
1 1 1 -30 3  37 o 30.80647 0.6974394 9.490823       0.4292004 10.03139       0.6252325 9.009072       0.5902400 1.654961       1.394879  
1 1 1 -30 3  38 o 40.34202 0.6962073 16.30083       0.5613857 16.67958       0.8112540 15.95280       0.7776504 0.8966446      1.392415  
1 1 1 -30 3  39 o 38.34243 0.7020491 14.73756       0.5383031 14.77536       0.7675776 14.70097       0.7551262 0.9543610E-01  1.404098  
1 1 1 -30 3  40 o 24.53964 0.7679828 6.029933       0.3762890 6.544430       0.5437816 5.557209       0.5212398 2.008242       1.535966  
1 1 1 -30 3  41 o 33.01624 0.7213487 10.93149       0.4762065 10.60090       0.6700491 11.26890       0.6769189 -1.010654      1.442697  
1 1 1 -30 3  42 o 18.46369 0.9211839 3.418238       0.3375716 4.028461       0.4909683 2.871108       0.4648948 3.129343       1.842368  
1 1 1 -30 3  43 o 23.84124 0.8078946 5.701122       0.3843580 6.249127       0.5529985 5.188981       0.5345969 2.220125       1.615789  
1 1 1 -30 3  44 o 25.94180 0.7994714 6.724710       0.4134232 7.543455       0.6063234 6.013310       0.5651800 2.941893       1.598943  
1 1 1 -30 3  45 o 32.83289 0.7460178 10.80716       0.4891857 10.02546       0.6810609 11.64025       0.7030913 -2.455437      1.492036  
1 1 1 -30 3  46 o 26.36738 0.8081309 6.990825       0.4256428 6.723026       0.6089594 7.246640       0.5951768 -0.9955215     1.616262  
1 1 1 -30 3  47 o 39.46000 0.7459585 15.62263       0.5884392 14.97467       0.8219263 16.30395       0.8428247 -1.680439      1.491917  
1 1 1 -30 3  48 o 10.82401 1.578950  1.228869       0.3424855 1.919310       0.4981644 0.6100464      0.4716203 5.903802       3.157900  
1 1 1 -30 3  49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 4  1  o 48.70343 0.6501941 23.75604       0.6333230 23.74408       0.8929576 23.76816       0.8983750 -0.2426910E-01 1.300388  
1 1 1 -30 4  2  o 59.33327 0.7323058 35.21826       0.8680575 34.21304       1.194340  36.34388       1.263844  -1.789364      1.464612  
1 1 1 -30 4  3  o 19.07209 0.6149644 3.649278       0.2341094 3.845134       0.3275173 3.444662       0.3347629 1.050428       1.229929  
1 1 1 -30 4  4  o 40.92088 0.6052477 16.75158       0.4950977 16.32539       0.6870031 17.21210       0.7141325 -1.081486      1.210495  
1 1 1 -30 4  5  f 50.55624 0.6679499 25.42331       0.6724288 23.82679       0.9009652 27.43090       1.010318  -3.555904      1.335900  
1 1 1 -30 4  6  o 41.13138 0.6087921 16.88531       0.4998741 16.09552       0.6818988 17.80273       0.7349342 -2.071590      1.217584  
1 1 1 -30 4  7  o 30.65773 0.5763533 9.250717       0.3504080 8.042583       0.4622632 10.88261       0.5372515 -4.626907      1.152707  
1 1 1 -30 4  8  o 74.96329 1.082594  56.33727       1.516734  56.21515       1.841388  56.59495       2.674830  -0.1533203     2.165188  
1 1 1 -30 4  9  o 10.58414 1.604549  1.162994       0.3290398 1.318442       0.4870299 1.032459       0.4462985 1.318975       3.209098  
1 1 1 -30 4  10 o 57.18208 1.052154  32.79659       1.203013  33.57917       1.723191  32.05254       1.680257  1.329884       2.104308  
1 1 1 -30 4  11 o 18.65137 0.9361283 3.346441       0.3363709 4.012478       0.5755503 3.000935       0.4145349 2.695040       1.872257  
1 1 1 -30 4  12 o 42.88776 0.6815996 18.35208       0.5769788 18.83356       0.8964184 18.01152       0.7539044 0.9476929      1.363199  
1 1 1 -30 4  13 o 43.35980 0.6325331 18.82423       0.5485225 18.94940       0.7760748 18.69928       0.7753814 0.2883644      1.265066  
1 1 1 -30 4  14 f 18.40267 0.6745911 3.393408       0.2472442 3.809062       0.3540833 2.997911       0.3453909 2.203249       1.349182  
1 1 1 -30 4  15 o 31.81533 0.5930298 10.13248       0.3773333 10.03494       0.5307854 10.23215       0.5365208 -0.3095570     1.186060  
1 1 1 -30 4  16 o 31.76078 0.5997297 10.02063       0.3794278 11.27487       0.5645996 8.987675       0.5123773 3.597162       1.199459  
1 1 1 -30 4  17 o 17.39058 0.7085586 3.029111       0.2451248 3.461110       0.3527938 2.625907       0.3408331 2.400360       1.417117  
1 1 1 -30 4  18 o 50.89660 0.6884996 25.88199       0.6998928 27.14629       1.022931  24.76918       0.9596888 2.330276       1.376999  
1 1 1 -30 4  19 f 25.53019 0.6259580 6.517741       0.3194067 6.818002       0.4611219 6.240805       0.4428505 1.129107       1.251916  
1 1 1 -30 4  20 o 31.09576 0.7227791 9.728494       0.4333874 9.524484       0.7111037 9.849051       0.5466411 -0.5355949     1.445558  
1 1 1 -30 4  21 f 31.61683 0.7764652 10.06149       0.4887684 9.278366       0.7059417 10.78255       0.6773879 -2.381388      1.552930  
1 1 1 -30 4  22 o 34.99179 0.8368346 12.27294       0.5855016 12.24903       0.8185847 12.29798       0.8377983 -0.6800461E-01 1.673669  
1 1 1 -30 4  23 o 35.06468 0.8448870 12.31747       0.5921906 12.90533       0.8486907 11.75967       0.8267097 1.631355       1.689774  
1 1 1 -30 4  24 o 23.84141 0.8822300 5.706190       0.4200739 5.845287       0.5832572 5.556272       0.6055163 0.6085911      1.764460  
1 1 1 -30 4  25 o 83.47707 1.176516  69.73048       1.850562  69.13137       2.260662  70.94740       3.221877  -0.9439011     2.353031  
1 1 1 -30 4  26 o 46.57155 0.9335809 21.75294       0.8692944 22.01260       1.247847  21.50812       1.211686  0.5371628      1.867162  
1 1 1 -30 4  27 f 31.64228 0.6466287 10.02235       0.4089468 9.521002       0.5714416 10.54865       0.5854905 -1.622629      1.293257  
1 1 1 -30 4  28 o 30.82513 0.6523106 9.492309       0.4014758 9.941933       0.5890158 9.102167       0.5486735 1.358570       1.304621  
1 1 1 -30 4  29 o 32.29950 0.6555867 10.44307       0.4232887 10.65663       0.6104488 10.24529       0.5874544 0.6346989      1.311173  
1 1 1 -30 4  30 o 11.16897 1.272777  1.316652       0.2638680 0.7824911      0.3675961 1.884458       0.3789963 -5.065220      2.545553  
1 1 1 -30 4  31 o 13.81489 0.9740489 1.916744       0.2689513 1.889755       0.3857775 1.942267       0.3751541 -0.1915503     1.948098  
1 1 1 -30 4  32 o 18.62820 0.8150362 3.492945       0.3023912 3.173975       0.4320455 3.799245       0.4233777 -1.679321      1.630072  
1 1 1 -30 4  33 o 37.41663 0.6733513 14.02757       0.5037751 13.98297       0.7195741 14.07045       0.7055249 -0.1183090     1.346703  
1 1 1 -30 4  34 o 9.757289 1.381746  1.038265       0.2663760 0.4697751      0.3825916 1.573107       0.3710966 -5.509548      2.763493  
1 1 1 -30 4  35 o 9.753978 1.991307  0.9324393      0.4294122 1.438798       0.6406184 0.5192927      0.5786586 3.811037       3.982614  
1 1 1 -30 4  36 o 23.44051 0.7537200 5.491270       0.3527114 5.948659       0.5152915 5.088054       0.4838137 1.831589       1.507440  
1 1 1 -30 4  37 o 25.83789 0.7338044 6.693697       0.3791754 6.709972       0.5395452 6.677814       0.5329850 0.6138229E-01  1.467609  
1 1 1 -30 4  38 o 29.65232 0.7078134 8.810395       0.4196416 9.110860       0.6003472 8.523329       0.5868100 0.9890060      1.415627  
1 1 1 -30 4  39 f 24.19064 0.7716751 5.846310       0.3720710 6.573527       0.5436953 5.205760       0.5102695 2.822378       1.543350  
1 1 1 -30 4  40 o 24.64271 0.7675797 6.093074       0.3781300 5.863416       0.5334960 6.324915       0.5360261 -0.9360065     1.535159  
1 1 1 -30 4  41 o 14.84786 1.063112  2.219552       0.3154131 2.105472       0.4450598 2.334665       0.4470699 -0.7713804     2.126224  
1 1 1 -30 4  42 o 28.01224 0.7548285 7.858448       0.4224652 8.195691       0.6144692 7.556129       0.5817821 1.136543       1.509657  
1 1 1 -30 4  43 o 13.65340 1.202441  1.924612       0.3174357 1.371306       0.4506325 2.469595       0.4472303 -4.022914      2.404881  
1 1 1 -30 4  44 f 29.83955 0.7478253 8.909418       0.4455929 9.607765       0.6490130 8.286695       0.6128665 2.207666       1.495651  
1 1 1 -30 4  45 o 18.32756 0.9720048 3.356363       0.3541369 3.922814       0.5228086 2.876088       0.4814005 2.846533       1.944010  
1 1 1 -30 4  46 f 32.09383 0.7587427 10.33208       0.4858131 9.365752       0.6763040 11.36232       0.6983115 -3.106543      1.517485  
1 1 1 -30 4  47 o 15.36064 1.132322  2.390952       0.3454340 2.720742       0.4894705 2.063719       0.4875699 2.138118       2.264645  
1 1 1 -30 4  48 o 34.88578 0.7734523 12.19174       0.5384467 11.09591       0.7437102 13.39893       0.7805846 -3.293858      1.546905  
1 1 1 -30 4  49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 5  1  o 44.54253 0.9482877 19.90890       0.8446469 20.23950       1.191505  19.57495       1.197541  0.7467194      1.896575  
1 1 1 -30 5  2  o 25.49938 0.7735307 6.284075       0.3401533 6.071120       0.3888993 6.977402       0.7017186 -1.747038      1.547061  
1 1 1 -30 5  3  o 64.54597 0.7770283 41.72906       1.002687  41.03409       1.394608  42.47274       1.442638  -1.109795      1.554057  
1 1 1 -30 5  4  f 43.87665 0.6197575 19.20242       0.5426039 18.20947       0.7373507 20.37523       0.8013545 -2.463173      1.239515  
1 1 1 -30 5  5  o 32.85493 0.5727389 10.80666       0.3763223 10.82251       0.5294464 10.79048       0.5349973 0.4912186E-01  1.145478  
1 1 1 -30 5  6  f 9.513944 0.9798338 0.9383820      0.1781653 1.074491       0.2425931 0.7790042      0.2625117 1.679874       1.959668  
1 1 1 -30 5  7  o 47.65858 0.6483332 22.72358       0.6175939 22.15895       0.8553054 23.33868       0.8927147 -1.234848      1.296666  
1 1 1 -30 5  8  f 29.63784 0.5730536 8.752497       0.3387068 9.728710       0.4969271 7.905438       0.4628896 3.073666       1.146107  
1 1 1 -30 5  9  o 43.70415 0.6279728 19.11947       0.5487778 18.87821       0.7663726 19.37337       0.7861845 -0.5650558     1.255946  
1 1 1 -30 5  10 o 54.47202 0.7015018 29.65213       0.7632453 31.03126       1.114818  28.43536       1.047141  2.377373       1.403004  
1 1 1 -30 5  11 o 30.42164 0.5878102 9.212052       0.3565575 8.356101       0.4847711 10.22086       0.5262793 -3.062090      1.175620  
1 1 1 -30 5  12 o 44.22206 0.8146855 19.77649       0.6680453 20.08529       0.8091388 19.11530       1.184017  1.130562       1.629371  
1 1 1 -30 5  13 o 54.10249 1.038779  29.09598       1.116912  27.04860       1.481558  31.79154       1.699978  -4.357582      2.077557  
1 1 1 -30 5  14 o 43.08689 0.9459832 18.61251       0.8150494 18.31781       1.139794  18.92089       1.165959  -0.6970367     1.891966  
1 1 1 -30 5  15 o 19.26727 0.9671242 3.667890       0.3524630 3.893071       0.6150511 3.557779       0.4300891 0.8499031      1.934248  
1 1 1 -30 5  16 o 62.28690 1.276615  38.07848       1.206476  40.43629       2.929302  37.59681       1.323986  2.057247       2.553230  
1 1 1 -30 5  17 o 79.05858 1.119189  61.91599       1.650184  65.08354       2.953625  60.47858       1.989680  2.789276       2.238378  
1 1 1 -30 5  18 o 50.68761 0.9384465 25.55869       0.9465688 27.83587       1.428976  23.77827       1.263539  3.984432       1.876893  
1 1 1 -30 5  19 f 57.41156 1.011898  32.94904       1.159016  34.80421       1.714328  31.38720       1.572973  2.958996       2.023796  
1 1 1 -30 5  20 o 36.00175 0.8299646 12.95134       0.5966698 12.21771       0.8172021 13.78899       0.8732174 -2.176666      1.659929  
1 1 1 -30 5  21 o 33.89698 0.7271587 11.48062       0.4741757 11.40098       0.5932718 11.62148       0.7889889 -0.3080902     1.454317  
1 1 1 -30 5  22 o 36.19892 0.6255407 13.12105       0.4528428 13.16200       0.6448873 13.08122       0.6360373 0.1108971      1.251081  
1 1 1 -30 5  23 o 17.38812 0.7640420 3.027141       0.2655672 2.898649       0.3699131 3.163803       0.3814920 -0.7613373     1.528084  
1 1 1 -30 5  24 o 77.13113 1.263895  59.83565       1.949615  60.18086       2.773964  59.49868       2.740680  0.4367905      2.527791  
1 1 1 -30 5  25 f 61.36217 0.7796184 37.73854       0.9567810 37.73765       1.353642  37.73944       1.352544  -0.1571655E-02 1.559237  
1 1 1 -30 5  26 o 54.24943 0.7305970 29.49024       0.7926621 29.20103       1.120754  29.77970       1.121233  -0.5332909     1.461194  
1 1 1 -30 5  27 o 89.16905 1.019370  79.81155       1.817675  78.86880       2.544926  80.79330       2.597027  -1.071922      2.038740  
1 1 1 -30 5  28 o 67.17779 0.8296211 45.23630       1.114480  44.50978       1.560057  45.99351       1.592675  -1.100632      1.659242  
1 1 1 -30 5  29 o 48.67204 0.7051397 23.69633       0.6858352 22.65692       0.9474823 24.84037       0.9940257 -2.238445      1.410279  
1 1 1 -30 5  30 o 74.75658 0.8940616 56.05340       1.336542  55.29704       1.870592  56.84225       1.910349  -1.028389      1.788123  
1 1 1 -30 5  31 o 39.84763 0.6694061 15.90052       0.5332918 16.16268       0.7667093 15.65481       0.7422616 0.6348724      1.338812  
1 1 1 -30 5  32 o 37.58393 0.6731463 14.15322       0.5059340 14.06829       0.7195573 14.23627       0.7115080 -0.2242661     1.346293  
1 1 1 -30 5  33 o 65.11046 0.8230794 42.50630       1.071614  43.06672       1.533902  41.97200       1.497729  0.8361282      1.646159  
1 1 1 -30 5  34 o 8.695902 1.491828  0.7865282      0.2649797 0.4833035      0.3666389 1.118108       0.3833985 -3.342473      2.983656  
1 1 1 -30 5  35 o 14.68106 1.031004  2.154313       0.2950138 2.882156       0.4384344 1.552113       0.3988013 4.522933       2.062008  
1 1 1 -30 5  36 o 23.73888 0.7639669 5.627608       0.3616606 6.266309       0.5294207 5.068761       0.4952211 2.517744       1.527934  
1 1 1 -30 5  37 o 56.16840 0.7708473 31.61659       0.8654139 32.34832       1.250676  30.94437       1.198736  1.242699       1.541695  
1 1 1 -30 5  38 f 16.37307 0.9397643 2.688495       0.3062284 2.339265       0.4235744 3.070905       0.4432393 -2.230992      1.879529  
1 1 1 -30 5  39 o 53.20781 0.7608487 28.38683       0.8095148 27.83333       1.131997  28.96617       1.158103  -1.060848      1.521697  
1 1 1 -30 5  40 o 24.80112 0.7778476 6.156228       0.3827991 5.154952       0.5264894 7.279195       0.5575657 -4.277849      1.555695  
1 1 1 -30 5  41 o 30.78976 0.7196156 9.491879       0.4425943 8.861835       0.6133152 10.17653       0.6393418 -2.131216      1.439231  
1 1 1 -30 5  42 o 28.67691 0.7446981 8.264274       0.4262989 7.725143       0.6055300 8.794062       0.6002599 -1.864557      1.489396  
1 1 1 -30 5  43 o 36.40178 0.7345812 13.30082       0.5344489 12.72479       0.7548504 13.87983       0.7568029 -1.586193      1.469162  
1 1 1 -30 5  44 o 27.14093 0.7757882 7.394788       0.4210467 7.344515       0.5995395 7.443711       0.5914431 -0.1841316     1.551576  
1 1 1 -30 5  45 o 8.653503 1.687298  0.7528791      0.3092711 1.082009       0.4663419 0.4944712      0.4132126 2.922093       3.374595  
1 1 1 -30 5  46 o 31.52792 0.7642190 9.972240       0.4814778 10.16741       0.6979403 9.795017       0.6650730 0.5844231      1.528438  
1 1 1 -30 5  47 o 25.76204 0.8279016 6.668322       0.4263636 6.689645       0.6129812 6.648338       0.5934324 0.7612419E-01  1.655803  
1 1 1 -30 5  48 o 35.86624 1.468730  0.000000       0.000000  ?              ?         12.96040       1.053556  ?              ?         
1 1 1 -30 6  1  o 27.99209 0.5398126 7.841357       0.3021435 7.713264       0.4219217 7.976189       0.4328797 -0.4688549     1.079625  
1 1 1 -30 6  2  o 29.47664 0.5455182 8.672794       0.3210974 9.341302       0.4680013 8.078206       0.4413686 2.140635       1.091036  
1 1 1 -30 6  3  o 45.83586 0.6295556 21.03448       0.5770555 21.41283       0.8235003 20.66946       0.8088562 0.8097191      1.259111  
1 1 1 -30 6  4  f 11.81337 0.7190794 1.394152       0.1695944 1.286415       0.2334788 1.514493       0.2467570 -0.9641361     1.438159  
1 1 1 -30 6  5  o 38.26926 0.5924731 14.57396       0.4520836 15.99095       0.6705838 13.39336       0.6120970 3.389542       1.184946  
1 1 1 -30 6  6  o 27.03991 0.6332195 7.286304       0.3348316 7.488047       0.5360793 7.157259       0.4287490 0.6033936      1.266439  
1 1 1 -30 6  7  o 38.06812 0.6519547 14.64510       0.4918568 16.17383       0.6774989 12.94144       0.7152136 4.248470       1.303909  
1 1 1 -30 6  8  o 45.04547 0.6323915 20.31758       0.5697157 20.14916       0.8030211 20.48826       0.8084053 -0.3759880     1.264783  
1 1 1 -30 6  9  o 50.22363 0.6693232 25.22705       0.6718063 26.17748       0.9734778 24.36282       0.9282876 1.802998       1.338646  
1 1 1 -30 6  10 o 35.66228 0.5890026 12.65531       0.4188209 11.64715       0.5669295 13.86657       0.6214179 -3.107937      1.178005  
1 1 1 -30 6  11 o 72.50404 0.8514818 52.69278       1.234678  52.45929       1.737830  52.93076       1.754487  -0.3234711     1.702964  
1 1 1 -30 6  12 o 56.38419 0.7219171 31.56931       0.8097280 29.28046       1.078946  34.52074       1.225204  -4.634579      1.443834  
1 1 1 -30 6  13 o 12.47030 0.8734715 1.566685       0.2151169 1.507472       0.3279769 1.611390       0.2849773 -0.4210339     1.746943  
1 1 1 -30 6  14 o 32.65416 0.7680442 10.60635       0.4997737 9.676342       0.6741485 11.74113       0.7446761 -3.155251      1.536088  
1 1 1 -30 6  15 o 33.10257 0.7767200 10.97383       0.5140255 10.77847       0.7148588 11.18299       0.7396592 -0.6087494     1.553440  
1 1 1 -30 6  16 o 65.88437 1.564166  43.58516       2.061082  43.58516       2.061082  ?              ?         ?              ?         
1 1 1 -30 6  17 o 34.45616 1.372027  11.90995       0.9454958 11.90995       0.9454958 ?              ?         ?              ?         
1 1 1 -30 6  18 o 38.74035 0.9680645 15.05533       0.7498572 15.53772       1.065456  14.58189       1.055530  1.232491       1.936129  
1 1 1 -30 6  19 o 75.14796 1.286383  56.78966       1.933221  56.46443       2.713568  57.12486       2.754873  -0.4329529     2.572766  
1 1 1 -30 6  20 o 35.48327 0.8564847 12.61682       0.5839599 12.64487       0.9718466 12.60097       0.7305511 0.3656769E-01  1.712969  
1 1 1 -30 6  21 o 52.52752 0.9490343 28.00578       0.9785745 25.76992       1.501603  29.65631       1.290164  -3.724342      1.898069  
1 1 1 -30 6  22 o 37.30087 0.7633229 14.00856       0.5614740 13.53032       0.8616552 14.36147       0.7402002 -1.125916      1.526646  
1 1 1 -30 6  23 o 37.91874 0.6392630 14.37169       0.4842701 15.01366       0.7053009 13.79909       0.6661017 1.598278       1.278526  
1 1 1 -30 6  24 o 7.853060 1.405192  0.6454360      0.2209802 0.6414192      0.3102907 0.6495702      0.3147840 -0.4939747E-01 2.810385  
1 1 1 -30 6  25 o 58.01364 0.7556255 33.68016       0.8758482 34.77905       1.273918  32.69511       1.206133  1.789177       1.511251  
1 1 1 -30 6  26 o 50.00364 0.7008560 24.99463       0.7000713 23.87853       0.9619896 26.25118       1.020719  -2.366886      1.401712  
1 1 1 -30 6  27 o 19.48069 0.7435203 3.766133       0.2880476 4.367888       0.4302513 3.277332       0.3877739 2.794760       1.487041  
1 1 1 -30 6  28 o 31.01067 0.6510836 9.635691       0.4036205 9.519699       0.5776728 9.746325       0.5641776 -0.3666229     1.302167  
1 1 1 -30 6  29 o 37.99171 0.6580873 14.42766       0.4993803 13.46644       0.6896964 15.48692       0.7240133 -2.655869      1.316175  
1 1 1 -30 6  30 f 15.34041 0.9015876 2.357104       0.2756503 2.643155       0.3986486 2.095039       0.3815689 1.784267       1.803175  
1 1 1 -30 6  31 o 50.39741 0.7167486 25.45149       0.7223096 25.53662       1.032327  25.36984       1.011006  0.1632233      1.433497  
1 1 1 -30 6  32 o 54.57122 0.7466311 29.71621       0.8125687 31.61304       1.206123  28.13978       1.099548  3.170303       1.493262  
1 1 1 -30 6  33 o 19.06066 0.8016137 3.639648       0.3049904 3.333079       0.4241212 3.967957       0.4389014 -1.663528      1.603227  
1 1 1 -30 6  34 o 37.88293 0.6745515 14.32382       0.5099748 15.31936       0.7517542 13.47510       0.6941158 2.427578       1.349103  
1 1 1 -30 6  35 o 28.34850 0.6951004 8.038177       0.3935200 8.367007       0.5758962 7.750154       0.5389789 1.083485       1.390201  
1 1 1 -30 6  36 o 45.69578 0.9711218 20.49705       0.8430302 22.50376       1.468185  19.50999       1.029698  3.201069       1.942244  
1 1 1 -30 6  37 o 18.41818 0.8748466 3.399602       0.3217739 3.674732       0.4646725 3.146122       0.4460148 1.432133       1.749693  
1 1 1 -30 6  38 o 17.86763 0.9006820 3.211226       0.3209480 2.927486       0.4531429 3.496844       0.4546390 -1.593019      1.801364  
1 1 1 -30 6  39 o 24.82340 0.7592437 6.157228       0.3759860 6.803608       0.5496471 5.588782       0.5154479 2.441959       1.518487  
1 1 1 -30 6  40 o 10.51254 1.417452  1.149576       0.2865760 1.229584       0.4209665 1.080474       0.3912253 0.6892576      2.834904  
1 1 1 -30 6  41 o 21.05019 0.8453220 4.399823       0.3514158 5.498693       0.5254548 3.510608       0.4726783 4.713226       1.690644  
1 1 1 -30 6  42 o 26.68316 0.7677544 7.156438       0.4088753 6.633693       0.5786448 7.677713       0.5778301 -1.956465      1.535509  
1 1 1 -30 6  43 o 18.01026 0.9599315 3.260412       0.3436682 3.762983       0.4962303 2.797174       0.4764156 2.677097       1.919863  
1 1 1 -30 6  44 o 52.59490 0.7790049 27.71721       0.8186635 26.44581       1.129394  29.12489       1.188388  -2.536545      1.558010  
1 1 1 -30 6  45 o 24.17906 0.8227900 5.871768       0.3978527 5.949563       0.5670714 5.796352       0.5583276 0.3151264      1.645580  
1 1 1 -30 6  46 o 15.25640 1.188492  2.405088       0.3413236 3.456960       0.4954175 1.454660       0.4709225 6.555254       2.376984  
1 1 1 -30 6  47 o 7.252786 1.683530  0.4486477      0.3074461 0.9874526E-01  0.4263869 0.8275757      0.4437198 -3.224160      3.367060  
1 1 1 -30 6  48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 7  1  o 33.36068 0.5445107 11.12993       0.3630704 11.69235       0.5225192 10.60490       0.5048546 1.628536       1.089021  
1 1 1 -30 7  2  o 54.64157 0.6927263 29.90547       0.7569335 29.55488       1.060018  30.27024       1.081228  -0.6526184     1.385453  
1 1 1 -30 7  3  o 23.12621 0.5250801 5.352530       0.2427857 5.166249       0.3407577 5.544591       0.3460040 -0.8176289     1.050160  
1 1 1 -30 7  4  o 61.99561 0.7535024 38.51217       0.9342275 38.80643       1.329579  38.22522       1.312972  0.4671135      1.507005  
1 1 1 -30 7  5  o 20.66563 0.5420404 4.275481       0.2240184 4.324909       0.3165470 4.225889       0.3170734 0.2396107      1.084081  
1 1 1 -30 7  6  o 38.54598 0.5847458 14.82230       0.4499592 15.84660       0.6607282 13.93642       0.6144643 2.474365       1.169492  
1 1 1 -30 7  7  o 38.29366 0.5857458 14.68158       0.4486022 14.76451       0.6360345 14.59950       0.6328164 0.2152214      1.171492  
1 1 1 -30 7  8  o 41.69568 0.6087548 17.39869       0.5075142 17.86745       0.7275351 16.95436       0.7083179 1.093491       1.217510  
1 1 1 -30 7  9  o 41.83245 0.6141629 17.52248       0.5138373 17.50996       0.7257154 17.53506       0.7276397 -0.2984619E-01 1.228326  
1 1 1 -30 7  10 o 60.87993 0.9578362 37.38589       1.089474  37.76350       1.326382  36.60276       1.910118  1.020367       1.915672  
1 1 1 -30 7  11 o 44.91053 0.7899032 20.29556       0.7065868 18.75476       1.018498  21.72522       0.9810815 -3.310669      1.579806  
1 1 1 -30 7  12 o 13.40909 0.8625005 1.801829       0.2312049 1.777246       0.3213960 1.828197       0.3328511 -0.1887865     1.725001  
1 1 1 -30 7  13 o 25.74932 0.7178440 6.640977       0.3695903 6.438540       0.5193822 6.848640       0.5260407 -0.7957535     1.435688  
1 1 1 -30 7  14 f 64.93933 0.9480892 42.05443       1.166919  41.53736       1.432705  43.07347       2.011298  -1.116753      1.896178  
1 1 1 -30 7  15 o 46.61768 0.6571838 21.69118       0.6115780 22.98547       0.8991490 20.57688       0.8342920 2.578133       1.314368  
1 1 1 -30 7  16 o 34.51738 0.6009240 11.92928       0.4148412 11.84518       0.5855826 12.01400       0.5877715 -0.2443695     1.201848  
1 1 1 -30 7  17 o 81.12797 0.9367501 66.01180       1.519817  66.65218       2.165719  65.39040       2.133341  0.7738953      1.873500  
1 1 1 -30 7  18 o 46.49155 0.7291909 21.52396       0.6677873 20.92854       0.8665283 22.39470       1.047900  -1.560287      1.458382  
1 1 1 -30 7  19 o 57.45261 0.9225291 33.27325       1.048257  31.91963       1.587919  34.31879       1.395559  -2.110306      1.845058  
1 1 1 -30 7  20 o 31.40724 0.6141928 9.859230       0.3853510 9.232687       0.5331858 10.54439       0.5575687 -2.086296      1.228386  
1 1 1 -30 7  21 o 90.72779 1.119128  82.52952       2.001069  81.73498       2.610286  83.66203       3.116377  -0.9883881     2.238256  
1 1 1 -30 7  22 o 7.534138 1.634475  0.5786438      0.2553252 0.6165540      0.2993347 0.4773997      0.4891754 0.2848177      3.268950  
1 1 1 -30 7  23 o 47.16879 1.029277  22.33338       0.9707910 21.69736       1.362795  22.98862       1.383245  -1.365944      2.058553  
1 1 1 -30 7  24 o 20.62772 1.185324  4.334593       0.4822105 3.632088       0.6980664 4.975767       0.6668982 -3.261904      2.370648  
1 1 1 -30 7  25 f 37.65231 1.003996  14.22986       0.7559994 14.43292       1.076740  14.03244       1.061708  0.5297585      2.007993  
1 1 1 -30 7  26 o 10.83851 1.897862  1.235577       0.4078107 1.257803       0.6113218 1.217755       0.5474180 0.1713371      3.795724  
1 1 1 -30 7  27 o 7.996124 1.988758  0.5771132      0.3928381 0.4517703      0.6259362 0.6585667      0.5045862 -0.4144211     3.977516  
1 1 1 -30 7  28 f 20.65211 1.122687  4.347755       0.4186913 4.143961       0.7738604 4.432101       0.4978522 -0.7408848     2.245375  
1 1 1 -30 7  29 o 10.39965 1.668170  1.425786       0.3154557 0.3697717      0.6888162 1.706051       0.3548559 -5.274040      3.336340  
1 1 1 -30 7  30 o 55.01485 0.9519411 30.07356       0.9556352 31.13009       1.772510  29.64060       1.134669  1.266212       1.903882  
1 1 1 -30 7  31 o 42.24264 0.7348909 17.83667       0.6115006 18.16426       0.9550796 17.60907       0.7960618 0.6395569      1.469782  
1 1 1 -30 7  32 o 14.29878 0.9656448 2.058743       0.2752855 1.961771       0.3993714 2.146524       0.3799775 -0.6490183     1.931290  
1 1 1 -30 7  33 o 15.70772 0.8847169 2.481331       0.2773715 2.330608       0.3957697 2.626828       0.3888469 -0.9439411     1.769434  
1 1 1 -30 7  34 o 45.88995 0.7067040 21.03887       0.6470785 22.12688       0.9559606 20.11881       0.8790801 2.178413       1.413408  
1 1 1 -30 7  35 o 26.11096 0.7162745 6.805248       0.3731586 7.284520       0.5514156 6.400316       0.5068486 1.687538       1.432549  
1 1 1 -30 7  36 f 66.63306 0.8432518 44.55333       1.123651  44.83580       1.602714  44.28026       1.575792  0.4128494      1.686504  
1 1 1 -30 7  37 f 25.30997 0.7490821 6.418227       0.3787899 6.551264       0.5505485 6.298643       0.5219727 0.4951859      1.498164  
1 1 1 -30 7  38 o 49.68082 0.7421290 24.69869       0.7362952 25.75377       1.077763  23.77529       1.008265  1.981422       1.484258  
1 1 1 -30 7  39 o 12.10768 1.224815  1.478825       0.2964770 1.448304       0.4221618 1.508527       0.4164599 -0.2500772     2.449630  
1 1 1 -30 7  40 o 31.79208 0.7158279 10.08063       0.4538876 11.05338       0.6709512 9.259866       0.6163121 2.812836       1.431656  
1 1 1 -30 7  41 o 7.179630 1.685115  0.4934797      0.2830381 0.5799397      0.4138001 0.4174660      0.3879973 0.8562603      3.370231  
1 1 1 -30 7  42 o 14.18408 1.167968  2.086711       0.3190705 1.466405       0.4560992 2.681237       0.4465207 -4.284777      2.335935  
1 1 1 -30 7  43 o 6.771676 1.780479  0.3005373      0.3239138 0.1136266      0.4156420 0.5896180      0.5169063 -2.274341      3.560958  
1 1 1 -30 7  44 o 5.684941 1.636944  0.8728907E-01  0.3082194 -0.2331105     0.4777372 0.3157426      0.4034058 -1.338320      3.273888  
1 1 1 -30 7  45 o 9.495058 2.015526  0.9466764      0.3768861 0.7562748      0.7995639 1.001065       0.4273383 -0.4738464     4.031053  
1 1 1 -30 7  46 o 17.88667 1.525323  3.504526       0.4511799 2.790835       0.9020386 3.742649       0.5210395 -2.794456      3.050646  
1 1 1 -30 7  47 o 24.31620 2.237484  0.000000       0.000000  ?              ?         6.015701       1.088142  ?              ?         
1 1 1 -30 8  1  f 26.32157 1.034506  6.951316       0.5433390 7.622841       0.7810105 6.321483       0.7563764 2.468546       2.069012  
1 1 1 -30 8  2  f 24.21738 1.059982  5.891929       0.5129207 5.932740       0.7115784 5.847790       0.7400160 0.1794949      2.119964  
1 1 1 -30 8  3  o 55.45840 1.073641  30.89097       1.190616  30.82853       1.666648  30.95604       1.701464  -0.1098976     2.147282  
1 1 1 -30 8  4  o 16.04574 1.339437  2.579107       0.4280116 2.266327       0.5848011 2.939937       0.6281170 -2.091236      2.678873  
1 1 1 -30 8  5  o 33.46598 0.7891970 10.98052       0.4450775 10.77721       0.5052654 11.68461       0.9402874 -1.311356      1.578394  
1 1 1 -30 8  6  o 41.91073 0.6011252 17.58891       0.5038689 17.64607       0.7122924 17.53165       0.7128647 0.1365471      1.202250  
1 1 1 -30 8  7  o 31.37062 0.5502425 9.832581       0.3448743 10.31527       0.5015690 9.399735       0.4749690 1.457304       1.100485  
1 1 1 -30 8  8  o 59.28635 0.8701270 35.34732       0.9935305 34.86784       1.637941  35.62642       1.249680  -0.6830902     1.740254  
1 1 1 -30 8  9  o 76.96255 1.220832  59.54101       1.878890  58.86362       2.629827  60.24730       2.685346  -0.8902130     2.441664  
1 1 1 -30 8  10 o 54.62147 0.9334770 29.91177       1.019433  29.24385       1.419995  30.62214       1.464422  -1.256382      1.866954  
1 1 1 -30 8  11 o 96.90002 1.308537  94.33376       2.402249  94.03468       2.955153  94.91639       4.124735  -0.2626953     2.617074  
1 1 1 -30 8  12 o 20.11567 1.188555  4.061684       0.4738579 3.362998       0.6533314 4.837183       0.6883085 -3.659035      2.377110  
1 1 1 -30 8  13 f 40.14963 0.6163327 16.14079       0.4948897 16.02224       0.6959819 16.26203       0.7038439 -0.2980003     1.232665  
1 1 1 -30 8  14 o 25.22519 0.7109061 6.335166       0.3573061 7.150858       0.5273741 5.643018       0.4857969 2.985004       1.421812  
1 1 1 -30 8  15 o 15.82444 0.7486763 2.494899       0.2360019 2.665014       0.3534854 2.358087       0.3170014 0.9663000      1.497353  
1 1 1 -30 8  16 o 43.50340 0.6412994 18.78215       0.5551547 20.71360       0.8380840 17.27205       0.7410541 3.947502       1.282599  
1 1 1 -30 8  17 o 49.78986 0.6818631 24.77127       0.6780229 23.71497       0.9289132 25.97574       0.9919235 -2.264751      1.363726  
1 1 1 -30 8  18 o 56.87759 0.7350385 32.34475       0.8349797 31.13685       1.144505  33.71922       1.220870  -2.262783      1.470077  
1 1 1 -30 8  19 f 77.47824 0.9073265 60.07275       1.403543  57.95284       1.917961  62.51683       2.059398  -2.928398      1.814653  
1 1 1 -30 8  20 f 87.59355 0.9995703 76.80830       1.747537  73.96606       2.381134  80.12638       2.572756  -3.490891      1.999141  
1 1 1 -30 8  21 f 60.52330 0.7649826 36.60976       0.9243519 35.05626       1.262207  38.40654       1.357444  -2.757954      1.529965  
1 1 1 -30 8  22 f 30.68583 0.6178704 9.409084       0.3785701 8.684812       0.5230746 10.20575       0.5485946 -2.476116      1.235741  
1 1 1 -30 8  23 o 22.46684 0.6561664 5.054593       0.2935933 4.451420       0.4085289 5.698862       0.4222164 -2.774967      1.312333  
1 1 1 -30 8  24 f 35.43158 0.6298929 12.57351       0.4463516 12.52484       0.6325974 12.62177       0.6298844 -0.1370239     1.259786  
1 1 1 -30 8  25 o 18.23827 0.7353317 3.331277       0.2675793 3.024719       0.3727901 3.657060       0.3843010 -1.732384      1.470663  
1 1 1 -30 8  26 o 32.99821 0.6335666 10.90256       0.4180543 11.17473       0.5973800 10.64134       0.5852427 0.8071175      1.267133  
1 1 1 -30 8  27 o 5.713295 1.443542  0.2437301      0.2219887 0.3522183E-01  0.3153681 0.4485026      0.3125302 -1.969055      2.887084  
1 1 1 -30 8  28 o 11.51691 1.049541  1.334420       0.2406321 1.498729       0.3433686 1.175846       0.3373222 1.400851       2.099081  
1 1 1 -30 8  29 f 36.86389 0.6532396 13.61421       0.4815706 13.37500       0.6803480 13.85441       0.6817414 -0.6501083     1.306479  
1 1 1 -30 8  30 o 8.311025 1.536600  0.7557028      0.2713551 1.004274       0.3520945 0.3920895      0.4258471 3.030537       3.073200  
1 1 1 -30 8  31 o 5.297726 1.493704  0.1193841      0.2499976 0.2879706      0.3143080 -0.1709508     0.4124711 1.083046       2.987407  
1 1 1 -30 8  32 f 29.17683 0.8868313 7.947200       0.4693821 7.220830       0.5467707 9.982246       0.9151951 -4.677021      1.773663  
1 1 1 -30 8  33 o 18.03054 1.111787  3.113171       0.3675092 2.898307       0.4329900 3.666806       0.6950375 -2.080418      2.223574  
1 1 1 -30 8  34 f 20.80754 1.047302  4.417504       0.3968727 4.513528       0.4749760 4.195391       0.7223830 0.8088322      2.094605  
1 1 1 -30 8  35 o 51.36533 0.9392886 26.92555       0.9072937 27.81252       1.118361  25.21781       1.551804  2.596165       1.878577  
1 1 1 -30 8  36 o 32.41427 0.8993989 10.23325       0.5335736 9.794332       0.6309454 11.33527       0.9997612 -2.317839      1.798798  
1 1 1 -30 8  37 o 18.34151 1.476060  3.317788       0.5346086 4.033896       0.8378068 2.825931       0.6943424 3.253159       2.952121  
1 1 1 -30 8  38 f 19.84184 1.176567  4.051917       0.4157930 4.160136       0.4911968 3.778352       0.7809708 1.026724       2.353135  
1 1 1 -30 8  39 o 15.54326 1.347030  2.263752       0.3773084 2.058676       0.4377110 2.856792       0.7443415 -2.484942      2.694059  
1 1 1 -30 8  40 o 9.444584 1.852741  1.006038       0.3548506 1.167701       0.4135128 0.5544140      0.6911492 2.251781       3.705482  
1 1 1 -30 8  41 o 25.07742 1.049198  6.130658       0.4767430 5.872552       0.5599038 6.811141       0.9091238 -1.790512      2.098395  
1 1 1 -30 8  42 f 17.24694 1.350063  3.108406       0.4082686 3.227489       0.4797379 2.795652       0.7774672 1.336523       2.700127  
1 1 1 -30 8  43 o 28.06371 0.8795462 8.000811       0.4864225 8.525712       0.6486818 7.326501       0.7352293 2.153809       1.759092  
1 1 1 -30 8  44 o 20.56979 0.9982533 4.265285       0.4050631 4.293732       0.5318191 4.225982       0.6251149 0.1869698      1.996507  
1 1 1 -30 8  45 o 8.342431 1.681835  0.7197080      0.3046815 0.9658110      0.4295872 0.4706090      0.4321941 2.417777       3.363671  
1 1 1 -30 8  46 o 8.867489 1.830539  0.8099574      0.3400361 0.7597001      0.4406339 0.8839508      0.5346566 -0.6811514     3.661077  
1 1 1 -30 8  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 9  1  o 44.71400 1.277803  19.72432       1.062543  21.21285       1.921450  19.06862       1.275275  2.281055       2.555605  
1 1 1 -30 9  2  o 46.46484 1.984687  0.000000       0.000000  ?              ?         21.75813       1.844363  ?              ?         
1 1 1 -30 9  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 9  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 9  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 9  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 9  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 9  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 9  9  o 25.79971 0.5508578 6.671541       0.2834066 7.315436       0.4031857 6.042679       0.3984511 2.466263       1.101716  
1 1 1 -30 9  10 o 55.64903 0.7083572 31.02229       0.7883186 30.69920       1.105902  31.35605       1.124020  -0.5884590     1.416714  
1 1 1 -30 9  11 o 21.07342 0.5604935 4.441628       0.2360891 4.656721       0.3395913 4.240421       0.3284483 0.9869080      1.120987  
1 1 1 -30 9  12 o 34.44315 0.5759208 11.86272       0.3964677 11.43106       0.5488713 12.33366       0.5733068 -1.308411      1.151842  
1 1 1 -30 9  13 o 19.51564 0.5951772 3.774956       0.2295316 3.027269       0.3093618 4.690617       0.3423530 -4.258993      1.190354  
1 1 1 -30 9  14 o 25.75372 1.076203  6.601247       0.5510743 5.702838       0.7438518 7.694179       0.8204381 -3.855194      2.152406  
1 1 1 -30 9  15 o 11.61360 0.8111974 1.357985       0.1873399 1.516768       0.2639701 1.196849       0.2659180 1.377559       1.622395  
1 1 1 -30 9  16 o 41.00464 0.6268847 16.80176       0.5135358 15.90730       0.7076604 17.79679       0.7463845 -2.300751      1.253769  
1 1 1 -30 9  17 o 10.43186 0.9766919 1.120019       0.1878880 0.6998979      0.2565511 1.606020       0.2759340 -4.453496      1.953384  
1 1 1 -30 9  18 o 30.89344 0.5920438 9.515850       0.3649655 8.733576       0.4988135 10.41711       0.5354055 -2.721815      1.184088  
1 1 1 -30 9  19 o 11.91109 0.8812847 1.454850       0.2004995 0.9491304      0.2793958 1.991801       0.2878934 -4.375922      1.762569  
1 1 1 -30 9  20 o 19.38679 0.6657274 3.765191       0.2580459 3.645729       0.3639590 3.885940       0.3659130 -0.6193466     1.331455  
1 1 1 -30 9  21 f 44.52196 0.6586962 19.80594       0.5857626 18.86491       0.8039300 20.87092       0.8552352 -2.248222      1.317392  
1 1 1 -30 9  22 o 19.05887 0.6911030 3.639067       0.2634299 3.657594       0.3736048 3.620747       0.3714963 0.9646606E-01  1.382206  
1 1 1 -30 9  23 o 36.26782 0.6280644 13.17110       0.4555149 12.90295       0.6391556 13.44788       0.6493562 -0.7503662     1.256129  
1 1 1 -30 9  24 o 28.19251 0.6372977 7.926614       0.3574643 6.854978       0.4896136 9.149890       0.5231088 -4.067051      1.274595  
1 1 1 -30 9  25 f 41.31315 0.6533623 17.09910       0.5398015 16.89660       0.7650793 17.29983       0.7617209 -0.4883270     1.306725  
1 1 1 -30 9  26 o 40.35881 0.6512253 16.28980       0.5250660 16.87212       0.7649345 15.77096       0.7220323 1.360123       1.302451  
1 1 1 -30 9  27 o 20.71853 0.7114219 4.308486       0.2943137 4.118401       0.4218596 4.488739       0.4108053 -0.8948898     1.422844  
1 1 1 -30 9  28 o 34.62871 0.6442549 12.00561       0.4460061 12.23995       0.6421572 11.78721       0.6199257 0.6515617      1.288510  
1 1 1 -30 9  29 o 21.35792 0.7132407 4.577812       0.3035675 4.097990       0.4262964 5.071443       0.4323869 -2.278231      1.426481  
1 1 1 -30 9  30 o 48.29686 0.7032211 23.36485       0.6790439 22.60623       0.9477167 24.16519       0.9734254 -1.610989      1.406442  
1 1 1 -30 9  31 f 6.498492 1.305864  0.3134521      0.2327908 -0.2483050     0.3329243 0.8508590      0.3256288 -5.044815      2.611729  
1 1 1 -30 9  32 o 21.95407 0.7327990 4.842035       0.3209211 4.677915       0.4661732 4.989880       0.4424568 -0.7135410     1.465598  
1 1 1 -30 9  33 o 28.85996 0.6914865 8.354960       0.3988286 8.106422       0.5691288 8.594785       0.5590636 -0.8473148     1.382973  
1 1 1 -30 9  34 o 21.31990 0.7510089 4.572117       0.3192383 4.290976       0.4599502 4.833443       0.4434443 -1.274393      1.502018  
1 1 1 -30 9  35 o 29.93337 0.6923857 8.986914       0.4128087 7.950866       0.5766807 10.07575       0.5911890 -3.547546      1.384771  
1 1 1 -30 9  36 o 26.68702 0.7108514 7.103055       0.3783624 7.693206       0.5606917 6.609619       0.5126942 2.023752       1.421703  
1 1 1 -30 9  37 o 9.592392 1.429427  0.9687735      0.2657652 0.8624755      0.3801343 1.070410       0.3717048 -1.082837      2.858854  
1 1 1 -30 9  38 o 30.87124 0.7153351 9.572516       0.4409817 9.156209       0.6317375 9.968146       0.6158504 -1.317307      1.430670  
1 1 1 -30 9  39 o 27.42897 0.7338410 7.546807       0.4024451 7.576188       0.5768769 7.518951       0.5617126 0.1020012      1.467682  
1 1 1 -30 9  40 f 12.31086 1.243327  1.562144       0.2915972 1.171682       0.4050052 1.982403       0.4201746 -3.438545      2.486654  
1 1 1 -30 9  41 o 19.56836 0.8813168 3.803222       0.3428422 4.401585       0.5162392 3.331074       0.4585716 2.724119       1.762634  
1 1 1 -30 9  42 o 31.07848 0.7428508 9.631911       0.4599498 10.38335       0.6884899 9.026233       0.6181197 2.171515       1.485702  
1 1 1 -30 9  43 o 32.65266 0.7510057 10.70666       0.4899171 10.60185       0.7075674 10.80317       0.6790095 -0.3133507     1.502011  
1 1 1 -30 9  44 o 18.81346 0.9407206 3.556945       0.3537065 3.740697       0.5104581 3.387234       0.4905677 0.9346752      1.881441  
1 1 1 -30 9  45 o 17.04230 1.061058  2.902646       0.3585298 3.494143       0.5318071 2.409805       0.4854352 3.169322       2.122116  
1 1 1 -30 9  46 o 43.66039 2.040819  0.000000       0.000000  ?              ?         19.34375       1.782059  ?              ?         
1 1 1 -30 10 1  o 23.01238 1.166495  5.326656       0.5366967 5.168002       0.7589520 5.485353       0.7590555 -0.6895027     2.332989  
1 1 1 -30 10 2  o 62.21353 1.163585  38.92350       1.447728  39.22086       2.041654  38.62278       2.053187  0.4826202      2.327170  
1 1 1 -30 10 3  o 43.90997 1.033460  19.36492       0.9073729 19.36592       1.269637  19.36387       1.297246  0.6454468E-02  2.066921  
1 1 1 -30 10 4  o 13.25063 4.064357  0.000000       0.000000  ?              ?         1.824705       1.179440  ?              ?         
1 1 1 -30 10 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 10 6  o 29.95470 2.156717  9.054476       1.292076  9.054476       1.292076  ?              ?         ?              ?         
1 1 1 -30 10 7  o 53.58818 1.088609  28.83788       1.166437  29.75121       1.666510  27.96072       1.633177  1.665619       2.177218  
1 1 1 -30 10 8  o 32.24156 1.012287  10.42239       0.6522940 10.05358       0.9022173 10.82630       0.9441787 -1.192522      2.024574  
1 1 1 -30 10 9  o 17.40415 1.336913  3.059959       0.4637961 2.851532       0.6672148 3.254832       0.6451548 -1.162638      2.673825  
1 1 1 -30 10 10 o 7.328188 1.968675  0.3731758      0.4039711 0.2130437      0.5787035 0.5253692      0.5641764 -1.014000      3.937350  
1 1 1 -30 10 11 o 24.18068 0.5318003 5.828368       0.2566108 6.363210       0.3766121 5.364885       0.3505888 2.062422       1.063601  
1 1 1 -30 10 12 o 51.27417 0.6782896 26.21897       0.6936663 24.80361       0.9393743 27.91625       1.028682  -3.027061      1.356579  
1 1 1 -30 10 13 o 6.129663 1.083874  0.3849862      0.1362004 0.2484255      0.1866210 0.5406228      0.1992294 -2.168880      2.167748  
1 1 1 -30 10 14 o 61.75024 0.7663851 38.19280       0.9460195 37.49060       1.313161  38.95048       1.364037  -1.176785      1.532770  
1 1 1 -30 10 15 o 54.30189 0.7090663 29.53501       0.7698709 29.17358       1.074157  29.91678       1.103979  -0.6814461     1.418133  
1 1 1 -30 10 16 o 26.83157 0.5791563 7.170275       0.3097560 8.040243       0.4555866 6.422383       0.4224141 3.012232       1.158313  
1 1 1 -30 10 17 o 59.06416 0.7479383 34.95180       0.8833584 34.50697       1.234693  35.41827       1.264350  -0.7684212     1.495877  
1 1 1 -30 10 18 o 22.10156 0.6008950 4.892285       0.2654367 5.125678       0.3770759 4.663035       0.3737151 1.046350       1.201790  
1 1 1 -30 10 19 f 25.24560 0.5961099 6.376705       0.3007741 6.051951       0.4191908 6.721302       0.4318075 -1.324640      1.192220  
1 1 1 -30 10 20 o 13.85319 0.7620201 1.923407       0.2108739 1.799332       0.2956978 2.051809       0.3008094 -0.9107180     1.524040  
1 1 1 -30 10 21 f 37.53603 0.6214891 14.06326       0.4657689 15.09136       0.6819223 13.16419       0.6376933 2.563210       1.242978  
1 1 1 -30 10 22 o 20.98425 0.6575273 4.404052       0.2754580 4.792546       0.3976065 4.045502       0.3819764 1.778536       1.315055  
1 1 1 -30 10 23 f 35.08404 0.6315600 12.14577       0.4397063 13.92602       0.6744102 10.82947       0.5799109 4.404350       1.263120  
1 1 1 -30 10 24 o 73.81700 0.8828419 54.65779       1.303262  54.12997       1.828431  55.20289       1.858109  -0.7229156     1.765684  
1 1 1 -30 10 25 o 30.83957 0.6395569 9.530547       0.3943162 9.347772       0.5619774 9.707796       0.5534157 -0.5845070     1.279114  
1 1 1 -30 10 26 o 58.34116 0.7644896 34.12078       0.8920074 33.84505       1.260268  34.39758       1.262713  -0.4732513     1.528979  
1 1 1 -30 10 27 o 75.73093 0.9040116 57.55339       1.369203  57.11918       1.929088  57.99420       1.943686  -0.5756760     1.808023  
1 1 1 -30 10 28 o 59.04398 0.7724658 34.94055       0.9119782 34.13882       1.273667  35.78405       1.306421  -1.389153      1.544932  
1 1 1 -30 10 29 o 51.50209 0.7251101 26.57360       0.7466268 25.66591       1.041677  27.53257       1.070701  -1.808670      1.450220  
1 1 1 -30 10 30 o 33.47229 0.6627286 11.21535       0.4426942 11.41474       0.6502928 11.04313       0.6043563 0.5498123      1.325457  
1 1 1 -30 10 31 o 19.71683 0.7693422 3.905173       0.3022399 3.822376       0.4445436 3.976343       0.4121550 -0.3948269     1.538684  
1 1 1 -30 10 32 o 15.36809 0.8882486 2.362655       0.2724700 2.574297       0.3981276 2.176194       0.3736934 1.291402       1.776497  
1 1 1 -30 10 33 o 23.76582 0.7192294 5.672344       0.3412750 5.372405       0.4874083 5.960817       0.4780006 -1.239140      1.438459  
1 1 1 -30 10 34 o 46.05922 0.7175828 21.20607       0.6599403 19.70821       0.9067793 22.89292       0.9622850 -3.449932      1.435166  
1 1 1 -30 10 35 o 26.01499 0.7110801 6.739788       0.3685268 7.319332       0.5518284 6.273232       0.4951220 2.002907       1.422160  
1 1 1 -30 10 36 o 21.75930 0.7794673 4.760308       0.3382873 4.367631       0.4793714 5.149853       0.4774553 -1.797735      1.558935  
1 1 1 -30 10 37 o 37.54058 0.6985801 14.13193       0.5240332 14.13089       0.7572357 14.13288       0.7259442 -0.7034302E-02 1.397160  
1 1 1 -30 10 38 o 14.10855 1.388369  1.910106       0.3523401 1.788494       0.4101434 2.252650       0.6883454 -1.564164      2.776738  
1 1 1 -30 10 39 o 30.82596 0.7215216 9.554165       0.4436866 8.824705       0.6304798 10.26985       0.6244982 -2.345001      1.443043  
1 1 1 -30 10 40 o 23.58969 0.7818055 5.551402       0.3676475 6.181071       0.5436799 5.020873       0.4990469 2.451437       1.563611  
1 1 1 -30 10 41 o 31.93440 0.7326050 10.22147       0.4669322 9.333401       0.6490877 11.17391       0.6722025 -2.877880      1.465210  
1 1 1 -30 10 42 o 27.23341 0.7669448 7.439913       0.4172931 7.566238       0.6062083 7.326145       0.5752881 0.4352131      1.533890  
1 1 1 -30 10 43 o 30.58220 0.7435311 9.388309       0.4546285 9.430821       0.6519572 9.348067       0.6342903 0.1320038      1.487062  
1 1 1 -30 10 44 o 39.71800 0.8809655 15.69899       0.6852478 16.63818       1.099351  15.10223       0.8763137 1.885220       1.761931  
1 1 1 -30 10 45 o 27.13294 1.396470  0.000000       0.000000  ?              ?         7.412364       0.7578065 ?              ?         
1 1 1 -30 11 1  o 40.98648 1.046878  16.78161       0.8556440 18.24970       1.269542  15.55968       1.158231  3.263931       2.093755  
1 1 1 -30 11 2  o 56.28756 2.462245  0.000000       0.000000  ?              ?         32.08556       2.771875  ?              ?         
1 1 1 -30 11 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 11 4  o 40.77196 1.510527  16.70199       1.231743  16.70199       1.231743  ?              ?         ?              ?         
1 1 1 -30 11 5  o 11.18310 1.996347  1.321808       0.4467343 1.360644       0.6161010 1.278751       0.6487154 0.3385143      3.992694  
1 1 1 -30 11 6  o 59.26068 1.144223  35.30085       1.356015  35.96326       1.931650  34.65724       1.904037  1.097336       2.288446  
1 1 1 -30 11 7  o 21.48069 1.224817  4.641686       0.5251217 4.253465       0.7341985 5.048275       0.7513676 -1.847029      2.449633  
1 1 1 -30 11 8  o 20.67946 1.238753  4.302801       0.5123218 4.260105       0.7223513 4.346017       0.7267334 -0.2069435     2.477506  
1 1 1 -30 11 9  o 33.14483 1.027558  11.01247       0.6805415 10.53072       0.9388990 11.54574       0.9878262 -1.524055      2.055115  
1 1 1 -30 11 10 o 15.49239 1.556085  2.449411       0.4638644 1.925059       0.6354851 3.047408       0.6786467 -3.796930      3.112169  
1 1 1 -30 11 11 o 24.66619 1.109384  6.094393       0.5453611 5.412394       0.7503447 6.858102       0.7940214 -2.923750      2.218768  
1 1 1 -30 11 12 o 13.78301 1.658082  1.942507       0.4466158 2.136770       0.6511368 1.769916       0.6137409 1.525105       3.316165  
1 1 1 -30 11 13 o 35.74722 0.5777200 12.79532       0.4129912 12.53597       0.5823067 13.05782       0.5858245 -0.7296295     1.155440  
1 1 1 -30 11 14 o 73.85893 0.8713889 54.61626       1.285382  52.94454       1.762212  56.51695       1.879013  -2.404091      1.742778  
1 1 1 -30 11 15 o 21.20474 0.5911390 4.464662       0.2496264 5.025897       0.3727331 4.008203       0.3361452 2.396637       1.182278  
1 1 1 -30 11 16 f 61.79794 0.7729650 38.24898       0.9549015 37.23080       1.325778  39.34658       1.376520  -1.706291      1.545930  
1 1 1 -30 11 17 o 80.58167 1.374873  65.36970       2.214603  67.26192       3.196652  63.62334       3.070970  2.233017       2.749746  
1 1 1 -30 11 18 f 28.67254 0.5995043 8.210820       0.3430056 7.469554       0.4728731 9.033913       0.4982906 -2.725780      1.199009  
1 1 1 -30 11 19 o 24.97095 0.6002318 6.221196       0.2990576 6.849005       0.4370184 5.668281       0.4101243 2.361855       1.200464  
1 1 1 -30 11 20 o 24.98867 0.6054162 6.225920       0.3014463 5.516760       0.4127086 7.036925       0.4413500 -3.039183      1.210832  
1 1 1 -30 11 21 o 17.49972 0.6918526 3.076687       0.2401746 3.582783       0.3437249 2.593852       0.3357326 2.824762       1.383705  
1 1 1 -30 11 22 o 17.24257 0.7065631 2.972685       0.2399742 3.721662       0.3515362 2.319074       0.3283941 4.064859       1.413126  
1 1 1 -30 11 23 o 30.35791 0.6193401 9.229178       0.3759867 9.324924       0.5370810 9.137156       0.5265270 0.3082924      1.238680  
1 1 1 -30 11 24 o 49.97015 0.7003062 24.81879       0.6966521 27.18545       1.048634  22.94906       0.9320657 4.226604       1.400612  
1 1 1 -30 11 25 o 55.39944 0.7366566 30.74027       0.8158138 30.01752       1.132419  31.52012       1.176302  -1.351124      1.473313  
1 1 1 -30 11 26 o 25.41596 0.6541820 6.425267       0.3313016 7.178010       0.4925173 5.803176       0.4477396 2.699934       1.308364  
1 1 1 -30 11 27 o 63.96800 0.8065630 41.00769       1.031364  39.84208       1.431162  42.26706       1.487615  -1.887810      1.613126  
1 1 1 -30 11 28 o 31.82772 0.6551495 10.15613       0.4168354 9.860627       0.5921932 10.44630       0.5868321 -0.9206696     1.310299  
1 1 1 -30 11 29 o 30.81832 0.6625341 9.494081       0.4072653 8.557861       0.5619398 10.52994       0.5910850 -3.196129      1.325068  
1 1 1 -30 11 30 o 22.77523 0.7005326 5.187649       0.3186733 5.438443       0.4655452 4.966527       0.4371392 1.032524       1.401065  
1 1 1 -30 11 31 o 22.89127 0.7149523 5.206233       0.3258301 5.809190       0.4892783 4.725753       0.4367667 2.359846       1.429905  
1 1 1 -30 11 32 o 57.49471 0.7739027 33.12179       0.8892136 34.00972       1.288730  32.31490       1.228506  1.465527       1.547805  
1 1 1 -30 11 33 o 12.27939 1.098068  1.530730       0.2661326 1.249320       0.3767302 1.811062       0.3760076 -2.287482      2.196135  
1 1 1 -30 11 34 o 47.03937 0.7194623 22.15224       0.6760468 22.92308       0.9858887 21.46807       0.9288116 1.538654       1.438925  
1 1 1 -30 11 35 f 21.28243 0.7687196 4.552096       0.3261153 4.106896       0.4594724 5.004043       0.4629404 -2.107185      1.537439  
1 1 1 -30 11 36 o 34.37804 0.6872061 11.84519       0.4722689 12.00608       0.6802847 11.69552       0.6561473 0.4483490      1.374412  
1 1 1 -30 11 37 o 31.40362 0.7068482 9.902198       0.4434136 9.395686       0.6296326 10.40058       0.6245612 -1.600737      1.413696  
1 1 1 -30 11 38 o 38.56136 1.166177  15.00087       0.8968502 14.95364       1.317495  15.04166       1.224302  -0.1384010     2.332354  
1 1 1 -30 11 39 o 24.27175 0.7783422 5.926394       0.3769792 5.557599       0.5387521 6.280182       0.5276786 -1.490421      1.556684  
1 1 1 -30 11 40 o 25.79542 0.7616885 6.666265       0.3897953 5.573102       0.5369784 7.883929       0.5667318 -4.474039      1.523377  
1 1 1 -30 11 41 o 9.025393 1.530754  0.8618230      0.2812001 1.196604       0.4002131 0.5353957      0.3951885 3.369032       3.061507  
1 1 1 -30 11 42 f 35.55613 0.8324143 12.29393       0.5728546 11.19521       0.7119924 14.31079       0.9646538 -4.328358      1.664829  
1 1 1 -30 11 43 o 10.83021 1.640120  1.231900       0.3434905 1.148129       0.4630674 1.334381       0.5121739 -0.8172445     3.280241  
1 1 1 -30 11 44 f 19.17443 1.569693  0.000000       0.000000  ?              ?         3.708307       0.6019593 ?              ?         
1 1 1 -30 12 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 12 2  o 31.25907 2.283975  9.887684       1.427899  9.887684       1.427899  ?              ?         ?              ?         
1 1 1 -30 12 3  o 33.51560 1.073316  11.26032       0.7151245 13.06933       1.040459  9.640553       0.9845343 5.105839       2.146632  
1 1 1 -30 12 4  o 24.84901 1.164337  6.210604       0.5784463 6.435740       0.8222180 5.989981       0.8139381 0.8954639      2.328673  
1 1 1 -30 12 5  o 15.43364 1.565539  2.412691       0.4813038 2.661138       0.6810489 2.164803       0.6802844 1.607787       3.131079  
1 1 1 -30 12 6  o 34.50764 1.064039  11.95815       0.7339097 12.55430       1.049774  11.38821       1.026430  1.685932       2.128078  
1 1 1 -30 12 7  o 45.49677 1.052878  20.65346       0.9547282 22.99014       1.416805  18.70981       1.292165  4.684711       2.105755  
1 1 1 -30 12 8  o 30.63529 1.080263  9.419574       0.6614953 9.068161       0.9173940 9.800160       0.9547130 -1.188789      2.160525  
1 1 1 -30 12 9  o 9.727911 2.060151  0.9513241      0.4459751 0.6210238      0.6236245 1.297061       0.6380304 -2.717440      4.120303  
1 1 1 -30 12 10 o 27.71399 1.104738  7.682230       0.6108233 7.059011       0.8324069 8.409338       0.8991139 -2.425407      2.209476  
1 1 1 -30 12 11 o 29.10528 1.088450  8.422832       0.6293667 7.215294       0.8463146 9.916867       0.9413728 -4.625948      2.176900  
1 1 1 -30 12 12 o 14.47296 1.676396  2.152620       0.4725124 1.914189       0.6625808 2.399364       0.6740332 -1.881922      3.352792  
1 1 1 -30 12 13 o 28.30629 1.099417  8.052341       0.6220949 8.396708       0.8846269 7.715427       0.8750020 1.201864       2.198834  
1 1 1 -30 12 14 o 16.03874 1.101810  2.105100       0.2784586 1.856660       0.3033279 3.436521       0.7021979 -4.860528      2.203619  
1 1 1 -30 12 15 o 79.81897 0.9273887 63.91747       1.480121  64.81734       2.121031  63.06334       2.066451  1.091331       1.854777  
1 1 1 -30 12 16 o 68.51626 0.8277946 47.04528       1.133848  48.14989       1.633433  46.01806       1.575161  1.548660       1.655589  
1 1 1 -30 12 17 o 19.40783 0.6237804 3.764772       0.2414242 3.872480       0.3572715 3.674258       0.3275164 0.5079556      1.247561  
1 1 1 -30 12 18 f 72.62428 0.8665748 52.75559       1.256204  55.25272       1.848615  50.61317       1.712289  3.176857       1.733150  
1 1 1 -30 12 19 o 31.12525 0.6053126 9.705139       0.3766038 9.620368       0.5402874 9.785251       0.5252280 -0.2662144     1.210625  
1 1 1 -30 12 20 f 48.94007 0.6878022 23.89956       0.6714553 25.35353       0.9946194 22.68204       0.9101549 2.720676       1.375604  
1 1 1 -30 12 21 f 30.21035 0.6131713 9.110829       0.3697790 9.643485       0.5438173 8.652758       0.5043077 1.636034       1.226343  
1 1 1 -30 12 22 o 41.37527 0.6528782 17.15162       0.5402313 16.93020       0.7633848 17.37376       0.7646215 -0.5359001     1.305756  
1 1 1 -30 12 23 o 24.91559 0.6496729 6.083352       0.3201314 7.405935       0.4956929 5.136998       0.4193032 4.545294       1.299346  
1 1 1 -30 12 24 o 59.62794 0.7725942 35.63262       0.9210079 34.90227       1.280909  36.41437       1.325225  -1.262280      1.545188  
1 1 1 -30 12 25 o 28.09593 0.6548052 7.868161       0.3669351 8.519811       0.5437110 7.323132       0.4972457 2.124439       1.309610  
1 1 1 -30 12 26 o 50.59906 0.7190287 25.67111       0.7275518 25.31816       1.031861  26.02007       1.025992  -0.6943359     1.438057  
1 1 1 -30 12 27 o 21.93167 0.7369125 4.655541       0.3174017 6.047095       0.5033672 3.737071       0.4089474 5.254194       1.473825  
1 1 1 -30 12 28 o 38.12898 0.7523613 14.74026       0.5589156 13.82299       0.8823138 15.35504       0.7223272 -2.030025      1.504723  
1 1 1 -30 12 29 o 51.04201 0.7222895 26.12110       0.7373154 25.84119       1.041897  26.40190       1.043547  -0.5490456     1.444579  
1 1 1 -30 12 30 o 22.09200 0.7212113 4.912148       0.3149644 3.997542       0.4393354 5.879297       0.4517791 -4.257320      1.442423  
1 1 1 -30 12 31 o 8.273973 1.455268  0.7195598      0.2411075 0.8315529      0.3418019 0.6086406      0.3401591 1.253411       2.910536  
1 1 1 -30 12 32 o 15.45280 0.9028602 2.381864       0.2761065 2.909499       0.4080668 1.936334       0.3749757 3.143193       1.805720  
1 1 1 -30 12 33 o 38.83560 0.6856159 15.07852       0.5312112 15.70695       0.7848788 14.54733       0.7215967 1.484444       1.371232  
1 1 1 -30 12 34 o 43.82813 0.7025836 19.25162       0.6153824 19.52801       0.8905148 18.99900       0.8513686 0.5980110      1.405167  
1 1 1 -30 12 35 o 39.06320 0.6934667 15.26375       0.5408584 15.93836       0.7936103 14.67866       0.7390767 1.604618       1.386933  
1 1 1 -30 12 36 o 40.38483 0.6997834 16.36242       0.5650898 16.14852       0.8040873 16.57116       0.7943177 -0.5247726     1.399567  
1 1 1 -30 12 37 o 16.19657 0.9269421 2.628627       0.2997622 2.815412       0.4389018 2.465322       0.4103887 1.074875       1.853884  
1 1 1 -30 12 38 o 48.85301 0.7436811 23.95254       0.7265044 23.56680       1.030435  24.33381       1.024456  -0.7859955     1.487362  
1 1 1 -30 12 39 o 14.22119 1.050188  2.038967       0.2977971 2.239436       0.4239782 1.843762       0.4183750 1.389798       2.100376  
1 1 1 -30 12 40 f 5.711285 1.571364  0.1929314      0.2605288 0.8638161E-01  0.3585898 0.3120540      0.3791566 -1.035006      3.142727  
1 1 1 -30 12 41 o 15.54155 1.255398  2.466416       0.3730897 1.603475       0.5107460 3.453695       0.5463040 -5.941714      2.510796  
1 1 1 -30 12 42 f 12.12304 1.480628  1.514357       0.3505344 1.371966       0.4893615 1.664409       0.5023549 -1.385863      2.961255  
1 1 1 -30 12 43 o 19.70436 1.543538  0.000000       0.000000  ?              ?         3.915120       0.6082886 ?              ?         
1 1 1 -30 13 1  o 13.76595 1.921574  1.999348       0.5102817 2.164378       0.7181509 1.831065       0.7251953 1.225791       3.843147  
1 1 1 -30 13 2  o 44.75097 1.090049  20.12932       0.9750070 21.15735       1.397985  19.15566       1.360515  2.229336       2.180098  
1 1 1 -30 13 3  o 33.59184 1.087745  11.32223       0.7291379 12.44981       1.057210  10.29934       1.006939  3.191471       2.175491  
1 1 1 -30 13 4  o 16.15294 1.523510  2.637455       0.4921125 2.697188       0.7021006 2.579769       0.6899624 0.3603334      3.047020  
1 1 1 -30 13 5  o 52.31567 1.111684  27.52128       1.162983  28.21905       1.657682  26.84493       1.632029  1.308575       2.223368  
1 1 1 -30 13 6  f 9.440026 1.805320  0.6260492      0.4603663 -0.4762034     0.6292349 1.895663       0.6753175 -8.011557      3.610640  
1 1 1 -30 13 7  o 24.14145 1.199105  5.866575       0.5788767 5.920023       0.8140868 5.811910       0.8233017 0.2256775      2.398210  
1 1 1 -30 13 8  o 28.06219 1.131935  7.911081       0.6343865 7.337027       0.8827082 8.524323       0.9123414 -2.110220      2.263869  
1 1 1 -30 13 9  o 10.09443 2.050665  1.038178       0.4513452 0.6694499      0.6282971 1.431356       0.6487932 -3.078322      4.101330  
1 1 1 -30 13 10 f 18.98891 1.374816  3.641239       0.5182001 3.086576       0.7226177 4.228454       0.7435204 -3.002316      2.749632  
1 1 1 -30 13 11 o 37.46889 1.069026  14.10147       0.8006144 13.91863       1.110074  14.29968       1.155789  -0.5010223     2.138051  
1 1 1 -30 13 12 o 19.99233 1.311074  4.036786       0.5223224 3.650051       0.7397957 4.421186       0.7375602 -1.929022      2.622149  
1 1 1 -30 13 13 o 50.21456 1.104450  25.29661       1.108007  26.88270       1.606422  23.85733       1.530268  2.999638       2.208901  
1 1 1 -30 13 14 o 25.50177 1.169719  6.532956       0.5952010 6.666371       0.8758543 6.418474       0.8113270 0.4745197      2.339437  
1 1 1 -30 13 15 o 60.48011 1.183947  36.79267       1.431945  37.41899       2.043069  36.18793       2.007549  1.011284       2.367894  
1 1 1 -30 13 16 o 53.33112 0.7040811 28.46773       0.7504293 29.43073       1.087261  27.59162       1.037053  1.718765       1.408162  
1 1 1 -30 13 17 o 75.13889 0.8887931 56.58626       1.334493  58.25828       1.937051  55.07575       1.841118  2.104431       1.777586  
1 1 1 -30 13 18 o 18.34464 0.6280323 3.362113       0.2293546 3.462253       0.3433222 3.281401       0.3082221 0.4894295      1.256065  
1 1 1 -30 13 19 o 41.30448 0.6415335 17.06085       0.5292899 17.70361       0.7726434 16.49250       0.7265400 1.461304       1.283067  
1 1 1 -30 13 20 f 66.86707 0.8256217 44.85370       1.104123  44.93643       1.566131  44.77196       1.556842  0.1217194      1.651243  
1 1 1 -30 13 21 o 43.77880 0.6603425 19.13306       0.5768986 20.29811       0.8512486 18.14344       0.7845432 2.453442       1.320685  
1 1 1 -30 13 22 o 70.60254 0.8587548 49.95982       1.211509  51.52678       1.759503  48.54717       1.670616  2.097008       1.717510  
1 1 1 -30 13 23 o 97.55107 1.103745  95.72010       2.153177  94.87573       3.017363  96.59618       3.073519  -0.8710175     2.207491  
1 1 1 -30 13 24 o 27.32550 0.6513000 7.397684       0.3538793 8.360181       0.5359403 6.653651       0.4712075 3.115181       1.302600  
1 1 1 -30 13 25 o 70.20801 0.8602130 49.45958       1.207642  48.80179       1.687710  50.14976       1.728757  -0.9537582     1.720426  
1 1 1 -30 13 26 o 22.60008 0.7146180 5.139442       0.3216435 4.645314       0.4583167 5.618990       0.4515050 -2.154999      1.429236  
1 1 1 -30 13 27 o 65.07554 0.8243433 42.47758       1.072681  41.74706       1.498965  43.24434       1.535703  -1.145050      1.648687  
1 1 1 -30 13 28 o 50.27731 0.7304208 25.32405       0.7337843 25.83846       1.065063  24.85925       1.012394  0.9668999      1.460842  
1 1 1 -30 13 29 o 51.89388 0.7390242 26.98099       0.7666358 25.91509       1.066716  28.11968       1.102545  -2.119278      1.478048  
1 1 1 -30 13 30 o 38.95863 0.6877322 15.21771       0.5349264 15.19224       0.7795237 15.24038       0.7354028 -0.6754684E-01 1.375464  
1 1 1 -30 13 31 o 49.65305 0.7345409 24.73133       0.7293021 24.17294       1.031479  25.28952       1.031299  -1.124413      1.469082  
1 1 1 -30 13 32 o 23.49186 0.7620695 5.531769       0.3550529 5.574960       0.5390087 5.498663       0.4718983 0.1522160      1.524139  
1 1 1 -30 13 33 o 19.60023 0.8510594 3.797836       0.3297700 4.244694       0.5159338 3.489178       0.4287937 1.912283       1.702119  
1 1 1 -30 13 34 o 55.44287 0.7790979 30.81684       0.8629372 31.56940       1.256059  30.14411       1.187574  1.273895       1.558196  
1 1 1 -30 13 35 o 26.79260 0.7634261 7.285750       0.4042856 6.202120       0.5841455 8.282022       0.5601044 -3.885544      1.526852  
1 1 1 -30 13 36 o 51.62276 0.7641684 26.75449       0.7886921 26.03577       1.118232  27.46592       1.112548  -1.386158      1.528337  
1 1 1 -30 13 37 o 22.73228 0.8529731 5.245337       0.3811912 4.863824       0.5835514 5.529296       0.5034469 -1.478889      1.705946  
1 1 1 -30 13 38 o 41.30410 0.7431106 17.16952       0.6120783 16.25742       0.8841562 18.00891       0.8481830 -2.126434      1.486221  
1 1 1 -30 13 39 o 7.090692 1.834100  0.2741367      0.3571608 0.7862517      0.5694975 -0.5787279E-01 0.4585465 3.488947       3.668201  
1 1 1 -30 13 40 o 29.74896 0.9581355 8.982868       0.5652068 8.010548       0.8226999 9.852027       0.7778321 -3.105797      1.916271  
1 1 1 -30 13 41 f 24.55915 1.025077  6.122275       0.4991764 5.601762       0.7352197 6.567413       0.6799049 -1.979725      2.050153  
1 1 1 -30 13 42 o 39.18879 1.321415  0.000000       0.000000  ?              ?         15.45286       1.035693  ?              ?         
1 1 1 -30 14 1  o 24.29325 1.269207  5.927423       0.6152639 5.414176       0.8439940 6.509519       0.8988208 -2.242088      2.538414  
1 1 1 -30 14 2  o 49.03608 1.118549  24.06301       1.092832  22.75274       1.469722  25.68327       1.634348  -2.955612      2.237097  
1 1 1 -30 14 3  o 22.10929 1.312699  4.934850       0.5784107 4.419314       0.8109791 5.468623       0.8251988 -2.369724      2.625399  
1 1 1 -30 14 4  o 24.80422 1.216146  6.188552       0.6013247 6.912583       0.8684598 5.521759       0.8334250 2.796116       2.432292  
1 1 1 -30 14 5  o 30.20790 1.116447  9.184800       0.6742426 9.317671       0.9447463 9.046875       0.9625491 0.4517155      2.232895  
1 1 1 -30 14 6  o 30.59085 1.129279  9.418473       0.6907742 9.204111       0.9770317 9.632722       0.9767728 -0.7006054     2.258558  
1 1 1 -30 14 7  o 38.07837 1.090335  14.51021       0.8282032 13.31400       1.127265  15.91325       1.220835  -3.395226      2.180670  
1 1 1 -30 14 8  f 16.46923 1.665628  2.817468       0.5254017 2.232800       0.7447007 3.396920       0.7413707 -3.739717      3.331255  
1 1 1 -30 14 9  o 10.42238 1.820319  0.9887248      0.4785931 -0.1387822     0.6756843 2.123930       0.6779871 -8.109962      3.640637  
1 1 1 -30 14 10 o 11.65641 2.032709  1.428392       0.4826005 0.9554703      0.6691131 1.941148       0.6967242 -3.875413      4.065417  
1 1 1 -30 14 11 o 25.76167 1.196273  6.700144       0.6145908 7.177361       0.8611932 6.204845       0.8773576 1.890810       2.392547  
1 1 1 -30 14 12 o 34.31277 1.091258  11.67394       0.7428959 13.92264       1.123612  9.927491       0.9902133 5.796978       2.182515  
1 1 1 -30 14 13 o 25.93908 1.211695  6.659789       0.6193714 5.239406       0.8236632 8.508118       0.9395866 -6.277079      2.423391  
1 1 1 -30 14 14 o 11.31837 1.789963  1.237906       0.4785263 2.568010       0.6944123 0.3509475E-01  0.6603488 9.231605       3.579926  
1 1 1 -30 14 15 o 30.05596 1.110850  9.083572       0.6674043 9.203571       0.9619915 8.972218       0.9267018 0.3781681      2.221700  
1 1 1 -30 14 16 o 57.45063 1.170759  33.21283       1.344871  32.67489       1.876156  33.78139       1.928807  -0.9524002     2.341517  
1 1 1 -30 14 17 o 59.48378 0.9985080 35.95813       1.087628  36.58083       1.305230  34.54344       1.967333  1.824047       1.997016  
1 1 1 -30 14 18 o 50.20082 1.120365  25.26206       1.122751  27.15205       1.647642  23.62367       1.534056  3.492077       2.240730  
1 1 1 -30 14 19 o 28.05805 1.186692  7.927579       0.6657581 8.163183       0.9448031 7.695219       0.9382789 0.8325672      2.373385  
1 1 1 -30 14 20 o 16.49436 1.691510  2.796180       0.5319553 3.619038       0.7789788 2.077136       0.7281840 4.859955       3.383020  
1 1 1 -30 14 21 o 33.89176 0.9269789 11.15406       0.5815735 12.54021       1.071027  10.57444       0.6925728 2.838734       1.853958  
1 1 1 -30 14 22 o 31.55387 0.9263529 9.868089       0.4791477 10.22923       1.045140  9.771987       0.5391445 0.6453609      1.852706  
1 1 1 -30 14 23 o 50.68132 0.7885097 25.29996       0.7731254 27.56371       1.289452  24.02941       0.9660236 3.441883       1.577019  
1 1 1 -30 14 24 o 42.03555 0.6713274 17.70852       0.5642217 17.12103       0.7937982 18.30841       0.8021271 -1.411362      1.342655  
1 1 1 -30 14 25 o 13.82417 0.8867404 1.857014       0.2394792 2.539480       0.3744113 1.384505       0.3115400 4.167520       1.773481  
1 1 1 -30 14 26 o 22.17253 0.7078282 4.989151       0.3091835 4.052297       0.4415118 5.890697       0.4331123 -4.146738      1.415656  
1 1 1 -30 14 27 f 19.90692 0.7778921 3.978592       0.3087487 3.934677       0.4535203 4.016526       0.4215083 -0.2102203     1.555784  
1 1 1 -30 14 28 o 30.26811 0.6830601 9.190804       0.4129264 8.603840       0.5822590 9.784704       0.5856884 -1.950222      1.366120  
1 1 1 -30 14 29 o 53.39129 0.7540269 28.59759       0.8051112 28.52324       1.144665  28.67038       1.132629  -0.1395874     1.508054  
1 1 1 -30 14 30 o 59.50219 0.7959615 35.45850       0.9461817 33.95564       1.301449  37.14345       1.378039  -2.666580      1.591923  
1 1 1 -30 14 31 o 54.54536 0.7700033 29.83441       0.8394970 30.36083       1.212331  29.34943       1.163623  0.9195251      1.540007  
1 1 1 -30 14 32 f 43.29906 0.7179157 18.78361       0.6208254 17.42480       0.8630481 20.24069       0.8937141 -3.246967      1.435831  
1 1 1 -30 14 33 o 29.33089 0.7291169 8.623334       0.4248755 8.705696       0.6401150 8.558473       0.5680491 0.2392445      1.458234  
1 1 1 -30 14 34 o 20.48342 0.9425303 4.167144       0.3661932 4.381663       0.6339011 4.059700       0.4486221 0.7476311      1.885061  
1 1 1 -30 14 35 o 43.73526 0.8964107 19.27347       0.7767406 18.84832       1.174919  19.60354       1.035245  -0.8910904     1.792821  
1 1 1 -30 14 36 o 43.89377 0.9330084 19.38466       0.8186471 18.94076       1.167244  19.81440       1.148468  -0.9991875     1.866017  
1 1 1 -30 14 37 o 23.75771 0.9782545 5.710690       0.4605647 5.431383       0.6900038 5.935119       0.6185176 -1.076689      1.956509  
1 1 1 -30 14 38 o 25.29101 0.9694788 6.353393       0.4858830 7.063258       0.7516126 5.843762       0.6368455 2.383038       1.938958  
1 1 1 -30 14 39 o 38.36665 0.9369785 14.75059       0.7157615 12.90349       0.9814757 16.84891       1.046090  -5.126705      1.873957  
1 1 1 -30 14 40 f 9.316635 1.903978  0.8614032      0.3689388 1.161696       0.6003943 0.6792179      0.4676496 2.278006       3.807957  
1 1 1 -30 14 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 15 1  o 58.07703 1.202295  33.94928       1.395305  33.07299       1.925293  34.91870       2.024999  -1.566410      2.404590  
1 1 1 -30 15 2  o 46.19379 1.154985  21.37685       1.062501  20.36757       1.425787  22.63727       1.593342  -2.420994      2.309969  
1 1 1 -30 15 3  o 62.01621 1.228612  38.74946       1.523518  38.39132       2.127775  39.12622       2.182424  -0.5803299     2.457224  
1 1 1 -30 15 4  o 38.94786 1.138151  15.24533       0.8844133 14.94784       1.204374  15.59350       1.302930  -0.8087921     2.276302  
1 1 1 -30 15 5  o 22.19782 1.349475  4.955063       0.5979379 4.569568       0.8201421 5.392463       0.8736124 -1.840729      2.698950  
1 1 1 -30 15 6  o 17.21552 1.598345  3.008923       0.5489331 2.821783       0.7862917 3.186852       0.7666963 -1.065825      3.196690  
1 1 1 -30 15 7  o 12.87578 2.041616  1.760968       0.5138187 1.554544       0.7290129 1.964736       0.7243087 -1.559894      4.083231  
1 1 1 -30 15 8  o 31.89672 1.130735  10.24278       0.7197068 10.29822       0.9867774 10.17976       1.051987  0.1986923      2.261471  
1 1 1 -30 15 9  o 50.95472 1.135660  26.13727       1.156508  26.31093       1.608348  25.95134       1.664179  0.3640366      2.271320  
1 1 1 -30 15 10 o 20.04720 1.445774  4.128488       0.5653494 5.149487       0.7978449 3.098843       0.8012154 5.115381       2.891548  
1 1 1 -30 15 11 o 49.45515 1.131282  24.56010       1.116960  23.76138       1.525848  25.48225       1.639508  -1.717163      2.262565  
1 1 1 -30 15 12 o 30.88531 1.162824  9.593152       0.7178922 9.278111       0.9957269 9.934175       1.035975  -1.053846      2.325649  
1 1 1 -30 15 13 o 63.35553 1.232460  40.42989       1.560902  40.03754       2.169446  40.85100       2.247521  -0.6250153     2.464919  
1 1 1 -30 15 14 o 39.75316 1.118693  15.80828       0.8868126 17.36270       1.313164  14.50497       1.202425  3.572502       2.237386  
1 1 1 -30 15 15 o 28.83454 1.190393  8.380354       0.6858467 8.611981       0.9585679 8.137406       0.9817135 0.8277817      2.380786  
1 1 1 -30 15 16 f 33.70898 1.139385  11.43056       0.7673863 11.30843       1.059409  11.56538       1.113075  -0.3703461     2.278769  
1 1 1 -30 15 17 o 33.85116 1.131790  11.54213       0.7655699 11.96488       1.075224  11.10745       1.090292  1.269470       2.263579  
1 1 1 -30 15 18 f 42.05182 0.9201926 16.62575       0.6250278 15.90065       0.6943431 19.72315       1.435078  -4.427910      1.840385  
1 1 1 -30 15 19 o 22.72531 0.5804520 5.142347       0.2629848 5.580625       0.3912249 4.781045       0.3552114 1.755527       1.160904  
1 1 1 -30 15 20 o 40.62282 0.6410799 16.49334       0.5201653 15.51356       0.7155333 17.59145       0.7575096 -2.552757      1.282160  
1 1 1 -30 15 21 f 30.20594 0.6073456 9.150877       0.3664968 8.845729       0.5249268 9.441098       0.5119271 -0.9869270     1.214691  
1 1 1 -30 15 22 o 36.99020 0.6358989 13.71211       0.4702491 13.67250       0.6742053 13.74964       0.6562245 -0.1063271     1.271798  
1 1 1 -30 15 23 o 15.16868 0.7937317 2.333545       0.2364892 2.160025       0.3628911 2.461636       0.3117880 -1.001573      1.587463  
1 1 1 -30 15 24 o 29.54318 0.6427039 8.656281       0.3772626 9.538160       0.5751763 7.990420       0.4997909 2.610357       1.285408  
1 1 1 -30 15 25 o 17.88593 0.7563573 3.180945       0.2691653 3.487965       0.4067352 2.941724       0.3590276 1.520073       1.512715  
1 1 1 -30 15 26 o 34.33514 0.7276452 11.58763       0.4899561 10.70809       0.6245565 12.99511       0.7900658 -3.306747      1.455290  
1 1 1 -30 15 27 o 19.07865 1.209475  3.636668       0.3804995 3.611319       0.4294915 3.729151       0.8203619 -0.2187233     2.418950  
1 1 1 -30 15 28 f 39.84927 0.9790813 16.03790       0.6842138 16.11708       0.7964427 15.81483       1.336801  0.4816628      1.958163  
1 1 1 -30 15 29 o 13.26683 1.760556  2.154158       0.3829356 2.483270       0.4455670 1.224104       0.7490239 4.891376       3.521112  
1 1 1 -30 15 30 o 44.96838 1.262666  20.13643       1.120098  22.08937       1.763975  18.81698       1.449920  3.552410       2.525332  
1 1 1 -30 15 31 o 14.31205 2.865301  2.170929       0.7912079 2.170929       0.7912079 ?              ?         ?              ?         
1 1 1 -30 15 32 o 40.69504 1.863458  16.74060       1.516670  16.74060       1.516670  ?              ?         ?              ?         
1 1 1 -30 15 33 o 25.44513 2.027719  6.558022       1.031912  6.558022       1.031912  ?              ?         ?              ?         
1 1 1 -30 15 34 o 9.502945 3.233519  0.8723238      0.7356420 0.8723238      0.7356420 ?              ?         ?              ?         
1 1 1 -30 15 35 o 31.96221 1.901966  10.33885       1.215821  10.33885       1.215821  ?              ?         ?              ?         
1 1 1 -30 15 36 f 15.55995 1.902048  2.451736       0.5919152 2.451736       0.5919152 ?              ?         ?              ?         
1 1 1 -30 15 37 o 36.84523 1.327530  13.66087       0.9782629 13.66087       0.9782629 ?              ?         ?              ?         
1 1 1 -30 15 38 o 21.67406 1.209976  4.785776       0.5147706 4.980189       0.6748493 4.515248       0.7960672 1.108074       2.419953  
1 1 1 -30 15 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 16 1  o 23.69251 1.423793  5.664799       0.6668884 4.573322       0.9154428 6.899045       0.9734751 -4.891813      2.847586  
1 1 1 -30 16 2  o 29.13089 1.267128  8.545720       0.7370799 8.278743       1.008779  8.851501       1.079598  -0.9652424     2.534257  
1 1 1 -30 16 3  o 39.64892 1.141634  15.80614       0.9033291 15.42858       1.231578  16.24577       1.328975  -1.008636      2.283267  
1 1 1 -30 16 4  o 31.31437 1.188512  9.892152       0.7428902 10.63360       1.052996  9.157397       1.048231  2.355974       2.377024  
1 1 1 -30 16 5  o 39.66733 1.127688  15.86742       0.8932402 16.60615       1.250409  15.09759       1.276458  1.907120       2.255377  
1 1 1 -30 16 6  o 12.36966 2.072254  1.619577       0.5086358 1.990498       0.7345360 1.277874       0.7050112 2.729427       4.144508  
1 1 1 -30 16 7  o 15.80063 1.783423  2.544582       0.5457780 2.090357       0.7339621 3.106404       0.8162764 -3.399290      3.566846  
1 1 1 -30 16 8  o 6.642501 2.009983  -0.2774501     0.5072165 0.4243196      0.7559520 -0.8520721     0.6840504 3.026322       4.019967  
1 1 1 -30 16 9  o 14.92186 1.836067  2.292641       0.5338426 2.372387       0.7983747 2.228153       0.7179484 0.2137718      3.672133  
1 1 1 -30 16 10 o 32.44095 1.145247  10.59146       0.7421973 10.52029       1.023714  10.67033       1.077610  -0.2200241     2.290494  
1 1 1 -30 16 11 f 22.89685 1.362705  5.263044       0.6180505 4.321699       0.8423987 6.360501       0.9095722 -4.435673      2.725411  
1 1 1 -30 16 12 o 15.34238 1.898297  2.469310       0.5591413 1.853493       0.7873893 3.095738       0.7941445 -4.274571      3.796595  
1 1 1 -30 16 13 o 54.75260 1.183821  30.19469       1.296274  30.54650       1.832693  29.84248       1.833725  0.6431313      2.367643  
1 1 1 -30 16 14 o 24.74821 1.330392  6.173698       0.6577142 5.763799       0.9153729 6.611174       0.9456632 -1.704697      2.660784  
1 1 1 -30 16 15 o 30.04613 1.236789  9.092030       0.7428941 9.323523       1.070015  8.876598       1.032226  0.7352371      2.473577  
1 1 1 -30 16 16 o 13.93021 1.938037  2.038736       0.5271773 1.700689       0.7612436 2.350260       0.7307723 -2.574992      3.876074  
1 1 1 -30 16 17 o 58.47232 1.215889  34.45202       1.421788  34.38618       1.996422  34.51978       2.025311  -0.1077843     2.431779  
1 1 1 -30 16 18 o 19.56847 1.570422  3.754387       0.5961986 5.326097       0.9300842 2.658107       0.7767779 6.773203       3.140844  
1 1 1 -30 16 19 o 63.30653 1.258158  40.33387       1.590943  38.89965       2.183315  41.95754       2.323046  -2.382137      2.516316  
1 1 1 -30 16 20 o 20.21390 0.5893790 4.084816       0.2369256 4.174530       0.3561552 4.013598       0.3173237 0.3937168      1.178758  
1 1 1 -30 16 21 o 36.21391 0.6252198 13.13283       0.4523129 13.33553       0.6576919 12.95092       0.6230474 0.5268364      1.250440  
1 1 1 -30 16 22 f 39.56185 0.9801762 15.35783       0.7207240 16.75213       1.308944  14.75119       0.8633913 2.443962       1.960352  
1 1 1 -30 16 23 o 60.00508 0.7855167 36.10065       0.9421403 36.97215       1.361190  35.29921       1.305339  1.385281       1.571033  
1 1 1 -30 16 24 o 7.676680 1.339235  0.6326268      0.2024414 0.5256177      0.3245420 0.7007830      0.2590078 -1.043922      2.678470  
1 1 1 -30 16 25 o 11.65704 0.9953889 1.335482       0.2290266 1.565777       0.3613559 1.180861       0.2960918 1.637934       1.990778  
1 1 1 -30 16 26 o 22.80967 0.7487457 5.119405       0.3311900 5.620728       0.5498150 4.833913       0.4149107 1.703993       1.497491  
1 1 1 -30 16 27 o 30.64573 0.7868584 9.441627       0.4813910 9.120893       0.6946365 9.738004       0.6677395 -1.011391      1.573717  
1 1 1 -30 16 28 o 31.24010 0.7931249 9.736477       0.4926278 10.34440       0.7462074 9.266848       0.6558651 1.708651       1.586250  
1 1 1 -30 16 29 o 13.43884 1.172270  1.834400       0.3084906 1.755579       0.4827229 1.888812       0.4010777 -0.5168371     2.344541  
1 1 1 -30 16 30 o 47.05331 0.9183850 22.24078       0.8627876 22.51744       1.260851  21.99715       1.183181  0.5371628      1.836770  
1 1 1 -30 16 31 o 36.02991 0.7800689 12.87569       0.5554528 12.08730       0.7229792 14.01141       0.8677456 -2.644932      1.560138  
1 1 1 -30 16 32 o 7.949173 1.598154  0.6117087      0.2626711 0.8842615      0.4324245 0.4523366      0.3306671 2.399204       3.196308  
1 1 1 -30 16 33 o 16.33996 1.137296  2.799962       0.3543610 2.265935       0.5605566 3.155425       0.4573353 -2.748669      2.274591  
1 1 1 -30 16 34 o 11.03691 1.576467  1.295707       0.3305894 1.134797       0.5365713 1.394161       0.4197127 -1.410417      3.152934  
1 1 1 -30 16 35 o 7.703421 1.768833  0.5228807      0.3122045 0.8618793      0.5100216 0.3197286      0.3948210 2.750114       3.537666  
1 1 1 -30 16 36 o 14.42238 1.272587  2.177735       0.3497170 1.820974       0.5607204 2.404864       0.4473974 -2.058537      2.545173  
1 1 1 -30 16 37 o 32.46918 0.8946239 10.42373       0.5735930 11.70088       0.9020588 9.556828       0.7431931 3.266489       1.789248  
1 1 1 -30 16 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 17 1  o 33.51670 1.205174  11.33515       0.8078099 11.52987       1.147360  11.14375       1.137535  0.5733948      2.410347  
1 1 1 -30 17 2  o 12.24594 2.083546  1.507467       0.5640219 2.575911       0.8228841 0.5607323      0.7745988 7.284886       4.167092  
1 1 1 -30 17 3  o 39.02889 1.153484  15.34666       0.8995461 16.27462       1.285300  14.45573       1.259396  2.323971       2.306968  
1 1 1 -30 17 4  o 32.11318 1.200193  10.32035       0.7679407 9.337746       1.036724  11.51500       1.143119  -3.364031      2.400386  
1 1 1 -30 17 5  o 8.962135 2.202949  0.6189390      0.5403882 -0.9872185E-01 0.7875932 1.257323       0.7428195 -3.963332      4.405899  
1 1 1 -30 17 6  o 18.53349 1.661547  3.461265       0.6046011 2.631497       0.8174591 4.463307       0.8983197 -4.915455      3.323093  
1 1 1 -30 17 7  o 9.235786 2.272181  0.7852126      0.5166563 0.6463370      0.7154688 0.9365447      0.7468668 -1.066817      4.544362  
1 1 1 -30 17 8  o 10.69767 2.321956  1.184655       0.5469692 1.035638       0.7880321 1.323187       0.7598025 -1.009542      4.643911  
1 1 1 -30 17 9  o 15.16470 1.931079  2.403264       0.5655127 1.826317       0.7872821 3.018280       0.8128415 -4.149108      3.862158  
1 1 1 -30 17 10 o 27.28355 1.298110  7.474987       0.7064645 6.940818       0.9585021 8.110299       1.045317  -2.120886      2.596220  
1 1 1 -30 17 11 o 31.74805 1.206006  10.15786       0.7652324 10.07318       1.060637  10.24981       1.105138  -0.2675724     2.412012  
1 1 1 -30 17 12 o 16.02575 1.896058  2.690751       0.5843150 3.231305       0.8243131 2.144832       0.8283944 3.635559       3.792117  
1 1 1 -30 17 13 o 32.83981 1.223788  10.85671       0.8017061 11.99194       1.157923  9.811444       1.111094  3.308613       2.447576  
1 1 1 -30 17 14 o 27.10344 1.285201  7.388197       0.6954600 7.902863       1.019482  6.940231       0.9511296 1.758501       2.570402  
1 1 1 -30 17 15 o 31.74881 1.208903  10.10012       0.7650226 9.086196       1.039461  11.29839       1.130013  -3.462255      2.417805  
1 1 1 -30 17 16 o 21.63390 1.435409  4.713602       0.6185766 4.156563       0.8473057 5.349303       0.9051559 -2.740213      2.870817  
1 1 1 -30 17 17 o 11.32585 2.317832  1.351175       0.5548363 1.370165       0.7959868 1.333230       0.7737978 0.1510620      4.635665  
1 1 1 -30 17 18 o 22.51204 1.454890  5.127465       0.6532940 4.641200       0.9122407 5.639403       0.9360123 -2.210167      2.909780  
1 1 1 -30 17 19 o 12.48883 1.995401  1.665164       0.5380737 0.5710074      0.7693198 2.712974       0.7528496 -7.720755      3.990801  
1 1 1 -30 17 20 o 15.41430 1.962743  2.487437       0.5859865 2.951340       0.8303086 2.027090       0.8271208 3.244757       3.925485  
1 1 1 -30 17 21 o 19.72799 0.6155106 3.927087       0.2411716 3.565440       0.3510785 4.250237       0.3318679 -1.737978      1.231021  
1 1 1 -30 17 22 o 34.51004 0.6312695 11.94358       0.4354061 11.72605       0.6238402 12.15019       0.6079805 -0.6165848     1.262539  
1 1 1 -30 17 23 o 17.37616 0.8857232 2.968945       0.3044956 2.522972       0.3989520 3.591254       0.4712704 -3.060318      1.771446  
1 1 1 -30 17 24 o 18.90828 0.7792070 3.615767       0.2919329 3.346975       0.4334921 3.838842       0.3949108 -1.307257      1.558414  
1 1 1 -30 17 25 o 35.97495 0.7835649 13.00174       0.5632359 12.37770       0.7979057 13.62152       0.7951733 -1.729202      1.567130  
1 1 1 -30 17 26 o 49.39758 0.9121806 24.27210       0.8962840 21.99877       1.194885  27.19674       1.355288  -5.228844      1.824361  
1 1 1 -30 17 27 o 9.007257 1.352347  0.8517691      0.2339983 0.8399038      0.3594948 0.8604919      0.3082349 -0.1510248     2.704694  
1 1 1 -30 17 28 o 38.80662 0.6853445 15.11626       0.5314674 14.52895       0.7559835 15.69016       0.7473084 -1.497459      1.370689  
1 1 1 -30 17 29 o 39.54223 0.6938888 15.68749       0.5483223 14.89596       0.7721365 16.49273       0.7787958 -2.018017      1.387778  
1 1 1 -30 17 30 o 19.57365 0.9027512 3.908977       0.3398201 3.632979       0.5527470 4.076676       0.4308635 -1.158588      1.805502  
1 1 1 -30 17 31 o 10.93419 1.439402  1.153876       0.3010091 1.677098       0.4992232 0.8549976      0.3773107 3.868111       2.878804  
1 1 1 -30 17 32 o 23.52329 0.8919531 5.486058       0.4157687 6.141768       0.6434751 5.016115       0.5447509 2.370577       1.783906  
1 1 1 -30 17 33 o 16.90285 1.058588  2.755947       0.3496746 3.524458       0.5731890 2.300399       0.4413065 3.585742       2.117175  
1 1 1 -30 17 34 o 22.29121 0.9147404 5.018727       0.4032798 4.847450       0.6120831 5.150114       0.5360898 -0.6957912     1.829481  
1 1 1 -30 17 35 o 23.07537 0.9399349 5.394874       0.4277697 5.113191       0.6521978 5.607537       0.5666897 -1.090916      1.879870  
1 1 1 -30 17 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 18 1  o 17.61137 1.749393  3.159526       0.6159742 3.097129       0.8575223 3.226043       0.8853839 -0.3551693     3.498787  
1 1 1 -30 18 2  o 23.12264 1.504441  5.424325       0.6896019 6.402104       0.9953215 4.521645       0.9563353 4.053452       3.008882  
1 1 1 -30 18 3  o 18.46909 1.717568  3.429508       0.6293508 2.898458       0.8422612 4.100830       0.9469882 -3.215473      3.435136  
1 1 1 -30 18 4  o 22.72831 1.538497  5.276106       0.6910470 6.236219       0.9817203 4.333138       0.9729154 4.183607       3.076994  
1 1 1 -30 18 5  o 23.43497 1.433891  5.478500       0.6669014 4.817910       0.8815299 6.362549       1.019786  -3.251247      2.867782  
1 1 1 -30 18 6  o 29.69537 1.283420  8.912100       0.7609847 8.951021       1.048030  8.868695       1.106759  0.1554241      2.566840  
1 1 1 -30 18 7  o 20.38956 1.580677  4.222755       0.6444995 4.257788       0.9065487 4.186952       0.9164519 0.1771679      3.161354  
1 1 1 -30 18 8  o 40.61943 1.191925  16.64531       0.9681869 16.73194       1.360722  16.55648       1.377886  0.2204514      2.383851  
1 1 1 -30 18 9  o 13.94492 2.203862  2.086830       0.6008968 1.775835       0.8575733 2.386795       0.8422274 -2.149553      4.407723  
1 1 1 -30 18 10 f 12.26774 2.319084  1.590557       0.5904578 1.168848       0.8179445 2.049447       0.8532403 -3.157887      4.638169  
1 1 1 -30 18 11 o 8.274420 2.302817  0.3930891      0.5598451 0.6349705      0.8427423 0.2020248      0.7490027 1.524720       4.605633  
1 1 1 -30 18 12 o 14.04138 2.180948  2.099021       0.5983071 1.662091       0.8294834 2.572882       0.8638291 -3.149553      4.361896  
1 1 1 -30 18 13 f 31.79091 1.243884  10.16372       0.7882153 11.41324       1.149346  9.054254       1.083018  3.692780       2.487767  
1 1 1 -30 18 14 o 15.80399 2.039116  2.607410       0.6214629 1.857436       0.8513693 3.462815       0.9092450 -5.275350      4.078232  
1 1 1 -30 18 15 o 23.67699 1.475962  5.696384       0.6948708 4.974658       0.9787264 6.429939       0.9867138 -3.070700      2.951923  
1 1 1 -30 18 16 o 36.74233 1.204623  13.59389       0.8842577 13.08604       1.216439  14.16295       1.287657  -1.447037      2.409245  
1 1 1 -30 18 17 o 21.53834 1.553882  4.702829       0.6683599 4.355437       0.9299696 5.073955       0.9612118 -1.657440      3.107764  
1 1 1 -30 18 18 o 24.39983 1.405882  6.034248       0.6844781 5.550849       0.9657962 6.522080       0.9702154 -1.988873      2.811764  
1 1 1 -30 18 19 o 28.37263 1.324991  8.141456       0.7509954 8.644342       1.067599  7.648857       1.056622  1.751068       2.649982  
1 1 1 -30 18 20 o 28.75251 1.928838  0.000000       0.000000  ?              ?         8.364351       1.109179  ?              ?         
1 1 1 -30 18 21 o 11.13314 1.046429  1.243746       0.2330008 1.243746       0.2330008 ?              ?         ?              ?         
1 1 1 -30 18 22 o 35.89572 0.7321710 12.92700       0.5252256 12.95957       0.7583463 12.89698       0.7281368 0.8230209E-01  1.464342  
1 1 1 -30 18 23 o 43.09557 0.8163216 18.63953       0.7033147 17.91623       0.9832785 19.39724       1.006399  -1.714127      1.632643  
1 1 1 -30 18 24 f 67.66959 0.9904729 46.14812       1.302063  46.39261       1.657834  45.75451       2.103535  0.5685425      1.980946  
1 1 1 -30 18 25 o 52.75287 0.7464492 27.91980       0.7874051 27.19708       1.104384  28.66705       1.122966  -1.390137      1.492898  
1 1 1 -30 18 26 o 46.75862 0.7520644 21.88785       0.6954505 22.31271       1.070923  21.57803       0.9145218 0.7587433      1.504129  
1 1 1 -30 18 27 o 59.02279 0.9684875 35.15587       1.138587  33.70263       1.666353  36.42850       1.559375  -2.333321      1.936975  
1 1 1 -30 18 28 o 15.90799 0.9374446 2.454725       0.2926993 3.076561       0.4716596 2.065262       0.3732703 3.156398       1.874889  
1 1 1 -30 18 29 o 50.72363 0.9376594 25.89070       0.9509771 25.15412       1.342569  26.63238       1.347212  -1.456081      1.875319  
1 1 1 -30 18 30 o 26.04013 0.8179265 6.767684       0.4232059 7.197687       0.6432737 6.439539       0.5619439 1.438934       1.635853  
1 1 1 -30 18 31 o 36.44322 0.8475201 13.30266       0.6146881 13.78434       0.9226665 12.91826       0.8242376 1.167667       1.695040  
1 1 1 -30 18 32 f 47.40592 0.9253018 22.49676       0.8734004 23.72030       1.310542  21.51911       1.171474  2.290215       1.850604  
1 1 1 -30 18 33 o 31.61608 0.8575989 10.08597       0.5386407 9.681341       0.8003256 10.42101       0.7282687 -1.185215      1.715198  
1 1 1 -30 19 1  o 31.67020 1.305321  10.14400       0.8256921 10.86593       1.180131  9.451691       1.155663  2.225061       2.610642  
1 1 1 -30 19 2  o 48.78863 1.222384  23.97380       1.190750  22.92760       1.627061  25.18036       1.747312  -2.274006      2.444769  
1 1 1 -30 19 3  o 22.89456 1.551413  5.329285       0.7067663 6.031374       1.011866  4.660450       0.9876121 2.985306       3.102826  
1 1 1 -30 19 4  o 34.11628 1.267087  11.76202       0.8619872 11.78306       1.175307  11.73752       1.268036  0.9362793E-01  2.534175  
1 1 1 -30 19 5  o 9.546310 2.425094  0.7814643      0.5932402 0.5499455      0.7970028 1.069093       0.8883475 -1.825604      4.850189  
1 1 1 -30 19 6  o 44.68480 1.226619  20.13184       1.094684  19.69453       1.502346  20.62682       1.598342  -1.016769      2.453239  
1 1 1 -30 19 7  o 27.24018 1.399600  7.531864       0.7601975 8.097577       1.066389  6.947320       1.083991  2.116791       2.799200  
1 1 1 -30 19 8  o 23.95660 1.503301  5.802219       0.7153708 4.922168       0.9831519 6.792411       1.042861  -3.883636      3.006602  
1 1 1 -30 19 9  o 24.67468 1.478889  6.167943       0.7296078 5.990947       1.018119  6.354800       1.046093  -0.7281685     2.957779  
1 1 1 -30 19 10 o 14.63445 2.091630  2.184472       0.6128393 1.013301       0.8129802 3.725863       0.9326664 -8.983262      4.183259  
1 1 1 -30 19 11 o 27.87416 1.325036  7.858993       0.7379895 7.968071       1.026049  7.742085       1.062241  0.4159279      2.650072  
1 1 1 -30 19 12 o 28.75224 1.310732  8.333017       0.7521647 7.618438       1.037067  9.126091       1.092543  -2.605797      2.621464  
1 1 1 -30 19 13 o 19.13420 1.731494  3.728287       0.6599852 3.302355       0.9189577 4.182008       0.9484615 -2.287426      3.462988  
1 1 1 -30 19 14 o 39.45463 1.221596  15.70396       0.9632211 16.57641       1.377580  14.86940       1.347325  2.155121       2.443193  
1 1 1 -30 19 15 o 43.39557 1.211104  18.99123       1.050638  18.20259       1.466684  19.82244       1.505738  -1.855953      2.422208  
1 1 1 -30 19 16 o 9.772888 2.407494  0.8937275      0.5794099 1.001293       0.8294194 0.7912027      0.8097532 0.7224874      4.814987  
1 1 1 -30 19 17 o 45.99910 1.715398  0.000000       0.000000  ?              ?         21.35397       1.578136  ?              ?         
1 1 1 -30 19 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 19 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 19 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 19 21 o 17.14838 2.669064  3.008369       0.9154022 3.008369       0.9154022 ?              ?         ?              ?         
1 1 1 -30 19 22 o 21.51876 0.5959495 4.658360       0.2535683 4.522748       0.3858876 4.761411       0.3363867 -0.5613403     1.191899  
1 1 1 -30 19 23 o 19.82427 0.6612037 3.908650       0.2599672 4.185809       0.3991550 3.704477       0.3425916 1.205206       1.322407  
1 1 1 -30 19 24 o 20.82479 0.8608145 4.265262       0.3286987 4.591975       0.6100026 4.131584       0.3901918 1.060593       1.721629  
1 1 1 -30 19 25 o 15.65415 0.8498310 2.469460       0.2623986 2.421875       0.4040465 2.504168       0.3450687 -0.2751522     1.699662  
1 1 1 -30 19 26 o 12.80385 0.9746037 1.609141       0.2437325 1.839070       0.3989899 1.472258       0.3078488 1.410025       1.949207  
1 1 1 -30 19 27 o 18.13618 0.8618357 3.393545       0.3039639 2.812434       0.4611896 3.839848       0.4041713 -2.844580      1.723671  
1 1 1 -30 19 28 o 15.09585 0.9626925 2.196568       0.2836035 2.762851       0.4680710 1.868089       0.3564910 2.937096       1.925385  
1 1 1 -30 19 29 o 15.65472 0.9697656 2.376059       0.2972780 2.936948       0.4845397 2.037489       0.3764567 2.847147       1.939531  
1 1 1 -30 19 30 o 29.90771 0.8069131 8.995337       0.4806958 8.874944       0.7100162 9.097219       0.6531513 -0.3830185     1.613826  
1 1 1 -30 19 31 o 35.96662 1.155999  0.000000       0.000000  ?              ?         12.99895       0.8315478 ?              ?         
1 1 1 -30 20 1  o 31.83667 1.345170  10.26020       0.8557768 10.84925       1.221340  9.692071       1.199459  1.810167       2.690341  
1 1 1 -30 20 2  o 32.97024 1.319762  10.97395       0.8690953 10.34240       1.194392  11.68461       1.266991  -2.011702      2.639525  
1 1 1 -30 20 3  o 31.00602 1.353304  9.723859       0.8379588 9.477391       1.148567  10.00434       1.225252  -0.8236370     2.706609  
1 1 1 -30 20 4  o 35.51379 1.301805  12.76812       0.9239383 12.85300       1.284414  12.67710       1.330074  0.2626534      2.603609  
1 1 1 -30 20 5  o 70.93396 1.387823  51.00033       1.968738  51.84639       2.794042  50.16607       2.774493  1.177628       2.775645  
1 1 1 -30 20 6  o 47.12913 1.257089  22.41114       1.182469  21.78440       1.612561  23.14013       1.739132  -1.398975      2.514179  
1 1 1 -30 20 7  f 26.83554 1.489808  7.204251       0.7792189 5.200829       1.039535  9.773557       1.177229  -8.470871      2.979617  
1 1 1 -30 20 8  o 60.15530 1.306551  36.58314       1.571096  35.88684       2.179739  37.33599       2.266533  -1.177174      2.613102  
1 1 1 -30 20 9  o 60.32729 1.302290  36.71469       1.568428  35.29072       2.141115  38.36359       2.304018  -2.496147      2.604581  
1 1 1 -30 20 10 o 22.91171 1.569940  5.303643       0.7144508 6.248396       1.052052  4.495024       0.9733078 3.797157       3.139881  
1 1 1 -30 20 11 o 58.45362 1.281333  34.43932       1.494946  32.98124       2.036757  36.14227       2.201145  -2.654064      2.562666  
1 1 1 -30 20 12 o 10.30108 2.400195  0.9980497      0.5998425 1.533157       0.8661657 0.5049102      0.8315063 3.377630       4.800390  
1 1 1 -30 20 13 o 9.765800 2.426014  0.8589001      0.5905203 1.146884       0.8790678 0.6220763      0.7971698 1.840009       4.852028  
1 1 1 -30 20 14 o 19.32202 1.828420  3.819428       0.7006817 4.477365       1.009252  3.207228       0.9735401 3.271456       3.656839  
1 1 1 -30 20 15 o 31.49705 2.031093  0.000000       0.000000  ?              ?         10.05789       1.279469  ?              ?         
1 1 1 -30 20 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 20 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -30 21 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 0  1  o 6.088776 1.895278  0.5297925      0.2599649 0.7226018      0.3631763 0.3271908      0.3722847 -0.000000      0.000000  
1 1 1 -29 0  2  o 30.92930 0.8112872 9.609618       0.5002021 9.323943       0.6986467 9.910061       0.7164753 -0.000000      0.000000  
1 1 1 -29 0  3  o 76.22101 1.245218  58.31625       1.895951  58.46062       2.690577  58.17385       2.672077  -0.000000      0.000000  
1 1 1 -29 0  4  o 58.08085 1.036872  33.78198       1.201525  32.30853       1.655023  35.42403       1.747142  -0.000000      0.000000  
1 1 1 -29 0  5  o 126.1161 1.928661  160.0573       4.859335  158.9486       6.826149  161.1963       6.919067  -0.000000      0.000000  
1 1 1 -29 0  6  o 68.69925 1.150888  47.33683       1.578903  46.50772       2.201744  48.21458       2.265431  -0.000000      0.000000  
1 1 1 -29 0  7  o 33.08794 0.8247314 10.99607       0.5442024 11.12372       0.7781247 10.87385       0.7613852 -0.000000      0.000000  
1 1 1 -29 0  8  o 52.51699 0.9693401 27.66818       1.016541  27.78881       1.446651  27.55053       1.428729  -0.000000      0.000000  
1 1 1 -29 0  9  o 93.15169 1.473312  87.13665       2.741695  87.42563       3.894810  86.85280       3.860107  -0.000000      0.000000  
1 1 1 -29 0  10 o 19.19690 0.9346554 3.762783       0.3526624 4.224881       0.4954855 3.288342       0.5020595 -0.000000      0.000000  
1 1 1 -29 0  11 o 27.51449 0.8334089 7.620512       0.4566760 7.745201       0.6422126 7.492966       0.6495242 -0.000000      0.000000  
1 1 1 -29 0  12 o 69.75171 1.172795  48.81840       1.634014  48.79808       2.316447  48.83852       2.305284  -0.000000      0.000000  
1 1 1 -29 0  13 f 6.371093 1.954629  0.5935742      0.2669908 0.6954682      0.3484532 0.4486982      0.4154972 -0.000000      0.000000  
1 1 1 -29 0  14 o 28.61186 0.8440744 8.217673       0.4805371 7.890963       0.6588615 8.588978       0.7023892 -0.000000      0.000000  
1 1 1 -29 0  15 o 13.07725 1.217857  1.790329       0.3078274 1.714536       0.4094760 1.888830       0.4668030 -0.000000      0.000000  
1 1 1 -29 0  16 o 17.19756 1.040209  3.033826       0.3500217 3.094841       0.4702950 2.958061       0.5240710 -0.000000      0.000000  
1 1 1 -29 0  17 o 4.700640 1.912700  0.2811635      0.2889276 0.3719680      0.3754157 0.1492354      0.4525089 -0.000000      0.000000  
1 1 1 -29 0  18 o 26.68054 0.8896567 7.184537       0.4716204 7.590221       0.6626745 6.768156       0.6713541 -0.000000      0.000000  
1 1 1 -29 0  19 o 12.93279 1.310322  1.732453       0.3248110 1.734109       0.4338974 1.730343       0.4898861 -0.000000      0.000000  
1 1 1 -29 0  20 o 13.86168 1.264876  1.932778       0.3315506 1.546892       0.4264807 2.522256       0.5271129 -0.000000      0.000000  
1 1 1 -29 0  21 o 24.69829 0.9222724 6.144997       0.4507101 6.029392       0.6058869 6.288228       0.6744050 -0.000000      0.000000  
1 1 1 -29 0  22 o 22.11438 0.9863725 4.913086       0.4307908 4.445748       0.5789168 5.492965       0.6448655 -0.000000      0.000000  
1 1 1 -29 0  23 o 20.08748 1.017003  4.086311       0.4027838 3.929082       0.5420141 4.280222       0.6019305 -0.000000      0.000000  
1 1 1 -29 0  24 o 27.16114 0.9140207 7.442791       0.4934638 7.861831       0.6974981 7.022872       0.6982288 -0.000000      0.000000  
1 1 1 -29 0  25 o 44.97907 0.9521670 20.31067       0.8547900 20.67467       1.215218  19.95419       1.202592  -0.000000      0.000000  
1 1 1 -29 0  26 o 47.52074 0.9721923 22.67240       0.9222195 22.78387       1.298885  22.55907       1.309612  -0.000000      0.000000  
1 1 1 -29 0  27 o 92.07060 1.479454  85.19082       2.721107  84.91249       3.834384  85.47320       3.862220  -0.000000      0.000000  
1 1 1 -29 0  28 o 15.25913 1.376354  2.452982       0.4005505 2.706026       0.5463864 2.158998       0.5889311 -0.000000      0.000000  
1 1 1 -29 0  29 o 78.68436 1.857684  62.19483       2.919794  62.19483       2.919794  62.19483       2.919794  -0.000000      0.000000  
1 1 1 -29 0  30 o 29.82432 1.343021  8.962742       0.7976038 8.962742       0.7976038 8.962742       0.7976038 -0.000000      0.000000  
1 1 1 -29 0  31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 0  32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 0  33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 0  34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 0  35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 0  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 0  37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 0  38 o 24.62908 2.371375  6.269455       1.148131  6.269455       1.148131  6.269455       1.148131  -0.000000      0.000000  
1 1 1 -29 0  39 f 5.366207 3.219803  0.3194383      0.6059063 0.3194383      0.6059063 0.3194383      0.6059063 -0.000000      0.000000  
1 1 1 -29 0  40 f 82.18419 1.961818  67.97969       3.220528  67.97969       3.220528  67.97969       3.220528  -0.000000      0.000000  
1 1 1 -29 0  41 o 5.121493 3.109028  0.2674445      0.5792794 0.2674445      0.5792794 0.2674445      0.5792794 -0.000000      0.000000  
1 1 1 -29 0  42 o 39.15941 1.434572  15.43609       1.120250  15.43609       1.120250  15.43609       1.120250  -0.000000      0.000000  
1 1 1 -29 0  43 o 6.631741 3.552407  0.6481528      0.6380692 0.6481528      0.6380692 0.6481528      0.6380692 -0.000000      0.000000  
1 1 1 -29 0  44 o 6.556750 2.238743  0.4596567      0.4749019 -0.6273641     0.7598533 1.156434       0.6083560 -0.000000      0.000000  
1 1 1 -29 0  45 o 38.06297 1.239929  14.41010       0.8889215 15.36007       1.549884  13.94443       1.085140  -0.000000      0.000000  
1 1 1 -29 0  46 o 52.90796 1.310137  28.68534       1.343917  26.18873       2.113170  30.38091       1.741475  -0.000000      0.000000  
1 1 1 -29 0  47 o 4.765793 2.162535  -0.4129162E-01 0.4703155 0.3665624      0.6800562 -0.4151978     0.6511390 -0.000000      0.000000  
1 1 1 -29 0  48 o 55.94685 1.379610  31.47841       1.463342  32.02280       2.499832  31.19463       1.804897  -0.000000      0.000000  
1 1 1 -29 0  49 o 21.75433 1.920678  4.871891       0.8232878 4.871891       0.8232878 4.871891       0.8232878 -0.000000      0.000000  
1 1 1 -29 0  50 o 4.175231 2.852058  -0.3359505     0.7056748 -0.3359505     0.7056748 -0.3359505     0.7056748 -0.000000      0.000000  
1 1 1 -29 0  51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 1  1  o 46.59128 0.6412093 21.64152       0.5960183 20.45320       0.8088496 23.05334       0.8816411 -2.785507      1.282419  
1 1 1 -29 1  2  o 29.37867 0.5705566 8.635567       0.3351715 8.859610       0.4795928 8.421670       0.4686064 0.7446880      1.141113  
1 1 1 -29 1  3  o 47.76305 0.6465560 22.81996       0.6172915 22.24468       0.8558170 23.44382       0.8912228 -1.252995      1.293112  
1 1 1 -29 1  4  f 40.06930 0.6042193 15.99369       0.4829896 17.24921       0.7142722 14.93598       0.6555948 2.883057       1.208439  
1 1 1 -29 1  5  o 57.65816 0.7193164 33.29115       0.8294885 33.27002       1.172121  33.31236       1.174029  -0.3658295E-01 1.438633  
1 1 1 -29 1  6  o 8.135890 1.148483  0.7008730      0.1839255 0.3475741      0.2579925 1.066013       0.2622803 -4.355776      2.296966  
1 1 1 -29 1  7  o 72.76897 0.8476743 53.05180       1.233686  53.11069       1.746232  52.99312       1.743164  0.8055115E-01  1.695349  
1 1 1 -29 1  8  o 69.09548 0.8175237 47.82101       1.129709  48.11620       1.605381  47.53145       1.590029  0.4220123      1.635047  
1 1 1 -29 1  9  o 29.56384 0.5851488 8.628151       0.3435686 10.07413       0.5209301 7.514969       0.4570682 4.324862       1.170298  
1 1 1 -29 1  10 o 112.4043 1.225679  126.7456       2.754099  129.2029       3.969948  124.4657       3.823924  2.091347       2.451358  
1 1 1 -29 1  11 o 51.11275 0.6778117 26.14464       0.6926976 26.57268       0.9941929 25.74081       0.9656744 0.8120537      1.355623  
1 1 1 -29 1  12 o 65.90259 0.7928066 43.49719       1.044916  43.26053       1.469637  43.73914       1.485968  -0.3619843     1.585613  
1 1 1 -29 1  13 o 17.34270 0.6929939 3.010497       0.2403324 2.943163       0.3369798 3.080201       0.3428590 -0.3947258     1.385988  
1 1 1 -29 1  14 o 45.48790 0.6448206 20.69248       0.5862400 20.17590       0.8112077 21.25720       0.8481635 -1.186451      1.289641  
1 1 1 -29 1  15 o 16.55518 0.7318015 2.762591       0.2388305 3.345101       0.3412037 2.203037       0.3344134 3.448829       1.463603  
1 1 1 -29 1  16 o 42.60350 0.6314346 18.16801       0.5380060 18.39078       0.7636976 17.94853       0.7580447 0.5187111      1.262869  
1 1 1 -29 1  17 o 23.57799 0.6298714 5.538956       0.2953603 6.426455       0.4327906 4.765264       0.4040899 3.521118       1.259743  
1 1 1 -29 1  18 o 26.99714 0.6133794 7.266208       0.3304045 6.631847       0.4524412 7.991080       0.4836427 -2.515591      1.226759  
1 1 1 -29 1  19 o 49.73910 0.6813827 24.76123       0.6776687 25.19254       0.9713116 24.35218       0.9459288 0.8431244      1.362765  
1 1 1 -29 1  20 o 56.05940 0.7277160 31.29671       0.8130932 29.44135       1.095636  33.57118       1.213088  -3.675129      1.455432  
1 1 1 -29 1  21 f 31.37210 0.6205458 9.848638       0.3892348 9.510635       0.5448248 10.20100       0.5562760 -1.099573      1.241092  
1 1 1 -29 1  22 o 28.70553 0.6281036 8.195806       0.3592384 7.311317       0.4877750 9.244236       0.5310603 -3.364027      1.256207  
1 1 1 -29 1  23 o 25.44546 0.7690332 6.592010       0.3763441 6.079357       0.6109266 6.905528       0.4777582 -1.633888      1.538066  
1 1 1 -29 1  24 o 23.34941 0.7985625 5.287078       0.3566207 6.051957       0.6168171 4.903021       0.4370772 2.445274       1.597125  
1 1 1 -29 1  25 o 26.53265 0.8933271 7.025735       0.4730072 6.531138       0.6446744 7.602477       0.6961544 -2.014040      1.786654  
1 1 1 -29 1  26 o 89.35817 1.437308  80.34979       2.568622  79.87200       3.614806  80.83708       3.650618  -0.5344391     2.874617  
1 1 1 -29 1  27 o 43.06533 0.9345436 18.36034       0.7995477 16.50768       1.059439  20.81174       1.218671  -4.980499      1.869087  
1 1 1 -29 1  28 o 86.60786 1.405839  75.48096       2.434877  74.69510       3.413332  76.29518       3.474351  -0.9138565     2.811677  
1 1 1 -29 1  29 o 19.95211 0.9379383 3.835016       0.3565831 3.510602       0.4343015 4.506111       0.6246455 -2.473467      1.875877  
1 1 1 -29 1  30 o 62.38476 0.9674534 38.84209       1.135479  38.45131       1.384395  39.64537       1.984828  -0.8862495     1.934907  
1 1 1 -29 1  31 o 39.56488 0.6744839 15.68138       0.5336155 15.78129       0.7487718 15.57827       0.7606612 0.2575912      1.348968  
1 1 1 -29 1  32 o 24.55384 0.7259452 6.042959       0.3563203 6.255551       0.5036042 5.829844       0.5042223 0.8669453      1.451890  
1 1 1 -29 1  33 o 38.25279 0.6759536 14.65464       0.5170190 14.20978       0.7254176 15.11391       0.7370721 -1.180710      1.351907  
1 1 1 -29 1  34 o 15.06424 0.9560910 2.277402       0.2879662 2.203271       0.4057311 2.352650       0.4087773 -0.4954071     1.912182  
1 1 1 -29 1  35 o 71.06636 0.8710753 50.59754       1.236988  52.03868       1.795700  49.29609       1.706443  1.918564       1.742151  
1 1 1 -29 1  36 o 20.14197 0.8271348 4.064984       0.3330470 4.233788       0.4785264 3.906400       0.4638172 0.8109264      1.654270  
1 1 1 -29 1  37 o 46.43575 0.7153254 21.60453       0.6642646 21.93089       0.9476193 21.28924       0.9314144 0.6891899      1.430651  
1 1 1 -29 1  38 o 29.49649 0.7161979 8.643210       0.4205742 7.698403       0.5662685 9.805562       0.6280869 -3.564955      1.432396  
1 1 1 -29 1  39 f 62.69288 0.8885193 39.22911       1.094919  38.28654       1.414951  40.63592       1.728626  -1.826786      1.777039  
1 1 1 -29 1  40 o 39.25396 0.8840044 15.64516       0.6544330 16.01843       0.8068823 14.92755       1.118769  1.437031       1.768009  
1 1 1 -29 1  41 o 53.97175 0.9486901 28.55547       0.9416609 27.52590       1.119202  31.05061       1.742323  -3.162273      1.897380  
1 1 1 -29 1  42 o 44.18079 0.8854226 19.68396       0.7440594 19.88260       0.9222618 19.31361       1.259290  0.6968498      1.770845  
1 1 1 -29 1  43 f 26.38550 0.9624901 6.706074       0.4777423 6.195652       0.5747263 7.847398       0.8594099 -3.078070      1.924980  
1 1 1 -29 1  44 o 23.83064 0.9816345 5.690919       0.4432617 5.651141       0.5448370 5.768793       0.7623116 -0.2049141     1.963269  
1 1 1 -29 1  45 o 40.40343 0.9174230 16.75891       0.7037469 17.63312       0.8810323 15.21790       1.169735  3.042171       1.834846  
1 1 1 -29 1  46 f 38.73059 0.9366701 15.11092       0.6807760 15.16295       0.8308703 15.00465       1.187491  0.2778168      1.873340  
1 1 1 -29 1  47 o 20.74149 1.134112  4.480680       0.4403305 4.794901       0.5466371 3.900008       0.7430987 2.204920       2.268223  
1 1 1 -29 1  48 o 14.69215 1.511483  2.125189       0.4117411 2.022598       0.4915536 2.366433       0.7537805 -1.079534      3.022965  
1 1 1 -29 1  49 o 26.31027 1.074255  7.119807       0.5303406 7.415241       0.6541157 6.553022       0.9060103 1.703836       2.148510  
1 1 1 -29 1  50 o 53.08810 0.8935741 28.15671       0.9289860 27.46401       1.191166  29.23217       1.484220  -1.600784      1.787148  
1 1 1 -29 1  51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 2  1  o 41.15462 0.6051180 16.94527       0.4978850 17.32082       0.7160930 16.59384       0.6927202 0.8817558      1.210236  
1 1 1 -29 2  2  o 53.94210 0.6904482 29.13350       0.7448098 28.81652       1.044307  29.46165       1.062571  -0.5966682     1.380896  
1 1 1 -29 2  3  o 73.26561 0.8516786 53.72984       1.246946  55.23330       1.808556  52.36755       1.721556  1.948174       1.703357  
1 1 1 -29 2  4  o 41.82669 0.6104107 17.50875       0.5105652 17.21536       0.7153620 17.81338       0.7289257 -0.7140503     1.220821  
1 1 1 -29 2  5  f 26.57193 0.5746105 7.054007       0.3049698 6.570737       0.4221609 7.581475       0.4410435 -1.900839      1.149221  
1 1 1 -29 2  6  o 8.456658 1.131873  0.7433403      0.1853746 0.9360408      0.2615591 0.5488613      0.2627636 2.412791       2.263747  
1 1 1 -29 2  7  o 30.23286 0.5761103 9.110084       0.3476016 9.915556       0.5101003 8.411807       0.4749460 2.485064       1.152221  
1 1 1 -29 2  8  o 74.56902 0.8656549 55.69581       1.290740  56.51893       1.848998  54.91343       1.802648  1.072853       1.731310  
1 1 1 -29 2  9  o 90.41159 1.013892  81.88821       1.832217  83.85073       2.648242  80.08624       2.537592  2.071709       2.027783  
1 1 1 -29 2  10 o 26.47665 0.5920465 6.941157       0.3115936 8.092918       0.4669459 6.016584       0.4183656 3.918491       1.184093  
1 1 1 -29 2  11 o 55.18647 0.7039143 30.46707       0.7765120 31.28439       1.120909  29.71291       1.076730  1.421013       1.407829  
1 1 1 -29 2  12 o 20.48306 0.6260341 4.206576       0.2556432 4.616042       0.3628509 3.803001       0.3602314 1.984518       1.252068  
1 1 1 -29 2  13 o 67.73260 0.8081190 45.95270       1.094715  45.96993       1.545939  45.93539       1.550392  0.2581787E-01  1.616238  
1 1 1 -29 2  14 o 24.01166 0.6153644 5.710516       0.2933070 4.826884       0.3947520 6.799597       0.4382467 -4.105434      1.230729  
1 1 1 -29 2  15 o 39.41371 0.6146790 15.54722       0.4844941 15.38924       0.6797604 15.71034       0.6907277 -0.4067345     1.229358  
1 1 1 -29 2  16 f 26.91049 0.5989420 7.243842       0.3222424 7.075817       0.4484935 7.423150       0.4633067 -0.6445389     1.197884  
1 1 1 -29 2  17 o 75.64304 0.8819982 57.31587       1.334029  56.48875       1.862273  58.18768       1.911911  -1.118942      1.763996  
1 1 1 -29 2  18 o 17.93270 0.7231429 3.220920       0.2592789 3.128263       0.3665972 3.313655       0.3667542 -0.5169010     1.446286  
1 1 1 -29 2  19 o 57.07446 0.8836503 33.12500       0.9731315 30.72014       1.569970  34.62542       1.240088  -3.448849      1.767301  
1 1 1 -29 2  20 o 32.34705 0.8480999 10.48235       0.5485359 10.40003       0.7660715 10.56895       0.7857984 -0.2594566     1.696200  
1 1 1 -29 2  21 f 36.34256 0.8644015 13.04794       0.6237768 11.55410       0.8258404 15.03230       0.9518194 -4.774269      1.728803  
1 1 1 -29 2  22 o 18.72483 0.9842807 3.519977       0.3674687 3.568614       0.5023033 3.463977       0.5389929 0.2831268      1.968561  
1 1 1 -29 2  23 o 61.08519 0.9912890 36.99221       1.176907  35.67758       1.485364  39.20960       1.929085  -2.845306      1.982578  
1 1 1 -29 2  24 o 49.78665 0.8413686 25.08228       0.8020256 25.71423       1.005815  23.97891       1.329033  1.770924       1.682737  
1 1 1 -29 2  25 o 44.91699 0.6693904 20.09427       0.5996377 18.73448       0.8119007 21.72611       0.8894230 -3.324646      1.338781  
1 1 1 -29 2  26 o 59.82310 0.7662603 35.54817       0.9118287 38.75384       1.380157  33.06514       1.214676  4.740742       1.532521  
1 1 1 -29 2  27 o 71.10127 0.8563153 50.67166       1.217694  50.79253       1.725978  50.55187       1.718206  0.1684875      1.712631  
1 1 1 -29 2  28 o 22.58839 0.7266541 5.115498       0.3264056 4.423664       0.4551137 5.848275       0.4683868 -3.152296      1.453308  
1 1 1 -29 2  29 o 20.44420 0.7483077 4.187825       0.3057959 4.375897       0.4346224 4.003448       0.4303311 0.9105072      1.496615  
1 1 1 -29 2  30 o 46.76069 0.6960533 21.89434       0.6508308 22.40963       0.9310966 21.40205       0.9100903 1.075565       1.392107  
1 1 1 -29 2  31 o 47.20647 0.7013730 22.31916       0.6620702 22.60097       0.9471612 22.04990       0.9258208 0.5817413      1.402746  
1 1 1 -29 2  32 o 70.08656 0.8586277 49.24569       1.203372  48.59859       1.683502  49.92176       1.720761  -0.9396896     1.717255  
1 1 1 -29 2  33 o 20.68912 0.7881906 4.260966       0.3247495 4.849760       0.4804427 3.765638       0.4406619 2.615782       1.576381  
1 1 1 -29 2  34 o 22.70063 0.7578138 5.161624       0.3439538 5.305343       0.4935927 5.025962       0.4795590 0.6138954      1.515628  
1 1 1 -29 2  35 f 12.90167 1.104332  1.675283       0.2836555 1.879473       0.4046223 1.477956       0.3977644 1.554984       2.208664  
1 1 1 -29 2  36 o 16.02581 0.9416426 2.580953       0.3005798 2.291539       0.4214601 2.880540       0.4288033 -1.836658      1.883285  
1 1 1 -29 2  37 o 6.388496 1.404868  0.1708131      0.2624172 -0.4152832     0.3584879 0.8474216      0.3851755 -5.188249      2.809736  
1 1 1 -29 2  38 o 29.17595 0.7056271 8.527108       0.4116400 8.728568       0.5903074 8.336416       0.5743157 0.6702557      1.411254  
1 1 1 -29 2  39 o 9.649257 1.482705  0.9637179      0.2860336 1.282756       0.4107902 0.6634622      0.3985144 3.263243       2.965411  
1 1 1 -29 2  40 o 24.71819 0.7622002 6.125169       0.3767269 6.287873       0.5385833 5.969302       0.5271454 0.6428719      1.524400  
1 1 1 -29 2  41 f 67.86608 0.8627425 46.20918       1.170720  45.35461       1.633227  47.11237       1.679020  -1.288040      1.725485  
1 1 1 -29 2  42 o 12.00807 1.367837  1.499265       0.3126292 1.918096       0.4465117 1.096500       0.4378641 3.590666       2.735673  
1 1 1 -29 2  43 o 54.57581 0.7787387 29.88216       0.8499842 29.58317       1.198707  30.18451       1.205439  -0.5499153     1.557477  
1 1 1 -29 2  44 o 9.447981 1.597256  0.9367767      0.3038686 1.255809       0.4382769 0.6414579      0.4216740 3.034791       3.194513  
1 1 1 -29 2  45 f 37.02620 0.7371899 13.75363       0.5458922 13.85842       0.7715837 13.64862       0.7724332 0.2834435      1.474380  
1 1 1 -29 2  46 o 24.20134 0.8345014 5.840647       0.4013719 4.987883       0.5450088 6.851275       0.5933138 -3.840794      1.669003  
1 1 1 -29 2  47 o 28.30114 0.7899081 8.049541       0.4466163 7.730477       0.6374159 8.357241       0.6259615 -1.109312      1.579816  
1 1 1 -29 2  48 o 9.502607 1.696300  0.9565657      0.3300871 0.6574770      0.4672785 1.254467       0.4663500 -2.841371      3.392601  
1 1 1 -29 2  49 o 27.26703 0.8215954 7.464662       0.4478758 7.255966       0.6230909 7.687754       0.6442215 -0.7874489     1.643191  
1 1 1 -29 2  50 o 35.57278 0.7848950 12.69599       0.5581453 13.17186       0.8039542 12.25322       0.7754886 1.285717       1.569790  
1 1 1 -29 2  51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 3  1  o 56.59608 1.031426  32.05301       1.165447  30.86118       1.591937  33.42957       1.710864  -2.256165      2.062852  
1 1 1 -29 3  2  o 58.62315 0.7290434 34.35117       0.8536830 35.76654       1.246446  33.10067       1.171607  2.268044       1.458087  
1 1 1 -29 3  3  o 29.91719 0.5699712 8.955147       0.3409625 8.714039       0.4769683 9.207118       0.4875948 -0.8234482     1.139942  
1 1 1 -29 3  4  f 24.56057 0.5837895 5.974627       0.2840404 7.270789       0.4240455 4.919781       0.3825407 4.783693       1.167579  
1 1 1 -29 3  5  o 34.59656 0.5815239 11.97534       0.4022860 12.27036       0.5759632 11.69432       0.5621257 0.8317184      1.163048  
1 1 1 -29 3  6  o 22.99055 0.5945035 5.219000       0.2708176 4.334432       0.3620704 6.342342       0.4080218 -4.364168      1.189007  
1 1 1 -29 3  7  o 69.71694 0.8224291 48.67017       1.146374  49.56660       1.646925  47.82760       1.596679  1.243240       1.644858  
1 1 1 -29 3  8  o 15.71371 0.6992726 2.473918       0.2193602 2.498787       0.3020680 2.446170       0.3190745 0.1685371      1.398545  
1 1 1 -29 3  9  o 33.59125 0.5833767 11.25244       0.3911884 10.58903       0.5339279 12.02125       0.5747756 -2.129639      1.166753  
1 1 1 -29 3  10 f 63.06992 0.7686532 39.82648       0.9693429 39.29293       1.352966  40.38921       1.389479  -0.8665161     1.537306  
1 1 1 -29 3  11 o 39.27626 0.6057745 15.23814       0.4725960 13.66439       0.6258619 17.32592       0.7208652 -4.655987      1.211549  
1 1 1 -29 3  12 f 40.50084 0.6183868 16.41325       0.5008063 16.74289       0.7168354 16.09895       0.6999602 0.7940140      1.236774  
1 1 1 -29 3  13 f 36.80380 0.6008112 13.51882       0.4415909 12.80081       0.6051645 14.33656       0.6458242 -2.084175      1.201622  
1 1 1 -29 3  14 o 73.76012 0.8633000 54.51011       1.273534  54.38643       1.797260  54.63486       1.804864  -0.1677933     1.726600  
1 1 1 -29 3  15 o 36.35598 0.7172244 13.29715       0.5030777 12.99755       0.8240659 13.47515       0.6351752 -0.6692047     1.434449  
1 1 1 -29 3  16 o 30.67447 0.7979255 9.402058       0.4888820 8.966807       0.6709428 9.894708       0.7138141 -1.509302      1.595851  
1 1 1 -29 3  17 o 23.74786 0.8293711 5.653326       0.3935356 5.736200       0.5470684 5.564450       0.5665284 0.3631382      1.658742  
1 1 1 -29 3  18 f 25.97980 0.8246620 6.758763       0.4279917 7.221574       0.6126393 6.317564       0.5981637 1.738682       1.649324  
1 1 1 -29 3  19 f 20.86148 0.7896125 4.306878       0.3150472 4.185180       0.3893599 4.537633       0.5361463 -0.8333912     1.579225  
1 1 1 -29 3  20 o 56.29987 0.7785718 31.74910       0.8702881 31.73107       1.162630  31.77209       1.312499  -0.2467728E-01 1.557144  
1 1 1 -29 3  21 o 33.98502 0.6177441 11.55438       0.4197225 11.15714       0.5851424 11.97536       0.6023878 -1.202702      1.235488  
1 1 1 -29 3  22 o 57.86843 0.7422723 33.42414       0.8571888 31.84028       1.165856  35.28783       1.264659  -2.971142      1.484545  
1 1 1 -29 3  23 o 9.056786 1.269572  0.8588266      0.2282550 1.395980       0.3319697 0.3771715      0.3143529 5.482146       2.539145  
1 1 1 -29 3  24 f 92.71494 1.046599  85.97133       1.936124  82.52628       2.630979  90.04069       2.859454  -4.027122      2.093198  
1 1 1 -29 3  25 o 30.29066 0.6434600 9.136497       0.3887460 9.973882       0.5751406 8.432130       0.5274852 2.541620       1.286920  
1 1 1 -29 3  26 o 34.87209 0.6353886 12.16619       0.4428425 11.54823       0.6175266 12.82044       0.6354039 -1.822857      1.270777  
1 1 1 -29 3  27 o 52.49436 0.7150556 27.47858       0.7487127 29.28521       1.109722  25.96907       1.014370  3.150764       1.430111  
1 1 1 -29 3  28 f 36.44041 0.6487386 13.29487       0.4725539 13.38125       0.6804678 13.21440       0.6567475 0.2271156      1.297477  
1 1 1 -29 3  29 o 39.08083 0.8997849 15.31369       0.7032365 15.13543       0.9874043 15.49719       1.001805  -0.4612541     1.799570  
1 1 1 -29 3  30 o 58.40965 0.7643939 34.18360       0.8928681 34.49100       1.273772  33.88665       1.251924  0.5152206      1.528788  
1 1 1 -29 3  31 o 48.29322 0.7021580 23.34297       0.6778566 22.63668       0.9410149 24.10475       0.9772812 -1.516624      1.404316  
1 1 1 -29 3  32 o 58.72143 0.7692627 34.43727       0.9014083 36.35213       1.330519  32.81273       1.225513  3.002850       1.538525  
1 1 1 -29 3  33 o 28.92989 0.6807641 8.363133       0.3932906 9.024737       0.5713779 7.767450       0.5421649 2.170282       1.361528  
1 1 1 -29 3  34 o 19.08714 0.8192389 3.638382       0.3112324 3.164974       0.4268989 4.175492       0.4547148 -2.643955      1.638478  
1 1 1 -29 3  35 o 48.80992 1.046156  23.90176       1.020576  24.74035       1.476533  23.13462       1.412238  1.635159       2.092312  
1 1 1 -29 3  36 o 18.16681 0.9166290 3.393778       0.3206258 2.344808       0.4532934 4.444045       0.4535733 -5.777635      1.833258  
1 1 1 -29 3  37 o 23.79004 0.7667239 5.680447       0.3640939 5.262973       0.5142413 6.100086       0.5155743 -1.759226      1.533448  
1 1 1 -29 3  38 o 23.62817 0.7618106 5.595256       0.3589509 6.192070       0.5154461 5.033302       0.5001653 2.450211       1.523621  
1 1 1 -29 3  39 o 25.36559 0.7480826 6.446463       0.3793546 6.678134       0.5453460 6.229256       0.5280488 0.8825817      1.496165  
1 1 1 -29 3  40 o 40.60593 0.7065068 16.40740       0.5715654 18.03170       0.8545526 15.09256       0.7688536 3.608437       1.413014  
1 1 1 -29 3  41 o 21.79947 0.8225873 4.749600       0.3573577 4.216321       0.4902782 5.354050       0.5219694 -2.604927      1.645175  
1 1 1 -29 3  42 f 7.214662 1.671273  0.4937905      0.2844283 0.6655086      0.4049633 0.3266113      0.3995754 1.638857       3.342546  
1 1 1 -29 3  43 o 14.61643 1.096094  2.144788       0.3154786 2.691013       0.4626391 1.670027       0.4313145 3.486017       2.192188  
1 1 1 -29 3  44 o 27.50114 0.7669718 7.585292       0.4214751 7.656090       0.6103188 7.520746       0.5827482 0.2418499      1.533944  
1 1 1 -29 3  45 o 10.54299 1.518118  1.168394       0.3093809 1.225200       0.4333380 1.109334       0.4418472 0.5629253      3.036237  
1 1 1 -29 3  46 o 28.87903 0.7674717 8.372555       0.4431800 8.196784       0.6280679 8.546861       0.6254429 -0.6065578     1.534943  
1 1 1 -29 3  47 o 29.51541 0.7861131 8.734478       0.4628146 7.882421       0.6425150 9.653319       0.6672214 -2.995628      1.572226  
1 1 1 -29 3  48 o 22.74900 0.8666415 5.200879       0.3941360 5.204007       0.5657856 5.197930       0.5493621 0.1001740E-01  1.733283  
1 1 1 -29 3  49 o 16.47634 1.133531  2.730186       0.3726919 2.998487       0.5436026 2.492218       0.5119520 1.527326       2.267062  
1 1 1 -29 3  50 o 37.41016 0.7796654 14.00548       0.5822021 12.89950       0.7989558 15.25772       0.8501422 -3.142120      1.559331  
1 1 1 -29 3  51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 4  1  f 24.61776 0.5659824 6.067115       0.2786041 6.120109       0.3910128 6.012468       0.3970685 0.2189884      1.131965  
1 1 1 -29 4  2  o 39.86745 0.7704412 15.55433       0.5542825 15.09263       0.6507533 16.77452       1.057912  -2.076939      1.540882  
1 1 1 -29 4  3  o 40.60934 0.9083361 16.52522       0.7375351 17.07980       1.053368  15.99188       1.032995  1.337566       1.816672  
1 1 1 -29 4  4  o 37.57214 0.7564600 14.10645       0.5249140 14.22862       0.9474625 14.05233       0.6305253 0.2102242      1.512920  
1 1 1 -29 4  5  o 39.33755 0.5980185 15.29555       0.4673740 13.77113       0.6194083 17.31090       0.7121961 -4.493542      1.196037  
1 1 1 -29 4  6  o 59.57922 0.7378021 35.52949       0.8788416 36.39108       1.263619  34.72225       1.223110  1.397507       1.475604  
1 1 1 -29 4  7  o 36.05156 0.5852875 12.87878       0.4198098 11.68841       0.5603690 14.40151       0.6337886 -3.758560      1.170575  
1 1 1 -29 4  8  f 44.12450 0.6285714 19.48918       0.5546825 19.73295       0.7884252 19.25027       0.7805136 0.5464706      1.257143  
1 1 1 -29 4  9  o 37.88707 0.5969033 14.35321       0.4520600 14.94274       0.6512076 13.80488       0.6280404 1.500324       1.193807  
1 1 1 -29 4  10 o 42.30114 0.6206796 17.85533       0.5241786 16.96037       0.7157680 18.89043       0.7697759 -2.278152      1.241359  
1 1 1 -29 4  11 o 42.07636 0.6223200 17.71473       0.5235667 17.38041       0.7304479 18.06799       0.7508435 -0.8158607     1.244640  
1 1 1 -29 4  12 o 20.34964 0.7136687 4.005017       0.2823236 4.744067       0.4706568 3.589626       0.3528549 2.828569       1.427337  
1 1 1 -29 4  13 o 65.03069 1.093114  42.36982       1.420486  41.16472       1.959714  43.70390       2.061923  -1.941750      2.186228  
1 1 1 -29 4  14 o 27.46015 0.7791876 7.526105       0.4271625 7.006805       0.5849548 8.119423       0.6252548 -2.022900      1.558375  
1 1 1 -29 4  15 o 31.49713 0.7303165 9.718150       0.4505454 8.942140       0.5725332 10.98032       0.7301742 -3.224489      1.460633  
1 1 1 -29 4  16 o 14.69012 0.9050918 2.215467       0.2527941 2.350319       0.3177659 1.982999       0.4172161 1.258734       1.810184  
1 1 1 -29 4  17 o 11.98229 0.9211898 1.458625       0.2166580 1.768771       0.3051431 1.143313       0.3076739 2.610152       1.842380  
1 1 1 -29 4  18 o 9.152714 1.196327  0.8686988      0.2101744 0.5476291      0.2900382 1.223720       0.3049881 -3.789255      2.392654  
1 1 1 -29 4  19 o 35.12613 0.6155222 12.27447       0.4310382 13.42337       0.6407841 11.32497       0.5825312 2.983299       1.231044  
1 1 1 -29 4  20 o 28.62887 0.6111588 8.198155       0.3497504 7.842069       0.4873748 8.576237       0.5022020 -1.281282      1.222318  
1 1 1 -29 4  21 o 24.61627 0.6386015 6.062459       0.3142536 6.208311       0.4529457 5.927093       0.4363616 0.5701008      1.277203  
1 1 1 -29 4  22 o 35.82421 0.6227345 12.83588       0.4459045 12.23623       0.6206283 13.47571       0.6410771 -1.728611      1.245469  
1 1 1 -29 4  23 o 52.53573 0.7092904 27.49577       0.7430599 25.76948       1.004793  29.57928       1.103871  -3.618496      1.418581  
1 1 1 -29 4  24 o 25.84912 0.6440432 6.694231       0.3326979 6.401495       0.4712035 6.985238       0.4698113 -1.129232      1.288086  
1 1 1 -29 4  25 o 76.24278 0.8977278 58.15438       1.366926  56.13593       1.872831  60.45543       1.999646  -2.820175      1.795456  
1 1 1 -29 4  26 o 52.51073 0.7157533 27.61622       0.7515559 27.76279       1.074443  27.47581       1.051645  0.2714119      1.431507  
1 1 1 -29 4  27 o 58.49563 0.7603474 34.28247       0.8895311 34.34188       1.261254  34.22368       1.254745  0.1004562      1.520695  
1 1 1 -29 4  28 f 20.38965 0.8316652 3.954483       0.3283342 5.049502       0.5564793 3.369705       0.4066620 4.104172       1.663330  
1 1 1 -29 4  29 o 48.94007 0.7021614 23.98301       0.6870343 24.34627       0.9874201 23.64212       0.9565420 0.7166977      1.404323  
1 1 1 -29 4  30 o 46.56954 0.6952912 21.37639       0.6423025 18.83025       0.8467017 24.82772       0.9857858 -6.426777      1.390582  
1 1 1 -29 4  31 o 40.25613 0.6661199 16.20198       0.5357187 16.88569       0.7803332 15.59245       0.7367824 1.602402       1.332240  
1 1 1 -29 4  32 o 11.55178 1.252991  1.425824       0.2591693 0.6593796      0.3549205 2.301354       0.3793381 -7.191381      2.505982  
1 1 1 -29 4  33 o 44.14911 0.6842865 19.51293       0.6039528 19.99314       0.8698831 19.06600       0.8391806 1.047131       1.368573  
1 1 1 -29 4  34 o 18.76933 0.8234915 3.536263       0.3086297 3.306070       0.4365484 3.766287       0.4363881 -1.226000      1.646983  
1 1 1 -29 4  35 o 15.27229 0.9682752 2.342016       0.2941476 2.674991       0.4229122 2.029991       0.4093922 2.109764       1.936550  
1 1 1 -29 4  36 o 22.21564 0.9801376 5.024697       0.4076843 5.161039       0.4996198 4.753028       0.7052541 0.9473286      1.960275  
1 1 1 -29 4  37 o 21.65279 0.7763172 4.698691       0.3361064 4.798374       0.4818584 4.604235       0.4690528 0.4467602      1.552634  
1 1 1 -29 4  38 o 25.90798 0.7303988 6.729017       0.3784600 6.763944       0.5363925 6.694393       0.5340617 0.1339436      1.460798  
1 1 1 -29 4  39 o 21.25778 0.8047996 4.541265       0.3413412 4.186725       0.4834117 4.893812       0.4820499 -1.663317      1.609599  
1 1 1 -29 4  40 o 18.87323 0.8746111 3.578108       0.3290489 3.212121       0.4609551 3.958379       0.4698637 -1.975658      1.749222  
1 1 1 -29 4  41 f 12.74999 1.168345  1.632070       0.2968480 1.838439       0.4316001 1.446811       0.4089296 1.531090       2.336690  
1 1 1 -29 4  42 o 12.27368 1.322242  1.607519       0.2983645 0.9711066      0.4217485 2.245156       0.4221541 -5.341771      2.644483  
1 1 1 -29 4  43 o 51.29494 0.7617452 26.37957       0.7812159 25.64680       1.088543  27.15782       1.121821  -1.467869      1.523490  
1 1 1 -29 4  44 f 10.52497 1.526480  1.162872       0.3105205 1.292347       0.4430548 1.037872       0.4353317 1.203315       3.052960  
1 1 1 -29 4  45 f 17.50550 0.9758244 3.085074       0.3405318 3.408368       0.4858972 2.773009       0.4773849 1.812918       1.951649  
1 1 1 -29 4  46 o 6.372021 1.617072  0.2417585      0.2968681 0.6426522      0.4178766 -0.1667387     0.4218209 3.103167       3.234143  
1 1 1 -29 4  47 o 27.24001 0.7926545 7.445396       0.4316849 7.623050       0.6206994 7.278962       0.6007772 0.6280136      1.585309  
1 1 1 -29 4  48 o 19.36657 0.9799970 3.780871       0.3777919 3.328425       0.5296832 4.249365       0.5389954 -2.375481      1.959994  
1 1 1 -29 4  49 o 19.87364 0.9463834 3.975269       0.3759631 3.810531       0.5296351 4.142592       0.5337732 -0.8344440     1.892767  
1 1 1 -29 4  50 o 34.05068 1.086635  11.70179       0.7390512 11.07609       1.049001  12.31845       1.041393  -1.826294      2.173269  
1 1 1 -29 5  1  f 25.31000 0.6305048 6.493448       0.3122005 5.994505       0.4847440 6.847113       0.4081151 -1.689518      1.261010  
1 1 1 -29 5  2  o 8.903138 1.800009  0.8195357      0.3366938 0.8339503      0.4787624 0.8054306      0.4735937 0.1405277      3.600017  
1 1 1 -29 5  3  f 35.46355 0.5721568 12.58872       0.4057885 12.57356       0.5705082 12.60425       0.5772952 -0.4285812E-01 1.144314  
1 1 1 -29 5  4  o 41.31149 0.6106873 17.04167       0.5038437 16.28065       0.6903160 17.90925       0.7370645 -1.968128      1.221375  
1 1 1 -29 5  5  o 58.32243 0.9623085 34.42270       1.104733  36.12991       1.460944  32.14292       1.688249  3.440655       1.924617  
1 1 1 -29 5  6  o 23.60884 0.9599661 5.596194       0.4524084 5.988202       0.6393555 5.203089       0.6402496 1.662842       1.919932  
1 1 1 -29 5  7  o 67.29587 1.059257  44.77895       1.372524  47.81939       2.306595  43.11227       1.707770  3.432701       2.118514  
1 1 1 -29 5  8  o 62.29738 0.7630579 38.84671       0.9502875 39.75200       1.369679  38.00648       1.319541  1.397079       1.526116  
1 1 1 -29 5  9  o 50.51883 0.7977959 25.80395       0.7792632 24.61426       1.261285  26.53845       0.9910388 -1.925766      1.595592  
1 1 1 -29 5  10 f 49.60686 0.9020162 24.65260       0.8946404 25.12995       1.285128  24.20374       1.246195  0.9300613      1.804032  
1 1 1 -29 5  11 o 59.33597 1.014967  35.30722       1.204431  35.48807       1.712693  35.13028       1.694104  0.2996330      2.029934  
1 1 1 -29 5  12 f 41.20103 0.7317546 17.04182       0.5815358 17.15836       0.7327409 16.84350       0.9558729 0.3980408      1.463509  
1 1 1 -29 5  13 o 40.44580 0.6159567 16.33495       0.4976331 17.33688       0.7250051 15.44242       0.6842783 2.339504       1.231913  
1 1 1 -29 5  14 o 40.63235 0.6167952 16.50105       0.5008141 15.86625       0.6912940 17.20223       0.7265357 -1.641827      1.233590  
1 1 1 -29 5  15 o 30.18195 0.5899669 9.084413       0.3553876 8.355735       0.4870075 9.914459       0.5197797 -2.580284      1.179934  
1 1 1 -29 5  16 o 7.441144 1.279973  0.5785323      0.1888888 0.5373082      0.2664357 0.6201883      0.2678278 -0.5289145     2.559945  
1 1 1 -29 5  17 o 68.25709 0.8189954 46.57334       1.116332  44.83792       1.527992  48.56006       1.634886  -2.717636      1.637991  
1 1 1 -29 5  18 o 38.89269 0.6231896 14.98898       0.4821968 16.78993       0.7281184 13.58210       0.6435449 4.118511       1.246379  
1 1 1 -29 5  19 o 34.55134 0.6111870 11.94164       0.4221568 12.26564       0.6082748 11.64055       0.5863673 0.9031906      1.222374  
1 1 1 -29 5  20 o 15.04124 0.7844430 2.266608       0.2358834 2.270156       0.3290544 2.262857       0.3383174 0.2502155E-01  1.568886  
1 1 1 -29 5  21 o 44.53516 0.6542407 19.85731       0.5827004 20.01245       0.8295370 19.70620       0.8186956 0.3430901      1.308481  
1 1 1 -29 5  22 o 68.90987 0.8298067 47.27366       1.138626  44.44586       1.525673  50.82887       1.710682  -4.615143      1.659613  
1 1 1 -29 5  23 o 22.31362 0.6734686 4.971022       0.3000383 5.384038       0.4370822 4.602957       0.4126108 1.748457       1.346937  
1 1 1 -29 5  24 o 82.42172 0.9522602 68.05180       1.568504  66.36177       2.166679  69.91273       2.273579  -2.142914      1.904520  
1 1 1 -29 5  25 o 16.16732 0.8113371 2.597577       0.2594531 3.195002       0.3850356 2.100691       0.3511459 3.381238       1.622674  
1 1 1 -29 5  26 o 37.66174 0.8554346 14.18212       0.6435093 13.33930       0.8855230 15.12528       0.9367559 -2.365963      1.710869  
1 1 1 -29 5  27 o 17.90768 0.7799401 3.203443       0.2788193 3.484932       0.4063425 2.952990       0.3832868 1.483082       1.559880  
1 1 1 -29 5  28 o 12.54253 1.001455  1.587382       0.2494603 1.382370       0.3547654 1.787891       0.3508475 -1.617066      2.002910  
1 1 1 -29 5  29 o 43.23828 0.6707545 18.57492       0.5777017 16.81714       0.7778425 20.73725       0.8627216 -4.525864      1.341509  
1 1 1 -29 5  30 o 49.57606 0.7030692 24.61320       0.6968194 24.95276       1.002558  24.29588       0.9691921 0.6594048      1.406138  
1 1 1 -29 5  31 o 22.60277 0.7116883 5.135466       0.3192874 4.370072       0.4478904 5.926330       0.4552814 -3.441919      1.423377  
1 1 1 -29 5  32 o 35.18812 0.6589930 12.33287       0.4621888 13.24536       0.6894052 11.58792       0.6229087 2.349140       1.317986  
1 1 1 -29 5  33 o 43.56021 0.6836665 19.00708       0.5954522 19.12675       0.8532088 18.89344       0.8314078 0.2657166      1.367333  
1 1 1 -29 5  34 o 10.76714 1.316464  1.260642       0.2635132 0.5272285      0.3663917 2.046517       0.3792697 -7.025520      2.632929  
1 1 1 -29 5  35 f 9.136887 1.426952  0.8746450      0.2540054 0.9319734      0.3611304 0.8185151      0.3573354 0.6059523      2.853905  
1 1 1 -29 5  36 o 14.51777 1.028239  2.125145       0.2973259 1.998561       0.4320126 2.239063       0.4098285 -0.8317223     2.056479  
1 1 1 -29 5  37 o 21.85325 0.7824011 4.781916       0.3413569 5.198321       0.4922991 4.396317       0.4737387 1.832642       1.564802  
1 1 1 -29 5  38 o 26.75960 0.7165825 7.189124       0.3828850 6.771752       0.5445122 7.597331       0.5385004 -1.543324      1.433165  
1 1 1 -29 5  39 o 38.08527 0.6918917 14.53622       0.5269080 14.12369       0.7396561 14.96125       0.7507896 -1.098228      1.383783  
1 1 1 -29 5  40 o 28.01044 0.7213272 7.865047       0.4027703 7.037575       0.5616904 8.740846       0.5778602 -3.038366      1.442654  
1 1 1 -29 5  41 o 20.16263 0.8419351 4.096221       0.3378458 3.656772       0.4803573 4.526385       0.4752557 -2.157272      1.683870  
1 1 1 -29 5  42 o 6.965901 1.657373  0.4571969      0.2770220 0.3317565      0.4007017 0.5720428      0.3834069 -1.091534      3.314747  
1 1 1 -29 5  43 o 19.56687 0.8826646 3.837361       0.3450571 4.054164       0.5013336 3.642204       0.4756477 1.048182       1.765329  
1 1 1 -29 5  44 o 25.90146 0.7827966 6.704535       0.4041415 7.533658       0.5911711 5.977063       0.5537475 2.998785       1.565593  
1 1 1 -29 5  45 o 28.02885 0.7555074 7.858428       0.4227823 8.492866       0.6175553 7.298773       0.5800177 2.123774       1.511015  
1 1 1 -29 5  46 o 37.05982 0.7444503 13.74292       0.5509941 14.58486       0.8052138 13.00155       0.7555973 2.127998       1.488901  
1 1 1 -29 5  47 o 9.272390 1.634806  0.9104390      0.3136128 1.260951       0.4425857 0.5569658      0.4444513 3.407898       3.269613  
1 1 1 -29 5  48 o 29.79619 0.7935895 8.920382       0.4726995 8.627264       0.6695673 9.211635       0.6674337 -0.9810276     1.587179  
1 1 1 -29 5  49 o 16.93299 1.086186  2.893211       0.3621599 2.260825       0.4989344 3.597460       0.5265211 -3.939508      2.172372  
1 1 1 -29 5  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 6  1  o 40.28209 0.5945318 16.14023       0.4773275 14.97719       0.6434230 17.56375       0.7118354 -3.205978      1.189064  
1 1 1 -29 6  2  o 22.38313 0.5451066 5.009140       0.2438893 4.824308       0.3384813 5.208716       0.3517228 -0.8579044     1.090213  
1 1 1 -29 6  3  o 11.04020 0.8009644 1.239631       0.1660585 0.7327471      0.2260927 1.833347       0.2446931 -4.983005      1.601929  
1 1 1 -29 6  4  o 32.40945 0.5596197 10.50739       0.3626089 10.90207       0.5194147 10.13217       0.5064442 1.186998       1.119239  
1 1 1 -29 6  5  o 29.26767 0.5585092 8.547646       0.3264085 7.977985       0.4481461 9.191315       0.4763681 -2.071156      1.117018  
1 1 1 -29 6  6  o 73.33810 1.035481  53.27320       1.421372  55.88378       2.525845  52.06343       1.719458  2.518120       2.070963  
1 1 1 -29 6  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 6  8  o 53.98540 1.328891  29.21996       1.434814  29.21996       1.434814  ?              ?         ?              ?         
1 1 1 -29 6  9  f 44.56437 1.946408  19.97008       1.734808  19.97008       1.734808  ?              ?         ?              ?         
1 1 1 -29 6  10 o 69.32904 1.208461  48.26945       1.675342  48.23471       2.347285  48.30553       2.391927  -0.4550934E-01 2.416922  
1 1 1 -29 6  11 o 25.26155 0.8016971 6.417935       0.3587482 6.340408       0.6908005 6.446566       0.4197956 -0.2318020     1.603394  
1 1 1 -29 6  12 o 63.39544 0.7735415 40.25835       0.9807533 40.44067       1.393219  40.07925       1.380852  0.2840652      1.547083  
1 1 1 -29 6  13 o 45.75219 0.6432394 20.95404       0.5885203 20.72551       0.8244706 21.19144       0.8403431 -0.5081482     1.286479  
1 1 1 -29 6  14 o 73.07461 0.8581642 53.51368       1.254200  53.49918       1.773788  53.52817       1.773625  -0.1985168E-01 1.716328  
1 1 1 -29 6  15 o 63.82684 0.7796804 40.78896       0.9949340 40.01796       1.384599  41.61208       1.430628  -1.245083      1.559361  
1 1 1 -29 6  16 o 60.98893 0.7578713 37.21469       0.9237380 36.15371       1.276396  38.38150       1.338544  -1.821491      1.515743  
1 1 1 -29 6  17 o 61.04692 0.7619821 37.31498       0.9300855 36.65393       1.297146  38.01445       1.334321  -1.111378      1.523964  
1 1 1 -29 6  18 o 53.94357 0.7096602 29.05873       0.7643208 27.75264       1.044170  30.56631       1.121828  -2.602207      1.419320  
1 1 1 -29 6  19 o 69.34937 0.8313982 48.12791       1.152139  49.69312       1.672478  46.71429       1.589432  2.140442       1.662796  
1 1 1 -29 6  20 o 28.01915 0.6121894 7.832977       0.3424657 8.348277       0.5023428 7.385520       0.4681068 1.715816       1.224379  
1 1 1 -29 6  21 o 33.17921 0.6176088 10.97131       0.4088273 10.03217       0.5583263 12.05692       0.6002901 -3.048470      1.235218  
1 1 1 -29 6  22 o 27.91629 0.6299697 7.773572       0.3510560 8.414972       0.5141965 7.213585       0.4804556 2.149452       1.259939  
1 1 1 -29 6  23 o 39.45969 0.6390117 15.55749       0.5037652 14.74835       0.6944034 16.45647       0.7319412 -2.161716      1.278023  
1 1 1 -29 6  24 o 18.11964 0.9372399 3.320883       0.3353664 3.918452       0.4737751 2.720762       0.4747859 3.305056       1.874480  
1 1 1 -29 6  25 o 25.28228 0.6506392 6.391161       0.3287408 6.706830       0.4754935 6.102113       0.4550027 1.194368       1.301278  
1 1 1 -29 6  26 o 36.45856 0.6397249 13.31189       0.4663971 13.23956       0.6643996 13.38216       0.6548740 -0.1962967     1.279450  
1 1 1 -29 6  27 o 39.47968 0.6504451 15.59335       0.5132130 14.78932       0.7141830 16.45187       0.7379879 -2.103653      1.300890  
1 1 1 -29 6  28 o 20.79689 0.7192984 4.344543       0.2979068 3.876074       0.4207047 4.815690       0.4219055 -2.258921      1.438597  
1 1 1 -29 6  29 o 5.048398 1.445292  0.1035394      0.2267428 0.1524872      0.3277297 0.5859697E-01  0.3140341 0.4711962      2.890584  
1 1 1 -29 6  30 o 12.37880 1.023830  1.536591       0.2533015 1.589499       0.3666278 1.488271       0.3503698 0.4066334      2.047661  
1 1 1 -29 6  31 o 68.34718 0.8410385 46.81820       1.149210  47.60829       1.653044  46.07913       1.598771  1.112457       1.682077  
1 1 1 -29 6  32 o 35.56348 0.6642569 12.65279       0.4718404 12.97749       0.6884529 12.36516       0.6479532 0.8571739      1.328514  
1 1 1 -29 6  33 o 9.374598 1.334967  0.9158669      0.2449036 0.6940665      0.3490829 1.130845       0.3436724 -2.462584      2.669934  
1 1 1 -29 6  34 o 43.12119 0.6861058 18.60661       0.5910825 19.12458       0.8600824 18.14303       0.8136802 1.133472       1.372212  
1 1 1 -29 6  35 o 34.07758 0.6798137 11.63717       0.4624219 10.69693       0.6479665 12.61302       0.6601298 -2.810143      1.359627  
1 1 1 -29 6  36 f 30.39536 0.6888900 9.248595       0.4183820 9.467828       0.6076521 9.050984       0.5769074 0.6823826      1.377780  
1 1 1 -29 6  37 o 16.81257 1.217355  2.666042       0.3901849 2.294716       0.4728360 3.458591       0.6907898 -3.416446      2.434710  
1 1 1 -29 6  38 o 11.79488 1.227397  1.447744       0.2746331 1.082350       0.3902347 1.806308       0.3865709 -3.221017      2.454794  
1 1 1 -29 6  39 o 23.69871 0.7593011 5.637792       0.3587900 5.088968       0.5036411 6.203337       0.5112558 -2.350101      1.518602  
1 1 1 -29 6  40 f 32.62809 0.6992401 10.66659       0.4559822 10.81539       0.6590442 10.52995       0.6315468 0.4339828      1.398480  
1 1 1 -29 6  41 f 23.92054 0.7813610 5.772719       0.3708155 4.946136       0.5253820 6.593228       0.5234479 -3.443121      1.562722  
1 1 1 -29 6  42 o 21.63997 0.8231292 4.695093       0.3560102 4.849288       0.5151657 4.554142       0.4925447 0.6782799      1.646258  
1 1 1 -29 6  43 o 20.12517 0.8735373 4.043043       0.3501858 4.588771       0.5162917 3.578068       0.4765652 2.504089       1.747075  
1 1 1 -29 6  44 o 14.58126 1.107828  2.130076       0.3214574 2.454108       0.4727318 1.851371       0.4384233 2.058558       2.215656  
1 1 1 -29 6  45 o 41.53652 0.7355123 17.31033       0.6108693 17.35600       0.8739318 17.26669       0.8542052 0.1043015      1.471025  
1 1 1 -29 6  46 o 24.63473 0.8354934 6.064430       0.4102244 6.817854       0.6025829 5.413633       0.5600401 2.842115       1.670987  
1 1 1 -29 6  47 f 38.45525 0.7557615 14.84948       0.5810612 14.53049       0.8261502 15.16176       0.8174088 -0.8223534     1.511523  
1 1 1 -29 6  48 o 25.23107 0.8321826 6.399687       0.4196327 6.335789       0.6033329 6.459564       0.5840378 -0.2493324     1.664365  
1 1 1 -29 6  49 o 10.80252 1.618898  1.233520       0.3391916 1.339447       0.4771937 1.125348       0.4822246 0.9892292      3.237795  
1 1 1 -29 6  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 7  1  o 36.05908 0.5627781 12.97437       0.4052116 13.90355       0.5925413 12.15809       0.5553741 2.417835       1.125556  
1 1 1 -29 7  2  o 24.36695 0.5234224 5.925481       0.2546748 5.505936       0.3502350 6.396222       0.3709896 -1.825590      1.046845  
1 1 1 -29 7  3  o 26.55001 0.5286636 7.055377       0.2807135 7.115071       0.3970810 6.995738       0.3968968 0.2247219      1.057327  
1 1 1 -29 7  4  o 86.50517 1.179629  75.01173       1.935450  75.60788       3.317636  74.70417       2.382978  0.4026718      2.359258  
1 1 1 -29 7  5  o 29.76332 0.6671236 8.869592       0.3970795 8.941782       0.5662162 8.799729       0.5570074 0.2379761      1.334247  
1 1 1 -29 7  6  f 29.46581 0.6726320 8.694864       0.3963622 8.618222       0.5623471 8.770530       0.5587518 -0.2587032     1.345264  
1 1 1 -29 7  7  o 20.79749 0.6254790 4.405194       0.2556329 5.093321       0.3511386 3.629220       0.3728792 3.521317       1.250958  
1 1 1 -29 7  8  o 23.81773 0.5662699 5.621284       0.2676404 4.724819       0.3607201 6.719208       0.3991994 -4.184484      1.132540  
1 1 1 -29 7  9  o 18.58939 0.5986948 3.448553       0.2207760 4.096323       0.3223280 2.876081       0.3030151 3.280886       1.197390  
1 1 1 -29 7  10 o 26.85498 0.9553721 7.193707       0.5114630 6.454365       0.6976968 8.052587       0.7519862 -2.970215      1.910744  
1 1 1 -29 7  11 o 54.95414 0.7083301 30.02079       0.7749808 27.98989       1.037298  32.58658       1.165919  -4.172741      1.416660  
1 1 1 -29 7  12 o 27.45013 0.7786233 7.346434       0.3787769 7.124254       0.4397055 7.985640       0.7458135 -1.544514      1.557247  
1 1 1 -29 7  13 o 10.75325 1.697014  1.185802       0.3682995 1.616892       0.5340424 0.7948145      0.5085970 3.841658       3.394028  
1 1 1 -29 7  14 o 65.49596 1.167312  43.06824       1.528950  42.89982       2.146276  43.24176       2.178609  -0.2570801     2.334624  
1 1 1 -29 7  15 o 45.56158 0.8823685 20.02040       0.7574402 23.12813       1.355407  18.60917       0.9133675 4.918304       1.764737  
1 1 1 -29 7  16 o 60.29071 0.9472330 36.76257       1.074152  35.50598       1.852500  37.39904       1.318414  -1.622223      1.894466  
1 1 1 -29 7  17 o 69.46684 0.8317077 48.33195       1.155134  47.45928       1.608379  49.26162       1.660059  -1.292725      1.663415  
1 1 1 -29 7  18 o 48.86474 0.6799209 23.78621       0.6625445 22.29876       0.8961625 25.57929       0.9839353 -3.350395      1.359842  
1 1 1 -29 7  19 o 30.33011 0.6055706 9.186374       0.3668473 8.598763       0.5053450 9.841021       0.5333913 -2.046068      1.211141  
1 1 1 -29 7  20 o 19.25541 0.6789138 3.712868       0.2613911 3.602638       0.3680976 3.824995       0.3712480 -0.5771542     1.357828  
1 1 1 -29 7  21 o 62.76661 1.069921  39.53383       1.343029  39.06916       1.887503  40.01034       1.911383  -0.7469025     2.139842  
1 1 1 -29 7  22 o 12.01935 1.046332  1.504887       0.2300404 2.142297       0.3325417 0.9199468      0.3185610 5.204142       2.092665  
1 1 1 -29 7  23 f 44.19135 0.6559377 19.55262       0.5796744 19.81330       0.8271420 19.30101       0.8126178 0.5785255      1.311875  
1 1 1 -29 7  24 o 53.41611 0.7154554 28.58182       0.7643355 28.55722       1.081635  28.60636       1.080234  -0.4611588E-01 1.430911  
1 1 1 -29 7  25 o 26.88269 0.6411737 7.227808       0.3439668 6.579615       0.4777151 7.925632       0.4956663 -2.502104      1.282347  
1 1 1 -29 7  26 o 44.47830 0.6678968 19.70391       0.5924305 18.29532       0.8021736 21.39404       0.8786917 -3.477024      1.335794  
1 1 1 -29 7  27 o 27.47689 0.6494778 7.506630       0.3555697 8.415751       0.5280967 6.752710       0.4809118 3.022316       1.298956  
1 1 1 -29 7  28 o 26.64368 0.6538501 7.071624       0.3473926 7.843704       0.5119424 6.412686       0.4729461 2.682104       1.307700  
1 1 1 -29 7  29 o 53.89162 0.7301971 29.00011       0.7853425 30.64505       1.157986  27.59915       1.068667  2.817150       1.460394  
1 1 1 -29 7  30 o 77.35390 0.9166932 60.02581       1.418146  59.52601       1.995493  60.53584       2.015784  -0.6502075     1.833386  
1 1 1 -29 7  31 o 35.15219 0.6617244 12.34631       0.4642280 12.84072       0.6838278 11.92368       0.6322381 1.299660       1.323449  
1 1 1 -29 7  32 o 40.57334 0.6757997 16.48865       0.5479342 15.58505       0.7680141 17.42537       0.7819661 -2.266541      1.351599  
1 1 1 -29 7  33 o 24.70014 0.6881769 6.114501       0.3395371 6.079936       0.4918878 6.145962       0.4692664 -0.1359310     1.376354  
1 1 1 -29 7  34 o 18.94376 0.8108105 3.575705       0.3062119 3.957317       0.4538134 3.256737       0.4148968 1.844450       1.621621  
1 1 1 -29 7  35 o 35.96970 0.6740225 12.96665       0.4846854 12.86023       0.6939246 13.06802       0.6772760 -0.2905807     1.348045  
1 1 1 -29 7  36 o 35.82731 0.6807815 12.85174       0.4873717 13.13476       0.7072368 12.59580       0.6725650 0.7482491      1.361563  
1 1 1 -29 7  37 o 8.591210 1.917625  0.7274991      0.3327073 0.6842216      0.6932086 0.7404520      0.3792425 0.3753490      3.835251  
1 1 1 -29 7  38 o 23.05018 0.7768556 5.218518       0.3535467 6.559550       0.5421256 4.226110       0.4663645 5.051325       1.553711  
1 1 1 -29 7  39 o 14.85055 1.020620  2.202337       0.2977537 2.829112       0.4413589 1.678802       0.4033747 3.866183       2.041239  
1 1 1 -29 7  40 o 12.01002 1.272882  1.485806       0.2956706 1.267242       0.4216804 1.697184       0.4146898 -1.949578      2.545763  
1 1 1 -29 7  41 f 6.939416 1.657476  0.4469455      0.2806234 0.2752444      0.4085624 0.6002945      0.3861113 -1.448568      3.314952  
1 1 1 -29 7  42 o 39.37401 0.7214043 15.51323       0.5673849 14.54574       0.7826557 16.58492       0.8237255 -2.583588      1.442809  
1 1 1 -29 7  43 o 12.21314 1.308515  1.541338       0.3054407 1.181104       0.4268394 1.919385       0.4372660 -3.179831      2.617029  
1 1 1 -29 7  44 o 20.06398 0.8981227 4.055459       0.3589931 3.636670       0.5067778 4.477287       0.5086130 -2.094475      1.796245  
1 1 1 -29 7  45 o 6.311506 1.555699  0.2040039      0.2889025 0.7002927      0.4081825 -0.2941729     0.4089582 3.781185       3.111397  
1 1 1 -29 7  46 o 30.14238 0.7730064 9.105008       0.4647151 8.195815       0.6435912 10.09542       0.6717238 -3.146055      1.546013  
1 1 1 -29 7  47 o 8.102515 1.642217  0.6105006      0.3132271 0.1572868      0.4279390 1.133496       0.4597050 -4.504780      3.284433  
1 1 1 -29 7  48 o 38.51931 0.8316345 14.92984       0.6397967 14.29713       0.9151673 15.53469       0.8947949 -1.610626      1.663269  
1 1 1 -29 7  49 o 27.21000 2.237163  0.000000       0.000000  ?              ?         7.533534       1.217464  ?              ?         
1 1 1 -29 8  1  o 29.53586 0.9951487 8.700045       0.5856588 7.751775       0.7965363 9.815935       0.8640733 -3.486135      1.990297  
1 1 1 -29 8  2  o 17.65200 1.874910  0.000000       0.000000  ?              ?         3.134435       0.6619182 ?              ?         
1 1 1 -29 8  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 8  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 8  5  o 65.53581 0.7881325 43.03252       1.032988  43.37646       1.467575  42.69481       1.454247  0.5188751      1.576265  
1 1 1 -29 8  6  o 41.21867 0.5978326 17.00491       0.4927559 16.79582       0.6892740 17.22348       0.7047063 -0.5177383     1.195665  
1 1 1 -29 8  7  o 39.77692 0.5928973 15.83928       0.4716640 15.97129       0.6679801 15.70803       0.6660911 0.3307915      1.185795  
1 1 1 -29 8  8  o 32.57999 0.5615712 10.61096       0.3656702 10.13234       0.5071729 11.12913       0.5277099 -1.528492      1.123142  
1 1 1 -29 8  9  o 41.93990 0.6112133 17.58701       0.5123174 18.21738       0.7418592 17.01228       0.7083540 1.434483       1.222427  
1 1 1 -29 8  10 o 38.08081 0.5919294 14.39537       0.4489078 13.11065       0.6028044 15.99493       0.6726214 -3.782597      1.183859  
1 1 1 -29 8  11 f 38.00900 0.5948154 14.44933       0.4519205 14.85146       0.6524287 14.07844       0.6265789 1.015228       1.189631  
1 1 1 -29 8  12 o 64.18684 1.160971  41.35192       1.489881  40.78292       2.075134  41.95728       2.140401  -0.9066620     2.321942  
1 1 1 -29 8  13 o 25.51150 0.5716391 6.515863       0.2916151 6.442960       0.4148381 6.587083       0.4100163 -0.2827625     1.143278  
1 1 1 -29 8  14 o 12.76735 0.7601016 1.632306       0.1934261 1.820062       0.2779115 1.455902       0.2693795 1.425441       1.520203  
1 1 1 -29 8  15 f 19.99489 0.6187649 4.002347       0.2474338 3.962852       0.3482352 4.042619       0.3516381 -0.1992397     1.237530  
1 1 1 -29 8  16 o 72.03077 1.073058  52.14198       1.439687  52.27210       1.744636  51.86424       2.548890  0.3753204      2.146116  
1 1 1 -29 8  17 o 70.26080 1.068893  48.44546       1.361819  47.01390       1.604234  52.13782       2.576423  -3.534050      2.137786  
1 1 1 -29 8  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 8  19 o 61.65093 1.157849  38.02439       1.424187  36.15477       1.933506  40.24186       2.105703  -3.292217      2.315698  
1 1 1 -29 8  20 o 42.45568 0.9971046 18.08235       0.8466289 18.28398       1.200542  17.88287       1.194112  0.4716492      1.994209  
1 1 1 -29 8  21 o 63.42614 0.9891942 40.64429       1.176521  39.52694       2.044624  41.19741       1.438542  -1.385349      1.978388  
1 1 1 -29 8  22 o 65.66302 1.015505  43.33091       1.241237  43.08537       2.199977  43.44558       1.503373  -0.3566284     2.031010  
1 1 1 -29 8  23 o 27.58325 0.6284376 7.605898       0.3459020 6.914163       0.4793791 8.357240       0.4996063 -2.614319      1.256875  
1 1 1 -29 8  24 o 31.85629 0.6179135 10.15690       0.3935718 10.35938       0.5650865 9.966153       0.5484742 0.6159096      1.235827  
1 1 1 -29 8  25 o 13.26777 0.8718410 1.766949       0.2305145 1.579600       0.3231916 1.960945       0.3288762 -1.436484      1.743682  
1 1 1 -29 8  26 o 24.20073 0.6525140 5.859924       0.3155999 6.179647       0.4537947 5.560418       0.4392138 1.278120       1.305028  
1 1 1 -29 8  27 o 26.23722 0.6671518 6.909760       0.3493450 6.499641       0.4993328 7.302965       0.4889284 -1.531811      1.334304  
1 1 1 -29 8  28 o 58.06390 0.7588061 33.70815       0.8798596 35.22526       1.288247  32.38169       1.204581  2.440052       1.517612  
1 1 1 -29 8  29 o 47.69141 0.6923151 22.77830       0.6602243 22.32291       0.9230059 23.25542       0.9447707 -0.9755974     1.384630  
1 1 1 -29 8  30 o 30.16871 0.6630369 9.051565       0.3985296 9.912044       0.5960041 8.355693       0.5359752 2.573875       1.326074  
1 1 1 -29 8  31 o 65.51402 0.8229422 43.03639       1.078250  42.59422       1.518397  43.48620       1.531438  -0.6792145     1.645884  
1 1 1 -29 8  32 o 24.13205 0.7157284 5.858998       0.3439185 5.295910       0.4908651 6.401940       0.4820043 -2.292543      1.431457  
1 1 1 -29 8  33 o 22.96546 0.7285414 5.303623       0.3327614 4.649523       0.4697066 5.962701       0.4714898 -2.858835      1.457083  
1 1 1 -29 8  34 o 45.68680 0.6974903 20.91113       0.6372027 20.36222       0.8933544 21.47960       0.9091341 -1.221172      1.394981  
1 1 1 -29 8  35 o 19.15272 0.7969716 3.652761       0.3041849 4.058243       0.4525605 3.318617       0.4108261 1.925377       1.593943  
1 1 1 -29 8  36 o 34.23909 0.6868128 11.74303       0.4700491 11.95559       0.6784946 11.54686       0.6518078 0.5936966      1.373626  
1 1 1 -29 8  37 o 33.46990 0.6919546 11.14618       0.4614581 12.29897       0.6888869 10.20788       0.6215032 3.115629       1.383909  
1 1 1 -29 8  38 o 14.85557 1.012171  2.236053       0.2977926 1.901475       0.4249216 2.558987       0.4174620 -2.214336      2.024341  
1 1 1 -29 8  39 o 14.15627 1.043440  2.006073       0.2906661 2.539578       0.4284035 1.550976       0.3956727 3.485641       2.086880  
1 1 1 -29 8  40 o 42.25120 0.7193370 17.89442       0.6075979 17.17128       0.8508391 18.64697       0.8679633 -1.743984      1.438674  
1 1 1 -29 8  41 o 19.28530 0.8674185 3.735263       0.3345231 3.755307       0.4699858 3.714680       0.4762507 0.1064110      1.734837  
1 1 1 -29 8  42 o 43.57148 0.7351320 19.04464       0.6405379 18.66971       0.9044808 19.42187       0.9072403 -0.8627167     1.470264  
1 1 1 -29 8  43 o 41.40756 0.7306430 17.20528       0.6049863 17.08410       0.8614819 17.32320       0.8497975 -0.2906151     1.461286  
1 1 1 -29 8  44 o 8.447397 1.388038  0.6668312      0.2897249 -0.7584564E-01 0.4062696 1.435383       0.4132864 -6.955336      2.776076  
1 1 1 -29 8  45 o 7.141644 1.736908  0.4691498      0.3026841 0.5823667      0.4298784 0.3578285      0.4262644 1.023348       3.473815  
1 1 1 -29 8  46 o 7.610202 1.736727  0.5763978      0.3020969 0.5080588      0.4386072 0.6380789      0.4166937 -0.5657372     3.473454  
1 1 1 -29 8  47 o 38.12684 0.9149000 14.56091       0.6923962 14.13811       0.9185440 15.11728       1.053704  -1.252884      1.829800  
1 1 1 -29 8  48 f 19.40005 1.202718  3.770950       0.4605161 4.707458       0.6830931 2.990683       0.6235134 4.407360       2.405436  
1 1 1 -29 8  49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 9  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 9  2  o 18.66778 2.622456  3.527436       0.9791089 3.527436       0.9791089 ?              ?         ?              ?         
1 1 1 -29 9  3  o 20.59726 1.170563  4.241735       0.4809685 3.961432       0.6525842 4.575056       0.7116291 -1.481064      2.341127  
1 1 1 -29 9  4  o 41.71783 0.9882064 17.45593       0.8241837 17.26337       1.146845  17.66159       1.185247  -0.4726868     1.976413  
1 1 1 -29 9  5  o 52.85261 1.063016  28.03628       1.123408  27.86101       1.570014  28.22017       1.608151  -0.3349533     2.126032  
1 1 1 -29 9  6  o 33.21862 0.9891232 11.06762       0.6569688 11.43680       0.9368789 10.71045       0.9215004 1.091515       1.978246  
1 1 1 -29 9  7  o 33.75737 0.9761464 11.42105       0.6587013 10.94157       0.9172089 11.93172       0.9465737 -1.463230      1.952293  
1 1 1 -29 9  8  o 31.71813 0.5459085 10.03268       0.3456404 9.302717       0.4731460 10.86800       0.5061389 -2.465420      1.091817  
1 1 1 -29 9  9  f 34.30458 0.5658250 11.77505       0.3880927 11.98475       0.5571840 11.57746       0.5408713 0.5925827      1.131650  
1 1 1 -29 9  10 o 89.58047 1.009425  80.50764       1.808473  80.85684       2.565333  80.16263       2.549870  0.3857040      2.018849  
1 1 1 -29 9  11 o 60.10513 0.7488771 36.16099       0.8997158 35.33816       1.247037  37.05431       1.299356  -1.423187      1.497754  
1 1 1 -29 9  12 f 48.28333 0.6608279 23.33859       0.6380153 23.01742       0.8916295 23.67558       0.9133421 -0.6799431     1.321656  
1 1 1 -29 9  13 o 27.68960 0.6902159 7.664951       0.3817064 7.121625       0.5285970 8.256975       0.5517776 -2.048332      1.380432  
1 1 1 -29 9  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 9  15 f 22.75937 0.5946955 5.181892       0.2705947 5.362840       0.3886938 5.011726       0.3769343 0.7705650      1.189391  
1 1 1 -29 9  16 o 19.54647 0.6211467 3.802885       0.2416985 4.361068       0.3558502 3.324838       0.3293165 2.648796       1.242293  
1 1 1 -29 9  17 o 25.04209 0.5949000 6.277223       0.2978092 6.013934       0.4180917 6.548400       0.4243087 -1.066708      1.189800  
1 1 1 -29 9  18 o 31.47704 0.5954832 9.913218       0.3747452 9.568466       0.5229259 10.27719       0.5373062 -1.124781      1.190966  
1 1 1 -29 9  19 o 17.03028 0.6896624 2.905817       0.2347459 2.776093       0.3312607 3.036675       0.3327058 -0.7649403     1.379325  
1 1 1 -29 9  20 o 56.93702 0.7365232 32.41066       0.8376446 31.18489       1.149704  33.79747       1.222898  -2.287796      1.473046  
1 1 1 -29 9  21 o 38.24854 0.6267052 14.63737       0.4791906 14.25593       0.6654596 15.04817       0.6905948 -1.033722      1.253410  
1 1 1 -29 9  22 o 85.59761 1.071681  72.72569       1.788689  69.96316       2.268828  77.26251       2.907522  -4.178658      2.143363  
1 1 1 -29 9  23 o 61.92137 0.9846870 38.69236       1.139279  39.09155       1.387237  37.86531       1.996782  1.065132       1.969374  
1 1 1 -29 9  24 f 72.04233 1.267737  52.20116       1.826474  51.66917       2.563603  52.74958       2.602895  -0.7433624     2.535475  
1 1 1 -29 9  25 o 21.89233 1.195089  4.665292       0.5128438 6.226745       0.8030567 3.589919       0.6664407 6.000729       2.390178  
1 1 1 -29 9  26 o 47.15798 1.049204  22.32020       0.9893009 21.71386       1.381147  22.95909       1.417735  -1.315094      2.098408  
1 1 1 -29 9  27 o 42.36301 1.041179  17.94510       0.8801764 19.21495       1.298448  16.86553       1.197219  2.758625       2.082359  
1 1 1 -29 9  28 o 11.07059 1.996292  1.327849       0.4460146 1.001148       0.6965727 1.554862       0.5806530 -2.225780      3.992583  
1 1 1 -29 9  29 f 37.73484 0.9304950 13.82536       0.6584826 15.60985       1.184120  13.02647       0.7922842 3.371948       1.860990  
1 1 1 -29 9  30 o 30.87533 0.9573846 9.338655       0.5536988 10.22027       0.9916465 8.939283       0.6674314 2.029800       1.914769  
1 1 1 -29 9  31 o 33.89939 0.8973616 11.37458       0.5330476 11.85343       1.057486  11.21146       0.6171943 0.8906174      1.794723  
1 1 1 -29 9  32 o 9.702206 1.845930  0.9017245      0.3101231 1.116290       0.6999184 0.8493097      0.3459344 1.396927       3.691860  
1 1 1 -29 9  33 o 53.10528 0.9504488 28.27371       0.9210817 28.41262       1.695841  28.21558       1.096994  0.9875870E-01  1.900898  
1 1 1 -29 9  34 o 15.80542 1.336223  2.168766       0.3451183 3.164805       0.8116900 1.948963       0.3813013 3.750968       2.672446  
1 1 1 -29 9  35 o 45.53494 0.7675619 20.94139       0.6917085 19.62906       1.037133  21.99281       0.9283324 -2.609974      1.535124  
1 1 1 -29 9  36 o 33.09907 0.7431291 10.97525       0.4829091 11.04001       0.7601398 10.93142       0.6253083 0.1464539      1.486258  
1 1 1 -29 9  37 o 17.47460 0.9362676 3.019635       0.3206914 3.298508       0.5159431 2.844065       0.4093775 1.282660       1.872535  
1 1 1 -29 9  38 o 50.91465 1.148606  26.10048       1.169174  26.00229       1.674921  26.19381       1.632806  -0.1968346     2.297212  
1 1 1 -29 9  39 o 21.03431 0.8922791 4.548865       0.3654329 3.863219       0.5581532 5.063276       0.4834579 -2.865034      1.784558  
1 1 1 -29 9  40 o 41.05101 0.7832421 17.01714       0.6358528 16.11520       0.9595842 17.72317       0.8489994 -1.975597      1.566484  
1 1 1 -29 9  41 o 27.87376 1.056125  7.859355       0.5095916 7.737639       1.014811  7.900396       0.5892743 -0.3794346     2.112251  
1 1 1 -29 9  42 o 21.00876 1.224203  4.358117       0.4400859 4.643628       0.9085711 4.270599       0.5030343 0.7819252      2.448405  
1 1 1 -29 9  43 o 23.32457 1.160106  5.507512       0.4712622 5.442198       0.9304643 5.530047       0.5465486 -0.2834492     2.320211  
1 1 1 -29 9  44 o 15.74467 1.874017  3.220581       0.4854397 1.304610       0.8496783 4.149021       0.5914758 -9.112584      3.748035  
1 1 1 -29 9  45 o 9.669859 2.144099  1.003420       0.4639868 0.4584995      0.8777787 1.214713       0.5465896 -2.047134      4.288198  
1 1 1 -29 9  46 o 41.38885 2.671076  17.56455       2.211055  17.56455       2.211055  ?              ?         ?              ?         
1 1 1 -29 9  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 9  48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 10 1  o 13.46721 1.733297  1.886180       0.4472570 2.617836       0.6509063 1.231738       0.6156030 5.300573       3.466594  
1 1 1 -29 10 2  o 10.85805 1.885304  1.233295       0.4198237 0.7659837      0.5846556 1.730754       0.6032203 -4.042958      3.770609  
1 1 1 -29 10 3  o 19.39286 1.254540  3.782671       0.4864454 3.901553       0.6904247 3.665486       0.6854773 0.6078377      2.509080  
1 1 1 -29 10 4  o 22.23783 1.173726  4.972721       0.5216830 5.075395       0.7297589 4.865412       0.7460532 0.4745750      2.347451  
1 1 1 -29 10 5  o 39.10694 1.015428  15.33260       0.7935358 16.24618       1.141634  14.47859       1.103781  2.255096       2.030855  
1 1 1 -29 10 6  o 16.55984 1.416233  2.766471       0.4680783 2.948437       0.6586471 2.580796       0.6653287 1.111210       2.832466  
1 1 1 -29 10 7  o 30.18114 1.029356  9.069331       0.6178495 10.54362       0.9164699 7.841008       0.8365334 4.467241       2.058712  
1 1 1 -29 10 8  o 11.30292 1.899045  1.336816       0.4324381 1.830800       0.6254562 0.8844180      0.5985504 3.904956       3.798089  
1 1 1 -29 10 9  f 32.92143 1.008893  10.85628       0.6630688 11.82436       0.9582320 9.966866       0.9184730 2.816267       2.017787  
1 1 1 -29 10 10 o 23.95185 0.5246298 5.743287       0.2512700 5.669556       0.3572792 5.815447       0.3534507 -0.3047943     1.049260  
1 1 1 -29 10 11 o 52.88947 0.6919677 27.97595       0.7312097 28.92600       1.063786  27.12505       1.006744  1.697838       1.383935  
1 1 1 -29 10 12 o 88.19911 1.080998  78.36731       1.899450  74.12685       2.762281  82.17089       2.616129  -4.578972      2.161996  
1 1 1 -29 10 13 o 24.42974 0.5633734 5.972184       0.2752035 6.134867       0.3934191 5.816302       0.3851071 0.6514435      1.126747  
1 1 1 -29 10 14 o 68.44586 0.8225170 46.58009       1.119785  43.56647       1.491558  50.47248       1.695133  -5.024796      1.645034  
1 1 1 -29 10 15 o 24.64415 0.5826318 6.080543       0.2871593 6.134032       0.4058658 6.026927       0.4063438 0.2173347      1.165264  
1 1 1 -29 10 16 o 67.44807 0.8146278 45.57588       1.098611  46.45332       1.576015  44.74649       1.532250  1.260971       1.629256  
1 1 1 -29 10 17 o 31.79271 0.5897548 10.11998       0.3749928 10.10979       0.5315892 10.13007       0.5290596 -0.3207016E-01 1.179510  
1 1 1 -29 10 18 o 20.69810 0.6220535 4.245471       0.2554076 5.094740       0.3812749 3.554155       0.3439967 3.718706       1.244107  
1 1 1 -29 10 19 o 34.99732 0.6061460 12.26292       0.4242426 12.36162       0.6041486 12.16691       0.5958761 0.2775497      1.212292  
1 1 1 -29 10 20 o 21.63370 0.6218446 4.686511       0.2689984 4.819191       0.3820084 4.556012       0.3788537 0.6080151      1.243689  
1 1 1 -29 10 21 o 31.10775 0.6113188 9.633652       0.3789107 8.568034       0.5159540 10.88121       0.5582649 -3.714663      1.222638  
1 1 1 -29 10 22 o 34.50922 0.6167513 11.91997       0.4255696 12.23813       0.6095089 11.61732       0.5944655 0.8982544      1.233503  
1 1 1 -29 10 23 o 40.29401 0.6417810 16.26177       0.5171804 16.11375       0.7316932 16.40957       0.7311144 -0.3671265     1.283562  
1 1 1 -29 10 24 o 13.18583 0.8768811 1.739555       0.2309386 1.865247       0.3354996 1.626374       0.3183665 0.9037666      1.753762  
1 1 1 -29 10 25 o 83.09278 0.9645647 69.28722       1.602893  69.67121       2.280059  68.91199       2.253834  0.4534149      1.929129  
1 1 1 -29 10 26 o 43.68809 0.6719183 19.12085       0.5869691 19.07208       0.8383089 19.16776       0.8221270 -0.1109924     1.343837  
1 1 1 -29 10 27 o 84.49831 0.9804220 71.66708       1.656815  71.25258       2.330554  72.09063       2.355830  -0.4924316     1.960844  
1 1 1 -29 10 28 f 25.69957 0.6698835 6.614324       0.3433852 5.975872       0.4788631 7.290126       0.4926712 -2.555634      1.339767  
1 1 1 -29 10 29 o 47.99509 0.7056450 23.08115       0.6772991 22.68543       0.9540113 23.48330       0.9617264 -0.8304062     1.411290  
1 1 1 -29 10 30 o 25.52769 0.6783160 6.487606       0.3451933 7.197839       0.5113364 5.892901       0.4679038 2.551605       1.356632  
1 1 1 -29 10 31 o 59.42045 0.7781259 35.36452       0.9240121 36.23515       1.338935  34.57286       1.276781  1.391460       1.556252  
1 1 1 -29 10 32 f 41.76077 0.6834797 17.47400       0.5707123 17.57486       0.8172289 17.37799       0.7973562 0.2335510      1.366959  
1 1 1 -29 10 33 o 25.43841 0.6981808 6.454298       0.3542526 6.933045       0.5250351 6.054208       0.4799700 1.722075       1.396362  
1 1 1 -29 10 34 o 13.67543 0.9898856 1.882291       0.2701913 1.820423       0.3907517 1.938972       0.3740138 -0.4363346     1.979771  
1 1 1 -29 10 35 o 9.118652 1.606781  0.8781514      0.2876821 0.9009745      0.3693871 0.8429677      0.4586324 0.2893867      3.213563  
1 1 1 -29 10 36 o 25.16224 0.8030969 6.269199       0.3998778 5.821556       0.5219368 6.905367       0.6222121 -2.139381      1.606194  
1 1 1 -29 10 37 o 22.85261 0.8471642 5.144058       0.3823211 4.662582       0.4951664 5.854788       0.6016130 -2.592081      1.694328  
1 1 1 -29 10 38 o 16.55672 1.522468  2.758730       0.4498618 2.812764       0.8613672 2.738464       0.5275218 0.1301689      3.044936  
1 1 1 -29 10 39 o 39.57011 0.7157267 15.70086       0.5663876 15.94667       0.8060244 15.46110       0.7960546 0.6121292      1.431453  
1 1 1 -29 10 40 o 5.512556 1.526958  0.3315559E-01  0.2773658 -0.3616129     0.3889270 0.4417289      0.3956688 -2.768775      3.053916  
1 1 1 -29 10 41 f 9.379019 1.568600  0.9257612      0.2920761 0.7241042      0.4063662 1.141271       0.4200917 -2.111691      3.137200  
1 1 1 -29 10 42 o 58.43526 0.8181317 34.27898       0.9558135 34.68991       1.373315  33.89293       1.331121  0.6742821      1.636263  
1 1 1 -29 10 43 o 5.685539 1.570815  -0.4900035E-01 0.2973292 0.5286438      0.4512442 -0.4922208     0.3952678 3.552213       3.141629  
1 1 1 -29 10 44 o 40.82034 0.8560686 16.53481       0.6725768 17.50133       1.129114  16.00327       0.8373393 1.777027       1.712137  
1 1 1 -29 10 45 f 9.288725 1.884404  0.8894223      0.3811748 1.210787       0.5446063 0.5808178      0.5336848 2.762653       3.768808  
1 1 1 -29 10 46 o 20.14160 1.126459  4.108499       0.4517044 4.507979       0.6342769 3.697401       0.6434343 2.014738       2.252919  
1 1 1 -29 10 47 f 7.118403 2.783195  0.000000       0.000000  ?              ?         0.3264370      0.5739653 ?              ?         
1 1 1 -29 11 1  o 42.24093 1.034598  17.82536       0.8714705 16.75234       1.178404  19.12057       1.294676  -2.786793      2.069195  
1 1 1 -29 11 2  o 39.05231 1.024986  15.26110       0.7989977 16.63003       1.165954  14.04908       1.097094  3.294880       2.049972  
1 1 1 -29 11 3  o 20.69149 1.239556  4.306068       0.5129248 4.269721       0.7199129 4.343541       0.7309844 -0.1765270     2.479112  
1 1 1 -29 11 4  o 19.05908 1.274741  3.654743       0.4858879 3.608540       0.6848192 3.701580       0.6895031 -0.2432804     2.549482  
1 1 1 -29 11 5  o 24.75417 1.119581  6.148698       0.5538056 6.517220       0.7979407 5.806205       0.7692460 1.431879       2.239161  
1 1 1 -29 11 6  o 36.22747 1.035202  13.18102       0.7497583 13.37216       1.050589  12.98264       1.070323  0.5402908      2.070404  
1 1 1 -29 11 7  o 44.29516 1.040463  19.70760       0.9212019 20.00010       1.286777  19.40007       1.319387  0.6817322      2.080926  
1 1 1 -29 11 8  o 30.93330 1.053949  9.609422       0.6518088 9.917386       0.9226660 9.302613       0.9209301 0.9934711      2.107898  
1 1 1 -29 11 9  o 35.04053 1.015352  12.27015       0.7098491 13.48007       1.041445  11.22033       0.9701040 3.215176       2.030703  
1 1 1 -29 11 10 f 40.14084 1.013803  16.16550       0.8137168 16.58214       1.164788  15.76834       1.137245  1.010117       2.027606  
1 1 1 -29 11 11 o 49.86196 1.056378  24.93176       1.052242  24.37127       1.447470  25.55990       1.532343  -1.180519      2.112756  
1 1 1 -29 11 12 o 20.60587 0.5217183 4.236996       0.2146201 4.469548       0.3153409 4.036319       0.2929336 1.049742       1.043437  
1 1 1 -29 11 13 f 37.50878 0.5881530 14.05024       0.4405467 14.74368       0.6451831 13.44450       0.6030073 1.728672       1.176306  
1 1 1 -29 11 14 f 10.36425 0.8008055 1.086559       0.1642319 0.9914380      0.2439854 1.165363       0.2220756 -0.8412800     1.601611  
1 1 1 -29 11 15 o 48.52334 0.6696838 23.42545       0.6471209 25.26858       0.9716962 21.95648       0.8674796 3.403942       1.339368  
1 1 1 -29 11 16 o 10.31279 0.9652904 1.130210       0.1839539 0.7759837      0.2699618 1.437244       0.2513359 -3.327413      1.930581  
1 1 1 -29 11 17 o 46.91219 0.6623842 21.89475       0.6190508 23.74003       0.9269280 20.40904       0.8317289 3.542038       1.324768  
1 1 1 -29 11 18 o 56.18736 0.7273831 31.57409       0.8164669 30.45495       1.122404  32.83181       1.189864  -2.108681      1.454766  
1 1 1 -29 11 19 o 48.03913 0.6758491 23.05095       0.6483504 24.36282       0.9493158 21.90410       0.8876039 2.553551       1.351698  
1 1 1 -29 11 20 o 50.06030 0.6918007 25.09492       0.6924472 24.65602       0.9656086 25.55956       0.9935245 -0.8998642     1.383601  
1 1 1 -29 11 21 o 30.44326 0.6091485 9.264047       0.3705099 9.847301       0.5363231 8.731557       0.5124519 1.830536       1.218297  
1 1 1 -29 11 22 o 65.71157 0.8134493 43.26266       1.068637  42.36148       1.485902  44.22815       1.538006  -1.414597      1.626899  
1 1 1 -29 11 23 o 39.67459 0.6465287 15.76162       0.5129115 15.97976       0.7343996 15.55390       0.7166586 0.5351372      1.293057  
1 1 1 -29 11 24 o 33.70592 0.6339740 11.29242       0.4257463 12.51848       0.6353615 10.29326       0.5735624 3.295528       1.267948  
1 1 1 -29 11 25 o 63.26655 0.8001300 40.08799       1.011786  41.23416       1.463147  39.03763       1.400660  1.728909       1.600260  
1 1 1 -29 11 26 o 35.90987 0.6541249 12.88807       0.4690374 13.42207       0.6874096 12.42288       0.6415957 1.386932       1.308250  
1 1 1 -29 11 27 o 71.68517 0.8713853 51.42903       1.247402  49.48035       1.707474  53.65946       1.826746  -2.899742      1.742771  
1 1 1 -29 11 28 o 29.46407 0.6532958 8.694948       0.3845288 8.137763       0.5386263 9.274094       0.5491377 -1.927326      1.306592  
1 1 1 -29 11 29 o 38.78380 0.6652155 15.02348       0.5150526 13.86344       0.7081122 16.32665       0.7505255 -3.171364      1.330431  
1 1 1 -29 11 30 f 54.32353 0.7429690 29.54934       0.8066234 30.41530       1.168350  28.76067       1.114995  1.516758       1.485938  
1 1 1 -29 11 31 o 16.53847 0.8263413 2.750537       0.2725977 2.547307       0.3884501 2.947731       0.3826385 -1.211370      1.652683  
1 1 1 -29 11 32 o 41.02281 0.6817418 16.83188       0.5584449 17.45935       0.8181726 16.28458       0.7641162 1.425507       1.363484  
1 1 1 -29 11 33 o 45.78751 0.7027201 20.99343       0.6428769 21.50754       0.9342604 20.53109       0.8859895 1.060318       1.405440  
1 1 1 -29 11 34 o 31.70261 0.6862562 10.01355       0.4333294 10.72635       0.6497335 9.442493       0.5815589 2.016594       1.372512  
1 1 1 -29 11 35 o 44.28858 0.7115543 19.66758       0.6299819 19.56571       0.9035312 19.76396       0.8788396 -0.2269440     1.423109  
1 1 1 -29 11 36 o 5.611508 1.508045  0.1669932      0.2496275 -0.7309292E-01 0.3517475 0.4106036      0.3543198 -2.000643      3.016091  
1 1 1 -29 11 37 o 18.39617 0.9287097 3.417503       0.3345376 3.311444       0.5255597 3.489748       0.4337618 -0.5008869     1.857419  
1 1 1 -29 11 38 o 29.32592 0.8671943 8.491484       0.5038101 9.731983       0.7807913 7.606550       0.6594661 3.602867       1.734389  
1 1 1 -29 11 39 o 6.740247 1.777907  0.3482628      0.3240258 0.4398446      0.4583136 0.2567384      0.4581698 0.7297144      3.555814  
1 1 1 -29 11 40 o 16.84952 1.148517  2.865064       0.3842950 3.321534       0.5523777 2.436880       0.5349897 2.620801       2.297034  
1 1 1 -29 11 41 o 33.12447 0.9096193 11.00835       0.6018879 11.44633       0.8779340 10.61994       0.8267646 1.237080       1.819239  
1 1 1 -29 11 42 o 16.67247 1.193426  2.815120       0.3953571 2.440930       0.5576679 3.193232       0.5605823 -2.255351      2.386852  
1 1 1 -29 11 43 o 21.26053 1.044763  4.560184       0.4413557 5.236704       0.6318970 3.915766       0.6167221 3.102886       2.089525  
1 1 1 -29 11 44 o 7.833710 1.869657  0.5849539      0.3476587 0.5146295      0.4748826 0.6661783      0.5103596 -0.7462907     3.739315  
1 1 1 -29 11 45 o 38.04702 0.9465519 14.56121       0.7199222 13.93778       1.008170  15.20988       1.028378  -1.666985      1.893104  
1 1 1 -29 11 46 o 9.204748 2.730282  0.000000       0.000000  ?              ?         0.8826144      0.5382610 ?              ?         
1 1 1 -29 12 1  o 44.18618 1.067613  19.57413       0.9421069 21.11349       1.364305  18.17102       1.302522  3.320141       2.135226  
1 1 1 -29 12 2  o 48.31873 1.072883  23.46280       1.036358  23.81990       1.451601  23.09156       1.480076  0.7579918      2.145766  
1 1 1 -29 12 3  o 21.06011 1.262874  4.452663       0.5302106 3.974508       0.7322415 4.979690       0.7687521 -2.380075      2.525749  
1 1 1 -29 12 4  o 24.34409 1.154380  5.942485       0.5606978 5.760394       0.7624369 6.156950       0.8274385 -0.8041840     2.308760  
1 1 1 -29 12 5  f 43.91858 1.041007  19.36340       0.9140837 19.16310       1.273676  19.57615       1.312623  -0.4647102     2.082014  
1 1 1 -29 12 6  o 63.97336 1.192274  41.15087       1.525288  41.23312       2.141559  41.06620       2.172951  0.1355515      2.384549  
1 1 1 -29 12 7  o 15.27210 1.531098  2.353611       0.4675841 2.335765       0.6657872 2.370980       0.6568313 -0.1171532     3.062196  
1 1 1 -29 12 8  o 52.27948 1.083476  27.45478       1.132813  27.51624       1.594982  27.39222       1.609192  0.1207008      2.166953  
1 1 1 -29 12 9  f 47.93685 1.062285  22.93994       1.015335  25.36859       1.502023  20.89639       1.377806  4.646885       2.124570  
1 1 1 -29 12 10 o 43.64741 1.032360  19.09900       0.9002703 18.51262       1.239369  19.75404       1.309906  -1.412300      2.064720  
1 1 1 -29 12 11 o 44.72169 1.041919  20.06267       0.9313958 21.00060       1.339809  19.18550       1.295685  2.023155       2.083838  
1 1 1 -29 12 12 o 31.66500 1.047964  10.06711       0.6633308 9.629885       0.9315112 10.51692       0.9448130 -1.398783      2.095927  
1 1 1 -29 12 13 o 27.12380 1.082761  7.384105       0.5870925 7.211811       0.8150321 7.569919       0.8464044 -0.6555710     2.165522  
1 1 1 -29 12 14 o 55.48663 0.7156120 30.72956       0.7923222 32.58859       1.169940  29.15456       1.076863  3.085510       1.431224  
1 1 1 -29 12 15 o 6.775132 1.046073  0.4244100      0.1489810 0.8291095      0.2364714 0.1580536      0.1918421 4.631539       2.092146  
1 1 1 -29 12 16 o 68.76933 0.8308738 47.30889       1.141015  49.30992       1.671111  45.56125       1.561717  2.713249       1.661748  
1 1 1 -29 12 17 o 33.89087 0.6027380 11.47318       0.4079638 12.04391       0.5967525 10.97238       0.5589927 1.577770       1.205476  
1 1 1 -29 12 18 f 64.10434 1.079644  41.45851       1.346385  42.08020       1.722437  40.48195       2.158754  1.310032       2.159288  
1 1 1 -29 12 19 o 84.34248 0.9724070 71.35419       1.639570  70.08433       2.277911  72.71928       2.361766  -1.550949      1.944814  
1 1 1 -29 12 20 o 37.65948 0.6272685 14.19656       0.4721593 14.40360       0.6817759 14.00573       0.6545256 0.5259056      1.254537  
1 1 1 -29 12 21 o 77.77991 0.9152063 60.53154       1.420836  58.26053       1.936506  63.17969       2.091120  -3.142693      1.830413  
1 1 1 -29 12 22 o 44.54236 0.6677035 19.80950       0.5938291 18.63713       0.8125757 21.15330       0.8699604 -2.819099      1.335407  
1 1 1 -29 12 23 o 48.87516 0.6941021 23.89400       0.6778647 22.98624       0.9345909 24.90162       0.9846585 -1.954494      1.388204  
1 1 1 -29 12 24 o 43.34425 0.6705472 18.81296       0.5811383 18.27074       0.8123512 19.38131       0.8316975 -1.279217      1.341094  
1 1 1 -29 12 25 o 13.28636 1.018521  1.864728       0.2550314 1.200707       0.3717894 2.454847       0.3504900 -4.722645      2.037041  
1 1 1 -29 12 26 o 72.69008 0.8817753 52.99383       1.281674  52.27415       1.791057  53.74914       1.834859  -1.008904      1.763551  
1 1 1 -29 12 27 o 22.19448 0.8251569 4.833179       0.3472519 5.272365       0.6064848 4.618978       0.4235505 1.449512       1.650314  
1 1 1 -29 12 28 o 66.33185 0.8292498 44.02647       1.098462  42.27671       1.503891  46.02757       1.608277  -2.813881      1.658500  
1 1 1 -29 12 29 o 16.71616 0.8172343 2.802013       0.2729758 2.823573       0.3951610 2.782334       0.3775342 0.1209984      1.634469  
1 1 1 -29 12 30 o 47.85134 0.7091665 22.86206       0.6773313 21.39835       0.9239550 24.56246       0.9958639 -3.297474      1.418333  
1 1 1 -29 12 31 o 15.43257 0.8704271 2.403526       0.2661244 2.016817       0.3750030 2.795868       0.3777252 -2.523638      1.740854  
1 1 1 -29 12 32 o 29.65285 0.7475153 8.569908       0.4300467 9.816330       0.7179716 7.872529       0.5370427 3.253738       1.495031  
1 1 1 -29 12 33 o 15.29981 1.048775  2.351862       0.3207921 2.424400       0.4615570 2.284079       0.4461713 0.4557199      2.097550  
1 1 1 -29 12 34 o 24.68983 0.8700342 6.084680       0.4282972 6.764914       0.6317409 5.506073       0.5826415 2.541636       1.740068  
1 1 1 -29 12 35 f 28.41366 0.8585569 8.078154       0.4870878 8.625277       0.7134435 7.600475       0.6666293 1.795860       1.717114  
1 1 1 -29 12 36 o 29.81491 0.8599664 8.925251       0.5127114 9.148582       0.7279227 8.705371       0.7222772 0.7423229      1.719933  
1 1 1 -29 12 37 o 8.727343 1.654084  0.7701110      0.3019350 0.5078390      0.4045852 1.099793       0.4536088 -2.974298      3.308168  
1 1 1 -29 12 38 o 54.18009 0.9066478 29.31827       0.9469827 28.84194       1.185749  30.15714       1.573549  -1.141769      1.813296  
1 1 1 -29 12 39 o 19.82066 0.8685870 3.943928       0.3427339 4.476995       0.4943632 3.450598       0.4755801 2.585596       1.737174  
1 1 1 -29 12 40 o 27.18370 0.7527428 7.410085       0.4089858 7.565233       0.5911727 7.267664       0.5664084 0.5432110      1.505486  
1 1 1 -29 12 41 o 32.76899 0.7291327 10.79208       0.4767973 9.991809       0.6756462 11.58597       0.6729484 -2.432865      1.458265  
1 1 1 -29 12 42 o 16.79939 1.120874  2.840893       0.3751985 3.194677       0.5425268 2.516569       0.5194471 2.012224       2.241749  
1 1 1 -29 12 43 o 36.41801 0.9319892 13.31874       0.6776459 13.74880       0.9936749 12.94483       0.9265178 1.088242       1.863978  
1 1 1 -29 12 44 o 6.925675 1.918503  0.2789600      0.3771357 0.4317730      0.6184319 0.1884838      0.4758596 1.433986       3.837006  
1 1 1 -29 12 45 o 47.73107 1.256031  23.22374       1.122769  22.47757       1.951642  23.59286       1.372669  -1.344074      2.512063  
1 1 1 -29 13 1  o 27.02513 1.150279  7.340003       0.6211035 7.808496       0.8890024 6.893265       0.8681160 1.689764       2.300557  
1 1 1 -29 13 2  f 29.69295 1.137548  8.874212       0.6745735 9.378110       0.9510828 8.364102       0.9569259 1.708460       2.275096  
1 1 1 -29 13 3  o 58.35342 1.155145  34.22512       1.347414  33.84143       1.870875  34.63862       1.942186  -0.6710434     2.310290  
1 1 1 -29 13 4  f 25.65558 1.159234  6.619231       0.5947308 6.734693       0.8399262 6.503135       0.8422313 0.4516716      2.318469  
1 1 1 -29 13 5  o 21.37919 1.256647  4.472773       0.5253218 3.334991       0.6877095 6.066759       0.8139877 -6.366310      2.513295  
1 1 1 -29 13 6  o 16.86254 1.460104  2.893253       0.4869411 2.428069       0.6943731 3.343382       0.6830440 -2.716367      2.920209  
1 1 1 -29 13 7  o 27.41228 1.119054  7.559946       0.6115350 8.332990       0.8710700 6.808628       0.8587440 2.778502       2.238109  
1 1 1 -29 13 8  o 7.311738 2.044369  0.2922182      0.4465528 0.1413666      0.6409022 0.4345497      0.6225401 -0.8124981     4.088737  
1 1 1 -29 13 9  o 34.08628 1.048119  11.61044       0.7126255 12.79833       1.048688  10.59128       0.9713578 3.226223       2.096239  
1 1 1 -29 13 10 o 33.80379 1.058756  11.42286       0.7135426 12.77470       1.046535  10.24850       0.9754173 3.726194       2.117511  
1 1 1 -29 13 11 o 39.80513 1.046773  15.85860       0.8317208 15.07101       1.133830  16.77610       1.223775  -2.128830      2.093546  
1 1 1 -29 13 12 f 10.67523 2.070147  1.189778       0.4583244 0.9999957      0.6392748 1.390502       0.6574441 -1.602510      4.140293  
1 1 1 -29 13 13 o 34.04012 1.077170  11.63120       0.7330130 12.11933       1.051430  11.16960       1.022451  1.390720       2.154339  
1 1 1 -29 13 14 o 8.658713 2.099236  0.7010474      0.4377182 0.6373692      0.6646648 0.7498139      0.5816599 -0.2060528     4.198471  
1 1 1 -29 13 15 o 34.45799 0.5783390 11.72399       0.3956297 13.34462       0.6056330 10.51760       0.5225302 4.095470       1.156678  
1 1 1 -29 13 16 o 22.25224 0.5726281 4.966348       0.2543276 4.626870       0.3610905 5.300550       0.3582730 -1.513960      1.145256  
1 1 1 -29 13 17 o 71.31111 0.8572953 50.98581       1.222487  51.81682       1.748629  50.19133       1.709743  1.135048       1.714591  
1 1 1 -29 13 18 o 73.69637 0.8774292 54.37481       1.291479  52.60588       1.770823  56.38479       1.887622  -2.549339      1.754858  
1 1 1 -29 13 19 f 32.96190 0.9373049 10.90937       0.5805721 10.92071       0.7089925 10.88626       1.011485  0.9220505E-01  1.874610  
1 1 1 -29 13 20 o 92.69598 1.053802  86.21387       1.951846  84.08118       2.691260  88.58045       2.835000  -2.404976      2.107603  
1 1 1 -29 13 21 o 26.35238 0.6203215 6.933724       0.3261780 7.262865       0.4815950 6.654789       0.4433457 1.150282       1.240643  
1 1 1 -29 13 22 o 57.26410 0.7497604 32.86152       0.8585708 32.49096       1.202211  33.24725       1.226560  -0.6576881     1.499521  
1 1 1 -29 13 23 o 19.50906 0.7020564 3.850649       0.2704850 3.174366       0.3847302 4.511637       0.3803546 -3.427752      1.404113  
1 1 1 -29 13 24 o 17.25876 0.7440592 2.983597       0.2555231 3.004979       0.3817153 2.966236       0.3439556 0.1080761      1.488118  
1 1 1 -29 13 25 o 59.35224 0.7774312 35.21672       0.9211236 33.72219       1.256631  36.95225       1.354161  -2.709526      1.554862  
1 1 1 -29 13 26 o 11.70664 1.071055  1.370592       0.2493965 1.440819       0.3763729 1.315619       0.3329967 0.5273809      2.142111  
1 1 1 -29 13 27 o 58.89110 0.7830271 34.78431       0.9221546 34.52274       1.311295  35.04025       1.297068  -0.4412231     1.566054  
1 1 1 -29 13 28 o 48.86333 0.8326581 24.14534       0.7895827 23.15047       1.267760  24.77581       1.009222  -1.699703      1.665316  
1 1 1 -29 13 29 o 57.67074 1.023484  33.41547       1.179722  33.86266       1.704159  33.00396       1.634761  0.7320404      2.046968  
1 1 1 -29 13 30 o 39.31057 0.8640904 15.48832       0.6777157 15.82011       0.9980761 15.20446       0.9231700 0.7716446      1.728181  
1 1 1 -29 13 31 o 34.77430 0.8479738 12.11966       0.5881480 12.34892       0.8677949 11.92488       0.7998831 0.5995407      1.695948  
1 1 1 -29 13 32 o 33.63976 0.8528086 11.37400       0.5720712 11.12935       0.8367710 11.58869       0.7838783 -0.6907845     1.705617  
1 1 1 -29 13 33 o 34.46604 0.7752802 11.99314       0.5305325 12.76667       0.7237408 11.09471       0.7799847 2.433495       1.550560  
1 1 1 -29 13 34 f 51.64497 0.7535993 26.72046       0.7776107 27.47431       1.130632  26.04379       1.071189  1.376354       1.507199  
1 1 1 -29 13 35 o 15.50276 1.009926  2.337167       0.3075297 2.876019       0.4948826 1.998177       0.3925186 2.810694       2.019853  
1 1 1 -29 13 36 o 47.53615 0.7373054 22.63944       0.7004008 21.41168       0.9734535 23.95722       1.008509  -2.672283      1.474611  
1 1 1 -29 13 37 o 19.27842 0.8886670 3.750104       0.3385152 3.626307       0.5158396 3.843744       0.4486312 -0.5766144     1.777334  
1 1 1 -29 13 38 o 34.76599 0.7334856 12.05792       0.5066247 12.71121       0.7696411 11.55840       0.6729961 1.642109       1.466971  
1 1 1 -29 13 39 o 47.87060 0.7595658 23.00736       0.7269292 22.48102       1.034120  23.52149       1.022052  -1.088776      1.519132  
1 1 1 -29 13 40 o 24.47198 0.8617806 6.003878       0.4083093 6.070653       0.6687013 5.964181       0.5155820 0.1878662      1.723561  
1 1 1 -29 13 41 o 19.07110 1.147423  3.587513       0.4311789 4.146116       0.6853224 3.221514       0.5547321 2.388613       2.294846  
1 1 1 -29 13 42 f 34.25095 0.9498655 11.83346       0.6466694 11.54627       0.9630858 12.06925       0.8726457 -0.7849693     1.899731  
1 1 1 -29 13 43 o 24.68454 1.027463  6.075503       0.5012074 6.531455       0.7817811 5.757315       0.6530821 1.535460       2.054925  
1 1 1 -29 13 44 o 29.55293 1.239395  8.915099       0.6591350 8.624164       1.228929  9.032592       0.7809691 -0.8245373     2.478790  
1 1 1 -29 14 1  o 47.20562 1.100047  22.35159       1.037196  23.93038       1.507689  20.93311       1.429098  3.160759       2.200095  
1 1 1 -29 14 2  o 54.21926 1.136990  29.53750       1.232331  30.76041       1.772616  28.39360       1.714399  2.172295       2.273980  
1 1 1 -29 14 3  o 52.34638 1.121087  27.37596       1.169930  29.94686       1.739489  25.25242       1.580917  4.456978       2.242174  
1 1 1 -29 14 4  f 34.52674 1.084695  11.95746       0.7479976 12.87012       1.081960  11.12192       1.035242  2.524097       2.169390  
1 1 1 -29 14 5  o 17.04800 1.628317  2.982313       0.5281096 3.877070       0.7707843 2.190624       0.7250329 5.126933       3.256634  
1 1 1 -29 14 6  o 13.52476 1.872957  1.911930       0.4879075 1.804912       0.6692032 2.033372       0.7128767 -0.8234072     3.745914  
1 1 1 -29 14 7  o 42.87098 1.069514  18.46749       0.9168661 18.53895       1.286265  18.39368       1.307280  0.1727142      2.139028  
1 1 1 -29 14 8  o 10.87232 2.116426  1.240754       0.4807203 0.9846163      0.6837178 1.491164       0.6760297 -2.006885      4.232852  
1 1 1 -29 14 9  o 36.99355 1.058177  13.74688       0.7828637 13.89896       1.114866  13.59895       1.099566  0.4031296      2.116354  
1 1 1 -29 14 10 o 31.93046 1.100115  10.24545       0.7024546 10.01813       0.9884614 10.47739       0.9984557 -0.7175579     2.200230  
1 1 1 -29 14 11 o 31.98750 1.089170  10.28205       0.6967943 10.24444       0.9846988 10.31977       0.9861345 -0.1175194     2.178340  
1 1 1 -29 14 12 o 28.97895 1.152561  8.444752       0.6678916 8.506850       0.9382569 8.380961       0.9509538 0.2193432      2.305122  
1 1 1 -29 14 13 o 9.598162 2.165753  0.9236687      0.4748455 0.7229128      0.7061937 1.089338       0.6415211 -1.272680      4.331507  
1 1 1 -29 14 14 o 42.78798 1.086518  18.37533       0.9290556 19.43000       1.337748  17.39269       1.291251  2.373333       2.173035  
1 1 1 -29 14 15 o 18.39682 1.441142  3.416083       0.5298178 3.541137       0.7449468 3.288079       0.7536804 0.6896152      2.882285  
1 1 1 -29 14 16 o 36.95428 1.080459  13.70345       0.7978905 14.49438       1.150638  12.97088       1.107379  2.054508       2.160918  
1 1 1 -29 14 17 o 40.19801 0.6212315 16.18400       0.4994350 16.08983       0.7035478 16.27965       0.7091004 -0.2356033     1.242463  
1 1 1 -29 14 18 f 34.48599 0.5994580 11.89799       0.4131542 12.22606       0.5984153 11.59917       0.5711167 0.9065170      1.198916  
1 1 1 -29 14 19 o 64.42883 0.8026390 41.61520       1.034151  41.17365       1.449622  42.07279       1.475750  -0.6946869     1.605278  
1 1 1 -29 14 20 o 30.03373 0.6108437 9.039609       0.3666539 8.667602       0.5195408 9.408728       0.5175191 -1.234007      1.221687  
1 1 1 -29 14 21 o 44.00061 0.6646184 19.35019       0.5841610 18.36121       0.8031116 20.46127       0.8512448 -2.381569      1.329237  
1 1 1 -29 14 22 f 30.87262 0.6214045 9.552654       0.3834086 9.376339       0.5496670 9.719730       0.5350710 -0.5575447     1.242809  
1 1 1 -29 14 23 f 36.53830 0.6432354 13.28489       0.4682535 14.43015       0.7006852 12.36065       0.6294490 2.824657       1.286471  
1 1 1 -29 14 24 f 15.62584 0.8406374 2.354196       0.2537475 2.815843       0.4309742 2.109251       0.3139289 2.244722       1.681275  
1 1 1 -29 14 25 o 42.16850 0.8441747 17.83094       0.7112907 18.10535       1.031556  17.58221       0.9820991 0.6131935      1.688349  
1 1 1 -29 14 26 o 44.49987 0.8816784 19.72408       0.7806170 21.36536       1.179522  18.44498       1.041276  3.260086       1.763357  
1 1 1 -29 14 27 f 7.720690 1.653294  0.5931343      0.2741242 0.7130990      0.4287176 0.5101684      0.3565286 1.173061       3.306589  
1 1 1 -29 14 28 f 42.88694 0.8773916 18.31991       0.7487108 19.86003       1.130908  17.11812       0.9989932 3.176258       1.754783  
1 1 1 -29 14 29 o 27.42994 0.7628056 7.564250       0.4171111 7.821237       0.5733998 7.275428       0.6078771 0.9995518      1.525611  
1 1 1 -29 14 30 o 29.83988 0.6926373 8.933786       0.4125203 8.790704       0.6002210 9.061874       0.5679032 -0.4583759     1.385275  
1 1 1 -29 14 31 o 11.52198 1.299173  1.457373       0.2731939 0.9713999      0.4198712 1.814167       0.3597648 -3.831770      2.598345  
1 1 1 -29 14 32 o 22.36707 0.7816093 5.060390       0.3461557 4.663866       0.5147749 5.387682       0.4676826 -1.625015      1.563219  
1 1 1 -29 14 33 o 22.64179 0.7935163 5.187584       0.3561162 4.711686       0.5239630 5.596152       0.4854839 -1.959162      1.587033  
1 1 1 -29 14 34 o 35.23246 0.7026534 12.43407       0.4941023 12.65482       0.7251047 12.24272       0.6751037 0.5778160      1.405307  
1 1 1 -29 14 35 o 35.27059 0.7107133 12.33690       0.4975826 13.60723       0.7627825 11.39593       0.6564945 3.119091       1.421427  
1 1 1 -29 14 36 o 15.66460 1.026679  2.489777       0.3158418 2.357935       0.4883603 2.584574       0.4141041 -0.7401991     2.053358  
1 1 1 -29 14 37 o 29.04165 0.7510642 8.512993       0.4336349 7.824152       0.6312091 9.128667       0.5967458 -2.251648      1.502128  
1 1 1 -29 14 38 o 24.24659 0.8678946 5.970038       0.4090630 5.623437       0.6504996 6.196753       0.5261048 -1.205969      1.735789  
1 1 1 -29 14 39 f 16.10652 1.394365  2.627393       0.4490834 2.571563       0.6354700 2.683094       0.6347304 -0.3464651     2.788729  
1 1 1 -29 14 40 f 10.89521 1.784034  1.249969       0.3760073 1.313319       0.5932086 1.207423       0.4861410 0.4201937      3.568068  
1 1 1 -29 14 41 o 33.82604 0.9395962 11.55161       0.6325130 10.23914       0.8946979 12.86297       0.8943191 -3.878519      1.879192  
1 1 1 -29 14 42 o 10.76071 1.813049  1.259981       0.3830718 1.029044       0.6003868 1.418547       0.4974948 -1.733756      3.626098  
1 1 1 -29 14 43 o 25.88159 1.414089  0.000000       0.000000  ?              ?         6.746161       0.7319774 ?              ?         
1 1 1 -29 15 1  o 65.31840 1.244655  42.94565       1.624409  41.97634       2.239347  44.02215       2.359915  -1.539688      2.489310  
1 1 1 -29 15 2  o 36.84200 1.113420  13.64028       0.8186754 14.92037       1.178719  12.44726       1.137922  3.348503       2.226841  
1 1 1 -29 15 3  o 33.28613 1.116212  11.14994       0.7426915 11.27171       1.036983  11.02169       1.064194  0.3807487      2.232423  
1 1 1 -29 15 4  o 19.20136 1.488372  3.722391       0.5647048 4.534029       0.8215084 2.995325       0.7775316 3.995926       2.976744  
1 1 1 -29 15 5  o 44.56177 1.093214  19.95941       0.9739920 20.69235       1.391476  19.25533       1.363807  1.607445       2.186428  
1 1 1 -29 15 6  o 30.62038 1.142171  9.426174       0.6992696 9.715296       1.002393  9.152095       0.9759693 0.9148064      2.284342  
1 1 1 -29 15 7  o 43.70322 1.091860  19.18582       0.9539431 19.94351       1.370216  18.47315       1.328892  1.675083       2.183721  
1 1 1 -29 15 8  o 66.19924 1.258086  44.10076       1.665160  45.45335       2.389342  42.82346       2.321890  1.973145       2.516172  
1 1 1 -29 15 9  o 63.50364 1.231523  40.52763       1.561876  39.43884       2.141494  41.76499       2.282936  -1.804691      2.463047  
1 1 1 -29 15 10 o 45.54330 1.116217  20.84286       1.015290  22.40502       1.454290  19.35753       1.418070  3.339531       2.232433  
1 1 1 -29 15 11 o 45.45106 1.103238  20.76711       1.002807  21.02112       1.417808  20.51284       1.418559  0.5592804      2.206477  
1 1 1 -29 15 12 o 10.17507 2.213641  1.049914       0.5029705 0.7868916      0.7158771 1.306326       0.7068245 -1.935318      4.427282  
1 1 1 -29 15 13 o 62.15131 1.217018  38.87609       1.512652  39.46637       2.139189  38.28580       2.139237  0.9497681      2.434035  
1 1 1 -29 15 14 o 49.92876 1.129667  25.07170       1.127770  25.64028       1.591543  24.49828       1.598295  1.144791       2.259334  
1 1 1 -29 15 15 f 38.34451 1.095257  14.75001       0.8374970 16.40202       1.212164  13.24114       1.158460  4.112682       2.190514  
1 1 1 -29 15 16 o 38.52966 1.109535  14.91489       0.8545839 14.28441       1.192543  15.58042       1.225248  -1.676216      2.219071  
1 1 1 -29 15 17 o 33.79581 1.132996  11.48459       0.7656783 11.78909       1.090077  11.18805       1.075731  0.8866768      2.265991  
1 1 1 -29 15 18 o 70.40887 0.8532068 49.59470       1.198996  47.64188       1.633289  51.87704       1.765717  -2.989540      1.706414  
1 1 1 -29 15 19 o 19.87273 0.6304683 3.979671       0.2487534 3.455472       0.3539579 4.491225       0.3496624 -2.606401      1.260937  
1 1 1 -29 15 20 o 61.21012 0.7860582 37.36448       0.9590598 35.08696       1.293060  40.14940       1.429865  -4.117455      1.572116  
1 1 1 -29 15 21 o 50.22157 0.8122386 25.27856       0.7895283 25.39433       1.292087  25.20958       0.9973919 0.1436653      1.624477  
1 1 1 -29 15 22 o 47.65118 0.8797674 22.68551       0.8364593 21.10755       1.137744  24.54167       1.233971  -3.588764      1.759535  
1 1 1 -29 15 23 o 33.97452 0.7668676 11.58935       0.5204737 11.17995       0.7451175 11.97944       0.7273268 -1.178997      1.533735  
1 1 1 -29 15 24 o 36.53776 0.7942241 13.38667       0.5795057 12.40405       0.8098776 14.41764       0.8295668 -2.752735      1.588448  
1 1 1 -29 15 25 o 30.06169 0.7047384 9.088211       0.4221672 9.875281       0.5928553 8.278550       0.6013035 2.656801       1.409477  
1 1 1 -29 15 26 o 50.17249 0.7270346 25.23544       0.7294481 24.66910       1.025322  25.81585       1.037985  -1.141178      1.454069  
1 1 1 -29 15 27 o 51.12589 0.7339941 25.96862       0.7465389 28.58696       1.129125  23.93511       0.9950674 4.531914       1.467988  
1 1 1 -29 15 28 o 24.93742 0.7172814 6.237815       0.3553875 6.211122       0.5334920 6.259111       0.4765090 -0.1035862     1.434563  
1 1 1 -29 15 29 o 29.08700 0.6875467 8.289183       0.3945362 9.678367       0.6239809 7.363872       0.5092546 3.963896       1.375093  
1 1 1 -29 15 30 o 17.15459 0.8886746 3.053899       0.2948093 2.388298       0.4432125 3.582081       0.3948179 -3.487527      1.777349  
1 1 1 -29 15 31 o 19.63519 0.8180879 3.897707       0.3173622 3.670259       0.4798233 4.074589       0.4231380 -1.038727      1.636176  
1 1 1 -29 15 32 o 23.73273 0.7501446 5.674067       0.3541232 5.377009       0.5203536 5.930333       0.4833076 -1.171272      1.500289  
1 1 1 -29 15 33 o 38.81041 0.7055208 15.11414       0.5470952 14.31586       0.7724534 15.91764       0.7749718 -2.063236      1.411042  
1 1 1 -29 15 34 o 20.95996 0.8340679 4.441541       0.3455427 4.199659       0.5222419 4.629889       0.4608400 -1.037523      1.668136  
1 1 1 -29 15 35 o 30.07144 0.7371911 9.124031       0.4409011 8.311934       0.6374510 9.868861       0.6104798 -2.593124      1.474382  
1 1 1 -29 15 36 o 42.79751 0.7786210 18.44337       0.6594656 17.96761       1.001078  18.80812       0.8765329 -1.003284      1.557242  
1 1 1 -29 15 37 o 5.702414 1.650393  0.7085205E-01  0.3190963 -0.3923690     0.5350146 0.3266093      0.3975442 -1.346703      3.300785  
1 1 1 -29 15 38 o 48.53969 0.9804144 23.70240       0.9509268 22.34314       1.330605  25.12131       1.359487  -2.855076      1.960829  
1 1 1 -29 15 39 o 24.42613 1.540626  6.016284       0.7526304 6.016284       0.7526304 ?              ?         ?              ?         
1 1 1 -29 15 40 o 7.645576 1.885838  0.5018250      0.3521906 0.7341263      0.5572380 0.3473051      0.4544720 1.895627       3.771676  
1 1 1 -29 15 41 o 36.83344 0.9346087 13.65298       0.6868286 12.43827       0.9620826 14.91550       0.9808336 -3.358471      1.869217  
1 1 1 -29 15 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 16 1  o 48.29699 1.144006  23.48201       1.104803  23.63688       1.549513  23.32187       1.575670  0.3314171      2.288012  
1 1 1 -29 16 2  o 47.43857 1.139003  22.59234       1.077559  21.93328       1.461006  23.37850       1.595683  -1.496170      2.278006  
1 1 1 -29 16 3  o 26.95305 1.247669  7.311919       0.6720654 7.090705       0.9286864 7.555150       0.9738062 -0.8516560     2.495337  
1 1 1 -29 16 4  f 24.34723 1.336517  5.970150       0.6495091 5.823956       0.8865812 6.139505       0.9542348 -0.6320839     2.673035  
1 1 1 -29 16 5  o 12.42327 2.185999  1.641815       0.5442954 1.908360       0.7722737 1.378726       0.7672506 1.980617       4.371999  
1 1 1 -29 16 6  o 14.30671 1.972566  2.178065       0.5475339 2.961012       0.7754423 1.399594       0.7732223 5.584085       3.945132  
1 1 1 -29 16 7  o 30.77683 1.176608  9.560872       0.7219324 10.37704       1.017031  8.731950       1.024949  2.674231       2.353216  
1 1 1 -29 16 8  o 6.810704 2.008872  -0.6994849E-01 0.4834788 -0.5412024     0.6616334 0.4700151      0.7082266 -2.627698      4.017744  
1 1 1 -29 16 9  o 11.58888 2.130356  1.395548       0.5241475 2.058581       0.7556687 0.7807909      0.7276384 4.777440       4.260711  
1 1 1 -29 16 10 f 48.51522 1.148647  23.55496       1.111090  21.99160       1.501125  25.44924       1.652379  -3.533478      2.297295  
1 1 1 -29 16 11 o 56.85950 1.193721  32.55704       1.357230  32.72306       1.903803  32.38547       1.935413  0.3033524      2.387443  
1 1 1 -29 16 12 o 34.86127 1.150998  12.22410       0.8022679 12.55942       1.151186  11.90747       1.118669  0.9286385      2.301995  
1 1 1 -29 16 13 o 40.54935 1.129809  16.52615       0.9157512 15.93030       1.270560  17.17029       1.321051  -1.519192      2.259618  
1 1 1 -29 16 14 o 23.81189 1.318767  5.717869       0.6276918 5.711332       0.8729483 5.724867       0.9032052 -0.2154922E-01 2.637535  
1 1 1 -29 16 15 f 77.07054 1.383438  59.70228       2.125649  56.97379       2.870923  63.01297       3.162416  -3.848198      2.766875  
1 1 1 -29 16 16 o 25.21060 1.239465  6.403736       0.6249529 6.406066       0.8834870 6.401403       0.8841470 0.9391785E-02  2.478930  
1 1 1 -29 16 17 o 27.34507 1.238248  7.551020       0.6727961 6.498063       0.9423493 8.645785       0.9608760 -3.923096      2.476496  
1 1 1 -29 16 18 o 6.924684 2.940596  0.000000       0.000000  ?              ?         0.3023708E-01  0.7101756 ?              ?         
1 1 1 -29 16 19 o 31.12379 0.6854636 9.700235       0.4262109 9.074852       0.5936198 10.36565       0.6123217 -2.071390      1.370927  
1 1 1 -29 16 20 o 15.20173 1.158907  2.318660       0.3523479 2.318660       0.3523479 ?              ?         ?              ?         
1 1 1 -29 16 21 o 14.89458 1.673408  2.233972       0.4984941 2.233972       0.4984941 ?              ?         ?              ?         
1 1 1 -29 16 22 o 56.15445 1.444458  32.06988       1.562912  32.67004       1.973617  31.06056       2.559432  1.580585       2.888915  
1 1 1 -29 16 23 o 48.83514 1.182777  24.01739       1.154999  24.60631       1.636012  23.43220       1.630831  1.201038       2.365554  
1 1 1 -29 16 24 o 53.12389 1.191840  28.27894       1.262664  26.54193       1.708378  30.37022       1.874516  -3.567860      2.383680  
1 1 1 -29 16 25 o 29.33649 1.267763  8.668168       0.7426333 8.002176       1.033489  9.379163       1.067837  -2.339006      2.535527  
1 1 1 -29 16 26 o 25.61403 1.096691  5.849030       0.4981524 8.304943       1.029080  5.097412       0.5693000 6.167295       2.193383  
1 1 1 -29 16 27 o 27.93564 1.010293  7.565804       0.4561400 8.331286       1.028753  7.378489       0.5088984 1.608870       2.020587  
1 1 1 -29 16 28 o 56.13711 1.023010  31.62011       1.030442  31.87074       1.952432  31.52334       1.213163  0.1648674      2.046021  
1 1 1 -29 16 29 o 21.61834 1.222536  4.870824       0.4042224 4.467109       0.9352370 4.963566       0.4482538 -1.257910      2.445072  
1 1 1 -29 16 30 o 70.62177 1.139364  49.27954       1.450335  52.47352       2.763348  48.06520       1.703877  2.883095       2.278727  
1 1 1 -29 16 31 o 31.41180 0.8058125 9.992068       0.4846919 9.596118       0.8038321 10.21827       0.6075669 -1.022951      1.611625  
1 1 1 -29 16 32 o 6.486938 1.746510  0.2582009      0.2841398 0.4733528      0.5520875 0.1806772      0.3314002 2.153459       3.493019  
1 1 1 -29 16 33 o 28.73640 0.8431313 8.309608       0.4597140 8.247393       0.7843308 8.342165       0.5673922 -0.2050419     1.686263  
1 1 1 -29 16 34 o 40.47675 0.9309924 16.40740       0.6786947 16.62202       1.279789  16.32342       0.8005370 0.2728004      1.861985  
1 1 1 -29 16 35 o 36.72636 1.122588  0.000000       0.000000  ?              ?         13.54261       0.8245713 ?              ?         
1 1 1 -29 16 36 o 22.69279 1.284878  0.000000       0.000000  ?              ?         5.177736       0.5831492 ?              ?         
1 1 1 -29 16 37 o 35.39481 1.767891  0.000000       0.000000  ?              ?         12.66401       1.251483  ?              ?         
1 1 1 -29 16 38 o 35.09453 1.843225  0.000000       0.000000  ?              ?         12.46537       1.293742  ?              ?         
1 1 1 -29 16 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 16 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 17 1  o 62.93890 1.252112  39.93185       1.575778  41.06439       2.253181  38.84763       2.204586  1.749424       2.504224  
1 1 1 -29 17 2  o 34.99345 1.176528  12.30910       0.8223886 11.83033       1.129042  12.85020       1.200292  -1.441566      2.353055  
1 1 1 -29 17 3  o 20.54714 1.503775  4.263773       0.6172033 3.981820       0.8547338 4.570976       0.8921847 -1.423349      3.007550  
1 1 1 -29 17 4  o 31.33023 1.206835  9.897565       0.7554860 10.16179       1.055229  9.619702       1.082116  0.8709831      2.413670  
1 1 1 -29 17 5  o 23.36586 1.362139  5.516670       0.6358517 5.747150       0.8928891 5.279525       0.9057080 1.003780       2.724279  
1 1 1 -29 17 6  o 22.69184 1.411607  5.272789       0.6266883 6.525465       0.8868958 4.023638       0.8856477 5.512306       2.823214  
1 1 1 -29 17 7  o 15.01735 1.945196  2.331220       0.5708499 2.094650       0.7900451 2.589653       0.8257451 -1.883559      3.890393  
1 1 1 -29 17 8  f 16.44553 1.830050  2.856315       0.5633811 3.869631       0.8053882 1.885378       0.7883669 6.245008       3.660100  
1 1 1 -29 17 9  o 21.50524 1.449929  4.670380       0.6185426 5.501436       0.8953896 3.911761       0.8554773 3.685871       2.899857  
1 1 1 -29 17 10 o 34.30012 1.163192  11.54648       0.7878129 9.692553       1.025850  14.21174       1.230003  -6.545815      2.326384  
1 1 1 -29 17 11 o 21.42912 1.461598  4.659046       0.6239106 4.986308       0.8671254 4.307759       0.8983906 1.591274       2.923197  
1 1 1 -29 17 12 o 18.27271 1.779551  3.489120       0.6058785 4.761757       0.8758605 2.321318       0.8390103 6.877645       3.559102  
1 1 1 -29 17 13 o 45.45248 1.162441  20.79048       1.056471  21.41084       1.509720  20.19519       1.478907  1.330959       2.324881  
1 1 1 -29 17 14 o 32.90592 1.223548  10.91143       0.8047378 10.43587       1.134933  11.39230       1.141235  -1.451923      2.447097  
1 1 1 -29 17 15 o 23.75565 1.983484  0.000000       0.000000  ?              ?         5.698746       0.9423791 ?              ?         
1 1 1 -29 17 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 17 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 17 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 17 19 o 9.997773 1.929757  0.7256681      0.1971024 0.6952990      0.2014727 1.402995       0.9514815 -3.349377      3.859513  
1 1 1 -29 17 20 o 29.54896 0.5957307 8.630584       0.3495653 9.791724       0.5342981 7.761599       0.4622184 3.427456       1.191461  
1 1 1 -29 17 21 f 11.72119 0.8281899 1.411695       0.1885216 1.213923       0.2915369 1.553827       0.2471479 -1.456527      1.656380  
1 1 1 -29 17 22 o 10.17895 2.318097  1.026652       0.5418672 1.267872       0.7822363 0.8041172      0.7513296 1.699271       4.636195  
1 1 1 -29 17 23 o 20.63105 0.6784204 4.283945       0.2786391 4.041362       0.4067363 4.498469       0.3824907 -1.110916      1.356841  
1 1 1 -29 17 24 o 53.80217 0.7442441 29.03367       0.8007800 29.10292       1.140015  28.96622       1.125081  0.1248856      1.488488  
1 1 1 -29 17 25 o 20.46362 0.7129090 4.227986       0.2890157 3.957727       0.4312821 4.448283       0.3893817 -1.204470      1.425818  
1 1 1 -29 17 26 o 38.57968 0.6732120 14.92013       0.5192840 14.41147       0.7299817 15.44124       0.7388556 -1.333416      1.346424  
1 1 1 -29 17 27 o 33.35098 0.6667424 11.11326       0.4436382 11.67017       0.6558753 10.64356       0.6023365 1.531937       1.333485  
1 1 1 -29 17 28 o 47.20282 0.7249538 22.34845       0.6842591 21.74195       0.9636298 22.96528       0.9717990 -1.294601      1.449908  
1 1 1 -29 17 29 o 56.57818 0.7807630 32.07008       0.8824150 33.34280       1.287205  30.94169       1.212031  2.109165       1.561526  
1 1 1 -29 17 30 o 21.44471 0.7767211 4.659055       0.3287593 4.310476       0.4959068 4.932380       0.4391259 -1.459805      1.553442  
1 1 1 -29 17 31 o 29.53375 0.7466927 8.522702       0.4298907 9.761708       0.7081029 7.799475       0.5409990 3.294399       1.493385  
1 1 1 -29 17 32 o 35.99291 0.7533807 13.05003       0.5350130 12.68905       0.8210151 13.31647       0.7053369 -0.8907967     1.506761  
1 1 1 -29 17 33 f 19.24107 0.9681634 3.590804       0.3633491 4.334828       0.6003950 3.160831       0.4564193 3.018980       1.936327  
1 1 1 -29 17 34 f 59.32523 1.057683  35.28703       1.249783  37.24793       1.871582  33.70895       1.678984  2.934906       2.115365  
1 1 1 -29 17 35 o 17.83974 1.069315  3.187599       0.3742110 3.310122       0.5947594 3.107313       0.4814493 0.5387306      2.138631  
1 1 1 -29 17 36 o 29.49952 0.8858484 8.718638       0.5172895 8.972175       0.7952024 8.532644       0.6810966 0.7195053      1.771697  
1 1 1 -29 17 37 o 37.55066 0.9045805 14.17422       0.6766456 14.24947       1.003835  14.11156       0.9160249 0.1641884      1.809161  
1 1 1 -29 17 38 o 29.54428 0.9278171 8.653640       0.5407656 9.534810       0.8520508 8.059314       0.6997589 2.462046       1.855634  
1 1 1 -29 17 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 18 1  o 46.50329 1.198715  21.68837       1.111058  20.48947       1.497458  23.15670       1.657205  -2.829231      2.397430  
1 1 1 -29 18 2  o 42.74072 1.188244  18.42092       1.015291  18.79420       1.425225  18.03631       1.446692  0.8917046      2.376489  
1 1 1 -29 18 3  o 23.99811 1.436676  5.749388       0.6848961 5.012783       0.9124249 6.700113       1.036591  -3.480078      2.873352  
1 1 1 -29 18 4  o 25.82981 1.401831  6.763626       0.7220880 7.212605       1.009302  6.292860       1.033501  1.787086       2.803663  
1 1 1 -29 18 5  o 34.40984 1.202618  11.94914       0.8263635 12.66722       1.166034  11.22457       1.171293  2.097511       2.405236  
1 1 1 -29 18 6  o 18.25765 1.711036  3.409106       0.6194838 2.934094       0.8823842 3.870786       0.8699136 -2.569300      3.422073  
1 1 1 -29 18 7  o 29.99243 1.261247  9.098021       0.7529885 10.13267       1.066794  8.070744       1.062989  3.436489       2.522494  
1 1 1 -29 18 8  o 18.84248 1.769610  3.639258       0.6538100 3.774213       0.8545977 3.448784       1.015279  0.9169788      3.539221  
1 1 1 -29 18 9  o 13.91273 2.147421  2.065806       0.5822514 2.406089       0.8213861 1.722118       0.8254848 2.416139       4.294843  
1 1 1 -29 18 10 o 29.10072 1.271539  8.538505       0.7397726 8.626112       1.063114  8.456260       1.030062  0.2839737      2.543079  
1 1 1 -29 18 11 o 18.31632 1.697890  3.435866       0.6114020 4.190028       0.8702511 2.700802       0.8591616 4.061846       3.395779  
1 1 1 -29 18 12 o 10.83366 2.269763  1.121655       0.5732039 0.4213682      0.7857967 1.918044       0.8379830 -5.156632      4.539526  
1 1 1 -29 18 13 o 23.59256 3.680137  0.000000       0.000000  ?              ?         5.764719       1.736477  ?              ?         
1 1 1 -29 18 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 18 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 18 16 o 11.84685 3.241846  1.489712       0.7901608 1.489712       0.7901608 ?              ?         ?              ?         
1 1 1 -29 18 17 o 8.058608 2.225323  0.3557470      0.5371289 0.7113574      0.7581303 -0.2662838E-02 0.7611086 1.965946       4.450647  
1 1 1 -29 18 18 f 14.27236 2.117974  2.162924       0.5862985 2.510650       0.8385703 1.830394       0.8200428 2.353146       4.235948  
1 1 1 -29 18 19 o 15.68948 1.938916  2.557899       0.5925474 2.280501       0.8363777 2.837444       0.8396086 -2.020831      3.877833  
1 1 1 -29 18 20 o 8.602789 0.8076981 0.7513353      0.1349217 0.7050873      0.2149626 0.7813974      0.1733113 -0.4500685     1.615396  
1 1 1 -29 18 21 o 27.81315 0.6026142 7.602413       0.3319224 8.955685       0.5139738 6.634254       0.4347323 4.163771       1.205228  
1 1 1 -29 18 22 f 33.08185 0.6273268 10.96279       0.4144706 10.17562       0.5788795 11.79078       0.5937014 -2.439302      1.254654  
1 1 1 -29 18 23 o 10.73199 1.022019  1.121097       0.2054129 1.680097       0.3270244 0.7568268      0.2639893 4.401196       2.044037  
1 1 1 -29 18 24 o 64.63503 0.8308647 41.88853       1.073097  40.71489       1.479932  43.18974       1.558275  -1.901218      1.661729  
1 1 1 -29 18 25 o 30.89642 0.6666813 9.503578       0.4081619 7.828937       0.5542495 11.48791       0.6033244 -5.914480      1.333363  
1 1 1 -29 18 26 o 65.88834 0.8465976 43.58372       1.115303  42.63238       1.554966  44.59167       1.600576  -1.478325      1.693195  
1 1 1 -29 18 27 o 73.98823 0.9167393 54.90553       1.354530  52.78847       1.854631  57.32578       1.982994  -3.039917      1.833479  
1 1 1 -29 18 28 o 61.51124 0.8753656 37.73200       1.059858  39.58937       1.669942  36.47923       1.371477  2.470360       1.750731  
1 1 1 -29 18 29 f 49.14451 0.7956808 23.96089       0.7678903 25.71387       1.224481  22.82464       0.9858311 2.897640       1.591362  
1 1 1 -29 18 30 o 50.64438 0.9084966 25.34006       0.8991342 27.81167       1.460991  23.83321       1.140753  3.862427       1.816993  
1 1 1 -29 18 31 o 29.23558 0.8457719 8.598002       0.4920345 8.474071       0.7307023 8.700815       0.6655376 -0.4004860     1.691544  
1 1 1 -29 18 32 o 62.96939 1.094210  39.93911       1.376626  40.65446       1.999509  39.29445       1.898130  1.053467       2.188420  
1 1 1 -29 18 33 o 40.11008 0.8813730 16.18160       0.7058359 16.08129       1.026866  16.27145       0.9718127 -0.2491341     1.762746  
1 1 1 -29 18 34 o 47.13626 0.9369987 22.18472       0.8774734 23.80205       1.335990  20.95774       1.163653  2.976505       1.873997  
1 1 1 -29 18 35 o 40.70670 0.8921553 16.56915       0.7218358 17.45870       1.093973  15.88322       0.9606350 1.906090       1.784311  
1 1 1 -29 18 36 o 30.49634 0.8852912 9.215743       0.5326231 10.15277       0.8391208 8.583489       0.6892777 2.539949       1.770582  
1 1 1 -29 18 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 19 1  o 56.19913 1.250430  31.81713       1.403045  30.63461       1.917089  33.18108       2.058905  -2.226013      2.500859  
1 1 1 -29 19 2  o 82.10696 1.482616  68.19289       2.429736  65.99297       3.312812  70.75397       3.574412  -2.812592      2.965231  
1 1 1 -29 19 3  o 24.35828 1.479960  5.971880       0.7170195 5.163664       0.9738389 6.928754       1.059621  -3.595304      2.959920  
1 1 1 -29 19 4  o 40.45034 1.226693  16.49799       0.9917396 16.15396       1.372649  16.87370       1.434455  -0.8733826     2.453387  
1 1 1 -29 19 5  o 16.56520 1.991433  2.856888       0.6375905 3.458263       0.9209200 2.303247       0.8836148 3.723350       3.982865  
1 1 1 -29 19 6  o 50.94865 1.218257  26.17432       1.240011  26.03655       1.712014  26.32636       1.798459  -0.2628059     2.436513  
1 1 1 -29 19 7  o 26.82975 1.367471  7.274355       0.7337129 7.192564       1.029238  7.358867       1.046224  -0.3052197     2.734943  
1 1 1 -29 19 8  o 20.81992 1.684472  4.303940       0.6677870 2.724044       0.8775660 6.477215       1.029255  -8.964014      3.368943  
1 1 1 -29 19 9  o 33.14141 1.255134  11.08441       0.8317231 11.28762       1.170926  10.87747       1.181615  0.6214714      2.510267  
1 1 1 -29 19 10 o 23.13893 2.092142  0.000000       0.000000  ?              ?         5.420403       0.9681985 ?              ?         
1 1 1 -29 19 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 19 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 19 13 o 32.13583 2.523771  10.51300       1.622069  10.51300       1.622069  ?              ?         ?              ?         
1 1 1 -29 19 14 o 47.28306 1.212083  22.51080       1.145265  21.77960       1.580636  23.31892       1.661700  -1.608120      2.424166  
1 1 1 -29 19 15 o 24.25052 1.400302  5.948038       0.6783654 5.587890       0.9546204 6.315417       0.9641579 -1.497353      2.800605  
1 1 1 -29 19 16 o 22.75226 1.465175  5.236271       0.6609747 4.363681       0.9136593 6.194395       0.9573924 -4.010380      2.930351  
1 1 1 -29 19 17 f 24.73606 1.381236  6.207583       0.6807979 5.774728       0.9810423 6.609667       0.9455268 -1.697569      2.762473  
1 1 1 -29 19 18 f 14.55664 2.010850  2.214926       0.5731514 1.906651       0.8087184 2.526023       0.8124109 -2.372694      4.021700  
1 1 1 -29 19 19 o 21.60989 1.554537  4.737843       0.6715521 4.666725       0.9598925 4.806024       0.9398606 -0.3287640     3.109074  
1 1 1 -29 19 20 o 22.37642 1.522403  5.077974       0.6811512 5.152578       0.9576825 5.001596       0.9690036 0.3410339      3.044806  
1 1 1 -29 19 21 o 10.26335 0.7309610 1.026615       0.1476434 1.235983       0.2358747 0.8917409      0.1893177 1.669604       1.461922  
1 1 1 -29 19 22 o 20.91328 0.6234894 4.405088       0.2593768 3.928004       0.3700908 4.865644       0.3636231 -2.242626      1.246979  
1 1 1 -29 19 23 o 26.50893 0.6308551 7.026405       0.3332315 7.251268       0.4961266 6.841579       0.4497938 0.7662010      1.261710  
1 1 1 -29 19 24 o 21.92371 0.6711063 4.847016       0.2920993 4.555533       0.4322686 5.091955       0.3962581 -1.228718      1.342213  
1 1 1 -29 19 25 f 18.71679 0.7366953 3.423764       0.2688374 3.916224       0.4425260 3.135701       0.3384520 2.068176       1.473391  
1 1 1 -29 19 26 o 40.13210 0.7624617 16.21470       0.5980441 15.92465       0.9482251 16.40629       0.7706474 -0.6299324     1.524923  
1 1 1 -29 19 27 o 43.89275 0.8325517 19.10279       0.7195085 20.72089       1.139249  18.02912       0.9280102 3.026501       1.665103  
1 1 1 -29 19 28 o 29.10880 0.7860816 8.516384       0.4560213 8.395985       0.6711731 8.619624       0.6215096 -0.3931580     1.572163  
1 1 1 -29 19 29 o 49.94627 0.9313315 24.70344       0.9198738 27.64529       1.437393  22.66290       1.197116  4.934532       1.862663  
1 1 1 -29 19 30 f 21.92303 0.8829198 4.807863       0.3807836 4.965747       0.5991322 4.700870       0.4932095 0.5810833      1.765840  
1 1 1 -29 19 31 o 41.65314 0.8766088 17.22716       0.7223473 18.88391       1.124706  16.06396       0.9424074 3.344650       1.753218  
1 1 1 -29 19 32 o 37.22899 0.8570645 13.92453       0.6361897 14.01513       0.9385591 13.84753       0.8653139 0.2095680      1.714129  
1 1 1 -29 19 33 o 29.85938 0.8514000 8.836765       0.5030657 9.793522       0.7831932 8.164770       0.6563744 2.700972       1.702800  
1 1 1 -29 19 34 o 42.70451 0.9117755 18.29735       0.7746295 18.79072       1.163132  17.90410       1.038427  1.009499       1.823551  
1 1 1 -29 20 1  o 58.26479 1.287296  34.23188       1.497025  33.12371       2.040836  35.52274       2.202636  -2.011002      2.574592  
1 1 1 -29 20 2  o 26.61261 1.437276  7.177381       0.7647368 7.252031       1.071265  7.099805       1.092036  0.2927418      2.874552  
1 1 1 -29 20 3  o 73.36789 1.397565  54.49237       2.050384  54.55830       2.874588  54.42408       2.925442  0.1073074      2.795129  
1 1 1 -29 20 4  f 40.56557 1.246935  16.55527       1.009008  15.82624       1.368237  17.42441       1.493942  -1.935207      2.493870  
1 1 1 -29 20 5  o 61.13087 1.291413  37.55233       1.572533  35.59627       2.112152  39.98505       2.355491  -3.520401      2.582825  
1 1 1 -29 20 6  o 30.98197 1.329387  9.702394       0.8236248 9.565185       1.153007  9.845354       1.176924  -0.4451294     2.658774  
1 1 1 -29 20 7  o 26.52363 1.439310  7.122926       0.7618406 7.777851       1.092511  6.503010       1.062909  2.393785       2.878619  
1 1 1 -29 20 8  o 40.75352 1.797054  0.000000       0.000000  ?              ?         16.77736       1.464726  ?              ?         
1 1 1 -29 20 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 20 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 20 11 o 27.12933 1.955102  7.448976       1.060812  7.448976       1.060812  ?              ?         ?              ?         
1 1 1 -29 20 12 o 26.13839 1.437294  6.884171       0.7411603 5.443768       1.008884  8.572949       1.092409  -5.959249      2.874587  
1 1 1 -29 20 13 f 17.93427 1.816164  3.296534       0.6485935 3.566179       0.9050377 3.011829       0.9299701 1.555590       3.632328  
1 1 1 -29 20 14 f 11.93295 2.183764  1.442534       0.5970011 0.3664619      0.8347461 2.569250       0.8541629 -7.337605      4.367527  
1 1 1 -29 20 15 o 50.86417 1.241128  26.08546       1.261438  25.26031       1.739269  27.00119       1.832244  -1.685524      2.482257  
1 1 1 -29 20 16 o 42.77596 1.229039  18.42850       1.050201  17.52780       1.443561  19.44121       1.530683  -2.212677      2.458079  
1 1 1 -29 20 17 o 21.86190 1.612584  4.860221       0.7036085 4.471148       0.9887336 5.259401       1.001495  -1.798241      3.225168  
1 1 1 -29 20 18 o 60.01602 1.288340  36.35701       1.544857  35.63525       2.129239  37.15928       2.244859  -1.236744      2.576681  
1 1 1 -29 20 19 f 20.58855 1.644402  4.295387       0.6685253 5.288223       0.9797019 3.430241       0.9145340 4.488813       3.288804  
1 1 1 -29 20 20 o 24.99170 1.976528  6.443691       0.8595441 6.300802       1.689659  6.493578       0.9983801 -0.6756134     3.953057  
1 1 1 -29 20 21 o 26.95266 1.909720  7.270314       0.9148069 7.787017       1.781568  7.085293       1.066085  1.005093       3.819439  
1 1 1 -29 20 22 f 4.549171 1.054727  0.1844497      0.1307634 -0.1138230     0.2275648 0.3314855      0.1597754 -2.161455      2.109454  
1 1 1 -29 20 23 o 23.19222 0.6788180 5.429011       0.3120876 5.093714       0.4647815 5.704314       0.4211535 -1.323101      1.357636  
1 1 1 -29 20 24 o 18.68948 0.7597685 3.543466       0.2800852 3.238345       0.4216447 3.784425       0.3746989 -1.469114      1.519537  
1 1 1 -29 20 25 o 33.51637 0.7650375 11.21948       0.5105128 9.817657       0.6974055 12.83784       0.7493370 -4.496185      1.530075  
1 1 1 -29 20 26 o 8.079382 1.325300  0.5590458      0.2259897 1.185670       0.3825905 0.2232524      0.2800702 5.503188       2.650600  
1 1 1 -29 20 27 o 44.95256 0.8692279 20.32331       0.7811505 19.75095       1.108645  20.88763       1.100824  -1.266010      1.738456  
1 1 1 -29 20 28 o 34.19975 0.7974322 11.64707       0.5415400 12.57721       0.8273258 10.94978       0.7163187 2.356964       1.594864  
1 1 1 -29 20 29 o 19.12761 0.8725296 3.672469       0.3282422 3.709045       0.5142173 3.647316       0.4264215 0.1425190      1.745059  
1 1 1 -29 20 30 o 15.54652 0.9983359 2.409760       0.3026736 2.539012       0.4909188 2.330498       0.3844356 0.6447477      1.996672  
1 1 1 -29 20 31 o 22.34236 0.8897889 4.945699       0.3893211 5.374252       0.6275179 4.677516       0.4964094 1.530155       1.779578  
1 1 1 -29 20 32 f 46.95862 1.865728  0.000000       0.000000  ?              ?         22.33156       1.752240  ?              ?         
1 1 1 -29 21 1  o 36.17767 1.800963  13.09441       1.288499  15.71654       2.006030  11.25285       1.681141  6.021305       3.601926  
1 1 1 -29 21 2  o 54.13896 1.512088  29.52563       1.562308  28.92947       1.930586  30.65682       2.659348  -1.321529      3.024176  
1 1 1 -29 21 3  f 45.10234 1.465965  20.43855       1.263690  19.95409       1.562938  21.35317       2.147493  -1.341778      2.931929  
1 1 1 -29 21 4  o 62.11641 1.567866  38.68995       1.835737  37.64354       2.234971  40.85976       3.218351  -2.220627      3.135733  
1 1 1 -29 21 5  o 49.67360 1.278280  24.91549       1.268827  24.26615       1.750615  25.63410       1.841629  -1.349312      2.556559  
1 1 1 -29 21 6  o 61.71881 1.893069  0.000000       0.000000  ?              ?         38.54487       2.336759  ?              ?         
1 1 1 -29 21 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 9  o 11.77602 3.570753  1.460340       0.9138637 1.460340       0.9138637 ?              ?         ?              ?         
1 1 1 -29 21 10 o 26.86011 1.458985  7.308233       0.7834004 7.501345       1.129340  7.129122       1.087628  0.6789665      2.917971  
1 1 1 -29 21 11 o 25.37445 1.825506  6.390372       0.8544025 7.065660       1.575543  6.109054       1.016915  1.654690       3.651012  
1 1 1 -29 21 12 o 19.83306 2.163686  3.836130       0.7936653 4.631885       1.481293  3.515704       0.9399720 2.547543       4.327372  
1 1 1 -29 21 13 o 13.25453 2.865179  1.663202       0.7477902 2.414524       1.488614  1.409618       0.8648269 3.374197       5.730359  
1 1 1 -29 21 14 o 19.64063 2.529403  0.000000       0.000000  ?              ?         3.937311       0.9935809 ?              ?         
1 1 1 -29 21 15 o 15.92907 4.908872  0.000000       0.000000  ?              ?         2.769519       1.717781  ?              ?         
1 1 1 -29 21 16 o 53.46013 3.067743  0.000000       0.000000  ?              ?         29.45601       3.280039  ?              ?         
1 1 1 -29 21 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 21 28 f 41.37356 1.659063  0.000000       0.000000  ?              ?         17.28606       1.372827  ?              ?         
1 1 1 -29 22 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 22 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -29 23 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 0  1  o 19.42533 0.8887546 3.826543       0.3419005 3.612703       0.4827573 4.041739       0.4842869 -0.000000      0.000000  
1 1 1 -28 0  2  o 109.4373 1.691741  120.2921       3.697709  121.9570       5.308656  118.7231       5.153497  -0.000000      0.000000  
1 1 1 -28 0  3  f 9.699304 1.611829  1.084656       0.2713852 1.089171       0.3830148 1.080105       0.3845831 -0.000000      0.000000  
1 1 1 -28 0  4  o 44.99345 0.8884170 20.29700       0.7977676 20.72461       1.148030  19.89770       1.109389  -0.000000      0.000000  
1 1 1 -28 0  5  o 80.18002 1.297572  64.50541       2.078337  64.50169       2.946651  64.50909       2.931831  -0.000000      0.000000  
1 1 1 -28 0  6  o 39.96154 0.8512749 16.01867       0.6787594 16.23916       0.9755578 15.81177       0.9449931 -0.000000      0.000000  
1 1 1 -28 0  7  o 3.839521 1.665046  0.9288947E-01  0.2448956 -0.4713489E-01 0.3298720 0.2648287      0.3655368 -0.000000      0.000000  
1 1 1 -28 0  8  o 61.40455 1.064073  37.79797       1.304528  38.43531       1.876664  37.20205       1.814660  -0.000000      0.000000  
1 1 1 -28 0  9  o 21.71379 0.8568690 4.762758       0.3695938 4.788062       0.5177990 4.736476       0.5277109 -0.000000      0.000000  
1 1 1 -28 0  10 o 18.63100 0.9144330 3.519722       0.3370854 3.435230       0.4645010 3.613722       0.4899368 -0.000000      0.000000  
1 1 1 -28 0  11 o 57.83004 1.028504  33.53946       1.187790  33.69809       1.692989  33.38568       1.666892  -0.000000      0.000000  
1 1 1 -28 0  12 o 20.39924 0.9084584 4.220552       0.3669280 4.460279       0.5157990 3.974943       0.5220872 -0.000000      0.000000  
1 1 1 -28 0  13 f 37.62924 0.8468848 14.21113       0.6358973 14.40305       0.9045002 14.02356       0.8941780 -0.000000      0.000000  
1 1 1 -28 0  14 o 9.063569 1.787778  1.041525       0.2863824 1.273960       0.3835462 0.7486640      0.4305241 -0.000000      0.000000  
1 1 1 -28 0  15 f 25.54939 0.8647614 6.536220       0.4383186 5.982208       0.5935113 7.200908       0.6500985 -0.000000      0.000000  
1 1 1 -28 0  16 f 71.85152 1.198473  51.78586       1.720072  51.51408       2.422326  52.06228       2.442903  -0.000000      0.000000  
1 1 1 -28 0  17 o 19.02275 0.9970004 3.715314       0.3704346 3.951556       0.4977666 3.422074       0.5545727 -0.000000      0.000000  
1 1 1 -28 0  18 o 37.52718 1.250966  14.14140       0.9366162 14.14140       0.9366162 14.14140       0.9366162 -0.000000      0.000000  
1 1 1 -28 0  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 0  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 0  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 0  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 0  23 o 67.43481 1.644040  45.62894       2.214386  45.62894       2.214386  45.62894       2.214386  -0.000000      0.000000  
1 1 1 -28 0  24 o 8.914737 2.005997  1.057789       0.3434111 1.429146       0.4722706 0.6411266      0.5002498 -0.000000      0.000000  
1 1 1 -28 0  25 o 42.33302 0.9296957 17.99144       0.7854232 17.91702       1.104130  18.06767       1.117503  -0.000000      0.000000  
1 1 1 -28 0  26 f 17.89606 1.152327  3.282294       0.4047297 3.227800       0.5491357 3.347101       0.5988369 -0.000000      0.000000  
1 1 1 -28 0  27 o 26.69302 0.9349347 7.195023       0.4958552 7.513204       0.6956975 6.866487       0.7069274 -0.000000      0.000000  
1 1 1 -28 0  28 o 28.58173 0.9437287 8.240911       0.5362517 8.683688       0.7568232 7.794487       0.7599352 -0.000000      0.000000  
1 1 1 -28 0  29 o 26.55915 0.9551026 7.102312       0.5032943 7.821984       0.7291715 6.447477       0.6955495 -0.000000      0.000000  
1 1 1 -28 0  30 o 5.749187 2.194002  0.4769189      0.3480181 0.5283916      0.4847885 0.4221865      0.4999034 -0.000000      0.000000  
1 1 1 -28 0  31 o 8.114496 2.305464  0.9151843      0.3610455 0.8694284      0.4869607 0.9710436      0.5380433 -0.000000      0.000000  
1 1 1 -28 0  32 o 38.40894 0.9462038 14.82231       0.7245911 14.66449       1.007395  14.99147       1.042985  -0.000000      0.000000  
1 1 1 -28 0  33 o 13.53530 1.570071  1.932585       0.3927686 1.693523       0.5279815 2.228811       0.5877267 -0.000000      0.000000  
1 1 1 -28 0  34 o 31.72348 1.263936  10.31347       0.7284691 10.50932       0.8750885 9.871428       1.314696  -0.000000      0.000000  
1 1 1 -28 0  35 o 8.592254 2.377766  1.024802       0.3913180 1.088103       0.5319184 0.9501288      0.5777304 -0.000000      0.000000  
1 1 1 -28 0  36 o 10.66273 2.107749  1.393913       0.3884221 1.507492       0.5281645 1.260128       0.5732211 -0.000000      0.000000  
1 1 1 -28 0  37 o 4.576777 2.018859  0.9959831E-01  0.3718624 -0.9950238E-01 0.5012105 0.3433947      0.5546224 -0.000000      0.000000  
1 1 1 -28 0  38 o 30.47687 0.9963812 9.364282       0.6044659 9.249376       0.8462889 9.483953       0.8636636 -0.000000      0.000000  
1 1 1 -28 0  39 o 62.37378 1.155747  39.06309       1.438755  39.91448       2.077485  38.27839       1.994465  -0.000000      0.000000  
1 1 1 -28 0  40 o 50.05235 1.043460  25.17444       1.042528  24.98784       1.468937  25.36382       1.479838  -0.000000      0.000000  
1 1 1 -28 0  41 o 64.50578 1.181291  41.79121       1.520589  42.70789       2.202090  40.95577       2.102256  -0.000000      0.000000  
1 1 1 -28 0  42 o 87.99039 1.460967  77.95065       2.567644  78.44432       3.659966  77.47221       3.603096  -0.000000      0.000000  
1 1 1 -28 0  43 o 40.13774 1.030773  16.21437       0.8250017 15.92208       1.159938  16.51360       1.173640  -0.000000      0.000000  
1 1 1 -28 0  44 o 37.93761 1.030173  14.46187       0.7781218 13.53427       1.073697  15.48797       1.129266  -0.000000      0.000000  
1 1 1 -28 0  45 o 17.30653 1.420205  3.110507       0.4777237 3.557995       0.7053808 2.731341       0.6493044 -0.000000      0.000000  
1 1 1 -28 0  46 o 10.00793 2.306572  1.347998       0.4353770 1.715899       0.5904956 0.9097645      0.6444712 -0.000000      0.000000  
1 1 1 -28 0  47 o 14.26465 1.959163  2.344298       0.4697569 3.126844       0.6671805 1.574954       0.6615287 -0.000000      0.000000  
1 1 1 -28 0  48 o 53.39495 1.115158  28.69345       1.188523  28.37148       1.670854  29.02322       1.690978  -0.000000      0.000000  
1 1 1 -28 0  49 o 4.715318 2.133342  0.8015276E-01  0.4390584 0.1833065      0.5908500 -0.4704610E-01 0.6561096 -0.000000      0.000000  
1 1 1 -28 0  50 o 3.458619 1.726435  -0.6436138     0.4422413 -0.9159582     0.6242413 -0.3691962     0.6266127 -0.000000      0.000000  
1 1 1 -28 0  51 o 17.47212 1.581790  3.165931       0.5457848 3.377850       0.7966675 2.978498       0.7492277 -0.000000      0.000000  
1 1 1 -28 0  52 o 24.34226 1.311845  6.058123       0.6309878 6.191128       0.9105272 5.935232       0.8752223 -0.000000      0.000000  
1 1 1 -28 0  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 1  1  o 23.90303 0.5770931 5.717937       0.2758770 5.734332       0.3919155 5.701835       0.3884061 0.6780815E-01  1.154186  
1 1 1 -28 1  2  f 59.50618 0.7325543 35.43800       0.8715702 36.09619       1.251394  34.81794       1.214602  1.071819       1.465109  
1 1 1 -28 1  3  o 12.42288 0.8002828 1.544492       0.1974684 1.799401       0.2855715 1.310929       0.2733539 1.965236       1.600566  
1 1 1 -28 1  4  o 35.52377 0.5814425 12.53377       0.4115414 11.37807       0.5550453 13.94490       0.6133236 -3.610168      1.162885  
1 1 1 -28 1  5  o 8.688013 1.093958  0.7779328      0.1830351 0.9861590      0.2621941 0.5799987      0.2556322 2.466358       2.187916  
1 1 1 -28 1  6  o 33.15099 0.5762631 10.96514       0.3814965 11.76530       0.5565053 10.25574       0.5239962 2.275410       1.152526  
1 1 1 -28 1  7  o 82.64747 0.9381467 68.37653       1.549835  69.95944       2.237892  66.91764       2.148438  1.834106       1.876293  
1 1 1 -28 1  8  o 46.70398 0.6416443 21.80427       0.5989550 22.59130       0.8662909 21.08347       0.8290371 1.612518       1.283289  
1 1 1 -28 1  9  f 28.96771 0.5807853 8.253699       0.3331828 10.04925       0.5074393 6.892963       0.4417453 5.445232       1.161571  
1 1 1 -28 1  10 o 70.60007 0.8294995 49.90303       1.171100  50.46450       1.672776  49.36328       1.640079  0.7779770      1.658999  
1 1 1 -28 1  11 f 35.57927 0.5898157 12.56405       0.4179841 11.39053       0.5623624 14.01259       0.6247917 -3.682213      1.179631  
1 1 1 -28 1  12 o 43.20909 0.6259859 18.68050       0.5408949 18.41542       0.7574959 18.95626       0.7726098 -0.6251717     1.251972  
1 1 1 -28 1  13 f 67.48217 0.8062922 45.58391       1.087982  44.95368       1.519930  46.24615       1.558056  -0.9554596     1.612584  
1 1 1 -28 1  14 o 49.82487 0.8231795 24.26133       0.7593028 26.42842       1.389249  23.33820       0.9067143 3.073196       1.646359  
1 1 1 -28 1  15 o 16.80792 0.9835094 2.892413       0.3222903 3.536980       0.4482344 2.202494       0.4637354 3.970873       1.967019  
1 1 1 -28 1  16 o 46.01975 0.9104942 21.02285       0.8339662 23.26592       1.256574  19.25703       1.114907  4.346283       1.820988  
1 1 1 -28 1  17 o 35.51519 0.8435906 12.63529       0.5989534 13.06409       0.8473520 12.20710       0.8467444 1.206478       1.687181  
1 1 1 -28 1  18 o 49.09029 0.8219686 24.39018       0.7690548 25.01425       0.9593051 23.26766       1.286572  1.798901       1.643937  
1 1 1 -28 1  19 o 57.96940 0.7902097 33.63247       0.9071710 33.52216       1.200791  33.77913       1.384625  -0.2104073     1.580419  
1 1 1 -28 1  20 o 33.21548 0.6151490 10.92699       0.4064610 12.51661       0.6103104 9.659934       0.5448831 4.297010       1.230298  
1 1 1 -28 1  21 o 87.39714 0.9916127 76.46109       1.731652  74.49089       2.387144  78.64931       2.515766  -2.368629      1.983225  
1 1 1 -28 1  22 o 67.38402 0.8827064 45.58056       1.179824  46.23243       1.577086  44.75205       1.777965  1.113167       1.765413  
1 1 1 -28 1  23 o 28.67040 0.7706564 8.042278       0.4167196 7.687896       0.5054694 8.794202       0.7362836 -1.914352      1.541313  
1 1 1 -28 1  24 o 77.20528 1.284338  59.84248       1.983010  60.36541       2.825261  59.33472       2.783993  0.6628723      2.568677  
1 1 1 -28 1  25 o 7.957471 1.588313  0.5723119      0.3333917 -0.2320160     0.5056295 1.190957       0.4434417 -5.472837      3.176627  
1 1 1 -28 1  26 o 55.83407 1.044766  31.25876       1.166418  31.56998       1.670150  30.96243       1.629720  0.5400696      2.089531  
1 1 1 -28 1  27 f 21.94652 1.029777  4.756056       0.4484798 5.571838       0.6845885 4.142731       0.5935925 3.246569       2.059553  
1 1 1 -28 1  28 o 78.50471 1.195238  61.57212       1.825998  63.23933       2.962416  60.55055       2.318897  1.633469       2.390477  
1 1 1 -28 1  29 o 93.07722 1.305376  85.50228       2.236016  91.07573       4.112950  83.16386       2.664111  4.054680       2.610753  
1 1 1 -28 1  30 o 18.63525 0.8687602 3.354704       0.3164084 4.576323       0.4992164 2.534455       0.4090665 5.470223       1.737520  
1 1 1 -28 1  31 f 44.62091 0.6843101 19.90445       0.6100398 20.68855       0.8881906 19.20424       0.8393342 1.659531       1.368620  
1 1 1 -28 1  32 o 51.02850 0.7199311 26.00265       0.7335296 24.65807       1.003048  27.54840       1.075469  -2.826050      1.439862  
1 1 1 -28 1  33 o 43.65916 0.8694169 19.27737       0.7456629 18.15031       1.150181  20.09451       0.9793513 -2.244301      1.738834  
1 1 1 -28 1  34 o 26.87920 0.7139757 7.234333       0.3836778 7.518371       0.5489253 6.963015       0.5364929 1.031939       1.427951  
1 1 1 -28 1  35 o 36.63544 0.6763694 13.44439       0.4955764 13.44654       0.7025207 13.44227       0.6991927 0.5527496E-02  1.352739  
1 1 1 -28 1  36 o 50.11575 0.7239706 24.97928       0.7226505 27.28615       1.083715  23.13218       0.9697239 4.133202       1.447941  
1 1 1 -28 1  37 o 48.79798 0.7196431 23.81077       0.7015047 22.86317       0.9637138 24.87875       1.023103  -2.059361      1.439286  
1 1 1 -28 1  38 o 63.58581 0.8177317 40.42392       1.038072  42.48021       1.524742  38.64732       1.417255  3.001358       1.635463  
1 1 1 -28 1  39 o 23.66617 0.7559898 5.571771       0.3563831 4.978166       0.4819070 6.288261       0.5294439 -2.762611      1.511980  
1 1 1 -28 1  40 f 24.24639 0.7643152 5.888112       0.3703294 6.237738       0.5318586 5.559085       0.5159532 1.397659       1.528630  
1 1 1 -28 1  41 o 71.42500 0.8870929 50.86755       1.261881  47.73320       1.692388  54.79175       1.893663  -4.911957      1.774186  
1 1 1 -28 1  42 o 67.39359 0.8579626 45.58163       1.156360  45.80389       1.645503  45.36477       1.625363  0.3227692      1.715925  
1 1 1 -28 1  43 o 54.28800 0.7701381 29.51337       0.8354820 28.43759       1.153114  30.70223       1.212199  -2.077740      1.540276  
1 1 1 -28 1  44 o 13.64773 1.158331  1.872401       0.3149718 1.656775       0.4362690 2.107156       0.4552093 -1.646103      2.316662  
1 1 1 -28 1  45 o 23.07137 0.8446959 5.344878       0.3891804 4.972421       0.5467883 5.727296       0.5540519 -1.634796      1.689392  
1 1 1 -28 1  46 o 18.57759 0.9644225 3.464891       0.3579293 3.705203       0.5154961 3.241185       0.4973675 1.245386       1.928845  
1 1 1 -28 1  47 o 9.037264 1.673333  0.8608524      0.3103173 1.055971       0.4374678 0.6632393      0.4402553 1.941567       3.346666  
1 1 1 -28 1  48 o 21.56598 0.9019309 4.679442       0.3883006 5.021031       0.5503612 4.340868       0.5479269 1.576448       1.803862  
1 1 1 -28 1  49 o 39.01823 0.7571296 15.22122       0.5897149 16.35833       0.8656979 14.23672       0.8055162 2.708607       1.514259  
1 1 1 -28 1  50 o 16.97984 1.118134  2.907415       0.3794759 2.776275       0.5344089 3.040788       0.5389397 -0.7777157     2.236268  
1 1 1 -28 1  51 o 34.14288 0.7945336 11.68036       0.5417575 12.58033       0.7871907 10.87052       0.7467311 2.495811       1.589067  
1 1 1 -28 1  52 o 49.35468 0.8725396 24.38584       0.8542773 23.73050       1.131296  25.25534       1.303100  -1.508240      1.745079  
1 1 1 -28 1  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 2  1  o 44.02150 0.6217669 19.36996       0.5469510 20.03350       0.7939247 18.77055       0.7545848 1.432400       1.243534  
1 1 1 -28 2  2  o 12.74454 0.7816647 1.626500       0.1992257 1.620995       0.2799220 1.632151       0.2836096 -0.4353046E-01 1.563329  
1 1 1 -28 2  3  o 29.16031 0.5653083 8.509888       0.3296588 8.538857       0.4634139 8.480209       0.4690532 0.1008224      1.130617  
1 1 1 -28 2  4  f 56.57565 0.7092718 32.01965       0.8021156 31.32921       1.112314  32.76769       1.157777  -1.268715      1.418544  
1 1 1 -28 2  5  o 15.32430 0.6886954 2.344060       0.2091703 1.936338       0.2870959 2.805346       0.3053723 -2.834420      1.377391  
1 1 1 -28 2  6  o 39.93903 0.5989113 15.94870       0.4781751 16.50558       0.6887572 15.43053       0.6643846 1.344761       1.197823  
1 1 1 -28 2  7  o 73.62023 0.8555174 54.22744       1.258755  55.67569       1.822811  52.90725       1.740347  1.874985       1.711035  
1 1 1 -28 2  8  o 85.88421 0.9679002 73.81223       1.660990  75.92406       2.412975  71.91040       2.289848  2.327972       1.935800  
1 1 1 -28 2  9  o 47.54268 0.6480986 22.62244       0.6162462 22.63118       0.8709403 22.61367       0.8720682 0.1847076E-01  1.296197  
1 1 1 -28 2  10 o 47.16424 0.6489303 22.25800       0.6120333 22.58129       0.8749242 21.94822       0.8564627 0.6702766      1.297861  
1 1 1 -28 2  11 f 20.81627 0.7169491 4.272155       0.2899393 4.606807       0.4774723 4.076676       0.3649238 1.267611       1.433898  
1 1 1 -28 2  12 o 86.18641 1.371011  74.47063       2.361067  72.54094       3.255470  76.61205       3.429424  -2.344803      2.742022  
1 1 1 -28 2  13 o 27.91815 0.8061237 7.802896       0.4497338 8.246388       0.6416722 7.374693       0.6305138 1.560520       1.612247  
1 1 1 -28 2  14 o 61.42326 0.9744281 37.18863       1.156003  35.55899       1.442630  40.11242       1.932336  -3.672451      1.948856  
1 1 1 -28 2  15 f 60.15321 0.8002841 36.34718       0.9594027 38.08133       1.323635  34.42764       1.392591  3.040970       1.600568  
1 1 1 -28 2  16 o 16.47575 0.7337584 2.725650       0.2393474 3.230956       0.3434355 2.248446       0.3337489 2.981171       1.467517  
1 1 1 -28 2  17 o 100.3425 1.110906  100.7879       2.226580  97.93886       3.057334  104.0056       3.249130  -3.007057      2.221813  
1 1 1 -28 2  18 o 58.52847 0.7429543 34.28599       0.8694962 34.80740       1.245356  33.79008       1.214530  0.8673286      1.485909  
1 1 1 -28 2  19 o 33.82941 0.6109136 11.37300       0.4118019 10.22230       0.5574461 12.75533       0.6109804 -3.741253      1.221827  
1 1 1 -28 2  20 o 61.73676 0.7674319 38.14940       0.9473269 37.48355       1.321335  38.85364       1.358900  -1.107285      1.534864  
1 1 1 -28 2  21 o 40.07960 0.6298301 15.98427       0.5032449 17.29569       0.7491631 14.90590       0.6793404 2.977684       1.259660  
1 1 1 -28 2  22 o 28.07522 0.6288086 7.874086       0.3521886 7.119735       0.4873195 8.698879       0.5095646 -2.811174      1.257617  
1 1 1 -28 2  23 f 25.25407 0.6352047 6.380065       0.3207163 6.527126       0.4611425 6.242294       0.4463422 0.5631256      1.270409  
1 1 1 -28 2  24 o 22.78245 0.6888341 5.168983       0.3125550 5.886218       0.4591824 4.549783       0.4266476 2.931065       1.377668  
1 1 1 -28 2  25 o 63.36334 0.7887911 40.20887       0.9995394 39.79307       1.403486  40.63681       1.423858  -0.6643295     1.577582  
1 1 1 -28 2  26 o 33.38492 0.6442757 10.82137       0.4236152 13.61634       0.6683255 8.944344       0.5476888 6.989706       1.288551  
1 1 1 -28 2  27 o 58.58230 0.7557297 34.37295       0.8854123 34.56222       1.258964  34.18771       1.245469  0.3186073      1.511459  
1 1 1 -28 2  28 o 31.39074 0.7164605 10.00998       0.4432325 11.48138       0.6111629 8.377453       0.6437573 4.946419       1.432921  
1 1 1 -28 2  29 o 42.32702 0.8266988 17.98082       0.6588597 18.03763       0.8065175 17.86683       1.142362  0.2304993      1.653398  
1 1 1 -28 2  30 o 37.92110 0.8237013 14.62831       0.5961976 15.18727       0.7476581 13.65218       0.9880236 2.044960       1.647403  
1 1 1 -28 2  31 o 53.25871 1.046943  28.46214       1.115152  28.28635       1.570762  28.64078       1.583442  -0.3312531     2.093886  
1 1 1 -28 2  32 f 20.78731 1.589009  0.000000       0.000000  ?              ?         4.339114       0.6606243 ?              ?         
1 1 1 -28 2  33 f 41.77122 0.9768483 17.46999       0.8152503 16.57552       1.124509  18.46100       1.183639  -2.249889      1.953697  
1 1 1 -28 2  34 o 32.61845 0.9746894 10.67313       0.6344940 9.754162       0.8863131 11.63916       0.9087266 -2.886698      1.949379  
1 1 1 -28 2  35 o 13.96161 1.608680  1.996613       0.4169416 3.115860       0.6292539 1.120645       0.5566819 7.275162       3.217361  
1 1 1 -28 2  36 o 48.58757 1.028931  23.66874       0.9989245 22.93710       1.376668  24.48232       1.451701  -1.579666      2.057863  
1 1 1 -28 2  37 o 30.53158 1.011227  9.359104       0.6174671 9.266653       0.8728155 9.451732       0.8736458 -0.3029785     2.022455  
1 1 1 -28 2  38 o 28.16069 0.9345706 7.882960       0.5141169 8.303276       0.8299507 7.621250       0.6548990 1.187426       1.869141  
1 1 1 -28 2  39 f 16.06909 1.430491  3.036197       0.3792430 1.721408       0.6399919 3.747728       0.4708078 -6.520585      2.860982  
1 1 1 -28 2  40 o 14.26217 1.512127  2.355628       0.3618121 1.495980       0.6331310 2.772506       0.4408974 -4.714320      3.024253  
1 1 1 -28 2  41 o 64.08669 1.024975  41.16481       1.228653  41.58120       2.166090  40.96729       1.491871  0.3661041      2.049950  
1 1 1 -28 2  42 o 26.76642 0.9609017 7.171020       0.4698571 7.261694       0.8650540 7.133076       0.5595979 0.1898937      1.921803  
1 1 1 -28 2  43 o 25.09742 0.9588349 6.266620       0.4503913 6.500655       0.7982336 6.157314       0.5455227 0.6418228      1.917670  
1 1 1 -28 2  44 o 28.59767 0.9546629 8.457602       0.5059335 7.549577       0.8775418 8.909695       0.6192027 -2.421055      1.909326  
1 1 1 -28 2  45 f 16.99367 1.085534  2.887166       0.3663609 3.061490       0.5580521 2.755125       0.4856797 0.8863869      2.171068  
1 1 1 -28 2  46 f 48.93600 0.8154521 24.14988       0.7942570 22.36128       1.151588  25.77264       1.096904  -3.494389      1.630904  
1 1 1 -28 2  47 o 24.39611 1.042093  5.605209       0.4637466 6.939681       0.8929991 5.112422       0.5426579 3.668114       2.084186  
1 1 1 -28 2  48 o 22.14219 1.220227  5.367380       0.4786068 3.969409       0.8439030 6.030227       0.5810981 -4.720221      2.440454  
1 1 1 -28 2  49 o 28.88936 1.015145  8.051967       0.5453808 9.345450       1.001884  7.507272       0.6501492 3.101948       2.030290  
1 1 1 -28 2  50 o 66.54916 1.086129  44.29455       1.352630  45.60922       2.392863  43.67719       1.639747  1.261047       2.172259  
1 1 1 -28 2  51 o 35.82608 0.9760053 13.22098       0.6657099 11.88319       1.096226  14.00257       0.8379061 -3.020126      1.952011  
1 1 1 -28 2  52 o 39.27515 1.624684  15.73336       1.273180  14.55632       1.804953  16.89898       1.796175  -2.985851      3.249369  
1 1 1 -28 3  1  o 49.83818 0.6598996 24.86483       0.6577587 24.88375       0.9285708 24.84578       0.9318604 0.3829193E-01  1.319799  
1 1 1 -28 3  2  o 61.39723 0.7484494 37.65543       0.9176459 39.35878       1.344021  36.16801       1.255946  2.592911       1.496899  
1 1 1 -28 3  3  o 7.960476 1.166279  0.6643292      0.1792152 0.7233270      0.2449619 0.5963830      0.2628833 0.8048410      2.332557  
1 1 1 -28 3  4  o 37.84306 0.5896207 14.33197       0.4462464 14.49640       0.6328897 14.16941       0.6293011 0.4318657      1.179241  
1 1 1 -28 3  5  o 19.54221 0.6064272 3.824427       0.2368742 3.943767       0.3331624 3.702432       0.3368494 0.6176529      1.212854  
1 1 1 -28 3  6  o 37.57796 0.5906380 14.12299       0.4437445 13.79386       0.6176740 14.47406       0.6379143 -0.9041214     1.181276  
1 1 1 -28 3  7  o 49.20074 0.6602451 24.22884       0.6496738 24.46761       0.9220803 23.99346       0.9155099 0.4815178      1.320490  
1 1 1 -28 3  8  o 20.67575 0.7074916 4.290789       0.2849685 4.228578       0.4564247 4.330532       0.3648086 -0.2513866     1.414983  
1 1 1 -28 3  9  o 83.56599 1.328492  69.75777       2.212427  66.37550       2.980535  73.90836       3.301754  -4.475510      2.656984  
1 1 1 -28 3  10 o 57.55490 1.001931  33.16490       1.152698  32.31108       1.598325  34.09030       1.663978  -1.540833      2.003861  
1 1 1 -28 3  11 f 89.56792 1.230121  79.74364       2.056872  78.46892       2.486223  82.50844       3.661552  -2.150810      2.460241  
1 1 1 -28 3  12 o 38.02435 0.6014583 14.45780       0.4572160 14.98292       0.6569982 13.96466       0.6366825 1.338066       1.202917  
1 1 1 -28 3  13 o 87.14850 0.9834162 75.78320       1.708607  72.36096       2.307754  79.93492       2.541844  -4.328575      1.966832  
1 1 1 -28 3  14 o 77.59511 0.8960089 60.29855       1.390271  59.70168       1.944383  60.92289       1.988644  -0.7839890     1.792018  
1 1 1 -28 3  15 o 59.22446 0.7412208 35.03777       0.8766391 33.76442       1.200176  36.49411       1.283527  -2.299931      1.482442  
1 1 1 -28 3  16 f 38.30022 0.6126194 14.61225       0.4681643 13.59414       0.6368543 15.80935       0.6905720 -2.889408      1.225239  
1 1 1 -28 3  17 f 35.25403 0.6068041 12.43796       0.4278048 12.67819       0.6071023 12.20102       0.6029341 0.6765594      1.213608  
1 1 1 -28 3  18 o 72.19131 0.8537647 51.57427       1.222199  47.68916       1.606268  56.91658       1.883563  -6.372246      1.707529  
1 1 1 -28 3  19 o 56.42138 0.7231827 31.86319       0.8159187 31.43245       1.141012  32.31393       1.167200  -0.7796326     1.446365  
1 1 1 -28 3  20 o 34.33779 0.6117155 11.79683       0.4199602 11.37621       0.5883528 12.23373       0.5996348 -1.248085      1.223431  
1 1 1 -28 3  21 o 29.13307 0.6141060 8.451607       0.3569025 9.208673       0.5269427 7.809946       0.4851200 2.398439       1.228212  
1 1 1 -28 3  22 f 31.30863 0.6153833 9.789580       0.3848715 10.26350       0.5613366 9.369157       0.5287084 1.426556       1.230767  
1 1 1 -28 3  23 o 30.19995 0.6315659 9.104319       0.3805425 8.254749       0.5245919 10.04790       0.5528564 -2.967247      1.263132  
1 1 1 -28 3  24 o 80.33356 0.9304340 64.62598       1.494083  63.20815       2.071638  66.16284       2.156842  -1.831879      1.860868  
1 1 1 -28 3  25 f 57.39750 0.7441584 32.91906       0.8529217 34.27469       1.249450  31.73608       1.167176  2.205673       1.488317  
1 1 1 -28 3  26 o 43.01981 0.6608828 18.52825       0.5685750 18.19791       0.8007292 18.86417       0.8074863 -0.7739220     1.321766  
1 1 1 -28 3  27 o 22.83998 0.6906305 5.221090       0.3151877 5.285562       0.4568585 5.162532       0.4354008 0.2678108      1.381261  
1 1 1 -28 3  28 f 65.67701 0.8122625 43.21874       1.066938  43.25271       1.510211  43.18489       1.507550  0.5140686E-01  1.624525  
1 1 1 -28 3  29 o 58.04065 0.7568517 33.61427       0.8765783 31.84900       1.191661  35.69572       1.293990  -3.305626      1.513703  
1 1 1 -28 3  30 o 69.83249 0.8514599 48.81576       1.188226  50.29411       1.723275  47.47587       1.640584  2.010185       1.702920  
1 1 1 -28 3  31 f 17.62051 0.8242082 3.107613       0.2899936 3.364825       0.4176948 2.868264       0.4029294 1.407661       1.648416  
1 1 1 -28 3  32 o 77.38226 0.9162739 60.00394       1.417321  61.36193       2.045107  58.74895       1.966020  1.679787       1.832548  
1 1 1 -28 3  33 o 24.48167 0.6956117 6.002518       0.3403608 5.702804       0.4774599 6.312181       0.4853222 -1.243883      1.391223  
1 1 1 -28 3  34 o 13.73398 1.018470  1.922151       0.2711237 2.509480       0.3882933 1.363371       0.3787390 4.171316       2.036940  
1 1 1 -28 3  35 o 64.28677 0.8151085 41.41049       1.047635  40.67739       1.457934  42.19315       1.506415  -1.173615      1.630217  
1 1 1 -28 3  36 o 37.00957 1.006417  13.71486       0.7437534 13.14173       1.017279  14.37305       1.090150  -1.653545      2.012833  
1 1 1 -28 3  37 f 41.92711 0.6906500 17.61206       0.5791345 17.55601       0.8197334 17.66791       0.8183081 -0.1335716     1.381300  
1 1 1 -28 3  38 o 24.02389 0.7560559 5.780396       0.3617242 5.083013       0.5021952 6.532308       0.5214591 -3.014252      1.512112  
1 1 1 -28 3  39 o 5.875802 1.624462  0.1818752      0.2892231 0.3685743      0.3808998 -0.7233589E-01 0.4444644 1.275551       3.248923  
1 1 1 -28 3  40 o 56.43890 0.8434384 32.02428       0.9433491 32.50267       1.257391  31.40829       1.426805  0.9916916      1.686877  
1 1 1 -28 3  41 f 16.50041 1.272750  2.880152       0.3867522 3.148286       0.4770091 2.365702       0.6607274 2.409268       2.545500  
1 1 1 -28 3  42 o 15.03312 1.305254  2.044469       0.3715793 1.524560       0.4483403 3.185030       0.6640543 -5.473071      2.610507  
1 1 1 -28 3  43 o 45.39513 0.9206837 20.52149       0.7742524 20.24116       0.9302648 21.15342       1.396718  -0.9301338     1.841367  
1 1 1 -28 3  44 f 17.12109 1.227177  2.815800       0.3986349 2.548629       0.4825221 3.390169       0.7074865 -2.407309      2.454353  
1 1 1 -28 3  45 o 27.22382 0.9766651 6.691706       0.4853858 5.741798       0.5645719 9.383458       0.9503771 -6.614801      1.953330  
1 1 1 -28 3  46 o 33.64518 0.9325508 11.47789       0.5872743 11.67352       0.7175649 11.08101       1.022038  0.9361458      1.865102  
1 1 1 -28 3  47 o 43.54045 0.9403055 18.95166       0.7631595 18.76322       0.9226683 19.35978       1.357882  -0.5980301     1.880611  
1 1 1 -28 3  48 o 37.22594 0.8289042 14.00554       0.6110884 14.65361       0.8207906 13.19958       0.9153386 1.970245       1.657808  
1 1 1 -28 3  49 o 14.72182 1.343968  2.149605       0.3918253 1.863133       0.5136579 2.548283       0.6059605 -2.298982      2.687937  
1 1 1 -28 3  50 o 24.68051 0.8829575 6.133629       0.4342061 6.789477       0.6173322 5.491504       0.6108395 2.628180       1.765915  
1 1 1 -28 3  51 o 44.05516 0.7888777 19.47526       0.6947345 20.15660       1.001559  18.84342       0.9644945 1.483025       1.577755  
1 1 1 -28 3  52 o 68.34648 2.652668  0.000000       0.000000  ?              ?         47.85557       3.626011  ?              ?         
1 1 1 -28 4  1  f 68.31400 0.8061325 46.69003       1.100594  48.11010       1.594274  45.39708       1.521242  1.980499       1.612265  
1 1 1 -28 4  2  o 42.15298 0.6064574 17.78441       0.5112222 17.77025       0.7174832 17.79902       0.7286000 -0.3354263E-01 1.212915  
1 1 1 -28 4  3  o 52.89687 0.6818421 27.95567       0.7203642 26.98782       0.9878246 29.05495       1.052772  -1.950184      1.363684  
1 1 1 -28 4  4  o 76.38359 0.8815522 58.45023       1.346697  58.31455       1.897816  58.58785       1.911290  -0.1779022     1.763104  
1 1 1 -28 4  5  f 44.74414 0.7454580 20.04873       0.6396144 20.03711       1.068773  20.05521       0.7983653 -0.3657532E-01 1.490916  
1 1 1 -28 4  6  o 74.16301 1.198023  55.13766       1.775931  56.41009       2.565530  53.96698       2.460831  1.636993       2.396047  
1 1 1 -28 4  7  f 85.97455 1.357040  74.21275       2.333186  74.85739       3.328068  73.58969       3.271897  0.7311935      2.714081  
1 1 1 -28 4  8  o 37.80416 0.7062610 13.70896       0.4972142 12.76513       0.5932127 15.93801       0.9116397 -4.178932      1.412522  
1 1 1 -28 4  9  o 33.32322 0.5829405 11.09766       0.3882032 10.74367       0.5361381 11.48779       0.5628392 -1.115311      1.165881  
1 1 1 -28 4  10 o 62.85809 0.7655380 39.18846       0.9561650 36.47153       1.267425  42.77738       1.456686  -5.004837      1.531076  
1 1 1 -28 4  11 o 54.34430 0.6985204 29.56395       0.7592056 29.53877       1.071276  29.58936       1.076098  -0.4628754E-01 1.397041  
1 1 1 -28 4  12 o 54.07291 0.6971246 29.07432       0.7506171 27.28699       1.005776  31.32135       1.127725  -3.724010      1.394249  
1 1 1 -28 4  13 o 63.57293 0.7734013 40.28597       0.9802884 38.29250       1.324292  42.70234       1.458009  -3.460442      1.546803  
1 1 1 -28 4  14 f 66.14590 0.7972645 43.65177       1.052037  41.66653       1.427210  46.01400       1.556836  -3.278336      1.594529  
1 1 1 -28 4  15 o 87.12321 0.9848843 75.90405       1.713332  73.38545       2.343593  78.79557       2.511106  -3.092049      1.969769  
1 1 1 -28 4  16 f 52.64021 0.6932516 27.72680       0.7296690 27.17943       1.017854  28.30548       1.046560  -1.068005      1.386503  
1 1 1 -28 4  17 f 44.53618 0.6455908 19.55724       0.5704988 17.47397       0.7518415 22.38478       0.8759095 -5.506866      1.291182  
1 1 1 -28 4  18 o 70.84969 0.8418982 50.27208       1.192861  50.75310       1.700709  49.80631       1.673538  0.6663132      1.683796  
1 1 1 -28 4  19 o 44.45434 0.6518447 19.74773       0.5790265 18.96192       0.7986699 20.61837       0.8406784 -1.860832      1.303689  
1 1 1 -28 4  20 o 59.60413 0.7538093 35.57280       0.8985828 35.34319       1.265662  35.80616       1.275977  -0.3877258     1.507619  
1 1 1 -28 4  21 o 7.000621 1.417466  0.5006555      0.2131692 0.6346070      0.2998874 0.3638445      0.3030713 1.587889       2.834932  
1 1 1 -28 4  22 o 49.61496 0.6849912 24.62176       0.6793169 25.30368       0.9815043 23.99474       0.9411633 1.316696       1.369982  
1 1 1 -28 4  23 o 31.22743 0.6233531 9.762500       0.3892116 9.493161       0.5499358 10.03280       0.5509221 -0.8639984     1.246706  
1 1 1 -28 4  24 o 39.46695 0.6417236 15.44999       0.5041828 13.81788       0.6774867 17.47590       0.7548084 -4.629673      1.283447  
1 1 1 -28 4  25 o 39.32781 0.6390239 15.45258       0.5020421 14.49729       0.6936619 16.50345       0.7275383 -2.548470      1.278048  
1 1 1 -28 4  26 f 54.19492 0.7216781 29.37451       0.7816595 28.32893       1.080822  30.52106       1.131807  -2.018707      1.443356  
1 1 1 -28 4  27 o 75.63501 0.8951883 57.33212       1.353980  57.89677       1.933459  56.78873       1.896705  0.7290649      1.790377  
1 1 1 -28 4  28 o 79.80969 0.9330924 63.47820       1.483138  59.92051       1.989663  67.92709       2.224952  -4.992943      1.866185  
1 1 1 -28 4  29 o 96.15536 1.524479  93.10429       2.931579  92.46654       4.120072  93.75826       4.172178  -0.6631622     3.048958  
1 1 1 -28 4  30 o 20.47738 0.7504441 4.209981       0.3057318 3.685004       0.4293481 4.750004       0.4354568 -2.599920      1.500888  
1 1 1 -28 4  31 o 57.32817 0.7552388 32.87883       0.8650722 33.96793       1.257973  31.90175       1.191524  1.796246       1.510478  
1 1 1 -28 4  32 o 9.509611 1.337916  0.9433546      0.2453558 0.9823391      0.3419580 0.9019901      0.3522414 0.4353285      2.675832  
1 1 1 -28 4  33 o 30.05469 0.6640570 9.038446       0.3989627 9.413818       0.5739634 8.687527       0.5549536 1.206696       1.328114  
1 1 1 -28 4  34 o 30.04705 0.6701374 9.042995       0.4026966 8.928546       0.5678242 9.158806       0.5711888 -0.3828678     1.340275  
1 1 1 -28 4  35 o 58.02940 0.7721070 33.62675       0.8940974 35.59362       1.319517  31.95711       1.215738  3.122501       1.544214  
1 1 1 -28 4  36 o 50.44279 0.7247043 25.48616       0.7309278 25.92995       1.048555  25.06667       1.019436  0.8528137      1.449409  
1 1 1 -28 4  37 o 24.25632 0.7367608 5.890146       0.3571411 6.051059       0.5176787 5.744004       0.4933470 0.6303883      1.473522  
1 1 1 -28 4  38 o 20.36106 0.8333148 4.203473       0.3352059 3.528826       0.4815701 4.837578       0.4668767 -3.215628      1.666630  
1 1 1 -28 4  39 o 52.33126 0.7455815 27.34219       0.7783923 28.94492       1.151693  25.99440       1.056130  2.808449       1.491163  
1 1 1 -28 4  40 o 10.28091 1.417580  1.117310       0.2840375 1.689501       0.4087890 0.5832096      0.3949478 5.361326       2.835159  
1 1 1 -28 4  41 o 35.72131 0.6999157 12.76691       0.4992958 13.20734       0.7304577 12.38067       0.6840469 1.151501       1.399831  
1 1 1 -28 4  42 o 39.35700 0.7174909 15.51591       0.5644878 14.88660       0.7860819 16.18594       0.8111192 -1.647545      1.434982  
1 1 1 -28 4  43 o 20.82101 0.8523354 4.352899       0.3547567 4.218760       0.5034740 4.485167       0.4999482 -0.6402874     1.704671  
1 1 1 -28 4  44 o 52.73946 0.7733155 27.82933       0.8145838 26.45826       1.117554  29.38347       1.189830  -2.762913      1.546631  
1 1 1 -28 4  45 o 21.90335 0.8510483 4.807935       0.3722116 4.437993       0.5153602 5.211323       0.5381525 -1.761507      1.702097  
1 1 1 -28 4  46 f 11.07260 1.449663  1.267555       0.3119442 1.534563       0.4476967 1.015600       0.4348932 2.514666       2.899325  
1 1 1 -28 4  47 o 18.52805 0.9837969 3.471236       0.3625527 3.111374       0.5192152 3.813655       0.5064760 -1.897947      1.967594  
1 1 1 -28 4  48 o 38.98523 0.7534824 15.25391       0.5874287 15.05808       0.8329841 15.44765       0.8285330 -0.5003738     1.506965  
1 1 1 -28 4  49 o 46.87579 0.7670420 22.05740       0.7191014 21.91865       1.017308  22.19596       1.016619  -0.2959061     1.534084  
1 1 1 -28 4  50 f 17.83861 1.042375  3.205537       0.3718540 3.263742       0.5298437 3.149042       0.5220059 0.3194904      2.084750  
1 1 1 -28 4  51 f 39.05717 0.7793978 15.27274       0.6078832 14.31234       0.8340147 16.36115       0.8878632 -2.612431      1.558796  
1 1 1 -28 4  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 5  1  o 70.35461 1.032279  49.13764       1.341146  50.92683       2.436896  48.36026       1.606290  1.746574       2.064559  
1 1 1 -28 5  2  o 39.54408 0.6574083 15.78796       0.5153607 14.24531       0.7556444 17.12955       0.7046815 -3.649818      1.314817  
1 1 1 -28 5  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 5  4  o 44.86293 0.8380275 19.98511       0.7480267 18.49447       0.9976415 21.89926       1.130513  -3.785172      1.676055  
1 1 1 -28 5  5  o 81.50024 1.186403  66.54607       1.896264  66.14473       2.448647  67.14737       2.997190  -0.5607071     2.372807  
1 1 1 -28 5  6  o 64.38100 0.7786474 41.42881       1.001462  43.15975       1.459517  39.88879       1.376673  2.534950       1.557295  
1 1 1 -28 5  7  o 49.83157 0.6619409 24.81527       0.6591234 25.89473       0.9569114 23.84077       0.9092000 2.058308       1.323882  
1 1 1 -28 5  8  o 92.01488 1.027100  84.87078       1.890115  84.59221       2.661198  85.15436       2.685014  -0.3034744     2.054201  
1 1 1 -28 5  9  o 66.53649 0.7970314 44.05414       1.055873  41.53799       1.414157  47.22392       1.587245  -4.261642      1.594063  
1 1 1 -28 5  10 o 35.42527 0.5860309 12.55907       0.4151998 12.59542       0.5891145 12.52319       0.5852666 0.1017685      1.172062  
1 1 1 -28 5  11 o 32.04428 0.5755880 10.27445       0.3688568 10.43742       0.5252998 10.11595       0.5180601 0.5012646      1.151176  
1 1 1 -28 5  12 o 26.67543 0.5786051 7.119005       0.3086000 7.367349       0.4402781 6.879164       0.4326738 0.9146938      1.157210  
1 1 1 -28 5  13 o 37.87000 0.6008469 14.33725       0.4548226 13.85912       0.6305820 14.85571       0.6566418 -1.314541      1.201694  
1 1 1 -28 5  14 o 61.35999 0.7568735 37.48786       0.9252980 35.40185       1.244161  40.06966       1.384141  -3.795097      1.513747  
1 1 1 -28 5  15 o 78.68121 0.9070114 61.98586       1.426660  60.80829       1.982037  63.25191       2.055154  -1.547485      1.814023  
1 1 1 -28 5  16 o 17.56628 0.6940224 3.084191       0.2424687 2.657713       0.3350669 3.553032       0.3513149 -2.547483      1.388045  
1 1 1 -28 5  17 f 69.80193 0.8308411 48.80115       1.159880  48.64679       1.637096  48.95672       1.643559  -0.2215576     1.661682  
1 1 1 -28 5  18 o 30.66157 0.5963619 9.408192       0.3656618 9.469858       0.5219502 9.348755       0.5124291 0.1970100      1.192724  
1 1 1 -28 5  19 o 6.669972 1.327732  0.4377922      0.2016128 0.7076551      0.2854405 0.1691247      0.2848076 3.132614       2.655464  
1 1 1 -28 5  20 f 18.89835 0.7047758 3.560835       0.2610135 2.664176       0.3546083 4.621036       0.3855930 -5.175488      1.409552  
1 1 1 -28 5  21 o 55.10089 0.7190626 30.34547       0.7915831 29.24090       1.089260  31.58168       1.152336  -2.120110      1.438125  
1 1 1 -28 5  22 o 59.94155 0.7543633 35.90836       0.9031923 34.58357       1.239465  37.40826       1.318841  -2.350807      1.508727  
1 1 1 -28 5  23 o 37.50864 0.6264331 14.01141       0.4686942 12.83015       0.6381028 15.39536       0.6906827 -3.416420      1.252866  
1 1 1 -28 5  24 o 53.39220 0.7111148 28.50904       0.7588350 27.48680       1.049899  29.62715       1.098027  -2.001026      1.422230  
1 1 1 -28 5  25 o 28.50646 0.6322852 8.066142       0.3588138 9.194717       0.5346112 7.141021       0.4840296 3.598925       1.264570  
1 1 1 -28 5  26 o 15.51689 0.8172845 2.404920       0.2532375 2.572017       0.3702335 2.258015       0.3471443 1.009850       1.634569  
1 1 1 -28 5  27 o 21.45017 0.7004020 4.602378       0.3001937 4.892506       0.4320614 4.331614       0.4173945 1.306349       1.400804  
1 1 1 -28 5  28 o 83.46751 0.9705610 69.84719       1.619958  68.77357       2.266866  70.96774       2.315853  -1.309311      1.941122  
1 1 1 -28 5  29 o 26.66126 0.6814467 7.121563       0.3619078 6.306329       0.5053640 7.979793       0.5185193 -3.137396      1.362893  
1 1 1 -28 5  30 o 92.45287 1.050843  85.60855       1.940051  88.75753       2.840865  82.85654       2.655771  3.169037       2.101686  
1 1 1 -28 5  31 o 10.53787 1.263431  1.167607       0.2488967 1.718246       0.3604705 0.6658834      0.3440870 5.098884       2.526861  
1 1 1 -28 5  32 o 73.26064 0.8806598 53.62212       1.286954  56.41306       1.905797  51.28259       1.744885  3.483955       1.761320  
1 1 1 -28 5  33 o 17.88499 0.8213757 3.219889       0.2917768 2.777694       0.4116897 3.666166       0.4135863 -2.483646      1.642751  
1 1 1 -28 5  34 o 36.94592 0.6686772 13.57482       0.4923171 15.02329       0.7333590 12.38650       0.6642438 3.562256       1.337354  
1 1 1 -28 5  35 o 55.08392 0.7548724 30.41073       0.8315721 30.19249       1.179982  30.62606       1.172098  -0.3943634     1.509745  
1 1 1 -28 5  36 o 58.91327 0.7804755 34.67573       0.9175237 36.45358       1.354248  33.16718       1.247468  2.777580       1.560951  
1 1 1 -28 5  37 o 15.57393 1.557251  2.485496       0.4757589 2.229680       0.7246335 2.679316       0.6307446 -1.464504      3.114502  
1 1 1 -28 5  38 o 45.68853 0.7153883 20.84114       0.6523060 22.11662       0.9616919 19.75427       0.8877397 2.577515       1.430777  
1 1 1 -28 5  39 o 22.46315 0.7727888 5.065525       0.3465639 4.931019       0.5013242 5.188641       0.4796262 -0.5760040     1.545578  
1 1 1 -28 5  40 o 20.55565 0.8342623 4.205610       0.3395936 5.118932       0.5032632 3.442089       0.4601440 4.072840       1.668525  
1 1 1 -28 5  41 o 27.42037 0.7438252 7.538918       0.4078587 7.565846       0.5822924 7.512984       0.5714588 0.9497833E-01  1.487650  
1 1 1 -28 5  42 o 33.35977 0.7169510 11.15801       0.4782567 10.88740       0.6752165 11.43045       0.6775034 -0.8136292     1.433902  
1 1 1 -28 5  43 o 34.16171 0.7162662 11.68608       0.4889669 12.37558       0.7043303 11.04462       0.6793529 1.944824       1.432532  
1 1 1 -28 5  44 o 35.28984 0.7308500 12.48229       0.5155295 12.68952       0.7442030 12.29110       0.7148218 0.5604095      1.461700  
1 1 1 -28 5  45 f 24.46529 0.8027063 5.978197       0.3910030 6.837916       0.5732211 5.230118       0.5347091 3.279736       1.605413  
1 1 1 -28 5  46 o 19.90189 0.8985887 3.983246       0.3571287 4.241467       0.5055875 3.726109       0.5045267 1.294550       1.797177  
1 1 1 -28 5  47 o 25.76245 0.8000633 6.671813       0.4117170 6.355464       0.5863075 6.979568       0.5782868 -1.212700      1.600127  
1 1 1 -28 5  48 o 38.37341 0.7483808 14.77949       0.5742575 14.56288       0.8155287 14.99252       0.8087592 -0.5609398     1.496762  
1 1 1 -28 5  49 o 32.39198 0.7791577 10.53075       0.5046023 10.15555       0.7070524 10.92021       0.7203647 -1.177914      1.558315  
1 1 1 -28 5  50 o 14.57572 1.220873  2.145487       0.3557394 2.237284       0.5101318 2.058588       0.4963348 0.6087618      2.441747  
1 1 1 -28 5  51 o 44.11974 0.9757321 19.52880       0.8408734 19.89334       1.347560  19.29635       1.076074  0.6121674      1.951464  
1 1 1 -28 5  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 6  1  o 8.622603 1.249564  0.7450847      0.2154899 0.7450847      0.2154899 ?              ?         ?              ?         
1 1 1 -28 6  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 6  3  o 57.56891 1.506230  33.23824       1.734240  33.23824       1.734240  ?              ?         ?              ?         
1 1 1 -28 6  4  o 26.68765 0.7613106 6.801782       0.3541535 7.812345       0.7243087 6.484271       0.4059952 2.467089       1.522621  
1 1 1 -28 6  5  o 46.48432 0.6365366 21.60476       0.5913868 20.96518       0.8183059 22.30403       0.8556370 -1.438046      1.273073  
1 1 1 -28 6  6  o 70.73239 0.8318725 49.97839       1.174633  52.28844       1.726318  47.98682       1.602903  3.031990       1.663745  
1 1 1 -28 6  7  o 69.31021 1.083509  47.88961       1.457645  49.34115       2.382894  47.02168       1.842601  1.623962       2.167018  
1 1 1 -28 6  8  o 49.71378 0.6629140 24.72553       0.6587944 24.29446       0.9145950 25.19039       0.9497512 -0.8991280     1.325828  
1 1 1 -28 6  9  o 46.15799 0.6390618 21.31437       0.5897933 21.90874       0.8456460 20.75141       0.8230021 1.252464       1.278124  
1 1 1 -28 6  10 o 38.71625 0.5976805 14.94265       0.4618173 14.07935       0.6287413 15.95409       0.6805472 -2.418556      1.195361  
1 1 1 -28 6  11 o 34.68866 0.5799954 12.03448       0.4022430 12.45892       0.5770099 11.63321       0.5610414 1.189400       1.159991  
1 1 1 -28 6  12 o 67.64349 0.8096614 45.76047       1.094320  47.29992       1.590615  44.37695       1.507902  2.155014       1.619323  
1 1 1 -28 6  13 o 76.65454 0.8890265 58.86773       1.362952  59.09430       1.930651  58.64263       1.924375  0.2941513      1.778053  
1 1 1 -28 6  14 o 91.29443 1.024857  83.54075       1.871047  82.81387       2.621693  84.29530       2.671119  -0.8071289     2.049713  
1 1 1 -28 6  15 o 46.72071 0.6515985 21.71788       0.6067676 20.28541       0.8176953 23.47315       0.9051520 -3.406708      1.303197  
1 1 1 -28 6  16 o 101.5752 1.123961  103.4079       2.281946  101.3740       3.161582  105.6197       3.296993  -2.077118      2.247923  
1 1 1 -28 6  17 f 40.42812 0.6201288 16.30376       0.5005564 15.30690       0.6848629 17.44698       0.7334160 -2.644207      1.240258  
1 1 1 -28 6  18 o 75.83536 0.8850695 57.61771       1.342364  57.93723       1.905800  57.30312       1.891065  0.4169617      1.770139  
1 1 1 -28 6  19 o 19.72402 0.6738501 3.875154       0.2601745 5.068955       0.3853210 2.874808       0.3527212 5.560230       1.347700  
1 1 1 -28 6  20 o 18.67302 0.6898421 3.485648       0.2572360 3.768754       0.3711315 3.223895       0.3568614 1.458067       1.379684  
1 1 1 -28 6  21 o 22.41415 0.6404013 5.029437       0.2870648 5.094794       0.4062020 4.964226       0.4057402 0.2912350      1.280803  
1 1 1 -28 6  22 o 24.38879 0.6316580 5.955128       0.3079517 5.712286       0.4338346 6.201758       0.4372041 -1.003277      1.263316  
1 1 1 -28 6  23 o 49.96778 0.6907291 24.86070       0.6881765 23.20454       0.9300554 26.86455       1.023032  -3.656033      1.381458  
1 1 1 -28 6  24 o 41.63290 0.6449797 17.14777       0.5336475 19.30087       0.8119259 15.51026       0.7080722 4.545574       1.289959  
1 1 1 -28 6  25 o 31.07858 0.6299202 9.658043       0.3912525 9.980869       0.5667804 9.364172       0.5407652 0.9904537      1.259840  
1 1 1 -28 6  26 o 65.87482 1.122134  43.32248       1.472786  46.17707       2.202678  41.01439       1.980639  3.892372       2.244267  
1 1 1 -28 6  27 o 68.37007 0.8353497 46.83660       1.142152  47.30541       1.628844  46.38313       1.601985  0.6720810      1.670699  
1 1 1 -28 6  28 o 50.57110 0.7108130 25.40014       0.7151577 27.69584       1.081249  23.61478       0.9535213 4.024975       1.421626  
1 1 1 -28 6  29 o 42.92275 0.6665813 18.45101       0.5722004 18.31553       0.8112888 18.58510       0.8071541 -0.3143272     1.333163  
1 1 1 -28 6  30 o 42.74521 0.6719956 18.29725       0.5743438 18.38013       0.8224589 18.21836       0.8024020 0.1876259      1.343991  
1 1 1 -28 6  31 o 65.12569 0.8144276 42.42113       1.059103  44.04137       1.551856  41.00852       1.449020  2.318157       1.628855  
1 1 1 -28 6  32 o 57.58413 0.7624889 33.23158       0.8780770 32.94679       1.245914  33.51263       1.237704  -0.4921112     1.524978  
1 1 1 -28 6  33 f 47.49158 0.7026348 22.43307       0.6643457 24.29253       0.9995512 20.96164       0.8891610 3.496517       1.405270  
1 1 1 -28 6  34 o 46.23045 0.7015321 21.40917       0.6484262 21.55053       0.9304318 21.27568       0.9041589 0.2947617      1.403064  
1 1 1 -28 6  35 o 43.02687 0.6904982 18.54842       0.5941454 18.46741       0.8448942 18.62767       0.8356787 -0.1871033     1.380996  
1 1 1 -28 6  36 o 24.92231 0.7195470 6.225610       0.3580679 6.199756       0.5209446 6.248763       0.4929807 -0.1011963     1.439094  
1 1 1 -28 6  37 o 44.89098 0.7067800 20.16587       0.6339061 20.77933       0.9221805 19.61633       0.8728127 1.290253       1.413560  
1 1 1 -28 6  38 o 20.82669 0.8099671 4.335155       0.3358654 4.948053       0.4894023 3.789509       0.4617719 2.778053       1.619934  
1 1 1 -28 6  39 o 19.15641 0.8504625 3.672675       0.3237842 4.274362       0.4709131 3.133186       0.4459094 2.975170       1.700925  
1 1 1 -28 6  40 o 22.88313 0.7788705 5.245593       0.3555665 5.781105       0.5123354 4.747993       0.4938668 2.254887       1.557741  
1 1 1 -28 6  41 o 27.42978 0.7250998 7.522464       0.3969740 6.884258       0.5469121 8.233111       0.5771168 -2.454885      1.450200  
1 1 1 -28 6  42 o 36.01357 0.7021619 12.99517       0.5055836 12.55133       0.7067925 13.46026       0.7235069 -1.259853      1.404324  
1 1 1 -28 6  43 o 11.50412 1.307888  1.335171       0.3008689 1.331338       0.4212870 1.339161       0.4298273 -0.3194332E-01 2.615776  
1 1 1 -28 6  44 o 40.99725 0.7279132 16.80817       0.5959432 17.79900       0.8722696 15.94081       0.8161122 2.258221       1.455826  
1 1 1 -28 6  45 o 28.75558 0.7655781 8.294618       0.4402432 8.132978       0.6178840 8.461285       0.6274213 -0.5693932     1.531156  
1 1 1 -28 6  46 o 41.21133 0.7391998 17.04051       0.6092558 17.13909       0.8649867 16.94345       0.8582878 0.2362862      1.478400  
1 1 1 -28 6  47 o 36.94799 0.7490106 13.68439       0.5531462 13.06400       0.7689042 14.34986       0.7963515 -1.735546      1.498021  
1 1 1 -28 6  48 o 40.52697 0.7594631 16.40470       0.6139812 14.98769       0.8372275 18.05350       0.9031116 -3.771103      1.518926  
1 1 1 -28 6  49 o 12.21417 1.448219  1.544533       0.3413686 1.250838       0.4771708 1.852424       0.4885670 -2.643078      2.896437  
1 1 1 -28 6  50 o 6.669467 1.935284  0.1640480      0.4114532 0.1255537      0.5527175 0.2118945      0.6162123 -0.5491309     3.870569  
1 1 1 -28 6  51 o 39.18990 2.071295  0.000000       0.000000  ?              ?         15.58740       1.623477  ?              ?         
1 1 1 -28 7  1  o 57.25881 0.8391596 32.76667       0.9186049 32.56197       1.140520  33.14468       1.549876  -0.4740181     1.678319  
1 1 1 -28 7  2  o 27.60840 0.5286518 7.566356       0.2906062 8.605307       0.4323357 6.710027       0.3925041 3.430338       1.057304  
1 1 1 -28 7  3  o 56.53326 0.7060638 31.97582       0.7979161 32.87209       1.151106  31.14688       1.107031  1.522827       1.412128  
1 1 1 -28 7  4  f 54.79401 0.7589863 29.93288       0.8162303 29.37814       1.052579  30.76963       1.292731  -1.252686      1.517973  
1 1 1 -28 7  5  o 30.42381 0.9411789 9.260763       0.5720559 9.881639       0.8273575 8.692064       0.7918298 1.951942       1.882358  
1 1 1 -28 7  6  o 55.21731 1.053264  30.55411       1.162599  29.92626       1.613725  31.23166       1.676390  -1.176125      2.106529  
1 1 1 -28 7  7  o 25.53730 0.7836762 6.012571       0.3420670 7.552735       0.7339234 5.585152       0.3866289 3.828537       1.567352  
1 1 1 -28 7  8  o 32.71124 0.5695162 10.69143       0.3722864 10.19178       0.5149137 11.23869       0.5388893 -1.599039      1.139032  
1 1 1 -28 7  9  o 44.74545 0.6301746 19.99841       0.5633306 21.01995       0.8200308 19.08551       0.7751979 2.159153       1.260349  
1 1 1 -28 7  10 o 7.447008 1.783364  0.4465553      0.3409810 0.8299285      0.4912867 0.9023225E-01  0.4736374 3.060415       3.566727  
1 1 1 -28 7  11 f 30.75383 0.5755435 9.416108       0.3530621 10.33492       0.5207505 8.634465       0.4803084 2.762625       1.151087  
1 1 1 -28 7  12 o 26.76245 0.5719998 7.163355       0.3060489 6.908440       0.4271327 7.432311       0.4387376 -0.9781704     1.144000  
1 1 1 -28 7  13 o 58.33126 0.7325896 33.80454       0.8505447 36.76426       1.282097  31.47807       1.136691  4.522011       1.465179  
1 1 1 -28 7  14 o 85.69470 0.9715163 73.45357       1.662425  71.07177       2.274847  76.18344       2.435405  -2.969002      1.943033  
1 1 1 -28 7  15 o 55.50262 0.7123688 30.79546       0.7899873 29.79328       1.088056  31.91275       1.148842  -1.905582      1.424738  
1 1 1 -28 7  16 o 32.51080 0.5921294 10.43973       0.3824585 9.160674       0.5089660 12.09878       0.5796593 -4.514992      1.184259  
1 1 1 -28 7  17 o 66.20894 0.8011439 43.85938       1.060077  42.72057       1.465302  45.10993       1.535512  -1.799400      1.602288  
1 1 1 -28 7  18 o 18.39107 0.6630076 3.383555       0.2435245 3.139783       0.3395499 3.641756       0.3494549 -1.364124      1.326015  
1 1 1 -28 7  19 o 66.33778 0.8040950 44.07852       1.066795  44.41301       1.517049  43.75132       1.500439  0.4974899      1.608190  
1 1 1 -28 7  20 o 44.79990 0.6527344 19.98889       0.5832704 21.62043       0.8639014 18.62215       0.7906899 3.341755       1.305469  
1 1 1 -28 7  21 o 52.44987 0.7005177 27.54733       0.7348338 27.54907       1.041580  27.54562       1.036860  0.2964020E-02  1.401035  
1 1 1 -28 7  22 o 48.70490 0.6786512 23.74828       0.6609779 24.01335       0.9445114 23.49386       0.9253121 0.5319824      1.357302  
1 1 1 -28 7  23 o 51.19740 0.7010415 26.16554       0.7164645 27.60354       1.053773  24.92934       0.9770395 2.606094       1.402083  
1 1 1 -28 7  24 o 36.91321 0.8208642 13.64391       0.6058123 14.04960       0.8700287 13.26207       0.8440573 1.064514       1.641728  
1 1 1 -28 7  25 o 58.05109 0.7516661 33.72985       0.8722700 34.56962       1.257987  32.95224       1.210533  1.389309       1.503332  
1 1 1 -28 7  26 o 68.52257 0.8356506 47.05054       1.145178  47.34246       1.627938  46.76458       1.611243  0.4201660      1.671301  
1 1 1 -28 7  27 f 57.47441 0.7508433 33.06363       0.8626016 33.89591       1.245626  32.29671       1.195710  1.387074       1.501687  
1 1 1 -28 7  28 o 85.49504 0.9838648 73.32166       1.682274  73.59332       2.388649  73.05431       2.369653  0.3130875      1.967730  
1 1 1 -28 7  29 o 70.33690 0.8543224 49.39196       1.198507  52.25057       1.777063  47.00679       1.623250  3.712029       1.708645  
1 1 1 -28 7  30 o 63.48215 0.8005900 40.37476       1.016271  39.57978       1.420760  41.20768       1.454275  -1.278873      1.601180  
1 1 1 -28 7  31 o 45.46800 0.6873472 20.64741       0.6239627 21.74972       0.9160204 19.69321       0.8522587 2.255898       1.374694  
1 1 1 -28 7  32 o 33.86938 0.6569088 11.49627       0.4446413 10.99044       0.6293500 12.00039       0.6282868 -1.491035      1.313818  
1 1 1 -28 7  33 o 27.59000 0.6721443 7.631416       0.3705646 7.426871       0.5305626 7.826227       0.5177858 -0.7248974     1.344289  
1 1 1 -28 7  34 o 23.33505 0.7129893 5.407138       0.3310605 5.951499       0.4999416 4.982011       0.4418096 2.071638       1.425979  
1 1 1 -28 7  35 o 32.67601 0.6719142 10.68669       0.4387123 10.91671       0.6366156 10.47867       0.6054246 0.6673050      1.343828  
1 1 1 -28 7  36 o 28.25505 0.6865039 8.001876       0.3877966 7.788445       0.5503304 8.212378       0.5465435 -0.7505703     1.373008  
1 1 1 -28 7  37 o 30.34880 0.6894961 9.231803       0.4181156 9.155591       0.6031475 9.302311       0.5801332 -0.2440701     1.378992  
1 1 1 -28 7  38 o 22.25465 1.026081  5.066398       0.4213035 5.220548       0.5103472 4.736580       0.7465045 1.124376       2.052163  
1 1 1 -28 7  39 o 59.67814 0.7988069 35.71669       0.9532527 36.07513       1.363643  35.37413       1.333083  0.5831718      1.597614  
1 1 1 -28 7  40 o 22.62704 0.7837836 5.131009       0.3543768 5.235726       0.5140954 5.036202       0.4891627 0.4374619      1.567567  
1 1 1 -28 7  41 o 43.33179 0.7212284 18.82420       0.6249718 18.43431       0.8804324 19.22020       0.8872947 -0.9059601     1.442457  
1 1 1 -28 7  42 o 15.29302 1.021621  2.347458       0.3120856 2.423926       0.4552569 2.279665       0.4286547 0.4667473      2.043242  
1 1 1 -28 7  43 o 21.60938 0.8369296 4.686097       0.3567648 3.711173       0.4909853 5.776654       0.5192867 -4.774658      1.673859  
1 1 1 -28 7  44 o 41.05370 0.7248424 16.90422       0.5950524 16.88897       0.8490167 16.91894       0.8342403 -0.3862762E-01 1.449685  
1 1 1 -28 7  45 o 27.38360 0.7798007 7.516422       0.4265324 6.999605       0.5930187 8.070349       0.6139411 -1.951685      1.559601  
1 1 1 -28 7  46 o 17.76151 0.9976836 3.200624       0.3504952 2.673676       0.4980060 3.717820       0.4933766 -2.940367      1.995367  
1 1 1 -28 7  47 o 17.48159 1.029747  3.076165       0.3598795 3.198437       0.5118761 2.956653       0.5060666 0.6902142      2.059494  
1 1 1 -28 7  48 o 28.00421 0.8083192 7.879643       0.4502783 6.837103       0.6272766 8.987913       0.6467493 -3.836514      1.616638  
1 1 1 -28 7  49 f 40.30753 1.003967  16.35495       0.8091213 15.84266       1.131395  16.89125       1.157596  -1.294159      2.007934  
1 1 1 -28 7  50 o 11.44037 1.738245  1.365452       0.4128267 0.5752286      0.5681457 2.249353       0.6008787 -6.905606      3.476490  
1 1 1 -28 7  51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 8  1  o 16.86604 1.277983  2.846465       0.4253522 2.254448       0.5803775 3.533450       0.6251978 -3.785712      2.555966  
1 1 1 -28 8  2  o 21.82071 1.070767  4.765687       0.4665161 4.401521       0.6435978 5.168859       0.6771902 -1.754539      2.141534  
1 1 1 -28 8  3  o 38.48774 0.9550819 14.84316       0.7346784 14.61767       1.017327  15.08894       1.062103  -0.6078453     1.910164  
1 1 1 -28 8  4  f 63.11372 0.7613175 39.88636       0.9607481 39.35593       1.340617  40.44643       1.377541  -0.8610802     1.522635  
1 1 1 -28 8  5  o 34.43811 0.5531271 11.83202       0.3803616 11.13253       0.5208918 12.63105       0.5567186 -2.173717      1.106254  
1 1 1 -28 8  6  o 6.662686 0.8545653 0.4518978      0.1101722 0.3409655      0.1506017 0.5796122      0.1615923 -1.889361      1.709131  
1 1 1 -28 8  7  o 23.32957 0.5339341 5.436451       0.2488435 5.807528       0.3602235 5.097729       0.3441613 1.520430       1.067868  
1 1 1 -28 8  8  o 51.44697 0.8754141 26.63117       0.8233164 26.79420       0.9837243 26.24995       1.504331  0.5705185      1.750828  
1 1 1 -28 8  9  o 36.14490 0.9653904 12.99777       0.6951128 11.96718       0.9341346 14.27648       1.040525  -3.185005      1.930781  
1 1 1 -28 8  10 o 42.02095 0.9574441 17.69867       0.8046323 17.57125       1.132877  17.82838       1.143035  -0.3050728     1.914888  
1 1 1 -28 8  11 o 51.40646 0.8646896 26.79569       0.8308069 25.56973       1.445881  27.39997       1.015119  -1.813457      1.729379  
1 1 1 -28 8  12 o 31.89356 0.9536435 10.04194       0.6026756 12.17823       0.9125350 8.389256       0.8026281 5.930490       1.907287  
1 1 1 -28 8  13 o 37.89215 0.5975530 14.32937       0.4521473 13.60364       0.6188689 15.16027       0.6621931 -2.051659      1.195106  
1 1 1 -28 8  14 o 31.74832 0.5772238 10.08857       0.3664909 9.936134       0.5177853 10.24161       0.5188090 -0.4810314     1.154448  
1 1 1 -28 8  15 o 46.69048 0.6507421 21.76832       0.6067967 20.79002       0.8313746 22.88360       0.8876691 -2.238583      1.301484  
1 1 1 -28 8  16 f 74.13546 0.8692341 55.07087       1.288819  55.21560       1.824752  54.92680       1.820584  0.1944427      1.738468  
1 1 1 -28 8  17 o 31.97896 0.5920309 10.23624       0.3786406 10.13697       0.5348475 10.33598       0.5361121 -0.3110924     1.184062  
1 1 1 -28 8  18 o 30.39359 0.5945992 9.247250       0.3613525 8.986977       0.5097548 9.510141       0.5123140 -0.8605022     1.189198  
1 1 1 -28 8  19 o 25.92706 0.6030548 6.727634       0.3125688 6.773433       0.4494791 6.684747       0.4349564 0.1701565      1.206110  
1 1 1 -28 8  20 o 18.97148 0.6772758 3.603834       0.2569674 3.613491       0.3653161 3.594375       0.3615271 0.5011749E-01  1.354552  
1 1 1 -28 8  21 o 88.46905 1.399421  78.45979       2.470120  75.23396       3.354956  82.27846       3.650251  -3.938553      2.798841  
1 1 1 -28 8  22 o 43.39524 0.6527079 18.85248       0.5664445 18.54911       0.7959840 19.16374       0.8062618 -0.7074814     1.305416  
1 1 1 -28 8  23 o 22.38930 0.6583377 5.016178       0.2942930 4.623405       0.4105369 5.431368       0.4220899 -1.803555      1.316675  
1 1 1 -28 8  24 o 24.01556 0.6515840 5.773194       0.3129026 5.856143       0.4479157 5.694132       0.4372976 0.3365669      1.303168  
1 1 1 -28 8  25 o 36.75895 0.6356196 13.52816       0.4672195 13.57741       0.6672750 13.48080       0.6544093 0.1305199      1.271239  
1 1 1 -28 8  26 o 23.94457 0.6611924 5.687007       0.3147660 6.630312       0.4694234 4.916395       0.4242840 3.575575       1.322385  
1 1 1 -28 8  27 o 18.25782 0.7553995 3.331113       0.2754827 3.534430       0.4016679 3.150534       0.3785424 1.049292       1.510799  
1 1 1 -28 8  28 o 43.75558 0.6680947 19.11806       0.5835679 20.08134       0.8579215 18.28856       0.7961186 2.043682       1.336189  
1 1 1 -28 8  29 o 23.92782 0.6804238 5.737566       0.3254229 5.632431       0.4657246 5.837870       0.4549013 -0.4301987     1.360848  
1 1 1 -28 8  30 o 14.31709 0.9108993 2.041105       0.2542740 2.736025       0.3790585 1.472584       0.3428560 4.408211       1.821799  
1 1 1 -28 8  31 o 30.89015 0.6602824 9.563545       0.4075555 9.396388       0.5859073 9.720244       0.5672848 -0.5258369     1.320565  
1 1 1 -28 8  32 o 26.88692 0.6731232 7.200668       0.3608124 7.765560       0.5370710 6.735983       0.4871112 1.910088       1.346246  
1 1 1 -28 8  33 o 13.21170 0.9800040 1.747145       0.2577312 1.997439       0.3747666 1.522547       0.3550093 1.794599       1.960008  
1 1 1 -28 8  34 o 34.48396 0.6689079 11.91641       0.4611726 11.59672       0.6537873 12.23300       0.6506173 -0.9228745     1.337816  
1 1 1 -28 8  35 o 25.24747 0.6934252 6.390325       0.3496646 5.976193       0.4924600 6.811391       0.4965664 -1.653608      1.386850  
1 1 1 -28 8  36 o 27.19432 0.6992526 7.387767       0.3797088 7.836688       0.5562308 6.996004       0.5196158 1.541925       1.398505  
1 1 1 -28 8  37 o 11.50151 1.190707  1.331869       0.2734707 1.240300       0.3850932 1.425028       0.3884203 -0.8024473     2.381413  
1 1 1 -28 8  38 f 38.05254 1.084353  14.43295       0.8209749 15.82767       1.240672  13.34653       1.094994  3.233700       2.168706  
1 1 1 -28 8  39 o 15.15644 1.013978  2.334967       0.3018248 1.825818       0.4260458 2.847955       0.4276483 -3.371677      2.027955  
1 1 1 -28 8  40 o 47.32942 0.7323048 22.46568       0.6930336 22.04063       0.9836565 22.88463       0.9765770 -0.8925438     1.464610  
1 1 1 -28 8  41 o 18.68800 0.8985872 3.503187       0.3351294 3.557858       0.4920088 3.455867       0.4577341 0.2673721      1.797174  
1 1 1 -28 8  42 o 32.82104 0.8414125 10.98479       0.5340641 10.09111       0.8541758 11.55838       0.6843175 -2.261681      1.682825  
1 1 1 -28 8  43 o 36.82037 0.8386505 13.67779       0.6001032 13.32098       0.9641495 13.90343       0.7667231 -0.8234215     1.677301  
1 1 1 -28 8  44 o 23.67776 1.011948  5.644361       0.4768974 4.946610       0.6664044 6.376788       0.6827625 -3.016752      2.023897  
1 1 1 -28 8  45 o 26.35943 0.9853905 6.955122       0.5181681 7.582359       0.7647651 6.422791       0.7045354 2.186359       1.970781  
1 1 1 -28 8  46 o 9.424780 1.851720  0.9301799      0.3750307 0.5973703      0.5371596 1.246687       0.5238382 -2.856375      3.703441  
1 1 1 -28 8  47 o 21.26887 1.135653  4.555783       0.4806737 3.963417       0.6658252 5.200531       0.6946405 -2.900850      2.271306  
1 1 1 -28 8  48 o 21.36703 1.141239  4.616300       0.4836810 3.886755       0.6750975 5.385767       0.6933230 -3.502771      2.282479  
1 1 1 -28 8  49 o 30.75112 1.016875  9.516577       0.6240234 8.672750       0.8682629 10.41812       0.8974664 -2.830471      2.033749  
1 1 1 -28 8  50 o 52.95843 1.542932  0.000000       0.000000  ?              ?         28.27836       1.634225  ?              ?         
1 1 1 -28 9  1  o 10.95301 1.876764  1.265766       0.4081140 1.406618       0.5681679 1.115631       0.5865936 1.254032       3.753527  
1 1 1 -28 9  2  o 20.06416 1.166045  3.988695       0.4634754 3.301952       0.6202661 4.856859       0.6973998 -3.865330      2.332090  
1 1 1 -28 9  3  o 35.53770 0.9728947 12.57753       0.6888598 11.67099       0.9262735 13.69937       1.030417  -2.843182      1.945789  
1 1 1 -28 9  4  o 30.59332 0.9763634 9.295448       0.5943535 8.203259       0.7990571 10.64809       0.8892428 -3.986490      1.952727  
1 1 1 -28 9  5  o 33.39491 0.9673343 11.18332       0.6457590 11.19623       0.8994484 11.16959       0.9276884 0.4273987E-01  1.934669  
1 1 1 -28 9  6  o 57.41245 1.098710  33.07294       1.261458  33.75518       1.795466  32.40790       1.772694  1.170761       2.197421  
1 1 1 -28 9  7  o 52.45781 0.8903736 26.87045       0.8276918 26.08779       0.9610597 29.11798       1.628615  -2.828613      1.780747  
1 1 1 -28 9  8  o 39.37444 0.5857670 15.51670       0.4612406 15.65676       0.6578481 15.38126       0.6468757 0.3491936      1.171534  
1 1 1 -28 9  9  o 118.2399 1.285865  140.4237       3.040165  142.2834       4.354024  138.6544       4.246864  1.520767       2.571729  
1 1 1 -28 9  10 o 13.32411 0.6407021 1.779258       0.1704529 1.898392       0.2411607 1.660330       0.2409530 0.8933363      1.281404  
1 1 1 -28 9  11 o 33.17612 0.5720675 10.96369       0.3786205 11.80734       0.5600195 10.25340       0.5138547 2.339340       1.144135  
1 1 1 -28 9  12 o 8.883556 1.493071  0.9190189      0.2125426 0.9889348      0.2316465 0.5468159      0.5344747 2.102993       2.986141  
1 1 1 -28 9  13 o 23.15870 1.072217  5.381088       0.4964520 5.201975       0.7001423 5.562207       0.7040526 -0.7773285     2.144435  
1 1 1 -28 9  14 o 46.45627 1.007135  21.63010       0.9354454 22.20022       1.343966  21.09434       1.302832  1.186089       2.014270  
1 1 1 -28 9  15 o 58.92458 1.112666  34.69817       1.307895  32.89172       1.773515  36.85188       1.936500  -3.342083      2.225333  
1 1 1 -28 9  16 f 14.83241 1.045070  1.692327       0.2542289 3.233477       0.6165590 1.376625       0.2790558 6.222783       2.090141  
1 1 1 -28 9  17 o 49.74656 0.6856201 24.77355       0.6820418 24.29728       0.9549252 25.26951       0.9744776 -0.9757996     1.371240  
1 1 1 -28 9  18 o 17.34123 0.7793620 3.013573       0.2677040 2.484292       0.3705357 3.591518       0.3871950 -3.191133      1.558724  
1 1 1 -28 9  19 o 10.93587 0.9198747 1.196772       0.2007804 1.093063       0.2781178 1.309655       0.2901573 -0.9891272     1.839749  
1 1 1 -28 9  20 o 32.17141 0.6133494 10.12251       0.3898120 8.376259       0.5108028 12.55767       0.6032021 -6.492708      1.226699  
1 1 1 -28 9  21 o 28.69127 0.6092582 8.235546       0.3493642 7.811947       0.4878348 8.681535       0.5005621 -1.514605      1.218516  
1 1 1 -28 9  22 o 81.59100 0.9457160 66.58011       1.540322  64.12743       2.101523  69.42736       2.264258  -3.231400      1.891432  
1 1 1 -28 9  23 o 73.33733 0.8752061 53.75235       1.281109  51.54667       1.745458  56.32821       1.886244  -3.246506      1.750412  
1 1 1 -28 9  24 o 42.50046 0.6534853 18.05387       0.5549482 17.25318       0.7654178 18.94120       0.8057663 -1.982937      1.306971  
1 1 1 -28 9  25 o 26.59371 0.6439396 7.054320       0.3406617 6.088516       0.4672747 8.149991       0.4977003 -3.873623      1.287879  
1 1 1 -28 9  26 o 45.49297 0.6743150 20.72758       0.6135013 20.45258       0.8661494 21.00445       0.8691018 -0.6063156     1.348630  
1 1 1 -28 9  27 o 18.72909 0.7379956 3.499654       0.2734577 4.263956       0.4012901 2.837036       0.3736435 3.806904       1.475991  
1 1 1 -28 9  28 o 61.31982 0.7846949 37.63774       0.9615580 38.78130       1.394722  36.60182       1.327466  1.770496       1.569390  
1 1 1 -28 9  29 o 29.96484 0.6452297 8.964054       0.3860676 9.577240       0.5648652 8.426519       0.5288743 1.917097       1.290459  
1 1 1 -28 9  30 o 71.27011 0.8650923 50.79163       1.230512  53.11734       1.812891  48.80480       1.675618  3.009598       1.730185  
1 1 1 -28 9  31 o 44.86378 0.6871874 20.07852       0.6147905 21.25117       0.9129776 19.10559       0.8315992 2.383617       1.374375  
1 1 1 -28 9  32 o 57.45979 0.7620708 33.00280       0.8742577 34.55551       1.283269  31.65793       1.194295  2.512081       1.524142  
1 1 1 -28 9  33 f 45.40549 0.6963575 20.65644       0.6321945 20.67302       0.9049194 20.64065       0.8835787 0.3352737E-01  1.392715  
1 1 1 -28 9  34 o 54.55024 0.7545022 29.82844       0.8231218 29.48971       1.164511  30.16665       1.163629  -0.6205750     1.509004  
1 1 1 -28 9  35 o 22.41945 0.8205106 5.125164       0.3573384 4.650424       0.5627970 5.445820       0.4625337 -1.785849      1.641021  
1 1 1 -28 9  36 o 17.23022 0.9624605 3.064505       0.3209614 2.575610       0.4966287 3.415171       0.4206020 -2.447397      1.924921  
1 1 1 -28 9  37 o 8.998379 1.636864  0.8359844      0.3086360 1.204061       0.4459067 0.4974752      0.4276218 3.460701       3.273727  
1 1 1 -28 9  38 o 33.68224 0.8954296 11.37057       0.6015183 10.23131       0.8332453 12.61041       0.8692470 -3.526060      1.790859  
1 1 1 -28 9  39 o 8.974298 1.671629  0.8074356      0.3277784 0.3596335      0.4503470 1.311886       0.4779840 -4.446033      3.343259  
1 1 1 -28 9  40 o 51.55204 1.002764  26.69526       1.033563  26.09234       1.439775  27.33633       1.484615  -1.198528      2.005528  
1 1 1 -28 9  41 o 20.08147 1.060710  4.025797       0.4197211 5.082288       0.6225610 3.145462       0.5682943 4.811853       2.121419  
1 1 1 -28 9  42 o 23.10699 0.9526923 5.364099       0.4374679 5.347097       0.5860971 5.385487       0.6573642 -0.6974411E-01 1.905385  
1 1 1 -28 9  43 f 8.694797 1.765487  0.7371151      0.3275864 0.4946441      0.4254518 1.090189       0.5133969 -2.912693      3.530973  
1 1 1 -28 9  44 o 41.65076 0.7710671 17.37746       0.6406102 16.97184       0.8705362 17.85653       0.9460920 -1.049358      1.542134  
1 1 1 -28 9  45 o 33.55682 0.7533585 11.23032       0.5038455 12.16445       0.7518232 10.46875       0.6788427 2.514427       1.506717  
1 1 1 -28 9  46 o 16.54516 1.049953  2.771005       0.3453780 2.463144       0.4936253 3.066258       0.4834114 -1.825025      2.099906  
1 1 1 -28 9  47 o 10.14669 1.810404  1.074275       0.3758820 1.472133       0.5503674 0.7264638      0.5145894 3.330926       3.620807  
1 1 1 -28 9  48 o 17.02837 1.248834  2.921419       0.4243677 2.671021       0.5823548 3.204940       0.6196753 -1.555977      2.497669  
1 1 1 -28 9  49 o 26.94508 1.049100  7.316905       0.5651829 7.530788       0.7995294 7.103279       0.7990497 0.7931767      2.098201  
1 1 1 -28 9  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 10 1  f 46.11741 1.032422  21.34671       0.9520244 21.71941       1.340278  20.96717       1.352538  0.8170204      2.064844  
1 1 1 -28 10 2  o 16.06144 1.520762  2.687168       0.4555500 3.613321       0.6522896 1.805335       0.6364910 5.805761       3.041524  
1 1 1 -28 10 3  o 23.47574 1.110266  5.536711       0.5202060 5.607584       0.7156700 5.457314       0.7574734 0.3251457      2.220533  
1 1 1 -28 10 4  o 27.55313 1.032577  7.612160       0.5688431 7.375863       0.7943318 7.860912       0.8149974 -0.8779049     2.065154  
1 1 1 -28 10 5  o 8.203141 1.988751  0.6142418      0.3971342 0.4615189      0.5610029 0.7676523      0.5622645 -1.210112      3.977502  
1 1 1 -28 10 6  o 19.54591 1.218284  3.827375       0.4756165 3.596275       0.6543055 4.086296       0.6925709 -1.248587      2.436568  
1 1 1 -28 10 7  o 54.43302 1.080826  29.73303       1.176602  29.79103       1.657216  29.67408       1.670799  0.1089630      2.161652  
1 1 1 -28 10 8  o 33.74435 0.9888922 11.40689       0.6669915 11.03425       0.9241369 11.81208       0.9636394 -1.148426      1.977784  
1 1 1 -28 10 9  o 21.07184 1.179600  4.459876       0.4969049 4.511960       0.6949278 4.405386       0.7108002 0.2548428      2.359200  
1 1 1 -28 10 10 o 52.43421 0.6844821 27.46492       0.7166850 28.69713       1.050018  26.39018       0.9806277 2.194881       1.368964  
1 1 1 -28 10 11 o 96.57164 1.077220  93.55160       2.080022  92.40093       2.901790  94.76763       2.983084  -1.216209      2.154439  
1 1 1 -28 10 12 o 58.45559 0.9757645 34.19713       1.139267  32.97431       1.562813  35.58393       1.664307  -2.221802      1.951529  
1 1 1 -28 10 13 o 50.69603 0.8854317 25.76014       0.8977486 25.59914       1.267526  25.92220       1.271701  -0.3182411     1.770863  
1 1 1 -28 10 14 o 66.27083 0.8639039 44.11462       1.140322  42.80172       1.676356  45.24535       1.555712  -1.854546      1.727808  
1 1 1 -28 10 15 o 51.57547 0.7587814 26.56315       0.7676505 27.06392       1.215407  26.23081       0.9901401 0.7898216      1.517563  
1 1 1 -28 10 16 o 65.73881 0.7998767 43.27903       1.051356  44.06552       1.509119  42.53733       1.465524  1.158661       1.599753  
1 1 1 -28 10 17 o 47.78825 0.8747222 22.75524       0.7540513 22.58096       0.8896232 23.19992       1.421066  -0.5997276     1.749444  
1 1 1 -28 10 18 o 17.38993 1.009964  2.798497       0.2871669 2.642429       0.3196275 3.451902       0.6540020 -2.292326      2.019929  
1 1 1 -28 10 19 o 16.50253 1.372594  2.741856       0.4494102 2.307027       0.6249912 3.207399       0.6466880 -2.724815      2.745189  
1 1 1 -28 10 20 o 20.82233 1.173210  4.352473       0.4881456 4.611159       0.6975944 4.104272       0.6833115 1.215349       2.346421  
1 1 1 -28 10 21 o 12.76272 1.720811  1.701238       0.4224244 1.642250       0.6144463 1.754105       0.5816950 -0.4641571     3.441622  
1 1 1 -28 10 22 o 21.44315 1.008799  4.379495       0.3970808 5.202382       0.7506509 4.059766       0.4679063 2.632118       2.017599  
1 1 1 -28 10 23 o 28.26081 0.8778864 7.810924       0.4262616 8.391706       0.8775181 7.631558       0.4876614 1.306326       1.755773  
1 1 1 -28 10 24 f 38.92649 0.6995077 15.29202       0.5394464 14.17313       0.8020874 16.21613       0.7289334 -2.630203      1.399015  
1 1 1 -28 10 25 o 41.00885 0.6554369 16.78802       0.5367002 15.68825       0.7360066 18.03689       0.7843118 -2.859734      1.310874  
1 1 1 -28 10 26 o 51.26410 0.7116073 26.17216       0.7272022 24.43645       0.9810964 28.28841       1.083324  -3.747871      1.423215  
1 1 1 -28 10 27 o 50.65740 0.7076594 25.70693       0.7169400 25.49930       1.008956  25.91870       1.018930  -0.4130440     1.415319  
1 1 1 -28 10 28 o 35.62997 0.6455470 12.65452       0.4588633 13.61261       0.6786391 11.84758       0.6228108 2.472103       1.291094  
1 1 1 -28 10 29 o 63.36880 0.8031307 40.25466       1.017851  40.30954       1.444205  40.20049       1.434757  0.8502197E-01  1.606261  
1 1 1 -28 10 30 o 40.75946 0.7729648 16.51824       0.6048430 17.12285       1.016847  16.18719       0.7524256 1.120144       1.545930  
1 1 1 -28 10 31 o 94.12233 1.304670  88.74503       2.317123  90.50542       4.024362  87.87202       2.834024  1.185883       2.609341  
1 1 1 -28 10 32 o 32.99543 0.8373762 10.91425       0.5523915 11.05212       0.7938375 10.78482       0.7691466 0.4020844      1.674752  
1 1 1 -28 10 33 o 33.64426 0.8480048 11.30718       0.5693982 12.09782       0.8389460 10.63192       0.7753143 2.170647       1.696010  
1 1 1 -28 10 34 o 39.84701 0.8720192 15.88807       0.6937446 16.59546       1.018261  15.27528       0.9477374 1.647442       1.744038  
1 1 1 -28 10 35 o 46.06561 0.9214010 21.29344       0.8487380 20.74486       1.189214  21.86297       1.211696  -1.210365      1.842802  
1 1 1 -28 10 36 o 10.43670 1.424538  1.160360       0.2844296 1.339743       0.3749589 0.9172500      0.4365090 2.203835       2.849076  
1 1 1 -28 10 37 o 34.57234 0.7887563 11.67419       0.5263895 10.86475       0.6534728 13.17001       0.8883309 -3.301525      1.577513  
1 1 1 -28 10 38 o 20.72446 0.7977118 4.309506       0.3302132 4.291689       0.4788289 4.325665       0.4559918 -0.8518219E-01 1.595424  
1 1 1 -28 10 39 o 10.60878 1.370363  1.165321       0.2821257 0.9620500      0.3995527 1.367442       0.3984216 -2.084395      2.740727  
1 1 1 -28 10 40 o 12.69238 1.177962  1.618170       0.2934580 2.071784       0.4315171 1.227877       0.4002670 3.317755       2.355923  
1 1 1 -28 10 41 f 19.01680 0.8714262 3.633670       0.3310493 3.422371       0.4670662 3.846986       0.4692904 -1.116039      1.742852  
1 1 1 -28 10 42 o 20.86325 0.8460755 4.364132       0.3527785 4.546165       0.5107648 4.198078       0.4878330 0.8303280      1.692151  
1 1 1 -28 10 43 o 35.67806 0.7266448 12.74515       0.5178025 13.23211       0.7566456 12.31623       0.7101322 1.276283       1.453290  
1 1 1 -28 10 44 o 30.19583 0.7601427 9.085621       0.4574164 10.04805       0.6813555 8.295987       0.6171662 2.890308       1.520285  
1 1 1 -28 10 45 o 29.04917 0.7729983 8.454627       0.4479539 8.680262       0.6609761 8.262961       0.6091927 0.7093506      1.545997  
1 1 1 -28 10 46 f 17.73369 1.237300  3.187696       0.4281076 4.150365       0.6238935 2.331083       0.5885245 5.119471       2.474601  
1 1 1 -28 10 47 o 10.81537 1.838123  1.240704       0.3943249 1.059315       0.5472232 1.436622       0.5687168 -1.645347      3.676247  
1 1 1 -28 10 48 o 45.67970 1.016714  21.00672       0.9285734 20.29037       1.299363  21.75443       1.327490  -1.595509      2.033428  
1 1 1 -28 10 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 11 1  o 30.31483 1.039616  9.218764       0.6296628 9.818765       0.9017731 8.647912       0.8795962 1.928349       2.079232  
1 1 1 -28 11 2  o 22.38334 1.196625  5.032007       0.5353925 4.968215       0.7429889 5.100909       0.7721727 -0.2922478     2.393250  
1 1 1 -28 11 3  o 17.93839 1.341974  3.234463       0.4800225 3.204340       0.6527269 3.269943       0.7083932 -0.1741142     2.683948  
1 1 1 -28 11 4  o 27.64038 1.057658  7.648635       0.5827757 8.563060       0.8456792 6.821669       0.8042213 3.145044       2.115315  
1 1 1 -28 11 5  o 36.24853 1.021751  13.16278       0.7400141 12.72962       1.019309  13.64552       1.076072  -1.256783      2.043502  
1 1 1 -28 11 6  o 67.93008 1.220506  46.35826       1.658076  47.08989       2.356442  45.64082       2.333474  1.063446       2.441011  
1 1 1 -28 11 7  o 22.00343 1.179576  4.862849       0.5190577 4.834660       0.7371028 4.890578       0.7310514 -0.1278553     2.359152  
1 1 1 -28 11 8  o 52.27354 1.076261  27.41745       1.124889  27.18773       1.569811  27.65990       1.612722  -0.4465752     2.152521  
1 1 1 -28 11 9  o 30.00647 1.062276  9.058085       0.6357722 9.687785       0.8910535 8.405066       0.9074048 2.139290       2.124552  
1 1 1 -28 11 10 o 61.10100 1.154074  37.42687       1.408702  36.31746       1.937030  38.67235       2.052381  -1.912636      2.308147  
1 1 1 -28 11 11 o 39.56109 1.015572  15.57736       0.8003320 14.25496       1.075985  17.21508       1.197408  -3.727875      2.031144  
1 1 1 -28 11 12 o 22.31068 0.5443220 4.948293       0.2420259 5.416375       0.3609955 4.566106       0.3261963 1.903473       1.088644  
1 1 1 -28 11 13 o 63.59606 0.7792694 40.51040       0.9910342 41.07479       1.415921  39.96836       1.387577  0.8675041      1.558539  
1 1 1 -28 11 14 o 48.89545 0.6684126 23.88559       0.6527923 22.88433       0.8956243 25.02036       0.9534633 -2.180088      1.336825  
1 1 1 -28 11 15 o 63.07873 0.7785559 39.76338       0.9805816 41.56366       1.438151  38.19929       1.340497  2.658508       1.557112  
1 1 1 -28 11 16 o 86.17397 0.9844621 74.46440       1.696369  73.57068       2.370900  75.40182       2.428182  -1.056259      1.968924  
1 1 1 -28 11 17 o 40.95674 0.7033769 16.65911       0.5602452 17.39645       0.9140364 16.21540       0.7090515 1.425861       1.406754  
1 1 1 -28 11 18 o 65.62396 0.8032957 43.06730       1.052906  41.55891       1.444276  44.77831       1.538228  -2.444420      1.606591  
1 1 1 -28 11 19 o 43.57006 0.6484640 19.00847       0.5650564 18.90351       0.7954691 19.11537       0.8028021 -0.2425804     1.296928  
1 1 1 -28 11 20 o 38.77839 0.6254053 14.93788       0.4830186 16.44277       0.7242225 13.73214       0.6482562 3.489521       1.250811  
1 1 1 -28 11 21 o 28.86068 0.6024509 8.338256       0.3477168 8.214375       0.4884542 8.465535       0.4951050 -0.4346485     1.204902  
1 1 1 -28 11 22 f 15.17375 0.7793342 2.315495       0.2356068 2.504507       0.3295689 2.117923       0.3369505 1.274550       1.558668  
1 1 1 -28 11 23 o 14.54153 0.8197890 2.119240       0.2384044 2.089884       0.3350795 2.149336       0.3392691 -0.2040005     1.639578  
1 1 1 -28 11 24 o 24.31108 0.7404768 6.009812       0.3515128 6.391057       0.4592127 5.470304       0.5462739 1.901718       1.480954  
1 1 1 -28 11 25 o 9.936401 1.608755  0.8516772      0.2705523 0.6955905      0.3040665 1.444958       0.5928105 -3.569120      3.217510  
1 1 1 -28 11 26 o 28.89866 0.9667200 8.432240       0.5309041 8.550097       0.6580635 8.212521       0.8985135 0.6143894      1.933440  
1 1 1 -28 11 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 11 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 11 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 11 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 11 31 o 26.11557 1.859765  6.868814       0.9713766 6.868814       0.9713766 ?              ?         ?              ?         
1 1 1 -28 11 32 o 28.53815 1.293600  8.210283       0.7322012 8.276843       0.9769343 8.124972       1.106015  0.2905025      2.587200  
1 1 1 -28 11 33 o 14.21544 1.831906  2.086771       0.4957848 2.269992       0.7738336 1.959196       0.6457192 1.014632       3.663813  
1 1 1 -28 11 34 o 54.65379 1.146481  29.95954       1.251335  28.22989       1.716034  31.92363       1.828636  -3.358524      2.292963  
1 1 1 -28 11 35 o 7.624425 2.106274  0.2336896      0.4780692 0.7331210      0.7486503 -0.1101965     0.6212242 2.948129       4.212549  
1 1 1 -28 11 36 f 21.19543 1.404211  4.618114       0.5833608 4.002765       0.8791288 5.102233       0.7797722 -2.617805      2.808423  
1 1 1 -28 11 37 f 10.60192 2.248997  1.186968       0.5288481 0.7729167      0.8335243 1.465953       0.6841983 -2.303675      4.497994  
1 1 1 -28 11 38 o 34.78933 1.134143  12.17143       0.7868820 12.31373       1.160244  12.05023       1.070772  0.3605919      2.268286  
1 1 1 -28 11 39 o 17.29956 1.854256  3.351058       0.5746246 1.902831       0.8529800 4.554424       0.7775337 -7.896198      3.708511  
1 1 1 -28 11 40 o 26.52990 1.298783  6.985741       0.6833391 8.245866       1.046035  6.047628       0.9025407 4.106371       2.597566  
1 1 1 -28 11 41 o 26.61613 1.329386  7.126430       0.7053993 7.500256       1.049274  6.818152       0.9528528 1.255711       2.658771  
1 1 1 -28 11 42 o 65.82686 1.297453  43.74168       1.707418  44.87285       2.458955  42.68850       2.372664  1.635170       2.594906  
1 1 1 -28 11 43 o 24.26794 1.416256  5.915513       0.6836473 6.419841       1.034739  5.524820       0.9107352 1.804874       2.832513  
1 1 1 -28 11 44 f 9.644300 2.618767  0.6889228      0.6575607 0.6800537      1.239574  0.6923959      0.7756982 1.270912       5.237535  
1 1 1 -28 11 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 11 46 o 18.57890 2.997834  3.560732       1.113929  3.560732       1.113929  ?              ?         ?              ?         
1 1 1 -28 11 47 o 10.39528 2.565557  1.148677       0.5308439 1.148677       0.5308439 ?              ?         ?              ?         
1 1 1 -28 11 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 12 1  o 17.92768 1.410639  3.286965       0.4969037 3.890050       0.6917486 2.644012       0.7142473 3.479239       2.821278  
1 1 1 -28 12 2  o 41.53753 1.018634  17.19209       0.8422358 16.08214       1.126250  18.60041       1.268622  -3.012802      2.037268  
1 1 1 -28 12 3  o 26.72052 1.097068  7.165512       0.5847757 7.105288       0.7973306 7.235615       0.8602439 -0.2352314     2.194136  
1 1 1 -28 12 4  f 39.55904 1.016388  15.71040       0.8038355 16.17600       1.134982  15.24181       1.138617  1.181206       2.032776  
1 1 1 -28 12 5  o 43.07413 1.024493  18.62472       0.8823357 19.10051       1.246378  18.14674       1.249249  1.107479       2.048986  
1 1 1 -28 12 6  o 46.05085 1.039713  21.26952       0.9569763 20.89332       1.325415  21.67923       1.383169  -0.8461189     2.079425  
1 1 1 -28 12 7  o 71.10092 1.262593  50.77166       1.794414  52.38823       2.591430  49.28259       2.487151  2.168365       2.525185  
1 1 1 -28 12 8  o 61.20054 1.161385  37.61278       1.421335  38.48822       2.027938  36.76753       1.992668  1.400967       2.322770  
1 1 1 -28 12 9  o 30.01282 1.060845  9.046538       0.6363537 9.377523       0.8968164 8.710902       0.9030966 1.111338       2.121689  
1 1 1 -28 12 10 o 38.28320 1.021095  14.67400       0.7808955 14.03184       1.073190  15.39656       1.138398  -1.774666      2.042190  
1 1 1 -28 12 11 o 32.61597 1.049833  10.67964       0.6844811 11.07942       0.9686437 10.28092       0.9673625 1.223942       2.099666  
1 1 1 -28 12 12 o 61.04932 1.162646  37.15482       1.412568  34.75383       1.886754  40.21704       2.130778  -4.441528      2.325291  
1 1 1 -28 12 13 o 59.52177 0.7454050 35.31379       0.8844492 37.66821       1.317561  33.38265       1.193257  3.589237       1.490810  
1 1 1 -28 12 14 o 46.15299 0.6486233 21.22232       0.5968520 22.69045       0.8880160 20.01264       0.8060736 2.894814       1.297247  
1 1 1 -28 12 15 o 35.34344 0.5912267 12.50291       0.4178033 12.63171       0.5991638 12.38101       0.5828982 0.3535385      1.182453  
1 1 1 -28 12 16 f 57.98911 0.7407476 33.64075       0.8582104 34.70236       1.248760  32.69054       1.181423  1.728771       1.481495  
1 1 1 -28 12 17 f 68.59895 0.8315832 47.02271       1.138528  45.03840       1.550215  49.34639       1.677557  -3.127373      1.663166  
1 1 1 -28 12 18 o 23.26667 0.6186543 5.382459       0.2864692 5.794682       0.4319189 5.058704       0.3827754 1.577950       1.237309  
1 1 1 -28 12 19 o 58.87467 0.7561533 34.60979       0.8884923 32.92754       1.209448  36.58203       1.309549  -3.094379      1.512307  
1 1 1 -28 12 20 o 32.54187 0.6109406 10.59639       0.3974395 10.16060       0.5547186 11.05604       0.5697098 -1.374693      1.221881  
1 1 1 -28 12 21 f 54.49086 0.7246486 29.70657       0.7889836 30.67289       1.146682  28.83779       1.087270  1.678429       1.449297  
1 1 1 -28 12 22 o 48.49062 0.7982127 23.75468       0.7506926 22.77971       1.207358  24.36914       0.9584890 -1.664204      1.596425  
1 1 1 -28 12 23 o 42.61146 0.8138899 17.92790       0.6799235 19.54668       1.092922  16.90582       0.8684393 3.074776       1.627780  
1 1 1 -28 12 24 o 11.91138 1.308882  1.407191       0.2911060 2.153611       0.4533657 0.8835582      0.3797259 5.461352       2.617763  
1 1 1 -28 12 25 o 52.58321 0.9541381 27.73008       1.003135  26.91759       1.399954  28.58747       1.438110  -1.582924      1.908276  
1 1 1 -28 12 26 o 9.981034 1.835518  0.9467613      0.3202320 1.234018       0.6910815 0.8682169      0.3613701 1.756460       3.671036  
1 1 1 -28 12 27 o 42.21397 0.7680942 17.81355       0.6310959 17.65653       0.8030802 18.06708       1.020489  -0.4633865     1.536188  
1 1 1 -28 12 28 o 14.03272 0.9043438 1.993095       0.2459558 2.651573       0.3570523 1.398487       0.3392946 4.462668       1.808688  
1 1 1 -28 12 29 o 11.61537 1.019251  1.355294       0.2365089 1.346928       0.3421839 1.362947       0.3272630 -0.7116604E-01 2.038503  
1 1 1 -28 12 30 o 4.639574 1.361915  -0.1231938E-01 0.2204295 0.1999507      0.3136437 -0.2194981     0.3098595 1.537947       2.723830  
1 1 1 -28 12 31 o 13.18736 0.9703429 1.766009       0.2525456 1.464781       0.3620292 2.051538       0.3524695 -2.226056      1.940686  
1 1 1 -28 12 32 o 32.53629 0.6613622 10.56659       0.4294952 11.26014       0.6322951 9.972451       0.5852276 1.973999       1.322724  
1 1 1 -28 12 33 o 61.08757 0.7989488 37.40781       0.9758352 36.52612       1.360496  38.34204       1.400450  -1.481041      1.597898  
1 1 1 -28 12 34 o 27.16390 0.6961324 7.380757       0.3777323 7.712765       0.5510966 7.086571       0.5187572 1.148710       1.392265  
1 1 1 -28 12 35 o 67.52488 0.8576770 45.71730       1.157682  44.29802       1.606052  47.25233       1.670252  -2.177872      1.715354  
1 1 1 -28 12 36 o 76.41116 0.9272135 58.63037       1.416798  59.04778       2.023127  58.22865       1.984734  0.5297165      1.854427  
1 1 1 -28 12 37 o 25.81875 0.7399393 6.699142       0.3812419 6.362413       0.5480728 7.014820       0.5306634 -1.265751      1.479879  
1 1 1 -28 12 38 o 31.69177 0.7087990 10.07006       0.4486546 10.08089       0.6518048 10.06030       0.6184919 0.2804375E-01  1.417598  
1 1 1 -28 12 39 o 17.01977 1.306887  2.607066       0.3980931 2.267617       0.4574238 3.666894       0.8082566 -4.019578      2.613773  
1 1 1 -28 12 40 o 32.91007 0.7192607 10.85632       0.4731264 11.03114       0.6832821 10.69530       0.6557692 0.5062752      1.438521  
1 1 1 -28 12 41 o 23.94846 0.7916231 5.757015       0.3780520 5.185415       0.5278739 6.358920       0.5416860 -2.447702      1.583246  
1 1 1 -28 12 42 o 30.08905 0.7530500 9.084373       0.4529443 9.129999       0.6516804 9.041731       0.6299900 0.1430454      1.506100  
1 1 1 -28 12 43 o 65.74420 0.9401881 43.31329       1.216231  44.29100       1.908120  42.64426       1.578425  1.183640       1.880376  
1 1 1 -28 12 44 o 8.515942 1.968161  0.7260121      0.4002961 0.3594267      0.6464232 0.9540192      0.5098043 -1.985273      3.936323  
1 1 1 -28 12 45 o 36.27080 0.9934719 13.28376       0.7180226 12.72798       1.047888  13.77565       0.9858263 -1.459492      1.986944  
1 1 1 -28 12 46 o 23.42180 1.166899  5.690166       0.5299245 4.249873       0.7690313 6.992410       0.7312481 -5.865269      2.333799  
1 1 1 -28 12 47 o 40.62671 1.399505  0.000000       0.000000  ?              ?         16.61863       1.137146  ?              ?         
1 1 1 -28 13 1  o 75.05300 1.319352  56.70802       1.980330  56.96457       2.790818  56.44784       2.810504  0.3477631      2.638705  
1 1 1 -28 13 2  o 17.95052 1.450760  3.269522       0.5167124 3.468941       0.7023466 3.034243       0.7628850 1.222607       2.901519  
1 1 1 -28 13 3  o 37.57527 1.045498  14.17554       0.7847876 14.14049       1.083485  14.21422       1.138254  -0.9046173E-01 2.090995  
1 1 1 -28 13 4  o 23.54609 1.174837  5.560540       0.5525007 5.347377       0.7575148 5.802818       0.8075954 -0.9593563     2.349674  
1 1 1 -28 13 5  o 7.255179 2.012837  0.3180085      0.4251672 0.3147233      0.6178328 0.3209639      0.5859850 0.1162839      4.025675  
1 1 1 -28 13 6  o 24.75159 1.134507  6.115015       0.5596188 5.680128       0.7537121 6.649304       0.8354210 -1.945858      2.269013  
1 1 1 -28 13 7  o 44.32897 1.052085  19.71406       0.9320840 19.35832       1.289501  20.10329       1.348831  -0.8323135     2.104170  
1 1 1 -28 13 8  o 20.76591 1.278734  4.311575       0.5294896 3.971191       0.7170032 4.719858       0.7852668 -1.791599      2.557467  
1 1 1 -28 13 9  o 53.41908 1.106062  28.65714       1.181522  29.35347       1.679434  27.97475       1.662544  1.288132       2.212124  
1 1 1 -28 13 10 o 21.13982 1.236442  4.494888       0.5223196 4.541507       0.7260873 4.444890       0.7519335 0.2325096      2.472884  
1 1 1 -28 13 11 o 67.09743 1.231469  45.09600       1.648175  43.11916       2.234252  47.45603       2.441217  -3.199989      2.462937  
1 1 1 -28 13 12 o 24.02894 1.188630  5.804379       0.5694019 5.210227       0.7960922 6.426698       0.8147436 -2.528507      2.377260  
1 1 1 -28 13 13 o 41.70859 1.056017  17.39460       0.8791204 18.70000       1.292672  16.27131       1.199120  2.899170       2.112034  
1 1 1 -28 13 14 o 35.84431 1.061201  12.90596       0.7603281 13.15887       1.064434  12.64247       1.086436  0.7232628      2.122401  
1 1 1 -28 13 15 o 53.92232 0.7074578 29.10860       0.7626224 29.76486       1.098513  28.49805       1.059563  1.171200       1.414916  
1 1 1 -28 13 16 o 79.41458 0.9244837 62.68523       1.458532  58.59155       1.932096  68.10883       2.223898  -5.957893      1.848967  
1 1 1 -28 13 17 o 71.95030 0.8599280 51.87629       1.236896  50.92088       1.718602  52.90298       1.781569  -1.370468      1.719856  
1 1 1 -28 13 18 o 54.56980 0.7224182 29.66731       0.7858649 27.80702       1.060220  31.93566       1.170742  -3.772556      1.444836  
1 1 1 -28 13 19 f 30.59571 0.6688489 9.201158       0.3971061 10.08344       0.6578995 8.695483       0.4980701 2.254227       1.337698  
1 1 1 -28 13 20 o 56.76837 0.9775875 32.06224       1.104019  29.73838       1.471431  35.05558       1.669987  -4.657455      1.955175  
1 1 1 -28 13 21 o 13.04477 0.9530411 1.685641       0.2470364 1.928792       0.3753026 1.499750       0.3281503 1.638466       1.906082  
1 1 1 -28 13 22 f 36.67137 0.7874867 13.43604       0.5762276 14.10227       0.8508025 12.87146       0.7832058 1.670956       1.574973  
1 1 1 -28 13 23 o 52.71856 0.8335985 28.14310       0.8629296 29.50176       1.134439  26.27748       1.329336  3.079914       1.667197  
1 1 1 -28 13 24 o 41.73486 0.6771509 17.38620       0.5641423 18.52098       0.8293312 16.40889       0.7696436 2.524834       1.354302  
1 1 1 -28 13 25 o 40.69114 0.6630645 16.52691       0.5384693 17.49685       0.7938344 15.70029       0.7328387 2.201931       1.326129  
1 1 1 -28 13 26 o 18.12021 0.7816929 3.284147       0.2810328 3.348920       0.4270288 3.234659       0.3732572 0.3092842      1.563386  
1 1 1 -28 13 27 o 32.71711 0.6573481 10.63463       0.4281107 11.65621       0.6447479 9.829054       0.5725431 2.785442       1.314696  
1 1 1 -28 13 28 o 7.089839 1.526822  0.4841231      0.2348569 0.6571196      0.3713919 0.3688442      0.3031715 1.732726       3.053645  
1 1 1 -28 13 29 o 52.02624 0.7362877 27.12943       0.7660826 26.76943       1.082381  27.49079       1.084432  -0.6930351     1.472575  
1 1 1 -28 13 30 o 27.82566 0.6977156 7.791397       0.3863051 6.938903       0.5494001 8.625025       0.5432870 -3.030453      1.395431  
1 1 1 -28 13 31 o 39.58784 0.6811165 15.69784       0.5385293 14.58486       0.7522749 16.86775       0.7712711 -2.881214      1.362233  
1 1 1 -28 13 32 o 45.69842 0.7126625 20.91768       0.6508459 19.78683       0.9074672 22.11555       0.9339752 -2.544670      1.425325  
1 1 1 -28 13 33 o 18.50042 0.8566427 3.441591       0.3128078 3.394383       0.4812707 3.476121       0.4116074 -0.2313576     1.713285  
1 1 1 -28 13 34 o 52.26653 0.7540687 27.38606       0.7878809 27.68444       1.134232  27.10784       1.095254  0.5464134      1.508137  
1 1 1 -28 13 35 o 9.423552 1.533687  0.9174026      0.2781492 1.019244       0.4459113 0.8525375      0.3558704 0.8259783      3.067374  
1 1 1 -28 13 36 o 24.51255 0.7817104 6.103555       0.3780577 5.095875       0.5451726 7.037054       0.5247224 -3.962452      1.563421  
1 1 1 -28 13 37 o 23.18289 0.8017646 5.409840       0.3689818 5.247739       0.5520444 5.540736       0.4960702 -0.6405392     1.603529  
1 1 1 -28 13 38 o 26.48401 0.7776715 7.092917       0.4080057 6.547622       0.6058040 7.545591       0.5519616 -1.892378      1.555343  
1 1 1 -28 13 39 o 20.74234 1.733311  4.698540       0.6490178 2.925176       0.9548532 6.221378       0.8848398 -8.174353      3.466623  
1 1 1 -28 13 40 o 21.95535 0.8929039 4.977813       0.3812186 4.024372       0.5721432 5.739056       0.5112332 -3.916670      1.785808  
1 1 1 -28 13 41 f 44.31338 0.8068497 19.52514       0.6993712 20.61525       1.125224  18.83892       0.8927583 1.962868       1.613699  
1 1 1 -28 13 42 o 31.01908 0.9409528 9.728305       0.5725136 9.395509       0.8938488 9.959805       0.7455043 -0.9406223     1.881906  
1 1 1 -28 13 43 o 18.99293 1.221135  3.432354       0.4491709 4.941452       0.7371716 2.541234       0.5664719 6.270267       2.442271  
1 1 1 -28 13 44 o 8.699713 1.690679  0.7718156      0.3894403 -0.3560943     0.6397346 1.435889       0.4908748 -6.009195      3.381358  
1 1 1 -28 13 45 o 24.22748 1.098682  5.897751       0.5271387 6.069420       0.8088759 5.771019       0.6949909 0.5849686      2.197363  
1 1 1 -28 13 46 o 29.33787 1.373352  8.539233       0.7086810 9.107985       1.403335  8.344538       0.8210683 1.107258       2.746703  
1 1 1 -28 14 1  o 42.47650 1.076334  18.09233       0.9131726 19.44662       1.320847  16.85236       1.263878  3.045067       2.152669  
1 1 1 -28 14 2  f 55.82631 1.146333  31.32066       1.279208  31.14280       1.777592  31.51171       1.842290  -0.3200989     2.292665  
1 1 1 -28 14 3  o 36.92959 1.063540  13.69562       0.7853166 14.13961       1.117959  13.26311       1.103394  1.184597       2.127080  
1 1 1 -28 14 4  o 6.667108 1.988701  -0.2445185E-01 0.4640473 -0.3170229     0.6357429 0.3091947      0.6789052 -1.767988      3.977402  
1 1 1 -28 14 5  o 24.06792 1.212526  5.802167       0.5823313 6.363362       0.8524434 5.311116       0.7973919 2.176924       2.425051  
1 1 1 -28 14 6  o 8.885433 2.017908  0.6735055      0.4564133 1.292389       0.6456513 0.5533262E-01  0.6452807 4.379780       4.035816  
1 1 1 -28 14 7  o 18.45183 1.435143  3.447511       0.5269902 3.118253       0.7555630 3.759430       0.7353994 -1.741327      2.870286  
1 1 1 -28 14 8  o 46.78397 1.084618  21.82431       1.011127  24.23487       1.505959  19.84564       1.364397  4.670273       2.169236  
1 1 1 -28 14 9  o 26.40374 1.172454  7.015204       0.6180542 7.146862       0.8539889 6.870397       0.8956175 0.5300789      2.344907  
1 1 1 -28 14 10 o 50.36064 1.102396  25.47558       1.109873  25.37503       1.545750  25.58258       1.594583  -0.1988487     2.204793  
1 1 1 -28 14 11 o 16.89924 1.545713  2.890991       0.5191514 2.508683       0.7310289 3.279987       0.7373946 -2.280757      3.091426  
1 1 1 -28 14 12 f 45.07411 1.082560  20.32475       0.9736226 19.23683       1.322673  21.61141       1.438417  -2.617336      2.165120  
1 1 1 -28 14 13 o 27.61391 1.131621  7.663195       0.6248895 7.767607       0.8811855 7.557570       0.8862910 0.3810844      2.263242  
1 1 1 -28 14 14 o 14.18568 1.703645  2.057963       0.4661970 2.597429       0.6871358 1.597838       0.6345980 3.722550       3.407290  
1 1 1 -28 14 15 o 52.43988 1.116146  27.62938       1.170563  27.97292       1.658751  27.28858       1.652122  0.6515121      2.232292  
1 1 1 -28 14 16 o 35.38244 0.6563504 12.55446       0.4559022 12.46218       0.7154750 12.61753       0.5915455 -0.2304382     1.312701  
1 1 1 -28 14 17 o 54.06499 0.9260691 29.31118       1.000825  29.76256       1.443268  28.89307       1.389050  0.7973213      1.852138  
1 1 1 -28 14 18 o 40.01353 0.7771014 16.00716       0.6205339 16.63766       0.9144006 15.46892       0.8448545 1.453094       1.554203  
1 1 1 -28 14 19 o 42.63846 0.8129554 18.21876       0.6930770 17.65239       0.9697636 18.81009       0.9908957 -1.355236      1.625911  
1 1 1 -28 14 20 f 39.21172 0.7118402 15.43704       0.5492027 15.58403       0.7170258 15.22840       0.8542512 0.4667816      1.423680  
1 1 1 -28 14 21 o 48.69546 0.6893659 23.68694       0.6703078 22.52258       0.9169461 25.02331       0.9823462 -2.561497      1.378732  
1 1 1 -28 14 22 o 30.31250 0.6197065 9.142905       0.3744403 9.991656       0.5575903 8.445784       0.5053349 2.545349       1.239413  
1 1 1 -28 14 23 o 32.53442 0.6287993 10.60356       0.4090242 10.52507       0.5845713 10.67886       0.5725123 -0.2374344     1.257599  
1 1 1 -28 14 24 o 56.77841 0.7529445 32.25056       0.8539951 33.56823       1.245615  31.08182       1.173107  2.181637       1.505889  
1 1 1 -28 14 25 o 40.26094 0.6661037 16.23214       0.5360693 16.44224       0.7728970 16.03738       0.7441528 0.4999886      1.332207  
1 1 1 -28 14 26 o 29.25869 0.6619636 8.480268       0.3851132 9.546441       0.5836594 7.658176       0.5125145 3.219919       1.323927  
1 1 1 -28 14 27 o 21.65272 0.7159640 4.678271       0.3082395 4.879290       0.4655713 4.521393       0.4112905 0.8206062      1.431928  
1 1 1 -28 14 28 o 35.33292 0.6618056 12.40339       0.4650601 13.48684       0.7045590 11.56687       0.6190883 2.708092       1.323611  
1 1 1 -28 14 29 o 21.60535 0.7472772 4.713979       0.3195142 4.410373       0.4788535 4.957628       0.4289729 -1.272585      1.494554  
1 1 1 -28 14 30 o 18.93721 0.8126726 3.647343       0.3034774 3.171308       0.4481023 4.050685       0.4124720 -2.326750      1.625345  
1 1 1 -28 14 31 o 38.02430 0.6903380 14.39359       0.5227609 12.71916       0.7095269 16.38179       0.7731557 -4.808472      1.380676  
1 1 1 -28 14 32 o 58.50450 0.7881995 34.30370       0.9218578 33.21766       1.281503  35.46839       1.327100  -1.917217      1.576399  
1 1 1 -28 14 33 o 35.69532 0.7025810 12.75041       0.4999239 11.36781       0.6919786 14.25993       0.7230422 -4.047264      1.405162  
1 1 1 -28 14 34 o 29.76724 0.7130224 8.889537       0.4229549 8.816696       0.6239604 8.951460       0.5752960 -0.2326393     1.426045  
1 1 1 -28 14 35 o 25.99607 0.7456979 6.761862       0.3855640 6.927267       0.5794545 6.630446       0.5164993 0.5620365      1.491396  
1 1 1 -28 14 36 o 31.56446 0.7235336 10.02286       0.4553048 9.447294       0.6577771 10.55228       0.6308622 -1.754194      1.447067  
1 1 1 -28 14 37 o 33.58932 0.7305079 11.29834       0.4893538 11.54810       0.7230548 11.08726       0.6647210 0.6774788      1.461016  
1 1 1 -28 14 38 o 8.941612 1.649991  0.8535984      0.2973766 0.7364420      0.4626841 0.9360576      0.3881691 -0.9749088     3.299982  
1 1 1 -28 14 39 o 10.50111 2.389739  1.083892       0.5610598 1.348034       0.8953067 0.9130802      0.7199660 1.766506       4.779477  
1 1 1 -28 14 40 o 21.59062 0.9540089 4.832856       0.3951181 4.099285       0.6274348 5.314947       0.5086423 -2.839602      1.908018  
1 1 1 -28 14 41 o 29.01425 0.9480779 8.502875       0.5403239 8.268258       0.8415298 8.667442       0.7047921 -0.7171173     1.896156  
1 1 1 -28 14 42 o 27.95977 0.9877990 7.905819       0.5476577 7.552354       0.8194162 8.191175       0.7362514 -1.161806      1.975598  
1 1 1 -28 14 43 o 21.49692 1.108469  4.687379       0.4696580 4.499924       0.7204258 4.825930       0.6193644 -0.7863197     2.216937  
1 1 1 -28 14 44 o 24.61694 1.091887  6.258034       0.5244345 5.031846       0.7757730 7.290007       0.7116888 -4.603371      2.183775  
1 1 1 -28 14 45 o 6.885973 3.049699  0.000000       0.000000  ?              ?         -0.2392602     0.8339260 ?              ?         
1 1 1 -28 15 1  o 21.62333 1.392887  4.737447       0.5972155 5.461501       0.8463861 4.019506       0.8428057 3.333624       2.785774  
1 1 1 -28 15 2  o 29.46815 1.178993  8.712514       0.6927598 9.713338       1.004792  7.805737       0.9564176 3.228392       2.357987  
1 1 1 -28 15 3  o 29.84377 1.162625  8.945098       0.6933534 8.699754       0.9568403 9.216362       1.006114  -0.8571625     2.325249  
1 1 1 -28 15 4  o 37.72186 1.096923  14.17294       0.8237610 12.93277       1.103296  15.73520       1.238305  -3.693104      2.193845  
1 1 1 -28 15 5  o 5.830149 1.852571  -0.3308028     0.4530263 -0.5033695     0.6216137 -0.1353168     0.6616068 -0.9658666     3.705142  
1 1 1 -28 15 6  o 27.53837 1.169726  7.626965       0.6440691 7.535087       0.9181753 7.715969       0.9036998 -0.3308201     2.339451  
1 1 1 -28 15 7  o 44.98421 1.090490  20.32817       0.9807602 21.07674       1.396422  19.59946       1.377775  1.639145       2.180981  
1 1 1 -28 15 8  o 23.13147 1.272864  5.360942       0.5826199 6.521219       0.8552781 4.356359       0.7958283 4.669008       2.545727  
1 1 1 -28 15 9  o 66.43169 1.250036  44.39782       1.660623  45.41519       2.360254  43.40051       2.336872  1.512299       2.500072  
1 1 1 -28 15 10 o 42.17061 1.099522  17.85722       0.9269170 18.64383       1.327066  17.10789       1.295231  1.816277       2.199045  
1 1 1 -28 15 11 o 53.55514 1.143300  28.83002       1.224490  29.19131       1.729114  28.46657       1.734278  0.6774445      2.286600  
1 1 1 -28 15 12 o 38.52716 1.104547  14.90647       0.8508795 15.27153       1.220099  14.56082       1.187225  0.9173431      2.209094  
1 1 1 -28 15 13 o 40.30107 1.546816  0.000000       0.000000  ?              ?         16.31763       1.246767  ?              ?         
1 1 1 -28 15 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 15 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 15 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 15 17 o 44.37287 0.7265522 19.68272       0.6291907 19.51272       0.8044311 19.95060       1.009803  -0.4724655     1.453104  
1 1 1 -28 15 18 o 34.57353 0.6036090 11.96476       0.4172359 11.54175       0.5833558 12.40780       0.5970024 -1.251293      1.207218  
1 1 1 -28 15 19 o 13.64542 0.7402738 1.821581       0.1994468 2.167456       0.3138890 1.587382       0.2582910 2.119582       1.480548  
1 1 1 -28 15 20 o 70.29618 1.297911  49.57751       1.819869  47.43106       2.466680  52.14151       2.695940  -3.307129      2.595822  
1 1 1 -28 15 21 o 32.47094 0.6254189 10.56614       0.4059374 10.23242       0.5766117 10.89406       0.5715858 -1.019274      1.250838  
1 1 1 -28 15 22 o 44.92529 0.6752567 20.16098       0.6058168 18.91469       0.8315407 21.57080       0.8844101 -2.950912      1.350513  
1 1 1 -28 15 23 o 11.46000 0.9632170 1.291471       0.2176568 1.478273       0.3448002 1.167721       0.2806390 1.345808       1.926434  
1 1 1 -28 15 24 o 6.346832 1.411922  0.4059177      0.2013286 0.3046081      0.3206110 0.4718754      0.2586935 -0.7888222     2.823843  
1 1 1 -28 15 25 o 36.01743 0.6539016 12.97565       0.4701289 11.88319       0.6517687 14.16052       0.6787789 -3.158676      1.307803  
1 1 1 -28 15 26 o 28.79114 0.6582059 8.316448       0.3783285 8.096501       0.5473438 8.517670       0.5235253 -0.7339554     1.316412  
1 1 1 -28 15 27 o 40.68529 0.6789970 16.58987       0.5522730 15.96337       0.7776477 17.22740       0.7844607 -1.552643      1.357994  
1 1 1 -28 15 28 o 10.51620 1.242936  1.163917       0.2467346 0.9869410      0.3828376 1.289654       0.3226919 -1.623690      2.485872  
1 1 1 -28 15 29 o 5.888905 1.535769  0.2780020      0.2361337 0.2397797      0.3794229 0.3021651      0.3016760 0.7662487E-01  3.071537  
1 1 1 -28 15 30 o 49.80991 0.7293122 24.87293       0.7263886 24.17177       1.021383  25.59049       1.033258  -1.422604      1.458624  
1 1 1 -28 15 31 o 25.29119 0.7199197 6.404478       0.3621068 6.492601       0.5432760 6.334033       0.4857344 0.3061485      1.439839  
1 1 1 -28 15 32 o 26.79532 0.7166910 7.232808       0.3822431 6.672353       0.5531673 7.744978       0.5288022 -2.004663      1.433382  
1 1 1 -28 15 33 o 27.24987 0.7213249 7.460146       0.3918627 7.248556       0.5728802 7.646196       0.5371946 -0.7344456     1.442650  
1 1 1 -28 15 34 o 6.772615 1.649457  0.4278758      0.2707348 0.3147945      0.4327643 0.5005904      0.3470297 -0.5683789     3.298915  
1 1 1 -28 15 35 o 23.94472 0.7774100 5.789005       0.3685579 5.466818       0.5530441 6.046408       0.4943241 -1.219320      1.554820  
1 1 1 -28 15 36 f 43.68529 0.7275445 18.80923       0.6284043 21.34983       0.9834892 17.05637       0.8169105 4.889183       1.455089  
1 1 1 -28 15 37 o 39.48774 0.7279096 15.66974       0.5737008 14.58317       0.8138900 16.74278       0.8088048 -2.735344      1.455819  
1 1 1 -28 15 38 o 48.07040 0.8034374 23.18389       0.7614650 23.30409       1.181817  23.09857       0.9956936 0.1807175      1.606875  
1 1 1 -28 15 39 o 11.31933 4.618325  0.000000       0.000000  ?              ?         0.6589699      1.654504  ?              ?         
1 1 1 -28 15 40 o 22.40388 1.048988  5.133969       0.4613851 4.545661       0.6976402 5.591328       0.6151174 -2.353409      2.097977  
1 1 1 -28 15 41 o 49.48936 1.002246  24.67359       0.9914607 23.84698       1.406764  25.48940       1.397556  -1.661617      2.004493  
1 1 1 -28 15 42 o 19.24393 1.208231  3.878417       0.4471340 3.080411       0.6870246 4.464817       0.5889337 -3.625950      2.416462  
1 1 1 -28 15 43 o 51.59932 1.034267  26.72236       1.062795  27.84968       1.590516  25.81295       1.428537  1.932732       2.068535  
1 1 1 -28 15 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 16 1  o 17.17762 1.611413  2.985601       0.5534841 2.899882       0.7782558 3.073326       0.7873121 -0.5024815     3.222827  
1 1 1 -28 16 2  o 51.43549 1.142436  26.55701       1.172807  25.83220       1.599405  27.40001       1.724894  -1.501419      2.284872  
1 1 1 -28 16 3  o 28.11418 1.226843  7.866823       0.6855856 6.834168       0.9190781 9.162274       1.029403  -4.119682      2.453685  
1 1 1 -28 16 4  o 50.90736 1.142715  26.07060       1.162893  26.52538       1.628951  25.59794       1.660666  0.9163666      2.285431  
1 1 1 -28 16 5  o 56.06385 1.175774  31.41331       1.312662  29.57121       1.759500  33.72551       1.971267  -3.668007      2.351549  
1 1 1 -28 16 6  o 8.334688 2.167167  0.4764198      0.5054795 0.9440229      0.7115627 0.5865362E-04  0.7181954 2.863534       4.334333  
1 1 1 -28 16 7  f 39.15009 1.123568  15.36098       0.8783354 14.57461       1.201448  16.26374       1.287298  -2.143089      2.247135  
1 1 1 -28 16 8  o 20.18419 1.464563  4.159863       0.5812049 4.998946       0.8186060 3.306935       0.8253311 4.192846       2.929126  
1 1 1 -28 16 9  o 51.63847 1.143019  26.81122       1.180379  27.17992       1.668223  26.44155       1.670395  0.7153015      2.286039  
1 1 1 -28 16 10 f 47.91005 1.140975  23.07450       1.093197  23.47923       1.554855  22.67885       1.537322  0.8323746      2.281950  
1 1 1 -28 16 11 o 33.17834 1.690147  0.000000       0.000000  ?              ?         11.07303       1.121526  ?              ?         
1 1 1 -28 16 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 16 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 16 14 o 41.72500 1.575486  17.49914       1.314743  17.49914       1.314743  ?              ?         ?              ?         
1 1 1 -28 16 15 o 64.84245 1.257521  42.27320       1.628747  41.43237       2.238803  43.21860       2.373923  -1.352493      2.515041  
1 1 1 -28 16 16 o 40.13279 1.106025  16.17651       0.8868107 15.95066       1.222594  16.42726       1.288260  -0.5831375     2.212051  
1 1 1 -28 16 17 o 15.12258 1.872434  2.410608       0.5348469 1.431722       0.7384386 3.490810       0.7757127 -6.954626      3.744868  
1 1 1 -28 16 18 o 23.88945 0.5736111 5.616112       0.2716311 6.541208       0.4188052 4.944386       0.3568732 3.336857       1.147222  
1 1 1 -28 16 19 o 16.72684 0.6708446 2.850358       0.2205260 2.333301       0.3203781 3.315925       0.3040071 -2.938879      1.341689  
1 1 1 -28 16 20 o 31.40517 0.6110471 9.858042       0.3829980 10.18215       0.5635137 9.579792       0.5221322 0.9551659      1.222094  
1 1 1 -28 16 21 o 6.718841 1.334743  0.4567383      0.1841634 0.5344101      0.2911218 0.4049178      0.2377899 0.8983321      2.669486  
1 1 1 -28 16 22 o 29.98328 0.6267561 9.003695       0.3752312 9.045075       0.5470751 8.966933       0.5156336 0.1271534      1.253512  
1 1 1 -28 16 23 o 29.32039 0.6348000 8.549191       0.3699639 9.168924       0.5617917 8.074611       0.4916182 1.858770       1.269600  
1 1 1 -28 16 24 o 38.68585 0.6580722 14.95522       0.5082428 13.77955       0.6999665 16.26626       0.7391617 -3.209591      1.316144  
1 1 1 -28 16 25 o 28.79293 0.6481184 8.210164       0.3706375 9.145617       0.5664157 7.509689       0.4901401 2.832235       1.296237  
1 1 1 -28 16 26 o 7.457299 1.482757  0.5820119      0.2279014 0.5281551      0.3658530 0.6161628      0.2913311 -0.4139919     2.965514  
1 1 1 -28 16 27 o 41.31621 0.6820505 17.07537       0.5624633 17.62859       0.8268955 16.59897       0.7673271 1.238861       1.364101  
1 1 1 -28 16 28 f 23.88073 0.7160076 5.627944       0.3388264 6.391982       0.5244864 5.080697       0.4438826 2.735279       1.432015  
1 1 1 -28 16 29 o 46.07661 0.7097209 21.28768       0.6538625 21.12533       0.9332612 21.44422       0.9163725 -0.3481827     1.419442  
1 1 1 -28 16 30 o 40.34598 0.6914374 16.08727       0.5532240 18.12278       0.8528298 14.60843       0.7269210 4.339359       1.382875  
1 1 1 -28 16 31 o 63.86217 0.8317314 40.86896       1.061433  39.26129       1.465386  42.64346       1.539544  -2.636337      1.663463  
1 1 1 -28 16 32 o 18.40157 0.8641924 3.454804       0.3115719 3.077622       0.4755131 3.738569       0.4124449 -1.806465      1.728385  
1 1 1 -28 16 33 o 28.35448 0.7321745 8.138778       0.4113357 7.147329       0.5968602 9.035620       0.5676698 -3.334019      1.464349  
1 1 1 -28 16 34 o 31.34278 0.7150760 9.863451       0.4464694 9.727015       0.6590231 9.979190       0.6069878 -0.4098721     1.430152  
1 1 1 -28 16 35 o 67.88416 0.8746604 46.23708       1.186120  47.55988       1.728230  45.05913       1.630855  1.823273       1.749321  
1 1 1 -28 16 36 o 7.027330 1.514976  0.4705320      0.2866454 -0.2613479     0.4852412 0.8628210      0.3552555 -4.055670      3.029951  
1 1 1 -28 16 37 f 63.55332 1.054287  40.49094       1.315154  41.59592       2.081578  39.75679       1.696696  1.357605       2.108575  
1 1 1 -28 16 38 o 32.18896 0.9159912 10.44858       0.5852869 10.14311       0.8759757 10.69492       0.7866520 -0.8757133     1.831982  
1 1 1 -28 16 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 16 40 o 22.03331 1.086145  5.033592       0.4646244 4.104342       0.7031310 5.753843       0.6190306 -3.765610      2.172291  
1 1 1 -28 16 41 o 26.52068 0.9847291 7.071644       0.5152192 7.138408       0.7986154 7.024045       0.6743142 0.1854801      1.969458  
1 1 1 -28 16 42 o 48.60082 1.011142  23.77283       0.9789283 23.96954       1.453275  23.60943       1.324497  0.3383408      2.022284  
1 1 1 -28 17 1  o 37.79618 1.163051  14.31593       0.8768862 13.48547       1.188792  15.30704       1.298691  -2.387218      2.326102  
1 1 1 -28 17 2  o 20.34664 1.510130  4.163914       0.6097063 4.014303       0.8070156 4.362878       0.9306505 -0.8238602     3.020260  
1 1 1 -28 17 3  o 21.67019 1.420708  4.751675       0.6145216 4.989549       0.8584415 4.501649       0.8800924 1.131075       2.841415  
1 1 1 -28 17 4  o 29.01036 1.228594  8.382127       0.7087876 7.420933       0.9473324 9.604436       1.068286  -3.737864      2.457189  
1 1 1 -28 17 5  o 33.56467 1.187383  11.37257       0.7946634 11.88483       1.098722  10.81067       1.150728  1.610508       2.374766  
1 1 1 -28 17 6  o 23.09130 1.366976  5.359773       0.6281855 4.656009       0.8629470 6.153113       0.9162216 -3.229681      2.733953  
1 1 1 -28 17 7  o 29.66249 1.224545  8.877810       0.7247444 9.487267       1.018605  8.252946       1.031401  2.083160       2.449089  
1 1 1 -28 17 8  o 41.88269 1.458558  18.06878       1.140953  16.67603       1.967728  18.77419       1.400396  -2.634777      2.917115  
1 1 1 -28 17 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 17 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 17 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 17 12 o 53.31950 1.397218  28.86862       1.423109  29.34409       1.776175  28.01615       2.378314  1.376091       2.794437  
1 1 1 -28 17 13 o 36.43546 1.137657  13.34789       0.8285954 13.95691       1.182746  12.76089       1.161174  1.637409       2.275313  
1 1 1 -28 17 14 f 15.26895 1.798746  2.414848       0.5315604 2.795425       0.7531474 2.037103       0.7503402 2.709998       3.597491  
1 1 1 -28 17 15 o 38.04304 1.125636  14.55220       0.8563377 14.32864       1.199191  14.78482       1.223256  -0.5952110     2.251272  
1 1 1 -28 17 16 o 12.22939 1.915431  1.490637       0.5240691 2.853371       0.7672796 0.2989492      0.7175123 9.124800       3.830862  
1 1 1 -28 17 17 o 11.68848 2.110738  1.463060       0.5013162 1.144971       0.7339535 1.741245       0.6863725 -2.306489      4.221476  
1 1 1 -28 17 18 o 21.62229 1.399143  4.680362       0.6023965 5.143034       0.9049853 4.312265       0.8072090 1.898241       2.798286  
1 1 1 -28 17 19 o 15.25939 1.932305  2.399624       0.5704325 3.037737       0.8393882 1.852026       0.7775797 4.095842       3.864611  
1 1 1 -28 17 20 o 13.81150 1.490559  1.819351       0.2534005 2.152400       0.7739422 1.779361       0.2681826 0.9773731      2.981119  
1 1 1 -28 17 21 o 10.23811 1.749894  1.062997       0.2402144 1.039669       0.7565643 1.065612       0.2533224 -0.1310577     3.499789  
1 1 1 -28 17 22 o 18.06510 0.7173288 3.318264       0.2552058 2.923530       0.3809938 3.639521       0.3437099 -1.986345      1.434658  
1 1 1 -28 17 23 o 24.59733 0.6488349 5.991943       0.3171337 6.715383       0.4830620 5.443956       0.4204234 2.577312       1.297670  
1 1 1 -28 17 24 o 32.16586 0.6485642 10.35802       0.4164067 10.52291       0.6104401 10.21452       0.5694685 0.4746933      1.297128  
1 1 1 -28 17 25 f 28.34991 0.6541874 7.886409       0.3665223 9.189754       0.5749146 6.993953       0.4757374 3.861189       1.308375  
1 1 1 -28 17 26 f 20.44386 0.7146842 4.114661       0.2888249 4.688454       0.4525015 3.720177       0.3751948 2.358265       1.429368  
1 1 1 -28 17 27 o 14.08963 0.9407024 1.899116       0.2583951 2.608769       0.4185193 1.461973       0.3284765 4.054296       1.881405  
1 1 1 -28 17 28 o 20.72842 0.7705113 4.369522       0.3149640 3.798030       0.4649052 4.854352       0.4282072 -2.553234      1.541023  
1 1 1 -28 17 29 o 53.81980 0.7635131 28.92933       0.8197365 30.87323       1.213591  27.29823       1.111668  3.306198       1.527026  
1 1 1 -28 17 30 o 21.13243 0.7819822 4.517002       0.3261966 4.231548       0.4940046 4.737681       0.4343541 -1.206718      1.563964  
1 1 1 -28 17 31 o 18.79856 0.8399312 3.505802       0.3112742 3.789866       0.4904224 3.314164       0.4028118 1.250536       1.679862  
1 1 1 -28 17 32 o 16.78673 0.9122714 2.842554       0.3012502 2.769360       0.4672450 2.894625       0.3940980 -0.3868427     1.824543  
1 1 1 -28 17 33 o 8.502285 1.576352  0.7202118      0.2664981 0.9630069      0.4383682 0.5778737      0.3356445 2.085670       3.152704  
1 1 1 -28 17 34 o 37.96458 0.8107648 13.97811       0.5822305 15.98042       1.031290  13.04132       0.7054020 3.812180       1.621530  
1 1 1 -28 17 35 o 7.138915 1.725820  0.4809641      0.3110135 0.9321437E-01  0.5390226 0.6744815      0.3807951 -1.799792      3.451639  
1 1 1 -28 17 36 o 26.54492 0.9167613 7.051761       0.4802969 7.281328       0.7472442 6.890152       0.6269624 0.7118568      1.833523  
1 1 1 -28 17 37 o 35.88385 0.8992868 12.94241       0.6422932 12.98023       0.9569485 12.91140       0.8664574 0.7679749E-01  1.798574  
1 1 1 -28 17 38 o 11.42215 1.654109  1.466974       0.3572097 0.9597821      0.5800741 1.776793       0.4533681 -3.679237      3.308218  
1 1 1 -28 17 39 o 13.03617 2.528187  1.793173       0.6356333 1.793173       0.6356333 ?              ?         ?              ?         
1 1 1 -28 17 40 o 16.53551 1.271410  2.651175       0.4065445 3.210854       0.6893396 2.352693       0.5034114 2.537010       2.542820  
1 1 1 -28 17 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 18 1  o 40.46004 1.175571  16.43298       0.9478951 15.90238       1.279336  17.07880       1.411430  -1.425880      2.351142  
1 1 1 -28 18 2  o 30.95171 1.245069  9.649449       0.7705176 9.362566       1.075895  9.951517       1.104001  -0.9451790     2.490137  
1 1 1 -28 18 3  o 34.67375 1.207732  12.08528       0.8366612 11.47109       1.153502  12.76711       1.215355  -1.855652      2.415465  
1 1 1 -28 18 4  o 19.34517 1.618627  3.797108       0.6250812 3.914588       0.8668799 3.669866       0.9021727 0.6425858      3.237254  
1 1 1 -28 18 5  f 23.44454 1.416698  5.539241       0.6634084 5.174052       0.9159940 5.942123       0.9621059 -1.626545      2.833395  
1 1 1 -28 18 6  o 17.67187 2.450937  0.000000       0.000000  ?              ?         3.169713       0.8662528 ?              ?         
1 1 1 -28 18 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 18 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 18 9  f 42.20454 1.653465  17.93338       1.395675  17.93338       1.395675  ?              ?         ?              ?         
1 1 1 -28 18 10 f 18.98811 1.602024  3.648717       0.6066194 3.283554       0.8441868 4.038590       0.8722817 -1.980291      3.204048  
1 1 1 -28 18 11 o 35.92953 1.167055  12.96899       0.8368775 14.20946       1.211721  11.83762       1.157207  3.289524       2.334110  
1 1 1 -28 18 12 o 18.67782 1.603740  3.553173       0.5931019 4.141368       0.8413621 2.972163       0.8362072 3.128490       3.207479  
1 1 1 -28 18 13 o 41.35709 1.147709  17.22025       0.9490799 17.54786       1.336848  16.88735       1.347620  0.8007126      2.295417  
1 1 1 -28 18 14 o 40.58499 1.155494  16.56487       0.9370704 16.22769       1.293114  16.93775       1.359838  -0.8612251     2.310989  
1 1 1 -28 18 15 o 21.71836 1.437497  4.774190       0.6201074 5.497946       0.8876749 4.084342       0.8666323 3.249113       2.874994  
1 1 1 -28 18 16 o 21.52815 1.420160  4.680919       0.6114442 4.623419       0.8614622 4.739296       0.8680003 -0.2674942     2.840320  
1 1 1 -28 18 17 o 33.86070 1.164044  11.52297       0.7876254 12.10926       1.141458  10.99012       1.088191  1.641624       2.328087  
1 1 1 -28 18 18 o 35.92479 1.179346  12.99625       0.8472459 13.24792       1.199048  12.74530       1.197327  0.6991844      2.358693  
1 1 1 -28 18 19 o 27.87357 0.5727256 7.630455       0.3160392 8.952873       0.4907410 6.693329       0.4131112 4.045353       1.145451  
1 1 1 -28 18 20 o 38.23615 0.6341900 14.64889       0.4848799 14.67451       0.6930726 14.62434       0.6786037 0.6398010E-01  1.268380  
1 1 1 -28 18 21 o 16.25655 0.7012842 2.634182       0.2266091 2.779875       0.3434287 2.521832       0.3015813 0.7884550      1.402568  
1 1 1 -28 18 22 o 34.48814 0.6365519 11.92213       0.4387698 11.38032       0.6189612 12.46941       0.6220790 -1.578575      1.273104  
1 1 1 -28 18 23 f 22.41318 0.6536754 5.031784       0.2923945 5.075268       0.4285494 4.993910       0.3999473 0.1781101      1.307351  
1 1 1 -28 18 24 o 15.02832 0.8454092 2.362001       0.2427842 1.643249       0.3555773 2.989733       0.3323009 -4.483304      1.690818  
1 1 1 -28 18 25 o 23.35965 0.6812006 5.461675       0.3174011 5.583640       0.4684464 5.358160       0.4315643 0.4778671      1.362401  
1 1 1 -28 18 26 o 31.22969 0.7372444 9.602992       0.4525512 8.882562       0.5798724 10.72545       0.7238037 -2.929850      1.474489  
1 1 1 -28 18 27 o 18.95642 1.227461  3.585854       0.3848243 3.556529       0.4347494 3.691991       0.8270811 -0.2656937     2.454922  
1 1 1 -28 18 28 f 43.10715 0.9889299 19.16598       0.7615715 19.80171       0.9028278 17.59765       1.418022  2.654449       1.977860  
1 1 1 -28 18 29 o 30.64402 1.039664  9.576347       0.5503648 9.706323       0.6371528 9.194349       1.092306  0.9279175      2.079328  
1 1 1 -28 18 30 o 49.99327 1.017805  25.66955       0.9297050 26.48386       1.118428  23.84861       1.672484  2.753277       2.035610  
1 1 1 -28 18 31 o 30.03662 1.304293  9.129976       0.7801411 10.21989       1.113677  8.079813       1.093180  3.556494       2.608586  
1 1 1 -28 18 32 o 55.74691 1.364310  31.49753       1.509764  30.93591       2.266666  31.94539       2.024119  -0.9784203     2.728620  
1 1 1 -28 18 33 o 20.36542 2.708252  5.840243       0.6545683 6.255998       0.6959395 2.652000       1.927208  9.141145       5.416504  
1 1 1 -28 18 34 o 43.51413 1.353261  19.04662       1.177719  19.04662       1.177719  ?              ?         ?              ?         
1 1 1 -28 18 35 o 34.12609 1.329700  11.71462       0.9075488 11.71462       0.9075488 ?              ?         ?              ?         
1 1 1 -28 18 36 o 14.51540 2.037439  2.137683       0.5914844 2.137683       0.5914844 ?              ?         ?              ?         
1 1 1 -28 18 37 f 26.78930 1.094884  7.091541       0.5763913 6.507382       0.7376103 8.007662       0.9237159 -2.748970      2.189768  
1 1 1 -28 18 38 o 7.528523 1.866527  0.5213290      0.3526222 0.2768329      0.5759556 0.6679242      0.4459773 -1.116697      3.733053  
1 1 1 -28 18 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 19 1  f 38.70945 1.212126  15.09415       0.9380056 14.62094       1.304042  15.60149       1.350244  -1.255493      2.424252  
1 1 1 -28 19 2  o 33.35860 1.239864  11.16654       0.8246740 10.53789       1.114234  11.92806       1.226340  -2.056622      2.479728  
1 1 1 -28 19 3  o 32.41904 1.283339  10.59660       0.8295090 11.76449       1.192626  9.502173       1.154509  3.479847       2.566678  
1 1 1 -28 19 4  o 15.18856 3.042678  0.000000       0.000000  ?              ?         2.442163       0.8916616 ?              ?         
1 1 1 -28 19 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 19 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 19 7  o 38.47005 1.686377  14.90751       1.297500  14.90751       1.297500  ?              ?         ?              ?         
1 1 1 -28 19 8  o 39.96370 1.189852  15.98203       0.9469128 15.01967       1.269246  17.18998       1.422010  -2.682541      2.379705  
1 1 1 -28 19 9  o 41.21061 1.185218  17.07622       0.9759693 16.45378       1.345378  17.76760       1.417937  -1.578590      2.370435  
1 1 1 -28 19 10 o 32.55782 1.219331  10.66488       0.7924421 11.63027       1.142482  9.769816       1.100085  2.847910       2.438661  
1 1 1 -28 19 11 o 44.42250 1.183758  19.85457       1.050999  20.90516       1.510161  18.86777       1.463605  2.283340       2.367517  
1 1 1 -28 19 12 o 46.33739 1.186413  21.62117       1.099295  21.46787       1.537476  21.78152       1.572388  -0.3310280     2.372825  
1 1 1 -28 19 13 o 28.86071 1.283383  8.399376       0.7407057 8.253635       1.047170  8.545310       1.047862  -0.5051537     2.566765  
1 1 1 -28 19 14 o 23.97447 1.398812  5.798037       0.6700438 5.445322       0.9318380 6.175644       0.9641581 -1.515022      2.797624  
1 1 1 -28 19 15 o 40.01299 1.174596  16.10076       0.9386550 15.73209       1.287925  16.51844       1.370872  -0.9650879     2.349192  
1 1 1 -28 19 16 o 30.52080 1.243948  9.253807       0.7532992 7.893794       1.003053  11.01317       1.140854  -5.079294      2.487895  
1 1 1 -28 19 17 o 33.86126 1.220960  11.49322       0.8246751 10.64715       1.119304  12.49786       1.219684  -2.710449      2.441920  
1 1 1 -28 19 18 o 40.23831 1.187005  16.29675       0.9541027 16.05460       1.313219  16.56748       1.388539  -0.6208458     2.374010  
1 1 1 -28 19 19 f 22.75059 1.517832  5.250464       0.6777546 6.630292       0.9846641 4.008186       0.9342978 5.748718       3.035664  
1 1 1 -28 19 20 o 24.49905 0.5798061 6.016914       0.2832023 5.414110       0.3967876 6.642873       0.4043362 -2.506948      1.159612  
1 1 1 -28 19 21 o 39.42978 0.6496262 15.57903       0.5121342 15.04215       0.7186362 16.13307       0.7300326 -1.381943      1.299252  
1 1 1 -28 19 22 o 13.43951 0.7990463 1.838375       0.2108994 1.650632       0.3203382 1.982008       0.2801909 -1.239059      1.598093  
1 1 1 -28 19 23 o 7.892390 1.228689  0.6794363      0.1894255 0.4667520      0.3025850 0.8165076      0.2429143 -2.241501      2.457378  
1 1 1 -28 19 24 o 19.50823 0.7089587 3.830364       0.2740632 3.707700       0.4130574 3.926833       0.3663080 -0.5682297     1.417917  
1 1 1 -28 19 25 o 37.57110 0.6696877 14.15758       0.5028005 13.99949       0.7236778 14.30511       0.6990936 -0.4100304     1.339375  
1 1 1 -28 19 26 o 29.58710 0.6674753 8.747633       0.3931389 9.067273       0.5892215 8.491158       0.5278003 0.9650974      1.334951  
1 1 1 -28 19 27 o 50.47170 0.7424926 25.51896       0.7483118 26.25888       1.095231  24.87111       1.024820  1.363438       1.484985  
1 1 1 -28 19 28 o 33.72468 0.7504027 11.34692       0.4909870 11.68768       0.8034782 11.14385       0.6202688 0.7757111      1.500805  
1 1 1 -28 19 29 o 51.45662 0.8782332 25.35234       0.8427476 30.06922       1.546184  23.35882       1.005181  6.415310       1.756466  
1 1 1 -28 19 30 o 31.73694 0.8163137 10.14809       0.5125765 9.871593       0.7785354 10.35964       0.6810012 -0.7863979     1.632627  
1 1 1 -28 19 31 o 36.55283 0.8606334 13.21786       0.6211913 14.69024       0.9760934 12.21561       0.8053252 3.351883       1.721267  
1 1 1 -28 19 32 o 8.928207 1.702147  0.8257537      0.3028153 0.8925989      0.5004082 0.7871332      0.3803632 0.5799618      3.404294  
1 1 1 -28 19 33 o 37.48598 0.8734860 14.08343       0.6516784 14.52911       0.9771640 13.72641       0.8745715 1.049149       1.746972  
1 1 1 -28 19 34 o 63.98941 1.115622  41.31305       1.427590  40.71582       2.023203  41.90524       2.014657  -0.9317856     2.231244  
1 1 1 -28 19 35 o 26.58572 0.9172102 7.052725       0.4792435 7.411106       0.7591265 6.815242       0.6179550 1.088434       1.834420  
1 1 1 -28 19 36 o 38.48920 0.9045265 14.88987       0.6922755 14.97201       1.037386  14.82392       0.9295219 0.1685982      1.809053  
1 1 1 -28 19 37 o 69.96794 1.518855  48.91854       1.925038  51.77152       3.628089  47.80061       2.271092  2.327209       3.037709  
1 1 1 -28 20 1  o 44.05923 1.234860  19.45969       1.083365  18.23479       1.451435  21.00059       1.627928  -3.091629      2.469719  
1 1 1 -28 20 2  o 46.46560 1.760098  0.000000       0.000000  ?              ?         21.78807       1.635680  ?              ?         
1 1 1 -28 20 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 20 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 20 5  o 18.49007 2.679166  3.488178       0.9907594 3.488178       0.9907594 ?              ?         ?              ?         
1 1 1 -28 20 6  f 64.82444 1.321660  42.36182       1.711082  41.12405       2.345916  43.76890       2.501215  -1.999088      2.643320  
1 1 1 -28 20 7  o 21.15476 1.651217  4.557030       0.6965126 4.828228       0.9695491 4.267808       1.001251  1.334957       3.302434  
1 1 1 -28 20 8  o 65.00574 1.314886  42.49394       1.704030  40.62385       2.301592  44.76256       2.535006  -3.122402      2.629772  
1 1 1 -28 20 9  o 16.82852 1.961362  2.946060       0.6395819 2.500875       0.8988097 3.402711       0.9103104 -2.920072      3.922724  
1 1 1 -28 20 10 o 47.36849 1.225699  22.59026       1.160037  21.85225       1.597561  23.41339       1.687184  -1.626175      2.451399  
1 1 1 -28 20 11 o 30.34609 1.316756  9.299397       0.7990353 9.425554       1.125288  9.171101       1.134785  0.4217186      2.633512  
1 1 1 -28 20 12 o 32.67857 1.287850  10.68134       0.8359647 9.087658       1.129677  12.61044       1.242880  -5.361410      2.575701  
1 1 1 -28 20 13 o 31.55466 1.277994  10.04650       0.8064814 9.900048       1.133813  10.19648       1.147382  -0.4662952     2.555989  
1 1 1 -28 20 14 o 14.05279 2.161372  2.111091       0.5913926 1.840857       0.8470494 2.368096       0.8260565 -1.863782      4.322743  
1 1 1 -28 20 15 o 60.51838 1.276282  36.73027       1.538480  34.54348       2.065129  39.45756       2.306267  -3.998959      2.552564  
1 1 1 -28 20 16 o 41.32187 1.217917  17.16633       1.004872  16.33426       1.373792  18.12379       1.473667  -2.141182      2.435833  
1 1 1 -28 20 17 o 29.31976 1.295848  8.661683       0.7587153 8.016399       1.050559  9.365167       1.096912  -2.288149      2.591695  
1 1 1 -28 20 18 o 63.58735 1.289923  40.74193       1.638385  39.46700       2.249490  42.18237       2.391036  -2.098709      2.579846  
1 1 1 -28 20 19 o 12.03502 2.064320  1.378171       0.5915867 2.749533       0.8592324 0.1421795      0.8157222 8.776734       4.128640  
1 1 1 -28 20 20 o 14.17932 1.650620  2.271339       0.2369054 2.307395       0.2470270 1.858202       0.8361865 1.992895       3.301240  
1 1 1 -28 20 21 o 9.781500 0.8520930 0.9144992      0.1623791 1.264837       0.2629185 0.6984672      0.2064603 2.885259       1.704186  
1 1 1 -28 20 22 f 10.48714 0.8966060 1.118922       0.1829687 1.041102       0.2890803 1.170932       0.2363309 -0.6289034     1.793212  
1 1 1 -28 20 23 o 22.45186 0.6546039 5.038946       0.2927827 5.219264       0.4368734 4.891927       0.3944791 0.7228889      1.309208  
1 1 1 -28 20 24 o 22.86808 0.6979937 5.184647       0.3130416 5.547673       0.5009866 4.952120       0.4009526 1.286564       1.395987  
1 1 1 -28 20 25 o 44.56990 0.7890126 19.92399       0.6845700 20.02394       1.103919  19.86153       0.8726177 0.1418304      1.578025  
1 1 1 -28 20 26 o 34.88389 0.7672732 12.14898       0.5295259 12.64055       0.8177338 11.79401       0.6948974 1.192616       1.534546  
1 1 1 -28 20 27 o 24.51405 0.7834577 6.052943       0.3818836 5.820341       0.5651541 6.248384       0.5180455 -0.8812141     1.566915  
1 1 1 -28 20 28 f 41.99098 0.8483101 17.54007       0.7071152 19.09795       1.082813  16.38171       0.9336986 3.205688       1.696620  
1 1 1 -28 20 29 o 24.71706 0.8495782 6.193231       0.4151269 5.704397       0.6212768 6.587516       0.5579690 -1.798819      1.699156  
1 1 1 -28 20 30 o 20.64160 0.9066580 4.163628       0.3673603 4.920205       0.5931579 3.692854       0.4678968 2.945843       1.813316  
1 1 1 -28 20 31 o 10.46401 1.516021  1.161632       0.3006322 1.031670       0.4948969 1.237635       0.3784646 -1.208305      3.032043  
1 1 1 -28 20 32 o 8.106858 1.705764  0.6422297      0.2890712 0.8537835      0.4828038 0.5240125      0.3609114 1.815645       3.411528  
1 1 1 -28 20 33 o 8.168942 1.741427  0.6679280      0.2932224 0.7443577      0.5176227 0.6318125      0.3558196 0.7835488      3.482854  
1 1 1 -28 20 34 o 41.79412 0.8990344 17.48111       0.7468010 18.29485       1.130883  16.85183       0.9944877 1.696167       1.798069  
1 1 1 -28 20 35 o 45.55701 1.873536  0.000000       0.000000  ?              ?         21.01823       1.707054  ?              ?         
1 1 1 -28 21 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 21 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 21 3  o 50.51204 1.759240  25.76128       1.777256  25.76128       1.777256  ?              ?         ?              ?         
1 1 1 -28 21 4  f 50.47152 1.260349  25.72976       1.272106  26.15304       1.799322  25.30677       1.798737  0.8381958      2.520697  
1 1 1 -28 21 5  o 59.54840 1.298586  35.76250       1.544316  34.50706       2.115561  37.19463       2.259528  -2.214836      2.597171  
1 1 1 -28 21 6  o 30.46522 1.351615  9.353257       0.8215464 8.903937       1.115376  9.886115       1.214645  -1.581961      2.703230  
1 1 1 -28 21 7  o 99.42441 1.702466  100.3338       3.376586  96.42299       4.581624  104.9833       4.995617  -4.148018      3.404932  
1 1 1 -28 21 8  o 29.87850 1.365316  8.993772       0.8140656 8.269488       1.113196  9.826349       1.193521  -2.581102      2.730633  
1 1 1 -28 21 9  o 45.25568 1.239870  20.63767       1.119896  20.11617       1.527624  21.24358       1.646606  -1.213276      2.479740  
1 1 1 -28 21 10 o 26.00025 1.426116  6.850522       0.7408826 7.023298       1.034364  6.668493       1.061703  0.6907921      2.852232  
1 1 1 -28 21 11 o 41.21198 1.244929  17.07391       1.023337  16.21265       1.386250  18.10531       1.517009  -2.260929      2.489859  
1 1 1 -28 21 12 f 24.89596 1.486413  6.216928       0.7355037 5.366662       0.9890589 7.268824       1.100098  -3.784521      2.972826  
1 1 1 -28 21 13 f 7.410954 2.184816  -0.7530989E-02 0.5685610 -0.5236652     0.7991554 0.5214886      0.8090694 -2.369065      4.369632  
1 1 1 -28 21 14 o 32.49153 1.306844  10.66834       0.8492169 10.59912       1.200112  10.73777       1.201838  -0.2128754     2.613689  
1 1 1 -28 21 15 o 16.52138 2.012319  2.860081       0.6305695 4.042297       0.9272111 1.842838       0.8600872 6.834291       4.024638  
1 1 1 -28 21 16 f 40.80873 1.241496  16.76790       1.011869  15.78072       1.389921  17.88106       1.475949  -2.549706      2.482992  
1 1 1 -28 21 17 o 20.83701 1.647881  4.402072       0.6856365 4.710771       1.002911  4.131194       0.9394686 1.367409       3.295762  
1 1 1 -28 21 18 o 29.24787 1.670883  8.239422       0.9211571 10.11237       1.662060  7.409052       1.106673  4.413540       3.341766  
1 1 1 -28 21 19 o 32.82991 1.592199  10.66462       0.9700153 11.72078       1.767843  10.20966       1.160278  2.087791       3.184397  
1 1 1 -28 21 20 o 17.06751 2.629721  0.000000       0.000000  ?              ?         2.976133       0.8976558 ?              ?         
1 1 1 -28 21 21 o 25.87238 0.6140510 6.725344       0.3153576 6.574063       0.4730592 6.846346       0.4230802 -0.5329475     1.228102  
1 1 1 -28 21 22 o 12.39874 0.7830964 1.438308       0.1867469 2.162759       0.3105045 1.027757       0.2337476 4.563933       1.566193  
1 1 1 -28 21 23 o 19.81435 0.9300563 0.000000       0.000000  ?              ?         3.936805       0.3685693 ?              ?         
1 1 1 -28 21 24 f 13.71591 0.8705133 1.883192       0.2348720 1.929820       0.3689906 1.851431       0.3045319 0.2730694      1.741027  
1 1 1 -28 21 25 o 32.87064 0.7572487 10.83432       0.4962787 10.98041       0.7334502 10.71096       0.6740007 0.3994751      1.514497  
1 1 1 -28 21 26 o 24.60688 0.7612414 6.107950       0.3721875 5.771837       0.5495644 6.392723       0.5058535 -1.269432      1.522483  
1 1 1 -28 21 27 f 11.67344 1.163146  1.450710       0.2515742 1.160808       0.3949316 1.648676       0.3263560 -2.261804      2.326292  
1 1 1 -28 21 28 o 28.91148 0.7875280 8.438025       0.4529276 7.830829       0.6596565 8.979593       0.6229879 -1.993910      1.575056  
1 1 1 -28 21 29 o 25.61153 0.8069124 6.520159       0.4079526 7.008794       0.6390482 6.184062       0.5299977 1.587967       1.613825  
1 1 1 -28 21 30 o 29.86195 0.8231388 8.996964       0.4883071 8.590041       0.7243026 9.336020       0.6611512 -1.261745      1.646278  
1 1 1 -28 21 31 o 13.15758 1.200705  1.725107       0.3047693 1.836342       0.5092937 1.663052       0.3803979 0.6207409      2.401409  
1 1 1 -28 21 32 o 6.808951 1.932714  0.1957073      0.3118213 0.4793948      0.7709012 0.1402133      0.3409587 3.032979       3.865429  
1 1 1 -28 22 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 22 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 22 3  o 21.59338 4.663463  0.000000       0.000000  ?              ?         5.165861       1.956789  ?              ?         
1 1 1 -28 22 4  o 27.94288 3.599633  0.000000       0.000000  ?              ?         8.140533       2.011682  ?              ?         
1 1 1 -28 22 5  o 27.81078 3.573406  0.000000       0.000000  ?              ?         8.055576       1.987584  ?              ?         
1 1 1 -28 22 6  o 71.89802 2.018103  0.000000       0.000000  ?              ?         52.37199       2.901951  ?              ?         
1 1 1 -28 22 7  f 38.44390 1.889707  0.000000       0.000000  ?              ?         14.94823       1.452954  ?              ?         
1 1 1 -28 22 8  o 48.58258 1.836760  0.000000       0.000000  ?              ?         23.85597       1.784691  ?              ?         
1 1 1 -28 22 9  o 30.88235 2.015173  0.000000       0.000000  ?              ?         9.659845       1.244665  ?              ?         
1 1 1 -28 22 10 o 52.46176 1.861327  0.000000       0.000000  ?              ?         27.82345       1.952970  ?              ?         
1 1 1 -28 22 11 o 58.75807 1.936721  0.000000       0.000000  ?              ?         34.93338       2.275960  ?              ?         
1 1 1 -28 22 12 o 48.30488 2.940723  0.000000       0.000000  ?              ?         23.96957       2.841025  ?              ?         
1 1 1 -28 22 13 f 42.09066 2.927294  0.000000       0.000000  ?              ?         18.19512       2.464235  ?              ?         
1 1 1 -28 22 14 f 43.15556 2.993186  0.000000       0.000000  ?              ?         19.15152       2.583453  ?              ?         
1 1 1 -28 22 15 o 13.92404 4.858603  0.000000       0.000000  ?              ?         1.934223       1.667255  ?              ?         
1 1 1 -28 22 16 o 24.24183 3.972589  0.000000       0.000000  ?              ?         6.172449       1.926056  ?              ?         
1 1 1 -28 22 17 o 18.54778 4.811921  0.000000       0.000000  ?              ?         3.829896       1.799922  ?              ?         
1 1 1 -28 22 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 22 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 22 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 22 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 22 22 o 18.87632 0.8331840 3.523727       0.2768819 3.699462       0.5461867 3.462945       0.3212149 0.5821934      1.666368  
1 1 1 -28 22 23 o 45.87197 0.8409755 21.14895       0.7712558 21.06643       1.104739  21.22742       1.077222  -0.1812172     1.681951  
1 1 1 -28 22 24 o 31.14993 0.7306524 9.722966       0.4534759 9.931355       0.6742518 9.550848       0.6127712 0.5994396      1.461305  
1 1 1 -28 22 25 o 42.48569 0.8294398 18.14791       0.7043374 17.81005       1.008283  18.46990       0.9843168 -0.7815437     1.658880  
1 1 1 -28 22 26 o 11.95313 1.025603  1.430207       0.2380729 1.476708       0.3887453 1.402300       0.3011531 0.2892532      2.051207  
1 1 1 -28 22 27 o 24.76034 0.7751577 6.187021       0.3809436 5.869516       0.5662814 6.449475       0.5148544 -1.180826      1.550315  
1 1 1 -28 22 28 o 5.451786 1.436423  0.8397072E-01  0.2253984 0.4975232      0.3703522 -0.1593271     0.2840657 3.268430       2.872846  
1 1 1 -28 22 29 o 17.54021 1.285226  2.946647       0.3603825 3.398298       0.8324983 2.842490       0.3997830 1.446894       2.570453  
1 1 1 -28 23 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 23 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -28 24 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 0  1  o 20.51315 0.8605242 4.250805       0.3502018 4.476398       0.5037129 4.039744       0.4872192 -0.000000      0.000000  
1 1 1 -27 0  2  o 62.88138 1.078594  39.65516       1.354688  39.45223       1.912134  39.85965       1.919523  -0.000000      0.000000  
1 1 1 -27 0  3  o 36.76937 0.8270112 13.56973       0.6067900 13.56871       0.8624614 13.57072       0.8538644 -0.000000      0.000000  
1 1 1 -27 0  4  o 33.21067 0.8154470 11.06864       0.5399436 10.61048       0.7536331 11.55185       0.7739639 -0.000000      0.000000  
1 1 1 -27 0  5  o 67.54292 1.133606  45.74353       1.529299  45.22431       2.145988  46.27928       2.179924  -0.000000      0.000000  
1 1 1 -27 0  6  o 74.77368 1.226676  56.07489       1.832261  56.08921       2.594702  56.06066       2.587729  -0.000000      0.000000  
1 1 1 -27 0  7  o 65.36250 1.114088  42.84101       1.454419  42.96182       2.069825  42.72319       2.044135  -0.000000      0.000000  
1 1 1 -27 0  8  o 59.65317 1.042547  35.66410       1.241627  36.30323       1.787116  35.06773       1.726314  -0.000000      0.000000  
1 1 1 -27 0  9  o 34.80201 0.8322424 12.15096       0.5775444 12.67577       0.8288080 11.65557       0.8052440 -0.000000      0.000000  
1 1 1 -27 0  10 f 17.41460 1.319017  3.086732       0.4541785 3.086732       0.4541785 3.086732       0.4541785 -0.000000      0.000000  
1 1 1 -27 0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 0  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 0  14 o 25.64704 1.224747  6.626707       0.6251623 6.626707       0.6251623 6.626707       0.6251623 -0.000000      0.000000  
1 1 1 -27 0  15 o 9.803123 1.680146  1.172859       0.2873489 1.551277       0.3924268 0.7354236      0.4219196 -0.000000      0.000000  
1 1 1 -27 0  16 o 35.54348 0.8652387 12.64515       0.6124679 11.88881       0.8385658 13.50995       0.8966719 -0.000000      0.000000  
1 1 1 -27 0  17 o 94.81754 1.500715  90.21743       2.842707  90.01862       4.019391  90.41640       4.020999  -0.000000      0.000000  
1 1 1 -27 0  18 o 56.93559 1.028741  32.50636       1.169651  32.90931       1.666946  32.11555       1.641618  -0.000000      0.000000  
1 1 1 -27 0  19 o 65.81969 1.128456  43.44637       1.483460  43.79726       2.112452  43.10497       2.083703  -0.000000      0.000000  
1 1 1 -27 0  20 o 58.77731 1.056097  34.64622       1.239593  35.05025       1.768293  34.25583       1.738192  -0.000000      0.000000  
1 1 1 -27 0  21 o 41.63416 0.9045994 17.38856       0.7514584 17.96773       1.075266  16.83565       1.050609  -0.000000      0.000000  
1 1 1 -27 0  22 o 57.05133 1.039122  32.64668       1.183895  32.85209       1.681433  32.44473       1.667217  -0.000000      0.000000  
1 1 1 -27 0  23 o 27.63534 0.9080012 7.692427       0.4985079 8.344821       0.7126749 7.067409       0.6975613 -0.000000      0.000000  
1 1 1 -27 0  24 o 6.556653 1.847750  0.5806053      0.3096279 1.007846       0.4131384 0.3312340E-01  0.4676752 -0.000000      0.000000  
1 1 1 -27 0  25 f 52.44082 1.001546  27.58219       1.048605  28.10447       1.497024  27.07911       1.469267  -0.000000      0.000000  
1 1 1 -27 0  26 o 20.92642 1.022682  4.421558       0.4226097 4.115688       0.5715677 4.790440       0.6276873 -0.000000      0.000000  
1 1 1 -27 0  27 f 106.5491 1.669011  114.0320       3.552020  112.7455       4.963418  115.3825       5.085434  -0.000000      0.000000  
1 1 1 -27 0  28 o 52.78401 1.015227  27.95512       1.069926  27.76345       1.502457  28.15232       1.523980  -0.000000      0.000000  
1 1 1 -27 0  29 o 84.91687 1.388053  72.36125       2.353690  73.62543       3.385380  71.17843       3.274622  -0.000000      0.000000  
1 1 1 -27 0  30 o 39.87499 0.9356189 15.97170       0.7443123 16.10012       1.050207  15.84209       1.055043  -0.000000      0.000000  
1 1 1 -27 0  31 o 23.42792 1.016565  5.558341       0.4723805 5.559629       0.6580167 5.556972       0.6785501 -0.000000      0.000000  
1 1 1 -27 0  32 o 47.83324 0.9913741 22.96418       0.9463805 22.63917       1.320660  23.30725       1.356842  -0.000000      0.000000  
1 1 1 -27 0  33 o 81.78317 1.356842  67.17580       2.216543  67.48098       3.150550  66.87671       3.119019  -0.000000      0.000000  
1 1 1 -27 0  34 o 34.15615 0.9500102 11.73371       0.6466661 11.59512       0.9037723 11.87909       0.9256687 -0.000000      0.000000  
1 1 1 -27 0  35 o 79.30312 1.338918  63.17479       2.120825  63.82926       3.016100  62.53472       2.982776  -0.000000      0.000000  
1 1 1 -27 0  36 o 19.45911 1.177286  3.873868       0.4505521 3.824805       0.6137280 3.931217       0.6635365 -0.000000      0.000000  
1 1 1 -27 0  37 o 37.08391 0.9639005 13.82947       0.7127372 13.91848       1.015758  13.74315       1.000344  -0.000000      0.000000  
1 1 1 -27 0  38 o 81.15909 1.357230  66.19807       2.200001  66.68740       3.141459  65.72710       3.081936  -0.000000      0.000000  
1 1 1 -27 0  39 o 50.94321 1.035880  26.07086       1.053445  25.81828       1.491078  26.32258       1.488519  -0.000000      0.000000  
1 1 1 -27 0  40 o 7.456825 2.401775  0.8169665      0.3857973 0.8147411      0.5478056 0.8191565      0.5434203 -0.000000      0.000000  
1 1 1 -27 0  41 o 64.20309 1.170264  41.41306       1.500357  40.98764       2.105437  41.85199       2.138602  -0.000000      0.000000  
1 1 1 -27 0  42 o 55.08179 1.083715  30.47823       1.191676  29.98664       1.670123  30.98809       1.700866  -0.000000      0.000000  
1 1 1 -27 0  43 o 52.69791 1.077989  27.91398       1.134051  27.93768       1.606555  27.89045       1.601042  -0.000000      0.000000  
1 1 1 -27 0  44 o 29.48064 1.044496  8.770896       0.6117471 8.172992       0.8517237 9.408018       0.8792132 -0.000000      0.000000  
1 1 1 -27 0  45 o 16.19317 1.430060  2.747541       0.4505280 2.559518       0.6186066 2.959920       0.6574517 -0.000000      0.000000  
1 1 1 -27 0  46 o 22.81242 1.200198  5.306111       0.5406780 4.928187       0.7550671 5.703815       0.7745744 -0.000000      0.000000  
1 1 1 -27 0  47 o 11.35494 2.250773  1.592094       0.4622923 1.032828       0.6324114 2.233897       0.6774722 -0.000000      0.000000  
1 1 1 -27 0  48 o 36.92755 1.050651  13.74497       0.7732170 13.63938       1.093546  13.85055       1.093442  -0.000000      0.000000  
1 1 1 -27 0  49 o 6.660064 2.511635  0.6366616      0.4673848 0.8595967      0.6441268 0.3887633      0.6792335 -0.000000      0.000000  
1 1 1 -27 0  50 o 29.00043 1.163544  8.521282       0.6700256 8.189581       0.9359198 8.870012       0.9596443 -0.000000      0.000000  
1 1 1 -27 0  51 o 49.50531 1.109276  24.67194       1.095711  24.10299       1.537182  25.25959       1.562261  -0.000000      0.000000  
1 1 1 -27 0  52 o 26.28063 1.233479  7.022715       0.6409588 6.400018       0.8890293 7.696737       0.9249423 -0.000000      0.000000  
1 1 1 -27 0  53 f 12.73799 2.323921  1.968661       0.5102347 2.217308       0.6946267 1.677292       0.7519377 -0.000000      0.000000  
1 1 1 -27 0  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 1  1  o 56.84744 0.7122345 32.33848       0.8096297 32.90607       1.158419  31.79648       1.132016  0.9746170      1.424469  
1 1 1 -27 1  2  o 71.45401 0.8348256 50.91132       1.189503  53.84964       1.766802  48.47532       1.608713  3.751457       1.669651  
1 1 1 -27 1  3  o 45.01664 0.6270826 20.27810       0.5645449 20.08754       0.7927606 20.47416       0.8041349 -0.4289398     1.254165  
1 1 1 -27 1  4  o 66.09416 0.7882316 43.70855       1.041468  42.90495       1.446481  44.57354       1.500732  -1.259445      1.576463  
1 1 1 -27 1  5  o 66.50234 0.7911609 44.27298       1.052224  44.01075       1.478866  44.54184       1.497448  -0.3983459     1.582322  
1 1 1 -27 1  6  o 10.05637 0.9625540 1.010673       0.1917287 0.8299438      0.2634563 1.214155       0.2795495 -1.909328      1.925108  
1 1 1 -27 1  7  o 102.9459 1.396081  104.7891       2.655932  110.3700       4.837554  102.3810       3.177687  3.740540       2.792163  
1 1 1 -27 1  8  o 36.46455 0.8187621 13.30940       0.5970322 13.44814       0.8529857 13.17616       0.8359347 0.3720932      1.637524  
1 1 1 -27 1  9  o 25.35409 0.8049105 6.380169       0.4054205 7.525398       0.6021251 5.430387       0.5483436 4.128939       1.609821  
1 1 1 -27 1  10 o 72.29415 1.037225  51.73846       1.397156  50.68852       1.684119  54.05636       2.502297  -2.279785      2.074450  
1 1 1 -27 1  11 o 16.23709 0.7091697 2.627748       0.2239021 1.862741       0.3029145 3.549102       0.3324304 -5.191728      1.418339  
1 1 1 -27 1  12 o 13.08976 0.7882781 1.714088       0.2062927 1.654225       0.2878919 1.777263       0.2957506 -0.4696102     1.576556  
1 1 1 -27 1  13 o 17.57917 0.7432186 3.160090       0.2552329 3.522284       0.3398877 2.691753       0.3864951 2.364273       1.486437  
1 1 1 -27 1  14 o 48.62823 0.8134397 24.10303       0.7559322 25.24647       0.9518799 22.15050       1.243870  3.197208       1.626879  
1 1 1 -27 1  15 o 25.30338 0.8612427 6.412367       0.4356981 6.225957       0.6166630 6.598182       0.6156785 -0.7355747     1.722485  
1 1 1 -27 1  16 o 18.76963 1.033271  3.591322       0.3757422 2.548402       0.5270231 4.669453       0.5358462 -5.649679      2.066542  
1 1 1 -27 1  17 o 13.89246 1.185291  1.943954       0.3266645 1.854992       0.4877268 2.016328       0.4399113 -0.5842142     2.370583  
1 1 1 -27 1  18 o 74.66809 1.075956  55.21032       1.491269  57.64125       2.689154  54.13075       1.792066  2.289047       2.151912  
1 1 1 -27 1  19 o 39.77263 0.6248600 15.77716       0.4961706 16.77758       0.7282793 14.91057       0.6778174 2.344990       1.249720  
1 1 1 -27 1  20 o 44.17435 0.6441642 19.49019       0.5684683 20.36814       0.8283268 18.70855       0.7815793 1.876369       1.288328  
1 1 1 -27 1  21 o 52.39479 0.6992979 27.38673       0.7313744 26.02933       0.9971101 28.96752       1.076032  -2.800022      1.398596  
1 1 1 -27 1  22 o 23.28733 0.6525209 5.419873       0.3029407 4.842532       0.4200022 6.045953       0.4373710 -2.583059      1.305042  
1 1 1 -27 1  23 o 27.45161 0.6329270 7.530685       0.3471234 8.039332       0.5007960 7.060322       0.4815810 1.782303       1.265854  
1 1 1 -27 1  24 o 40.45710 0.6377808 16.35805       0.5156715 17.01029       0.7468940 15.76393       0.7128367 1.538799       1.275562  
1 1 1 -27 1  25 o 74.04528 0.8762400 54.70312       1.294173  52.15262       1.754014  57.75076       1.917348  -3.769531      1.752480  
1 1 1 -27 1  26 f 49.07618 0.6911411 24.09433       0.6781191 24.70774       0.9753808 23.52045       0.9434274 1.207893       1.382282  
1 1 1 -27 1  27 o 30.88747 0.6428274 9.485256       0.3955640 8.451084       0.5367059 10.71504       0.5852676 -3.662281      1.285655  
1 1 1 -27 1  28 o 61.43943 0.7771037 37.76685       0.9542632 38.75113       1.380458  36.86608       1.320596  1.530132       1.554207  
1 1 1 -27 1  29 o 117.0645 1.282024  137.4828       2.999462  140.6665       4.341310  134.5748       4.148983  2.580078       2.564049  
1 1 1 -27 1  30 o 37.83957 0.6568417 14.30801       0.4966134 13.55017       0.6862491 15.14124       0.7195700 -2.100338      1.313683  
1 1 1 -27 1  31 o 44.40368 0.6747739 19.70824       0.5986843 20.54308       0.8699850 18.95728       0.8251296 1.782639       1.349548  
1 1 1 -27 1  32 o 45.84422 0.6895896 20.80216       0.6284121 18.80075       0.8348507 23.41861       0.9545455 -5.027885      1.379179  
1 1 1 -27 1  33 f 68.17244 0.8387510 46.56679       1.143499  46.99776       1.629995  46.14914       1.604608  0.6201706      1.677502  
1 1 1 -27 1  34 o 61.29542 1.015375  37.71030       1.218349  37.59922       1.930472  37.78382       1.570666  -0.1904449     2.030749  
1 1 1 -27 1  35 o 60.26680 0.7863833 36.39326       0.9478363 36.26023       1.335296  36.52836       1.345650  -0.2215118     1.572767  
1 1 1 -27 1  36 o 59.01492 0.7761756 34.81157       0.9147402 36.49128       1.339378  33.34321       1.252285  2.658993       1.552351  
1 1 1 -27 1  37 o 37.40102 0.6831990 13.88403       0.5086864 15.69955       0.7613717 12.42017       0.6836675 4.377316       1.366398  
1 1 1 -27 1  38 o 26.62323 0.7203357 7.090261       0.3830548 7.620347       0.5530761 6.601576       0.5310382 1.911196       1.440671  
1 1 1 -27 1  39 o 34.83263 0.6811411 12.15587       0.4744624 12.23787       0.6672661 12.07201       0.6747795 0.2387772      1.362282  
1 1 1 -27 1  40 o 35.79634 0.6923571 12.81723       0.4952704 13.42687       0.7176378 12.26278       0.6843812 1.622746       1.384714  
1 1 1 -27 1  41 o 62.30065 0.8152753 38.91369       1.015751  38.42465       1.424819  39.41909       1.448450  -0.7952843     1.630551  
1 1 1 -27 1  42 o 52.92907 0.7572930 28.08262       0.8016530 28.13582       1.135711  28.02979       1.131716  0.9971619E-01  1.514586  
1 1 1 -27 1  43 o 35.36479 0.7076334 12.51877       0.5001546 11.94032       0.6936538 13.14518       0.7218386 -1.700237      1.415267  
1 1 1 -27 1  44 o 29.86081 0.7218264 8.922026       0.4306081 8.386862       0.5951390 9.510006       0.6238163 -1.877022      1.443653  
1 1 1 -27 1  45 o 58.38716 0.8010760 34.12566       0.9342591 32.76707       1.282232  35.66314       1.364044  -2.468491      1.602152  
1 1 1 -27 1  46 o 36.78750 0.7208468 13.55719       0.5301103 13.18183       0.7359807 13.96188       0.7641934 -1.056549      1.441694  
1 1 1 -27 1  47 o 39.14008 0.7370256 15.36245       0.5768164 15.26223       0.8061741 15.46758       0.8256581 -0.2595749     1.474051  
1 1 1 -27 1  48 o 45.05645 0.7475229 20.32137       0.6728889 21.41420       0.9787791 19.34199       0.9265820 2.291779       1.495046  
1 1 1 -27 1  49 o 23.84862 0.8561828 5.711570       0.4082361 5.504998       0.5726557 5.925033       0.5821267 -0.8788719     1.712366  
1 1 1 -27 1  50 o 27.47621 0.8046796 7.566395       0.4413010 6.916981       0.6113029 8.273157       0.6377231 -2.463219      1.609359  
1 1 1 -27 1  51 o 40.78911 0.7648164 16.68064       0.6235576 16.07482       0.8645884 17.33737       0.9001750 -1.541458      1.529633  
1 1 1 -27 1  52 o 35.21220 0.7876253 12.39445       0.5532872 11.32300       0.7553746 13.63470       0.8126988 -3.271523      1.575251  
1 1 1 -27 1  53 f 14.34028 1.295850  2.092253       0.3690366 2.351079       0.5184005 1.826326       0.5254644 1.831900       2.591700  
1 1 1 -27 1  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 2  1  f 21.61892 0.5916867 4.652408       0.2541189 5.471286       0.3732639 3.944975       0.3469354 3.528948       1.183373  
1 1 1 -27 2  2  o 70.51816 0.8263144 49.79378       1.165369  49.58109       1.640540  50.01043       1.655726  -0.3035355     1.652629  
1 1 1 -27 2  3  f 65.04312 0.7785521 42.15714       1.009558  44.78759       1.502667  39.99298       1.362992  3.678185       1.557104  
1 1 1 -27 2  4  o 87.32426 1.192345  77.00170       1.988471  74.61636       3.325708  78.32893       2.480739  -2.192757      2.384690  
1 1 1 -27 2  5  o 31.40550 0.7716218 9.830544       0.4835970 10.63863       0.7117988 9.137766       0.6590608 2.386829       1.543244  
1 1 1 -27 2  6  o 34.28043 0.7886749 11.70522       0.5392887 12.63220       0.7985596 10.92799       0.7312204 2.482292       1.577350  
1 1 1 -27 2  7  o 46.05811 0.7677766 21.31786       0.6748222 21.51434       0.8392533 20.95847       1.135054  0.6174088      1.535553  
1 1 1 -27 2  8  o 51.45536 0.6735875 26.36691       0.6911924 28.22132       1.026324  24.82775       0.9350295 3.293823       1.347175  
1 1 1 -27 2  9  f 73.18567 0.8517706 53.62794       1.246746  53.63323       1.761564  53.62262       1.764770  0.7423401E-02  1.703541  
1 1 1 -27 2  10 o 37.09265 0.5937529 13.76431       0.4404224 13.61067       0.6169311 13.92400       0.6289454 -0.4219246     1.187506  
1 1 1 -27 2  11 o 27.40667 0.5795991 7.513466       0.3176468 7.697931       0.4531757 7.335305       0.4453670 0.6612949      1.159198  
1 1 1 -27 2  12 o 75.68962 0.8760414 57.22198       1.323745  55.13988       1.807339  59.63152       1.944270  -2.959961      1.752083  
1 1 1 -27 2  13 o 40.38663 0.6132313 16.20277       0.4935230 17.93024       0.7354824 14.78787       0.6656281 3.887775       1.226463  
1 1 1 -27 2  14 o 16.26614 0.7031840 2.652547       0.2281822 2.870577       0.3227357 2.434617       0.3226611 1.340081       1.406368  
1 1 1 -27 2  15 o 41.19749 0.6196516 16.97276       0.5103967 17.46216       0.7328748 16.51184       0.7112316 1.152557       1.239303  
1 1 1 -27 2  16 o 20.97965 0.6447833 4.413436       0.2700093 4.639690       0.3772551 4.175809       0.3866187 1.105928       1.289567  
1 1 1 -27 2  17 o 124.0419 1.455770  153.6069       3.546683  150.1000       4.576785  158.8786       5.611414  -3.442039      2.911540  
1 1 1 -27 2  18 o 46.77788 0.8139356 22.01877       0.7199302 22.25138       0.8866801 21.56875       1.233302  0.7480049      1.627871  
1 1 1 -27 2  19 o 102.3040 1.607271  104.9318       3.282348  101.3693       4.478778  109.0653       4.824342  -3.723549      3.214542  
1 1 1 -27 2  20 o 53.25417 1.007795  28.41653       1.073374  28.47471       1.522170  28.35899       1.513824  0.1080589      2.015590  
1 1 1 -27 2  21 o 48.46304 0.9611120 23.39269       0.9286765 21.76778       1.254841  25.36040       1.380881  -3.698040      1.922224  
1 1 1 -27 2  22 o 24.99322 0.8753342 6.420528       0.4209380 5.582696       0.6697815 6.967486       0.5411673 -2.778053      1.750668  
1 1 1 -27 2  23 o 75.87852 1.091023  57.89575       1.565317  57.14281       2.686558  58.28271       1.926010  -0.8085327     2.182046  
1 1 1 -27 2  24 o 35.57919 0.6322787 12.55393       0.4475870 11.00030       0.6033203 14.45568       0.6675020 -4.852974      1.264557  
1 1 1 -27 2  25 o 19.74869 0.7255663 3.900712       0.2864374 4.036204       0.4129110 3.775028       0.3976851 0.6604080      1.451133  
1 1 1 -27 2  26 o 90.12583 1.020723  80.96045       1.832088  76.73837       2.458032  86.23777       2.748093  -5.246338      2.041445  
1 1 1 -27 2  27 f 35.57380 0.6378133 12.60532       0.4526816 13.72291       0.6674632 11.65342       0.6160055 2.905998       1.275627  
1 1 1 -27 2  28 o 22.77206 0.6938295 5.193557       0.3158756 5.048377       0.4480301 5.337045       0.4454124 -0.6339760     1.387659  
1 1 1 -27 2  29 o 39.72113 0.6523084 15.71488       0.5167934 16.91768       0.7660487 14.71023       0.7001073 2.774830       1.304617  
1 1 1 -27 2  30 o 52.13188 0.7129041 27.21046       0.7432339 27.50214       1.059813  26.92819       1.042582  0.5493088      1.425808  
1 1 1 -27 2  31 o 45.60793 0.6865324 20.71448       0.6243969 22.40342       0.9269698 19.31170       0.8448002 3.383747       1.373065  
1 1 1 -27 2  32 o 54.93745 0.7414612 30.23014       0.8146781 30.20062       1.150769  30.25981       1.153494  -0.5365753E-01 1.482922  
1 1 1 -27 2  33 o 21.44755 1.001966  4.579995       0.4274189 3.958722       0.5798946 5.318962       0.6324413 -3.165512      2.003933  
1 1 1 -27 2  34 o 32.03437 0.6662612 10.27562       0.4268512 10.17561       0.6009389 10.37746       0.6064159 -0.3146553     1.332522  
1 1 1 -27 2  35 o 29.36089 0.6813962 8.604929       0.3993663 9.361808       0.5828787 7.935224       0.5482857 2.426655       1.362792  
1 1 1 -27 2  36 o 55.73468 1.076738  31.18106       1.200094  31.66548       1.712970  30.71407       1.681838  0.8494263      2.153476  
1 1 1 -27 2  37 o 19.58944 0.8033358 3.844249       0.3145859 3.914376       0.4534194 3.779160       0.4368277 0.3434124      1.606672  
1 1 1 -27 2  38 o 41.82383 0.6902292 17.41364       0.5755167 19.06143       0.8554459 16.05113       0.7778793 3.591606       1.380458  
1 1 1 -27 2  39 o 24.46031 0.7478666 5.979260       0.3649287 6.615582       0.5302795 5.406777       0.5029764 2.468170       1.495733  
1 1 1 -27 2  40 o 30.58798 0.6982224 9.368361       0.4269921 9.612680       0.6139008 9.139400       0.5942927 0.7716942      1.396445  
1 1 1 -27 2  41 o 18.91736 0.8541210 3.595690       0.3225864 3.428343       0.4624874 3.754243       0.4501738 -0.8629150     1.708242  
1 1 1 -27 2  42 o 26.81416 0.7508792 7.169173       0.4013728 8.024808       0.5903381 6.433614       0.5473500 2.962214       1.501758  
1 1 1 -27 2  43 o 48.93740 0.7423462 24.00069       0.7262800 24.32991       1.044632  23.69267       1.010451  0.6469002      1.484692  
1 1 1 -27 2  44 f 49.93737 0.7520173 24.96344       0.7504109 23.74991       1.037055  26.29716       1.087202  -2.543839      1.504035  
1 1 1 -27 2  45 f 29.47332 0.7591953 8.636304       0.4448229 7.430249       0.6012269 10.09492       0.6611889 -4.512472      1.518391  
1 1 1 -27 2  46 o 46.69298 0.7537196 21.76641       0.7022656 20.19137       0.9566534 23.60707       1.034178  -3.647018      1.507439  
1 1 1 -27 2  47 o 38.71764 0.7436825 14.98293       0.5748532 16.11172       0.8420116 13.99749       0.7867312 2.722343       1.487365  
1 1 1 -27 2  48 o 25.05226 0.8294156 6.299039       0.4131360 5.421838       0.5735589 7.244919       0.5955885 -3.634920      1.658831  
1 1 1 -27 2  49 o 46.81253 0.7672961 21.98123       0.7181691 22.64702       1.029776  21.35078       1.002079  1.379845       1.534592  
1 1 1 -27 2  50 o 26.43943 0.8372356 7.020976       0.4426780 6.891893       0.6245846 7.151268       0.6275080 -0.4899693     1.674471  
1 1 1 -27 2  51 o 21.56478 0.9145861 4.661816       0.3938064 4.325309       0.5415549 5.039439       0.5736858 -1.649057      1.829172  
1 1 1 -27 2  52 o 57.27358 0.8289689 32.93547       0.9492071 31.99575       1.321189  33.93799       1.364627  -1.686699      1.657938  
1 1 1 -27 2  53 o 34.21069 0.8181339 11.75344       0.5596035 12.17385       0.7996426 11.34992       0.7834050 1.200935       1.636268  
1 1 1 -27 2  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 3  1  o 98.76980 1.091258  97.76189       2.155294  96.61198       3.014291  98.96481       3.082961  -1.185822      2.182515  
1 1 1 -27 3  2  o 38.38531 0.7931702 14.44681       0.6020338 16.91324       0.9413672 12.73992       0.7831180 5.427258       1.586340  
1 1 1 -27 3  3  o 22.04331 0.7396830 4.864306       0.3260997 4.878312       0.4620355 4.850403       0.4603187 0.6321526E-01  1.479366  
1 1 1 -27 3  4  o 20.66989 0.7322552 4.347717       0.2976603 5.010725       0.4089926 3.601039       0.4340330 3.411247       1.464510  
1 1 1 -27 3  5  o 44.53461 0.6247824 19.68474       0.5538314 18.22223       0.7403175 21.54351       0.8346036 -3.724884      1.249565  
1 1 1 -27 3  6  f 42.97063 0.6131924 18.39834       0.5258029 19.73928       0.7755677 17.25778       0.7152806 2.885006       1.226385  
1 1 1 -27 3  7  o 35.85353 0.5798687 12.79440       0.4146812 11.88199       0.5623156 13.88217       0.6139797 -2.787434      1.159737  
1 1 1 -27 3  8  f 61.48814 0.7503625 37.84297       0.9227065 37.59586       1.295973  38.09702       1.314022  -0.4066620     1.500725  
1 1 1 -27 3  9  o 38.71552 0.5954586 14.91560       0.4597517 13.86489       0.6225280 16.17625       0.6818939 -2.982845      1.190917  
1 1 1 -27 3  10 o 24.37814 0.5807564 5.925192       0.2826148 5.597545       0.3854989 6.305906       0.4155457 -1.451780      1.161513  
1 1 1 -27 3  11 o 79.57711 0.9116389 63.40609       1.450701  62.81190       2.030982  64.02503       2.072861  -0.7598877     1.823278  
1 1 1 -27 3  12 f 38.56631 0.6047515 14.84614       0.4658772 15.79475       0.6781982 13.99855       0.6410683 2.327316       1.209503  
1 1 1 -27 3  13 f 65.21198 0.7859960 42.53149       1.024457  41.50082       1.417911  43.65713       1.481802  -1.650200      1.571992  
1 1 1 -27 3  14 o 73.28604 0.8600364 53.77852       1.260568  53.98377       1.785115  53.57436       1.780321  0.2790604      1.720073  
1 1 1 -27 3  15 o 41.00287 0.6197906 16.82393       0.5082591 16.92336       0.7194623 16.72488       0.7181133 0.2419815      1.239581  
1 1 1 -27 3  16 o 79.47566 0.9144379 62.89309       1.447297  59.52121       1.941085  67.11449       2.171882  -4.763412      1.828876  
1 1 1 -27 3  17 o 75.54332 0.8790023 57.14964       1.328033  56.96458       1.871708  57.33726       1.884604  -0.2459106     1.758005  
1 1 1 -27 3  18 o 111.8123 1.221805  125.2715       2.730360  122.6509       3.777558  128.1380       3.950894  -2.439316      2.443611  
1 1 1 -27 3  19 o 27.81905 0.6052122 7.745367       0.3366797 7.595462       0.4762505 7.895129       0.4760235 -0.5386086     1.210424  
1 1 1 -27 3  20 o 54.60521 0.7110350 29.79123       0.7756687 28.68168       1.066749  31.03603       1.129895  -2.152634      1.422070  
1 1 1 -27 3  21 o 37.88662 0.6178564 14.36244       0.4681296 14.12914       0.6573719 14.60248       0.6667993 -0.6242676     1.235713  
1 1 1 -27 3  22 o 16.75338 0.8308187 2.764177       0.2757957 2.477372       0.3612590 3.164863       0.4269999 -2.047965      1.661637  
1 1 1 -27 3  23 o 33.09161 0.7644565 10.95891       0.4765816 10.94997       0.5830928 10.97688       0.8271627 -0.2758408E-01 1.528913  
1 1 1 -27 3  24 o 21.66593 1.040171  4.751931       0.4462076 4.178872       0.6503507 5.261621       0.6133400 -2.501568      2.080341  
1 1 1 -27 3  25 o 47.00950 0.9749102 22.14135       0.9164013 21.49857       1.287256  22.80188       1.304898  -1.384884      1.949820  
1 1 1 -27 3  26 o 14.66699 1.349423  2.140770       0.3915772 2.288536       0.6074769 2.035728       0.5121847 0.8513250      2.698845  
1 1 1 -27 3  27 o 66.94160 1.171399  44.81091       1.565170  42.71205       2.132545  47.26166       2.304401  -3.381271      2.342797  
1 1 1 -27 3  28 f 69.41750 1.097245  48.09869       1.481611  49.31902       2.405731  47.35300       1.880576  1.366196       2.194490  
1 1 1 -27 3  29 o 42.01053 0.8268228 18.13136       0.6577356 16.20098       1.094452  19.22272       0.8229209 -3.616436      1.653646  
1 1 1 -27 3  30 o 24.39875 0.8903055 5.463306       0.3873495 7.099229       0.7823128 4.931992       0.4458356 4.412138       1.780611  
1 1 1 -27 3  31 o 47.39178 0.6948586 22.43488       0.6577842 21.19146       0.9046277 23.82986       0.9581749 -2.779781      1.389717  
1 1 1 -27 3  32 o 37.47797 0.8136468 13.93196       0.5944477 14.69355       0.9655918 13.46716       0.7543418 1.618183       1.627294  
1 1 1 -27 3  33 o 21.03546 0.7522252 4.436999       0.3160035 4.162733       0.4471154 4.710728       0.4466778 -1.302588      1.504450  
1 1 1 -27 3  34 o 30.65738 0.6671237 9.327975       0.4071178 10.62236       0.6078439 8.274922       0.5482586 3.824030       1.334247  
1 1 1 -27 3  35 o 27.03831 0.6939654 7.324164       0.3751583 7.123684       0.5310073 7.523963       0.5301018 -0.7402821     1.387931  
1 1 1 -27 3  36 f 59.26364 0.7806154 35.02804       0.9222544 37.24823       1.373200  33.20372       1.244767  3.399864       1.561231  
1 1 1 -27 3  37 o 45.51752 0.7060298 20.73012       0.6423253 19.90054       0.8903373 21.63054       0.9275770 -1.896942      1.412060  
1 1 1 -27 3  38 o 44.12403 0.6998206 19.49896       0.6174560 19.84574       0.8840334 19.16865       0.8627837 0.7652435      1.399641  
1 1 1 -27 3  39 o 29.76326 0.7004479 8.824580       0.4157397 9.727346       0.6144682 8.062444       0.5645837 2.792116       1.400896  
1 1 1 -27 3  40 o 46.63484 0.7149138 21.78196       0.6665918 22.24194       0.9573882 21.34915       0.9286739 0.9542656      1.429828  
1 1 1 -27 3  41 o 31.86831 0.6964239 10.17421       0.4438263 10.38142       0.6325059 9.973222       0.6229338 0.6394691      1.392848  
1 1 1 -27 3  42 o 45.18711 0.7215160 20.46047       0.6519908 20.07749       0.9146728 20.85606       0.9296174 -0.8598404     1.443032  
1 1 1 -27 3  43 o 23.30626 0.7936607 5.440935       0.3695058 5.829275       0.5322929 5.079754       0.5133425 1.605453       1.587321  
1 1 1 -27 3  44 o 19.40000 0.9107354 3.768331       0.3500174 3.099591       0.4803202 4.525563       0.5111123 -3.670292      1.821471  
1 1 1 -27 3  45 o 28.68021 0.7511145 8.249206       0.4308157 8.342370       0.6086399 8.155656       0.6098928 0.3256779      1.502229  
1 1 1 -27 3  46 o 21.70404 0.8647665 4.697159       0.3715442 5.723126       0.5488267 3.829149       0.5048138 4.356256       1.729533  
1 1 1 -27 3  47 o 7.555344 1.662025  0.5226101      0.3062733 0.1380628      0.4319436 0.9114327      0.4343381 -3.481447      3.324049  
1 1 1 -27 3  48 f 12.96197 1.269748  1.695680       0.3291436 1.674212       0.4659454 1.717061       0.4650148 -0.1655245     2.539496  
1 1 1 -27 3  49 o 16.39294 1.060668  2.708784       0.3464318 2.413966       0.4852861 3.015159       0.4947067 -1.831477      2.121337  
1 1 1 -27 3  50 f 23.16677 0.8884099 5.383291       0.4107087 5.913921       0.5938444 4.896758       0.5686352 2.190374       1.776820  
1 1 1 -27 3  51 o 46.53614 0.7773921 21.73775       0.7234324 21.96287       1.033710  21.52164       1.012787  0.4703064      1.554784  
1 1 1 -27 3  52 o 36.30703 0.7894166 13.21581       0.5726665 12.49101       0.7917733 14.01088       0.8292728 -2.085670      1.578833  
1 1 1 -27 3  53 o 29.86436 1.066912  9.161063       0.6172969 8.218758       0.9748511 9.791810       0.7975717 -2.679119      2.133824  
1 1 1 -27 3  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 4  1  o 96.27342 1.494147  92.99569       2.874459  95.46210       4.170740  90.76424       3.967099  2.418419       2.988295  
1 1 1 -27 4  2  o 12.11246 0.8277289 1.447116       0.1978643 1.343166       0.2562153 1.600711       0.3114456 -1.059937      1.655458  
1 1 1 -27 4  3  o 51.47809 0.6689835 26.52277       0.6887505 26.69111       0.9769134 26.35640       0.9711924 0.3248329      1.337967  
1 1 1 -27 4  4  o 40.60418 0.5987368 16.49109       0.4861093 16.94740       0.6958274 16.05609       0.6793920 1.096863       1.197474  
1 1 1 -27 4  5  o 33.12227 0.5711148 10.92791       0.3774271 11.97272       0.5545371 10.02621       0.5151605 2.936811       1.142230  
1 1 1 -27 4  6  o 44.45620 0.6231428 19.58442       0.5511699 21.80283       0.8324338 17.85268       0.7354825 4.438595       1.246286  
1 1 1 -27 4  7  o 62.41954 0.7582741 39.00457       0.9466183 39.16718       1.339954  38.84256       1.337490  0.2599030      1.516548  
1 1 1 -27 4  8  o 25.94199 0.5661302 6.718157       0.2933470 6.427961       0.4024873 7.046982       0.4284383 -1.192112      1.132260  
1 1 1 -27 4  9  o 49.42406 0.6566239 24.43276       0.6487738 23.99767       0.9014575 24.90027       0.9344403 -0.9116936     1.313248  
1 1 1 -27 4  10 o 16.10547 0.6731360 2.593284       0.2167082 2.504534       0.3007303 2.689150       0.3125548 -0.5726290     1.346272  
1 1 1 -27 4  11 o 16.95223 0.6804867 2.876047       0.2275697 3.544538       0.3311109 2.277570       0.3132921 3.736098       1.360973  
1 1 1 -27 4  12 o 69.58630 0.8230375 48.44152       1.144731  47.37961       1.585369  49.59827       1.654640  -1.590485      1.646075  
1 1 1 -27 4  13 o 75.75732 0.8784326 57.46133       1.330774  58.17325       1.901200  56.77746       1.863368  0.9190598      1.756865  
1 1 1 -27 4  14 o 42.89656 0.6290344 18.39008       0.5393064 19.17423       0.7796152 17.67049       0.7468297 1.751400       1.258069  
1 1 1 -27 4  15 o 76.24150 0.8829180 58.13927       1.345027  56.60904       1.853979  59.83958       1.954295  -2.112724      1.765836  
1 1 1 -27 4  16 o 25.10436 0.6023627 6.306564       0.3024257 6.226423       0.4267301 6.387435       0.4286657 -0.3206062     1.204725  
1 1 1 -27 4  17 o 59.93871 0.7482082 35.83815       0.8948478 34.18230       1.215932  37.79455       1.321684  -3.007824      1.496416  
1 1 1 -27 4  18 o 51.64428 0.6907157 26.59311       0.7117839 28.21399       1.051238  25.22094       0.9672298 2.893703       1.381431  
1 1 1 -27 4  19 o 85.00363 0.9676771 72.38831       1.645080  72.70029       2.336536  72.08163       2.316580  0.3625412      1.935354  
1 1 1 -27 4  20 o 19.09313 0.6915105 3.652888       0.2620739 3.087413       0.3646155 4.257266       0.3769492 -3.062950      1.383021  
1 1 1 -27 4  21 o 57.35992 0.7315129 32.92988       0.8390940 32.50541       1.175807  33.37040       1.197815  -0.7528725     1.463026  
1 1 1 -27 4  22 o 38.81603 0.6279446 14.91539       0.4848112 16.84151       0.7324370 13.41345       0.6467783 4.411972       1.255889  
1 1 1 -27 4  23 o 23.07534 0.6489869 5.320506       0.2990358 5.762534       0.4318008 4.913132       0.4145288 1.839674       1.297974  
1 1 1 -27 4  24 o 22.23525 0.6690522 4.944315       0.2973797 5.095794       0.4289712 4.804163       0.4126220 0.6549397      1.338104  
1 1 1 -27 4  25 o 50.28519 0.6915364 25.31101       0.6954444 25.01663       0.9777526 25.61242       0.9893639 -0.5917587     1.383073  
1 1 1 -27 4  26 o 49.59999 0.6905919 24.41829       0.6818266 22.48169       0.9118010 26.87481       1.026930  -4.421921      1.381184  
1 1 1 -27 4  27 o 25.59956 0.6684330 6.554602       0.3420785 6.790199       0.4923334 6.334710       0.4756423 0.8886852      1.336866  
1 1 1 -27 4  28 o 67.18151 0.8248827 44.94942       1.104121  42.35741       1.484519  48.15836       1.651761  -4.305023      1.649765  
1 1 1 -27 4  29 f 61.77132 0.9672529 38.71056       1.136107  39.79474       1.414464  36.73948       1.907176  2.517365       1.934506  
1 1 1 -27 4  30 o 19.57309 1.009771  4.103637       0.3605890 4.616800       0.4462080 3.137704       0.6121851 3.794342       2.019542  
1 1 1 -27 4  31 o 56.46480 0.9995493 32.22937       1.117070  34.12888       1.504155  29.89328       1.668084  3.767612       1.999099  
1 1 1 -27 4  32 o 37.04815 0.9832475 13.72677       0.7272635 14.40256       1.068034  13.14253       0.9930650 1.692738       1.966495  
1 1 1 -27 4  33 o 26.83682 1.042462  7.210570       0.5579139 7.425821       0.8257178 7.029752       0.7567980 0.7300472      2.084923  
1 1 1 -27 4  34 f 41.30162 0.9976432 17.08921       0.8234209 17.72120       1.194181  16.51637       1.136914  1.452003       1.995286  
1 1 1 -27 4  35 o 68.37726 1.217593  46.70443       1.658335  50.10220       2.485788  43.97945       2.226120  4.439095       2.435186  
1 1 1 -27 4  36 o 12.20154 1.853383  1.557072       0.4378493 1.671120       0.6478074 1.461151       0.5940979 0.8247900      3.706766  
1 1 1 -27 4  37 f 30.80886 1.042601  9.528556       0.6423150 9.631861       0.9187094 9.429775       0.8983731 0.3251534      2.085202  
1 1 1 -27 4  38 f 19.11493 1.330282  3.641646       0.5003604 4.658670       0.7468466 2.813388       0.6739829 4.813810       2.660564  
1 1 1 -27 4  39 o 60.33414 1.149003  36.59105       1.386479  36.56133       1.958202  36.62093       1.963363  -0.4857254E-01 2.298007  
1 1 1 -27 4  40 o 17.33377 1.275867  2.958515       0.4298061 3.299119       0.7112024 2.762545       0.5394637 1.515903       2.551735  
1 1 1 -27 4  41 f 61.40251 1.062083  37.87937       1.275635  37.88338       2.027169  37.87673       1.641348  -0.5467606E-01 2.124166  
1 1 1 -27 4  42 o 12.68364 1.588398  1.616412       0.3584541 1.756884       0.6694117 1.559942       0.4244320 0.4685383      3.176795  
1 1 1 -27 4  43 o 27.38847 1.015631  7.989471       0.5070662 6.356437       0.8736408 8.819055       0.6226811 -4.537403      2.031262  
1 1 1 -27 4  44 o 35.97046 0.9169428 13.05480       0.6138706 12.82251       1.084806  13.16423       0.7445486 -0.5289078     1.833886  
1 1 1 -27 4  45 o 32.52096 0.9387550 10.29576       0.5618799 11.45733       1.043446  9.821387       0.6668128 2.452969       1.877510  
1 1 1 -27 4  46 o 32.13088 0.9455925 9.794495       0.5550897 11.80213       1.060910  9.037708       0.6513627 4.229626       1.891185  
1 1 1 -27 4  47 o 28.83602 1.011363  8.436984       0.5368276 8.171038       0.9641227 8.556484       0.6462791 -0.7306232     2.022725  
1 1 1 -27 4  48 o 27.34686 1.101414  7.511543       0.5826649 7.609416       0.9564973 7.453794       0.7347202 0.2346020      2.202828  
1 1 1 -27 4  49 o 6.923863 1.961456  0.1967067      0.4371172 -0.3672401     0.7258035 0.5176716      0.5475563 -1.582119      3.922913  
1 1 1 -27 4  50 o 10.83413 2.090279  1.289646       0.4758957 0.8531999      0.7629854 1.567558       0.6088418 -2.670067      4.180559  
1 1 1 -27 4  51 o 23.00547 1.372895  5.347357       0.6309594 5.606384       0.9194197 5.116776       0.8674676 1.047363       2.745790  
1 1 1 -27 4  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 4  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 5  1  o 56.90213 0.7097033 32.40797       0.8075927 32.12250       1.132504  32.70335       1.151962  -0.5093842     1.419407  
1 1 1 -27 5  2  o 28.58018 0.5504274 8.150372       0.3140856 8.841807       0.4569073 7.530924       0.4324679 2.292389       1.100855  
1 1 1 -27 5  3  o 79.00616 0.9021806 62.49075       1.425005  61.51352       1.982401  63.53558       2.049812  -1.275429      1.804361  
1 1 1 -27 5  4  o 29.73520 0.8962753 8.860161       0.5326339 8.986129       0.7425015 8.726620       0.7644961 0.4377480      1.792551  
1 1 1 -27 5  5  o 77.52118 0.8897259 60.18920       1.379444  60.39240       1.954805  59.98765       1.946876  0.2605591      1.779452  
1 1 1 -27 5  6  o 62.84575 0.7636005 39.53371       0.9596823 40.13297       1.369001  38.95467       1.345691  0.9362106      1.527201  
1 1 1 -27 5  7  o 24.42675 0.5719646 5.854735       0.2760411 4.763620       0.3649565 7.313496       0.4219860 -5.217161      1.143929  
1 1 1 -27 5  8  o 82.21466 0.9352692 67.70741       1.537843  67.99714       2.180534  67.42068       2.169186  0.3498383      1.870538  
1 1 1 -27 5  9  o 35.72030 0.5820377 12.60801       0.4131986 14.44678       0.6265180 11.19255       0.5496924 4.552078       1.164075  
1 1 1 -27 5  10 o 45.92175 0.6383685 21.10218       0.5862181 20.96099       0.8211064 21.24895       0.8372032 -0.3128242     1.276737  
1 1 1 -27 5  11 o 40.19559 0.6016510 16.16301       0.4835811 16.60392       0.6903330 15.73818       0.6776181 1.076378       1.203302  
1 1 1 -27 5  12 o 39.62932 0.6034920 15.60126       0.4765140 14.34906       0.6412972 17.14489       0.7120234 -3.524559      1.206984  
1 1 1 -27 5  13 o 59.55059 0.7396815 35.40255       0.8793201 33.98148       1.199640  37.05253       1.292656  -2.573807      1.479363  
1 1 1 -27 5  14 o 41.65079 0.6196236 17.26215       0.5146559 18.78264       0.7633629 15.99509       0.6968438 3.343487       1.239247  
1 1 1 -27 5  15 o 52.16112 0.6865780 27.17713       0.7153773 26.13285       0.9823974 28.35599       1.043783  -2.128094      1.373156  
1 1 1 -27 5  16 o 86.66013 0.9804493 74.94537       1.694328  78.98909       2.515587  71.58783       2.292240  4.254936       1.960899  
1 1 1 -27 5  17 f 62.77428 0.7711231 39.40118       0.9673346 40.69116       1.403332  38.23335       1.335242  1.953968       1.542246  
1 1 1 -27 5  18 o 60.64633 0.7546729 36.81560       0.9152523 36.46955       1.282387  37.17487       1.306679  -0.5802078     1.509346  
1 1 1 -27 5  19 o 35.54699 0.6074536 12.63810       0.4317122 12.90463       0.6206477 12.38826       0.6008978 0.7254715      1.214907  
1 1 1 -27 5  20 o 27.79699 0.6054952 7.681351       0.3351828 6.777442       0.4553712 8.750144       0.4951653 -3.546721      1.210990  
1 1 1 -27 5  21 o 74.10023 0.8715178 54.95313       1.290914  53.83473       1.790746  56.16311       1.862632  -1.566620      1.743036  
1 1 1 -27 5  22 o 61.38047 0.7654034 37.69847       0.9392751 36.87003       1.306948  38.58344       1.350809  -1.393238      1.530807  
1 1 1 -27 5  23 o 9.362585 1.214412  0.8975201      0.2194131 1.197000       0.3209696 0.6348060      0.3006227 3.130481       2.428824  
1 1 1 -27 5  24 o 46.86855 0.7258139 22.01966       0.6737152 22.18779       0.8943895 21.79914       1.024329  0.4222069      1.451628  
1 1 1 -27 5  25 o 83.75139 0.9631535 70.11958       1.610467  73.16888       2.364438  67.48070       2.199577  3.382668       1.926307  
1 1 1 -27 5  26 o 12.58680 0.9630696 1.587307       0.2420532 1.712090       0.3463868 1.468224       0.3383833 0.9680786      1.926139  
1 1 1 -27 5  27 o 11.05669 1.135265  1.270655       0.2367737 0.9170288      0.3356347 1.620988       0.3340681 -3.322736      2.270531  
1 1 1 -27 5  28 o 33.35328 0.6415034 11.07360       0.4267116 12.15582       0.6310256 10.16178       0.5792199 2.986176       1.283007  
1 1 1 -27 5  29 o 32.00001 0.8548518 10.25863       0.5470341 10.48470       0.7798238 10.03961       0.7675679 0.6944122      1.709704  
1 1 1 -27 5  30 o 96.52152 1.087716  93.42925       2.098750  95.24297       3.025167  91.74624       2.914110  1.798889       2.175432  
1 1 1 -27 5  31 o 49.77365 0.7088787 24.80421       0.7055420 25.16502       1.009593  24.45979       0.9863854 0.7067032      1.417757  
1 1 1 -27 5  32 o 28.46782 0.6689856 8.106829       0.3806731 8.366981       0.5498238 7.867309       0.5275716 0.8760033      1.337971  
1 1 1 -27 5  33 o 41.59134 0.6727324 17.27508       0.5587771 16.14255       0.7684374 18.54585       0.8139889 -2.885735      1.345465  
1 1 1 -27 5  34 o 53.03999 0.7337608 28.17346       0.7782388 27.53320       1.089569  28.84031       1.111964  -1.230259      1.467522  
1 1 1 -27 5  35 o 33.13445 0.6690699 10.99546       0.4431567 11.01619       0.6373110 10.97606       0.6166366 0.5885315E-01  1.338140  
1 1 1 -27 5  36 o 73.01706 0.8872137 53.42598       1.294873  54.67339       1.870538  52.27818       1.794294  1.631393       1.774427  
1 1 1 -27 5  37 f 31.87104 0.6874936 10.14552       0.4375587 10.78593       0.6400685 9.583671       0.5995226 1.882380       1.374987  
1 1 1 -27 5  38 o 50.23710 0.7308874 25.28900       0.7343237 25.37313       1.043883  25.20658       1.033180  0.1646919      1.461775  
1 1 1 -27 5  39 o 59.59370 0.7942137 35.60434       0.9466000 35.49995       1.338341  35.70883       1.339048  -0.1751747     1.588427  
1 1 1 -27 5  40 o 6.959248 1.656926  0.4535823      0.2763875 0.3377596      0.3975908 0.5618926      0.3844806 -1.028733      3.313852  
1 1 1 -27 5  41 f 26.56985 0.7471398 7.054243       0.3955250 6.234940       0.5442985 7.970931       0.5757384 -3.263309      1.494280  
1 1 1 -27 5  42 o 9.144162 1.606543  0.8827563      0.2961417 0.6768894      0.4217541 1.082969       0.4159222 -2.045658      3.213085  
1 1 1 -27 5  43 o 58.07804 0.7998500 33.80266       0.9285261 34.84945       1.341633  32.84032       1.286378  1.721943       1.599700  
1 1 1 -27 5  44 o 58.81819 0.8084100 34.62239       0.9496515 36.35704       1.388665  33.09849       1.301581  2.757599       1.616820  
1 1 1 -27 5  45 f 6.983338 1.732880  0.4195129      0.3058347 0.5964594      0.4388600 0.2524413      0.4264384 1.543638       3.465760  
1 1 1 -27 5  46 f 28.37485 0.7778350 8.072034       0.4412566 8.303638       0.6344596 7.855055       0.6141003 0.7874165      1.555670  
1 1 1 -27 5  47 o 35.38408 0.7561914 12.54326       0.5347659 13.14318       0.7725949 11.99150       0.7409439 1.622623       1.512383  
1 1 1 -27 5  48 o 29.47745 0.7929111 8.710008       0.4656858 7.706123       0.6452709 9.801204       0.6727464 -3.549038      1.585822  
1 1 1 -27 5  49 o 39.46640 0.7677766 15.63204       0.6058887 15.69946       0.8670065 15.56770       0.8470539 0.1635323      1.535553  
1 1 1 -27 5  50 o 9.285132 1.784393  0.9084511      0.3419950 0.7832806      0.4854566 1.031779       0.4818713 -1.170359      3.568785  
1 1 1 -27 5  51 o 47.69585 0.9850200 22.85761       0.9281763 22.63507       1.218423  23.16533       1.432747  -0.5051422     1.970040  
1 1 1 -27 5  52 o 13.14303 1.807027  1.853965       0.4608954 2.681891       0.6570113 1.051774       0.6467196 6.232802       3.614054  
1 1 1 -27 5  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 6  1  f 34.64077 0.5611348 12.00122       0.3886006 12.49833       0.5563979 11.52781       0.5429763 1.400246       1.122270  
1 1 1 -27 6  2  o 78.59409 0.9002053 61.77266       1.413264  59.90673       1.941007  63.87799       2.061770  -2.518303      1.800411  
1 1 1 -27 6  3  o 60.28426 0.7408342 36.08114       0.8882579 33.67223       1.182675  39.19838       1.345364  -4.574688      1.481668  
1 1 1 -27 6  4  o 85.83710 0.9677920 73.64993       1.658629  71.09285       2.267073  76.59505       2.433019  -3.193657      1.935584  
1 1 1 -27 6  5  f 100.3903 1.106873  101.0163       2.222218  101.8604       3.166497  100.1971       3.119414  0.8247910      2.213747  
1 1 1 -27 6  6  f 56.01188 0.7070350 30.97143       0.7851371 28.28775       1.030552  34.68403       1.212116  -5.700756      1.414070  
1 1 1 -27 6  7  o 51.37852 0.6717414 26.39985       0.6898994 25.79047       0.9569128 27.05945       0.9955650 -1.233116      1.343483  
1 1 1 -27 6  8  f 62.11174 1.113886  38.36581       1.375673  35.98783       1.829870  41.45676       2.086232  -4.382427      2.227772  
1 1 1 -27 6  9  o 23.98913 0.5685513 5.755228       0.2727024 5.904953       0.3913058 5.613844       0.3802507 0.6063080      1.137103  
1 1 1 -27 6  10 f 33.76994 0.5746307 11.36785       0.3872860 10.74087       0.5272396 12.10259       0.5707552 -2.014423      1.149261  
1 1 1 -27 6  11 o 69.38278 0.8207830 48.19349       1.138772  47.65339       1.592888  48.75810       1.628642  -0.7940292     1.641566  
1 1 1 -27 6  12 o 102.9644 1.134755  106.2570       2.336223  104.9570       3.261181  107.6276       3.348380  -1.289902      2.269509  
1 1 1 -27 6  13 o 48.77457 0.6598704 23.81049       0.6436895 23.90648       0.9093038 23.71407       0.9113284 0.1973343      1.319741  
1 1 1 -27 6  14 o 55.13201 0.7053291 30.29165       0.7754798 28.74888       1.049157  32.14957       1.151340  -3.079075      1.410658  
1 1 1 -27 6  15 o 39.27176 0.6099514 15.30996       0.4769931 14.10184       0.6393524 16.82651       0.7163323 -3.465691      1.219903  
1 1 1 -27 6  16 f 44.36406 0.6336548 19.68704       0.5620423 19.31218       0.7825767 20.08637       0.8077148 -0.8714294     1.267310  
1 1 1 -27 6  17 o 57.15796 0.7233527 32.68945       0.8266616 32.12477       1.152058  33.28877       1.186872  -1.016472      1.446705  
1 1 1 -27 6  18 o 20.08882 0.6520915 4.033355       0.2617277 4.298419       0.3773718 3.787681       0.3633064 1.270555       1.304183  
1 1 1 -27 6  19 o 39.22397 0.6268486 15.25830       0.4894690 13.88940       0.6555379 16.98305       0.7358255 -3.939991      1.253697  
1 1 1 -27 6  20 o 30.51224 0.6118311 9.314797       0.3733163 9.467266       0.5332798 9.168276       0.5227751 0.4894848      1.223662  
1 1 1 -27 6  21 o 38.90791 0.6220703 15.09938       0.4832464 14.13862       0.6616234 16.19802       0.7075089 -2.644337      1.244141  
1 1 1 -27 6  22 o 26.78107 0.6169957 7.175636       0.3303121 6.863344       0.4626158 7.500428       0.4717828 -1.188982      1.233991  
1 1 1 -27 6  23 o 42.43460 0.6452798 17.99263       0.5471553 17.22319       0.7550498 18.84351       0.7940085 -1.907139      1.290560  
1 1 1 -27 6  24 o 52.50552 0.7052714 27.60035       0.7406057 27.67327       1.050139  27.52819       1.044631  0.1378441      1.410543  
1 1 1 -27 6  25 o 36.86756 0.6300294 13.60595       0.4645121 13.39237       0.6567180 13.81980       0.6571209 -0.5796623     1.260059  
1 1 1 -27 6  26 o 70.22511 0.8477938 49.07840       1.185353  52.76307       1.782479  46.15701       1.587156  4.688782       1.695588  
1 1 1 -27 6  27 o 15.24272 0.8612420 2.328602       0.2623598 2.309687       0.3775096 2.346272       0.3648782 -0.1210222     1.722484  
1 1 1 -27 6  28 o 105.4228 1.175367  111.3909       2.474951  114.8549       3.612948  108.3283       3.397222  3.070457       2.350735  
1 1 1 -27 6  29 o 13.72445 0.9589614 1.881739       0.2588255 2.388297       0.3809435 1.447388       0.3527494 3.425115       1.917923  
1 1 1 -27 6  30 o 66.10396 0.8210322 43.78254       1.085411  43.97786       1.544393  43.59190       1.525782  0.2903290      1.642064  
1 1 1 -27 6  31 o 61.52174 0.7856717 37.92028       0.9666895 37.86847       1.371849  37.97138       1.362411  -0.8441925E-01 1.571343  
1 1 1 -27 6  32 o 17.32533 0.8122205 2.997292       0.2804454 3.375700       0.4089334 2.661293       0.3853368 2.059610       1.624441  
1 1 1 -27 6  33 o 18.78801 0.7785060 3.534763       0.2922630 3.585553       0.4237354 3.488675       0.4036409 0.2559967      1.557012  
1 1 1 -27 6  34 o 14.49155 0.9296199 2.107109       0.2692936 2.031641       0.3811813 2.182307       0.3804969 -0.5199213     1.859240  
1 1 1 -27 6  35 o 33.92162 0.6697914 11.52573       0.4541887 11.51550       0.6523857 11.53535       0.6327059 -0.3093719E-01 1.339583  
1 1 1 -27 6  36 o 19.89066 0.7905260 3.982794       0.3130280 3.602965       0.4478116 4.345724       0.4377371 -1.868162      1.581052  
1 1 1 -27 6  37 o 50.44161 0.7265344 25.41045       0.7314686 26.81600       1.077210  24.20783       0.9964133 2.577351       1.453069  
1 1 1 -27 6  38 o 33.14896 1.063963  10.99636       0.7040497 11.88522       1.031582  10.22132       0.9632771 2.499603       2.127927  
1 1 1 -27 6  39 o 19.25318 0.8388231 3.714877       0.3228396 3.882345       0.4629882 3.556391       0.4504004 0.8449554      1.677646  
1 1 1 -27 6  40 o 26.81309 0.7413051 7.207551       0.3964107 6.510684       0.5544586 7.936221       0.5669694 -2.656921      1.482610  
1 1 1 -27 6  41 o 24.81786 0.8858825 6.330540       0.4226486 5.583787       0.6770244 6.807406       0.5410210 -2.483782      1.771765  
1 1 1 -27 6  42 o 52.67591 0.9139524 27.29347       0.9025178 29.47396       1.609223  26.29290       1.090098  2.938969       1.827905  
1 1 1 -27 6  43 o 35.26341 0.9383120 12.43875       0.6603701 13.33604       0.9725042 11.67102       0.8995636 2.348774       1.876624  
1 1 1 -27 6  44 o 27.06588 0.9919991 7.358600       0.5367867 7.472007       0.7718176 7.252353       0.7470502 0.4014187      1.983998  
1 1 1 -27 6  45 o 56.95470 1.093537  32.64097       1.245355  32.66708       1.780670  32.61597       1.742351  0.3711319E-01  2.187074  
1 1 1 -27 6  46 o 47.07996 1.014409  22.20954       0.9529237 23.48519       1.407881  21.13106       1.294520  2.477448       2.028818  
1 1 1 -27 6  47 f 43.86398 1.008533  19.30283       0.8832904 17.84170       1.217848  20.92454       1.283021  -3.500793      2.017065  
1 1 1 -27 6  48 o 36.26039 0.9804696 13.22505       0.7106779 13.31296       1.023066  13.14308       0.9879544 0.2265778      1.960939  
1 1 1 -27 6  49 o 33.06878 1.002233  11.00601       0.6625736 10.92730       0.9489401 11.08088       0.9255393 -0.2373848     2.004466  
1 1 1 -27 6  50 o 41.99822 1.016362  17.75969       0.8533062 17.68561       1.224260  17.82969       1.189984  -0.1795731     2.032724  
1 1 1 -27 6  51 o 22.37263 1.170675  5.047924       0.5235121 5.234238       0.7561183 4.876371       0.7255436 0.7908669      2.341350  
1 1 1 -27 6  52 f 26.15614 1.135257  6.877677       0.5923892 6.239364       0.8133328 7.598898       0.8645399 -2.584661      2.270514  
1 1 1 -27 6  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 7  1  o 45.89558 0.8106356 21.29069       0.6858199 20.59124       1.228885  21.60708       0.8265029 -1.132900      1.621271  
1 1 1 -27 7  2  o 23.29612 0.5268057 5.364010       0.2435779 4.549344       0.3262792 6.389607       0.3660904 -3.948042      1.053611  
1 1 1 -27 7  3  o 41.10299 0.5949399 16.80804       0.4875152 15.65620       0.6582509 18.20746       0.7255534 -3.100365      1.189880  
1 1 1 -27 7  4  o 64.95922 0.7775376 42.25173       1.010159  42.32830       1.427041  42.17484       1.430125  0.1183014      1.555075  
1 1 1 -27 7  5  o 61.79490 0.7506826 38.17907       0.9269294 37.06830       1.278159  39.41130       1.346241  -1.892033      1.501365  
1 1 1 -27 7  6  o 58.68237 0.7253398 34.45679       0.8510219 33.85646       1.185415  35.09526       1.222495  -1.053577      1.450680  
1 1 1 -27 7  7  o 53.84649 0.6877474 28.79186       0.7369164 26.83917       0.9836099 31.29020       1.112581  -4.126781      1.375495  
1 1 1 -27 7  8  o 57.21324 0.7210332 32.76756       0.8250498 32.72181       1.167884  32.81313       1.165713  -0.7991409E-01 1.442066  
1 1 1 -27 7  9  o 39.58675 0.6014062 15.46437       0.4727555 13.78218       0.6255191 17.70524       0.7219576 -4.950954      1.202812  
1 1 1 -27 7  10 o 72.80508 0.9250386 52.97011       1.326952  53.81874       2.069671  52.37780       1.729101  0.9675674      1.850077  
1 1 1 -27 7  11 o 98.32095 1.089036  96.69553       2.138105  100.3356       3.132167  93.51925       2.925842  3.450623       2.178072  
1 1 1 -27 7  12 o 30.51186 0.5746574 9.271459       0.3498234 10.14168       0.5148311 8.525047       0.4768042 2.647650       1.149315  
1 1 1 -27 7  13 o 77.99106 0.8983816 60.92258       1.401304  61.13990       1.986522  60.70733       1.976998  0.2767181      1.796763  
1 1 1 -27 7  14 o 43.51500 0.6296204 18.88258       0.5468466 17.90057       0.7449183 20.03030       0.8053249 -2.444443      1.259241  
1 1 1 -27 7  15 o 85.98903 0.9760219 74.08058       1.678518  73.88790       2.366072  74.27579       2.381569  -0.2244797     1.952044  
1 1 1 -27 7  16 o 27.81873 0.5905402 7.587591       0.3246045 6.198991       0.4283212 9.461227       0.4975350 -5.860479      1.181080  
1 1 1 -27 7  17 o 50.49225 0.6766771 25.50805       0.6831923 26.05159       0.9784928 24.99104       0.9543200 1.049026       1.353354  
1 1 1 -27 7  18 o 68.93109 0.8237047 47.50952       1.134364  49.10575       1.651339  46.08327       1.560941  2.186867       1.647409  
1 1 1 -27 7  19 f 69.54443 0.8311986 48.41932       1.155813  49.16418       1.657348  47.71406       1.612698  1.039749       1.662397  
1 1 1 -27 7  20 o 41.77418 0.6357198 17.34419       0.5290321 18.87218       0.7923871 16.11533       0.7106050 3.295609       1.271440  
1 1 1 -27 7  21 o 33.36480 0.6052907 11.10757       0.4032041 11.71945       0.5919771 10.57806       0.5506921 1.708447       1.210581  
1 1 1 -27 7  22 o 19.61196 0.6861848 3.827086       0.2677986 4.413159       0.3945029 3.326220       0.3646995 2.769423       1.372370  
1 1 1 -27 7  23 f 37.54396 0.6258664 14.04545       0.4688766 15.13717       0.6915061 13.11640       0.6379147 2.688374       1.251733  
1 1 1 -27 7  24 o 43.07514 0.6537918 18.55537       0.5629578 17.91916       0.7816918 19.24090       0.8114256 -1.532539      1.307584  
1 1 1 -27 7  25 o 49.16094 0.6877885 23.97223       0.6725330 26.36480       1.018491  22.12245       0.8955386 4.307137       1.375577  
1 1 1 -27 7  26 o 18.04702 0.9367478 3.268721       0.3373815 3.522660       0.4778273 3.016260       0.4764345 1.402880       1.873496  
1 1 1 -27 7  27 o 136.4543 1.476351  187.2722       4.027930  189.9550       5.780152  184.7395       5.616098  1.887009       2.952701  
1 1 1 -27 7  28 o 70.75019 0.8568302 50.12172       1.211709  51.33101       1.750389  49.00896       1.679067  1.634705       1.713660  
1 1 1 -27 7  29 o 98.14985 1.102904  96.60713       2.163679  98.71300       3.126328  94.67120       2.997541  2.044098       2.205808  
1 1 1 -27 7  30 o 58.62069 0.7611223 34.31464       0.8907624 32.60838       1.216226  36.28890       1.308260  -3.131783      1.522245  
1 1 1 -27 7  31 o 44.34574 0.6817459 19.67909       0.6041851 20.05876       0.8748930 19.33295       0.8353702 0.8153496      1.363492  
1 1 1 -27 7  32 o 35.44488 0.6560401 12.53743       0.4639777 13.20338       0.6853408 11.97394       0.6304214 1.730106       1.312080  
1 1 1 -27 7  33 o 19.70678 0.7577623 3.902193       0.2976643 3.722530       0.4327188 4.063573       0.4101120 -0.8673611     1.515525  
1 1 1 -27 7  34 o 25.63640 0.7824352 6.264908       0.3818066 7.631501       0.6740020 5.619152       0.4633140 3.903866       1.564870  
1 1 1 -27 7  35 f 24.72303 0.8057674 6.219106       0.3848271 5.751315       0.6185314 6.514539       0.4915480 -1.556871      1.611535  
1 1 1 -27 7  36 o 44.17254 0.9257728 19.47584       0.8153843 20.86514       1.212415  18.32856       1.101766  2.857319       1.851546  
1 1 1 -27 7  37 o 24.96558 0.9350954 6.192756       0.4617518 5.011972       0.6229168 7.632945       0.6879466 -5.240850      1.870191  
1 1 1 -27 7  38 o 29.47233 0.9118950 8.686834       0.5360254 9.086595       0.7942538 8.352468       0.7263925 1.236525       1.823790  
1 1 1 -27 7  39 o 53.31904 1.018049  28.53146       1.085068  29.14257       1.565270  27.96611       1.505509  1.094311       2.036098  
1 1 1 -27 7  40 o 13.69230 1.377463  1.902337       0.3736127 1.605097       0.5290201 2.198117       0.5277185 -2.165795      2.754925  
1 1 1 -27 7  41 o 81.90535 1.246862  67.48434       2.007053  67.08491       2.603813  68.06909       3.150486  -0.4877930     2.493724  
1 1 1 -27 7  42 o 34.09249 0.8268351 11.48123       0.5473803 10.94565       0.6883543 12.40242       0.9027532 -2.105469      1.653670  
1 1 1 -27 7  43 o 38.39100 0.7654515 14.40229       0.5793414 12.58102       0.7465133 17.16022       0.9186338 -5.940605      1.530903  
1 1 1 -27 7  44 o 24.04271 0.7947242 5.798199       0.3820613 5.972499       0.5438767 5.628389       0.5368249 0.7146111      1.589448  
1 1 1 -27 7  45 o 52.44174 0.7805399 27.59320       0.8186209 27.28598       1.157473  27.90067       1.157937  -0.5860100     1.561080  
1 1 1 -27 7  46 o 35.24648 0.7424532 12.45652       0.5232312 12.67772       0.7508695 12.24771       0.7295139 0.6068420      1.484906  
1 1 1 -27 7  47 o 19.50476 0.9485171 3.831376       0.3692275 3.705845       0.5343912 3.946043       0.5107442 -0.6205254     1.897034  
1 1 1 -27 7  48 o 35.90824 0.7498326 12.92782       0.5377665 12.00802       0.7491333 13.90573       0.7724352 -2.638561      1.499665  
1 1 1 -27 7  49 o 17.52285 1.034885  3.091189       0.3626331 3.104700       0.5176219 3.078165       0.5081895 0.7351875E-01  2.069771  
1 1 1 -27 7  50 o 19.24572 1.229200  3.731529       0.4711339 3.276807       0.6493203 4.237082       0.6846505 -2.484451      2.458400  
1 1 1 -27 7  51 o 23.79052 1.150010  5.716295       0.5466760 5.632302       0.7868496 5.794668       0.7600784 -0.3489914     2.300019  
1 1 1 -27 7  52 f 32.58309 2.172640  0.000000       0.000000  ?              ?         10.79058       1.415827  ?              ?         
1 1 1 -27 8  1  o 60.87541 1.119124  37.08231       1.360779  38.96188       1.986928  35.42194       1.867484  2.896057       2.238248  
1 1 1 -27 8  2  o 34.83125 0.9586542 12.07137       0.6650876 11.21400       0.8925759 13.14164       0.9972585 -2.758663      1.917308  
1 1 1 -27 8  3  o 66.59879 1.171981  44.48082       1.560771  45.41853       2.232395  43.58418       2.182961  1.372360       2.343962  
1 1 1 -27 8  4  o 51.21056 0.8543603 26.61193       0.8133883 25.32761       1.428938  27.22754       0.9893053 -1.884899      1.708721  
1 1 1 -27 8  5  o 30.21113 0.5360327 9.125059       0.3237402 8.839038       0.4500111 9.431882       0.4660875 -0.9804783     1.072065  
1 1 1 -27 8  6  o 53.92417 0.6877646 28.96374       0.7392211 27.44446       0.9966114 30.82190       1.102174  -3.125961      1.375529  
1 1 1 -27 8  7  o 33.90588 0.5599200 11.49531       0.3795428 11.09589       0.5289109 11.91933       0.5449579 -1.213619      1.119840  
1 1 1 -27 8  8  o 64.02322 0.7719434 40.94455       0.9868234 39.42845       1.349325  42.68794       1.446941  -2.539856      1.543887  
1 1 1 -27 8  9  o 58.56591 0.7282600 34.33411       0.8529645 34.67104       1.215108  34.00679       1.197629  0.5661469      1.456520  
1 1 1 -27 8  10 f 104.2369 1.146588  108.9417       2.390150  109.8162       3.406026  108.0933       3.354919  0.8220901      2.293176  
1 1 1 -27 8  11 o 63.23074 0.7692147 40.02822       0.9727157 39.78264       1.367731  40.27956       1.383663  -0.3920326     1.538429  
1 1 1 -27 8  12 o 152.8681 1.768354  235.2676       5.350723  234.8445       8.169412  235.5856       7.080913  -0.3843689     3.536708  
1 1 1 -27 8  13 o 19.50617 0.6050591 3.798829       0.2351022 3.345700       0.3244456 4.299825       0.3411525 -2.444952      1.210118  
1 1 1 -27 8  14 o 83.51852 0.9519016 69.88681       1.590020  70.08662       2.253215  69.68862       2.244068  0.2376175      1.903803  
1 1 1 -27 8  15 f 16.72381 0.6588678 2.772577       0.2173575 2.185903       0.2931656 3.488744       0.3239082 -3.893645      1.317736  
1 1 1 -27 8  16 o 49.24082 0.6659067 24.26889       0.6557653 24.15275       0.9221286 24.38772       0.9327469 -0.2380486     1.331813  
1 1 1 -27 8  17 o 35.44315 0.5980827 12.34326       0.4200787 14.64528       0.6460679 10.65722       0.5529125 5.621601       1.196165  
1 1 1 -27 8  18 o 68.32744 0.8202897 46.67866       1.119617  45.22813       1.538202  48.31304       1.632783  -2.251213      1.640579  
1 1 1 -27 8  19 o 57.39803 0.7321632 32.84985       0.8382567 31.20156       1.135946  34.82058       1.242101  -3.146198      1.464326  
1 1 1 -27 8  20 o 67.51753 0.8170936 45.51922       1.101046  43.63088       1.499139  47.73081       1.622382  -3.027817      1.634187  
1 1 1 -27 8  21 o 80.16156 0.9272774 64.27692       1.484724  62.26702       2.037916  66.55058       2.167505  -2.661667      1.854555  
1 1 1 -27 8  22 o 19.05904 0.6841607 3.613744       0.2589218 4.277020       0.3816410 3.048081       0.3524411 3.222315       1.368321  
1 1 1 -27 8  23 o 48.50101 0.7359312 23.48974       0.7053652 23.13936       0.9254100 23.97554       1.089672  -0.8512917     1.471862  
1 1 1 -27 8  24 o 70.07590 1.065234  49.01904       1.456750  50.30471       2.345042  48.21113       1.858932  1.446114       2.130467  
1 1 1 -27 8  25 o 27.71561 0.6330201 7.691008       0.3506667 7.660383       0.5044860 7.719636       0.4877715 -0.1079216     1.266040  
1 1 1 -27 8  26 o 86.46873 0.9910882 74.90688       1.712746  76.80540       2.479431  73.17408       2.368737  2.088676       1.982176  
1 1 1 -27 8  27 o 49.52927 0.7001644 24.56326       0.6935135 24.13553       0.9746146 25.00199       0.9870561 -0.8737869     1.400329  
1 1 1 -27 8  28 o 79.95883 0.9353989 64.09695       1.495818  63.67246       2.104835  64.53005       2.126136  -0.5341797     1.870798  
1 1 1 -27 8  29 f 64.34238 0.9601647 41.91940       1.191019  39.95092       1.940708  43.10873       1.508505  -2.497940      1.920329  
1 1 1 -27 8  30 o 53.39208 0.8616346 28.91160       0.8914722 27.14385       1.428194  30.03999       1.141058  -2.739437      1.723269  
1 1 1 -27 8  31 o 32.52235 0.8388313 10.60175       0.5453867 10.19976       0.7678542 11.01102       0.7747789 -1.246552      1.677663  
1 1 1 -27 8  32 o 55.26789 1.005262  30.62942       1.110769  29.80713       1.545969  31.50688       1.597002  -1.531532      2.010525  
1 1 1 -27 8  33 o 25.11363 0.8711672 6.311236       0.4351671 5.443940       0.6005824 7.269862       0.6314129 -3.631941      1.742334  
1 1 1 -27 8  34 o 34.66094 0.8565685 11.98732       0.5920570 12.82546       0.8793649 11.29236       0.8007379 2.202690       1.713137  
1 1 1 -27 8  35 o 33.65530 0.7727326 11.46270       0.5085166 11.92265       0.6611323 10.79639       0.7957306 1.687168       1.545465  
1 1 1 -27 8  36 o 33.22420 0.7763080 10.87649       0.5008810 10.32341       0.6294571 11.83124       0.8270211 -2.248154      1.552616  
1 1 1 -27 8  37 o 33.53392 0.6865226 11.27265       0.4600908 11.08645       0.6602873 11.44838       0.6414546 -0.5414963     1.373045  
1 1 1 -27 8  38 o 58.57874 0.7871010 34.31679       0.9209174 32.71528       1.263383  36.13248       1.345213  -2.907330      1.574202  
1 1 1 -27 8  39 o 30.40768 0.7056368 9.272176       0.4288310 8.943409       0.6097250 9.593992       0.6032442 -1.070454      1.411274  
1 1 1 -27 8  40 f 76.33728 0.9276025 58.44410       1.415316  56.84968       1.959333  60.18379       2.046639  -2.170609      1.855205  
1 1 1 -27 8  41 o 42.62569 0.7146891 18.21669       0.6091552 17.75526       0.8601493 18.68098       0.8628080 -1.085548      1.429378  
1 1 1 -27 8  42 o 49.70383 0.7523696 24.77424       0.7479019 24.80908       1.060916  24.73982       1.054500  0.6882858E-01  1.504739  
1 1 1 -27 8  43 o 26.13985 0.7541946 6.861111       0.3936656 6.666424       0.5679372 7.041152       0.5461559 -0.7197056     1.508389  
1 1 1 -27 8  44 o 18.81124 0.9133396 3.586281       0.3358233 2.674345       0.4675503 4.558119       0.4826620 -5.004509      1.826679  
1 1 1 -27 8  45 o 23.62052 0.8211158 5.599775       0.3878500 5.636166       0.5538374 5.564754       0.5433192 0.1494522      1.642232  
1 1 1 -27 8  46 o 41.35128 0.7448704 17.14267       0.6155803 16.24453       0.8594957 18.08861       0.8820668 -2.226341      1.489741  
1 1 1 -27 8  47 o 5.234746 1.563183  -0.6695835E-01 0.2969404 0.2393783      0.4267764 -0.3544158     0.4134165 1.835565       3.126367  
1 1 1 -27 8  48 o 29.00675 0.7937119 8.444868       0.4602256 8.512569       0.6626453 8.381780       0.6396768 0.2214184      1.587424  
1 1 1 -27 8  49 f 14.60249 1.479605  2.186039       0.4135111 1.669883       0.5650494 2.781214       0.6067623 -3.967564      2.959209  
1 1 1 -27 8  50 o 14.03719 1.572869  2.004309       0.4411808 1.891762       0.6181257 2.121181       0.6298883 -0.8125629     3.145738  
1 1 1 -27 8  51 f 40.89808 1.024731  16.84994       0.8379503 16.35041       1.182787  17.35328       1.187307  -1.224930      2.049462  
1 1 1 -27 8  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 9  1  o 53.71856 1.058336  28.94157       1.136969  29.36075       1.609329  28.52385       1.606510  0.7786980      2.116673  
1 1 1 -27 9  2  o 95.49429 1.538759  91.65314       2.937021  93.98991       4.245862  89.50906       4.067057  2.321625       3.077519  
1 1 1 -27 9  3  o 33.93721 0.9533705 11.41152       0.6432253 10.31612       0.8551105 12.83908       0.9761813 -3.707058      1.906741  
1 1 1 -27 9  4  o 16.81507 1.244043  2.842844       0.4168393 3.142884       0.5924151 2.548640       0.5866269 1.766384       2.488086  
1 1 1 -27 9  5  o 31.31678 0.9618874 9.713346       0.5989075 8.622909       0.7987006 11.11407       0.9052337 -3.968733      1.923775  
1 1 1 -27 9  6  o 57.67044 1.094684  33.35237       1.262450  33.32708       1.770665  33.37852       1.800456  -0.4188538E-01 2.189368  
1 1 1 -27 9  7  o 53.08758 1.049195  28.25548       1.113758  28.25853       1.559529  28.25230       1.591131  0.8605957E-02  2.098390  
1 1 1 -27 9  8  o 50.32807 0.8561915 25.67576       0.7976494 24.56158       1.414354  26.19541       0.9659145 -1.653923      1.712383  
1 1 1 -27 9  9  o 61.45626 0.7520527 37.50647       0.9192332 35.02264       1.223907  40.72077       1.392295  -4.625595      1.504105  
1 1 1 -27 9  10 o 68.05398 0.8103969 46.38308       1.103010  46.56116       1.561205  46.20560       1.558583  0.2610779      1.620794  
1 1 1 -27 9  11 o 41.62327 0.6105911 17.33002       0.5081175 16.98500       0.7072129 17.69817       0.7305273 -0.8555336     1.221182  
1 1 1 -27 9  12 o 21.00772 0.5780343 4.402837       0.2413143 3.749323       0.3316082 5.138481       0.3518287 -3.305363      1.156069  
1 1 1 -27 9  13 o 67.05685 0.8049383 45.03239       1.079520  44.89110       1.522173  45.17537       1.531210  -0.2113724     1.609877  
1 1 1 -27 9  14 f 55.22009 0.9653770 29.85242       1.008751  28.47897       1.227323  32.71199       1.770933  -3.790279      1.930754  
1 1 1 -27 9  15 o 46.96507 0.6523027 22.06663       0.6125229 21.57151       0.8535369 22.59237       0.8795239 -1.085442      1.304605  
1 1 1 -27 9  16 o 40.86227 0.6228997 16.51208       0.5058824 18.65814       0.7688754 14.87388       0.6717685 4.625496       1.245799  
1 1 1 -27 9  17 o 54.24673 0.7085553 29.45348       0.7685884 29.04410       1.074171  29.88293       1.100192  -0.7716255     1.417111  
1 1 1 -27 9  18 o 53.27005 0.7031679 28.37029       0.7485372 29.39837       1.085937  27.43962       1.033213  1.835373       1.406336  
1 1 1 -27 9  19 o 63.63758 0.7842672 40.46339       0.9966439 38.93088       1.364083  42.21830       1.459706  -2.576485      1.568534  
1 1 1 -27 9  20 o 27.62818 0.6108891 7.611423       0.3365120 6.817270       0.4618652 8.510012       0.4912969 -3.061859      1.221778  
1 1 1 -27 9  21 f 28.44206 0.7630966 8.056602       0.4321840 7.071219       0.5895044 9.201687       0.6354830 -3.742130      1.526193  
1 1 1 -27 9  22 o 42.63497 0.6485599 18.19802       0.5530031 18.00674       0.7821408 18.38923       0.7819883 -0.4485703     1.297120  
1 1 1 -27 9  23 o 46.81176 0.6725929 21.74764       0.6266929 19.97487       0.8379063 23.99837       0.9441264 -4.290634      1.345186  
1 1 1 -27 9  24 o 41.60429 0.6492652 17.29956       0.5397673 16.45863       0.7459807 18.22363       0.7819840 -2.118832      1.298530  
1 1 1 -27 9  25 f 42.17780 0.7643195 17.93384       0.6205074 17.39393       1.019914  18.25112       0.7818532 -1.034752      1.528639  
1 1 1 -27 9  26 o 46.13300 0.8931478 21.30669       0.8232620 21.89534       1.196614  20.77765       1.134411  1.205563       1.786296  
1 1 1 -27 9  27 o 31.72873 0.7947440 10.07494       0.5040338 9.738613       0.6987095 10.43986       0.7278032 -1.102606      1.589488  
1 1 1 -27 9  28 o 31.10780 0.8015131 9.693014       0.4985619 9.423997       0.6986634 9.972135       0.7116622 -0.8798943     1.603026  
1 1 1 -27 9  29 o 28.91003 0.8034404 8.339302       0.4633085 7.556435       0.6340834 9.235992       0.6786153 -2.900749      1.606881  
1 1 1 -27 9  30 o 49.46329 0.8265241 24.58648       0.7904720 24.77849       0.9997095 24.26619       1.291196  0.5459099      1.653048  
1 1 1 -27 9  31 o 45.94766 0.7262599 21.10747       0.6643184 20.72266       0.8937768 21.58248       0.9930162 -0.9268494     1.452520  
1 1 1 -27 9  32 o 32.99622 0.6584809 10.88548       0.4339656 11.25671       0.6338485 10.55793       0.5953947 1.055653       1.316962  
1 1 1 -27 9  33 o 36.83768 0.6653253 13.57599       0.4895184 13.89689       0.7142708 13.29177       0.6722093 0.8176270      1.330651  
1 1 1 -27 9  34 o 18.83058 0.7981982 3.568233       0.2991922 3.193702       0.4254658 3.934622       0.4208159 -1.967833      1.596396  
1 1 1 -27 9  35 o 46.47459 0.7028433 21.64201       0.6532156 21.50446       0.9288799 21.77659       0.9187756 -0.2937469     1.405687  
1 1 1 -27 9  36 o 9.251160 1.406922  0.8973015      0.2525209 0.8442898      0.3637586 0.9466117      0.3508291 -0.5552530     2.813844  
1 1 1 -27 9  37 f 25.13992 0.7136300 6.335782       0.3564875 5.416704       0.4955413 7.321612       0.5132222 -3.786779      1.427260  
1 1 1 -27 9  38 o 33.64843 0.6931533 11.35883       0.4659057 10.90794       0.6659993 11.79097       0.6520039 -1.313599      1.386307  
1 1 1 -27 9  39 o 53.61322 0.8372375 28.41312       0.8778137 26.94024       1.116582  30.79644       1.420361  -3.555367      1.674475  
1 1 1 -27 9  40 o 48.92042 0.7364919 23.99069       0.7205080 23.51695       1.011330  24.47899       1.026750  -0.9813080     1.472984  
1 1 1 -27 9  41 o 29.22363 0.7287011 8.558457       0.4253155 7.952389       0.5940821 9.195714       0.6091757 -2.125326      1.457402  
1 1 1 -27 9  42 o 20.12766 0.8474926 4.070639       0.3405826 3.802134       0.4820378 4.338295       0.4812764 -1.332016      1.694985  
1 1 1 -27 9  43 o 24.84377 0.7788948 6.127436       0.3849768 6.991993       0.5784554 5.440038       0.5157952 3.114407       1.557790  
1 1 1 -27 9  44 o 28.15064 0.7586156 7.951568       0.4258854 7.176876       0.5955542 8.762341       0.6092657 -2.813999      1.517231  
1 1 1 -27 9  45 o 49.60382 0.7638169 24.63405       0.7566326 25.62489       1.107499  23.76678       1.036141  1.861988       1.527634  
1 1 1 -27 9  46 o 21.93691 0.8660459 4.809456       0.3783439 5.483817       0.5556300 4.226471       0.5166157 2.858387       1.732092  
1 1 1 -27 9  47 o 29.72020 0.7746111 8.855154       0.4601426 9.191646       0.6650502 8.546141       0.6373152 1.081232       1.549222  
1 1 1 -27 9  48 o 23.48218 1.039668  5.443123       0.4834136 6.453035       0.7482751 4.719685       0.6333158 3.663555       2.079336  
1 1 1 -27 9  49 o 15.88415 1.332659  2.557252       0.4223397 2.610198       0.5811777 2.498004       0.6147962 0.3640251      2.665318  
1 1 1 -27 9  50 o 19.52503 1.201662  3.843749       0.4680478 3.474706       0.6478227 4.246758       0.6769785 -1.968348      2.403324  
1 1 1 -27 9  51 o 8.406344 3.423444  0.000000       0.000000  ?              ?         0.3256015      0.9074306 ?              ?         
1 1 1 -27 10 1  o 44.38036 1.009362  19.70624       0.8947351 21.11852       1.299604  18.43364       1.233663  3.018158       2.018723  
1 1 1 -27 10 2  o 40.29763 0.9878126 16.28175       0.7958915 16.82923       1.131282  15.74521       1.119925  1.343922       1.975625  
1 1 1 -27 10 3  o 42.42116 0.9909159 17.86483       0.8365514 20.22976       1.256316  15.98094       1.121289  4.995239       1.981832  
1 1 1 -27 10 4  o 47.18768 1.023631  22.32803       0.9657493 22.34727       1.349232  22.30782       1.382944  0.4499054E-01  2.047261  
1 1 1 -27 10 5  f 23.45638 1.059670  5.515077       0.4969307 5.305536       0.6950878 5.734140       0.7107045 -0.9121304     2.119340  
1 1 1 -27 10 6  o 19.13058 1.194435  3.695266       0.4520632 3.057734       0.6365636 4.343935       0.6421002 -3.361057      2.388871  
1 1 1 -27 10 7  o 32.47951 0.9896450 10.56782       0.6426526 10.27629       0.8954742 10.87745       0.9228396 -0.9230728     1.979290  
1 1 1 -27 10 8  o 6.834741 1.828397  0.1317991      0.3863463 -0.3817004     0.5287770 0.7198436      0.5658582 -3.586634      3.656794  
1 1 1 -27 10 9  o 54.73437 0.9152200 30.10992       0.9165067 30.24477       1.095273  29.79496       1.673885  0.4554062      1.830440  
1 1 1 -27 10 10 o 64.74738 1.179445  41.95767       1.525324  44.27228       2.226707  39.91132       2.093700  3.354233       2.358890  
1 1 1 -27 10 11 o 62.69340 1.158861  39.43379       1.452914  39.54792       2.042006  39.31676       2.067694  0.1869125      2.317723  
1 1 1 -27 10 12 o 29.71242 0.7910709 8.364882       0.3990775 9.755113       0.8516164 7.973686       0.4517496 2.971266       1.582142  
1 1 1 -27 10 13 f 18.72590 0.5870974 3.509587       0.2198747 3.491594       0.3112858 3.527502       0.3106148 -0.9591293E-01 1.174195  
1 1 1 -27 10 14 o 13.44098 0.6909310 1.798164       0.1849111 1.577307       0.2519734 2.055909       0.2722044 -1.779182      1.381862  
1 1 1 -27 10 15 o 34.31480 0.9980358 11.80387       0.6849300 11.80548       0.9651700 11.80224       0.9721421 0.5329132E-02  1.996072  
1 1 1 -27 10 16 o 44.99811 0.6454523 20.24473       0.5804418 19.66312       0.8019809 20.88455       0.8411571 -1.354980      1.290905  
1 1 1 -27 10 17 o 53.56464 0.9325237 28.72432       0.9982775 29.51648       1.445776  28.00253       1.380070  1.407738       1.865047  
1 1 1 -27 10 18 o 60.58212 0.9413561 36.97241       1.130337  35.23904       1.693757  38.36427       1.517761  -2.594284      1.882712  
1 1 1 -27 10 19 f 21.90198 0.6190441 4.797180       0.2710231 4.598733       0.3770846 5.009237       0.3898008 -0.9364090     1.238088  
1 1 1 -27 10 20 o 43.69112 0.6524595 19.02841       0.5688903 17.75271       0.7749288 20.51954       0.8378104 -3.162434      1.304919  
1 1 1 -27 10 21 f 24.05049 0.6950990 5.810766       0.3264613 5.704055       0.5188628 5.880692       0.4200186 -0.3739433     1.390198  
1 1 1 -27 10 22 o 64.48005 1.080558  41.71621       1.393484  41.58136       1.969996  41.85124       1.971373  -0.2091217     2.161115  
1 1 1 -27 10 23 f 26.35498 0.7726241 6.941302       0.4066217 7.501174       0.5901323 6.435221       0.5610678 2.019974       1.545248  
1 1 1 -27 10 24 o 66.58657 1.112767  44.48822       1.481679  43.81590       2.073277  45.19002       2.118267  -1.026596      2.225534  
1 1 1 -27 10 25 o 37.09471 0.8116074 13.76947       0.6016487 14.22705       0.8724009 13.35444       0.8308395 1.172630       1.623215  
1 1 1 -27 10 26 o 53.12695 0.8508863 27.83588       0.8566381 26.92477       1.046684  29.68428       1.490827  -2.556511      1.701773  
1 1 1 -27 10 27 o 21.71029 0.6722115 4.717768       0.2917777 4.805724       0.4193880 4.635256       0.4062000 0.3916054      1.344423  
1 1 1 -27 10 28 o 44.92606 0.6752712 20.20129       0.6065522 20.72902       0.8711540 19.70474       0.8450312 1.137920       1.350542  
1 1 1 -27 10 29 o 66.08123 0.8216736 43.72779       1.085320  42.65089       1.504024  44.89780       1.567705  -1.693848      1.643347  
1 1 1 -27 10 30 f 12.63619 0.9719259 1.608793       0.2444421 1.444209       0.3486139 1.767974       0.3428451 -1.281796      1.943852  
1 1 1 -27 10 31 o 59.15495 0.7719433 35.06933       0.9132829 35.02589       1.292555  35.11264       1.290602  -0.7352066E-01 1.543887  
1 1 1 -27 10 32 o 32.74519 0.6588113 10.73894       0.4313885 10.79903       0.6163543 10.68124       0.6039846 0.1787643      1.317623  
1 1 1 -27 10 33 o 28.13218 0.6732647 7.925137       0.3783405 7.983549       0.5497872 7.872592       0.5214456 0.1946144      1.346529  
1 1 1 -27 10 34 o 17.28747 0.8355938 3.012527       0.2873742 2.749614       0.4151753 3.254350       0.3981746 -1.461784      1.671188  
1 1 1 -27 10 35 o 51.21020 0.7353449 26.24992       0.7526751 25.25533       1.043140  27.33011       1.087108  -2.021099      1.470690  
1 1 1 -27 10 36 o 27.62834 0.7005778 7.653671       0.3860882 6.950116       0.5415813 8.380724       0.5505516 -2.588104      1.401156  
1 1 1 -27 10 37 o 39.43999 0.6853478 15.52879       0.5394877 16.49521       0.7947245 14.70282       0.7347068 2.266125       1.370696  
1 1 1 -27 10 38 o 21.60538 0.7757317 4.710075       0.3321185 3.982280       0.4701107 5.435250       0.4692634 -3.362625      1.551463  
1 1 1 -27 10 39 f 28.66677 1.198799  8.231324       0.6852673 8.862823       1.018203  7.708449       0.9265029 1.994446       2.397599  
1 1 1 -27 10 40 o 19.10773 0.8575335 3.636156       0.3246124 4.408278       0.4807280 2.989028       0.4401003 3.707712       1.715067  
1 1 1 -27 10 41 o 14.88903 1.029952  2.234613       0.3054222 2.000236       0.4318374 2.469196       0.4320268 -1.574819      2.059904  
1 1 1 -27 10 42 o 34.00532 0.7184485 11.58841       0.4883620 11.77545       0.7043090 11.41521       0.6777526 0.5261726      1.436897  
1 1 1 -27 10 43 o 27.29265 0.7623348 7.475725       0.4159281 7.351019       0.5941972 7.595530       0.5824024 -0.4496975     1.524670  
1 1 1 -27 10 44 o 51.82907 0.7752135 26.92646       0.8029842 27.64333       1.162912  26.27320       1.110109  1.313583       1.550427  
1 1 1 -27 10 45 o 24.04385 0.8224303 5.792910       0.3950502 6.073395       0.5753271 5.542683       0.5434088 1.097954       1.644861  
1 1 1 -27 10 46 o 15.92518 1.141382  2.599572       0.3573749 2.194397       0.5263143 2.946198       0.4868039 -2.370268      2.282763  
1 1 1 -27 10 47 o 41.53149 0.9348404 17.07529       0.7653697 18.89486       1.209918  15.86146       0.9882172 3.605278       1.869681  
1 1 1 -27 10 48 o 19.35537 1.217781  3.777085       0.4703969 3.443252       0.6518338 4.139870       0.6795125 -1.791552      2.435561  
1 1 1 -27 10 49 f 32.65356 1.000719  10.73112       0.6533047 11.05377       0.9389964 10.42840       0.9095327 0.9501457      2.001439  
1 1 1 -27 10 50 o 26.08760 1.097618  6.819552       0.5708951 7.519438       0.8463090 6.235136       0.7733502 2.441961       2.195235  
1 1 1 -27 10 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 11 1  o 5.821986 1.763421  -0.2397586     0.4006736 -0.7842439     0.5664904 0.3052949      0.5667859 -2.500637      3.526842  
1 1 1 -27 11 2  o 22.00585 1.172113  4.754419       0.5071078 3.686243       0.6687084 6.200061       0.7779394 -5.698471      2.344226  
1 1 1 -27 11 3  o 44.20403 1.022978  19.60022       0.9043415 19.86058       1.279714  19.34048       1.278152  0.5881310      2.045956  
1 1 1 -27 11 4  o 10.09256 1.976695  1.056892       0.4109256 1.013744       0.5534651 1.109894       0.6134219 -0.4573736     3.953391  
1 1 1 -27 11 5  o 30.38287 1.036162  9.270786       0.6287985 9.714250       0.8831663 8.814878       0.8954722 1.481333       2.072325  
1 1 1 -27 11 6  o 34.24266 1.012540  11.65945       0.6904954 10.50474       0.9291600 13.08369       1.031920  -3.755508      2.025081  
1 1 1 -27 11 7  o 33.83923 1.023845  11.43897       0.6889408 13.27559       1.006704  9.821088       0.9448537 5.098221       2.047691  
1 1 1 -27 11 8  o 45.51656 1.036240  20.70488       0.9415435 19.58952       1.284483  22.00011       1.384188  -2.638226      2.072479  
1 1 1 -27 11 9  f 72.29696 1.271691  52.38029       1.836489  54.75422       2.680466  50.28006       2.521217  3.075256       2.543382  
1 1 1 -27 11 10 f 25.32709 1.100628  6.438200       0.5570735 6.738961       0.7883734 6.138281       0.7872698 1.185730       2.201256  
1 1 1 -27 11 11 o 64.31329 1.043844  41.35913       1.339690  43.23905       1.975691  39.75900       1.822752  2.690678       2.087688  
1 1 1 -27 11 12 o 15.61853 0.6643471 2.457852       0.2061560 2.189480       0.2965895 2.708722       0.2867562 -1.662868      1.328694  
1 1 1 -27 11 13 f 31.51645 1.070205  10.77371       0.5832251 11.78137       0.6916551 8.294174       1.084966  5.569004       2.140411  
1 1 1 -27 11 14 o 8.582003 1.964231  0.7068126      0.3981531 0.4187163      0.5794747 0.9644535      0.5479904 -2.123831      3.928462  
1 1 1 -27 11 15 f 31.57514 1.027661  9.984151       0.6478586 10.84027       0.9339780 9.190209       0.8994198 2.609533       2.055323  
1 1 1 -27 11 16 o 53.05927 1.085950  28.23821       1.152170  27.98299       1.610820  28.50556       1.648667  -0.4884682     2.171899  
1 1 1 -27 11 17 o 40.84537 0.8885968 16.51806       0.6920309 17.38240       1.185320  16.07108       0.8523886 1.576321       1.777194  
1 1 1 -27 11 18 o 69.53528 1.185176  0.000000       0.000000  ?              ?         48.44792       1.648231  ?              ?         
1 1 1 -27 11 19 o 61.90173 1.046193  38.43341       1.295097  37.71294       1.819704  39.17294       1.843619  -1.176735      2.092385  
1 1 1 -27 11 20 f 20.91452 0.7412644 4.363919       0.3090907 3.906469       0.4239207 4.883139       0.4516351 -2.332783      1.482529  
1 1 1 -27 11 21 o 5.327291 1.405048  0.1867391      0.2116481 0.3511852      0.2921591 0.5132215E-02  0.3070251 1.532701       2.810095  
1 1 1 -27 11 22 o 54.73557 0.8545042 29.88033       0.8958089 29.52971       1.113223  30.52450       1.508900  -0.8734818     1.709008  
1 1 1 -27 11 23 o 34.18588 0.6240976 11.69757       0.4266518 11.94032       0.6086183 11.46300       0.5982684 0.6974373      1.248195  
1 1 1 -27 11 24 o 33.02227 0.6237878 10.91810       0.4119650 10.85023       0.5836069 10.98551       0.5816113 -0.2049713     1.247576  
1 1 1 -27 11 25 o 44.83323 0.6703523 20.06789       0.6000819 21.21281       0.8801193 19.07326       0.8203206 2.381638       1.340705  
1 1 1 -27 11 26 o 8.157854 1.263965  0.6790022      0.2098199 0.3740761      0.2877002 1.025459       0.3066674 -3.899336      2.527929  
1 1 1 -27 11 27 o 48.19274 0.6925215 23.22935       0.6669720 24.14163       0.9666710 22.40045       0.9214358 1.802753       1.385043  
1 1 1 -27 11 28 o 39.90045 0.6524194 15.94144       0.5205348 16.06743       0.7447060 15.82109       0.7278773 0.3073425      1.304839  
1 1 1 -27 11 29 o 34.96198 0.6472654 12.13204       0.4505157 13.50629       0.6769606 11.03956       0.6035846 3.521683       1.294531  
1 1 1 -27 11 30 o 31.70359 0.6561470 10.06672       0.4159288 10.09145       0.5956065 10.04318       0.5810867 0.7486534E-01  1.312294  
1 1 1 -27 11 31 o 56.12133 0.7540190 31.56417       0.8463270 31.63237       1.199131  31.49647       1.194655  0.1206207      1.508038  
1 1 1 -27 11 32 f 42.38731 0.6898425 17.91189       0.5832587 16.32132       0.7955577 19.76039       0.8576415 -4.050884      1.379685  
1 1 1 -27 11 33 o 31.67705 0.6631930 10.05645       0.4199648 9.812988       0.5979264 10.29349       0.5899930 -0.7591782     1.326386  
1 1 1 -27 11 34 o 59.79385 0.7872947 35.57595       0.9375200 32.98611       1.257163  38.82082       1.407193  -4.861874      1.574589  
1 1 1 -27 11 35 o 37.17879 0.6745253 13.84533       0.5013717 13.32101       0.7034762 14.38659       0.7147518 -1.431927      1.349051  
1 1 1 -27 11 36 o 47.05228 0.7177532 22.17249       0.6751989 21.54507       0.9402111 22.84063       0.9702478 -1.373447      1.435506  
1 1 1 -27 11 37 o 38.01711 0.6822439 14.46536       0.5181781 14.86717       0.7541236 14.10596       0.7132153 0.9965858      1.364488  
1 1 1 -27 11 38 o 26.70206 0.7247806 7.133136       0.3866496 7.531037       0.5620692 6.775704       0.5327206 1.410679       1.449561  
1 1 1 -27 11 39 o 28.30519 1.241264  8.079322       0.6974815 8.023338       1.050204  8.123503       0.9329495 -0.2025318     2.482529  
1 1 1 -27 11 40 o 41.66779 0.7154011 17.40822       0.5960989 17.07043       0.8430109 17.74601       0.8430114 -0.8106689     1.430802  
1 1 1 -27 11 41 o 28.46863 0.7405343 8.091154       0.4203835 9.019903       0.6160682 7.281902       0.5750710 3.046913       1.481069  
1 1 1 -27 11 42 o 45.94810 0.7414032 21.16318       0.6810861 20.44210       0.9507530 21.92330       0.9761514 -1.608154      1.482806  
1 1 1 -27 11 43 o 64.29382 0.8534809 41.42967       1.096115  43.02458       1.599411  40.01718       1.505161  2.322716       1.706962  
1 1 1 -27 11 44 o 19.32542 0.9305438 3.724160       0.3573720 4.373017       0.5298425 3.182601       0.4840561 3.070820       1.861088  
1 1 1 -27 11 45 o 21.26260 0.9289674 4.554540       0.3922525 4.466069       0.5876835 4.625618       0.5267610 -0.3877430     1.857935  
1 1 1 -27 11 46 o 47.66664 0.9502431 22.80872       0.8979505 23.16429       1.367948  22.53950       1.190293  0.6177254      1.900486  
1 1 1 -27 11 47 o 18.88670 1.183943  3.618626       0.4418625 2.949672       0.6188059 4.314542       0.6311528 -3.609913      2.367887  
1 1 1 -27 11 48 o 40.62278 0.9833334 16.57104       0.7978367 17.61627       1.163936  15.64465       1.095770  2.409859       1.966667  
1 1 1 -27 11 49 o 39.54759 0.9998857 15.71443       0.7898056 16.38810       1.154017  15.12084       1.083247  1.584927       1.999771  
1 1 1 -27 11 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 12 1  o 65.92128 1.208176  43.42107       1.586764  41.14659       2.133485  46.23666       2.373739  -3.828659      2.416353  
1 1 1 -27 12 2  o 11.92358 1.871804  1.503276       0.4365902 1.791909       0.6128879 1.205921       0.6220783 2.396044       3.743608  
1 1 1 -27 12 3  o 44.95159 1.047995  20.22875       0.9408823 19.45736       1.289841  21.10602       1.375503  -1.824257      2.095990  
1 1 1 -27 12 4  o 79.53510 1.364812  63.60105       2.170853  64.58440       3.089897  62.64257       3.050582  1.215080       2.729624  
1 1 1 -27 12 5  o 37.11253 1.020643  13.81478       0.7569180 14.59950       1.078826  13.05398       1.062254  2.080433       2.041286  
1 1 1 -27 12 6  o 27.88636 1.082431  7.815478       0.6000533 8.938502       0.8589529 6.744995       0.8386195 3.930653       2.164862  
1 1 1 -27 12 7  o 36.49303 1.031288  13.34864       0.7523682 13.00346       1.045338  13.71964       1.083719  -0.9771271     2.062576  
1 1 1 -27 12 8  o 53.19684 1.097863  28.33832       1.166804  29.96500       1.695636  26.87531       1.608066  2.894039       2.195727  
1 1 1 -27 12 9  f 52.60370 1.088266  27.71044       1.142950  26.85957       1.562266  28.69031       1.676528  -1.727264      2.176531  
1 1 1 -27 12 10 o 34.72545 1.032040  11.98743       0.7135148 10.74652       0.9591156 13.52529       1.067724  -3.989502      2.064080  
1 1 1 -27 12 11 o 31.28682 1.044410  9.768841       0.6517540 8.919316       0.8874735 10.76343       0.9602625 -2.939291      2.088820  
1 1 1 -27 12 12 o 54.65144 0.9794849 30.30328       1.052497  27.75386       1.603975  32.23102       1.394767  -4.117004      1.958970  
1 1 1 -27 12 13 o 63.06678 0.7751088 39.58763       0.9735586 42.59216       1.460937  37.18755       1.305738  4.272408       1.550218  
1 1 1 -27 12 14 o 31.36787 0.5763417 9.840899       0.3611859 9.217949       0.5035707 10.50092       0.5183374 -2.044165      1.152683  
1 1 1 -27 12 15 o 34.52130 0.6669347 11.58706       0.4422881 13.15235       0.7561038 10.77286       0.5453181 3.431805       1.333869  
1 1 1 -27 12 16 o 28.66665 0.7026045 8.236139       0.4024945 8.011403       0.5757332 8.450977       0.5629097 -0.7676411     1.405209  
1 1 1 -27 12 17 o 72.72673 1.462625  52.21387       1.946239  55.73780       3.617974  50.77888       2.308746  3.211891       2.925251  
1 1 1 -27 12 18 o 38.62119 0.7816383 14.86642       0.6016668 15.84285       0.8975577 14.06960       0.8108104 2.288567       1.563277  
1 1 1 -27 12 19 o 17.76789 1.002456  3.161721       0.3562305 3.161721       0.3562305 ?              ?         ?              ?         
1 1 1 -27 12 20 o 16.40712 1.229216  2.849616       0.3692375 3.120657       0.4535356 2.316834       0.6358696 2.472491       2.458432  
1 1 1 -27 12 21 o 29.93801 1.068862  8.911380       0.6354188 10.56717       0.9455433 7.547838       0.8580503 5.032507       2.137724  
1 1 1 -27 12 22 o 19.61575 1.322188  3.851028       0.5145320 4.584010       0.7545912 3.214093       0.7034173 3.484400       2.644377  
1 1 1 -27 12 23 o 55.53894 1.128139  30.97112       1.253082  31.27082       1.777758  30.67519       1.766546  0.5347862      2.256277  
1 1 1 -27 12 24 f 28.76851 1.097790  8.227104       0.6281449 9.510017       0.9393183 7.189297       0.8448368 4.021339       2.195580  
1 1 1 -27 12 25 o 25.56887 0.9784536 6.195144       0.4613106 7.500766       0.8679108 5.681053       0.5446106 3.520605       1.956907  
1 1 1 -27 12 26 o 41.65883 0.8795825 17.45759       0.6584172 17.27304       1.239436  17.53014       0.7771393 -0.3573914     1.759165  
1 1 1 -27 12 27 o 31.30215 0.8969041 9.792621       0.4839422 9.893877       0.9768205 9.759684       0.5571198 0.1680641      1.793808  
1 1 1 -27 12 28 o 20.14135 0.7192621 4.053318       0.2892872 4.268157       0.4238082 3.865890       0.3958493 0.9959698      1.438524  
1 1 1 -27 12 29 o 27.54143 0.6567715 7.514990       0.3594757 8.794773       0.5387772 6.488174       0.4826001 4.182558       1.313543  
1 1 1 -27 12 30 o 43.69382 0.6813990 19.12281       0.5952455 19.22583       0.8543217 19.02562       0.8298216 0.2268295      1.362798  
1 1 1 -27 12 31 f 37.07937 0.6686305 13.66273       0.4938575 15.18998       0.7381323 12.42500       0.6644970 3.721664       1.337261  
1 1 1 -27 12 32 f 56.83559 0.7618094 32.37520       0.8658426 32.57943       1.236161  32.17851       1.213136  0.3501854      1.523619  
1 1 1 -27 12 33 o 23.99525 0.7145762 5.763543       0.3400479 4.803499       0.4693311 6.824449       0.4933697 -4.208654      1.429152  
1 1 1 -27 12 34 o 32.25582 0.6757948 10.43012       0.4356229 10.24925       0.6253167 10.60067       0.6072099 -0.5465508     1.351590  
1 1 1 -27 12 35 o 61.82061 0.8067926 38.18315       0.9953718 36.17890       1.354300  40.53770       1.467888  -3.511112      1.613585  
1 1 1 -27 12 36 o 61.72375 0.8082149 38.21466       0.9976977 37.84787       1.407328  38.58527       1.414616  -0.5963554     1.616430  
1 1 1 -27 12 37 o 35.54490 0.6944648 12.64616       0.4926596 11.53953       0.6836471 13.84172       0.7105850 -3.235153      1.388930  
1 1 1 -27 12 38 o 42.69483 0.7110006 18.23041       0.6063088 17.04333       0.8358851 19.54840       0.8807753 -2.928062      1.422001  
1 1 1 -27 12 39 o 60.71847 1.229779  37.14764       1.493401  37.19271       2.115244  37.10285       2.108745  0.7257843E-01  2.459558  
1 1 1 -27 12 40 o 19.68599 0.8391355 3.887779       0.3302768 3.961024       0.4745204 3.818954       0.4599827 0.3585815      1.678271  
1 1 1 -27 12 41 o 63.77318 0.8434679 40.83106       1.075777  40.74272       1.526662  40.91820       1.516149  -0.1393204     1.686936  
1 1 1 -27 12 42 o 34.78905 0.7310935 12.14273       0.5084736 11.74589       0.7191948 12.53935       0.7189858 -1.140415      1.462187  
1 1 1 -27 12 43 o 54.58766 0.8840151 30.01166       0.9474263 29.55508       1.483012  30.32651       1.231497  -0.7541428     1.768030  
1 1 1 -27 12 44 f 6.947743 1.837864  0.3767299      0.3344061 0.3440018      0.5660628 0.3942749      0.4144594 0.4115605      3.675727  
1 1 1 -27 12 45 o 11.27127 2.239384  1.139945       0.4353826 1.751590       1.015683  1.002255       0.4819027 3.080372       4.478768  
1 1 1 -27 12 46 o 31.20161 1.332414  10.44624       0.7464364 8.405582       1.323119  11.39891       0.9040340 -4.920597      2.664827  
1 1 1 -27 12 47 o 21.04330 1.593034  0.000000       0.000000  ?              ?         4.468122       0.6704538 ?              ?         
1 1 1 -27 12 48 o 32.39461 2.237630  0.000000       0.000000  ?              ?         10.67594       1.449743  ?              ?         
1 1 1 -27 12 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 13 1  o 40.81391 1.045940  16.69793       0.8524007 16.36768       1.167969  17.07430       1.246846  -0.8558426     2.091879  
1 1 1 -27 13 2  o 15.07483 1.718993  2.309227       0.4829754 1.362107       0.6415849 3.547860       0.7337079 -7.403728      3.437987  
1 1 1 -27 13 3  o 45.91531 1.061708  21.13550       0.9739552 20.67108       1.341513  21.65314       1.416289  -1.060314      2.123416  
1 1 1 -27 13 4  o 48.35413 1.068504  23.45441       1.032738  24.60236       1.477273  22.35713       1.444308  2.317688       2.137009  
1 1 1 -27 13 5  o 57.09954 1.137862  32.73404       1.299017  33.86480       1.846723  31.62658       1.827601  1.957516       2.275724  
1 1 1 -27 13 6  o 71.33403 1.275194  51.14341       1.819221  51.32642       2.564102  50.95791       2.581522  0.2607346      2.550388  
1 1 1 -27 13 7  o 60.53395 1.160001  36.70244       1.401997  35.28740       1.915778  38.33412       2.057215  -2.498737      2.320002  
1 1 1 -27 13 8  o 52.08942 1.101737  27.23490       1.147671  27.67059       1.623445  26.79963       1.622658  0.8359337      2.203475  
1 1 1 -27 13 9  o 52.82397 1.097484  27.97435       1.158193  27.38069       1.594423  28.63755       1.685208  -1.178989      2.194968  
1 1 1 -27 13 10 o 44.48487 1.053346  19.81771       0.9361721 19.03816       1.288362  20.68977       1.362654  -1.848011      2.106692  
1 1 1 -27 13 11 o 60.81144 1.170482  37.04807       1.421342  35.68859       1.944872  38.60651       2.082324  -2.382004      2.340964  
1 1 1 -27 13 12 o 31.03365 1.505764  0.000000       0.000000  ?              ?         9.663815       0.9345868 ?              ?         
1 1 1 -27 13 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 13 14 o 25.71344 0.6463660 6.163835       0.3207355 8.852709       0.5415945 4.711470       0.3980402 8.042728       1.292732  
1 1 1 -27 13 15 f 99.94310 1.541338  100.5791       3.080229  99.20448       4.301088  102.0264       4.413281  -1.393089      3.082676  
1 1 1 -27 13 16 o 46.68201 0.6942508 21.44629       0.6370713 19.92113       0.8168168 23.81494       1.017930  -4.155373      1.388502  
1 1 1 -27 13 17 o 58.95642 0.7535054 34.81992       0.8884783 34.74078       1.255437  34.89933       1.257562  -0.1342812     1.507011  
1 1 1 -27 13 18 o 67.87057 1.241877  45.83249       1.674211  42.61224       2.215719  50.11762       2.555947  -5.482010      2.483755  
1 1 1 -27 13 19 o 29.97000 0.6092119 8.992825       0.3648729 8.523825       0.5127082 9.474096       0.5193727 -1.584909      1.218424  
1 1 1 -27 13 20 o 25.88511 0.6119728 6.680714       0.3161086 7.140236       0.4664341 6.290378       0.4298889 1.639015       1.223946  
1 1 1 -27 13 21 o 27.98281 0.6189023 7.797719       0.3454296 8.517440       0.5108146 7.191276       0.4688955 2.366562       1.237805  
1 1 1 -27 13 22 o 47.26106 0.6813363 22.27174       0.6423935 23.79591       0.9505751 20.99053       0.8715265 2.961514       1.362673  
1 1 1 -27 13 23 o 18.38551 0.7399983 3.358280       0.2709298 3.792935       0.4041214 3.003430       0.3651421 2.143553       1.479997  
1 1 1 -27 13 24 o 36.66153 0.6468273 13.43419       0.4736733 13.97467       0.6914688 12.95631       0.6501861 1.385506       1.293655  
1 1 1 -27 13 25 o 16.80926 0.8235537 2.725231       0.2691856 3.842982       0.4248619 1.975617       0.3479316 5.546505       1.647107  
1 1 1 -27 13 26 o 34.22250 0.6534037 11.72945       0.4465836 10.90471       0.6256098 12.58635       0.6376927 -2.455875      1.306807  
1 1 1 -27 13 27 o 51.93169 0.7294341 26.99008       0.7571137 26.07889       1.047862  27.98535       1.095143  -1.830898      1.458868  
1 1 1 -27 13 28 o 37.00937 0.7351556 13.30129       0.5298632 12.00326       0.6647146 15.56354       0.8775344 -4.788643      1.470311  
1 1 1 -27 13 29 o 32.85673 0.7469748 10.53665       0.4802075 9.557168       0.6080806 12.15969       0.7827600 -3.942398      1.493950  
1 1 1 -27 13 30 f 30.84580 0.9456375 10.09883       0.5268845 11.00137       0.6397954 8.196823       0.9287798 4.582996       1.891275  
1 1 1 -27 13 31 o 45.09300 0.9189349 20.47840       0.7620133 20.59411       0.9145161 20.21559       1.378191  0.4804497      1.837870  
1 1 1 -27 13 32 o 11.08943 1.733467  1.407845       0.4074347 2.115376       0.5333529 0.4163727      0.6313680 6.808157       3.466934  
1 1 1 -27 13 33 o 26.85312 1.041676  7.156441       0.5451382 6.871391       0.6905975 7.627709       0.8879694 -1.377157      2.083352  
1 1 1 -27 13 34 o 45.19255 0.9869153 20.24960       0.8622512 19.52266       1.079310  21.53204       1.433560  -2.166878      1.973831  
1 1 1 -27 13 35 o 25.51622 1.113928  6.709250       0.5481851 7.263341       0.7067172 5.872281       0.8685790 2.756159       2.227856  
1 1 1 -27 13 36 o 44.24760 1.003423  19.23468       0.8537014 18.16034       1.056533  21.25550       1.449032  -3.428406      2.006847  
1 1 1 -27 13 37 o 52.19717 1.035924  26.83924       1.040053  25.48084       1.288999  29.37350       1.760620  -3.642845      2.071849  
1 1 1 -27 13 38 f 44.93993 1.007938  20.22999       0.8840317 19.98409       1.129461  20.61888       1.420368  -0.6539116     2.015875  
1 1 1 -27 13 39 f 55.06401 1.212625  30.50097       1.334164  28.89658       1.843714  32.26457       1.933039  -3.037903      2.425249  
1 1 1 -27 13 40 o 24.30931 1.211521  6.037659       0.5739725 6.357727       0.7450079 5.570247       0.9003052 1.656422       2.423043  
1 1 1 -27 13 41 o 40.79995 0.9751800 16.31877       0.7309605 15.71478       0.8679389 17.79223       1.355647  -2.451393      1.950360  
1 1 1 -27 13 42 o 18.58186 1.358204  3.317285       0.4734846 3.021410       0.5670557 3.998557       0.8604613 -2.542341      2.716408  
1 1 1 -27 13 43 o 19.05104 1.232239  3.683953       0.4596184 3.561892       0.7216278 3.767267       0.5961863 -0.5730171     2.464478  
1 1 1 -27 13 44 o 33.67885 0.9587386 11.26227       0.6321526 12.10665       1.017862  10.73208       0.8065600 1.995392       1.917477  
1 1 1 -27 13 45 o 15.11712 1.487690  2.341400       0.4423538 2.178194       0.6761970 2.463495       0.5848611 -0.9752741     2.975379  
1 1 1 -27 13 46 o 8.740991 2.062018  0.6889361      0.4176866 1.027808       0.6814705 0.4850305      0.5286200 2.449907       4.124035  
1 1 1 -27 13 47 o 43.77058 1.028614  19.31560       0.8986990 17.85177       1.266171  20.80176       1.275789  -3.367401      2.057228  
1 1 1 -27 13 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 14 1  o 43.79238 1.081593  19.18333       0.9452363 18.11583       1.285900  20.43820       1.394189  -2.636486      2.163186  
1 1 1 -27 14 2  f 9.663713 1.962075  0.8699680      0.4694650 1.659240       0.6523252 0.2195529E-01  0.6761641 5.801080       3.924150  
1 1 1 -27 14 3  f 26.21690 1.180385  6.879033       0.6169282 6.149782       0.8459071 7.707651       0.9016994 -2.962961      2.360771  
1 1 1 -27 14 4  o 77.05569 1.345364  59.69169       2.071683  58.45923       2.861973  61.04831       3.002693  -1.656914      2.690729  
1 1 1 -27 14 5  o 25.77502 1.169387  6.674447       0.6028069 6.731147       0.8532802 6.617954       0.8517172 0.2193565      2.338774  
1 1 1 -27 14 6  o 65.44862 1.224110  43.04073       1.601778  42.67459       2.232305  43.42932       2.299711  -0.5667725     2.448219  
1 1 1 -27 14 7  f 22.46128 1.263644  5.093232       0.5643173 5.307693       0.7678674 4.841373       0.8321311 1.047583       2.527287  
1 1 1 -27 14 8  o 56.48211 1.140410  32.04164       1.288160  32.42483       1.819302  31.65639       1.824175  0.6808968      2.280821  
1 1 1 -27 14 9  o 37.48273 1.543671  0.000000       0.000000  ?              ?         14.10459       1.157220  ?              ?         
1 1 1 -27 14 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 14 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 14 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 14 13 o 27.42873 1.577655  7.554052       0.8654613 7.554052       0.8654613 ?              ?         ?              ?         
1 1 1 -27 14 14 o 58.05946 1.166650  33.86223       1.354530  34.51332       1.916990  33.21303       1.914201  1.119419       2.333300  
1 1 1 -27 14 15 o 58.58099 0.7438272 34.35255       0.8710530 33.52499       1.208838  35.24628       1.256238  -1.465023      1.487654  
1 1 1 -27 14 16 o 41.35185 0.6309074 17.11862       0.5216274 17.27289       0.7482637 16.97276       0.7275570 0.3613586      1.261815  
1 1 1 -27 14 17 o 49.25840 0.6858265 24.29098       0.6754953 23.69305       0.9435905 24.91953       0.9674453 -1.242989      1.371653  
1 1 1 -27 14 18 o 76.12291 0.9008058 58.05727       1.370523  56.80657       1.896803  59.42349       1.982457  -1.709564      1.801612  
1 1 1 -27 14 19 o 15.17364 0.7295538 2.321058       0.2191510 2.193132       0.3291013 2.422980       0.2937545 -0.7605343     1.459108  
1 1 1 -27 14 20 o 13.25384 0.8111398 1.792070       0.2111965 1.509266       0.3119498 2.031389       0.2869657 -1.972192      1.622280  
1 1 1 -27 14 21 o 34.65586 0.6210412 11.97011       0.4292189 12.77277       0.6372408 11.30356       0.5807053 2.115261       1.242082  
1 1 1 -27 14 22 f 38.65863 0.6453047 14.82727       0.4965304 13.19134       0.6673305 16.85620       0.7431767 -4.733688      1.290609  
1 1 1 -27 14 23 o 40.98015 0.6555890 16.78070       0.5365365 17.54992       0.7852079 16.10699       0.7348474 1.756165       1.311178  
1 1 1 -27 14 24 o 27.80230 0.6555321 7.688854       0.3627953 8.282374       0.5462652 7.220470       0.4852732 1.904367       1.311064  
1 1 1 -27 14 25 o 56.97291 0.7604694 32.50518       0.8659798 33.22987       1.251685  31.83983       1.199351  1.214520       1.520939  
1 1 1 -27 14 26 f 54.33453 0.7471814 29.42747       0.8095641 27.52789       1.094895  31.71856       1.202441  -3.845379      1.494363  
1 1 1 -27 14 27 o 36.35112 0.6642631 13.22513       0.4822493 12.26751       0.6718102 14.24316       0.6926752 -2.715534      1.328526  
1 1 1 -27 14 28 f 43.52851 0.6883642 18.91756       0.5981863 17.56427       0.8198535 20.45811       0.8747376 -3.318672      1.376728  
1 1 1 -27 14 29 o 46.47878 0.7047898 21.63893       0.6549525 21.95658       0.9403926 21.33971       0.9127129 0.6607552      1.409580  
1 1 1 -27 14 30 o 15.08836 0.9337552 2.296761       0.2787060 2.197020       0.4214405 2.374288       0.3715554 -0.5942297     1.867510  
1 1 1 -27 14 31 o 39.09174 0.6783197 15.29912       0.5296977 15.55512       0.7708216 15.07006       0.7291273 0.6161613      1.356639  
1 1 1 -27 14 32 o 19.89185 0.8003508 4.002275       0.3149481 3.691299       0.4703006 4.255134       0.4240839 -1.423105      1.600702  
1 1 1 -27 14 33 o 66.86916 0.8478063 44.59769       1.129738  41.78997       1.520579  48.05717       1.687865  -4.662155      1.695613  
1 1 1 -27 14 34 o 25.48627 0.7439440 6.500310       0.3768434 6.627161       0.5678817 6.400496       0.5037391 0.4363251      1.487888  
1 1 1 -27 14 35 o 40.20145 0.7109055 16.18280       0.5701953 14.66693       0.7920176 17.81382       0.8215488 -3.910213      1.421811  
1 1 1 -27 14 36 o 28.96597 0.7353389 8.459771       0.4219212 7.089349       0.5946302 9.849319       0.5987648 -4.763624      1.470678  
1 1 1 -27 14 37 f 43.35411 0.7311029 18.85304       0.6333390 17.83341       0.8919291 19.89000       0.8994718 -2.370846      1.462206  
1 1 1 -27 14 38 o 50.50301 0.7638489 25.50830       0.7703070 23.78879       1.057792  27.44970       1.123975  -3.614723      1.527698  
1 1 1 -27 14 39 o 28.38291 1.285896  8.001037       0.7211362 8.954232       1.130922  7.347898       0.9361473 2.779837       2.571791  
1 1 1 -27 14 40 f 55.08341 0.7973559 30.43066       0.8777245 28.76508       1.224645  32.18997       1.258632  -3.103279      1.594712  
1 1 1 -27 14 41 o 12.52061 1.489130  1.542198       0.3416529 1.829394       0.6154295 1.414259       0.4107623 1.368579       2.978260  
1 1 1 -27 14 42 f 14.26542 1.417952  2.063231       0.3909545 2.049808       0.6397477 2.071232       0.4939114 -0.1202679     2.835904  
1 1 1 -27 14 43 o 26.48553 1.023909  7.078022       0.5363427 6.949409       0.8178815 7.175059       0.7104253 -0.4507599     2.047818  
1 1 1 -27 14 44 o 9.502646 1.989390  0.8295891      0.4104604 1.417215       0.6759229 0.4863022      0.5166247 4.034448       3.978780  
1 1 1 -27 14 45 o 11.80709 1.877653  1.508695       0.4267949 1.330927       0.6744173 1.627445       0.5512105 -1.286978      3.755306  
1 1 1 -27 14 46 o 10.66949 1.841712  1.269651       0.4175629 0.5925264      0.6630402 1.714728       0.5375550 -4.659411      3.683424  
1 1 1 -27 14 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 15 1  o 34.39598 1.113874  11.89288       0.7658622 12.25541       1.078797  11.52452       1.087440  1.063763       2.227748  
1 1 1 -27 15 2  o 10.44895 2.206932  1.109514       0.4985802 0.9050424      0.6797833 1.347558       0.7334713 -1.758718      4.413864  
1 1 1 -27 15 3  f 28.34646 1.154846  8.071504       0.6545318 7.891606       0.9126174 8.262056       0.9392528 -0.6493187     2.309692  
1 1 1 -27 15 4  o 34.63129 1.101103  12.02270       0.7618198 11.49803       1.048174  12.61019       1.109162  -1.596825      2.202206  
1 1 1 -27 15 5  o 47.42870 1.097058  22.53234       1.039022  21.48176       1.421786  23.73645       1.522141  -2.362511      2.194117  
1 1 1 -27 15 6  o 28.59383 1.168133  8.222484       0.6675596 8.439533       0.9354212 7.997217       0.9529671 0.7760983      2.336265  
1 1 1 -27 15 7  o 39.85464 1.548695  0.000000       0.000000  ?              ?         15.95300       1.234454  ?              ?         
1 1 1 -27 15 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 15 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 15 10 o 9.948098 3.083007  1.004573       0.6762871 1.004573       0.6762871 ?              ?         ?              ?         
1 1 1 -27 15 11 f 28.05733 1.164368  7.860734       0.6511515 7.313779       0.8778188 8.529889       0.9709414 -2.153543      2.328737  
1 1 1 -27 15 12 o 66.18598 1.244818  44.04372       1.647658  44.83586       2.340924  43.26602       2.319504  1.182571       2.489635  
1 1 1 -27 15 13 o 53.20756 1.138353  28.27448       1.206783  26.61511       1.622597  30.32852       1.805281  -3.463306      2.276707  
1 1 1 -27 15 14 o 65.58600 1.236201  43.25133       1.621471  43.30701       2.282670  43.19461       2.303687  0.8898163E-01  2.472403  
1 1 1 -27 15 15 o 64.62367 1.229427  41.99216       1.588911  42.30420       2.240897  41.67665       2.253275  0.4874802      2.458855  
1 1 1 -27 15 16 o 49.78230 0.6807743 24.81600       0.6776400 25.18882       0.9716209 24.46292       0.9455657 0.7267990      1.361549  
1 1 1 -27 15 17 o 28.00507 0.5829044 7.844222       0.3261334 8.024374       0.4743693 7.682743       0.4491111 0.6080322      1.165809  
1 1 1 -27 15 18 o 9.176240 0.9996546 0.8336965      0.1738129 1.180572       0.2695346 0.5867615      0.2274151 3.347288       1.999309  
1 1 1 -27 15 19 o 16.38259 0.6968318 2.724936       0.2252578 2.334777       0.3294087 3.067629       0.3087220 -2.238571      1.393664  
1 1 1 -27 15 20 o 23.68024 0.6284028 5.460551       0.2934197 6.829879       0.4599212 4.520662       0.3810377 4.869186       1.256806  
1 1 1 -27 15 21 o 32.00780 0.6211819 10.26777       0.3970842 9.608085       0.5602868 10.93348       0.5628456 -2.070213      1.242364  
1 1 1 -27 15 22 o 42.82140 0.6602243 18.16391       0.5616351 20.13431       0.8572084 16.68186       0.7434312 4.021008       1.320449  
1 1 1 -27 15 23 o 22.39305 0.6636552 5.035650       0.2961907 4.845520       0.4324155 5.203701       0.4065352 -0.8021030     1.327310  
1 1 1 -27 15 24 o 31.43813 0.6380671 9.870893       0.4002628 10.29980       0.5907411 9.506869       0.5442294 1.256975       1.276134  
1 1 1 -27 15 25 o 44.39591 0.6866410 19.72402       0.6093114 18.89460       0.8458057 20.61884       0.8785179 -1.938698      1.373282  
1 1 1 -27 15 26 o 13.78786 0.9759353 1.999561       0.2565075 1.440980       0.3861330 2.440753       0.3431688 -3.631390      1.951871  
1 1 1 -27 15 27 f 54.03883 0.7444225 29.12814       0.8024558 27.31424       1.088087  31.29116       1.188198  -3.668789      1.488845  
1 1 1 -27 15 28 o 11.04250 1.122398  1.180438       0.2432329 1.527682       0.3887518 0.9570532      0.3118040 2.571061       2.244796  
1 1 1 -27 15 29 o 32.29939 0.6733792 10.48370       0.4336708 9.889952       0.6260882 11.03130       0.6012705 -1.769367      1.346758  
1 1 1 -27 15 30 f 38.83996 0.6838594 15.09866       0.5304013 13.95673       0.7371601 16.32444       0.7637477 -3.045124      1.367719  
1 1 1 -27 15 31 o 25.99128 0.7143288 6.772118       0.3694355 6.770634       0.5508967 6.773331       0.4980175 -0.1157951E-01 1.428658  
1 1 1 -27 15 32 f 31.58672 0.6968516 10.02054       0.4378436 8.738084       0.6138005 11.34916       0.6247533 -4.131861      1.393703  
1 1 1 -27 15 33 o 19.00381 0.8497384 3.654199       0.3196969 3.369461       0.4757900 3.888572       0.4316635 -1.372372      1.699477  
1 1 1 -27 15 34 o 24.97006 0.7558554 6.313758       0.3732363 5.741727       0.5551796 6.785503       0.5041711 -2.096819      1.511711  
1 1 1 -27 15 35 o 7.018348 1.656328  0.4742676      0.2706289 0.4148154      0.4334631 0.5122463      0.3464485 -0.2080770     3.312656  
1 1 1 -27 15 36 o 40.55551 0.7158046 16.40106       0.5778215 17.39129       0.8694284 15.61766       0.7733157 2.173683       1.431609  
1 1 1 -27 15 37 o 50.55103 0.7606622 25.63083       0.7687697 24.68506       1.078950  26.60611       1.095652  -1.897602      1.521324  
1 1 1 -27 15 38 o 37.06446 0.7699178 13.68320       0.5605203 14.30604       0.8886875 13.27175       0.7223164 1.369644       1.539836  
1 1 1 -27 15 39 o 10.02623 3.310627  0.000000       0.000000  ?              ?         0.9995036      0.7711468 ?              ?         
1 1 1 -27 15 40 f 9.061746 1.897546  0.8508191      0.3559257 0.8139389      0.6169039 0.8692213      0.4357691 -0.2856445E-01 3.795091  
1 1 1 -27 15 41 o 29.30241 0.9738945 8.701180       0.5656741 8.039465       0.8377280 9.255764       0.7669212 -2.090567      1.947789  
1 1 1 -27 15 42 f 32.14200 0.9592886 10.35825       0.6110761 10.64358       0.9344931 10.14510       0.8076920 0.7475739      1.918577  
1 1 1 -27 15 43 f 41.36367 0.9716932 17.09430       0.7985681 18.27982       1.215050  16.19282       1.059545  2.486111       1.943386  
1 1 1 -27 15 44 o 14.92462 1.437175  2.193786       0.4209910 2.612768       0.6801732 1.933600       0.5359986 2.223025       2.874350  
1 1 1 -27 15 45 o 19.85986 1.315826  4.223252       0.4880501 2.623849       0.7127199 5.635408       0.6697013 -7.594948      2.631653  
1 1 1 -27 15 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 16 1  o 44.65313 1.120590  20.03731       0.9996083 21.35642       1.426936  18.76618       1.400747  2.896194       2.241181  
1 1 1 -27 16 2  o 57.00181 1.182647  32.58458       1.345678  31.31898       1.835334  34.05595       1.978920  -2.376865      2.365294  
1 1 1 -27 16 3  o 42.84579 1.119726  18.28320       0.9550352 16.70021       1.278367  20.28261       1.436704  -4.155983      2.239452  
1 1 1 -27 16 4  o 26.93231 1.236164  7.272192       0.6647306 6.847048       0.9092601 7.760274       0.9742426 -1.684387      2.472328  
1 1 1 -27 16 5  o 22.15469 3.395500  0.000000       0.000000  ?              ?         5.017524       1.504525  ?              ?         
1 1 1 -27 16 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 16 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 16 8  o 11.43773 2.351222  1.319673       0.5643715 1.093761       0.7310317 1.652972       0.8879387 -2.157511      4.702443  
1 1 1 -27 16 9  o 58.21350 1.191662  34.06942       1.386770  33.98005       1.930780  34.16467       1.993080  -0.1485329     2.383324  
1 1 1 -27 16 10 o 30.83453 1.153583  9.532752       0.7080612 10.88721       1.028214  8.311148       0.9764870 4.169195       2.307167  
1 1 1 -27 16 11 o 28.84409 1.177246  8.339129       0.6779439 7.956510       0.9258434 8.781446       0.9954518 -1.418922      2.354492  
1 1 1 -27 16 12 o 17.37844 1.592535  3.056215       0.5520911 2.923696       0.7985339 3.177568       0.7641500 -0.7378082     3.185071  
1 1 1 -27 16 13 o 34.11584 1.102490  11.67953       0.7515423 12.41572       1.081428  10.99186       1.045181  2.081394       2.204979  
1 1 1 -27 16 14 o 72.39381 1.316754  52.75825       1.906433  53.07105       2.690743  52.44294       2.701497  0.4357300      2.633509  
1 1 1 -27 16 15 o 56.99540 1.168681  32.47061       1.327505  30.54556       1.788021  34.83510       1.981623  -3.732368      2.337362  
1 1 1 -27 16 16 o 79.65331 1.399416  63.92365       2.229292  63.89182       3.139942  63.95599       3.165606  -0.3540039E-01 2.798832  
1 1 1 -27 16 17 o 38.38937 0.6169163 14.70487       0.4727504 13.61313       0.6475038 15.95122       0.6918358 -3.041508      1.233833  
1 1 1 -27 16 18 o 18.96037 0.6133295 3.551886       0.2309899 4.064169       0.3519697 3.164320       0.3061417 2.369131       1.226659  
1 1 1 -27 16 19 o 18.68208 0.6456409 3.486497       0.2405303 3.612397       0.3564544 3.381246       0.3259157 0.6159306      1.291282  
1 1 1 -27 16 20 o 51.36490 1.143096  26.51919       1.174271  26.51000       1.654735  26.52851       1.666670  -0.1611710E-01 2.286192  
1 1 1 -27 16 21 o 64.76750 0.8119318 42.00140       1.050637  43.26605       1.528635  40.86911       1.446423  1.840961       1.623864  
1 1 1 -27 16 22 o 31.25680 0.6290086 9.696106       0.3911515 10.67657       0.5913691 8.933537       0.5215328 2.781921       1.258017  
1 1 1 -27 16 23 f 39.91032 0.6555597 15.89377       0.5219595 16.82798       0.7723293 15.10835       0.7081621 2.148232       1.311119  
1 1 1 -27 16 24 f 25.49490 0.6469610 6.545393       0.3277806 5.748255       0.4666983 7.321392       0.4604681 -3.085783      1.293922  
1 1 1 -27 16 25 o 53.09927 0.7399572 28.26007       0.7857088 28.23419       1.120511  28.28511       1.102039  -0.4996490E-01 1.479914  
1 1 1 -27 16 26 o 25.92253 0.6780046 6.772470       0.3493996 6.215601       0.5084137 7.270860       0.4809784 -2.038204      1.356009  
1 1 1 -27 16 27 o 55.30753 0.7559382 30.63865       0.8355898 31.38699       1.209505  29.95537       1.155733  1.287842       1.511876  
1 1 1 -27 16 28 o 7.360356 1.409819  0.4620960      0.2289685 0.9754902      0.3755832 0.1584330      0.2888528 4.585399       2.819638  
1 1 1 -27 16 29 o 36.42615 0.6733282 13.31780       0.4897933 12.67403       0.6995974 13.93670       0.6859490 -1.734764      1.346656  
1 1 1 -27 16 30 o 34.39359 0.6781172 11.82386       0.4648017 12.22338       0.6915661 11.49470       0.6277201 1.051723       1.356234  
1 1 1 -27 16 31 f 66.80788 0.8497950 44.79480       1.135401  44.66729       1.612588  44.92014       1.598900  -0.1912918     1.699590  
1 1 1 -27 16 32 o 9.579824 1.434050  0.9880305      0.2638872 0.7675728      0.4235654 1.127884       0.3373608 -2.013565      2.868099  
1 1 1 -27 16 33 o 33.36232 0.7096910 11.19826       0.4714232 10.03870       0.6695358 12.33833       0.6638862 -3.447168      1.419382  
1 1 1 -27 16 34 o 26.01155 0.7422147 6.801280       0.3827014 6.664843       0.5779994 6.907784       0.5106748 -0.4763355     1.484429  
1 1 1 -27 16 35 f 51.71381 0.7599859 26.82625       0.7856529 25.70321       1.103998  27.97858       1.118302  -2.197834      1.519972  
1 1 1 -27 16 36 o 53.47263 0.8266864 28.71450       0.8734469 28.63228       1.342387  28.77487       1.150236  -0.1649361     1.653373  
1 1 1 -27 16 37 o 53.07895 0.9057637 28.49955       0.9252681 27.59536       1.520165  29.03166       1.166164  -1.418739      1.811527  
1 1 1 -27 16 38 o 52.02636 1.213209  27.81742       1.125087  26.19975       2.115627  28.45531       1.328523  -2.373135      2.426418  
1 1 1 -27 16 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 16 40 o 39.89559 0.9442241 16.03146       0.7514626 14.68749       1.061409  17.38213       1.064053  -3.376553      1.888448  
1 1 1 -27 16 41 f 37.08497 0.9413715 13.85727       0.6954673 13.54674       1.023574  14.12356       0.9478621 -0.7943764     1.882743  
1 1 1 -27 16 42 o 54.52497 1.051257  29.97381       1.145729  28.83037       1.621437  31.11407       1.619177  -2.094780      2.102514  
1 1 1 -27 16 43 o 43.18837 0.9716328 18.79272       0.8370036 18.53006       1.224766  19.02288       1.146509  -0.5893631     1.943266  
1 1 1 -27 16 44 o 34.55826 1.211058  12.25370       0.7533302 11.62401       1.396804  12.51198       0.8945871 -1.430157      2.422115  
1 1 1 -27 17 1  o 9.066515 2.211266  0.5355327      0.5290734 -0.5155261E-01 0.6893805 1.376872       0.8252661 -4.850176      4.422531  
1 1 1 -27 17 2  o 41.90560 1.163408  17.65965       0.9750658 17.64359       1.378803  17.67572       1.379100  -0.3827286E-01 2.326816  
1 1 1 -27 17 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 17 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 17 5  o 16.36506 3.666809  2.856436       1.170205  2.856436       1.170205  ?              ?         ?              ?         
1 1 1 -27 17 6  o 14.60619 1.917032  2.210977       0.5468990 2.388940       0.7646066 2.024554       0.7825701 1.505452       3.834064  
1 1 1 -27 17 7  o 23.34599 1.315715  5.489389       0.6142495 5.587712       0.8680495 5.390780       0.8693117 0.4220066      2.631430  
1 1 1 -27 17 8  o 33.97128 1.146196  11.61581       0.7775856 11.91944       1.079627  11.28853       1.120877  0.9353561      2.292392  
1 1 1 -27 17 9  o 14.46465 1.892663  2.187037       0.5269045 2.232005       0.7562841 2.144620       0.7345042 0.2899628      3.785326  
1 1 1 -27 17 10 o 34.61719 1.130063  12.03600       0.7820710 11.59393       1.090250  12.50459       1.122485  -1.310158      2.260126  
1 1 1 -27 17 11 o 13.41745 1.938866  1.884622       0.5326272 0.7057397      0.7309634 3.219092       0.7777047 -8.879354      3.877733  
1 1 1 -27 17 12 f 17.89351 1.542740  3.216420       0.5456374 3.949008       0.8025066 2.586595       0.7440953 3.794342       3.085479  
1 1 1 -27 17 13 o 20.59887 1.408550  4.278819       0.5798735 4.090044       0.8196021 4.468021       0.8205284 -0.9172840     2.817100  
1 1 1 -27 17 14 o 43.53052 1.112181  18.98845       0.9666975 18.08668       1.321805  20.02541       1.417432  -2.211674      2.224362  
1 1 1 -27 17 15 o 35.97231 1.134550  12.97285       0.8151299 12.30449       1.118319  13.73042       1.190610  -1.970219      2.269101  
1 1 1 -27 17 16 o 80.09185 1.409274  64.51345       2.253341  62.25108       3.076868  67.13039       3.309214  -2.998779      2.818547  
1 1 1 -27 17 17 f 14.27305 0.5769312 2.034068       0.1641200 2.107816       0.2441487 1.973270       0.2216768 0.4694481      1.153862  
1 1 1 -27 17 18 o 50.91184 0.7009915 25.91598       0.7129626 24.74141       0.9804759 27.23393       1.038595  -2.441929      1.401983  
1 1 1 -27 17 19 o 49.75655 0.6972673 24.78185       0.6933718 25.44117       1.004011  24.18068       0.9587082 1.262043       1.394535  
1 1 1 -27 17 20 f 58.92236 0.7681245 34.80401       0.9051753 34.66077       1.282473  34.94619       1.277762  -0.2427330     1.536249  
1 1 1 -27 17 21 o 19.29801 0.6737828 3.668729       0.2575684 4.198290       0.3993880 3.291653       0.3370166 2.342840       1.347566  
1 1 1 -27 17 22 o 26.65448 0.6372573 7.129817       0.3384916 6.949608       0.4967354 7.286039       0.4624955 -0.6343632     1.274515  
1 1 1 -27 17 23 o 33.10531 0.6405064 10.98437       0.4237664 10.82716       0.6086155 11.13231       0.5903923 -0.4626770     1.281013  
1 1 1 -27 17 24 o 32.22128 0.6472583 10.39626       0.4164251 10.49505       0.6078528 10.30889       0.5716420 0.2851334      1.294517  
1 1 1 -27 17 25 o 26.04368 0.6584125 6.778989       0.3418605 7.006771       0.5073238 6.589530       0.4626816 0.7961597      1.316825  
1 1 1 -27 17 26 f 40.73125 0.6801112 16.62420       0.5537068 16.72419       0.7979881 16.53135       0.7689390 0.2333336      1.360222  
1 1 1 -27 17 27 o 17.87257 0.8083478 3.165020       0.2857683 3.463941       0.4451556 2.955485       0.3727031 1.412180       1.616696  
1 1 1 -27 17 28 o 17.45369 0.8374059 2.956820       0.2874833 3.720946       0.4574913 2.458189       0.3695643 3.604472       1.674812  
1 1 1 -27 17 29 o 11.81082 1.118091  1.449096       0.2526559 1.225159       0.4032067 1.593869       0.3241972 -1.576081      2.236182  
1 1 1 -27 17 30 o 57.87563 0.7875868 33.58894       0.9114627 32.71279       1.276639  34.49988       1.301733  -1.540394      1.575174  
1 1 1 -27 17 31 o 16.05289 0.9306893 2.614338       0.2920192 2.458078       0.4571408 2.722057       0.3795528 -0.8352413     1.861379  
1 1 1 -27 17 32 o 59.80163 0.8098847 35.85866       0.9682454 34.61768       1.348052  37.18110       1.391597  -2.136585      1.619769  
1 1 1 -27 17 33 o 36.17824 0.7533431 13.16718       0.5355013 12.92658       0.8356116 13.33487       0.6975702 -0.5846252     1.506686  
1 1 1 -27 17 34 o 27.78561 0.7892284 7.933720       0.4277445 6.599455       0.6440954 8.986463       0.5721243 -4.306522      1.578457  
1 1 1 -27 17 35 o 29.33684 0.8882893 8.818991       0.5107353 7.352440       0.7572160 10.04305       0.6917879 -4.597515      1.776579  
1 1 1 -27 17 36 o 29.62595 0.8837355 8.979625       0.5141238 7.526956       0.7585808 10.21379       0.6992050 -4.546045      1.767471  
1 1 1 -27 17 37 f 48.79212 0.9707924 23.96134       0.9467742 23.26324       1.347952  24.64107       1.330108  -1.415768      1.941585  
1 1 1 -27 17 38 o 33.50332 0.9253809 11.36627       0.6150619 9.885193       0.8806627 12.77665       0.8593854 -4.319525      1.850762  
1 1 1 -27 17 39 o 24.70880 1.566690  6.154176       0.7742206 6.154176       0.7742206 ?              ?         ?              ?         
1 1 1 -27 17 40 o 6.438377 1.835250  0.1487721      0.3496462 0.3957905      0.6037406 0.2411350E-01  0.4288911 2.057059       3.670500  
1 1 1 -27 17 41 o 29.23538 0.9652557 8.622329       0.5565714 8.489614       0.8580729 8.718717       0.7312682 -0.4225445     1.930511  
1 1 1 -27 17 42 o 35.70667 0.9609659 12.85921       0.6817318 12.56962       1.018074  13.09462       0.9179151 -0.7585716     1.921932  
1 1 1 -27 17 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 18 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 18 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 18 3  o 81.77938 2.046525  67.52115       3.347271  67.52115       3.347271  ?              ?         ?              ?         
1 1 1 -27 18 4  f 38.70273 1.167575  15.07620       0.9034085 15.36588       1.268374  14.77792       1.287056  0.7630310      2.335150  
1 1 1 -27 18 5  o 12.50992 2.192469  1.666844       0.5579155 1.157048       0.7921714 2.168588       0.7858896 -3.703724      4.384937  
1 1 1 -27 18 6  o 24.43583 1.364470  6.042593       0.6634359 6.698638       0.9342895 5.375333       0.9422411 2.709364       2.728940  
1 1 1 -27 18 7  o 21.45086 1.461365  4.660645       0.6244630 5.035368       0.8723542 4.266828       0.8943028 1.796219       2.922731  
1 1 1 -27 18 8  o 9.375362 2.309108  0.7930053      0.5370786 1.020938       0.7644789 0.5708652      0.7547029 1.524564       4.618217  
1 1 1 -27 18 9  o 19.99259 1.515323  4.047214       0.6040809 4.323963       0.8443927 3.757085       0.8645630 1.422258       3.030646  
1 1 1 -27 18 10 o 14.62231 1.910446  2.212967       0.5453203 1.926017       0.7647889 2.509743       0.7777736 -2.238742      3.820892  
1 1 1 -27 18 11 o 14.93463 1.882474  2.298847       0.5509081 2.373949       0.7797077 2.223979       0.7784973 0.7385635      3.764947  
1 1 1 -27 18 12 o 44.46257 1.137493  19.80134       1.009492  18.66636       1.375909  21.12463       1.485676  -2.745914      2.274987  
1 1 1 -27 18 13 o 38.73417 1.156845  15.07925       0.8956931 14.84853       1.242584  15.32880       1.292280  -0.6114120     2.313689  
1 1 1 -27 18 14 o 18.79460 1.588674  3.582744       0.5943632 3.954013       0.8369915 3.205083       0.8441675 1.994101       3.177349  
1 1 1 -27 18 15 o 47.77471 1.140917  22.84545       1.087277  21.53286       1.473777  24.41306       1.610601  -2.990932      2.281834  
1 1 1 -27 18 16 o 25.43016 1.307085  6.516485       0.6640449 6.907535       0.9433094 6.132335       0.9349490 1.522522       2.614170  
1 1 1 -27 18 17 o 33.92868 1.153202  11.44325       0.7772613 9.841108       1.041709  13.45546       1.167430  -5.304190      2.306405  
1 1 1 -27 18 18 f 30.11794 0.5787401 9.069118       0.3479145 9.313576       0.5110416 8.857938       0.4749852 0.7531605      1.157480  
1 1 1 -27 18 19 o 34.95901 0.6154517 12.22245       0.4298159 11.43492       0.5958133 13.07700       0.6206499 -2.346142      1.230903  
1 1 1 -27 18 20 o 35.71746 0.6250831 12.76270       0.4457272 13.06234       0.6531950 12.50158       0.6097518 0.7805519      1.250166  
1 1 1 -27 18 21 o 28.77357 1.055445  8.183842       0.5568507 7.982319       0.6620256 8.671296       1.029622  -1.133181      2.110890  
1 1 1 -27 18 22 o 43.27362 0.6770391 18.77275       0.5858010 18.42318       0.8325788 19.11547       0.8243774 -0.8008575     1.354078  
1 1 1 -27 18 23 o 10.09356 1.078592  1.079775       0.2021359 0.8805382      0.3192870 1.213042       0.2611299 -1.802275      2.157185  
1 1 1 -27 18 24 o 36.00842 0.6569778 13.00346       0.4725584 12.77535       0.6818528 13.21429       0.6555218 -0.6125298     1.313956  
1 1 1 -27 18 25 o 16.64189 0.7793548 2.758805       0.2556935 2.888156       0.4005684 2.669857       0.3321706 0.6464920      1.558710  
1 1 1 -27 18 26 o 47.58020 0.7155443 22.69750       0.6808240 22.22800       0.9612390 23.17012       0.9644302 -0.9896278     1.431089  
1 1 1 -27 18 27 o 30.10552 0.6740825 9.044649       0.4042923 9.512753       0.6043300 8.665428       0.5439381 1.400019       1.348165  
1 1 1 -27 18 28 o 23.89422 0.7389479 5.802138       0.3483310 4.913820       0.5066758 6.598259       0.4796624 -3.528353      1.477896  
1 1 1 -27 18 29 o 16.24125 0.8929474 2.595931       0.2848831 2.923968       0.4570581 2.387522       0.3643076 1.636020       1.785895  
1 1 1 -27 18 30 o 9.794426 1.394260  0.9873254      0.2582954 1.079599       0.4172382 0.9299898      0.3288947 0.6918440      2.788520  
1 1 1 -27 18 31 o 33.13683 0.7361133 10.81443       0.4781831 11.99243       0.7708095 10.07744       0.6096836 2.865957       1.472227  
1 1 1 -27 18 32 o 57.82663 0.9308793 33.61043       1.033854  33.57825       1.720680  33.62862       1.293338  -0.1224861     1.861759  
1 1 1 -27 18 33 o 16.40061 1.106456  2.697609       0.3499891 2.753590       0.5797710 2.665512       0.4390031 0.2360935      2.212912  
1 1 1 -27 18 34 o 72.40852 1.145991  52.94345       1.644353  52.25769       2.491287  53.47283       2.188885  -0.9160843     2.291981  
1 1 1 -27 18 35 o 21.13922 1.016573  4.623570       0.4161434 3.871430       0.6417630 5.169278       0.5466453 -3.090687      2.033146  
1 1 1 -27 18 36 o 28.22570 0.9057243 8.089659       0.5052813 7.333487       0.7521892 8.711463       0.6820934 -2.454990      1.811449  
1 1 1 -27 18 37 o 39.98854 0.9166837 16.07980       0.7312343 14.58574       1.022663  17.64274       1.045974  -3.817432      1.833367  
1 1 1 -27 18 38 o 20.24184 1.056595  3.992441       0.4174945 4.754075       0.6874744 3.547435       0.5254925 2.939287       2.113191  
1 1 1 -27 18 39 o 27.92664 0.9677380 7.974857       0.5318720 6.813420       0.7849663 8.960670       0.7231871 -3.859335      1.935476  
1 1 1 -27 18 40 f 39.44337 0.9408836 15.35716       0.7310413 17.33213       1.161349  14.06102       0.9408268 4.095642       1.881767  
1 1 1 -27 18 41 f 8.926634 2.006048  0.8725168      0.4144689 -0.2555339E-01 0.8984289 1.115320       0.4671491 -2.676563      4.012097  
1 1 1 -27 19 1  o 44.11768 1.704994  19.60493       1.504407  19.60493       1.504407  ?              ?         ?              ?         
1 1 1 -27 19 2  o 68.53417 1.327563  47.38390       1.819447  48.31664       2.576859  46.45660       2.569330  1.355255       2.655126  
1 1 1 -27 19 3  o 49.92325 1.203865  25.04730       1.200422  24.04373       1.646534  26.18595       1.753849  -2.122742      2.407731  
1 1 1 -27 19 4  o 54.17208 1.206107  29.49666       1.304665  28.52253       1.785207  30.61338       1.911400  -1.903034      2.412215  
1 1 1 -27 19 5  o 57.70195 1.235463  33.49760       1.424320  32.49956       1.961130  34.61171       2.072027  -1.806198      2.470925  
1 1 1 -27 19 6  o 47.33448 1.176574  22.51713       1.112399  21.78729       1.526534  23.34351       1.624357  -1.623760      2.353148  
1 1 1 -27 19 7  o 53.92983 1.207174  29.18753       1.298844  27.87734       1.763088  30.74244       1.920703  -2.623306      2.414348  
1 1 1 -27 19 8  o 43.29684 1.177377  18.87254       1.019516  18.92263       1.446771  18.82314       1.436907  0.1128883      2.354753  
1 1 1 -27 19 9  o 39.33757 1.172379  15.58282       0.9219889 16.05529       1.301567  15.10696       1.306224  1.206310       2.344757  
1 1 1 -27 19 10 o 39.58786 1.162612  15.77715       0.9203364 16.01719       1.296351  15.53322       1.306816  0.6133423      2.325224  
1 1 1 -27 19 11 o 12.60594 2.147840  1.677566       0.5522247 2.372428       0.7963912 1.034056       0.7663992 4.867517       4.295681  
1 1 1 -27 19 12 o 24.42795 1.353856  5.980552       0.6575591 5.137161       0.8945050 6.972160       0.9699251 -3.738592      2.707711  
1 1 1 -27 19 13 o 38.54347 1.147112  14.95368       0.8840697 15.26091       1.247018  14.64322       1.253534  0.8025665      2.294224  
1 1 1 -27 19 14 o 22.32834 1.429198  5.017943       0.6349353 4.345816       0.8725898 5.774254       0.9256234 -3.185749      2.858396  
1 1 1 -27 19 15 o 55.03191 1.204996  30.49292       1.325831  30.24110       1.848325  30.75982       1.902880  -0.4599342     2.409993  
1 1 1 -27 19 16 o 43.80596 1.177347  19.26220       1.029725  18.34301       1.406739  20.32324       1.511388  -2.238811      2.354695  
1 1 1 -27 19 17 o 10.61883 2.268228  1.118500       0.5429565 0.6645192      0.7469177 1.627213       0.7906610 -3.500156      4.536457  
1 1 1 -27 19 18 f 16.73347 1.803249  2.900966       0.5802940 2.315661       0.8113995 3.513774       0.8302444 -3.794215      3.606498  
1 1 1 -27 19 19 o 12.56133 0.6745390 1.555458       0.1671066 1.733713       0.2639453 1.436210       0.2158828 1.178488       1.349078  
1 1 1 -27 19 20 o 50.52440 0.9763597 24.86806       0.8574495 24.11028       0.9850593 27.23757       1.741904  -2.967564      1.952719  
1 1 1 -27 19 21 o 31.96968 1.004025  10.56529       0.5261313 10.79677       0.5968703 9.758657       1.114177  1.709904       2.008050  
1 1 1 -27 19 22 o 41.02530 1.038629  16.73401       0.7976688 16.39893       0.9658046 17.45308       1.414808  -1.203396      2.077258  
1 1 1 -27 19 23 o 11.77809 1.988926  1.150002       0.5824507 2.858158       0.8832207 -0.1645417     0.7748057 9.965090       3.977851  
1 1 1 -27 19 24 o 46.25916 1.203243  21.48476       1.111347  22.93637       1.628551  20.21958       1.520381  2.913097       2.406486  
1 1 1 -27 19 25 o 21.49113 1.531760  4.709328       0.6519954 3.996111       0.9277352 5.405359       0.9164893 -3.281801      3.063520  
1 1 1 -27 19 26 f 49.48444 1.208173  24.67830       1.195681  24.52303       1.693468  24.83265       1.688438  -0.3139954     2.416346  
1 1 1 -27 19 27 o 19.08189 1.772205  3.691095       0.6727319 3.825233       1.011976  3.584876       0.9005211 0.5914593      3.544410  
1 1 1 -27 19 28 o 29.63699 1.679732  8.257074       0.9029449 10.54021       1.764197  7.446715       1.051042  4.981359       3.359463  
1 1 1 -27 19 29 o 15.60887 2.950152  0.000000       0.000000  ?              ?         2.572793       0.8873997 ?              ?         
1 1 1 -27 19 30 o 9.247540 2.892278  0.000000       0.000000  ?              ?         0.8720373      0.5933776 ?              ?         
1 1 1 -27 19 31 o 17.92127 1.931916  0.000000       0.000000  ?              ?         3.248680       0.6924475 ?              ?         
1 1 1 -27 19 32 o 28.88629 1.782245  0.000000       0.000000  ?              ?         8.427958       1.029649  ?              ?         
1 1 1 -27 19 33 o 28.80708 1.855302  0.000000       0.000000  ?              ?         8.387497       1.068917  ?              ?         
1 1 1 -27 19 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 19 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 19 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 19 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 19 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 19 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 19 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 20 1  o 64.59660 1.306518  42.00690       1.684719  40.55362       2.298695  43.69345       2.476312  -2.386395      2.613035  
1 1 1 -27 20 2  o 41.35688 1.202603  17.19969       0.9926851 16.73219       1.354030  17.74296       1.459650  -1.198433      2.405206  
1 1 1 -27 20 3  o 54.59067 1.226223  29.79660       1.332663  27.63340       1.783246  32.53299       2.005634  -4.437733      2.452445  
1 1 1 -27 20 4  o 83.79752 1.494322  71.00655       2.503799  70.42364       3.496753  71.61987       3.586776  -0.6894913     2.988644  
1 1 1 -27 20 5  o 35.22976 1.247815  12.48434       0.8783216 11.83153       1.212313  13.20558       1.274270  -1.936302      2.495631  
1 1 1 -27 20 6  o 36.77179 1.237903  13.56482       0.9083334 12.65027       1.236244  14.63781       1.339062  -2.679886      2.475806  
1 1 1 -27 20 7  o 60.39346 1.265105  36.68103       1.525657  35.32251       2.087214  38.23964       2.235636  -2.381809      2.530209  
1 1 1 -27 20 8  o 15.48216 2.071612  2.490705       0.6278513 2.216155       0.8760604 2.780637       0.9002659 -2.080696      4.143223  
1 1 1 -27 20 9  o 47.57147 1.202697  22.75775       1.143334  21.86256       1.578719  23.74514       1.658033  -1.961819      2.405395  
1 1 1 -27 20 10 o 24.05309 1.421411  5.841950       0.6836711 5.722311       0.9567202 5.966798       0.9773229 -0.5030499     2.842821  
1 1 1 -27 20 11 o 34.70734 1.216917  12.13535       0.8441528 12.72780       1.200751  11.55639       1.186993  1.684601       2.433834  
1 1 1 -27 20 12 f 29.43116 1.284993  8.722794       0.7558792 8.323734       1.049544  9.152836       1.089526  -1.399473      2.569986  
1 1 1 -27 20 13 o 26.61154 1.339831  7.133102       0.7108238 6.374798       0.9844248 7.959171       1.027470  -2.966688      2.679662  
1 1 1 -27 20 14 o 18.52456 1.638939  3.461934       0.6036407 4.024973       0.8839023 2.969824       0.8263542 2.831367       3.277879  
1 1 1 -27 20 15 o 15.72900 1.886678  2.550223       0.5809753 2.707954       0.8388382 2.404806       0.8054264 1.184986       3.773356  
1 1 1 -27 20 16 o 27.40013 1.297888  7.570084       0.7107764 7.948258       1.012814  7.203086       0.9977348 1.356325       2.595776  
1 1 1 -27 20 17 o 46.61099 1.174973  21.84895       1.094616  21.05510       1.515581  22.71461       1.582637  -1.766132      2.349947  
1 1 1 -27 20 18 o 28.69514 1.297172  8.280218       0.7429782 9.044463       1.080877  7.595664       1.022972  2.511011       2.594344  
1 1 1 -27 20 19 o 22.26258 0.5602354 4.965892       0.2487369 4.941243       0.3653357 4.987192       0.3396060 -0.1058064     1.120471  
1 1 1 -27 20 20 o 22.01732 0.6041290 4.844280       0.2642390 4.961963       0.3995518 4.752797       0.3522775 0.4697666      1.208258  
1 1 1 -27 20 21 o 41.82739 0.6702953 17.54383       0.5604681 17.24854       0.8007444 17.82744       0.7847410 -0.6940041     1.340591  
1 1 1 -27 20 22 o 55.87507 0.7650577 31.17492       0.8528788 29.21199       1.158355  33.49894       1.260403  -3.821304      1.530115  
1 1 1 -27 20 23 o 18.83001 0.6972845 3.556022       0.2603790 3.548697       0.3944752 3.561677       0.3466133 -0.4095078E-01 1.394569  
1 1 1 -27 20 24 o 52.24236 0.7878410 27.47821       0.8198366 26.14433       1.196384  28.65911       1.125690  -2.417843      1.575682  
1 1 1 -27 20 25 o 37.22541 0.7049206 13.94412       0.5213480 13.43818       0.7753625 14.36162       0.7043390 -1.250290      1.409841  
1 1 1 -27 20 26 o 21.24414 0.7936808 4.413375       0.3305880 5.109809       0.5353136 3.984023       0.4203151 2.631243       1.587362  
1 1 1 -27 20 27 o 16.38282 0.8985230 2.694685       0.2881037 2.706628       0.4575678 2.686839       0.3708443 0.4426193E-01  1.797046  
1 1 1 -27 20 28 o 30.76933 0.7980649 9.345803       0.4820992 10.31444       0.7728562 8.728818       0.6168162 2.549335       1.596130  
1 1 1 -27 20 29 f 20.84852 0.8861653 4.380256       0.3644889 4.292496       0.5606945 4.444484       0.4796684 -0.3804913     1.772331  
1 1 1 -27 20 30 o 22.79427 0.8772050 5.168573       0.3936895 5.508819       0.6215461 4.940607       0.5087599 1.224569       1.754410  
1 1 1 -27 20 31 o 23.79142 0.9136147 5.830172       0.4240232 4.703125       0.6289717 6.769138       0.5740969 -4.352816      1.827229  
1 1 1 -27 20 32 o 11.16063 1.516230  1.352756       0.3150878 1.069131       0.5169469 1.520411       0.3974501 -2.236285      3.032460  
1 1 1 -27 20 33 o 24.66356 0.9118230 6.145190       0.4428795 5.944657       0.6829750 6.290699       0.5817779 -0.7231007     1.823646  
1 1 1 -27 20 34 o 23.54990 0.9307272 5.560792       0.4298240 5.673757       0.6812035 5.486066       0.5540388 0.3694324      1.861454  
1 1 1 -27 20 35 o 46.99596 0.9519016 22.13038       0.8897262 23.12627       1.342218  21.34978       1.188317  1.853107       1.903803  
1 1 1 -27 20 36 o 9.160803 1.851899  0.8757837      0.3446099 0.8643444      0.5909672 0.8816777      0.4241980 0.6178856E-01  3.703797  
1 1 1 -27 20 37 o 74.25878 1.259084  55.76588       1.869635  55.16631       2.659511  56.35171       2.628882  -0.8077240     2.518168  
1 1 1 -27 21 1  o 57.30495 1.276557  33.07943       1.461544  35.08871       2.119390  31.25744       2.018192  3.316696       2.553114  
1 1 1 -27 21 2  o 65.14075 1.328170  42.84132       1.729990  44.05274       2.471754  41.67804       2.422152  1.809547       2.656340  
1 1 1 -27 21 3  o 50.69961 1.249683  25.86252       1.264898  24.84258       1.726970  27.04294       1.857865  -2.137363      2.499367  
1 1 1 -27 21 4  o 16.43429 2.069285  2.806765       0.6654449 2.616025       0.9311935 3.005827       0.9512906 -1.437158      4.138571  
1 1 1 -27 21 5  o 24.95039 1.484110  6.242468       0.7344558 5.214226       0.9917424 7.491345       1.092976  -4.533709      2.968220  
1 1 1 -27 21 6  f 23.50190 1.505550  5.572267       0.7063493 5.190483       0.9662713 6.010410       1.035138  -1.724018      3.011101  
1 1 1 -27 21 7  o 57.89791 1.267538  33.57725       1.461110  31.39349       1.955867  36.33487       2.197885  -4.207497      2.535075  
1 1 1 -27 21 8  o 24.13786 1.524251  5.884370       0.7324563 5.140053       1.009310  6.712469       1.064600  -3.240902      3.048502  
1 1 1 -27 21 9  f 17.79524 1.858816  3.275078       0.6385141 2.678322       0.8878000 3.914512       0.9189983 -3.688150      3.717631  
1 1 1 -27 21 10 f 30.06394 1.339754  9.127279       0.8047503 9.669222       1.145458  8.599060       1.130860  1.776064       2.679508  
1 1 1 -27 21 11 o 16.57233 1.957521  2.841761       0.6356933 2.724624       0.8925784 2.962333       0.9055747 -0.9540958     3.915042  
1 1 1 -27 21 12 o 48.37810 1.222873  23.59246       1.183161  23.32247       1.666079  23.86714       1.680499  -0.5595589     2.445746  
1 1 1 -27 21 13 f 18.24025 1.814583  3.420909       0.6299248 4.471334       0.9277529 2.522447       0.8580242 5.533362       3.629165  
1 1 1 -27 21 14 f 28.69695 1.321078  8.303769       0.7569723 8.993620       1.089457  7.659880       1.052539  2.314444       2.642157  
1 1 1 -27 21 15 o 19.30959 1.688583  3.780136       0.6510301 3.899578       0.9538903 3.675985       0.8907415 0.5582848      3.377166  
1 1 1 -27 21 16 o 33.95491 1.253014  11.61275       0.8499478 10.86253       1.179823  12.42218       1.225493  -2.285469      2.506027  
1 1 1 -27 21 17 o 33.13142 1.259770  11.07229       0.8346858 11.27380       1.187948  10.87580       1.173041  0.5969353      2.519539  
1 1 1 -27 21 18 f 31.45818 1.632234  10.46499       0.9548700 8.792167       1.611499  11.37009       1.185372  -4.230131      3.264469  
1 1 1 -27 21 19 o 22.58474 1.941833  5.290761       0.8085691 4.988773       1.434216  5.431465       0.9789789 -1.151226      3.883666  
1 1 1 -27 21 20 o 31.05337 0.6234307 9.688931       0.3857259 8.722673       0.5456783 10.65392       0.5453196 -3.109600      1.246861  
1 1 1 -27 21 21 o 23.78088 0.6480528 5.683865       0.3039265 5.575927       0.4683589 5.762378       0.3994522 -0.4009457     1.296106  
1 1 1 -27 21 22 o 25.71089 3.683046  0.000000       0.000000  ?              ?         6.869424       1.893888  ?              ?         
1 1 1 -27 21 23 o 48.13038 0.8415231 23.32559       0.8067949 22.46236       1.182313  24.07784       1.103700  -1.692165      1.683046  
1 1 1 -27 21 24 o 37.38764 0.7687069 14.05832       0.5730273 13.60834       0.8359842 14.45711       0.7869981 -1.143337      1.537414  
1 1 1 -27 21 25 o 33.49686 0.7726446 11.10189       0.5125586 12.40114       0.7954584 10.17946       0.6702517 3.294596       1.545289  
1 1 1 -27 21 26 o 17.89875 0.8611974 3.258770       0.3024352 2.984148       0.4640051 3.461613       0.3987822 -1.346138      1.722395  
1 1 1 -27 21 27 o 14.41876 0.9721262 2.075613       0.2750008 2.170146       0.4375595 2.013894       0.3535535 0.5238819      1.944252  
1 1 1 -27 21 28 o 50.06482 0.9328895 25.20744       0.9338239 24.50908       1.320788  25.90547       1.320465  -1.394646      1.865779  
1 1 1 -27 21 29 o 44.13003 0.8891244 19.47240       0.7808322 20.55158       1.175673  18.62066       1.044462  2.161110       1.778249  
1 1 1 -27 21 30 o 15.71356 1.096610  2.538678       0.3312405 2.293826       0.5345252 2.691324       0.4220454 -1.293221      2.193221  
1 1 1 -27 21 31 f 52.15940 0.9749105 27.39429       1.016563  26.97536       1.452367  27.79664       1.423347  -0.7941742     1.949821  
1 1 1 -27 21 32 o 9.117048 1.583299  0.9251475      0.2985308 0.5127693      0.4933380 1.163388       0.3749769 -3.221374      3.166598  
1 1 1 -27 21 33 o 54.20924 1.007817  29.60198       1.092209  28.58790       1.542918  30.62054       1.546320  -1.873959      2.015634  
1 1 1 -27 21 34 o 23.99826 0.9159819 5.706731       0.4317010 6.233015       0.6902301 5.368580       0.5532726 1.770388       1.831964  
1 1 1 -27 21 35 o 32.87294 1.219987  10.94148       0.6786768 10.88206       1.399474  10.95976       0.7760377 -0.3024635     2.439975  
1 1 1 -27 22 1  o 71.47013 1.407498  51.72321       2.011370  52.42964       2.826040  50.99800       2.863341  1.013153       2.814997  
1 1 1 -27 22 2  o 19.89323 1.769885  4.015553       0.7024343 3.726012       0.9547994 4.357146       1.037078  -1.553911      3.539770  
1 1 1 -27 22 3  o 42.75447 1.275733  18.45475       1.090326  18.07846       1.513316  18.86095       1.572283  -0.8982697     2.551466  
1 1 1 -27 22 4  o 23.64617 1.569707  5.641832       0.7398162 5.230039       0.9975581 6.145158       1.102866  -1.898149      3.139413  
1 1 1 -27 22 5  o 52.51304 1.262121  27.84654       1.324806  27.74817       1.841419  27.95209       1.907444  -0.1758041     2.524242  
1 1 1 -27 22 6  f 45.11726 1.241542  20.51755       1.118045  20.09142       1.526844  21.01020       1.641704  -0.9872932     2.483085  
1 1 1 -27 22 7  o 21.63553 1.657212  4.732765       0.7119434 3.995521       0.9717680 5.586955       1.046006  -3.651693      3.314424  
1 1 1 -27 22 8  o 37.07967 1.267918  13.74505       0.9356687 12.35403       1.253306  15.49652       1.406349  -4.196571      2.535836  
1 1 1 -27 22 9  o 31.80595 1.359630  10.20142       0.8637927 9.696827       1.186423  10.77061       1.260076  -1.667101      2.719260  
1 1 1 -27 22 10 o 50.93317 1.260413  26.18153       1.283854  26.59595       1.824505  25.77506       1.806912  0.8012505      2.520825  
1 1 1 -27 22 11 o 42.48834 1.264753  17.99241       1.067935  15.85335       1.422542  20.75479       1.616571  -5.717178      2.529505  
1 1 1 -27 22 12 o 42.50494 1.249575  18.17413       1.060574  17.05542       1.453526  19.44786       1.550968  -2.789078      2.499151  
1 1 1 -27 22 13 o 28.58046 1.862272  9.052940       0.9664176 6.195423       1.579055  10.76432       1.222014  -8.121668      3.724545  
1 1 1 -27 22 14 o 25.09047 2.018547  6.571208       0.9089376 6.153817       1.683380  6.742973       1.079885  -1.420048      4.037094  
1 1 1 -27 22 15 o 7.007423 3.070598  0.000000       0.000000  ?              ?         -0.1582359     0.8212293 ?              ?         
1 1 1 -27 22 16 o 36.65106 1.833392  0.000000       0.000000  ?              ?         13.56996       1.343915  ?              ?         
1 1 1 -27 22 17 o 23.29055 4.318254  0.000000       0.000000  ?              ?         5.889625       1.936006  ?              ?         
1 1 1 -27 22 18 o 18.50514 4.543001  0.000000       0.000000  ?              ?         3.781058       1.671237  ?              ?         
1 1 1 -27 22 19 o 9.015012 4.086445  0.000000       0.000000  ?              ?         -0.7360578     1.586531  ?              ?         
1 1 1 -27 22 20 o 9.732166 0.7347785 0.9321170      0.1407512 1.051064       0.2242536 0.8548029      0.1807975 1.001168       1.469557  
1 1 1 -27 22 21 f 19.16960 0.6565507 3.636551       0.2496448 4.060162       0.3843634 3.327459       0.3283245 1.902935       1.313101  
1 1 1 -27 22 22 o 18.88135 0.7102391 3.588408       0.2653566 3.488730       0.4027945 3.664840       0.3527141 -0.4741650     1.420478  
1 1 1 -27 22 23 o 42.54423 0.8194019 18.18229       0.6969717 17.83112       0.9922096 18.52435       0.9792520 -0.8170624     1.638804  
1 1 1 -27 22 24 o 26.03133 0.7302848 6.816116       0.3786046 6.592200       0.5562999 7.009319       0.5167413 -0.8076439     1.460570  
1 1 1 -27 22 25 f 35.57819 0.7797398 12.69900       0.5538137 11.66729       0.7720897 13.79237       0.7948268 -2.982456      1.559480  
1 1 1 -27 22 26 o 22.10637 0.7830659 4.937914       0.3426266 4.662021       0.5147622 5.157363       0.4590959 -1.130453      1.566132  
1 1 1 -27 22 27 o 28.83351 0.7721339 8.351871       0.4433907 8.295877       0.6567265 8.398776       0.6010627 -0.1887054     1.544268  
1 1 1 -27 22 28 o 16.53043 0.9287760 2.758677       0.3007789 2.700208       0.4731062 2.798339       0.3896644 -0.3159122     1.857552  
1 1 1 -27 22 29 f 31.06648 0.8215646 9.611060       0.5052576 10.28441       0.7820659 9.128664       0.6619463 1.835207       1.643129  
1 1 1 -27 22 30 o 38.85725 0.8583339 15.15034       0.6637932 15.43647       0.9929559 14.91917       0.8925430 0.6443443      1.716668  
1 1 1 -27 22 31 o 10.06359 1.464184  0.8832385      0.2927332 1.872765       0.5087419 0.3934489      0.3579223 7.078893       2.928368  
1 1 1 -27 22 32 o 27.96078 0.8594019 7.833897       0.4740200 8.008919       0.7372197 7.710539       0.6189221 0.5081615      1.718804  
1 1 1 -27 23 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 4  o 25.40104 4.003319  0.000000       0.000000  ?              ?         6.785121       2.033769  ?              ?         
1 1 1 -27 23 5  o 21.02580 4.642504  0.000000       0.000000  ?              ?         4.885667       1.899982  ?              ?         
1 1 1 -27 23 6  f 18.92981 4.855570  0.000000       0.000000  ?              ?         3.991151       1.847109  ?              ?         
1 1 1 -27 23 7  o 14.53733 5.066198  0.000000       0.000000  ?              ?         2.130168       1.812289  ?              ?         
1 1 1 -27 23 8  f 19.85495 4.764585  0.000000       0.000000  ?              ?         4.376404       1.870714  ?              ?         
1 1 1 -27 23 9  o 25.87980 3.878997  0.000000       0.000000  ?              ?         7.012632       2.007754  ?              ?         
1 1 1 -27 23 10 o 29.36090 3.608771  0.000000       0.000000  ?              ?         8.971109       2.119135  ?              ?         
1 1 1 -27 23 11 o 35.17835 3.307269  0.000000       0.000000  ?              ?         12.79754       2.326885  ?              ?         
1 1 1 -27 23 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 23 21 f 28.21381 0.6572031 7.978701       0.3701808 8.052651       0.5410395 7.913611       0.5075896 0.2412567      1.314406  
1 1 1 -27 23 22 o 18.60858 0.6975160 3.313889       0.2535022 4.358495       0.4145722 2.690044       0.3203777 4.467316       1.395032  
1 1 1 -27 23 23 o 14.29210 0.8801630 2.184787       0.2350045 1.388180       0.3488124 2.846923       0.3180120 -5.109537      1.760326  
1 1 1 -27 23 24 o 7.740426 1.286706  0.6666588      0.1972338 0.4166190      0.3337847 0.8008018      0.2444813 -2.357354      2.573413  
1 1 1 -27 23 25 o 18.84473 0.8115958 3.660121       0.2979946 2.956723       0.4442274 4.235613       0.4018133 -3.401720      1.623192  
1 1 1 -27 23 26 o 37.24702 0.8011662 13.94917       0.5961092 13.21424       0.8452342 14.67647       0.8408343 -1.963753      1.602332  
1 1 1 -27 23 27 o 40.31329 0.8324621 16.29986       0.6701384 15.06925       0.9281917 17.63977       0.9685327 -3.180004      1.664924  
1 1 1 -27 23 28 o 37.64763 0.8208790 14.21540       0.6158156 14.51825       0.9149527 13.96459       0.8326442 0.7186661      1.641758  
1 1 1 -27 23 29 o 8.798990 1.873137  0.7645134      0.2933055 0.7508417      0.7333203 0.7671171      0.3200179 0.5264883      3.746275  
1 1 1 -27 24 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 24 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -27 25 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 0  1  o 95.13179 1.493212  90.79109       2.837910  90.84286       4.020216  90.73967       4.006641  -0.000000      0.000000  
1 1 1 -26 0  2  o 32.39605 0.8110562 10.54158       0.5239016 10.24160       0.7405177 10.84220       0.7413006 -0.000000      0.000000  
1 1 1 -26 0  3  o 52.86668 1.195632  27.40736       1.161382  26.43595       1.382103  29.74127       2.142297  -0.000000      0.000000  
1 1 1 -26 0  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 0  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 0  7  o 62.42296 1.514100  39.06742       1.887824  39.06742       1.887824  39.06742       1.887824  -0.000000      0.000000  
1 1 1 -26 0  8  o 6.496671 1.898334  0.5979687      0.2527771 0.7189665      0.3494065 0.4651024      0.3661420 -0.000000      0.000000  
1 1 1 -26 0  9  f 8.095531 1.797782  0.8266962      0.2554748 0.8616289      0.3524146 0.7880057      0.3708843 -0.000000      0.000000  
1 1 1 -26 0  10 o 25.99799 0.8153543 6.802354       0.4221249 6.714826       0.5973976 6.889635       0.5965527 -0.000000      0.000000  
1 1 1 -26 0  11 o 7.201005 1.711308  0.7132775      0.2598730 1.038716       0.3515090 0.3209821      0.3859298 -0.000000      0.000000  
1 1 1 -26 0  12 o 9.914075 1.615297  1.129003       0.2767894 1.148239       0.3719724 1.105137       0.4143217 -0.000000      0.000000  
1 1 1 -26 0  13 o 35.97868 0.8277861 12.99120       0.5942413 13.07858       0.8453010 12.90582       0.8355520 -0.000000      0.000000  
1 1 1 -26 0  14 o 19.92651 0.8930386 4.018564       0.3525414 3.981030       0.4858754 4.060294       0.5123121 -0.000000      0.000000  
1 1 1 -26 0  15 o 27.16304 0.8535908 7.428974       0.4605750 8.110512       0.6573479 6.771750       0.6455160 -0.000000      0.000000  
1 1 1 -26 0  16 o 8.201129 1.860038  0.9068499      0.2835080 1.106885       0.3700694 0.6226543      0.4411010 -0.000000      0.000000  
1 1 1 -26 0  17 o 35.43851 0.8454298 12.61006       0.5975272 12.68016       0.8358586 12.53680       0.8545124 -0.000000      0.000000  
1 1 1 -26 0  18 o 31.49780 0.8497686 9.931694       0.5320864 9.498212       0.7201961 10.45267       0.7895439 -0.000000      0.000000  
1 1 1 -26 0  19 o 54.44800 1.008108  29.72359       1.096006  29.29086       1.536568  30.17177       1.563763  -0.000000      0.000000  
1 1 1 -26 0  20 o 32.06101 0.8724761 10.33085       0.5575907 10.51856       0.7900094 10.14452       0.7871034 -0.000000      0.000000  
1 1 1 -26 0  21 f 98.12709 1.547819  96.61285       3.034295  96.56436       4.292445  96.66127       4.289839  -0.000000      0.000000  
1 1 1 -26 0  22 o 33.11852 0.8715933 11.02867       0.5750765 11.27857       0.8029463 10.76547       0.8240251 -0.000000      0.000000  
1 1 1 -26 0  23 o 42.78493 0.9152017 18.36514       0.7814739 18.58249       1.115229  18.15546       1.095380  -0.000000      0.000000  
1 1 1 -26 0  24 o 12.97289 1.362678  1.748533       0.3352657 1.705122       0.4435956 1.806366       0.5120025 -0.000000      0.000000  
1 1 1 -26 0  25 o 106.7581 1.666344  114.3962       3.553206  115.9892       5.092866  112.8854       4.959761  -0.000000      0.000000  
1 1 1 -26 0  26 o 22.82839 0.9754788 5.289432       0.4405158 5.596569       0.6121358 4.959517       0.6344291 -0.000000      0.000000  
1 1 1 -26 0  27 o 117.1278 1.811829  137.8255       4.239619  137.0866       5.963537  138.5806       6.028444  -0.000000      0.000000  
1 1 1 -26 0  28 o 29.77892 0.9155384 8.898097       0.5416634 9.827304       0.7883642 8.067213       0.7454883 -0.000000      0.000000  
1 1 1 -26 0  29 o 53.07090 1.016651  28.25502       1.077296  28.51849       1.531880  27.99724       1.515307  -0.000000      0.000000  
1 1 1 -26 0  30 o 34.83047 0.9097788 12.19459       0.6316576 12.28712       0.8838563 12.09799       0.9030503 -0.000000      0.000000  
1 1 1 -26 0  31 o 8.605144 2.047177  0.9994280      0.3362423 1.268423       0.4549094 0.6754923      0.4992089 -0.000000      0.000000  
1 1 1 -26 0  32 o 18.25941 1.125940  3.426429       0.4036001 3.660546       0.5624304 3.177879       0.5795061 -0.000000      0.000000  
1 1 1 -26 0  33 o 61.45243 1.107625  37.89293       1.359265  38.28044       1.936710  37.51674       1.908189  -0.000000      0.000000  
1 1 1 -26 0  34 o 67.21233 1.179923  45.34507       1.583905  45.12408       2.231117  45.56961       2.248950  -0.000000      0.000000  
1 1 1 -26 0  35 o 82.05663 1.359704  67.59464       2.227893  68.73789       3.204123  66.52454       3.099894  -0.000000      0.000000  
1 1 1 -26 0  36 o 5.144304 2.112935  0.2886618      0.3740554 0.5269773      0.5037249 -0.4292735E-02 0.5584926 -0.000000      0.000000  
1 1 1 -26 0  37 o 68.28151 1.199588  46.81414       1.635860  46.96704       2.327274  46.66484       2.299881  -0.000000      0.000000  
1 1 1 -26 0  38 o 27.18731 0.9918827 7.457919       0.5361246 7.240219       0.7479671 7.687948       0.7688537 -0.000000      0.000000  
1 1 1 -26 0  39 o 59.51183 1.110042  35.56366       1.318987  35.77517       1.883675  35.36021       1.847509  -0.000000      0.000000  
1 1 1 -26 0  40 o 28.07132 0.9950699 7.956152       0.5554433 7.715781       0.7865677 8.195241       0.7844675 -0.000000      0.000000  
1 1 1 -26 0  41 o 24.38054 1.056157  6.046604       0.5086746 6.573081       0.7121930 5.498343       0.7267779 -0.000000      0.000000  
1 1 1 -26 0  42 o 9.665226 2.326427  1.233578       0.4115314 1.443768       0.5730368 1.009714       0.5913832 -0.000000      0.000000  
1 1 1 -26 0  43 o 21.51801 1.173234  4.723265       0.4982775 4.689475       0.6856767 4.761077       0.7253360 -0.000000      0.000000  
1 1 1 -26 0  44 o 6.462492 2.370905  0.5811027      0.4168339 0.8713325      0.5927761 0.2972166      0.5862621 -0.000000      0.000000  
1 1 1 -26 0  45 o 4.859913 2.112261  0.1928742      0.3863740 0.8068206E-01  0.5146789 0.3377464      0.5848541 -0.000000      0.000000  
1 1 1 -26 0  46 o 14.79302 1.734249  2.340768       0.4731172 2.095166       0.6608244 2.599052       0.6776713 -0.000000      0.000000  
1 1 1 -26 0  47 o 36.82151 1.059292  13.65784       0.7767195 12.95460       1.087253  14.39081       1.109995  -0.000000      0.000000  
1 1 1 -26 0  48 o 19.86800 1.350676  4.073488       0.5274526 4.050769       0.7379438 4.097217       0.7541826 -0.000000      0.000000  
1 1 1 -26 0  49 o 34.43677 1.068369  11.96707       0.7325963 11.70245       1.037859  12.22985       1.034246  -0.000000      0.000000  
1 1 1 -26 0  50 o 33.52409 1.094081  11.35040       0.7300941 11.17730       1.035665  11.52140       1.029382  -0.000000      0.000000  
1 1 1 -26 0  51 o 48.31388 1.122082  23.50524       1.081545  23.03477       1.517686  23.99069       1.541667  -0.000000      0.000000  
1 1 1 -26 0  52 o 38.77297 1.088750  15.16388       0.8409120 14.55523       1.186904  15.77732       1.191569  -0.000000      0.000000  
1 1 1 -26 0  53 o 8.842274 2.698573  1.141597       0.4963132 1.292115       0.6874700 0.9777507      0.7172631 -0.000000      0.000000  
1 1 1 -26 0  54 o 5.896655 2.387163  0.2646137      0.4871880 -0.2457126     0.6571891 0.8872294      0.7258993 -0.000000      0.000000  
1 1 1 -26 0  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 1  1  f 65.41708 0.9615706 41.80330       1.155221  45.50190       2.144003  40.29025       1.371305  3.942848       1.923141  
1 1 1 -26 1  2  o 86.77449 1.374735  75.34409       2.381525  78.28053       3.497015  72.80431       3.252258  3.137093       2.749470  
1 1 1 -26 1  3  o 35.71260 0.8100080 12.76278       0.5783980 12.35715       0.8109154 13.18285       0.8252292 -1.155396      1.620016  
1 1 1 -26 1  4  f 33.20730 0.6878847 11.29622       0.4397935 12.14714       0.5640088 9.976254       0.7024622 3.273672       1.375769  
1 1 1 -26 1  5  o 99.47038 1.095155  99.04821       2.177463  97.09428       3.018448  101.1683       3.144194  -2.040611      2.190309  
1 1 1 -26 1  6  f 37.67553 0.6391225 14.13061       0.4741243 13.80530       0.6152115 14.60642       0.7440324 -1.058891      1.278245  
1 1 1 -26 1  7  o 46.92408 0.9115812 22.02382       0.8550747 22.78721       1.232720  21.31591       1.187087  1.565598       1.823162  
1 1 1 -26 1  8  f 55.29514 0.9958128 30.61021       1.101019  30.21191       1.537294  31.02969       1.577643  -0.7374077     1.991626  
1 1 1 -26 1  9  f 55.30053 0.9990665 30.61720       1.104661  30.30276       1.540789  30.94979       1.584586  -0.5827789     1.998133  
1 1 1 -26 1  10 o 67.65849 0.9785445 46.56502       1.275547  42.99215       2.062774  48.77700       1.623058  -4.296494      1.957089  
1 1 1 -26 1  11 o 112.7130 1.227675  127.2346       2.766070  124.9144       3.838330  129.7414       3.989687  -2.131859      2.455350  
1 1 1 -26 1  12 o 41.06937 0.6100854 16.84240       0.5006005 16.10547       0.6893950 17.66441       0.7281018 -1.896732      1.220171  
1 1 1 -26 1  13 f 6.613751 1.297108  0.4354497      0.1849402 0.2602936      0.2532929 0.6354487      0.2706600 -2.387588      2.594217  
1 1 1 -26 1  14 o 53.72894 0.6956602 28.33997       0.7388866 25.44682       0.9598498 32.54803       1.157599  -6.601303      1.391320  
1 1 1 -26 1  15 o 35.80328 0.5953759 12.82550       0.4263229 12.84904       0.6017479 12.80177       0.6040822 0.6608582E-01  1.190752  
1 1 1 -26 1  16 o 45.19627 0.6411265 20.23371       0.5762808 18.52538       0.7670439 22.44765       0.8732060 -4.335587      1.282253  
1 1 1 -26 1  17 o 65.39995 0.7903216 42.80479       1.033633  43.26050       1.474788  42.36483       1.449106  0.6836853      1.580643  
1 1 1 -26 1  18 f 123.3185 1.333365  152.3992       3.287138  155.2035       4.733686  149.7876       4.568162  2.184059       2.666729  
1 1 1 -26 1  19 f 38.47174 0.6157998 14.71122       0.4722404 16.18678       0.7022507 13.49312       0.6380529 3.498695       1.231600  
1 1 1 -26 1  20 f 34.29755 0.6066335 11.72025       0.4152379 12.63413       0.6110827 10.93630       0.5659778 2.473652       1.213267  
1 1 1 -26 1  21 o 32.55482 0.6121003 10.55967       0.3976011 9.662290       0.5438164 11.59029       0.5827903 -2.959839      1.224201  
1 1 1 -26 1  22 o 66.56366 0.8055860 44.33613       1.072179  43.62605       1.495724  45.08666       1.537730  -1.095230      1.611172  
1 1 1 -26 1  23 o 46.62884 0.6659309 21.75844       0.6210300 21.79193       0.8795121 21.72515       0.8770314 0.7150650E-01  1.331862  
1 1 1 -26 1  24 o 36.52165 0.6206221 13.32506       0.4529050 13.87479       0.6579667 12.83004       0.6243624 1.429035       1.241244  
1 1 1 -26 1  25 o 52.55564 0.7043883 27.53110       0.7386076 26.02024       1.002872  29.32211       1.091895  -3.137169      1.408777  
1 1 1 -26 1  26 o 68.22128 0.8236863 46.60036       1.123799  46.89227       1.599234  46.31560       1.579534  0.4215164      1.647373  
1 1 1 -26 1  27 o 47.24899 0.6778221 22.27562       0.6394710 21.11448       0.8744305 23.61047       0.9375640 -2.638313      1.355644  
1 1 1 -26 1  28 o 73.30914 0.8714110 53.56018       1.273254  56.90703       1.898815  50.82584       1.716295  4.136452       1.742822  
1 1 1 -26 1  29 o 81.88121 0.9483446 67.16864       1.552985  67.46772       2.206543  66.87508       2.186105  0.3604660      1.896689  
1 1 1 -26 1  30 o 36.77353 0.6485279 13.39952       0.4745640 15.11551       0.7142242 12.04307       0.6350080 4.173431       1.297056  
1 1 1 -26 1  31 o 52.27763 0.7137896 27.34721       0.7460552 26.79591       1.038769  27.93456       1.072187  -1.087055      1.427579  
1 1 1 -26 1  32 o 55.75548 0.7400669 30.78005       0.8199216 28.14929       1.086658  34.25772       1.249386  -5.467419      1.480134  
1 1 1 -26 1  33 f 18.99353 0.7931477 3.614664       0.3011918 3.529256       0.4277146 3.698677       0.4242061 -0.4462566     1.586295  
1 1 1 -26 1  34 o 91.53416 1.042640  84.03938       1.908701  83.65025       2.688493  84.43484       2.710261  -0.4263153     2.085279  
1 1 1 -26 1  35 o 35.58714 0.9387987 12.58091       0.6649827 14.32912       0.9939095 11.16414       0.8947432 4.437096       1.877597  
1 1 1 -26 1  36 o 45.67822 0.7693590 20.61200       0.6853291 22.17624       1.116483  19.66628       0.8681213 2.727119       1.538718  
1 1 1 -26 1  37 f 23.60635 0.7385806 5.577354       0.3460953 4.698630       0.4784586 6.541755       0.5012412 -3.901999      1.477161  
1 1 1 -26 1  38 f 56.19518 0.7587194 31.63976       0.8527246 31.70240       1.207845  31.57752       1.204034  0.1107750      1.517439  
1 1 1 -26 1  39 o 56.21306 0.7624634 31.54185       0.8553622 29.81526       1.163974  33.56892       1.261196  -3.329483      1.524927  
1 1 1 -26 1  40 o 38.60842 0.6891435 14.90714       0.5316216 15.51735       0.7728521 14.35909       0.7324286 1.496334       1.378287  
1 1 1 -26 1  41 f 63.65730 0.8225959 40.62485       1.047234  40.32625       1.472152  40.93075       1.490034  -0.4728127     1.645192  
1 1 1 -26 1  42 o 48.97090 0.7288247 23.99875       0.7133126 23.10832       0.9865976 24.97400       1.032521  -1.900185      1.457649  
1 1 1 -26 1  43 o 20.28279 0.8550108 4.092867       0.3435813 3.367089       0.4653754 4.962451       0.5093980 -3.927332      1.710022  
1 1 1 -26 1  44 o 22.61326 0.8169945 5.121209       0.3645598 4.061311       0.5005384 6.318683       0.5320325 -4.987429      1.633989  
1 1 1 -26 1  45 o 27.62110 0.7482883 7.636674       0.4128400 7.114267       0.5722545 8.203652       0.5961673 -1.969051      1.496577  
1 1 1 -26 1  46 o 21.87830 0.8241731 4.792268       0.3602355 4.552167       0.4961019 5.060067       0.5239367 -1.156710      1.648346  
1 1 1 -26 1  47 o 38.32805 0.7283468 14.72909       0.5583014 14.90672       0.7913446 14.55306       0.7877822 0.4608955      1.456694  
1 1 1 -26 1  48 o 32.08498 0.7486169 10.27277       0.4790074 11.40081       0.7042274 9.301516       0.6534556 3.264456       1.497234  
1 1 1 -26 1  49 f 20.85677 0.9204762 4.375760       0.3833390 4.096404       0.5428377 4.653648       0.5414113 -1.336142      1.840952  
1 1 1 -26 1  50 o 27.62862 0.8017148 7.661807       0.4429113 7.454259       0.6243447 7.872068       0.6284173 -0.7554493     1.603430  
1 1 1 -26 1  51 o 38.27060 0.7700663 14.68890       0.5891398 14.10746       0.8205914 15.30740       0.8463439 -1.563278      1.540133  
1 1 1 -26 1  52 f 18.51993 1.046636  3.461814       0.3821823 4.245549       0.5524373 2.742406       0.5292807 4.052855       2.093272  
1 1 1 -26 1  53 o 8.555381 1.762515  0.7303875      0.3417588 0.3515757      0.4795750 1.121267       0.4871540 -3.466737      3.525030  
1 1 1 -26 1  54 o 16.03625 1.286218  2.600980       0.4119247 2.619532       0.5998006 2.584419       0.5667060 0.9875298E-01  2.572436  
1 1 1 -26 1  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 2  1  o 76.63762 1.060807  59.69452       1.576547  62.69572       2.027066  55.09979       2.508125  4.983788       2.121614  
1 1 1 -26 2  2  o 75.99442 0.8752285 57.81666       1.330201  57.42750       1.871432  58.21405       1.891099  -0.5165710     1.750457  
1 1 1 -26 2  3  f 99.64862 1.097203  99.37799       2.184891  101.9199       3.168424  97.07331       3.016943  2.422844       2.194407  
1 1 1 -26 2  4  o 126.1787 1.357997  159.6566       3.427003  159.5387       4.842361  159.7750       4.850677  -0.9303284E-01 2.715994  
1 1 1 -26 2  5  o 77.88713 0.8922263 60.73047       1.389762  61.24801       1.979704  60.22758       1.951442  0.6537247      1.784453  
1 1 1 -26 2  6  o 30.77474 0.5707321 9.445064       0.3507012 8.801019       0.4811916 10.17476       0.5121914 -2.231003      1.141464  
1 1 1 -26 2  7  o 121.1624 1.308371  147.1729       3.170485  147.5038       4.493673  146.8449       4.473878  0.2705536      2.616742  
1 1 1 -26 2  8  o 62.09168 0.7569429 38.53371       0.9390990 37.44856       1.294137  39.74070       1.364856  -1.843002      1.513886  
1 1 1 -26 2  9  o 121.5684 1.313223  148.1303       3.192405  146.6297       4.466447  149.6976       4.564639  -1.255135      2.626447  
1 1 1 -26 2  10 o 59.57417 0.9105666 35.40591       1.015538  35.17344       1.233295  35.89550       1.789772  -0.5804291     1.821133  
1 1 1 -26 2  11 o 74.13838 1.226777  54.94204       1.815472  52.93185       2.475626  57.28087       2.670348  -2.920799      2.453555  
1 1 1 -26 2  12 o 27.19972 0.8499602 7.405204       0.4610707 6.680559       0.6436898 8.168768       0.6607497 -2.734964      1.699920  
1 1 1 -26 2  13 o 56.27213 1.018914  31.59540       1.144190  33.48245       1.688301  29.99245       1.556036  3.094067       2.037827  
1 1 1 -26 2  14 o 66.43301 0.9816260 43.95385       1.219033  44.87476       2.158103  43.52232       1.477285  0.9837570      1.963252  
1 1 1 -26 2  15 o 56.83951 0.7243150 32.23701       0.8218442 30.84435       1.120999  33.85543       1.208448  -2.645454      1.448630  
1 1 1 -26 2  16 o 44.56049 0.6401105 19.80694       0.5695212 18.79208       0.7785789 20.97493       0.8352537 -2.447395      1.280221  
1 1 1 -26 2  17 o 64.39169 0.7815783 41.49264       1.006383  41.05404       1.408179  41.95052       1.438795  -0.6948395     1.563157  
1 1 1 -26 2  18 o 58.28295 0.7345714 33.80412       0.8530688 31.87417       1.147538  36.18814       1.275411  -3.695835      1.469143  
1 1 1 -26 2  19 o 25.22216 0.6133993 6.357700       0.3089234 5.865238       0.4294699 6.885699       0.4446952 -2.022438      1.226799  
1 1 1 -26 2  20 o 27.79897 0.6131711 7.661249       0.3391787 8.797076       0.5062648 6.736245       0.4568713 3.705008       1.226342  
1 1 1 -26 2  21 o 36.71429 0.6143564 13.48732       0.4511035 13.36585       0.6369407 13.60956       0.6389777 -0.3318291     1.228713  
1 1 1 -26 2  22 o 58.31619 0.7380092 33.92706       0.8589559 35.71588       1.265798  32.40029       1.169413  2.838680       1.476018  
1 1 1 -26 2  23 o 39.14329 0.6321881 15.30047       0.4943703 16.03692       0.7199966 14.64356       0.6800063 1.778301       1.264376  
1 1 1 -26 2  24 o 45.40238 0.6612645 20.45713       0.5978382 18.73075       0.8016250 22.62068       0.8974001 -4.279831      1.322529  
1 1 1 -26 2  25 f 40.02267 0.6448749 15.96551       0.5150984 14.73246       0.7042551 17.38394       0.7553434 -3.310257      1.289750  
1 1 1 -26 2  26 o 57.24515 0.7388797 32.66305       0.8437577 30.88562       1.144003  34.78331       1.249467  -3.398933      1.477759  
1 1 1 -26 2  27 o 18.50043 0.7606419 3.407359       0.2803907 3.850091       0.4126818 3.027731       0.3821414 2.220917       1.521284  
1 1 1 -26 2  28 f 43.01916 0.6614779 18.47159       0.5683187 17.51254       0.7792863 19.56114       0.8306150 -2.378624      1.322956  
1 1 1 -26 2  29 o 18.83365 0.7709553 3.518012       0.2846370 4.603467       0.4250743 2.635683       0.3832428 5.221735       1.541911  
1 1 1 -26 2  30 o 34.76015 0.6382678 12.08972       0.4436494 12.35159       0.6342796 11.83890       0.6207685 0.7367783      1.276536  
1 1 1 -26 2  31 o 71.16989 0.8580402 50.69789       1.220682  49.49999       1.692874  51.99532       1.761799  -1.748116      1.716080  
1 1 1 -26 2  32 o 33.51276 0.6527917 11.24309       0.4375302 11.30143       0.6182709 11.18456       0.6192526 0.1744194      1.305583  
1 1 1 -26 2  33 o 12.97196 1.022027  1.689021       0.2628877 1.410757       0.3650973 1.988631       0.3788422 -2.226094      2.044055  
1 1 1 -26 2  34 o 25.45181 0.9322170 6.467227       0.4730303 7.239533       0.6917625 5.788951       0.6482841 2.845577       1.864434  
1 1 1 -26 2  35 o 38.89682 0.6655228 15.13833       0.5175028 15.51505       0.7456397 14.78822       0.7188162 0.9324303      1.331046  
1 1 1 -26 2  36 o 34.24487 0.6648040 11.73742       0.4552126 11.41515       0.6363515 12.07516       0.6514494 -0.9625854     1.329608  
1 1 1 -26 2  37 o 25.56119 1.057074  6.564739       0.5396709 6.208093       0.7663141 6.915662       0.7601433 -1.384809      2.114147  
1 1 1 -26 2  38 o 22.89088 0.7496644 5.241605       0.3412299 4.505858       0.4715252 6.050577       0.4944333 -3.372047      1.499329  
1 1 1 -26 2  39 o 32.38570 0.6848196 10.50399       0.4432264 9.950906       0.6216152 11.07599       0.6321511 -1.736097      1.369639  
1 1 1 -26 2  40 o 32.51212 0.6983079 10.54071       0.4519555 9.195165       0.6184732 12.08266       0.6620756 -4.436604      1.396616  
1 1 1 -26 2  41 o 44.67503 0.7088903 19.97836       0.6330557 20.57764       0.9137108 19.42511       0.8779138 1.286446       1.417781  
1 1 1 -26 2  42 o 26.01517 0.7366111 6.778431       0.3831384 6.565641       0.5346364 7.003087       0.5493419 -0.8392162     1.473222  
1 1 1 -26 2  43 o 41.87696 0.7098244 17.54741       0.5940610 16.85148       0.8214671 18.31038       0.8601234 -1.737869      1.419649  
1 1 1 -26 2  44 o 19.52719 0.8619385 3.827277       0.3364269 3.751277       0.4809997 3.900065       0.4707255 -0.3823242     1.723877  
1 1 1 -26 2  45 o 45.33934 0.7275804 20.46642       0.6573361 18.93790       0.8848103 22.34914       0.9819939 -3.750031      1.455161  
1 1 1 -26 2  46 o 11.72267 1.410979  1.420998       0.3153369 0.9867079      0.4337245 1.907972       0.4592793 -4.085351      2.821958  
1 1 1 -26 2  47 o 55.38069 0.7871292 30.63562       0.8698763 32.79538       1.283415  28.80035       1.183082  3.592888       1.574258  
1 1 1 -26 2  48 o 16.97008 1.003270  2.892004       0.3396974 3.178628       0.4889900 2.624661       0.4722562 1.629078       2.006541  
1 1 1 -26 2  49 o 21.40670 0.9259598 4.602500       0.3893948 5.832447       0.5692185 3.520628       0.5338558 5.393368       1.851920  
1 1 1 -26 2  50 o 42.41822 0.7649478 17.99192       0.6478227 16.88856       0.8859807 19.25957       0.9496489 -2.784729      1.529896  
1 1 1 -26 2  51 f 7.813499 1.608059  0.5052291      0.3188789 -0.6950404E-01 0.4387641 1.148638       0.4642391 -5.236405      3.216118  
1 1 1 -26 2  52 f 23.61071 0.8947976 5.587489       0.4214145 5.041744       0.5809553 6.193539       0.6122125 -2.432886      1.789595  
1 1 1 -26 2  53 o 10.00856 1.750217  1.062740       0.3494993 0.9408476      0.4939062 1.184989       0.4946277 -1.142062      3.500433  
1 1 1 -26 2  54 o 13.24631 2.019482  1.872516       0.5203236 2.092930       0.7391183 1.655960       0.7326221 1.628551       4.038963  
1 1 1 -26 2  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 3  1  o 80.10364 0.9115458 64.16467       1.458890  62.42781       2.009287  66.10124       2.121659  -2.287125      1.823092  
1 1 1 -26 3  2  o 107.7982 1.176105  116.2590       2.532277  120.1304       3.697871  112.8404       3.474881  3.366783       2.352211  
1 1 1 -26 3  3  f 117.1896 1.268774  137.6087       2.972523  135.4559       4.133410  139.9147       4.277875  -1.892395      2.537548  
1 1 1 -26 3  4  o 97.89977 1.080344  96.01466       2.115303  95.82253       2.987005  96.20794       2.995995  -0.1963196     2.160689  
1 1 1 -26 3  5  o 66.28128 0.7887168 43.77283       1.042267  41.57173       1.407754  46.44312       1.550548  -3.668724      1.577434  
1 1 1 -26 3  6  o 114.0068 1.237542  130.2496       2.821315  131.6730       4.033549  128.8861       3.947718  1.216599       2.475085  
1 1 1 -26 3  7  o 14.49512 0.7130352 2.101664       0.2065937 2.074111       0.2866305 2.131454       0.2980386 -0.1973705     1.426070  
1 1 1 -26 3  8  o 108.3045 1.181512  117.5415       2.559247  117.3297       3.612593  117.7550       3.626090  -0.1955261     2.363024  
1 1 1 -26 3  9  o 41.71086 0.6134648 17.38597       0.5114188 16.80952       0.7076495 18.01624       0.7399415 -1.445488      1.226930  
1 1 1 -26 3  10 o 80.47144 0.9195555 64.61452       1.476108  61.93094       2.002105  67.81055       2.184918  -3.644447      1.839111  
1 1 1 -26 3  11 f 52.35800 0.6804367 27.34510       0.7111167 26.09886       0.9690932 28.79902       1.046730  -2.575806      1.360873  
1 1 1 -26 3  12 f 80.05643 0.9146351 64.16295       1.464327  63.69159       2.055007  64.64915       2.087107  -0.5965195     1.829270  
1 1 1 -26 3  13 o 77.85181 1.105355  60.90840       1.623802  61.29650       1.993588  60.14340       2.798956  0.7864838      2.210711  
1 1 1 -26 3  14 o 99.92601 1.356084  100.4472       2.563101  101.1264       3.154980  99.12881       4.395625  1.086815       2.712168  
1 1 1 -26 3  15 o 149.4458 2.269137  225.0609       6.782176  225.8878       9.620605  224.2440       9.562550  0.5429382      4.538274  
1 1 1 -26 3  16 o 71.36096 1.201506  50.96019       1.712987  49.50137       2.357445  52.59202       2.493320  -2.156776      2.403012  
1 1 1 -26 3  17 o 47.29787 0.9468420 22.39997       0.8956427 22.20594       1.260584  22.59776       1.272763  -0.4135895     1.893684  
1 1 1 -26 3  18 o 21.66231 0.8497415 4.983930       0.3361443 3.940441       0.5765978 5.521159       0.4137224 -3.655689      1.699483  
1 1 1 -26 3  19 f 37.00529 0.6118201 13.51020       0.4496332 11.88109       0.5965878 15.65239       0.6841156 -5.092678      1.223640  
1 1 1 -26 3  20 o 46.27510 0.6554977 21.40530       0.6062619 22.04813       0.8771596 20.81735       0.8388879 1.328453       1.310995  
1 1 1 -26 3  21 o 58.04406 0.7370735 33.60920       0.8537255 35.33173       1.259959  32.14706       1.160825  2.739166       1.474147  
1 1 1 -26 3  22 o 9.685833 1.185565  0.9775901      0.2186745 0.6760118      0.3079779 1.284213       0.3105431 -3.275263      2.371130  
1 1 1 -26 3  23 o 33.40997 0.6159909 11.17075       0.4115549 11.08051       0.5851014 11.25913       0.5789998 -0.2675552     1.231982  
1 1 1 -26 3  24 o 91.44601 1.030219  83.74055       1.883387  85.33094       2.711801  82.25859       2.617712  1.673538       2.060439  
1 1 1 -26 3  25 o 63.80758 0.7886521 40.76023       1.006374  41.02965       1.433084  40.49809       1.413572  0.4154739      1.577304  
1 1 1 -26 3  26 o 67.26651 0.8172603 45.28061       1.099081  44.33021       1.529154  46.29628       1.580801  -1.458435      1.634521  
1 1 1 -26 3  27 o 80.24196 0.9312654 64.49831       1.494531  64.45610       2.113190  64.54058       2.113982  -0.5258942E-01 1.862531  
1 1 1 -26 3  28 o 35.32584 0.6383516 12.48409       0.4508717 12.70374       0.6473278 12.27711       0.6283532 0.6029778      1.276703  
1 1 1 -26 3  29 o 63.88935 0.7957540 40.78608       1.015308  42.46609       1.485818  39.31443       1.390630  2.460644       1.591508  
1 1 1 -26 3  30 o 30.47437 0.6448206 9.295689       0.3930021 9.378793       0.5568387 9.213208       0.5547451 0.2715702      1.289641  
1 1 1 -26 3  31 o 19.37272 0.7604976 3.761855       0.2942356 3.530248       0.4161625 3.993349       0.4160613 -1.195246      1.520995  
1 1 1 -26 3  32 o 23.09422 0.7130694 5.327285       0.3276653 4.614408       0.4516935 6.119089       0.4760419 -3.256155      1.426139  
1 1 1 -26 3  33 o 18.83421 1.022770  3.545763       0.3829188 3.031506       0.5261008 4.125102       0.5583994 -2.900057      2.045540  
1 1 1 -26 3  34 o 45.22890 0.6880736 20.45764       0.6219907 21.26287       0.8998647 19.72099       0.8606974 1.701767       1.376147  
1 1 1 -26 3  35 o 32.61742 0.6665300 10.61868       0.4340257 11.52076       0.6331921 9.819198       0.5960962 2.605774       1.333060  
1 1 1 -26 3  36 o 40.99819 0.6822929 16.75861       0.5581580 17.98008       0.8240034 15.72297       0.7587386 2.747849       1.364586  
1 1 1 -26 3  37 o 34.93999 0.6751924 12.22639       0.4716160 11.75015       0.6638924 12.71156       0.6700822 -1.375328      1.350385  
1 1 1 -26 3  38 f 20.07642 0.8053212 4.022036       0.3225972 4.410917       0.4732848 3.684584       0.4408797 1.805754       1.610642  
1 1 1 -26 3  39 o 7.485008 1.447785  0.5109431      0.2585564 1.016648       0.3763441 0.5887707E-01  0.3558259 4.783391       2.895570  
1 1 1 -26 3  40 o 20.53596 0.8133878 4.228395       0.3340243 4.152155       0.4729919 4.304243       0.4717740 -0.3704300     1.626776  
1 1 1 -26 3  41 o 23.24936 0.7658070 5.406728       0.3537281 4.594778       0.4877058 6.307917       0.5138085 -3.681549      1.531614  
1 1 1 -26 3  42 o 21.43924 0.8201370 4.610152       0.3515628 4.501452       0.4984895 4.717720       0.4958905 -0.5046787     1.640274  
1 1 1 -26 3  43 o 24.76114 0.7779592 6.110707       0.3829891 7.125854       0.5635368 5.239387       0.5220914 3.804621       1.555918  
1 1 1 -26 3  44 o 32.66135 0.7265655 10.62362       0.4727131 9.421220       0.6423737 12.04382       0.6981366 -4.008560      1.453131  
1 1 1 -26 3  45 o 6.941972 1.681713  0.4172608      0.2926310 0.1963800      0.4090240 0.6488659      0.4188359 -2.061160      3.363425  
1 1 1 -26 3  46 o 15.95336 1.062650  2.576839       0.3299767 1.857904       0.4553556 3.371861       0.4788452 -4.740664      2.125301  
1 1 1 -26 3  47 o 51.86428 0.7756186 26.96123       0.8042001 27.63923       1.158039  26.32969       1.117657  1.256897       1.551237  
1 1 1 -26 3  48 o 12.19146 1.390175  1.534831       0.3272828 1.793239       0.4629430 1.276636       0.4627526 2.292615       2.780349  
1 1 1 -26 3  49 o 31.63789 0.7692280 10.04077       0.4864956 9.611474       0.6826674 10.48377       0.6934772 -1.376915      1.538456  
1 1 1 -26 3  50 o 6.736017 1.748877  0.3222163      0.3254948 0.4644140E-01  0.4606348 0.5972367      0.4600042 -2.124976      3.497754  
1 1 1 -26 3  51 o 37.05883 0.7786343 13.75023       0.5762331 12.78137       0.7940218 14.82822       0.8375531 -2.754097      1.557269  
1 1 1 -26 3  52 o 18.64570 1.058605  3.505169       0.3940894 3.266122       0.5568577 3.745023       0.5577968 -1.283987      2.117210  
1 1 1 -26 3  53 o 15.17521 1.565100  2.349212       0.4523849 1.721266       0.6084772 3.125278       0.6764446 -4.784003      3.130199  
1 1 1 -26 3  54 o 32.41807 1.108903  10.60112       0.7188508 10.53796       1.024137  10.66246       1.009244  -0.1961365     2.217805  
1 1 1 -26 3  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 4  1  o 70.29916 0.8225336 49.45725       1.156175  50.22816       1.657931  48.72743       1.613146  1.065231       1.645067  
1 1 1 -26 4  2  o 33.78103 0.5660906 11.41413       0.3823852 11.73978       0.5455329 11.09960       0.5361381 0.9472427      1.132181  
1 1 1 -26 4  3  o 33.41556 0.5670447 11.16468       0.3788409 10.88091       0.5278145 11.46622       0.5440795 -0.8752975     1.134089  
1 1 1 -26 4  4  o 88.50591 0.9902536 78.41351       1.752197  77.12550       2.437656  79.79042       2.520375  -1.500999      1.980507  
1 1 1 -26 4  5  o 19.11770 0.6011050 3.670903       0.2289020 3.982988       0.3201977 3.344714       0.3273535 1.669559       1.202210  
1 1 1 -26 4  6  o 30.60398 0.5639790 9.328856       0.3444192 8.708581       0.4687176 10.05685       0.5077897 -2.201584      1.127958  
1 1 1 -26 4  7  o 33.39631 0.5688586 11.15533       0.3798788 11.00218       0.5307670 11.31618       0.5439343 -0.4696999     1.137717  
1 1 1 -26 4  8  o 81.52165 0.9260907 66.33690       1.506541  69.53111       2.222798  63.62280       2.048947  3.615135       1.852181  
1 1 1 -26 4  9  o 57.26965 0.7160326 32.78978       0.8195583 31.97053       1.133358  33.68771       1.186531  -1.497173      1.432065  
1 1 1 -26 4  10 o 24.63658 0.5807324 6.072787       0.2861148 6.188621       0.4054201 5.957855       0.4038395 0.4682941      1.161465  
1 1 1 -26 4  11 o 48.74011 0.6551579 23.75165       0.6383051 23.19670       0.8851210 24.35298       0.9213692 -1.184902      1.310316  
1 1 1 -26 4  12 o 46.95457 0.6457041 22.05496       0.6062648 21.74865       0.8475624 22.37591       0.8675635 -0.6672554     1.291408  
1 1 1 -26 4  13 o 69.95056 0.8249969 48.88818       1.152719  50.77364       1.682649  47.22078       1.582351  2.535133       1.649994  
1 1 1 -26 4  14 o 108.1721 1.184911  117.2546       2.563369  116.6311       3.604422  117.8926       3.646242  -0.5804596     2.369823  
1 1 1 -26 4  15 o 112.0956 1.221734  125.9359       2.738946  125.4472       3.856815  126.4332       3.890312  -0.4376221     2.443467  
1 1 1 -26 4  16 o 68.42208 0.8154790 46.67626       1.112737  44.53010       1.506006  49.25653       1.651307  -3.447464      1.630958  
1 1 1 -26 4  17 o 94.23213 1.051432  88.88548       1.980429  87.20779       2.745252  90.70605       2.859754  -1.849625      2.102865  
1 1 1 -26 4  18 o 33.64863 0.7676035 11.72176       0.4885965 12.71278       0.6153779 10.03143       0.8036833 3.992064       1.535207  
1 1 1 -26 4  19 f 60.07137 1.084786  36.11898       1.302590  35.14099       1.806252  37.17875       1.880257  -1.691635      2.169571  
1 1 1 -26 4  20 o 60.48368 1.089537  36.65207       1.317973  36.48484       1.859297  36.82096       1.868527  -0.2772827     2.179075  
1 1 1 -26 4  21 f 26.93837 0.9408301 7.280658       0.5059100 6.975331       0.7282312 7.565474       0.7033470 -1.096729      1.881660  
1 1 1 -26 4  22 o 98.72263 1.566499  97.82037       3.091663  99.68446       4.451498  96.08333       4.297131  1.809067       3.132998  
1 1 1 -26 4  23 o 34.76406 0.7862805 11.99141       0.5015025 12.36885       0.9209703 11.83232       0.5979260 0.7555580      1.572561  
1 1 1 -26 4  24 o 72.65965 0.9353845 52.09077       1.323860  56.28791       2.165456  49.58586       1.672899  4.580605       1.870769  
1 1 1 -26 4  25 o 99.02493 1.103996  98.21616       2.185102  96.14180       3.026344  100.4753       3.158277  -2.177872      2.207992  
1 1 1 -26 4  26 o 87.18098 0.9932519 76.12273       1.731328  77.36220       2.485836  74.95506       2.412736  1.375458       1.986504  
1 1 1 -26 4  27 o 28.79016 0.6439155 8.305307       0.3698032 7.574643       0.5206313 9.049314       0.5253623 -2.560854      1.287831  
1 1 1 -26 4  28 o 98.29445 1.098769  96.85609       2.159889  97.56300       3.077751  96.17011       3.031854  0.7047424      2.197538  
1 1 1 -26 4  29 o 57.33279 0.7477154 32.34975       0.8481013 36.75668       1.323612  29.28024       1.104656  6.507065       1.495431  
1 1 1 -26 4  30 o 16.80978 0.8255340 2.811550       0.2760715 3.254968       0.4074311 2.435146       0.3753830 2.436324       1.651068  
1 1 1 -26 4  31 f 24.29408 0.6939941 5.817301       0.3344879 6.891849       0.5092064 5.001729       0.4436212 3.886129       1.387988  
1 1 1 -26 4  32 f 14.41387 1.162633  2.083155       0.3349580 2.187318       0.4808932 1.984997       0.4668244 0.7003183      2.325265  
1 1 1 -26 4  33 o 39.65885 0.6671647 15.74760       0.5290978 15.37539       0.7457089 16.12494       0.7508321 -0.9446602     1.334329  
1 1 1 -26 4  34 o 20.06986 0.7703847 4.038274       0.3089756 3.918460       0.4414770 4.153306       0.4325739 -0.5857830     1.540769  
1 1 1 -26 4  35 o 57.85270 0.7650904 33.39460       0.8829765 35.35569       1.307234  31.74917       1.197415  3.108082       1.530181  
1 1 1 -26 4  36 o 23.20316 0.7390876 5.368194       0.3421887 5.834600       0.5038887 4.969006       0.4661657 1.862148       1.478175  
1 1 1 -26 4  37 o 45.02654 0.6994197 20.23449       0.6285785 21.46109       0.9255673 19.18448       0.8563508 2.522396       1.398839  
1 1 1 -26 4  38 o 19.52583 1.277668  3.810352       0.4972464 4.136410       0.7414504 3.543837       0.6703396 1.506155       2.555336  
1 1 1 -26 4  39 o 10.71017 1.344283  1.186453       0.2766588 1.539112       0.3983909 0.8579780      0.3844885 3.332611       2.688566  
1 1 1 -26 4  40 o 23.86516 0.7683059 5.712792       0.3662181 5.361268       0.5172060 6.066239       0.5186180 -1.476845      1.536612  
1 1 1 -26 4  41 o 47.96118 0.8767642 23.04668       0.7986022 23.15257       1.364281  22.99148       0.9849921 0.1225014      1.753528  
1 1 1 -26 4  42 o 39.84351 0.8479738 15.33949       0.6306844 17.53405       1.147228  14.38899       0.7550108 3.898651       1.695948  
1 1 1 -26 4  43 o 32.31969 0.9082112 10.54311       0.5822961 9.916342       0.8651080 11.06227       0.7873546 -1.783190      1.816422  
1 1 1 -26 4  44 o 18.15718 1.220484  3.308086       0.4421711 3.643431       0.6444180 3.009737       0.6078331 1.737885       2.440968  
1 1 1 -26 4  45 o 15.56535 1.379512  2.440264       0.4289655 2.559413       0.6249512 2.334117       0.5898657 0.7153006      2.759025  
1 1 1 -26 4  46 o 29.28376 1.015599  8.618644       0.5945039 8.248146       0.8353088 8.998963       0.8463103 -1.280001      2.031198  
1 1 1 -26 4  47 o 46.44463 1.037867  21.68700       0.9637453 21.77405       1.382119  21.60463       1.344542  0.1753769      2.075733  
1 1 1 -26 4  48 o 29.64553 1.025140  8.841411       0.6074759 8.752843       0.8712608 8.925202       0.8474361 -0.2953968     2.050279  
1 1 1 -26 4  49 o 45.44775 1.035113  20.78020       0.9407339 20.31428       1.326880  21.25109       1.333946  -1.029190      2.070227  
1 1 1 -26 4  50 o 37.38449 1.037350  14.05072       0.7745721 14.40225       1.130316  13.73949       1.063551  0.8712769      2.074701  
1 1 1 -26 4  51 o 33.64530 0.9827380 11.29740       0.6539984 10.81130       0.8555983 11.98057       1.014311  -1.703278      1.965476  
1 1 1 -26 4  52 o 15.06298 1.550567  2.477652       0.4247319 2.926780       0.5496565 1.812042       0.6691388 3.946244       3.101133  
1 1 1 -26 4  53 o 36.78555 1.073078  13.65064       0.7888756 13.29365       1.127760  13.99269       1.103900  -0.9565010     2.146157  
1 1 1 -26 4  54 o 15.17698 1.746904  2.413152       0.4984779 1.552657       0.6828870 3.394615       0.7293090 -6.244033      3.493808  
1 1 1 -26 4  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 5  1  o 36.25900 0.5720005 13.13003       0.4143540 12.63648       0.5699832 13.68318       0.6034151 -1.442181      1.144001  
1 1 1 -26 5  2  o 85.03024 0.9601047 72.39672       1.632482  71.58080       2.283385  73.24983       2.334830  -0.9785156     1.920209  
1 1 1 -26 5  3  o 70.84408 0.8292800 50.22070       1.174569  49.38871       1.634740  51.10857       1.688758  -1.211258      1.658560  
1 1 1 -26 5  4  o 35.73704 0.5742465 12.77814       0.4104305 12.79002       0.5789081 12.76613       0.5819768 0.3351593E-01  1.148493  
1 1 1 -26 5  5  o 91.37198 1.463682  83.35267       2.664388  79.33394       3.582597  88.32626       3.985559  -4.887947      2.927364  
1 1 1 -26 5  6  o 37.94921 0.5878273 14.40825       0.4461344 14.51173       0.6343406 14.30697       0.6275727 0.2695732      1.175655  
1 1 1 -26 5  7  o 52.55453 0.6794639 27.43544       0.7110997 29.86056       1.068028  25.50433       0.9530576 4.140221       1.358928  
1 1 1 -26 5  8  o 36.09454 0.5786777 13.03399       0.4177229 13.20940       0.5932555 12.86152       0.5882749 0.4817467      1.157355  
1 1 1 -26 5  9  o 105.1826 1.152459  110.8097       2.423552  112.6752       3.482623  109.0580       3.374761  1.712715       2.304918  
1 1 1 -26 5  10 o 75.26244 0.8716691 56.48288       1.308318  53.87539       1.770686  59.61799       1.941581  -3.806984      1.743338  
1 1 1 -26 5  11 o 115.7292 1.256805  134.2392       2.908693  135.4239       4.148827  133.0940       4.079086  1.001854       2.513609  
1 1 1 -26 5  12 o 72.91936 0.8503832 53.12222       1.238364  51.32921       1.696367  55.16793       1.811967  -2.626839      1.700766  
1 1 1 -26 5  13 o 74.89034 0.8686161 56.13882       1.300814  55.52257       1.820168  56.78215       1.859727  -0.8390884     1.737232  
1 1 1 -26 5  14 f 63.99070 0.7779993 40.74748       0.9918095 43.63230       1.484773  38.42311       1.332768  4.063831       1.555999  
1 1 1 -26 5  15 f 70.05685 0.8290467 49.13158       1.161605  49.25393       1.644931  49.00988       1.640593  0.1739883      1.658093  
1 1 1 -26 5  16 f 88.98117 1.003036  79.29752       1.784980  79.71822       2.535440  78.88409       2.513391  0.4674911      2.006072  
1 1 1 -26 5  17 o 61.18841 0.7590575 37.40424       0.9277327 38.81894       1.354220  36.15312       1.273520  2.174961       1.518115  
1 1 1 -26 5  18 o 68.88519 0.8221967 47.48744       1.132477  46.82377       1.580894  48.18699       1.623068  -0.9875336     1.644393  
1 1 1 -26 5  19 o 24.28342 0.6323479 5.844887       0.3049524 4.960494       0.4114915 6.922389       0.4542003 -4.038025      1.264696  
1 1 1 -26 5  20 o 58.30237 0.7389119 33.88645       0.8595137 32.13235       1.166822  35.96745       1.270909  -3.284393      1.477824  
1 1 1 -26 5  21 o 77.98726 0.9052140 60.78779       1.409905  58.78196       1.932497  63.07050       2.061570  -2.742287      1.810428  
1 1 1 -26 5  22 o 82.19875 0.9443824 67.65096       1.552110  68.73840       2.227121  66.62403       2.164258  1.282280       1.888765  
1 1 1 -26 5  23 o 80.55876 1.141505  66.09972       1.769224  69.19011       2.246670  61.05460       2.870575  5.097221       2.283010  
1 1 1 -26 5  24 f 54.85378 0.8950064 30.54733       0.9330267 31.51819       1.162110  28.78640       1.565086  2.514915       1.790013  
1 1 1 -26 5  25 o 64.25120 1.147681  41.11024       1.468436  44.36740       2.205436  38.51632       1.968129  4.534184       2.295363  
1 1 1 -26 5  26 o 27.56413 0.9747683 7.556788       0.5354128 8.388691       0.7972694 6.873410       0.7226015 2.743517       1.949537  
1 1 1 -26 5  27 f 66.94049 1.177309  44.94002       1.576189  44.80426       2.228130  45.07600       2.230008  -0.2028122     2.354619  
1 1 1 -26 5  28 o 37.81561 0.9692199 14.30386       0.7317130 13.14102       1.013318  15.57080       1.057706  -3.209267      1.938440  
1 1 1 -26 5  29 o 26.37566 0.9308330 6.927519       0.4719063 7.126392       0.7897698 6.817087       0.5885212 0.5709820      1.861666  
1 1 1 -26 5  30 f 47.89308 0.8776935 22.98405       0.7790618 22.97014       1.394051  22.99036       0.9394544 -0.5463028E-01 1.755387  
1 1 1 -26 5  31 f 8.919390 1.823319  0.8691434      0.3062532 0.4683520      0.7301177 0.9547165      0.3373668 -1.348994      3.646638  
1 1 1 -26 5  32 o 57.14240 0.8185433 32.25015       0.9130474 34.77942       1.483924  30.70924       1.158250  3.535709       1.637087  
1 1 1 -26 5  33 o 22.79926 0.7270288 5.215596       0.3307771 5.028955       0.4786614 5.386193       0.4576263 -0.7850132     1.454058  
1 1 1 -26 5  34 o 64.33177 0.9783223 41.87792       1.204160  40.18980       2.000565  42.83699       1.507907  -2.107338      1.956645  
1 1 1 -26 5  35 f 24.63203 0.8263489 5.780820       0.3886129 7.083288       0.6817139 5.153819       0.4729907 3.897825       1.652698  
1 1 1 -26 5  36 o 65.53740 1.143784  43.08974       1.498111  44.22720       2.169703  42.05338       2.071038  1.645538       2.287568  
1 1 1 -26 5  37 o 47.11466 0.9642853 22.24847       0.9081514 22.86185       1.310890  21.68241       1.259303  1.245674       1.928571  
1 1 1 -26 5  38 o 30.96487 1.302180  0.000000       0.000000  ?              ?         9.617479       0.8064367 ?              ?         
1 1 1 -26 5  39 o 37.78561 0.9200447 14.30498       0.6946861 13.50583       0.9650527 15.16442       1.000791  -2.190346      1.840089  
1 1 1 -26 5  40 o 49.59983 1.003200  24.65143       0.9941928 23.65522       1.369638  25.76094       1.445423  -2.112350      2.006400  
1 1 1 -26 5  41 o 32.79439 0.8317046 10.36191       0.5190498 9.506911       0.6314296 12.14353       0.9114868 -3.986952      1.663409  
1 1 1 -26 5  42 o 20.86005 0.9518074 4.351848       0.3887397 4.291420       0.4994153 4.444746       0.6192277 -0.3509026     1.903615  
1 1 1 -26 5  43 o 41.55100 0.7553603 17.22852       0.6228901 16.70657       0.8255879 17.91826       0.9490613 -1.443962      1.510721  
1 1 1 -26 5  44 o 47.87109 0.7441975 22.97033       0.7124172 22.50145       0.9989273 23.45567       1.016318  -0.9945030     1.488395  
1 1 1 -26 5  45 o 33.47481 0.7385618 11.22601       0.4940200 10.57332       0.6884707 11.91879       0.7092941 -2.006973      1.477124  
1 1 1 -26 5  46 o 49.06643 0.7544800 24.11594       0.7398657 24.86384       1.071359  23.43407       1.022973  1.450527       1.508960  
1 1 1 -26 5  47 o 31.31884 0.7469705 9.836203       0.4678208 9.609868       0.6583933 10.06700       0.6648509 -0.7289181     1.493941  
1 1 1 -26 5  48 o 56.69562 0.8065616 32.25217       0.9144520 31.72834       1.280925  32.79662       1.305897  -0.9381599     1.613123  
1 1 1 -26 5  49 o 12.40215 1.406485  1.591782       0.3329993 2.035807       0.4804580 1.181306       0.4619514 3.615962       2.812970  
1 1 1 -26 5  50 o 35.60660 0.7767776 12.70992       0.5523988 11.79702       0.7674462 13.69138       0.7957416 -2.655220      1.553555  
1 1 1 -26 5  51 f 34.79699 0.7721813 12.06842       0.5355074 13.35205       0.7968559 11.01129       0.7231426 3.350861       1.544363  
1 1 1 -26 5  52 o 18.60826 1.294457  3.528697       0.4772395 3.243230       0.7065855 3.768167       0.6471602 -1.428352      2.588914  
1 1 1 -26 5  53 o 27.15714 1.122790  7.451227       0.6088801 7.878379       0.8574529 7.016757       0.8647668 1.588430       2.245579  
1 1 1 -26 5  54 o 12.15557 2.931573  0.000000       0.000000  ?              ?         1.580519       0.7054760 ?              ?         
1 1 1 -26 6  1  o 57.30408 0.7101789 32.57588       0.8093894 35.62905       1.226345  30.21944       1.077369  4.713093       1.420358  
1 1 1 -26 6  2  o 63.64709 0.7642706 40.49114       0.9717748 39.34497       1.336442  41.77704       1.415562  -1.906761      1.528541  
1 1 1 -26 6  3  o 63.68023 0.7639583 40.41320       0.9701417 42.88810       1.440732  38.36010       1.312229  3.549286       1.527917  
1 1 1 -26 6  4  o 63.99757 0.7674996 40.78555       0.9788351 38.63632       1.318074  43.42827       1.461587  -3.737339      1.534999  
1 1 1 -26 6  5  o 38.97513 0.5868930 15.19434       0.4573945 14.96367       0.6391366 15.43651       0.6548567 -0.6060562     1.173786  
1 1 1 -26 6  6  o 74.74426 0.8635781 55.62905       1.285819  52.71344       1.727550  59.25048       1.925332  -4.363213      1.727156  
1 1 1 -26 6  7  o 39.90518 0.5933473 15.89262       0.4729327 15.10157       0.6492162 16.78704       0.6903314 -2.110474      1.186695  
1 1 1 -26 6  8  o 20.62720 0.6917869 4.441448       0.2716199 3.540432       0.4295866 5.041576       0.3505956 -3.641697      1.383574  
1 1 1 -26 6  9  f 72.76724 0.8475044 52.87109       1.231033  50.89220       1.678921  55.17203       1.810389  -2.934578      1.695009  
1 1 1 -26 6  10 o 77.53352 0.8918827 60.13629       1.382109  58.80223       1.913085  61.59278       1.998935  -1.795326      1.783765  
1 1 1 -26 6  11 o 119.7531 1.296737  143.2893       3.097034  137.5736       4.195150  150.1355       4.591350  -5.216476      2.593474  
1 1 1 -26 6  12 o 65.76376 0.7906692 43.28901       1.039908  43.06482       1.462949  43.51799       1.478478  -0.3438568     1.581338  
1 1 1 -26 6  13 o 70.69570 0.8337584 49.66479       1.172773  46.61440       1.564837  53.57369       1.771408  -4.912430      1.667517  
1 1 1 -26 6  14 f 22.39521 0.6041322 5.016012       0.2705286 5.157028       0.3872262 4.881560       0.3781072 0.6147060      1.208264  
1 1 1 -26 6  15 o 40.08511 0.6125250 16.02477       0.4902480 15.07285       0.6709492 17.11513       0.7180786 -2.545799      1.225050  
1 1 1 -26 6  16 f 74.33481 0.8682221 55.30497       1.290450  54.53695       1.800407  56.11638       1.850570  -1.059898      1.736444  
1 1 1 -26 6  17 o 49.17104 0.6688336 24.08474       0.6560402 25.76159       0.9714533 22.67883       0.8895141 3.131550       1.337667  
1 1 1 -26 6  18 o 55.24211 0.7125025 30.54109       0.7871726 30.34165       1.107307  30.74486       1.119250  -0.3644485     1.425005  
1 1 1 -26 6  19 o 23.87197 0.6178981 5.664669       0.2930613 4.813694       0.3985472 6.666462       0.4324250 -3.879356      1.235796  
1 1 1 -26 6  20 o 37.53054 0.6174075 13.88190       0.4598967 12.08020       0.6094176 16.26529       0.7009254 -5.571983      1.234815  
1 1 1 -26 6  21 o 42.73457 0.6416009 18.27544       0.5483037 18.34676       0.7822227 18.20655       0.7687888 0.1634712      1.283202  
1 1 1 -26 6  22 o 38.85986 0.6250423 15.11156       0.4857154 14.76958       0.6840957 15.45921       0.6897498 -0.8870850     1.250085  
1 1 1 -26 6  23 o 49.77307 0.6818706 24.79300       0.6786869 24.99945       0.9691616 24.59433       0.9507204 0.4060860      1.363741  
1 1 1 -26 6  24 o 23.35470 0.6543700 5.377155       0.3029760 6.477474       0.4590088 4.527635       0.4033186 4.171858       1.308740  
1 1 1 -26 6  25 o 74.04112 0.8757697 54.90209       1.296798  55.17461       1.844609  54.63577       1.823473  0.3625793      1.751539  
1 1 1 -26 6  26 o 56.24290 0.7339398 31.47451       0.8224598 33.88317       1.230294  29.52832       1.105894  3.864708       1.467880  
1 1 1 -26 6  27 o 30.77193 0.6352675 9.480129       0.3908578 9.334009       0.5565410 9.622342       0.5490480 -0.4688740     1.270535  
1 1 1 -26 6  28 o 72.80460 0.8764449 52.86528       1.271827  55.83604       1.895535  50.43282       1.715222  3.697746       1.752890  
1 1 1 -26 6  29 o 26.48714 0.8557029 6.945710       0.4495031 5.814119       0.6033918 8.356826       0.6738080 -4.794777      1.711406  
1 1 1 -26 6  30 o 51.82635 1.202029  27.14721       1.179175  27.55881       1.455848  26.36219       2.010567  1.212921       2.404058  
1 1 1 -26 6  31 o 56.15489 1.454037  31.62333       1.633026  31.62333       1.633026  ?              ?         ?              ?         
1 1 1 -26 6  32 o 20.57779 1.323512  4.245105       0.5446990 4.245105       0.5446990 ?              ?         ?              ?         
1 1 1 -26 6  33 o 40.46375 1.982771  16.46836       1.604607  16.46836       1.604607  ?              ?         ?              ?         
1 1 1 -26 6  34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 6  35 o 49.38103 1.515503  24.47382       1.496742  24.47382       1.496742  ?              ?         ?              ?         
1 1 1 -26 6  36 f 53.13455 1.276823  28.86474       1.327240  31.23324       1.751714  25.67236       2.033694  5.274776       2.553646  
1 1 1 -26 6  37 o 62.38708 1.179978  39.04625       1.470839  40.58014       2.139388  37.67139       2.025448  2.314487       2.359957  
1 1 1 -26 6  38 o 49.56557 1.076849  24.39148       1.060850  27.31913       1.613478  22.16213       1.407969  5.173168       2.153698  
1 1 1 -26 6  39 f 47.85099 1.087130  22.91331       1.038001  24.27968       1.533073  21.75671       1.410487  2.618225       2.174261  
1 1 1 -26 6  40 o 24.95616 1.181388  6.267142       0.5889823 5.929704       0.8336801 6.603395       0.8322155 -1.349985      2.362776  
1 1 1 -26 6  41 o 34.68010 1.083129  12.02925       0.7494860 12.97154       1.106306  11.22989       1.018942  2.497284       2.166257  
1 1 1 -26 6  42 f 53.70549 1.130872  28.94722       1.213521  27.87846       1.672130  30.13653       1.763902  -2.086987      2.261745  
1 1 1 -26 6  43 o 6.631629 1.969690  0.4671084E-01  0.4504551 -0.2340750     0.6832917 0.2625404      0.5990651 -0.8564925     3.939380  
1 1 1 -26 6  44 o 22.55809 1.304242  5.128825       0.5868544 5.159140       0.8630946 5.102759       0.8003297 0.1108570      2.608483  
1 1 1 -26 6  45 o 50.03838 1.130113  25.18999       1.130743  24.83240       1.579478  25.56594       1.619497  -0.7250023     2.260227  
1 1 1 -26 6  46 o 32.42033 1.124313  10.56993       0.7284815 10.77499       1.054241  10.38255       1.007786  0.5959091      2.248626  
1 1 1 -26 6  47 o 51.46558 1.146593  26.55334       1.177357  24.92080       1.599075  28.48607       1.739892  -3.433159      2.293186  
1 1 1 -26 6  48 o 8.973993 2.281308  0.7042218      0.5219093 0.7679470      0.7701346 0.6500993      0.7097411 0.5515699      4.562616  
1 1 1 -26 6  49 o 67.02899 1.282858  45.27395       1.717498  43.53746       2.355898  47.24371       2.509157  -2.723045      2.565716  
1 1 1 -26 6  50 o 45.75211 1.169807  21.08893       1.069721  22.15764       1.540006  20.09249       1.487013  2.243126       2.339615  
1 1 1 -26 6  51 o 10.25933 2.380726  1.027519       0.6662089 -0.7145755     1.256708  1.708466       0.7856968 -4.741790      4.761452  
1 1 1 -26 6  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 6  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 6  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 7  1  f 33.90134 0.5519649 11.49989       0.3742433 11.51159       0.5305735 11.48830       0.5279559 0.3425217E-01  1.103930  
1 1 1 -26 7  2  o 50.15226 0.6550151 24.92035       0.6531209 27.52871       0.9918530 22.92353       0.8678271 4.585621       1.310030  
1 1 1 -26 7  3  o 67.16399 0.7958921 45.01080       1.066509  43.09270       1.448274  47.28330       1.576402  -3.112915      1.591784  
1 1 1 -26 7  4  o 14.31436 0.6031747 2.051714       0.1703724 2.518604       0.2473405 1.630187       0.2350176 3.102765       1.206349  
1 1 1 -26 7  5  o 12.09624 0.6960005 1.484555       0.1613668 2.050355       0.2346345 0.9767678      0.2222805 4.437178       1.392001  
1 1 1 -26 7  6  o 51.81658 0.6717775 26.86318       0.6960781 26.45970       0.9740539 27.28427       0.9950892 -0.7947998     1.343555  
1 1 1 -26 7  7  o 77.29716 0.8872806 59.80050       1.371248  60.87127       1.969749  58.79359       1.910102  1.340805       1.774561  
1 1 1 -26 7  8  o 27.87635 0.5509071 7.774032       0.3070006 7.452193       0.4313776 8.104324       0.4370061 -1.169500      1.101814  
1 1 1 -26 7  9  o 49.58577 0.6602936 24.41683       0.6519237 22.65576       0.8731589 26.63515       0.9799777 -4.008514      1.320587  
1 1 1 -26 7  10 o 48.90724 0.6555944 23.91198       0.6408854 24.63020       0.9260941 23.25190       0.8878151 1.407635       1.311189  
1 1 1 -26 7  11 o 66.88863 1.055699  45.10538       1.385882  46.38422       1.808814  43.28748       2.156603  2.336021       2.111397  
1 1 1 -26 7  12 o 13.52397 0.7497172 1.850241       0.1950307 2.536502       0.2842167 1.239525       0.2681170 4.794427       1.499434  
1 1 1 -26 7  13 o 66.64154 0.7987297 44.45768       1.064570  44.38271       1.503760  44.53300       1.507304  -0.1125870     1.597459  
1 1 1 -26 7  14 o 47.97716 0.6571603 22.65664       0.6247852 20.30018       0.8187457 25.94197       0.9667409 -5.873920      1.314321  
1 1 1 -26 7  15 o 43.40794 0.6330377 18.84863       0.5494794 19.24159       0.7859198 18.47285       0.7685342 0.8848228      1.266075  
1 1 1 -26 7  16 o 97.23150 1.081113  94.69734       2.101781  93.41811       2.931063  96.05132       3.015467  -1.348541      2.162227  
1 1 1 -26 7  17 o 47.43638 0.6607456 22.50165       0.6265548 23.06994       0.9037175 21.97565       0.8694407 1.152023       1.321491  
1 1 1 -26 7  18 o 85.00959 0.9685745 72.15271       1.642787  75.68157       2.427631  69.17161       2.231273  3.816696       1.937149  
1 1 1 -26 7  19 o 38.60360 0.6187822 14.90615       0.4775187 15.12865       0.6878762 14.69919       0.6634147 0.5552254      1.237564  
1 1 1 -26 7  20 o 92.99834 1.043629  86.61196       1.940144  88.43736       2.797905  84.92128       2.692674  1.882835       2.087257  
1 1 1 -26 7  21 o 37.11316 0.6161495 13.78239       0.4573119 13.62836       0.6420496 13.94099       0.6515280 -0.4207687     1.232299  
1 1 1 -26 7  22 o 51.59044 0.6939620 26.61444       0.7155584 27.35013       1.035296  25.94156       0.9901192 1.362946       1.387924  
1 1 1 -26 7  23 o 23.97552 0.6365972 5.743805       0.3050136 6.011107       0.4417700 5.500306       0.4216423 1.064358       1.273194  
1 1 1 -26 7  24 o 31.19942 0.7096941 9.767191       0.4268464 9.656127       0.7026466 9.832150       0.5373651 -0.2903996     1.419388  
1 1 1 -26 7  25 o 24.29643 0.7909014 5.705384       0.3775604 7.305094       0.6013429 4.664391       0.4850939 5.427433       1.581803  
1 1 1 -26 7  26 o 62.72139 1.079348  39.43407       1.353784  39.97951       1.933940  38.90997       1.895712  0.8493195      2.158696  
1 1 1 -26 7  27 o 101.9345 1.591623  104.2237       3.237337  108.7383       4.777382  100.3904       4.402172  4.045380       3.183247  
1 1 1 -26 7  28 o 52.41290 0.9694152 27.40043       1.012981  29.17259       1.507588  25.94179       1.367743  3.070499       1.938830  
1 1 1 -26 7  29 o 61.16643 0.9326348 37.74749       1.101273  38.49271       1.394099  36.51060       1.796042  1.653305       1.865270  
1 1 1 -26 7  30 o 60.65072 0.9257674 37.20427       1.083070  38.19493       1.372127  35.56681       1.764071  2.200562       1.851535  
1 1 1 -26 7  31 o 36.24561 0.6543744 13.15251       0.4743348 12.94913       0.6678737 13.35951       0.6737869 -0.5657272     1.308749  
1 1 1 -26 7  32 o 102.4985 1.146501  105.3062       2.347430  108.5853       3.422945  102.3946       3.225392  2.996239       2.293002  
1 1 1 -26 7  33 o 40.94869 0.6658649 16.76496       0.5448890 15.93299       0.7548627 17.67006       0.7873420 -2.118736      1.331730  
1 1 1 -26 7  34 o 57.55675 0.7611423 33.11778       0.8748628 34.42691       1.280597  31.97207       1.198014  2.125557       1.522285  
1 1 1 -26 7  35 f 53.12170 0.7351342 28.25501       0.7807287 28.76692       1.123198  27.77647       1.085977  0.9290581      1.470268  
1 1 1 -26 7  36 o 54.36371 0.7470353 29.60634       0.8121284 29.90934       1.159791  29.31484       1.137577  0.5447502      1.494071  
1 1 1 -26 7  37 o 42.68520 0.6931530 18.22568       0.5911089 18.80115       0.8605149 17.71153       0.8133833 1.272125       1.386306  
1 1 1 -26 7  38 o 54.70342 0.7566451 29.97373       0.8274081 30.47301       1.192707  29.51055       1.148791  0.8752327      1.513290  
1 1 1 -26 7  39 o 36.23783 0.9487536 13.18547       0.6646479 13.20875       0.8391238 13.14628       1.088827  0.1183014      1.897507  
1 1 1 -26 7  40 o 93.93750 1.079859  88.65417       2.028697  89.07336       2.884914  88.24410       2.853369  0.4365158      2.159717  
1 1 1 -26 7  41 o 77.06969 0.9325296 59.52868       1.435926  61.36317       2.088718  57.88472       1.977274  2.241478       1.865059  
1 1 1 -26 7  42 o 33.32509 0.7100670 11.08233       0.4722311 11.91756       0.6957637 10.36894       0.6430214 2.317780       1.420134  
1 1 1 -26 7  43 f 42.48942 0.7145261 18.05606       0.6063554 18.86705       0.8865319 17.34319       0.8311747 1.786617       1.429052  
1 1 1 -26 7  44 o 39.18787 0.7206194 15.34062       0.5635929 14.07281       0.7729654 16.77967       0.8235155 -3.447300      1.441239  
1 1 1 -26 7  45 o 23.25352 0.8125286 5.415253       0.3774937 5.759214       0.5463119 5.100964       0.5222164 1.411919       1.625057  
1 1 1 -26 7  46 o 16.84061 1.011027  2.836071       0.3372110 3.431564       0.4959408 2.324038       0.4598755 3.281630       2.022054  
1 1 1 -26 7  47 o 30.18885 0.7717721 9.140928       0.4658871 9.284275       0.6669921 9.004361       0.6510257 0.4611874      1.543544  
1 1 1 -26 7  48 o 32.23710 0.7633677 10.41133       0.4907443 9.349650       0.6803993 11.56247       0.7084869 -3.427788      1.526735  
1 1 1 -26 7  49 o 21.57741 0.8985866 4.686429       0.3871417 4.520907       0.5572987 4.840801       0.5382027 -0.7450848     1.797173  
1 1 1 -26 7  50 o 6.157406 1.638151  0.6010410E-01  0.3328001 -0.5940485     0.4864284 0.6357689      0.4563145 -3.612132      3.276302  
1 1 1 -26 7  51 o 60.74899 1.159612  37.23392       1.408728  36.73996       1.998289  37.72195       1.986251  -0.8114624     2.319224  
1 1 1 -26 7  52 f 20.48957 1.275826  4.225568       0.5206853 4.802279       0.7637770 3.724823       0.7116987 2.612675       2.551651  
1 1 1 -26 7  53 f 25.92258 1.110536  6.750023       0.5709683 5.620712       0.7819038 8.040144       0.8357223 -4.652155      2.221072  
1 1 1 -26 7  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 8  1  o 124.1288 1.922843  155.1952       4.773343  156.3850       6.794049  154.0354       6.707829  0.9348145      3.845686  
1 1 1 -26 8  2  o 80.92212 1.343699  65.57103       2.170914  63.36209       2.966393  68.11848       3.185585  -2.918190      2.687398  
1 1 1 -26 8  3  o 43.64951 0.6033536 19.06239       0.5266632 19.41699       0.7510604 18.71934       0.7387213 0.7986374      1.206707  
1 1 1 -26 8  4  o 93.27279 1.037239  86.77622       1.927824  82.73274       2.595828  91.74925       2.878784  -4.812958      2.074478  
1 1 1 -26 8  5  o 56.33131 0.7045359 31.72716       0.7931486 30.89247       1.096001  32.64494       1.149256  -1.552929      1.409072  
1 1 1 -26 8  6  o 17.12253 0.5523997 2.927181       0.1888529 2.699703       0.2610357 3.177013       0.2735609 -1.393345      1.104799  
1 1 1 -26 8  7  o 61.11899 0.7498920 37.39425       0.9166508 37.50084       1.297572  37.28806       1.295111  0.1739464      1.499784  
1 1 1 -26 8  8  o 18.88798 0.5802940 3.511395       0.2135146 2.519589       0.2839290 4.802247       0.3239177 -6.041147      1.160588  
1 1 1 -26 8  9  o 68.39072 0.8104303 46.82567       1.108462  46.56458       1.558212  47.09316       1.577163  -0.3854599     1.620861  
1 1 1 -26 8  10 o 30.83956 0.5606273 9.461976       0.3447064 8.547803       0.4689550 10.53644       0.5084087 -3.222763      1.121255  
1 1 1 -26 8  11 o 110.7286 1.210150  122.6334       2.674868  127.5448       3.931660  118.4012       3.649723  4.107193       2.420299  
1 1 1 -26 8  12 o 82.85231 0.9445013 68.69461       1.564103  67.12912       2.165916  70.40074       2.261106  -1.968651      1.889003  
1 1 1 -26 8  13 o 31.72824 0.5774012 9.832587       0.3619688 12.05991       0.5631511 8.264618       0.4725005 5.977585       1.154802  
1 1 1 -26 8  14 o 76.29944 0.8851806 58.29932       1.350769  58.41764       1.913862  58.18188       1.906710  0.1540909      1.770361  
1 1 1 -26 8  15 o 11.77469 0.8276737 1.401989       0.1887857 0.9809443      0.2607530 1.865824       0.2736827 -3.756867      1.655347  
1 1 1 -26 8  16 o 92.75046 1.039243  86.19548       1.927660  85.61363       2.706346  86.79465       2.746340  -0.6338730     2.078485  
1 1 1 -26 8  17 o 38.56964 0.6126973 14.62594       0.4684213 12.81380       0.6157309 17.11563       0.7217169 -5.572243      1.225395  
1 1 1 -26 8  18 o 39.46535 0.6207578 15.48544       0.4883398 14.27146       0.6593484 16.96050       0.7268020 -3.403904      1.241516  
1 1 1 -26 8  19 o 70.90929 0.8425824 50.34664       1.194843  49.93368       1.676916  50.77250       1.702909  -0.5899353     1.685165  
1 1 1 -26 8  20 o 60.14288 0.8963101 36.74096       1.047295  33.92253       1.658299  38.61095       1.350762  -3.916817      1.792620  
1 1 1 -26 8  21 f 92.35678 1.335587  85.18219       2.410414  87.53365       3.866728  83.68766       3.082667  2.009087       2.671173  
1 1 1 -26 8  22 o 66.50880 1.110886  44.28047       1.476115  45.66819       2.148180  43.03909       2.031765  1.967316       2.221773  
1 1 1 -26 8  23 o 68.29704 1.134796  46.76669       1.549997  46.38954       2.179689  47.15250       2.204577  -0.5564804     2.269592  
1 1 1 -26 8  24 o 41.57090 0.8501304 17.19956       0.7045642 15.82322       0.9526772 18.86119       1.046764  -3.647736      1.700261  
1 1 1 -26 8  25 f 15.85564 0.9062570 2.595493       0.2775160 2.907788       0.3632093 2.157444       0.4301656 2.370983       1.812514  
1 1 1 -26 8  26 o 21.90831 0.7759200 4.674741       0.3347220 5.596240       0.5336299 4.076997       0.4297843 3.460524       1.551840  
1 1 1 -26 8  27 o 26.32889 0.6439241 6.918833       0.3385599 7.330506       0.4955469 6.558472       0.4636365 1.464363       1.287848  
1 1 1 -26 8  28 o 69.92500 0.8480324 48.96626       1.185660  49.76088       1.700750  48.21491       1.653789  1.101852       1.696065  
1 1 1 -26 8  29 o 17.46938 0.7877207 3.091660       0.2704299 2.429792       0.3821324 3.755705       0.3827597 -3.794917      1.575441  
1 1 1 -26 8  30 o 28.61370 0.6483429 8.191366       0.3707471 8.342113       0.5367437 8.053815       0.5127125 0.5021954      1.296686  
1 1 1 -26 8  31 o 5.217354 1.435251  0.1575659      0.2175687 0.2484035      0.3114747 0.7101464E-01  0.3040372 0.8413596      2.870502  
1 1 1 -26 8  32 o 36.03542 0.6510283 13.00208       0.4691288 13.00118       0.6693570 13.00294       0.6576934 -0.3253937E-02 1.302057  
1 1 1 -26 8  33 o 24.52365 0.6973658 6.024232       0.3406535 5.326389       0.4750594 6.762863       0.4887456 -2.927698      1.394732  
1 1 1 -26 8  34 o 18.02054 0.7980525 3.248224       0.2871651 3.354793       0.4205776 3.155151       0.3930446 0.5513744      1.596105  
1 1 1 -26 8  35 o 56.79273 0.7592692 32.30375       0.8622220 31.46628       1.205264  33.18159       1.233975  -1.507496      1.518538  
1 1 1 -26 8  36 o 15.90774 0.8918277 2.536061       0.2823882 2.883859       0.4072184 2.213880       0.3919345 2.104089       1.783655  
1 1 1 -26 8  37 o 41.64731 0.6869923 17.35964       0.5719558 16.72900       0.7953047 18.03521       0.8231490 -1.565628      1.373985  
1 1 1 -26 8  38 o 40.41322 0.6949736 16.19986       0.5589133 14.47523       0.7490837 18.36573       0.8394597 -4.804852      1.389947  
1 1 1 -26 8  39 f 60.24800 1.180671  36.49981       1.422653  36.32306       2.009632  36.67737       2.014247  -0.2932663     2.361342  
1 1 1 -26 8  40 o 43.26241 0.7094027 18.73053       0.6133983 17.92054       0.8504024 19.60900       0.8856215 -1.947769      1.418805  
1 1 1 -26 8  41 o 48.59327 0.7356122 23.66726       0.7148830 23.64498       1.015629  23.68914       1.006429  -0.4645157E-01 1.471224  
1 1 1 -26 8  42 o 60.14356 0.8071340 36.27994       0.9708338 36.36325       1.380279  36.19836       1.365769  0.1351814      1.614268  
1 1 1 -26 8  43 o 33.18603 0.7178271 11.04316       0.4761646 10.57504       0.6712937 11.51720       0.6755229 -1.418980      1.435654  
1 1 1 -26 8  44 o 16.04995 1.000642  2.580307       0.3206667 2.775391       0.4688470 2.408840       0.4395517 1.136737       2.001283  
1 1 1 -26 8  45 o 7.152887 1.629084  0.4576256      0.2908535 0.1023142      0.4174310 0.7928949      0.4054870 -3.075583      3.258168  
1 1 1 -26 8  46 o 50.61160 0.7730056 25.69759       0.7824384 25.42493       1.104043  25.97273       1.109044  -0.5404434     1.546011  
1 1 1 -26 8  47 o 20.90306 0.8969260 4.378893       0.3745285 4.644228       0.5449592 4.141390       0.5155870 1.197533       1.793852  
1 1 1 -26 8  48 o 17.15781 1.030018  2.964513       0.3532444 2.875754       0.5027416 3.051064       0.4964441 -0.5122604     2.060036  
1 1 1 -26 8  49 o 23.28153 0.9095714 5.459360       0.4208212 5.346428       0.6281518 5.551317       0.5668240 -0.4523659     1.819143  
1 1 1 -26 8  50 o 20.07206 1.186399  4.063164       0.4737315 4.083735       0.7081226 4.046498       0.6373653 0.7382774E-01  2.372798  
1 1 1 -26 8  51 o 18.09044 1.323198  3.301222       0.4779516 3.560310       0.6975609 3.071957       0.6561862 1.336580       2.646395  
1 1 1 -26 8  52 o 51.14592 1.087942  26.37890       1.112621  26.34549       1.589995  26.41096       1.557476  -0.7285690E-01 2.175883  
1 1 1 -26 8  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 9  1  o 78.29709 1.320117  61.41032       2.064116  59.50498       2.827157  63.58537       3.020640  -2.586800      2.640234  
1 1 1 -26 9  2  o 99.38219 1.589141  99.25352       3.158268  100.5307       4.509377  98.02380       4.424757  1.251617       3.178282  
1 1 1 -26 9  3  o 54.78329 1.062243  29.92768       1.160126  28.26918       1.565836  31.94601       1.727365  -3.343731      2.124487  
1 1 1 -26 9  4  f 24.91957 1.040207  6.232587       0.5174150 6.407523       0.7160699 6.041460       0.7484761 0.7368431      2.080415  
1 1 1 -26 9  5  o 50.71879 1.028545  25.58674       1.038096  23.97191       1.386062  27.64977       1.566649  -3.612701      2.057091  
1 1 1 -26 9  6  o 74.44146 1.270691  55.58878       1.891763  56.25994       2.688152  54.93026       2.662743  0.8908386      2.541383  
1 1 1 -26 9  7  o 34.20248 0.5532185 11.62654       0.3771114 10.72880       0.5084594 12.72414       0.5622153 -2.914871      1.106437  
1 1 1 -26 9  8  o 14.56402 0.5827554 2.128116       0.1687032 2.423833       0.2404064 1.841207       0.2367992 2.000077       1.165511  
1 1 1 -26 9  9  o 32.57711 0.5603051 10.53516       0.3636054 9.598724       0.4891702 11.69136       0.5435493 -3.209692      1.120610  
1 1 1 -26 9  10 o 55.74651 0.7051756 31.10202       0.7861538 31.52880       1.120646  30.68848       1.103139  0.7528305      1.410351  
1 1 1 -26 9  11 f 44.55406 0.6289607 19.76686       0.5588957 18.54868       0.7567342 21.22879       0.8289950 -3.004536      1.257921  
1 1 1 -26 9  12 f 56.72033 0.7174766 32.16303       0.8132594 33.22589       1.179343  31.19935       1.122972  1.783611       1.434953  
1 1 1 -26 9  13 o 63.18155 0.7715108 39.95185       0.9746863 40.62072       1.396628  39.31677       1.360896  1.029972       1.543022  
1 1 1 -26 9  14 o 21.58091 1.148923  4.506361       0.4704125 2.804233       0.6098891 7.006151       0.7391057 -9.725252      2.297846  
1 1 1 -26 9  15 o 35.96428 0.5928764 12.94349       0.4264130 12.72959       0.6020190 13.15884       0.6040643 -0.5966797     1.185753  
1 1 1 -26 9  16 o 73.82062 0.8660780 54.19007       1.272275  50.94539       1.699037  58.33198       1.919626  -4.989639      1.732156  
1 1 1 -26 9  17 o 38.38085 0.7050412 14.71682       0.5219657 14.85335       0.8624722 14.63791       0.6556735 0.2705269      1.410082  
1 1 1 -26 9  18 o 9.195854 1.143985  0.8532753      0.2054573 0.7799407      0.2749815 0.9459537      0.3091276 -1.035979      2.287969  
1 1 1 -26 9  19 o 38.07341 0.7902878 14.51398       0.6017742 14.47459       0.8519429 14.55321       0.8501345 -0.1033478     1.580576  
1 1 1 -26 9  20 o 58.23005 1.000120  33.95457       1.164184  34.64941       1.678117  33.30989       1.616424  1.145763       2.000239  
1 1 1 -26 9  21 o 15.20566 0.8300390 2.287208       0.2482097 2.170010       0.3194703 2.465694       0.3942509 -0.9676590     1.660078  
1 1 1 -26 9  22 o 122.5118 1.334681  150.4411       3.266276  155.3088       4.763729  146.1223       4.487097  3.720482       2.669362  
1 1 1 -26 9  23 o 110.7641 1.707056  123.4124       3.779531  120.8719       5.240815  126.1655       5.455791  -2.359879      3.414113  
1 1 1 -26 9  24 o 110.3614 1.218165  122.1590       2.687684  124.3043       3.867678  120.1555       3.737577  1.866478       2.436330  
1 1 1 -26 9  25 o 79.28639 0.9257513 62.85056       1.465601  60.62828       2.004448  65.40343       2.148376  -2.999977      1.851503  
1 1 1 -26 9  26 o 38.60260 0.6396233 14.85797       0.4926949 15.79333       0.7274708 14.06536       0.6696647 2.234879       1.279247  
1 1 1 -26 9  27 o 57.32245 0.7471511 32.89231       0.8563441 33.52014       1.228479  32.29888       1.194349  1.062897       1.494302  
1 1 1 -26 9  28 o 22.27206 0.6744211 4.965935       0.3001408 4.682828       0.4208677 5.258927       0.4281524 -1.292841      1.348842  
1 1 1 -26 9  29 o 9.299955 1.269725  0.8941415      0.2300111 1.415551       0.3392889 0.4507333      0.3128830 5.160260       2.539449  
1 1 1 -26 9  30 o 14.14346 0.8859277 2.000094       0.2475272 2.455007       0.3619529 1.600433       0.3392607 3.019007       1.771855  
1 1 1 -26 9  31 o 32.26154 0.6459110 10.41872       0.4166302 10.51471       0.5978674 10.32811       0.5809066 0.2880173      1.291822  
1 1 1 -26 9  32 f 50.13720 0.7125738 25.17544       0.7144967 24.88026       1.005213  25.47685       1.015772  -0.5941200     1.425148  
1 1 1 -26 9  33 o 20.75412 0.7409952 4.314676       0.3073458 4.327182       0.4435775 4.303128       0.4262456 0.5644798E-01  1.481990  
1 1 1 -26 9  34 f 61.84764 0.7970894 38.26212       0.9848600 36.82283       1.354179  39.87818       1.434932  -2.462193      1.594179  
1 1 1 -26 9  35 o 28.64397 0.6786734 8.225753       0.3884447 7.903305       0.5530164 8.539775       0.5457433 -1.111635      1.357347  
1 1 1 -26 9  36 f 64.10410 0.8199161 41.19732       1.051185  40.89298       1.484171  41.50366       1.489041  -0.4757881     1.639832  
1 1 1 -26 9  37 o 21.17987 0.7733837 4.524051       0.3253643 3.983936       0.4656659 5.039245       0.4547957 -2.492437      1.546767  
1 1 1 -26 9  38 o 16.38490 0.9044812 2.692154       0.2953191 3.011927       0.4246022 2.392515       0.4110176 1.888474       1.808962  
1 1 1 -26 9  39 f 44.51118 0.9831374 20.06006       0.8505981 19.14720       1.358241  20.64907       1.091039  -1.724976      1.966275  
1 1 1 -26 9  40 o 17.73436 0.8750540 3.144161       0.3096564 3.313627       0.4572455 3.000596       0.4208550 0.8778381      1.750108  
1 1 1 -26 9  41 o 35.33092 0.7057509 12.33410       0.4949271 10.59420       0.6589173 14.58648       0.7497035 -5.639641      1.411502  
1 1 1 -26 9  42 o 27.67235 0.7393289 7.686994       0.4086066 7.254201       0.5798721 8.113822       0.5758626 -1.553722      1.478658  
1 1 1 -26 9  43 o 17.92857 0.9211137 3.227921       0.3301184 3.228244       0.4744485 3.227618       0.4596203 -0.6599426E-03 1.842227  
1 1 1 -26 9  44 o 10.80428 1.412555  1.216326       0.2938939 1.203625       0.4252732 1.227936       0.4066119 -0.1267986     2.825110  
1 1 1 -26 9  45 o 30.11243 0.7439084 9.058167       0.4471295 9.756626       0.6568376 8.455000       0.6103876 2.154806       1.487817  
1 1 1 -26 9  46 o 33.00044 0.7438117 10.91675       0.4905132 11.09545       0.7106147 10.75412       0.6779205 0.5123291      1.487623  
1 1 1 -26 9  47 o 9.915158 1.564491  1.038201       0.3128869 0.6809453      0.4495585 1.373836       0.4357426 -3.493822      3.128982  
1 1 1 -26 9  48 o 35.47676 0.8056012 12.43554       0.5622509 13.72639       0.8951566 11.59448       0.7225669 2.973545       1.611202  
1 1 1 -26 9  49 o 11.37308 1.754965  1.371391       0.3876908 1.299366       0.5635377 1.436110       0.5341937 -0.6111221     3.509929  
1 1 1 -26 9  50 o 23.86898 1.109269  5.736309       0.5289539 6.130856       0.7617837 5.368978       0.7350405 1.589027       2.218538  
1 1 1 -26 9  51 o 35.53976 1.022645  12.72364       0.7268364 12.50754       1.022735  12.94417       1.033148  -0.6115952     2.045290  
1 1 1 -26 9  52 o 26.22018 1.136945  6.931037       0.5957950 7.068971       0.8620376 6.804890       0.8243858 0.4931412      2.273890  
1 1 1 -26 9  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 10 1  o 42.87320 1.001857  18.35354       0.8570521 20.18378       1.252872  16.74378       1.174984  4.005470       2.003715  
1 1 1 -26 10 2  o 30.78731 1.003905  9.508269       0.6172165 10.13060       0.8742058 8.889711       0.8715521 2.015047       2.007809  
1 1 1 -26 10 3  o 40.90135 0.9791733 16.76469       0.8009402 16.81599       1.127421  16.71241       1.138055  0.1274261      1.958347  
1 1 1 -26 10 4  o 14.11975 1.529786  2.069204       0.4129916 2.305134       0.5557076 1.778130       0.6172439 2.072081       3.059572  
1 1 1 -26 10 5  o 12.95912 1.679211  1.728082       0.4178160 1.126190       0.5707127 2.423268       0.6133506 -5.153172      3.358423  
1 1 1 -26 10 6  o 23.53223 1.065451  5.521412       0.5000859 5.042408       0.6808172 6.082694       0.7369725 -2.206066      2.130902  
1 1 1 -26 10 7  o 40.62621 0.9808134 16.51817       0.7963819 17.39143       1.146290  15.70339       1.107233  2.074818       1.961627  
1 1 1 -26 10 8  o 34.59077 0.9811699 11.96751       0.6778266 12.90400       0.9791970 11.10590       0.9392344 2.596363       1.962340  
1 1 1 -26 10 9  o 100.8645 1.114722  101.8799       2.246934  104.5698       3.257055  99.43721       3.103772  2.532303       2.229443  
1 1 1 -26 10 10 f 24.36936 0.5458545 5.840891       0.2636726 6.994635       0.4027478 4.975444       0.3488183 4.140829       1.091709  
1 1 1 -26 10 11 f 78.23354 0.9023396 61.23960       1.410783  62.87253       2.044235  59.75460       1.949436  1.986710       1.804679  
1 1 1 -26 10 12 o 75.89836 0.8813729 57.69320       1.337881  57.95377       1.897262  57.43548       1.886881  0.3407898      1.762746  
1 1 1 -26 10 13 o 56.19525 0.7185404 31.60306       0.8074545 31.11516       1.130270  32.11160       1.153923  -0.8853989     1.437081  
1 1 1 -26 10 14 o 51.77134 0.8058580 26.54393       0.7952937 27.79708       1.361468  25.89483       0.9798483 1.815693       1.611716  
1 1 1 -26 10 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 10 16 o 16.59286 0.7544633 2.748182       0.2460065 3.499962       0.3617520 2.101413       0.3355367 4.212914       1.508927  
1 1 1 -26 10 17 o 45.94681 0.8517529 21.02909       0.7799512 22.47208       1.164190  19.85400       1.050574  2.841953       1.703506  
1 1 1 -26 10 18 o 19.03604 0.6888189 3.709001       0.2562387 4.193717       0.3436323 3.101930       0.3845651 2.869762       1.377638  
1 1 1 -26 10 19 o 72.59673 0.8603562 52.60156       1.246125  55.37935       1.842416  50.25945       1.691778  3.516220       1.720712  
1 1 1 -26 10 20 o 19.68206 0.7141442 3.919344       0.2780889 4.414374       0.3845722 3.376811       0.4026011 2.636827       1.428288  
1 1 1 -26 10 21 o 69.76563 1.143595  48.81320       1.595540  48.32027       2.238842  49.32194       2.274449  -0.7145538     2.287190  
1 1 1 -26 10 22 o 27.09885 0.6141459 7.335546       0.3324155 7.624200       0.4855327 7.080869       0.4560631 1.000986       1.228292  
1 1 1 -26 10 23 o 91.00497 1.031111  83.02123       1.876527  82.34505       2.630960  83.72143       2.677264  -0.7521362     2.062222  
1 1 1 -26 10 24 f 60.82658 0.7710255 37.00616       0.9372541 35.88118       1.294731  38.24472       1.358523  -1.938526      1.542051  
1 1 1 -26 10 25 o 82.20230 0.9519517 67.71555       1.564767  68.50449       2.238804  66.96207       2.187904  0.9337540      1.903903  
1 1 1 -26 10 26 o 72.61340 0.8697841 52.82149       1.262923  52.12321       1.765355  53.55349       1.807477  -0.9813156     1.739568  
1 1 1 -26 10 27 o 27.18217 0.6380863 7.397028       0.3464258 6.893802       0.4855999 7.918571       0.4943577 -1.884436      1.276173  
1 1 1 -26 10 28 f 68.47482 0.8361772 46.93940       1.144418  48.21748       1.654779  45.76768       1.584415  1.782707       1.672354  
1 1 1 -26 10 29 f 46.17408 0.6874301 21.30630       0.6341696 20.27731       0.8738278 22.45137       0.9217961 -2.350719      1.374860  
1 1 1 -26 10 30 o 15.06132 0.8608372 2.258075       0.2561346 2.797132       0.3788251 1.804118       0.3476390 3.293685       1.721674  
1 1 1 -26 10 31 o 23.90144 0.6777493 5.680267       0.3227700 6.371142       0.4791201 5.106186       0.4367481 2.642941       1.355499  
1 1 1 -26 10 32 o 16.33099 0.8215759 2.678961       0.2677400 2.538592       0.3846420 2.810900       0.3729134 -0.8348532     1.643152  
1 1 1 -26 10 33 o 41.79569 0.6737329 17.42164       0.5616414 18.49063       0.8327934 16.52981       0.7606605 2.339722       1.347466  
1 1 1 -26 10 34 o 36.30237 0.6623790 13.19398       0.4803960 12.36211       0.6717522 14.06476       0.6872788 -2.343769      1.324758  
1 1 1 -26 10 35 o 39.67845 0.6780303 15.73312       0.5372058 14.56205       0.7412608 17.02859       0.7796386 -3.104679      1.356061  
1 1 1 -26 10 36 o 25.49035 0.7042829 6.474983       0.3555032 5.295835       0.4846014 7.849031       0.5231202 -5.004494      1.408566  
1 1 1 -26 10 37 o 8.801388 1.389655  0.7943443      0.2541147 1.243707       0.3680153 0.3848488      0.3513113 4.641187       2.779309  
1 1 1 -26 10 38 o 41.71638 0.6935064 17.38112       0.5776138 18.42788       0.8476484 16.47370       0.7892168 2.336308       1.387013  
1 1 1 -26 10 39 o 21.67286 0.7947092 4.704962       0.3440659 4.799081       0.5008355 4.620844       0.4734813 0.4079819      1.589418  
1 1 1 -26 10 40 o 25.51965 0.7360737 6.511232       0.3749680 6.794836       0.5513581 6.267191       0.5114569 1.029146       1.472147  
1 1 1 -26 10 41 o 15.20613 1.009947  2.317183       0.3066254 2.511894       0.4461163 2.142837       0.4221436 1.209361       2.019893  
1 1 1 -26 10 42 o 32.89632 0.7164817 10.84742       0.4712746 10.93224       0.6751394 10.76682       0.6581513 0.2492867      1.432963  
1 1 1 -26 10 43 o 38.05312 0.7187046 14.51755       0.5469262 14.54288       0.7792107 14.49295       0.7678552 0.6415558E-01  1.437409  
1 1 1 -26 10 44 o 35.06769 0.7332193 12.30535       0.5134847 12.80691       0.7515048 11.86614       0.7032487 1.334812       1.466439  
1 1 1 -26 10 45 o 25.62132 0.7912538 6.597432       0.4048221 6.254586       0.5774390 6.928803       0.5676950 -1.317253      1.582508  
1 1 1 -26 10 46 o 29.44263 0.7709911 8.662616       0.4530495 9.415778       0.6646214 8.008874       0.6192042 2.382158       1.541982  
1 1 1 -26 10 47 o 42.03272 0.7586547 17.70415       0.6370265 18.27531       0.9283397 17.19588       0.8757423 1.275166       1.517309  
1 1 1 -26 10 48 o 30.38172 0.9486581 9.303885       0.5723948 9.089212       0.8564124 9.477205       0.7695187 -0.6566429     1.897316  
1 1 1 -26 10 49 o 25.34208 1.074883  6.404452       0.5390167 7.865509       0.8038020 5.210574       0.7266005 5.219240       2.149765  
1 1 1 -26 10 50 o 17.51693 1.310012  3.104068       0.4586334 3.136875       0.6624114 3.073861       0.6356285 0.1711826      2.620025  
1 1 1 -26 10 51 o 27.53726 1.051046  7.581160       0.5759985 8.718090       0.8547096 6.635204       0.7796279 3.762547       2.102093  
1 1 1 -26 10 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 11 1  o 59.32940 1.130780  35.27989       1.340774  34.57009       1.853961  36.05818       1.941337  -1.245522      2.261560  
1 1 1 -26 11 2  o 40.33199 1.011548  16.18199       0.8122398 18.48661       1.205056  14.26328       1.099542  5.226654       2.023096  
1 1 1 -26 11 3  o 30.84694 1.039231  9.519059       0.6390904 9.296410       0.8654738 9.786047       0.9477388 -0.7865086     2.078463  
1 1 1 -26 11 4  o 36.84445 1.007904  13.61113       0.7425002 13.84942       1.044073  13.36729       1.056138  0.6552773      2.015807  
1 1 1 -26 11 5  f 32.68621 1.024610  10.70632       0.6687965 11.52738       0.9568227 9.921962       0.9351905 2.454008       2.049220  
1 1 1 -26 11 6  o 46.51727 1.027388  21.58232       0.9529107 20.35870       1.287555  23.06426       1.416959  -2.897472      2.054776  
1 1 1 -26 11 7  o 36.37644 1.000788  13.23534       0.7271792 12.75146       0.9981123 13.78274       1.061594  -1.412491      2.001577  
1 1 1 -26 11 8  o 78.63609 1.339374  62.05617       2.105980  63.24878       3.018069  60.92441       2.940073  1.469780       2.678748  
1 1 1 -26 11 9  o 76.90236 1.322805  59.26588       2.032450  61.54581       2.957453  57.22543       2.797822  2.792679       2.645610  
1 1 1 -26 11 10 o 94.82275 1.320516  90.99042       2.368335  92.58129       2.923584  87.95359       4.039316  2.551437       2.641031  
1 1 1 -26 11 11 o 84.28609 1.169371  69.24363       1.813628  76.36058       3.363255  66.32555       2.153576  5.845627       2.338743  
1 1 1 -26 11 12 f 46.52979 0.8325405 21.60623       0.7728862 22.75374       1.142441  20.63780       1.049515  2.267803       1.665081  
1 1 1 -26 11 13 o 42.13226 0.7881833 17.64946       0.6611668 19.08821       0.9943980 16.50943       0.8851674 3.053665       1.576367  
1 1 1 -26 11 14 o 49.44233 0.8189237 24.50048       0.8035034 24.63538       1.073200  24.32842       1.212084  0.3192902      1.637847  
1 1 1 -26 11 15 o 10.15728 0.9047607 1.043747       0.1819721 0.9284989      0.2665911 1.144289       0.2490029 -1.063494      1.809521  
1 1 1 -26 11 16 o 16.48081 1.480581  2.731523       0.4869084 2.500934       0.6840194 2.968382       0.6932586 -1.417063      2.961161  
1 1 1 -26 11 17 o 73.30593 1.180816  53.88153       1.730490  54.85598       2.491165  52.97284       2.405641  1.276199       2.361633  
1 1 1 -26 11 18 o 37.89816 0.6106523 14.37213       0.4627808 14.72993       0.6594025 14.02484       0.6496482 0.9297523      1.221305  
1 1 1 -26 11 19 o 25.74712 0.5893555 6.624166       0.3032278 6.284123       0.4199476 6.994578       0.4382986 -1.378771      1.178711  
1 1 1 -26 11 20 o 81.13835 0.9387059 65.95619       1.522950  65.19058       2.126626  66.76218       2.181994  -0.9640427     1.877412  
1 1 1 -26 11 21 o 27.30004 0.6178820 7.426162       0.3363759 8.269271       0.4930809 6.692230       0.4600496 2.886574       1.235764  
1 1 1 -26 11 22 o 71.22832 0.8536111 50.82489       1.215969  50.47576       1.709607  51.18232       1.729851  -0.4944382     1.707222  
1 1 1 -26 11 23 o 33.93105 0.6210625 11.52314       0.4213799 11.60475       0.6029168 11.44521       0.5891635 0.2342987      1.242125  
1 1 1 -26 11 24 o 104.5192 1.161263  109.6470       2.427474  109.8345       3.438854  109.4608       3.427111  0.1774673      2.322525  
1 1 1 -26 11 25 o 10.90302 0.9826742 1.194643       0.2137417 1.281430       0.3005883 1.105878       0.3039934 0.8054037      1.965348  
1 1 1 -26 11 26 o 27.10546 0.6357698 7.281786       0.3428622 8.333159       0.5140671 6.439354       0.4601598 3.489841       1.271540  
1 1 1 -26 11 27 o 9.754311 1.130266  0.9705088      0.2152363 1.047005       0.3050074 0.8946282      0.3037766 0.9222193      2.260532  
1 1 1 -26 11 28 o 85.39171 0.9871579 73.13289       1.685895  73.09782       2.380482  73.16817       2.387966  -0.4039764E-01 1.974316  
1 1 1 -26 11 29 o 45.53072 0.6843270 20.74906       0.6229762 20.22489       0.8686615 21.30416       0.8939244 -1.183285      1.368654  
1 1 1 -26 11 30 o 90.79796 1.037913  82.67638       1.883827  81.05711       2.613600  84.42723       2.717716  -1.843330      2.075827  
1 1 1 -26 11 31 f 61.21879 0.7884238 37.55643       0.9653230 37.70151       1.367145  37.41219       1.363210  0.2359314      1.576848  
1 1 1 -26 11 32 o 31.40340 0.6602696 9.892362       0.4139972 9.321781       0.5893412 10.44823       0.5816947 -1.794151      1.320539  
1 1 1 -26 11 33 o 28.82330 0.6570520 8.323656       0.3784677 8.252945       0.5449262 8.389550       0.5260416 -0.2385941     1.314104  
1 1 1 -26 11 34 o 37.01409 0.6639267 13.68075       0.4902799 12.40072       0.6746696 15.11316       0.7136962 -3.660572      1.327853  
1 1 1 -26 11 35 o 21.00433 0.7440097 4.423595       0.3103179 3.752409       0.4311887 5.144737       0.4469470 -3.312794      1.488019  
1 1 1 -26 11 36 o 30.01799 0.6744815 9.031461       0.4045563 8.918866       0.5827519 9.136206       0.5620666 -0.3639889     1.348963  
1 1 1 -26 11 37 o 17.78447 0.8228620 3.171676       0.2925693 3.173312       0.4196971 3.170129       0.4080594 0.7553101E-02  1.645724  
1 1 1 -26 11 38 o 21.33360 0.7674864 4.569016       0.3264460 4.132164       0.4595504 5.014000       0.4638079 -2.066294      1.534973  
1 1 1 -26 11 39 o 15.11139 1.001328  2.274413       0.2967940 2.959561       0.4421278 1.712422       0.4004243 4.119941       2.002656  
1 1 1 -26 11 40 o 33.61070 0.7048101 11.30688       0.4733587 11.72776       0.6874788 10.92747       0.6527325 1.186321       1.409620  
1 1 1 -26 11 41 o 26.69795 0.7454464 7.128503       0.3975044 7.599277       0.5793133 6.709644       0.5464383 1.661789       1.490893  
1 1 1 -26 11 42 o 45.51075 0.7322142 20.74554       0.6659808 21.33067       0.9646779 20.21273       0.9205491 1.222488       1.464428  
1 1 1 -26 11 43 o 20.94404 0.8551603 4.400082       0.3579507 4.482001       0.5179484 4.325185       0.4952517 0.3707924      1.710321  
1 1 1 -26 11 44 o 17.73806 0.9452025 3.130574       0.3331828 3.672968       0.4973992 2.689126       0.4487331 2.764254       1.890405  
1 1 1 -26 11 45 o 31.35975 0.7545261 9.850877       0.4726256 10.15309       0.6897001 9.583325       0.6489470 0.9022579      1.509052  
1 1 1 -26 11 46 o 51.10095 0.9110359 26.43344       0.8979174 25.52901       1.466609  26.97572       1.135639  -1.481091      1.822072  
1 1 1 -26 11 47 o 17.51099 1.195006  3.083488       0.4174887 3.234030       0.6171262 2.956452       0.5669025 0.7793427      2.390012  
1 1 1 -26 11 48 f 27.28263 1.017574  7.484459       0.5546228 7.666127       0.8071680 7.321971       0.7633733 0.6205769      2.035147  
1 1 1 -26 11 49 o 25.95740 1.041511  6.769535       0.5398661 7.126997       0.7907497 6.457446       0.7388609 1.276583       2.083022  
1 1 1 -26 11 50 o 17.79443 1.285847  3.165920       0.4535600 3.827252       0.6794947 2.634479       0.6091214 3.329048       2.571695  
1 1 1 -26 11 51 o 6.614705 3.007587  0.000000       0.000000  ?              ?         -0.4869204     0.8711456 ?              ?         
1 1 1 -26 12 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 12 2  o 39.53621 1.397870  16.06109       0.9977811 16.55780       1.190025  14.88534       1.830882  2.195618       2.795740  
1 1 1 -26 12 3  o 12.64038 1.884413  1.674667       0.4616819 1.811455       0.6502138 1.535580       0.6556537 1.090284       3.768826  
1 1 1 -26 12 4  o 64.42467 1.190144  41.58487       1.532189  43.38809       2.222844  39.95258       2.114870  2.654926       2.380287  
1 1 1 -26 12 5  o 38.89906 1.026067  15.15657       0.7977886 14.77861       1.105250  15.56769       1.152735  -1.010021      2.052134  
1 1 1 -26 12 6  o 30.58495 1.048500  9.164509       0.6339688 7.774217       0.8279395 11.13505       0.9856855 -5.480055      2.097001  
1 1 1 -26 12 7  o 25.41213 1.126431  6.459665       0.5716226 6.157813       0.7823955 6.805265       0.8371747 -1.268654      2.252862  
1 1 1 -26 12 8  o 27.20107 1.669202  0.000000       0.000000  ?              ?         7.423627       0.9080817 ?              ?         
1 1 1 -26 12 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 12 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 12 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 12 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 12 13 o 44.43604 1.035706  19.79983       0.9202630 20.19171       1.298418  19.40428       1.304501  0.8865585      2.071412  
1 1 1 -26 12 14 o 63.75482 1.000182  40.67378       1.173486  40.92376       2.130168  40.56487       1.406082  0.2213974      2.000364  
1 1 1 -26 12 15 o 42.14297 0.6281977 17.75076       0.5290535 18.45060       0.7672300 17.11632       0.7305093 1.581081       1.256395  
1 1 1 -26 12 16 o 68.36895 0.8243708 46.77473       1.126473  48.02665       1.629804  45.62962       1.558719  1.747971       1.648742  
1 1 1 -26 12 17 o 40.90452 1.040170  16.76930       0.8507378 17.29213       1.216333  16.26858       1.190338  1.248787       2.080340  
1 1 1 -26 12 18 o 68.50761 0.8295857 46.78144       1.132838  49.78172       1.688554  44.32572       1.527652  3.970177       1.659171  
1 1 1 -26 12 19 f 28.11739 0.6026626 7.885145       0.3378818 7.069090       0.4641634 8.804977       0.4927949 -3.085293      1.205325  
1 1 1 -26 12 20 o 36.76804 0.6244678 13.28599       0.4548857 15.52799       0.7034631 11.67483       0.5963389 5.233570       1.248936  
1 1 1 -26 12 21 o 69.93683 0.8444964 48.92892       1.179937  47.41928       1.623119  50.62085       1.718315  -2.281120      1.688993  
1 1 1 -26 12 22 o 21.58917 0.6808170 4.699455       0.2906171 3.873721       0.4099086 5.533998       0.4120894 -3.845015      1.361634  
1 1 1 -26 12 23 o 74.25938 0.8847540 55.26941       1.314013  55.09408       1.853387  55.44660       1.863243  -0.2364578     1.769508  
1 1 1 -26 12 24 o 24.64849 0.6626012 6.108024       0.3253055 5.674823       0.4701128 6.506027       0.4506098 -1.687458      1.325202  
1 1 1 -26 12 25 o 30.10739 0.7137790 8.893414       0.4124719 9.724074       0.7017462 8.454951       0.5098406 2.093279       1.427558  
1 1 1 -26 12 26 o 9.029583 1.210806  0.8487554      0.2118775 1.050836       0.2973207 0.6402435      0.3020145 2.410111       2.421611  
1 1 1 -26 12 27 f 63.72493 0.8028926 40.61808       1.022128  39.21935       1.405222  42.18956       1.489469  -2.322983      1.605785  
1 1 1 -26 12 28 o 71.80019 0.8696347 51.65084       1.248267  50.74916       1.734999  52.61843       1.797281  -1.295479      1.739269  
1 1 1 -26 12 29 o 53.73331 0.7326679 28.90633       0.7870858 28.24363       1.095152  29.61436       1.131976  -1.272274      1.465336  
1 1 1 -26 12 30 o 61.53198 0.7912625 37.94359       0.9737183 37.81708       1.369873  38.07278       1.384332  -0.2063637     1.582525  
1 1 1 -26 12 31 o 20.60415 0.7259948 4.216238       0.2963244 5.122200       0.4401534 3.465241       0.4007453 4.017275       1.451990  
1 1 1 -26 12 32 o 63.76303 0.8092857 40.75763       1.032049  40.69356       1.458946  40.82181       1.460131  -0.1004410     1.618571  
1 1 1 -26 12 33 o 8.004542 1.418697  0.6720929      0.2309285 0.8610615      0.3261792 0.4821874      0.3269868 2.161016       2.837395  
1 1 1 -26 12 34 f 41.61029 0.6777052 17.31632       0.5634620 16.35918       0.7801557 18.36004       0.8146759 -2.401054      1.355410  
1 1 1 -26 12 35 o 30.11910 0.6780545 9.085350       0.4078642 8.436747       0.5702715 9.764563       0.5835728 -2.202978      1.356109  
1 1 1 -26 12 36 f 21.97340 0.7587091 4.871347       0.3308119 4.215715       0.4715546 5.506712       0.4642092 -2.938444      1.517418  
1 1 1 -26 12 37 o 9.633544 1.354524  0.9568239      0.2557893 1.157624       0.3662551 0.7656279      0.3573892 2.185144       2.709049  
1 1 1 -26 12 38 o 13.61733 1.044674  1.847256       0.2827968 2.159076       0.4204960 1.589751       0.3821225 2.083970       2.089349  
1 1 1 -26 12 39 o 42.30814 0.7183032 17.93315       0.6073344 18.23265       0.8791236 17.65972       0.8400120 0.6722298      1.436606  
1 1 1 -26 12 40 f 42.17809 0.7152498 17.77881       0.6023562 16.54551       0.8268654 19.17340       0.8792681 -3.108631      1.430500  
1 1 1 -26 12 41 o 44.89687 0.7358192 20.19135       0.6600772 20.65818       0.9588521 19.77084       0.9100398 0.9818268      1.471638  
1 1 1 -26 12 42 o 27.74851 0.7644247 7.737083       0.4228223 6.986252       0.5961527 8.497095       0.5997860 -2.721874      1.528849  
1 1 1 -26 12 43 o 42.29707 0.8313285 17.78057       0.6805611 18.65721       1.125123  17.27477       0.8546337 1.590286       1.662657  
1 1 1 -26 12 44 o 41.18842 0.8103063 17.10791       0.6581459 16.52588       1.009982  17.53748       0.8676627 -1.251034      1.620613  
1 1 1 -26 12 45 o 29.40232 0.9367185 8.818405       0.5172330 8.315221       0.8885555 9.076291       0.6361142 -1.344954      1.873437  
1 1 1 -26 12 46 f 8.634941 2.039017  0.7259426      0.4082788 0.7032625      0.6492474 0.7407783      0.5250990 0.1304817      4.078033  
1 1 1 -26 12 47 o 15.88211 1.600165  2.400549       0.4668823 4.010452       0.7764698 1.488880       0.5843100 8.046135       3.200331  
1 1 1 -26 12 48 o 17.39848 1.450469  3.002318       0.4943911 3.402683       0.8007791 2.755714       0.6284693 1.799116       2.900938  
1 1 1 -26 12 49 o 56.63774 1.121563  32.36422       1.268912  32.38543       1.840531  32.34501       1.751782  0.1066971E-01  2.243127  
1 1 1 -26 12 50 o 32.60934 1.392441  10.40734       0.7945800 11.55164       1.600478  10.03304       0.9153543 2.098917       2.784882  
1 1 1 -26 13 1  o 17.13060 1.492823  2.953580       0.5114310 2.924497       0.7187152 2.983413       0.7279182 -0.1705265     2.985647  
1 1 1 -26 13 2  o 25.22031 1.187683  6.424449       0.5953861 7.066851       0.8292489 5.740947       0.8553645 2.631830       2.375366  
1 1 1 -26 13 3  o 80.93414 1.384202  65.84515       2.240255  67.18331       3.199951  64.55881       3.137374  1.612572       2.768404  
1 1 1 -26 13 4  f 58.89760 1.147475  34.76322       1.349849  33.82543       1.852363  35.82511       1.971117  -1.684006      2.294950  
1 1 1 -26 13 5  o 43.51384 1.062466  18.84318       0.9207115 21.33894       1.369447  16.78449       1.243772  5.220322       2.124933  
1 1 1 -26 13 6  f 57.85704 2.475363  0.000000       0.000000  ?              ?         33.75213       2.864344  ?              ?         
1 1 1 -26 13 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 13 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 13 9  o 45.65067 1.471952  20.89883       1.343912  20.89883       1.343912  ?              ?         ?              ?         
1 1 1 -26 13 10 o 44.61597 1.057868  19.96817       0.9437382 20.25341       1.326951  19.67622       1.342479  0.6483574      2.115737  
1 1 1 -26 13 11 o 55.05576 1.114102  30.27610       1.222437  28.92213       1.647754  31.93353       1.823087  -2.716923      2.228204  
1 1 1 -26 13 12 o 48.15110 1.072516  22.91844       1.024136  20.75147       1.345714  25.90080       1.578725  -5.324043      2.145032  
1 1 1 -26 13 13 o 30.66891 0.5566139 9.408415       0.3412546 9.569031       0.4916776 9.259129       0.4740203 0.5043297      1.113228  
1 1 1 -26 13 14 o 31.51096 0.5730902 9.939885       0.3610876 9.831730       0.5145094 10.04486       0.5068858 -0.3385906     1.146180  
1 1 1 -26 13 15 o 48.28950 0.8886501 23.48819       0.7760614 23.65216       0.9204943 23.08519       1.443112  0.6297646      1.777300  
1 1 1 -26 13 16 f 9.888466 1.569653  1.259427       0.3128789 1.654399       0.3673885 0.2167130      0.5969325 5.912118       3.139305  
1 1 1 -26 13 17 f 16.98623 1.405590  2.876499       0.4754327 3.249604       0.7094387 2.572332       0.6405527 1.984119       2.811180  
1 1 1 -26 13 18 o 36.60158 1.033079  13.41982       0.7557388 12.94378       1.045946  13.93982       1.093170  -1.355770      2.066158  
1 1 1 -26 13 19 o 83.64139 1.419712  70.13302       2.368484  67.39932       3.210658  73.39680       3.508162  -3.542137      2.839424  
1 1 1 -26 13 20 f 62.79384 1.003396  39.97920       1.177958  38.31245       2.051039  40.79958       1.438941  -2.042675      2.006792  
1 1 1 -26 13 21 o 48.33269 0.7521628 23.45500       0.7173229 23.05226       1.103931  23.74932       0.9437042 -0.7336388     1.504326  
1 1 1 -26 13 22 o 13.01196 0.9235224 1.690644       0.2382810 1.747622       0.3640518 1.647940       0.3151696 0.3782940      1.847045  
1 1 1 -26 13 23 o 28.53708 0.6450161 8.153213       0.3666198 7.195240       0.5106466 9.172295       0.5266824 -3.462912      1.290032  
1 1 1 -26 13 24 o 19.90119 0.7215563 3.974851       0.2853882 3.892982       0.4258821 4.041578       0.3844849 -0.3765869     1.443113  
1 1 1 -26 13 25 o 48.97545 0.7000244 23.80505       0.6818075 26.07177       1.033582  22.05886       0.9071791 4.086899       1.400049  
1 1 1 -26 13 26 o 33.81583 0.6470770 11.45547       0.4368345 10.57914       0.6134610 12.35690       0.6221861 -2.627941      1.294154  
1 1 1 -26 13 27 o 14.33745 0.9363524 2.114601       0.2616626 1.706309       0.3895054 2.450403       0.3532403 -2.598904      1.872705  
1 1 1 -26 13 28 o 56.57566 0.7560445 31.80014       0.8514402 29.30757       1.138671  34.96132       1.282326  -4.983181      1.512089  
1 1 1 -26 13 29 o 39.49761 0.6681550 15.61872       0.5273883 14.76457       0.7377201 16.51154       0.7542333 -2.210068      1.336310  
1 1 1 -26 13 30 o 33.53389 0.6635466 11.15551       0.4427551 12.40302       0.6682703 10.17946       0.5911066 3.308601       1.327093  
1 1 1 -26 13 31 o 26.35907 0.6956745 6.988560       0.3652839 6.459641       0.5261426 7.480735       0.5075384 -1.938637      1.391349  
1 1 1 -26 13 32 o 40.71531 0.6830689 16.50012       0.5538074 17.73257       0.8318451 15.51899       0.7422022 2.709988       1.366138  
1 1 1 -26 13 33 o 71.78480 0.8846439 51.66071       1.269665  50.47157       1.768275  52.92623       1.824185  -1.702759      1.769288  
1 1 1 -26 13 34 o 33.15218 0.6881998 11.02310       0.4549258 9.956909       0.6388001 12.12030       0.6480235 -3.261898      1.376400  
1 1 1 -26 13 35 o 29.14706 0.7139646 8.558409       0.4139335 7.904481       0.6019561 9.144998       0.5701210 -2.131359      1.427929  
1 1 1 -26 13 36 o 40.90088 0.7064217 16.74387       0.5768269 15.38251       0.8014013 18.20734       0.8309118 -3.450054      1.412843  
1 1 1 -26 13 37 o 33.03998 0.7065780 10.94696       0.4655483 10.87607       0.6838155 11.00821       0.6355954 -0.2056274     1.413156  
1 1 1 -26 13 38 o 11.92257 1.349330  1.511442       0.3013227 1.199103       0.4628973 1.741109       0.3969362 -2.471112      2.698660  
1 1 1 -26 13 39 o 44.23447 0.7365985 19.64071       0.6506412 18.38523       0.9204875 20.89431       0.9198041 -2.836201      1.473197  
1 1 1 -26 13 40 o 29.13512 0.7691563 8.584149       0.4439224 7.871487       0.6575123 9.181127       0.6017848 -2.255117      1.538313  
1 1 1 -26 13 41 o 16.53190 1.087211  2.883774       0.3422342 2.106615       0.5200540 3.477416       0.4545226 -4.158672      2.174422  
1 1 1 -26 13 42 o 23.24308 0.8871894 5.392860       0.4019828 5.573202       0.6500369 5.281189       0.5115174 0.6040154      1.774379  
1 1 1 -26 13 43 o 38.39240 0.8863678 15.12168       0.6489908 13.69494       1.067535  15.95810       0.8173816 -2.991158      1.772736  
1 1 1 -26 13 44 o 8.338992 1.960761  0.6912251      0.3790830 0.4597205      0.6631978 0.8035693      0.4619960 -0.8596721     3.921523  
1 1 1 -26 13 45 o 35.64059 0.9870033 12.81929       0.7008065 12.22968       1.022550  13.34154       0.9623657 -1.572899      1.974007  
1 1 1 -26 13 46 o 4.863074 1.601146  -0.5696056     0.3956287 -1.224167      0.6524191 -0.1889202     0.4975475 -0.7651234     3.202291  
1 1 1 -26 13 47 o 35.71936 1.025525  12.84296       0.7263108 12.90238       1.102825  12.79745       0.9651957 0.1130562      2.051051  
1 1 1 -26 13 48 o 23.82242 1.183406  5.645890       0.5520614 6.143450       0.8900594 5.334787       0.7037987 1.641811       2.366812  
1 1 1 -26 13 49 f 20.16853 1.650301  3.734947       0.5872008 5.051099       1.213425  3.332484       0.6710005 4.041138       3.300601  
1 1 1 -26 14 1  o 51.79114 1.108579  26.75918       1.144022  25.06207       1.538830  28.85617       1.710542  -3.641983      2.217158  
1 1 1 -26 14 2  o 69.64978 1.262370  48.72137       1.757692  47.95876       2.442594  49.54037       2.531281  -1.123344      2.524740  
1 1 1 -26 14 3  o 9.644508 3.111027  0.000000       0.000000  ?              ?         0.9192470      0.6817816 ?              ?         
1 1 1 -26 14 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 14 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 14 6  o 69.39746 2.569820  48.63014       3.566779  48.63014       3.566779  ?              ?         ?              ?         
1 1 1 -26 14 7  o 79.65148 1.377793  63.79644       2.194762  64.67110       3.112653  62.93158       3.095144  1.089447       2.755587  
1 1 1 -26 14 8  o 56.63884 1.133674  32.09997       1.281415  30.75096       1.743703  33.68391       1.889448  -2.572014      2.267349  
1 1 1 -26 14 9  o 54.90332 1.124201  30.24541       1.234246  30.88442       1.764052  29.63260       1.727496  1.135765       2.248401  
1 1 1 -26 14 10 o 45.33855 1.068834  20.63065       0.9688897 21.00468       1.362174  20.24765       1.378404  0.8366547      2.137667  
1 1 1 -26 14 11 o 30.93022 1.069127  9.580633       0.6605107 10.29006       0.9554912 8.931351       0.9140899 2.191847       2.138254  
1 1 1 -26 14 12 o 30.56175 1.062968  9.378724       0.6486316 10.04262       0.9200094 8.722576       0.9146215 2.159052       2.125937  
1 1 1 -26 14 13 o 24.41894 1.203965  5.974277       0.5826522 4.937061       0.8009675 7.139979       0.8491292 -4.504717      2.407929  
1 1 1 -26 14 14 o 30.80273 0.5597613 9.489912       0.3447168 9.777380       0.4955270 9.220340       0.4798571 0.9032936      1.119523  
1 1 1 -26 14 15 o 12.18577 0.6995251 1.470567       0.1694479 1.710846       0.2544012 1.278966       0.2271746 1.770083       1.399050  
1 1 1 -26 14 16 o 56.81378 0.7324099 32.29602       0.8316695 33.21966       1.203199  31.45099       1.150862  1.552540       1.464820  
1 1 1 -26 14 17 o 54.27158 0.7215381 29.41872       0.7818187 28.18473       1.067847  30.84440       1.147794  -2.444271      1.443076  
1 1 1 -26 14 18 o 63.19727 0.7912565 39.96830       0.9994552 38.77780       1.383273  41.26863       1.445678  -1.965473      1.582513  
1 1 1 -26 14 19 o 47.20301 0.6789036 22.30354       0.6407911 21.71423       0.8968379 22.91816       0.9158933 -1.273895      1.357807  
1 1 1 -26 14 20 o 66.38747 0.8186027 44.05139       1.085064  42.33158       1.482867  46.03354       1.591959  -2.778503      1.637205  
1 1 1 -26 14 21 o 19.47293 0.6720996 3.773937       0.2608089 4.073632       0.3896373 3.530660       0.3510519 1.391314       1.344199  
1 1 1 -26 14 22 f 52.12502 0.7889427 26.44512       0.7932289 24.48055       0.9828951 30.11457       1.343303  -5.372265      1.577885  
1 1 1 -26 14 23 o 56.99739 0.9724575 32.66225       1.021018  32.78088       1.226316  32.39423       1.843359  0.4070511      1.944915  
1 1 1 -26 14 24 f 42.69128 0.9542128 18.41010       0.7873541 18.80215       0.9988763 17.76684       1.279485  1.243908       1.908426  
1 1 1 -26 14 25 o 33.38389 1.091139  11.16289       0.7272753 10.29473       1.003460  12.12355       1.055562  -2.732170      2.182278  
1 1 1 -26 14 26 o 58.70892 1.174374  34.49504       1.375927  36.87415       2.028631  32.46816       1.872448  3.729397       2.348747  
1 1 1 -26 14 27 o 52.81397 1.129734  27.92768       1.191177  26.37665       1.626844  29.72025       1.748932  -3.147594      2.259468  
1 1 1 -26 14 28 o 60.15259 1.186640  36.33193       1.426670  35.16011       1.974944  37.61080       2.063179  -2.023125      2.373280  
1 1 1 -26 14 29 o 38.75291 1.087286  15.08486       0.8417764 15.10719       1.219870  15.06457       1.163064  0.4662704E-01  2.174572  
1 1 1 -26 14 30 o 45.43161 1.101357  20.73446       1.000625  20.91150       1.427467  20.56343       1.403045  0.3793869      2.202714  
1 1 1 -26 14 31 o 42.20226 0.9826660 17.54104       0.7844912 18.90839       1.373249  16.87864       0.9558055 2.347652       1.965332  
1 1 1 -26 14 32 o 16.40996 1.400043  2.456598       0.4259182 3.433075       0.8083524 2.081325       0.5011219 4.055790       2.800086  
1 1 1 -26 14 33 o 47.74353 1.014530  23.25564       0.9408228 21.22843       1.484803  24.61554       1.216111  -3.586548      2.029059  
1 1 1 -26 14 34 o 30.97831 0.9791052 9.739800       0.5252566 9.426630       1.041259  9.846690       0.6083271 -0.7393951     1.958210  
1 1 1 -26 14 35 f 53.28720 0.9935614 28.99650       0.9732469 27.30019       1.739185  29.76988       1.174336  -2.405235      1.987123  
1 1 1 -26 14 36 o 44.20945 0.9619258 19.80622       0.7632118 19.23596       1.432275  20.03236       0.9019293 -0.9857140     1.923852  
1 1 1 -26 14 37 o 16.73697 1.365278  2.285527       0.3716427 3.852640       0.8998652 1.963261       0.4080704 5.524724       2.730557  
1 1 1 -26 14 38 o 57.23904 1.030572  33.58780       1.093519  31.15891       1.916599  34.76008       1.331512  -3.249382      2.061144  
1 1 1 -26 14 39 o 23.13287 1.303488  5.543254       0.5463403 5.044787       0.9908265 5.761017       0.6548944 -1.624331      2.606976  
1 1 1 -26 14 40 o 33.78198 1.135199  12.06927       0.7160270 9.673824       1.181631  13.45925       0.9001065 -5.661074      2.270399  
1 1 1 -26 14 41 o 11.65037 2.490455  1.501791       0.6523410 0.5818206      1.196009  1.891379       0.7783056 -3.362259      4.980910  
1 1 1 -26 14 42 o 23.64520 3.903235  0.000000       0.000000  ?              ?         5.837044       1.845856  ?              ?         
1 1 1 -26 14 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 14 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 14 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 14 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 14 47 o 23.20949 2.616908  5.517839       1.214742  5.517839       1.214742  ?              ?         ?              ?         
1 1 1 -26 14 48 o 9.232369 3.733417  0.4449148      1.070024  0.4449148      1.070024  ?              ?         ?              ?         
1 1 1 -26 15 1  o 41.30438 1.592701  0.000000       0.000000  ?              ?         17.13381       1.315711  ?              ?         
1 1 1 -26 15 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 15 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 15 4  o 53.10628 1.568474  28.31448       1.665916  28.31448       1.665916  ?              ?         ?              ?         
1 1 1 -26 15 5  o 34.64248 1.103667  11.88490       0.7585686 10.80685       0.9986027 13.35567       1.166391  -3.657936      2.207333  
1 1 1 -26 15 6  o 23.04755 1.245731  5.328921       0.5733548 5.186648       0.7856192 5.491058       0.8386704 -0.6530666     2.491462  
1 1 1 -26 15 7  o 43.46236 1.071376  18.80140       0.9267885 17.42220       1.238425  20.55705       1.397255  -3.587708      2.142752  
1 1 1 -26 15 8  o 18.18802 1.473704  3.334845       0.5341719 2.991935       0.7508103 3.686332       0.7601426 -1.907444      2.947407  
1 1 1 -26 15 9  o 27.49854 1.186617  7.568522       0.6484078 8.840300       0.9462051 6.442542       0.8903186 4.352634       2.373235  
1 1 1 -26 15 10 o 55.92750 1.148946  31.38281       1.283899  30.92696       1.771601  31.88707       1.863282  -0.8469696     2.297892  
1 1 1 -26 15 11 o 17.47921 1.527606  3.098523       0.5295061 3.513071       0.7424548 2.669412       0.7553822 2.415438       3.055212  
1 1 1 -26 15 12 o 77.86200 1.361673  60.97051       2.120386  61.25000       2.991447  60.68829       3.005964  0.3628464      2.723347  
1 1 1 -26 15 13 o 27.14641 1.144025  7.395654       0.6199267 6.786665       0.8654575 8.037374       0.8884106 -2.300789      2.288051  
1 1 1 -26 15 14 o 74.11475 1.319474  55.22312       1.955596  55.10603       2.742316  55.34428       2.789550  -0.1539307     2.638948  
1 1 1 -26 15 15 o 38.70557 0.6095032 14.99809       0.4718162 15.07978       0.6694930 14.91748       0.6650271 0.2093620      1.219006  
1 1 1 -26 15 16 o 32.89204 0.5906202 10.78817       0.3875038 9.762790       0.5312485 11.95403       0.5664722 -3.328657      1.181240  
1 1 1 -26 15 17 o 46.93689 0.6702345 22.04577       0.6288243 22.53331       0.9078156 21.59608       0.8718577 0.9956779      1.340469  
1 1 1 -26 15 18 o 19.25665 0.6529870 3.760868       0.2467630 2.930803       0.3492881 4.587969       0.3486638 -4.302889      1.305974  
1 1 1 -26 15 19 o 36.53461 0.8614691 13.13871       0.5506857 12.88992       0.6363918 13.88028       1.098710  -1.310398      1.722938  
1 1 1 -26 15 20 o 24.79889 0.6166562 6.098101       0.3041967 6.749087       0.4603019 5.593339       0.4053220 2.326241       1.233312  
1 1 1 -26 15 21 o 24.24240 0.6447434 5.911225       0.3096686 4.938547       0.4345683 6.914666       0.4413865 -4.075224      1.289487  
1 1 1 -26 15 22 o 18.15399 0.7114502 3.291026       0.2574830 3.425711       0.3825962 3.179526       0.3481134 0.6750336      1.422900  
1 1 1 -26 15 23 o 50.70286 0.7152646 25.70647       0.7245834 24.67916       0.9977356 26.85293       1.054010  -2.138569      1.430529  
1 1 1 -26 15 24 f 50.01308 0.7123104 25.03065       0.7119811 25.79675       1.031169  24.33268       0.9842548 1.459385       1.424621  
1 1 1 -26 15 25 o 47.38331 0.6986265 22.34535       0.6593373 24.10116       0.9888532 20.93992       0.8847032 3.326202       1.397253  
1 1 1 -26 15 26 o 29.32896 0.6667821 8.613374       0.3885295 7.338411       0.5385928 9.996728       0.5610204 -4.529898      1.333564  
1 1 1 -26 15 27 f 34.58739 0.6606745 11.99934       0.4562214 11.64695       0.6590011 12.32367       0.6322207 -0.9806862     1.321349  
1 1 1 -26 15 28 o 21.68433 0.7669360 4.791255       0.3207404 3.290443       0.4466717 6.388868       0.4608515 -7.142950      1.533872  
1 1 1 -26 15 29 o 32.97038 0.6689162 10.90155       0.4406122 10.50338       0.6297609 11.28335       0.6166845 -1.184071      1.337832  
1 1 1 -26 15 30 o 34.88640 0.6788079 12.20534       0.4729037 11.42239       0.6684157 12.99004       0.6691585 -2.246708      1.357616  
1 1 1 -26 15 31 o 44.90386 0.7044837 20.21022       0.6325135 19.87395       0.8997237 20.53882       0.8893843 -0.7413902     1.408967  
1 1 1 -26 15 32 o 26.55793 0.7234608 7.125329       0.3804052 6.018260       0.5415603 8.203553       0.5344585 -4.114965      1.446922  
1 1 1 -26 15 33 o 30.22841 0.7022645 9.091949       0.4223149 9.779175       0.6383055 8.556921       0.5632065 2.013315       1.404529  
1 1 1 -26 15 34 o 61.27625 0.8114659 37.60834       0.9937043 36.04137       1.373975  39.32687       1.438892  -2.671970      1.622932  
1 1 1 -26 15 35 o 36.15808 0.7080662 13.12853       0.5106896 12.76377       0.7437677 13.45390       0.7024503 -0.9594498     1.416132  
1 1 1 -26 15 36 o 36.16251 0.7167525 13.13542       0.5168835 12.74130       0.7536582 13.48544       0.7102398 -1.034370      1.433505  
1 1 1 -26 15 37 o 81.35752 0.9816364 66.48579       1.596935  65.23969       2.230744  67.79565       2.287124  -1.560974      1.963273  
1 1 1 -26 15 38 o 20.74433 0.9227046 4.342126       0.3721630 4.236503       0.5974253 4.409107       0.4757501 -0.4365940     1.845409  
1 1 1 -26 15 39 o 60.60056 1.468046  37.56356       1.498101  36.40182       3.089438  37.92071       1.712970  -1.629372      2.936091  
1 1 1 -26 15 40 o 52.48706 0.9752329 27.71887       1.011281  27.55382       1.553575  27.84023       1.332156  -0.3158264     1.950466  
1 1 1 -26 15 41 o 18.11882 1.218964  3.299886       0.4343312 3.378249       0.6827387 3.246613       0.5629282 0.3325005      2.437927  
1 1 1 -26 15 42 o 28.29082 0.9928743 8.006987       0.5568318 8.393011       0.8538776 7.721359       0.7344954 1.160574       1.985749  
1 1 1 -26 15 43 o 29.07235 1.007740  8.594602       0.5796839 7.607506       0.8499923 9.452911       0.7926064 -3.186493      2.015479  
1 1 1 -26 15 44 o 30.85098 1.004046  9.326419       0.6101905 11.11873       0.9711072 8.157126       0.7843723 4.756527       2.008092  
1 1 1 -26 15 45 f 15.86922 1.439685  2.523554       0.4483286 2.711929       0.7164792 2.402332       0.5747561 0.9253426      2.879370  
1 1 1 -26 15 46 o 15.53339 1.609037  2.702944       0.4460616 1.724959       0.6926621 3.395908       0.5830560 -5.626385      3.218074  
1 1 1 -26 15 47 o 7.542183 2.219883  0.1798583      0.4654849 0.3252251      1.015339  0.1411747      0.5237707 2.488203       4.439767  
1 1 1 -26 16 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 16 2  o 27.59904 1.672634  7.655852       0.9232621 7.655852       0.9232621 ?              ?         ?              ?         
1 1 1 -26 16 3  o 30.08128 1.146844  9.002749       0.6864918 8.176593       0.9172440 10.05484       1.035097  -3.104847      2.293687  
1 1 1 -26 16 4  o 42.01598 1.104622  17.71056       0.9260205 17.46833       1.262784  17.99236       1.362020  -0.6099434     2.209245  
1 1 1 -26 16 5  o 66.58376 1.251874  44.57322       1.666919  44.41652       2.338934  44.73495       2.376270  -0.2333755     2.503749  
1 1 1 -26 16 6  o 72.62711 1.314063  52.59745       1.896596  49.20075       2.516118  57.06681       2.886189  -5.356209      2.628127  
1 1 1 -26 16 7  o 16.24193 1.695790  2.667035       0.5496820 2.872661       0.7786763 2.462785       0.7760656 1.261250       3.391580  
1 1 1 -26 16 8  o 74.22255 1.330859  55.23659       1.970873  52.91036       2.677252  57.98863       2.911990  -3.383583      2.661718  
1 1 1 -26 16 9  o 51.06137 1.123596  26.18401       1.147343  26.22191       1.612399  26.14513       1.632973  0.7793427E-01  2.247193  
1 1 1 -26 16 10 o 29.20489 1.147879  8.568220       0.6703209 8.632686       0.9401518 8.501564       0.9560010 0.2266445      2.295757  
1 1 1 -26 16 11 o 63.65714 1.220055  40.68474       1.552075  39.77596       2.144289  41.68483       2.249414  -1.484119      2.440109  
1 1 1 -26 16 12 o 17.66811 1.596544  3.180645       0.5237803 2.048661       0.7052938 4.572684       0.7821240 -7.311138      3.193089  
1 1 1 -26 16 13 f 73.37737 1.321688  54.15918       1.939608  54.58237       2.746345  53.73802       2.739706  0.5743027      2.643375  
1 1 1 -26 16 14 o 36.10441 1.081562  13.08887       0.7805662 13.63645       1.107642  12.54865       1.100171  1.505505       2.163124  
1 1 1 -26 16 15 o 36.84398 1.079053  13.62985       0.7946904 14.22565       1.128864  13.04449       1.118926  1.601631       2.158106  
1 1 1 -26 16 16 o 64.68108 0.7983829 41.91145       1.032457  41.31842       1.437905  42.54258       1.483385  -0.9418945     1.596766  
1 1 1 -26 16 17 o 33.34199 0.5944725 11.04129       0.3946702 12.11643       0.5930418 10.18656       0.5287675 2.889347       1.188945  
1 1 1 -26 16 18 o 29.08311 0.5939013 8.451735       0.3448484 8.744707       0.5058439 8.197348       0.4713587 0.9384670      1.187803  
1 1 1 -26 16 19 f 79.59612 0.9363597 63.52076       1.490030  62.40207       2.072400  64.71792       2.143859  -1.446259      1.872719  
1 1 1 -26 16 20 o 48.72698 0.6903164 23.74623       0.6719218 24.52733       0.9799178 23.05308       0.9231067 1.507710       1.380633  
1 1 1 -26 16 21 o 18.49449 0.6972608 3.457242       0.2553479 3.147177       0.3778447 3.717891       0.3464300 -1.545786      1.394522  
1 1 1 -26 16 22 o 49.95669 0.7062890 24.94364       0.7044682 25.99370       1.033686  24.03296       0.9626407 1.955742       1.412578  
1 1 1 -26 16 23 o 49.59505 0.7058933 24.63341       0.6998238 24.94506       1.008331  24.34378       0.9720654 0.6027336      1.411787  
1 1 1 -26 16 24 o 42.39609 0.6699488 17.91739       0.5663676 19.13520       0.8417172 16.90985       0.7656106 2.617538       1.339898  
1 1 1 -26 16 25 o 20.84525 0.7201591 4.365401       0.2980002 4.255218       0.4465718 4.453852       0.4001167 -0.4810219     1.440318  
1 1 1 -26 16 26 o 68.69422 0.8554195 47.32010       1.175153  47.74334       1.674894  46.90972       1.649238  0.6036987      1.710839  
1 1 1 -26 16 27 o 36.96224 0.6642799 13.62406       0.4894256 14.42720       0.7291794 12.96559       0.6602476 1.970573       1.328560  
1 1 1 -26 16 28 o 36.27610 0.6678048 13.18649       0.4837503 13.13465       0.7033408 13.23303       0.6664050 -0.1392021     1.335610  
1 1 1 -26 16 29 o 54.73665 0.7584280 30.01636       0.8298405 30.50879       1.196700  29.56024       1.151735  0.8614578      1.516856  
1 1 1 -26 16 30 f 61.64443 0.8078267 38.09734       0.9955239 38.40467       1.431673  37.80962       1.385241  0.4769669      1.615653  
1 1 1 -26 16 31 o 49.44200 0.7340010 24.42096       0.7244997 22.64745       0.9935225 26.43512       1.058783  -3.822746      1.468002  
1 1 1 -26 16 32 o 24.69478 0.7381771 6.096454       0.3614997 6.247989       0.5510983 5.982005       0.4789385 0.5295258      1.476354  
1 1 1 -26 16 33 o 60.83592 0.8092653 37.04652       0.9835055 35.30390       1.352388  39.00271       1.432872  -3.028568      1.618531  
1 1 1 -26 16 34 o 28.52058 0.7274443 8.145177       0.4125591 8.252220       0.6192955 8.059767       0.5531799 0.3289242      1.454889  
1 1 1 -26 16 35 f 47.02271 0.7415746 22.16647       0.6969773 21.09597       0.9771058 23.27537       0.9944732 -2.315113      1.483149  
1 1 1 -26 16 36 o 71.78946 0.9665689 51.93219       1.378964  50.37997       2.052306  53.20970       1.861872  -2.004326      1.933138  
1 1 1 -26 16 37 o 26.81698 0.8061099 7.295432       0.4233529 6.796120       0.6570752 7.649821       0.5535663 -1.607548      1.612220  
1 1 1 -26 16 38 o 81.59624 1.137828  66.99604       1.855625  65.25996       2.567891  68.89336       2.684491  -2.200066      2.275656  
1 1 1 -26 16 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 16 40 o 9.719856 1.839121  1.042883       0.3660619 0.7088056      0.6168411 1.224498       0.4548066 -2.156835      3.678242  
1 1 1 -26 16 41 o 38.61003 0.9502180 15.04419       0.7307162 14.25866       1.065266  15.74227       1.004212  -1.934063      1.900436  
1 1 1 -26 16 42 o 55.72330 1.069711  31.27605       1.191410  29.82498       1.675008  32.76194       1.694987  -2.630508      2.139422  
1 1 1 -26 16 43 o 53.97511 1.061090  29.37637       1.144291  28.62638       1.641970  30.08457       1.595572  -1.362354      2.122180  
1 1 1 -26 16 44 o 28.50276 1.007971  8.127256       0.5645325 8.474131       0.8933225 7.896626       0.7284181 0.9714394      2.015942  
1 1 1 -26 16 45 f 33.45119 1.001510  11.35623       0.6646110 10.24851       0.9705889 12.33415       0.9119529 -3.131765      2.003021  
1 1 1 -26 16 46 o 29.93987 2.102582  0.000000       0.000000  ?              ?         9.104462       1.259020  ?              ?         
1 1 1 -26 17 1  o 9.016586 2.047831  0.5678972      0.5181255 1.498577       0.7148070 -0.4624104     0.7520942 5.782306       4.095662  
1 1 1 -26 17 2  o 35.30498 1.160048  12.39849       0.8147187 10.95673       1.092290  14.20641       1.223157  -4.581661      2.320095  
1 1 1 -26 17 3  o 28.42214 1.213144  8.139823       0.6876181 8.836976       0.9715806 7.440202       0.9732992 2.457476       2.426287  
1 1 1 -26 17 4  o 30.91283 1.192333  9.589869       0.7351168 10.63771       1.063202  8.630124       1.017526  3.239845       2.384666  
1 1 1 -26 17 5  o 42.24514 1.118912  17.87988       0.9438550 17.03285       1.290918  18.85277       1.383513  -2.140106      2.237825  
1 1 1 -26 17 6  o 54.34682 1.166861  29.66611       1.267781  30.84802       1.818546  28.54857       1.768333  2.107735       2.333723  
1 1 1 -26 17 7  o 52.18275 1.155266  27.31146       1.204082  26.35541       1.651475  28.39642       1.759292  -1.939163      2.310531  
1 1 1 -26 17 8  o 6.561740 1.994633  -0.7211676E-01 0.4783109 -0.2837507     0.6837271 0.1307220      0.6693689 -0.9015150     3.989265  
1 1 1 -26 17 9  o 21.78500 1.383967  4.794590       0.6008675 5.187225       0.8425629 4.388257       0.8571345 1.836391       2.767933  
1 1 1 -26 17 10 o 8.593804 2.169569  0.5917719      0.4938050 0.1892365      0.7077945 0.9735078      0.6892655 -2.504709      4.339138  
1 1 1 -26 17 11 o 24.50928 1.280402  6.017784       0.6225445 5.020715       0.8519713 7.160062       0.9119028 -4.354408      2.560804  
1 1 1 -26 17 12 o 24.53425 1.301367  6.032404       0.6349638 5.188716       0.8704677 6.991851       0.9282651 -3.664940      2.602733  
1 1 1 -26 17 13 f 45.32896 1.113317  20.61106       1.008229  21.99819       1.454452  19.32791       1.398874  2.937340       2.226634  
1 1 1 -26 17 14 o 37.94494 1.086831  14.45821       0.8246438 14.85298       1.175150  14.07522       1.157496  1.022335       2.173662  
1 1 1 -26 17 15 o 26.31895 1.198740  6.964075       0.6309821 7.017066       0.8937115 6.911408       0.8909816 0.2002888      2.397479  
1 1 1 -26 17 16 o 44.30955 0.6416823 19.45841       0.5653000 17.80990       0.7512981 21.60966       0.8582437 -4.278595      1.283365  
1 1 1 -26 17 17 o 16.86781 0.6143658 2.878208       0.2051563 2.512789       0.2981361 3.206871       0.2827449 -2.058672      1.228732  
1 1 1 -26 17 18 o 24.50053 0.5958002 6.027177       0.2911537 5.640469       0.4175743 6.393051       0.4061695 -1.536762      1.191600  
1 1 1 -26 17 19 o 55.01550 0.7343135 30.28722       0.8071968 31.26543       1.173290  29.40814       1.112251  1.681889       1.468627  
1 1 1 -26 17 20 o 29.37500 0.6140121 8.647122       0.3600161 8.546339       0.5242845 8.737047       0.4952358 -0.3270359     1.228024  
1 1 1 -26 17 21 o 40.71711 0.6530077 16.61454       0.5314907 16.24914       0.7584323 16.96714       0.7450298 -0.8828812     1.306015  
1 1 1 -26 17 22 o 28.85654 0.6326455 8.356321       0.3643137 7.782151       0.5182503 8.917244       0.5122368 -1.967314      1.265291  
1 1 1 -26 17 23 o 31.68440 0.6467913 9.922727       0.4061184 8.251974       0.5433476 12.03764       0.6113183 -5.967812      1.293583  
1 1 1 -26 17 24 o 32.12771 0.6385955 10.26270       0.4085106 11.15223       0.6141520 9.556837       0.5470886 2.476688       1.277191  
1 1 1 -26 17 25 o 22.70281 0.6913605 5.055101       0.3105766 6.060575       0.4817132 4.339813       0.4062971 3.782139       1.382721  
1 1 1 -26 17 26 o 58.08937 0.7755928 33.73775       0.8994606 35.29440       1.321131  32.39279       1.228025  2.486946       1.551186  
1 1 1 -26 17 27 o 49.53236 0.7225608 24.58507       0.7154894 24.70982       1.028344  24.46802       0.9961341 0.2406044      1.445122  
1 1 1 -26 17 28 o 55.65979 0.7660987 30.86831       0.8492351 33.11065       1.274149  29.07593       1.139156  3.608292       1.532197  
1 1 1 -26 17 29 o 43.58862 0.6961881 19.00074       0.6053146 19.59114       0.8944157 18.50180       0.8222221 1.241291       1.392376  
1 1 1 -26 17 30 o 59.98228 0.7999656 36.07010       0.9591490 36.68627       1.383833  35.50041       1.330615  0.9811783      1.599931  
1 1 1 -26 17 31 o 18.77762 0.8372002 3.557881       0.3088284 3.429207       0.4796782 3.648977       0.4036058 -0.5963116     1.674400  
1 1 1 -26 17 32 o 73.59276 0.9074630 54.30214       1.334514  52.50307       1.841319  56.29280       1.936883  -2.559502      1.814926  
1 1 1 -26 17 33 o 33.50977 0.7061628 11.27640       0.4708532 11.05624       0.6984397 11.45982       0.6374991 -0.6098061     1.412326  
1 1 1 -26 17 34 o 42.78918 0.7609357 18.44283       0.6431295 17.83364       0.9813915 18.90137       0.8514348 -1.265594      1.521871  
1 1 1 -26 17 35 o 16.57001 1.044706  2.901503       0.3233450 2.320868       0.5328918 3.239849       0.4067876 -2.797122      2.089412  
1 1 1 -26 17 36 o 43.24433 0.8266389 18.77835       0.7145637 18.05392       1.009866  19.50475       1.011227  -1.677261      1.653278  
1 1 1 -26 17 37 o 56.21924 0.9884266 31.91179       1.106753  29.41927       1.593680  34.23368       1.538165  -4.292805      1.976853  
1 1 1 -26 17 38 o 30.89846 0.9230498 9.629023       0.5663583 9.302567       0.8449361 9.895367       0.7631909 -0.9754944     1.846100  
1 1 1 -26 17 39 o 34.82345 1.104761  12.15394       0.7543957 11.89312       0.9706106 12.55193       1.198964  -0.8898277     2.209522  
1 1 1 -26 17 40 o 15.64298 1.346208  2.515888       0.3990167 2.340539       0.6702225 2.612163       0.4966190 -0.9188395     2.692416  
1 1 1 -26 17 41 o 16.02794 1.301260  2.474025       0.4031098 3.085094       0.6861563 2.151958       0.4981390 2.854533       2.602521  
1 1 1 -26 17 42 o 15.17122 1.409205  2.350283       0.4116142 2.266962       0.6743581 2.399758       0.5196433 -0.4899082     2.818411  
1 1 1 -26 17 43 o 32.04847 0.9710705 10.40521       0.6166170 9.787990       0.9210244 10.90658       0.8301020 -1.767262      1.942141  
1 1 1 -26 17 44 o 35.50705 0.9674661 12.64754       0.6803658 12.98083       1.042998  12.40067       0.8976442 0.7826805      1.934932  
1 1 1 -26 17 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 18 1  o 34.28602 1.169094  11.77949       0.8001611 11.11829       1.091795  12.54675       1.176099  -2.068760      2.338189  
1 1 1 -26 18 2  o 32.64042 1.196604  10.72457       0.7805517 11.00755       1.092672  10.42969       1.115413  0.8891449      2.393209  
1 1 1 -26 18 3  o 82.35025 1.442123  68.23932       2.370831  66.04991       3.237502  70.77119       3.481501  -2.815926      2.884247  
1 1 1 -26 18 4  o 43.81579 1.136187  19.28387       0.9945655 20.58465       1.426157  18.05232       1.387688  2.883545       2.272375  
1 1 1 -26 18 5  o 29.82623 1.202841  8.942228       0.7171315 8.807049       0.9949799 9.088367       1.034530  -0.4649181     2.405681  
1 1 1 -26 18 6  o 11.74208 2.102303  1.427474       0.5178479 2.112809       0.7511206 0.8066164      0.7149152 4.917473       4.204606  
1 1 1 -26 18 7  o 41.15615 1.133099  17.02051       0.9325969 16.81903       1.308269  17.22866       1.329776  -0.4942932     2.266199  
1 1 1 -26 18 8  f 24.18551 1.308670  5.886182       0.6328839 5.993813       0.9064814 5.783822       0.8840076 0.4300823      2.617341  
1 1 1 -26 18 9  o 44.11506 1.116230  19.51822       0.9835711 18.86048       1.349698  20.26309       1.436297  -1.576458      2.232460  
1 1 1 -26 18 10 o 69.24332 1.299340  48.24209       1.798486  47.73132       2.498184  48.79163       2.591254  -0.7490768     2.598680  
1 1 1 -26 18 11 o 59.61969 1.206501  35.68936       1.437044  34.60800       1.976723  36.90146       2.092816  -1.904228      2.413002  
1 1 1 -26 18 12 o 42.76389 1.112411  18.36329       0.9510944 17.90864       1.324205  18.84773       1.366913  -1.091488      2.224823  
1 1 1 -26 18 13 o 23.82819 1.311456  5.702385       0.6242562 5.417953       0.8585371 6.021456       0.9093125 -1.257229      2.622912  
1 1 1 -26 18 14 o 21.18227 1.362837  4.511529       0.5764222 4.889399       0.8325919 4.163690       0.7988243 1.706684       2.725673  
1 1 1 -26 18 15 o 53.16702 1.162942  28.25365       1.231870  26.64557       1.656112  30.24538       1.843108  -3.355312      2.325883  
1 1 1 -26 18 16 o 21.53738 1.405976  4.675944       0.6016261 3.994382       0.8360856 5.407789       0.8663784 -3.275396      2.811952  
1 1 1 -26 18 17 o 46.03051 0.6616703 21.11907       0.6075013 19.77284       0.8232515 22.72861       0.9001645 -3.203503      1.323341  
1 1 1 -26 18 18 o 33.28533 0.6029441 11.05091       0.4005753 11.88819       0.5888864 10.32987       0.5464851 2.337212       1.205888  
1 1 1 -26 18 19 o 9.286686 1.017340  0.8895622      0.1800231 0.8240798      0.2798993 0.9357614      0.2351023 -0.7444315     2.034680  
1 1 1 -26 18 20 f 69.90092 1.314309  49.18713       1.836683  48.48874       2.554626  49.93441       2.642528  -1.017265      2.628617  
1 1 1 -26 18 21 o 17.60649 0.7135544 3.140874       0.2480916 2.832653       0.3699848 3.392678       0.3344146 -1.594072      1.427109  
1 1 1 -26 18 22 o 74.74675 0.9019056 56.04594       1.348088  55.31956       1.886615  56.80375       1.926996  -0.9874725     1.803811  
1 1 1 -26 18 23 o 19.47224 0.7138995 3.688149       0.2738806 4.555259       0.4336505 3.112767       0.3532489 3.695465       1.427799  
1 1 1 -26 18 24 o 63.20035 0.8110722 40.04912       1.025055  40.42833       1.464502  39.68491       1.435234  0.5845375      1.622144  
1 1 1 -26 18 25 o 40.52063 0.6788079 16.41709       0.5489153 16.97078       0.8083323 15.94328       0.7477674 1.261383       1.357616  
1 1 1 -26 18 26 f 9.470092 1.264607  0.8417954      0.2291804 1.495386       0.3792345 0.4657733      0.2876481 5.448371       2.529215  
1 1 1 -26 18 27 o 34.85743 0.6729946 11.92694       0.4636797 13.87606       0.7268124 10.58920       0.6021293 4.700317       1.345989  
1 1 1 -26 18 28 o 27.28786 0.6870393 7.470192       0.3731867 7.395009       0.5538986 7.532690       0.5050138 -0.2581520     1.374079  
1 1 1 -26 18 29 o 53.99108 0.7612299 29.23400       0.8219434 29.28484       1.169268  29.18434       1.155658  0.9124756E-01  1.522460  
1 1 1 -26 18 30 o 15.69631 0.9322942 2.437686       0.2875029 2.664915       0.4591483 2.291132       0.3687401 1.175785       1.864588  
1 1 1 -26 18 31 o 59.38114 0.8028890 35.38099       0.9533838 34.76848       1.350869  35.98884       1.345723  -1.028309      1.605778  
1 1 1 -26 18 32 o 45.17368 0.7796760 20.59359       0.6975980 19.48075       1.045788  21.48573       0.9363628 -2.234821      1.559352  
1 1 1 -26 18 33 o 58.81284 0.9376238 35.14493       1.071195  33.02538       1.705366  36.52616       1.376667  -3.034740      1.875248  
1 1 1 -26 18 34 o 60.37133 1.074160  36.62032       1.295848  34.85356       1.791408  38.55951       1.876783  -3.051094      2.148320  
1 1 1 -26 18 35 f 65.39857 1.136555  42.94579       1.484121  40.57138       2.029967  45.67233       2.175290  -3.866665      2.273110  
1 1 1 -26 18 36 o 24.44279 0.9314374 5.997382       0.4480192 6.053784       0.7005070 5.958343       0.5827985 0.1718044      1.862875  
1 1 1 -26 18 37 o 57.25356 1.051366  32.98235       1.203220  31.49673       1.677633  34.55603       1.726646  -2.660194      2.102731  
1 1 1 -26 18 38 o 15.47825 1.284732  2.293650       0.3855625 2.970344       0.6505031 1.927173       0.4787143 3.320949       2.569463  
1 1 1 -26 18 39 o 40.25714 0.9380174 16.29754       0.7509623 16.30297       1.123288  16.29315       1.009797  -0.1196671E-01 1.876035  
1 1 1 -26 18 40 o 50.57153 1.010363  25.69241       1.018182  26.40232       1.514304  25.10665       1.375533  1.247723       2.020727  
1 1 1 -26 18 41 o 26.16900 0.9964964 6.911518       0.5107679 6.821452       0.8056475 6.972047       0.6604651 -0.3239517     1.992993  
1 1 1 -26 18 42 o 40.51345 0.9664056 16.39563       0.7753816 17.37802       1.196300  15.68395       1.018212  2.048504       1.932811  
1 1 1 -26 18 43 o 16.76879 1.923776  2.852635       0.4957574 3.069103       1.132472  2.801317       0.5513997 0.2238960      3.847552  
1 1 1 -26 19 1  o 32.86030 1.212005  10.81693       0.7939697 10.24591       1.071639  11.51181       1.182166  -1.904814      2.424011  
1 1 1 -26 19 2  o 47.77921 1.174462  22.90498       1.119793  22.09860       1.523814  23.85168       1.651084  -1.811375      2.348924  
1 1 1 -26 19 3  o 30.67258 1.245275  9.398037       0.7608050 8.399310       1.028275  10.60610       1.130915  -3.577959      2.490550  
1 1 1 -26 19 4  o 46.74788 1.169866  21.98196       1.092278  23.51563       1.556930  20.49549       1.532783  3.226028       2.339732  
1 1 1 -26 19 5  o 33.18930 1.210962  11.08890       0.8033642 11.36444       1.127331  10.80458       1.145136  0.8466301      2.421924  
1 1 1 -26 19 6  o 60.46304 1.237116  36.76092       1.494913  36.06291       2.067861  37.52508       2.163642  -1.191734      2.474232  
1 1 1 -26 19 7  o 32.15151 1.194464  10.39621       0.7678823 10.30876       1.072145  10.48831       1.100302  -0.2742920     2.388928  
1 1 1 -26 19 8  f 48.13529 1.152177  23.27011       1.108339  24.59237       1.595631  22.03736       1.540670  2.644726       2.304354  
1 1 1 -26 19 9  o 9.580248 2.228845  0.8351082      0.5267348 0.3195857      0.7477850 1.342793       0.7420788 -3.451753      4.457691  
1 1 1 -26 19 10 o 50.39871 1.168163  25.54037       1.177040  25.42585       1.640711  25.66181       1.689535  -0.2257576     2.336325  
1 1 1 -26 19 11 o 36.07291 1.169903  13.05906       0.8430305 12.53865       1.158155  13.64555       1.229491  -1.522053      2.339806  
1 1 1 -26 19 12 o 30.54171 1.222056  9.370874       0.7458592 8.904567       1.032759  9.879235       1.078324  -1.587490      2.444112  
1 1 1 -26 19 13 o 49.94067 1.168725  25.04917       1.165945  24.45590       1.603074  25.71548       1.698883  -1.244694      2.337449  
1 1 1 -26 19 14 o 34.74048 1.162538  12.12722       0.8072959 11.86977       1.119310  12.40634       1.165465  -0.7644081     2.325076  
1 1 1 -26 19 15 o 34.93307 1.171476  12.17003       0.8148729 10.84597       1.098940  13.78724       1.214517  -4.190029      2.342952  
1 1 1 -26 19 16 o 57.79206 1.220453  33.52619       1.408122  32.34622       1.923020  34.89027       2.067602  -2.175091      2.440905  
1 1 1 -26 19 17 o 31.03514 0.9172874 8.897059       0.4314739 8.523509       0.4703192 10.88230       1.084238  -3.719809      1.834575  
1 1 1 -26 19 18 o 24.01242 0.5896994 5.778650       0.2817349 5.032195       0.3930313 6.567601       0.4040643 -3.196140      1.179399  
1 1 1 -26 19 19 o 21.03633 0.6142384 4.444833       0.2574797 4.259776       0.3758174 4.608537       0.3534716 -0.8310337     1.228477  
1 1 1 -26 19 20 o 60.73281 0.7900621 36.94447       0.9589986 35.89111       1.326552  38.09766       1.387991  -1.809040      1.580124  
1 1 1 -26 19 21 o 46.04855 0.6926695 21.24436       0.6377471 20.54097       0.8941684 21.97265       0.9098574 -1.552795      1.385339  
1 1 1 -26 19 22 o 51.78004 0.7303712 26.84610       0.7558869 25.95156       1.046483  27.82194       1.093005  -1.800465      1.460742  
1 1 1 -26 19 23 o 61.65810 0.8039646 38.11987       0.9910675 38.69591       1.424426  37.57935       1.379801  0.8993340      1.607929  
1 1 1 -26 19 24 o 16.06223 0.7870526 2.547632       0.2499490 2.849517       0.3908735 2.338789       0.3251065 1.580819       1.574105  
1 1 1 -26 19 25 o 17.65932 0.7597883 3.163102       0.2645507 2.871763       0.3978960 3.393929       0.3541720 -1.484234      1.519577  
1 1 1 -26 19 26 o 22.44201 0.7271070 5.025188       0.3237190 5.236071       0.4942707 4.866781       0.4283820 0.8143234      1.454214  
1 1 1 -26 19 27 o 23.88276 0.7240161 5.734975       0.3431605 5.580814       0.5146121 5.858415       0.4604903 -0.5880718     1.448032  
1 1 1 -26 19 28 o 48.29726 0.7316341 23.14756       0.7015036 25.33730       1.074206  21.51932       0.9262971 3.933281       1.463268  
1 1 1 -26 19 29 o 28.58430 0.7812775 8.244932       0.4303861 8.011276       0.7056050 8.383366       0.5431169 -0.6737518     1.562555  
1 1 1 -26 19 30 o 44.27058 0.9007670 19.46791       0.7906058 21.27666       1.218677  18.15348       1.038891  3.496742       1.801534  
1 1 1 -26 19 31 o 15.58021 1.099269  2.433187       0.3323516 2.486933       0.5424889 2.400894       0.4205063 0.2499800      2.198538  
1 1 1 -26 19 32 o 37.78355 0.8754328 14.35491       0.6594611 14.10515       0.9671043 14.57197       0.9015775 -0.6291695     1.750866  
1 1 1 -26 19 33 o 17.45405 1.092247  3.166859       0.3637436 2.693212       0.5853366 3.464839       0.4642710 -2.236643      2.184494  
1 1 1 -26 19 34 o 52.99764 1.001722  28.21482       1.060664  26.50883       1.469632  30.06950       1.532345  -3.345596      2.003443  
1 1 1 -26 19 35 o 13.12277 1.370762  1.719431       0.3463306 1.827016       0.5811728 1.660187       0.4312711 0.5900288      2.741525  
1 1 1 -26 19 36 o 32.88158 0.9028868 10.92828       0.5901338 10.12179       0.8625324 11.63808       0.8091716 -2.316265      1.805774  
1 1 1 -26 19 37 o 17.34394 1.178546  3.068501       0.3927959 2.908998       0.6435343 3.163208       0.4958829 -0.7717838     2.357092  
1 1 1 -26 19 38 o 20.52150 1.110572  4.329905       0.4369380 3.930461       0.7104616 4.572893       0.5541223 -1.605511      2.221143  
1 1 1 -26 19 39 f 26.91989 0.9491556 7.200792       0.5034119 7.812668       0.7952659 6.791680       0.6502829 1.861893       1.898311  
1 1 1 -26 19 40 o 9.096214 1.826231  0.8873276      0.3454445 0.7089529      0.5760317 0.9875053      0.4316830 -1.129592      3.652462  
1 1 1 -26 19 41 o 24.53688 1.009894  5.809947       0.4838812 7.312335       0.7966738 4.931725       0.6091047 4.804350       2.019789  
1 1 1 -26 19 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 20 1  o 56.19791 1.236771  31.77167       1.388730  33.75841       2.006220  29.94392       1.924265  3.375950       2.473542  
1 1 1 -26 20 2  o 32.50070 1.256042  10.57957       0.8129118 9.972787       1.089716  11.34094       1.220657  -2.075903      2.512083  
1 1 1 -26 20 3  o 56.14774 1.240825  31.76815       1.393028  31.89976       1.950260  31.63106       1.990433  0.2479820      2.481650  
1 1 1 -26 20 4  o 71.20815 1.349495  51.10508       1.919731  50.12135       2.642781  52.20405       2.793288  -1.427307      2.698989  
1 1 1 -26 20 5  o 30.02827 1.278041  9.059561       0.7660493 8.648808       1.044206  9.538260       1.127271  -1.462910      2.556082  
1 1 1 -26 20 6  o 40.20013 1.194953  16.26723       0.9605935 16.09948       1.344176  16.44231       1.373260  -0.4205513     2.389906  
1 1 1 -26 20 7  o 30.55865 1.270371  9.374319       0.7748655 8.650923       1.061531  10.19938       1.133673  -2.518333      2.540741  
1 1 1 -26 20 8  o 67.45297 1.309135  45.85219       1.765842  46.95133       2.516975  44.78679       2.478035  1.596077       2.618271  
1 1 1 -26 20 9  o 20.72792 1.560154  4.326747       0.6423583 3.666711       0.8799444 5.079757       0.9398780 -3.393328      3.120308  
1 1 1 -26 20 10 f 55.81008 1.216596  31.34537       1.357252  30.92676       1.884174  31.79685       1.956773  -0.7651062     2.433192  
1 1 1 -26 20 11 f 32.20378 1.243326  10.42736       0.7999953 9.819005       1.108121  11.08958       1.156135  -1.962999      2.486652  
1 1 1 -26 20 12 o 40.42208 1.172571  16.40232       0.9467732 15.47241       1.302738  17.44328       1.378337  -2.423412      2.345142  
1 1 1 -26 20 13 o 19.96713 1.584203  4.026827       0.6320826 3.880408       0.8718638 4.189046       0.9176959 -0.7609673     3.168405  
1 1 1 -26 20 14 o 45.07764 1.184875  20.45635       1.067514  20.54482       1.484648  20.36166       1.536049  0.2132187      2.369750  
1 1 1 -26 20 15 o 18.28246 1.627994  3.383489       0.5945733 3.166496       0.8327528 3.609137       0.8491956 -1.206102      3.255988  
1 1 1 -26 20 16 o 54.00934 1.209132  29.37382       1.305742  29.38235       1.825916  29.36489       1.867999  0.2474594E-01  2.418263  
1 1 1 -26 20 17 f 10.57670 2.222606  1.095595       0.5407242 0.5027210      0.7502556 1.736430       0.7800111 -4.407252      4.445212  
1 1 1 -26 20 18 f 23.95942 1.419878  5.792650       0.6770843 5.053324       0.9395822 6.591332       0.9765721 -3.200563      2.839756  
1 1 1 -26 20 19 o 12.29924 2.179195  1.612842       0.5661294 0.8478450      0.8061504 2.357230       0.7952175 -5.373950      4.358391  
1 1 1 -26 20 20 o 42.81424 1.174407  18.43223       1.004819  19.04635       1.457218  17.87554       1.387407  1.352898       2.348813  
1 1 1 -26 20 21 f 28.34174 1.292067  8.067095       0.7309190 8.728940       1.072616  7.493336       0.9986901 2.163004       2.584134  
1 1 1 -26 20 22 o 59.84634 1.117746  36.37365       1.299087  34.57510       2.076287  37.53068       1.665323  -2.549377      2.235492  
1 1 1 -26 20 23 f 42.97090 0.9896234 18.72957       0.7274560 18.21684       1.470108  18.89583       0.8371293 -0.8961563     1.979247  
1 1 1 -26 20 24 o 34.09127 0.9955923 11.49709       0.5462701 11.99078       1.223131  11.37407       0.6105449 0.8010368      1.991185  
1 1 1 -26 20 25 o 38.50529 0.8628376 14.58100       0.5961417 15.56729       1.145583  14.21473       0.6981130 1.688107       1.725675  
1 1 1 -26 20 26 o 38.75030 0.7760801 14.95943       0.5816990 15.46635       0.9600227 14.66535       0.7312149 1.000969       1.552160  
1 1 1 -26 20 27 o 36.91003 0.8331663 13.57213       0.6107960 14.51271       0.9309678 12.86126       0.8093389 2.217834       1.666333  
1 1 1 -26 20 28 o 46.15246 0.9058799 21.39106       0.8347988 21.50820       1.217437  21.28710       1.146886  0.2270012      1.811760  
1 1 1 -26 20 29 o 30.05153 0.8314795 8.907582       0.4934636 10.05503       0.7760389 8.128697       0.6393736 3.182377       1.662959  
1 1 1 -26 20 30 o 26.01512 0.8582721 6.784494       0.4409148 6.870001       0.6816925 6.722995       0.5781241 0.2646732      1.716544  
1 1 1 -26 20 31 o 11.48708 1.427693  1.226096       0.3076248 2.010720       0.5307398 0.8291389      0.3775044 5.236497       2.855386  
1 1 1 -26 20 32 f 41.89843 0.9029298 17.65244       0.7541821 17.55214       1.110406  17.73833       1.027555  -0.2388763     1.805860  
1 1 1 -26 20 33 o 21.80523 0.9595710 4.779386       0.4096112 4.795288       0.6498766 4.768904       0.5276052 0.3466988E-01  1.919142  
1 1 1 -26 20 34 o 24.32188 0.9336920 5.912759       0.4453346 6.123909       0.7081596 5.774631       0.5727652 0.6900616      1.867384  
1 1 1 -26 20 35 o 33.36403 0.9027103 11.27262       0.5978246 10.20305       0.8717158 12.22233       0.8214267 -3.036469      1.805421  
1 1 1 -26 20 36 o 12.59391 1.782577  1.141160       0.3791952 2.848353       0.8868811 0.7592570      0.4194698 8.171618       3.565154  
1 1 1 -26 20 37 o 44.13179 1.224143  19.93517       0.9814296 19.06909       1.795918  20.30394       1.171893  -1.585289      2.448285  
1 1 1 -26 20 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 20 39 o 47.59621 1.368317  0.000000       0.000000  ?              ?         22.80121       1.302534  ?              ?         
1 1 1 -26 20 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 21 1  o 53.36544 1.240236  28.71006       1.323418  28.99454       1.857934  28.41706       1.885563  0.5473213      2.480472  
1 1 1 -26 21 2  o 66.21000 1.324546  44.19572       1.752501  43.45088       2.421422  45.01506       2.539623  -1.153030      2.649092  
1 1 1 -26 21 3  o 49.97717 1.221530  25.10836       1.219288  24.11794       1.671455  26.23484       1.782571  -2.093655      2.443060  
1 1 1 -26 21 4  o 39.91609 1.209327  16.06407       0.9645127 16.71893       1.356328  15.39412       1.371859  1.662823       2.418653  
1 1 1 -26 21 5  o 38.92928 1.227419  15.18966       0.9531056 13.91220       1.297082  16.68893       1.405189  -3.542923      2.454839  
1 1 1 -26 21 6  o 55.11204 1.240969  30.59733       1.367208  30.30868       1.900940  30.90667       1.967842  -0.5278664     2.481937  
1 1 1 -26 21 7  o 43.41006 1.214261  18.80721       1.049330  16.94592       1.407581  21.13562       1.574336  -4.789997      2.428523  
1 1 1 -26 21 8  o 13.71992 2.163468  1.981648       0.6017961 2.751229       0.8584223 1.237886       0.8438999 5.455682       4.326935  
1 1 1 -26 21 9  o 35.11496 1.238493  12.42245       0.8695719 12.03502       1.221165  12.82098       1.238539  -1.115341      2.476986  
1 1 1 -26 21 10 f 50.95796 1.225255  26.14473       1.248267  25.55351       1.736605  26.77673       1.795499  -1.187504      2.450510  
1 1 1 -26 21 11 o 42.47333 1.210548  18.16365       1.028062  18.72148       1.470268  17.62999       1.438064  1.278046       2.421097  
1 1 1 -26 21 12 o 22.95785 1.510195  5.324763       0.6926048 5.699102       0.9959654 4.974206       0.9638082 1.570200       3.020390  
1 1 1 -26 21 13 o 15.33553 2.056820  2.462192       0.6117785 3.190781       0.8818918 1.786310       0.8493939 4.782019       4.113640  
1 1 1 -26 21 14 o 23.41709 1.478732  5.532215       0.6916432 5.941537       1.001495  5.158979       0.9563301 1.659142       2.957464  
1 1 1 -26 21 15 o 62.35580 1.293962  39.15160       1.612051  38.04556       2.219398  40.38678       2.345384  -1.848534      2.587924  
1 1 1 -26 21 16 o 22.61170 1.513537  5.171514       0.6844531 5.132809       0.9687446 5.210094       0.9671831 -0.1713142     3.027074  
1 1 1 -26 21 17 o 44.83904 1.207411  20.23932       1.082330  19.83126       1.504328  20.67723       1.558394  -0.9317970     2.414821  
1 1 1 -26 21 18 o 41.96049 0.9907362 17.67441       0.6870257 17.65957       0.7771757 17.72748       1.469634  0.3537750E-01  1.981472  
1 1 1 -26 21 19 o 55.94527 0.7548006 31.37488       0.8443505 30.73657       1.178613  32.04787       1.210197  -1.167694      1.509601  
1 1 1 -26 21 20 o 47.95880 0.7398912 23.04375       0.7050024 23.24562       1.061796  22.88458       0.9428219 0.3605461      1.479782  
1 1 1 -26 21 21 o 67.64195 1.293384  45.97315       1.736485  44.76839       2.304543  47.55570       2.641275  -1.980614      2.586769  
1 1 1 -26 21 22 o 55.17978 0.8111806 30.59223       0.8901193 30.18306       1.326888  30.92702       1.200254  -0.6932831     1.622361  
1 1 1 -26 21 23 o 60.38785 0.9782685 36.42453       1.164309  37.98263       1.824216  35.35353       1.512429  2.118576       1.956537  
1 1 1 -26 21 24 o 25.26197 0.7523862 6.390335       0.3777815 6.501548       0.5689145 6.302616       0.5052596 0.3843708      1.504772  
1 1 1 -26 21 25 o 63.68837 1.077664  40.57546       1.365798  43.24928       2.059167  38.47515       1.825020  3.697880       2.155328  
1 1 1 -26 21 26 o 14.32600 1.003589  2.100420       0.2798189 1.886261       0.4367730 2.249510       0.3644270 -1.282092      2.007178  
1 1 1 -26 21 27 f 59.69363 1.040816  35.68552       1.237499  37.66247       1.853089  34.09422       1.662550  2.948368       2.081632  
1 1 1 -26 21 28 o 31.65353 0.8241109 10.08942       0.5193192 9.721375       0.7638754 10.40572       0.7081434 -1.090816      1.648222  
1 1 1 -26 21 29 o 31.86205 0.8290392 10.00972       0.5216977 11.36893       0.8204749 9.087216       0.6759371 3.553827       1.658078  
1 1 1 -26 21 30 o 40.47542 0.8803204 16.45454       0.7103202 16.55717       1.049007  16.36764       0.9652953 0.2177925      1.760641  
1 1 1 -26 21 31 o 50.87304 0.9709331 26.01010       0.9870911 24.58136       1.375705  27.52618       1.417132  -2.885406      1.941866  
1 1 1 -26 21 32 o 43.68468 0.9167243 19.15596       0.7981256 19.53503       1.184233  18.84048       1.080346  0.7734261      1.833449  
1 1 1 -26 21 33 o 78.96674 1.301543  62.92731       2.053215  60.43358       2.822239  65.73123       2.992613  -3.302635      2.603086  
1 1 1 -26 21 34 o 25.29875 0.9269547 6.249739       0.4577947 7.295468       0.7524396 5.635140       0.5768437 3.241653       1.853909  
1 1 1 -26 21 35 o 29.50978 0.9025263 8.840206       0.5273008 7.994289       0.7783719 9.557691       0.7168527 -2.662870      1.805053  
1 1 1 -26 21 36 o 35.99145 0.9057435 13.07650       0.6485481 12.46729       0.9540393 13.59989       0.8842972 -1.588890      1.811487  
1 1 1 -26 21 37 o 7.036793 1.849206  0.3874103      0.3319597 0.4369924      0.5760995 0.3627645      0.4061686 0.9430470      3.698412  
1 1 1 -26 21 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 22 1  o 85.36929 1.531545  73.75127       2.613228  76.59615       3.778742  71.14351       3.617832  3.144348       3.063090  
1 1 1 -26 22 2  o 27.81575 1.442215  7.827342       0.8019689 7.518757       1.127933  8.142828       1.140482  -1.118193      2.884429  
1 1 1 -26 22 3  o 52.81991 1.256452  28.13442       1.327041  28.83972       1.898426  27.46047       1.855740  1.295006       2.512903  
1 1 1 -26 22 4  o 62.90208 1.311852  39.75447       1.645235  37.64925       2.222312  42.30767       2.447363  -3.645046      2.623705  
1 1 1 -26 22 5  o 58.39007 1.278449  34.40501       1.492710  34.80611       2.099659  33.99512       2.122547  0.7001343      2.556898  
1 1 1 -26 22 6  o 17.78690 1.935123  3.235306       0.6867117 3.032067       0.9821248 3.429714       0.9605486 -1.125799      3.870245  
1 1 1 -26 22 7  o 72.87338 1.394314  53.65135       2.031971  54.66500       2.893390  52.66490       2.854292  1.361946       2.788628  
1 1 1 -26 22 8  o 21.40602 1.633363  4.647310       0.6991428 4.653869       0.9988132 4.641009       0.9789601 0.2391434E-01  3.266726  
1 1 1 -26 22 9  o 22.64734 1.593183  5.196333       0.7122499 6.362791       1.035527  4.149028       0.9812133 4.871414       3.186365  
1 1 1 -26 22 10 o 58.54016 1.278548  34.55294       1.496568  35.61326       2.138222  33.53469       2.095363  1.765079       2.557096  
1 1 1 -26 22 11 o 21.11859 1.668697  4.530151       0.6947017 5.577333       1.007647  3.581510       0.9590656 4.710312       3.337395  
1 1 1 -26 22 12 f 58.92209 1.278324  34.89482       1.502969  33.27108       2.042676  36.81157       2.219336  -2.962074      2.556649  
1 1 1 -26 22 13 f 28.48347 1.399730  8.120504       0.7890173 6.612816       1.065601  9.950303       1.173926  -5.830345      2.799460  
1 1 1 -26 22 14 o 31.09891 1.639692  9.779621       0.9630341 9.904246       1.665479  9.717022       1.180374  0.1527729      3.279384  
1 1 1 -26 22 15 o 24.26914 1.872831  6.010571       0.8376629 5.975324       1.508689  6.026279       1.007170  -0.2798729     3.745661  
1 1 1 -26 22 16 o 51.89363 1.538197  26.56661       1.480919  29.17952       2.700635  25.44306       1.770920  3.328114       3.076394  
1 1 1 -26 22 17 o 55.41474 1.553768  31.20608       1.629779  30.82567       2.788283  31.40350       2.008635  -0.7529564     3.107536  
1 1 1 -26 22 18 o 12.73508 2.739903  1.740509       0.7486101 1.338754       1.319183  1.931342       0.9091836 -1.384327      5.479806  
1 1 1 -26 22 19 o 32.29089 0.6480048 10.44424       0.4182702 10.66523       0.6035446 10.24002       0.5801930 0.6553955      1.296010  
1 1 1 -26 22 20 o 31.47602 0.6958532 9.870291       0.4360725 10.59188       0.6557171 9.298086       0.5839094 2.045259       1.391706  
1 1 1 -26 22 21 f 11.80495 1.020312  1.402411       0.2182304 1.400215       0.4059364 1.403304       0.2588116 -0.4234123E-01 2.040623  
1 1 1 -26 22 22 o 33.17027 0.7431591 11.04211       0.4922270 10.94874       0.7150034 11.12622       0.6786469 -0.2729797     1.486318  
1 1 1 -26 22 23 o 10.12600 1.124406  1.055226       0.2168343 1.014878       0.3418995 1.082374       0.2804501 -0.5000668     2.248811  
1 1 1 -26 22 24 o 20.34877 0.7773971 4.125532       0.3134925 4.373154       0.4823215 3.944405       0.4125100 1.041807       1.554794  
1 1 1 -26 22 25 f 12.45493 1.036019  1.569046       0.2513334 1.528684       0.4013270 1.595091       0.3223805 -0.2846518     2.072039  
1 1 1 -26 22 26 f 17.22509 0.8755012 2.975885       0.2981091 3.017206       0.4592436 2.945794       0.3918998 0.1941738      1.751002  
1 1 1 -26 22 27 o 27.23677 0.7856467 7.468838       0.4258219 7.202248       0.6280419 7.695663       0.5793117 -0.9142075     1.571293  
1 1 1 -26 22 28 o 31.03874 0.8321371 9.733065       0.5134091 8.719596       0.7384337 10.68139       0.7143076 -3.164667      1.664274  
1 1 1 -26 22 29 o 47.98064 0.9293079 23.13103       0.8909851 21.79610       1.242791  24.54274       1.278035  -2.854805      1.858616  
1 1 1 -26 22 30 o 38.27155 0.8705273 14.75217       0.6647872 14.07506       0.9584902 15.37984       0.9228260 -1.711864      1.741055  
1 1 1 -26 22 31 o 8.526521 1.668962  0.7806930      0.2894551 0.6345215      0.4942646 0.8569913      0.3570962 -0.9838448     3.337923  
1 1 1 -26 22 32 o 40.31867 0.8989812 16.28493       0.7214736 14.18418       0.9896699 18.66766       1.054001  -5.545528      1.797962  
1 1 1 -26 22 33 o 27.62901 0.8841224 7.684245       0.4825782 7.619002       0.7409921 7.732297       0.6359293 -0.2280407     1.768245  
1 1 1 -26 22 34 o 32.54108 0.8814002 10.70869       0.5697618 9.954049       0.8368828 11.36068       0.7778785 -2.173946      1.762800  
1 1 1 -26 22 35 o 36.68628 1.225056  13.87134       0.7817078 13.04984       1.525976  14.16361       0.9102051 -1.700161      2.450112  
1 1 1 -26 23 1  f 49.34069 1.541179  24.38768       1.459805  25.85337       2.464507  23.59549       1.811860  2.065144       3.082357  
1 1 1 -26 23 2  o 49.37439 1.302969  24.57178       1.284838  26.02902       1.877921  23.28930       1.761711  2.740570       2.605938  
1 1 1 -26 23 3  o 11.56072 2.549473  1.383883       0.6586287 1.615254       0.9308088 1.151881       0.9320759 1.518243       5.098946  
1 1 1 -26 23 4  o 10.33073 2.855514  0.7703786      0.7945791 0.4164522      1.558488  0.8946903      0.9236400 0.6460428      5.711027  
1 1 1 -26 23 5  o 13.19526 2.914449  1.736916       0.8059285 2.156654       1.442671  1.546504       0.9716857 2.140569       5.828897  
1 1 1 -26 23 6  o 42.72459 1.843289  0.000000       0.000000  ?              ?         18.43765       1.575075  ?              ?         
1 1 1 -26 23 7  o 53.06221 1.853219  0.000000       0.000000  ?              ?         28.43856       1.966717  ?              ?         
1 1 1 -26 23 8  f 45.12701 1.817771  0.000000       0.000000  ?              ?         20.55926       1.640611  ?              ?         
1 1 1 -26 23 9  o 36.21886 1.915010  0.000000       0.000000  ?              ?         13.25652       1.387190  ?              ?         
1 1 1 -26 23 10 o 35.11884 3.122498  0.000000       0.000000  ?              ?         12.67839       2.193170  ?              ?         
1 1 1 -26 23 11 o 29.65916 3.475557  0.000000       0.000000  ?              ?         9.101327       2.061642  ?              ?         
1 1 1 -26 23 12 o 38.10115 3.095405  0.000000       0.000000  ?              ?         14.91623       2.358770  ?              ?         
1 1 1 -26 23 13 o 42.25283 2.936920  0.000000       0.000000  ?              ?         18.29651       2.481864  ?              ?         
1 1 1 -26 23 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 23 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 23 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 23 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 23 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 23 19 o 24.91937 0.6135624 6.225337       0.3053240 6.208039       0.4439173 6.240866       0.4206115 -0.6904030E-01 1.227125  
1 1 1 -26 23 20 o 22.57816 0.6411492 5.111012       0.2887378 5.110638       0.4241782 5.111336       0.3941475 -0.5849838E-02 1.282298  
1 1 1 -26 23 21 o 14.48212 0.7695076 2.134902       0.2187202 1.923852       0.3333592 2.294427       0.2898239 -1.286796      1.539015  
1 1 1 -26 23 22 o 31.14897 0.7248118 9.717040       0.4500958 9.943247       0.6669306 9.527839       0.6099432 0.6576881      1.449624  
1 1 1 -26 23 23 o 8.939808 1.226309  0.8508199      0.2050979 0.7248421      0.3389269 0.9236062      0.2576220 -1.287332      2.452618  
1 1 1 -26 23 24 o 25.32023 0.7449914 6.443040       0.3743079 6.355987       0.5638137 6.511646       0.5005227 -0.3178749     1.489983  
1 1 1 -26 23 25 o 40.45930 0.8228334 16.44819       0.6654475 15.84790       0.9426488 17.04452       0.9395289 -1.479374      1.645667  
1 1 1 -26 23 26 o 25.99152 0.7647977 6.772292       0.3949982 6.861637       0.5950695 6.701917       0.5281264 0.2953854      1.529595  
1 1 1 -26 23 27 f 13.63100 1.012038  1.882442       0.2683358 1.819486       0.4290797 1.922879       0.3438773 -0.3996143     2.024077  
1 1 1 -26 23 28 o 22.88748 0.8792614 5.360343       0.3948033 4.630562       0.5925687 5.942879       0.5294245 -2.880421      1.758523  
1 1 1 -26 23 29 o 31.37105 0.8335315 9.934958       0.5193110 9.458776       0.7706332 10.33108       0.7028691 -1.404510      1.667063  
1 1 1 -26 23 30 o 21.05725 0.9134998 4.409526       0.3776434 4.717073       0.6023144 4.210311       0.4847612 1.176748       1.827000  
1 1 1 -26 23 31 o 21.04514 0.9297411 4.394629       0.3829016 4.742282       0.6177734 4.177761       0.4879266 1.311779       1.859482  
1 1 1 -26 23 32 o 24.08283 0.9296848 5.954478       0.4372910 5.145836       0.6660752 6.567042       0.5797237 -2.970455      1.859370  
1 1 1 -26 24 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 24 20 o 29.09887 0.6693076 8.420816       0.3872509 7.263047       0.5237469 9.817089       0.5751686 -4.380648      1.338615  
1 1 1 -26 24 21 o 33.91665 0.7224379 11.54529       0.4896451 10.94592       0.6892324 12.15602       0.6957390 -1.782833      1.444876  
1 1 1 -26 24 22 o 21.47954 0.7059435 4.533759       0.2996942 5.275545       0.4699155 4.025189       0.3890952 2.896959       1.411887  
1 1 1 -26 24 23 o 30.68361 0.7345700 9.369105       0.4473079 10.07850       0.6850484 8.841856       0.5905882 1.998184       1.469140  
1 1 1 -26 24 24 o 7.091428 1.440791  0.5214257      0.2089861 0.5014230      0.3547950 0.5320531      0.2586113 -0.4972792E-01 2.881581  
1 1 1 -26 24 25 o 11.00787 1.266096  1.451983       0.2398561 0.7012808      0.3862102 1.923333       0.3060285 -5.660838      2.532192  
1 1 1 -26 24 26 o 31.49221 0.7738465 9.880660       0.4832193 10.53687       0.7422826 9.398030       0.6365809 1.787872       1.547693  
1 1 1 -26 24 27 o 22.51736 0.8371528 5.192309       0.3697843 4.320818       0.5458367 5.931577       0.5027272 -3.585360      1.674306  
1 1 1 -26 24 28 o 55.42094 0.9932142 30.92468       1.099992  30.97178       1.588636  30.88130       1.524588  0.6592178E-01  1.986428  
1 1 1 -26 24 29 o 42.72425 1.175773  18.78236       0.8989406 17.64379       1.678340  19.24039       1.064511  -2.046085      2.351547  
1 1 1 -26 25 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 25 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -26 26 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 0  1  o 28.77769 1.104621  8.321456       0.6337310 8.321456       0.6337310 8.321456       0.6337310 -0.000000      0.000000  
1 1 1 -25 0  2  o 36.86599 0.8242988 13.63401       0.6062669 13.78794       0.8695434 13.48839       0.8457340 -0.000000      0.000000  
1 1 1 -25 0  3  o 15.12319 0.9917871 2.346370       0.2950471 2.370569       0.4239563 2.323643       0.4108705 -0.000000      0.000000  
1 1 1 -25 0  4  o 38.61623 0.8312261 14.92626       0.6398369 15.62977       0.9343850 14.30512       0.8779787 -0.000000      0.000000  
1 1 1 -25 0  5  o 87.72530 1.391335  77.13802       2.437594  78.27698       3.500775  76.06610       3.396162  -0.000000      0.000000  
1 1 1 -25 0  6  f 51.80302 0.9520277 26.90552       0.9848595 26.69797       1.392811  27.11307       1.392792  -0.000000      0.000000  
1 1 1 -25 0  7  o 25.47352 0.8158926 6.533932       0.4132663 6.483908       0.5990860 6.579348       0.5708308 -0.000000      0.000000  
1 1 1 -25 0  8  o 70.46864 1.168444  49.74899       1.643875  50.73926       2.372071  48.83391       2.280228  -0.000000      0.000000  
1 1 1 -25 0  9  o 97.66797 1.529825  95.66551       2.985001  95.17728       4.209126  96.15951       4.233840  -0.000000      0.000000  
1 1 1 -25 0  10 o 15.38829 0.9993907 2.424652       0.3024369 2.311457       0.4178257 2.549229       0.4383315 -0.000000      0.000000  
1 1 1 -25 0  11 o 126.3945 1.929034  160.3369       4.871220  159.5043       6.860794  161.1834       6.917447  -0.000000      0.000000  
1 1 1 -25 0  12 o 57.76053 1.024641  33.44590       1.181976  33.58656       1.680532  33.30820       1.662744  -0.000000      0.000000  
1 1 1 -25 0  13 o 76.14344 1.243777  58.10146       1.891230  59.04438       2.717335  57.21558       2.633825  -0.000000      0.000000  
1 1 1 -25 0  14 o 7.902569 1.806878  0.8425559      0.2780583 1.133461       0.3766614 0.4941571      0.4122058 -0.000000      0.000000  
1 1 1 -25 0  15 o 24.46181 0.8414698 6.019639       0.4090274 5.866132       0.5611036 6.193716       0.5975163 -0.000000      0.000000  
1 1 1 -25 0  16 o 76.13247 1.245794  58.10811       1.894566  58.45214       2.694650  57.77179       2.664251  -0.000000      0.000000  
1 1 1 -25 0  17 o 47.51283 0.9296706 22.63161       0.8817797 23.17324       1.259461  22.11086       1.234950  -0.000000      0.000000  
1 1 1 -25 0  18 f 110.7660 1.712598  123.0798       3.789436  121.9903       5.308691  124.2117       5.410916  -0.000000      0.000000  
1 1 1 -25 0  19 o 84.48189 1.358839  71.56838       2.293301  71.71898       3.246187  71.41833       3.240256  -0.000000      0.000000  
1 1 1 -25 0  20 o 50.17959 0.9587392 25.24757       0.9603793 25.13112       1.341610  25.36996       1.375383  -0.000000      0.000000  
1 1 1 -25 0  21 o 103.7315 1.622609  107.9538       3.362632  107.7369       4.759353  108.1699       4.751616  -0.000000      0.000000  
1 1 1 -25 0  22 o 53.67610 1.000251  28.89157       1.072134  29.00513       1.516361  28.77804       1.516094  -0.000000      0.000000  
1 1 1 -25 0  23 f 115.5329 1.785712  133.9556       4.121229  132.6411       5.771533  135.3230       5.886773  -0.000000      0.000000  
1 1 1 -25 0  24 f 68.50974 1.165004  47.02791       1.593282  46.05500       2.207643  48.08558       2.301788  -0.000000      0.000000  
1 1 1 -25 0  25 o 61.03897 1.089466  37.36282       1.328105  37.20919       1.879612  37.51600       1.876840  -0.000000      0.000000  
1 1 1 -25 0  26 o 73.96712 1.236319  54.85324       1.826260  54.20829       2.550531  55.53181       2.616163  -0.000000      0.000000  
1 1 1 -25 0  27 f 81.41901 1.333230  66.49209       2.168397  66.46779       3.059608  66.51662       3.073592  -0.000000      0.000000  
1 1 1 -25 0  28 o 16.42806 1.191857  2.789583       0.3836628 2.891525       0.5371480 2.683409       0.5481825 -0.000000      0.000000  
1 1 1 -25 0  29 o 82.63472 1.351971  68.49967       2.231466  69.18827       3.185916  67.83653       3.126464  -0.000000      0.000000  
1 1 1 -25 0  30 o 12.87809 1.486846  1.766376       0.3559404 1.807766       0.4929039 1.721272       0.5145448 -0.000000      0.000000  
1 1 1 -25 0  31 o 11.05840 1.896473  1.428017       0.3680647 0.9297736      0.5015149 2.009667       0.5418684 -0.000000      0.000000  
1 1 1 -25 0  32 o 51.78477 1.017722  26.90297       1.052168  26.49883       1.477717  27.31855       1.498480  -0.000000      0.000000  
1 1 1 -25 0  33 o 8.841537 2.108907  1.017975       0.3646328 0.6138497      0.5008727 1.473649       0.5318586 -0.000000      0.000000  
1 1 1 -25 0  34 o 7.535621 2.253798  0.8103647      0.3506340 0.9588469      0.4902618 0.6548869      0.5016780 -0.000000      0.000000  
1 1 1 -25 0  35 o 28.63490 0.9524829 8.261359       0.5428382 8.098311       0.7618424 8.429510       0.7736725 -0.000000      0.000000  
1 1 1 -25 0  36 o 94.31542 1.521423  89.27534       2.864059  91.53658       4.155803  87.22980       3.952615  -0.000000      0.000000  
1 1 1 -25 0  37 o 42.79792 0.9758861 18.39571       0.8333287 18.16077       1.168635  18.63877       1.188629  -0.000000      0.000000  
1 1 1 -25 0  38 o 4.525684 2.009861  0.1285488      0.3700176 0.1409377      0.5278608 0.1165804      0.5188242 -0.000000      0.000000  
1 1 1 -25 0  39 o 28.32539 0.9968450 8.091905       0.5614882 8.434017       0.8021554 7.763256       0.7862130 -0.000000      0.000000  
1 1 1 -25 0  40 o 89.37365 1.461912  80.28713       2.610003  79.97890       3.682835  80.59815       3.699423  -0.000000      0.000000  
1 1 1 -25 0  41 o 36.19833 0.9884401 13.13705       0.7119399 14.20911       1.041852  12.19791       0.9751276 -0.000000      0.000000  
1 1 1 -25 0  42 o 31.55954 0.9923646 9.970658       0.6213005 8.912498       0.8429217 11.22940       0.9193478 -0.000000      0.000000  
1 1 1 -25 0  43 o 27.81006 1.032261  7.810289       0.5704048 8.211243       0.8151886 7.425660       0.7984213 -0.000000      0.000000  
1 1 1 -25 0  44 o 6.103171 2.104083  0.3957503      0.3770242 0.9843881      0.5414523 -0.1582917     0.5253000 -0.000000      0.000000  
1 1 1 -25 0  45 o 25.50486 1.099539  6.602727       0.5550929 6.069236       0.7837588 7.139666       0.7862871 -0.000000      0.000000  
1 1 1 -25 0  46 o 67.73610 1.227427  46.06240       1.659166  44.55674       2.292975  47.71708       2.403775  -0.000000      0.000000  
1 1 1 -25 0  47 o 15.50910 1.685006  2.576196       0.4671379 1.950623       0.6341687 3.318297       0.6907129 -0.000000      0.000000  
1 1 1 -25 0  48 o 10.91187 2.298431  1.501331       0.4446279 1.822879       0.6291212 1.180441       0.6284770 -0.000000      0.000000  
1 1 1 -25 0  49 o 41.31012 1.062556  17.13970       0.8741050 15.98677       1.205173  18.41936       1.269691  -0.000000      0.000000  
1 1 1 -25 0  50 o 26.78008 1.130394  7.243336       0.5984664 6.402848       0.8204899 8.198864       0.8748409 -0.000000      0.000000  
1 1 1 -25 0  51 o 61.68370 1.203082  38.26556       1.481220  37.21509       2.063626  39.38191       2.127350  -0.000000      0.000000  
1 1 1 -25 0  52 o 36.52243 1.102238  13.45635       0.8017962 13.13779       1.121176  13.78981       1.147091  -0.000000      0.000000  
1 1 1 -25 0  53 o 21.01550 1.358129  4.552335       0.5614927 4.735988       0.7952255 4.369745       0.7929208 -0.000000      0.000000  
1 1 1 -25 0  54 o 7.829695 2.696324  0.9189374      0.4985027 0.7675674      0.7013339 1.073505       0.7087024 -0.000000      0.000000  
1 1 1 -25 0  55 o 15.88257 3.959974  2.999858       1.087143  2.999858       1.087143  2.999858       1.087143  -0.000000      0.000000  
1 1 1 -25 0  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 1  1  o 55.85844 1.001867  31.24461       1.119202  31.36926       1.577107  31.11814       1.588537  0.2253304      2.003734  
1 1 1 -25 1  2  o 24.27821 0.8341262 5.876908       0.4040727 5.361624       0.5538117 6.463475       0.5908778 -2.267786      1.668252  
1 1 1 -25 1  3  o 45.96997 0.8208400 21.33491       0.7459112 19.73365       1.118647  22.61682       1.000902  -3.140316      1.641680  
1 1 1 -25 1  4  o 50.15421 0.6611174 25.16002       0.6630384 24.70276       0.9271607 25.63862       0.9485614 -0.9323463     1.322235  
1 1 1 -25 1  5  o 113.5882 1.232458  129.2659       2.799752  129.9258       3.979915  128.6194       3.939292  0.5728149      2.464916  
1 1 1 -25 1  6  o 43.35125 0.6130984 18.78934       0.5313635 19.26268       0.7646657 18.34733       0.7389184 1.055023       1.226197  
1 1 1 -25 1  7  o 26.33453 0.5639539 6.927480       0.2967593 7.347548       0.4283783 6.539874       0.4114929 1.533070       1.127908  
1 1 1 -25 1  8  o 46.50587 0.6352299 21.61971       0.5905202 21.07443       0.8188354 22.21064       0.8524202 -1.220634      1.270460  
1 1 1 -25 1  9  o 91.40073 1.020433  83.53174       1.863394  81.25285       2.564900  86.07896       2.711698  -2.633537      2.040866  
1 1 1 -25 1  10 o 83.05603 0.9401134 68.90009       1.558941  66.52463       2.130250  71.63918       2.287491  -3.072533      1.880227  
1 1 1 -25 1  11 o 55.37869 0.7029186 30.68439       0.7785043 30.41354       1.095214  30.96101       1.106820  -0.4939423     1.405837  
1 1 1 -25 1  12 o 91.70674 1.021869  83.97061       1.870169  80.79676       2.545418  87.69363       2.756855  -3.750847      2.043738  
1 1 1 -25 1  13 o 82.24657 0.9342132 67.70250       1.536450  68.53034       2.197805  66.91119       2.148763  0.9823151      1.868426  
1 1 1 -25 1  14 o 50.12531 0.6669604 24.92231       0.6652160 23.06207       0.8875725 27.30645       1.004814  -4.230305      1.333921  
1 1 1 -25 1  15 o 60.53540 0.7466226 36.54062       0.9018354 34.84936       1.225364  38.53930       1.332084  -3.044201      1.493245  
1 1 1 -25 1  16 o 59.95450 0.7426100 35.76055       0.8871366 38.36974       1.326456  33.64897       1.193286  3.932518       1.485220  
1 1 1 -25 1  17 o 32.44398 0.5877943 10.46282       0.3801288 11.65279       0.5629513 9.465534       0.5153621 3.369553       1.175589  
1 1 1 -25 1  18 o 100.4357 1.109103  100.9476       2.226377  103.2745       3.220449  98.81749       3.081304  2.211769       2.218207  
1 1 1 -25 1  19 o 83.17032 0.9468225 69.24212       1.574721  68.57998       2.204486  69.93200       2.250199  -0.8107986     1.893645  
1 1 1 -25 1  20 o 58.47118 0.7352617 34.21104       0.8597851 33.98908       1.208277  34.43870       1.223709  -0.3839417     1.470523  
1 1 1 -25 1  21 o 119.4748 1.296167  143.0096       3.096121  140.8434       4.311008  145.3173       4.449425  -1.863625      2.592334  
1 1 1 -25 1  22 o 41.98080 0.6341122 17.63344       0.5323818 17.67595       0.7572643 17.59191       0.7486135 0.9981537E-01  1.268224  
1 1 1 -25 1  23 o 107.6498 1.181583  116.0603       2.542859  114.1586       3.534656  118.1003       3.660959  -1.823112      2.363167  
1 1 1 -25 1  24 o 88.28416 0.9991542 78.03223       1.763755  79.15652       2.528531  76.96677       2.461473  1.236618       1.998308  
1 1 1 -25 1  25 o 30.47218 0.6203663 9.274247       0.3776620 8.704927       0.5226765 9.896185       0.5462955 -1.953871      1.240733  
1 1 1 -25 1  26 o 73.06732 0.8644668 53.12550       1.257950  56.90110       1.887518  50.10844       1.687294  4.638649       1.728934  
1 1 1 -25 1  27 o 25.55714 0.6484976 6.536933       0.3313909 6.497468       0.4732100 6.574914       0.4642338 -0.1518497     1.296995  
1 1 1 -25 1  28 o 64.74692 0.7985336 41.96339       1.033987  41.57884       1.452350  42.35863       1.472413  -0.6012039     1.597067  
1 1 1 -25 1  29 o 30.05231 0.6370720 9.037207       0.3828627 8.839193       0.5385047 9.239612       0.5444435 -0.6659527     1.274144  
1 1 1 -25 1  30 o 28.13788 0.6511438 7.875295       0.3644919 6.813873       0.4963219 9.117923       0.5370190 -4.092360      1.302288  
1 1 1 -25 1  31 o 33.52106 0.6410195 11.18352       0.4283978 10.08134       0.5833511 12.47378       0.6311613 -3.566422      1.282039  
1 1 1 -25 1  32 o 28.17118 0.6655892 7.873322       0.3728769 6.817554       0.5035366 9.155206       0.5548442 -4.146526      1.331178  
1 1 1 -25 1  33 o 20.16723 0.7393471 4.068624       0.2980815 4.213387       0.4288993 3.933375       0.4145679 0.6933804      1.478694  
1 1 1 -25 1  34 f 70.10133 0.8536135 49.19827       1.196316  48.25651       1.663571  50.20691       1.721614  -1.386971      1.707227  
1 1 1 -25 1  35 o 42.32169 0.6784440 17.64278       0.5694378 20.37304       0.8762089 15.64652       0.7492309 5.576412       1.356888  
1 1 1 -25 1  36 f 32.68253 0.8401771 10.67058       0.5351559 10.84064       0.8626660 10.56419       0.6823146 0.4084625      1.680354  
1 1 1 -25 1  37 o 72.49647 1.254188  52.43416       1.810366  56.60783       2.721872  49.12301       2.424364  5.123672       2.508375  
1 1 1 -25 1  38 o 15.02039 0.9645724 2.275159       0.2876913 1.977070       0.4090950 2.566813       0.4046551 -1.963589      1.929145  
1 1 1 -25 1  39 o 58.69525 0.7773432 34.44538       0.9114682 33.04708       1.252691  36.01848       1.328684  -2.524635      1.554686  
1 1 1 -25 1  40 o 34.06206 0.6858760 11.56115       0.4658180 12.88894       0.6847892 10.41762       0.6355008 3.623676       1.371752  
1 1 1 -25 1  41 o 75.76935 0.9144516 57.54071       1.385079  56.36655       1.922780  58.80716       1.996916  -1.602043      1.828903  
1 1 1 -25 1  42 o 50.59160 0.7391721 25.64685       0.7479060 25.82397       1.061077  25.47197       1.054353  0.3472214      1.478344  
1 1 1 -25 1  43 o 26.39447 0.7488824 6.970650       0.3944247 6.334807       0.5468622 7.660039       0.5694231 -2.508139      1.497765  
1 1 1 -25 1  44 o 35.24279 0.7126082 12.39696       0.5011455 11.34379       0.6864072 13.59918       0.7333755 -3.195019      1.425216  
1 1 1 -25 1  45 o 22.36422 0.8035864 5.013372       0.3593644 4.884524       0.5035409 5.147122       0.5130279 -0.5859795     1.607173  
1 1 1 -25 1  46 o 44.79700 0.7283893 20.09856       0.6522853 19.60320       0.9056032 20.63264       0.9403175 -1.145073      1.456779  
1 1 1 -25 1  47 o 22.20455 0.8443607 4.948054       0.3746023 4.935014       0.5415589 4.960018       0.5187145 -0.5961800E-01 1.688721  
1 1 1 -25 1  48 o 21.22219 0.9072930 4.495783       0.3832300 5.170355       0.5640713 3.917472       0.5222768 2.945154       1.814586  
1 1 1 -25 1  49 o 29.90143 0.7714101 8.970382       0.4611139 8.877913       0.6601918 9.058459       0.6443249 -0.3040981     1.542820  
1 1 1 -25 1  50 o 48.48593 0.7714769 23.58248       0.7480735 23.84783       1.064709  23.32378       1.051290  0.5384178      1.542954  
1 1 1 -25 1  51 o 32.04416 0.7785935 10.28439       0.4983374 9.583422       0.6897949 11.04965       0.7207339 -2.283005      1.557187  
1 1 1 -25 1  52 o 32.75645 0.7893200 10.76300       0.5167932 11.30356       0.7415824 10.25262       0.7205818 1.600491       1.578640  
1 1 1 -25 1  53 o 23.50171 0.9057567 5.527534       0.4233929 4.762506       0.5799296 6.400723       0.6195701 -3.477423      1.811513  
1 1 1 -25 1  54 o 14.58593 1.287081  2.152214       0.3748265 1.999932       0.5280913 2.306818       0.5321009 -1.050795      2.574161  
1 1 1 -25 1  55 o 16.77259 1.740684  2.961648       0.5412935 1.879932       0.7456205 4.166971       0.7870695 -7.009511      3.481369  
1 1 1 -25 1  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 2  1  o 11.57777 0.8285837 1.352615       0.1861037 1.796158       0.2703819 0.9533117      0.2565436 3.639401       1.657167  
1 1 1 -25 2  2  o 81.11547 0.9199827 65.83157       1.491855  67.15742       2.148395  64.59689       2.073216  1.575089       1.839965  
1 1 1 -25 2  3  o 26.80404 0.7157893 7.328378       0.3557518 7.577193       0.4330079 6.811612       0.6240281 1.434240       1.431579  
1 1 1 -25 2  4  o 61.20309 1.066529  37.28218       1.299890  35.16183       1.742838  39.94048       1.951442  -3.893799      2.133059  
1 1 1 -25 2  5  o 42.62551 0.8838598 18.18803       0.7534721 18.27271       1.062654  18.10242       1.068511  0.1999779      1.767720  
1 1 1 -25 2  6  o 38.20096 0.8681851 14.60414       0.6630387 14.50855       0.9232193 14.70596       0.9528385 -0.2572212     1.736370  
1 1 1 -25 2  7  o 89.45610 1.227808  80.12696       2.068348  80.32213       3.593291  80.03026       2.529403  0.1057358      2.455617  
1 1 1 -25 2  8  o 55.77322 0.7005488 31.03522       0.7799958 32.58667       1.146452  29.69819       1.064286  2.586926       1.401098  
1 1 1 -25 2  9  o 64.37328 0.7734855 41.14542       0.9905961 38.47441       1.320897  44.57834       1.497491  -4.735008      1.546971  
1 1 1 -25 2  10 o 52.53666 0.6781281 27.61627       0.7125243 27.74864       1.010433  27.48534       1.004913  0.2504196      1.356256  
1 1 1 -25 2  11 f 54.35099 0.6936545 29.51598       0.7533261 28.61566       1.038555  30.51567       1.094362  -1.746197      1.387309  
1 1 1 -25 2  12 o 28.51902 0.5718014 8.137570       0.3260894 8.193710       0.4579290 8.079819       0.4644604 0.1998444      1.143603  
1 1 1 -25 2  13 o 40.37984 0.6070374 15.98785       0.4850318 14.07721       0.6326005 18.71322       0.7555325 -5.737190      1.214075  
1 1 1 -25 2  14 o 47.37934 0.6489115 22.44643       0.6147086 23.03504       0.8826737 21.89212       0.8565723 1.205383       1.297823  
1 1 1 -25 2  15 o 53.42439 0.6927072 28.38710       0.7375320 30.61585       1.101145  26.57376       0.9932371 3.779648       1.385414  
1 1 1 -25 2  16 o 59.11487 0.7359762 34.88978       0.8687626 33.62143       1.188560  36.34479       1.273015  -2.300648      1.471952  
1 1 1 -25 2  17 o 88.11630 0.9911683 77.64620       1.745124  79.88338       2.535275  75.63176       2.405771  2.406654       1.982337  
1 1 1 -25 2  18 o 40.23583 0.6219401 15.97839       0.4969979 14.27441       0.6579970 18.24183       0.7583621 -4.927326      1.243880  
1 1 1 -25 2  19 o 44.61547 0.6405188 19.90535       0.5713761 20.38646       0.8200644 19.45145       0.7965447 1.047138       1.281038  
1 1 1 -25 2  20 o 59.13914 0.7454302 34.99255       0.8815561 34.53451       1.234005  35.46995       1.259812  -0.7899628     1.490860  
1 1 1 -25 2  21 o 60.20100 0.7530590 36.26579       0.9066313 35.92065       1.272750  36.62133       1.291803  -0.5812531     1.506118  
1 1 1 -25 2  22 f 148.7836 1.589825  222.1595       4.730672  221.2473       6.661144  223.0879       6.719600  -0.6138306     3.179650  
1 1 1 -25 2  23 o 72.46504 0.8588335 52.46998       1.242952  54.35766       1.817167  50.81030       1.703895  2.442566       1.717667  
1 1 1 -25 2  24 o 193.1390 2.043731  375.3817       7.894465  374.9365       11.14981  375.8292       11.17916  -0.2279053     4.087462  
1 1 1 -25 2  25 o 68.16917 0.8236980 46.43195       1.121455  48.10221       1.639158  44.96213       1.537658  2.298599       1.647396  
1 1 1 -25 2  26 o 70.26405 0.8402548 49.41380       1.180569  49.98572       1.689514  48.86810       1.650329  0.7934647      1.680510  
1 1 1 -25 2  27 o 32.00911 0.6298701 10.12694       0.4001529 8.588146       0.5360157 12.06415       0.6014176 -5.427319      1.259740  
1 1 1 -25 2  28 o 42.57280 0.6617247 18.10610       0.5628410 18.84314       0.8192158 17.44713       0.7746106 1.637718       1.323449  
1 1 1 -25 2  29 o 71.38228 0.8576981 50.66292       1.218676  47.49487       1.629511  54.68390       1.835809  -5.023613      1.715396  
1 1 1 -25 2  30 o 62.99258 0.7901431 39.67570       0.9945949 40.99602       1.443916  38.48367       1.371978  1.990170       1.580286  
1 1 1 -25 2  31 o 90.46294 1.027236  81.84904       1.855958  79.17392       2.544653  84.88950       2.712855  -3.146957      2.054472  
1 1 1 -25 2  32 o 13.98935 0.9234824 1.960442       0.2583708 1.981433       0.3665750 1.939719       0.3642195 0.1489325      1.846965  
1 1 1 -25 2  33 o 73.83504 0.8820634 54.29293       1.297390  51.20559       1.742851  58.13009       1.942997  -4.674934      1.764127  
1 1 1 -25 2  34 o 16.20130 0.8597339 2.621501       0.2777275 2.927441       0.4040253 2.347437       0.3823983 1.788422       1.719468  
1 1 1 -25 2  35 o 72.35257 1.225600  52.50056       1.772451  51.22579       2.455444  53.88745       2.561145  -1.827759      2.451200  
1 1 1 -25 2  36 o 63.43929 0.8057420 39.91742       1.015723  43.80629       1.547446  36.97361       1.346354  5.369419       1.611484  
1 1 1 -25 2  37 o 8.181438 1.518953  0.6950049      0.2541377 0.8379825      0.3639465 0.5589477      0.3550294 1.535396       3.037906  
1 1 1 -25 2  38 o 45.35934 0.6996236 20.39651       0.6311228 22.64038       0.9563617 18.66545       0.8400014 4.372952       1.399247  
1 1 1 -25 2  39 o 13.09991 1.074892  1.730512       0.2800193 1.922140       0.3932785 1.533473       0.3987933 1.484135       2.149783  
1 1 1 -25 2  40 o 48.82124 0.7219675 23.81344       0.7039838 22.59820       0.9658179 25.19097       1.028282  -2.650005      1.443935  
1 1 1 -25 2  41 o 68.59000 0.9254671 47.15131       1.255033  47.44705       1.928783  46.93415       1.652781  0.3416290      1.850934  
1 1 1 -25 2  42 o 40.86335 0.8564265 16.90048       0.6652102 16.23351       1.121199  17.26279       0.8263688 -1.292622      1.712853  
1 1 1 -25 2  43 o 26.43178 0.8713472 6.801050       0.4390631 7.677751       0.7630720 6.367145       0.5368307 2.452354       1.742694  
1 1 1 -25 2  44 o 27.69249 0.9541749 7.669110       0.5259824 7.973637       0.7889920 7.425509       0.7056664 0.9782524      1.908350  
1 1 1 -25 2  45 o 50.17723 1.059418  25.25323       1.062298  24.12617       1.468280  26.49121       1.538834  -2.345711      2.118836  
1 1 1 -25 2  46 o 65.96140 1.194742  43.73027       1.574889  42.42712       2.174886  45.16689       2.283542  -2.056313      2.389485  
1 1 1 -25 2  47 o 30.75038 1.012709  9.501382       0.6224516 9.960180       0.8874921 9.057200       0.8732398 1.465742       2.025417  
1 1 1 -25 2  48 o 39.99089 1.024543  16.02412       0.8180356 14.88304       1.122660  17.31575       1.194427  -3.028618      2.049086  
1 1 1 -25 2  49 o 46.50008 1.058678  21.67731       0.9825226 22.79182       1.447664  20.72551       1.337821  2.200844       2.117357  
1 1 1 -25 2  50 o 50.27000 1.085745  25.39281       1.090715  24.22783       1.508201  26.67014       1.579259  -2.414215      2.171491  
1 1 1 -25 2  51 o 37.82689 1.041931  14.39534       0.7879541 13.85317       1.107432  14.95125       1.121370  -1.448547      2.083863  
1 1 1 -25 2  52 o 50.70440 1.107890  25.84822       1.122194  24.46976       1.544936  27.38784       1.632747  -2.855854      2.215780  
1 1 1 -25 2  53 o 26.94730 1.170446  7.292317       0.6292531 8.028767       0.9223368 6.651073       0.8606580 2.540319       2.340892  
1 1 1 -25 2  54 o 10.26595 2.013568  1.025956       0.4856394 1.855738       0.6969060 0.2426280      0.6771172 5.925352       4.027137  
1 1 1 -25 2  55 o 24.32223 1.251681  6.014734       0.6052089 6.627254       0.8447252 5.368714       0.8675191 2.594385       2.503363  
1 1 1 -25 2  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 3  1  o 24.23861 0.5745887 5.808531       0.2761156 7.016164       0.4138923 4.840059       0.3706494 4.487715       1.149177  
1 1 1 -25 3  2  f 90.07574 1.004602  81.14310       1.808051  83.49737       2.627862  79.02678       2.491523  2.475052       2.009204  
1 1 1 -25 3  3  o 85.96327 0.9659583 73.93374       1.659829  75.55408       2.395854  72.43827       2.301682  1.808037       1.931917  
1 1 1 -25 3  4  o 87.02365 0.9756922 75.81681       1.698016  75.23550       2.382413  76.41698       2.420762  -0.6771011     1.951384  
1 1 1 -25 3  5  o 58.31413 0.7214849 34.02489       0.8414046 33.73550       1.182016  34.32217       1.197996  -0.5024948     1.442970  
1 1 1 -25 3  6  o 125.7715 1.664343  158.9388       3.946738  159.3284       4.837245  158.1630       6.826091  0.6109161      3.328686  
1 1 1 -25 3  7  o 54.73355 1.002669  29.93329       1.096336  31.33894       1.597711  28.68246       1.507156  2.422653       2.005337  
1 1 1 -25 3  8  o 89.98012 1.432660  81.15843       2.577767  80.33436       3.605333  82.02029       3.687067  -0.9315796     2.865321  
1 1 1 -25 3  9  o 105.9859 1.649586  112.7164       3.496609  112.6107       4.930952  112.8233       4.959071  -0.9822083E-01 3.299172  
1 1 1 -25 3  10 f 77.37431 1.087009  60.64731       1.609479  57.52006       2.664534  62.44379       2.019533  -3.212601      2.174018  
1 1 1 -25 3  11 o 42.84377 0.6164714 18.35795       0.5281403 18.74276       0.7556643 17.99048       0.7384399 0.8774605      1.232943  
1 1 1 -25 3  12 o 104.9426 1.150250  109.9176       2.407267  105.4074       3.259093  115.3324       3.571031  -4.712715      2.300501  
1 1 1 -25 3  13 o 41.07808 0.6138625 16.84847       0.5038019 17.66669       0.7328924 16.11544       0.6936898 1.887089       1.227725  
1 1 1 -25 3  14 o 55.26402 0.7051287 30.18915       0.7734620 27.68219       1.019994  33.58117       1.186464  -5.331795      1.410257  
1 1 1 -25 3  15 o 103.9455 1.141943  108.2057       2.373642  109.4042       3.392525  107.0564       3.322252  1.125725       2.283886  
1 1 1 -25 3  16 o 67.12096 0.8037454 44.91480       1.076220  47.48941       1.592886  42.75239       1.459814  3.523849       1.607491  
1 1 1 -25 3  17 o 14.12790 0.8248494 1.976223       0.2257393 1.366561       0.3019929 2.748245       0.3398342 -4.888514      1.649699  
1 1 1 -25 3  18 f 55.64125 0.7119476 30.91054       0.7911539 32.26668       1.157097  29.71994       1.084181  2.286102       1.423895  
1 1 1 -25 3  19 o 39.66109 0.6187376 15.51774       0.4872826 17.79510       0.7440568 13.80746       0.6447961 5.024220       1.237475  
1 1 1 -25 3  20 o 24.56370 0.6196276 6.037542       0.3043008 5.835191       0.4291692 6.242128       0.4315330 -0.8282585     1.239255  
1 1 1 -25 3  21 o 67.20494 0.8096201 44.86110       1.082521  48.52033       1.635960  42.01096       1.443814  4.835136       1.619240  
1 1 1 -25 3  22 o 49.60859 0.6820042 24.52057       0.6749841 26.14764       0.9985514 23.15159       0.9159338 3.016773       1.364008  
1 1 1 -25 3  23 o 144.7166 1.549473  210.0783       4.482828  206.7822       6.232984  213.6102       6.452039  -2.341110      3.098945  
1 1 1 -25 3  24 o 39.34310 0.6334919 15.22054       0.4940397 17.72349       0.7617878 13.40369       0.6490343 5.486050       1.266984  
1 1 1 -25 3  25 o 62.95235 0.7804059 39.56663       0.9810196 37.93613       1.342058  41.43755       1.437607  -2.776905      1.560812  
1 1 1 -25 3  26 o 51.80537 0.7024120 26.64489       0.7239916 28.93309       1.094112  24.86252       0.9656386 3.923595       1.404824  
1 1 1 -25 3  27 o 52.37786 0.7058800 27.41358       0.7387047 28.41561       1.074604  26.51585       1.017136  1.811100       1.411760  
1 1 1 -25 3  28 o 14.17459 0.8842559 2.012520       0.2501844 2.004482       0.3650905 2.019637       0.3435222 -0.5468559E-01 1.768512  
1 1 1 -25 3  29 o 52.44639 0.7165937 27.51852       0.7513927 28.10185       1.080239  26.97174       1.045854  1.075684       1.433187  
1 1 1 -25 3  30 o 26.20972 0.6576432 6.877642       0.3438127 6.232903       0.4813198 7.549348       0.4912825 -2.510912      1.315286  
1 1 1 -25 3  31 o 53.94267 0.7221476 29.12865       0.7790829 28.95952       1.101404  29.29803       1.102175  -0.3137283     1.444295  
1 1 1 -25 3  32 o 59.76880 0.7690085 35.65034       0.9174901 33.89859       1.251007  37.68925       1.349655  -3.165302      1.538017  
1 1 1 -25 3  33 o 35.35303 0.6589119 12.50340       0.4652394 11.61024       0.6493855 13.44527       0.6668582 -2.594345      1.317824  
1 1 1 -25 3  34 o 68.98042 1.180030  47.72852       1.627678  46.96631       2.275285  48.52744       2.329440  -1.126091      2.360059  
1 1 1 -25 3  35 o 57.18491 0.9285389 31.26902       0.9675235 36.42787       1.846365  29.31623       1.135979  6.158123       1.857078  
1 1 1 -25 3  36 o 46.71900 0.9620779 21.76506       0.8963227 20.32173       1.212609  23.50347       1.330802  -3.393841      1.924156  
1 1 1 -25 3  37 o 52.18579 1.013246  27.06455       1.051795  29.75721       1.592227  24.97987       1.400984  4.556988       2.026492  
1 1 1 -25 3  38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 3  39 f 33.41124 0.9255895 11.19321       0.6182402 10.75745       0.8693439 11.63909       0.8793901 -1.318321      1.851179  
1 1 1 -25 3  40 o 25.17088 0.9768208 6.342767       0.4911617 6.775177       0.7123644 5.950935       0.6781157 1.633253       1.953642  
1 1 1 -25 3  41 o 26.43290 0.9682052 6.996460       0.5109356 6.432417       0.7067602 7.613960       0.7394949 -2.230917      1.936410  
1 1 1 -25 3  42 o 25.75888 0.8762859 6.786801       0.4365321 7.248282       0.5621530 6.085837       0.6928281 2.271559       1.752572  
1 1 1 -25 3  43 o 30.11300 0.8590460 9.243033       0.4979186 9.692326       0.6330418 8.514132       0.8063100 1.976416       1.718092  
1 1 1 -25 3  44 o 8.708591 1.621778  0.7980847      0.3048002 1.150557       0.4192467 0.4029127      0.4439154 3.588563       3.243556  
1 1 1 -25 3  45 f 45.43053 0.7321103 20.68063       0.6651226 20.29089       0.9326198 21.08405       0.9488409 -0.8711815     1.464221  
1 1 1 -25 3  46 f 15.43772 1.060028  2.383822       0.3254175 2.769624       0.4771289 2.048271       0.4449717 2.330856       2.120056  
1 1 1 -25 3  47 o 46.16982 0.7408603 21.36164       0.6839036 20.79847       0.9536018 21.95809       0.9813671 -1.252232      1.481721  
1 1 1 -25 3  48 f 23.55938 0.8314621 5.512851       0.3893085 6.457502       0.5818560 4.747202       0.5238345 3.621269       1.662924  
1 1 1 -25 3  49 o 39.43193 0.7378084 15.53835       0.5808293 14.45410       0.7958634 16.77396       0.8496009 -2.934361      1.475617  
1 1 1 -25 3  50 o 40.07705 0.7468053 16.09677       0.5983183 15.51679       0.8322006 16.71734       0.8608248 -1.493595      1.493611  
1 1 1 -25 3  51 o 43.67995 0.7632086 19.06298       0.6653315 17.67774       0.9082642 20.66705       0.9773742 -3.411121      1.526417  
1 1 1 -25 3  52 o 32.70866 0.7847879 10.73622       0.5132114 10.34731       0.7188687 11.14047       0.7329160 -1.209999      1.569576  
1 1 1 -25 3  53 o 22.91548 0.9069669 5.260848       0.4147047 5.791654       0.6044832 4.788880       0.5699971 2.181023       1.813934  
1 1 1 -25 3  54 o 23.49482 1.225052  5.571811       0.5737103 4.974217       0.7980577 6.210939       0.8253267 -2.623999      2.450104  
1 1 1 -25 3  55 o 13.75404 1.830439  1.996026       0.4850330 2.004922       0.6849108 1.987075       0.6869743 0.6615925E-01  3.660878  
1 1 1 -25 3  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 4  1  o 49.44370 0.9623014 24.37397       0.9490612 23.09762       1.286039  25.90034       1.406368  -2.828449      1.924603  
1 1 1 -25 4  2  o 52.04764 0.7815337 27.02444       0.8121271 28.66920       1.191916  25.59916       1.109545  2.946110       1.563067  
1 1 1 -25 4  3  o 27.35863 0.5641792 7.486890       0.3086614 7.561869       0.4409186 7.414835       0.4322370 0.2684822      1.128358  
1 1 1 -25 4  4  o 124.6109 1.341180  155.6354       3.342242  154.5321       4.690996  156.7729       4.763117  -0.8945847     2.682359  
1 1 1 -25 4  5  o 126.5469 1.361207  160.5143       3.444822  159.3703       4.833221  161.6956       4.911140  -0.9138107     2.722415  
1 1 1 -25 4  6  o 91.42238 1.018322  83.67578       1.861677  84.67440       2.660569  82.71777       2.605901  1.067543       2.036644  
1 1 1 -25 4  7  o 70.21214 0.8233666 49.30029       1.155522  48.23007       1.601059  50.46381       1.669391  -1.588142      1.646733  
1 1 1 -25 4  8  o 50.65321 0.6631160 25.67042       0.6717586 25.90286       0.9543394 25.44215       0.9457392 0.4545135      1.326232  
1 1 1 -25 4  9  o 42.07628 0.6112909 17.70289       0.5142417 18.35215       0.7362408 17.08441       0.7185760 1.505993       1.222582  
1 1 1 -25 4  10 o 85.11256 1.185722  72.53918       1.893999  72.47726       2.308777  72.66660       3.311965  -0.5821228E-01 2.371445  
1 1 1 -25 4  11 o 23.04349 0.9055123 5.316814       0.4170893 5.276666       0.5987146 5.354671       0.5813743 -0.1699657     1.811025  
1 1 1 -25 4  12 o 69.57697 1.179957  48.49583       1.641952  48.44225       2.318659  48.54972       2.325497  -0.7686615E-01 2.359914  
1 1 1 -25 4  13 o 128.7278 1.973016  166.1303       5.069221  160.5589       6.908924  172.6272       7.460759  -4.638031      3.946032  
1 1 1 -25 4  14 o 32.70759 0.7549194 10.95502       0.4598248 10.00376       0.7960755 11.43130       0.5632970 -2.190088      1.509839  
1 1 1 -25 4  15 o 60.93133 0.7513480 37.15144       0.9155812 36.90921       1.288325  37.39864       1.301430  -0.4011688     1.502696  
1 1 1 -25 4  16 o 51.30151 0.6811473 26.14170       0.6958473 28.41706       1.045335  24.33118       0.9324627 3.978653       1.362295  
1 1 1 -25 4  17 f 62.73527 0.7678031 39.30039       0.9619363 37.85618       1.317310  40.95024       1.407979  -2.462700      1.535606  
1 1 1 -25 4  18 o 32.56200 0.5985594 10.42858       0.3864641 12.36651       0.5913968 8.984242       0.5105565 5.191269       1.197119  
1 1 1 -25 4  19 o 56.53502 0.7225059 31.98292       0.8169078 31.71604       1.149338  32.25539       1.161319  -0.4765816     1.445012  
1 1 1 -25 4  20 o 62.11749 0.7665337 38.42377       0.9491003 40.93243       1.414771  36.37090       1.279814  3.666515       1.533067  
1 1 1 -25 4  21 o 52.11084 0.6939778 27.17395       0.7232678 27.34243       1.025098  27.00694       1.020627  0.3217354      1.387956  
1 1 1 -25 4  22 o 137.1888 1.474042  188.8181       4.044440  188.8635       5.722164  188.7728       5.717244  0.3266907E-01  2.948083  
1 1 1 -25 4  23 o 50.56241 0.6850414 25.55837       0.6923233 26.29834       1.000743  24.87914       0.9587902 1.401867       1.370083  
1 1 1 -25 4  24 o 48.71495 0.6771448 23.71359       0.6592039 24.61957       0.9561140 22.89272       0.9100976 1.770699       1.354290  
1 1 1 -25 4  25 o 47.01908 0.6674283 22.08978       0.6270378 22.88049       0.9114684 21.37935       0.8639678 1.594532       1.334857  
1 1 1 -25 4  26 o 64.54993 0.7951624 41.65757       1.025654  42.93054       1.488931  40.50806       1.414888  1.873009       1.590325  
1 1 1 -25 4  27 o 83.39203 0.9592825 69.40424       1.595547  72.91975       2.364613  66.46570       2.161879  3.857567       1.918565  
1 1 1 -25 4  28 o 52.72658 0.7691367 27.82324       0.8018516 27.89220       1.230980  27.77242       1.056819  0.1045799      1.538273  
1 1 1 -25 4  29 o 35.90158 0.7524369 12.25055       0.5017427 14.66105       0.9294161 11.25910       0.5960616 4.720306       1.504874  
1 1 1 -25 4  30 o 61.21326 1.079075  37.53624       1.320675  36.69873       1.840432  38.42533       1.896254  -1.406101      2.158149  
1 1 1 -25 4  31 o 9.653460 1.618314  0.9772562      0.3114218 1.220858       0.4412230 0.7354268      0.4396152 2.377152       3.236628  
1 1 1 -25 4  32 o 38.61103 0.8860732 14.81445       0.6814644 13.50505       0.9162189 16.43571       1.019507  -3.787838      1.772146  
1 1 1 -25 4  33 o 42.65199 0.9096133 18.22650       0.7759066 18.00629       1.093127  18.45009       1.101517  -0.5196190     1.819227  
1 1 1 -25 4  34 o 57.38327 1.048658  33.01017       1.203241  33.38850       1.723444  32.65040       1.680642  0.6391907      2.097316  
1 1 1 -25 4  35 o 67.44478 1.014995  45.43396       1.293109  45.07103       1.583683  46.15995       2.239857  -0.7449265     2.029991  
1 1 1 -25 4  36 o 39.27416 0.7106839 15.46982       0.5552235 17.56335       0.7939919 13.46647       0.7767026 5.214500       1.421368  
1 1 1 -25 4  37 o 46.37494 0.7015973 21.53758       0.6507257 21.47680       0.9180963 21.59893       0.9224492 -0.1313629     1.403195  
1 1 1 -25 4  38 o 7.038094 1.559228  0.4739327      0.2569029 0.2425707      0.3653559 0.7001975      0.3613089 -2.308355      3.118457  
1 1 1 -25 4  39 o 7.977787 1.571198  0.6594981      0.2600542 0.6961752      0.3731774 0.6248716      0.3625951 0.3984876      3.142396  
1 1 1 -25 4  40 o 36.69520 0.6823035 13.48712       0.5006815 13.19993       0.7060415 13.77764       0.7101175 -0.7868309     1.364607  
1 1 1 -25 4  41 o 46.24637 0.7119453 21.38367       0.6578248 20.30679       0.9071222 22.57812       0.9553607 -2.451187      1.423891  
1 1 1 -25 4  42 o 41.37650 0.7001328 17.12917       0.5789774 17.81662       0.8377829 16.50068       0.8010473 1.586720       1.400266  
1 1 1 -25 4  43 o 34.43428 0.7073590 11.74866       0.4841259 10.18801       0.6492567 13.70308       0.7265617 -5.096405      1.414718  
1 1 1 -25 4  44 o 21.97629 0.8121959 4.843721       0.3568085 5.030460       0.5056710 4.658551       0.5035426 0.8459072      1.624392  
1 1 1 -25 4  45 o 24.36948 0.7832032 5.937044       0.3804860 5.296400       0.5241953 6.650413       0.5531483 -2.774689      1.566406  
1 1 1 -25 4  46 o 29.65649 0.7349147 8.821847       0.4356762 8.603982       0.6207340 9.033378       0.6116449 -0.7250557     1.469829  
1 1 1 -25 4  47 o 17.21619 0.9590228 2.984695       0.3281101 2.573314       0.4599470 3.410969       0.4681984 -2.431370      1.918046  
1 1 1 -25 4  48 o 22.91527 0.8322313 5.285446       0.3799570 4.783873       0.5397929 5.778005       0.5349208 -2.169861      1.664463  
1 1 1 -25 4  49 f 24.30834 0.8239708 5.930893       0.3996515 5.407818       0.5593995 6.476212       0.5711695 -2.195787      1.647942  
1 1 1 -25 4  50 o 29.16065 0.7861894 8.531587       0.4584598 8.721244       0.6525356 8.346708       0.6442636 0.6409016      1.572379  
1 1 1 -25 4  51 f 38.77079 0.7577810 15.07526       0.5874386 14.63084       0.8210106 15.54145       0.8408728 -1.171207      1.515562  
1 1 1 -25 4  52 o 28.04527 0.8331679 7.862525       0.4644270 9.185250       0.6807126 6.710615       0.6352406 4.403471       1.666336  
1 1 1 -25 4  53 o 15.93241 1.261529  2.600370       0.3940403 2.350909       0.6030489 2.786229       0.5205280 -1.389373      2.523058  
1 1 1 -25 4  54 o 16.68785 1.520247  2.835704       0.5051513 2.525156       0.7125143 3.149546       0.7162842 -1.869407      3.040493  
1 1 1 -25 4  55 o 9.382702 2.156101  0.8748494      0.4650091 0.7315196      0.6382249 1.037032       0.6789029 -1.236469      4.312202  
1 1 1 -25 4  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 5  1  o 104.1664 1.139299  108.4024       2.368108  104.3983       3.220629  113.1153       3.494080  -4.168045      2.278599  
1 1 1 -25 5  2  o 27.64821 0.5500549 7.584716       0.3027321 8.673717       0.4502135 6.685954       0.4090029 3.593594       1.100110  
1 1 1 -25 5  3  o 76.73152 0.8795010 58.87944       1.348639  57.47881       1.862933  60.42178       1.954916  -1.913689      1.759002  
1 1 1 -25 5  4  o 118.2531 1.278381  140.1460       3.023341  139.4687       4.254049  140.8374       4.297583  -0.5760040     2.556762  
1 1 1 -25 5  5  o 77.26454 0.8851575 59.74181       1.367456  58.96647       1.907434  60.56168       1.961447  -1.030022      1.770315  
1 1 1 -25 5  6  o 99.39514 1.565604  99.11426       3.112141  98.76218       4.378454  99.47377       4.424371  -0.3545609     3.131207  
1 1 1 -25 5  7  o 56.02874 0.7060443 31.15660       0.7870469 29.02344       1.049582  33.89699       1.189631  -4.344517      1.412089  
1 1 1 -25 5  8  o 64.53064 0.7754799 41.62727       1.000040  40.54506       1.380996  42.82045       1.450070  -1.760536      1.550960  
1 1 1 -25 5  9  o 53.95696 0.6916064 29.02295       0.7446988 30.77412       1.098655  27.53452       1.012892  2.999279       1.383213  
1 1 1 -25 5  10 o 62.71799 0.7628039 39.27635       0.9552531 37.90065       1.306227  40.85795       1.400566  -2.354290      1.525608  
1 1 1 -25 5  11 o 94.23273 1.047938  88.91807       1.974880  89.57225       2.811961  88.28132       2.774224  0.6831360      2.095877  
1 1 1 -25 5  12 f 49.82672 0.6662098 24.65487       0.6609038 22.94826       0.8847187 26.80973       0.9941394 -3.871517      1.332420  
1 1 1 -25 5  13 o 56.52956 0.7175598 31.95967       0.8109741 31.33705       1.128518  32.62455       1.166191  -1.137524      1.435120  
1 1 1 -25 5  14 o 126.3926 1.687796  158.6312       3.949018  155.8780       4.737673  164.8985       7.147981  -3.380821      3.375592  
1 1 1 -25 5  15 o 80.26546 1.319791  64.46038       2.116042  66.80560       3.087584  62.38324       2.905757  2.743484       2.639582  
1 1 1 -25 5  16 o 102.6582 1.615107  105.7444       3.315662  104.8805       4.645329  106.6415       4.734040  -0.8508377     3.230214  
1 1 1 -25 5  17 o 62.85027 1.113562  39.46297       1.397427  41.37844       2.049866  37.79989       1.910053  2.839317       2.227124  
1 1 1 -25 5  18 o 20.27084 0.8624894 3.943652       0.3175542 4.518410       0.6074004 3.727463       0.3725194 1.941004       1.724979  
1 1 1 -25 5  19 o 58.18055 0.9129351 34.37838       1.009398  32.28081       1.691702  35.53802       1.257844  -2.818916      1.825870  
1 1 1 -25 5  20 o 73.94724 0.8667686 54.72582       1.281608  55.46809       1.836429  54.02106       1.789418  0.9763107      1.733537  
1 1 1 -25 5  21 f 112.0253 1.224516  125.4164       2.737262  120.7457       3.722581  130.9144       4.038882  -4.518044      2.449032  
1 1 1 -25 5  22 o 29.90975 0.6048204 8.948943       0.3617550 8.827849       0.5067034 9.074833       0.5166389 -0.4125576     1.209641  
1 1 1 -25 5  23 o 56.83326 0.7324516 32.31813       0.8323773 32.73811       1.192013  31.91846       1.162848  0.7199211      1.464903  
1 1 1 -25 5  24 o 37.35178 0.7372317 13.39797       0.5140969 15.52893       0.9375209 12.48167       0.6147690 4.065891       1.474463  
1 1 1 -25 5  25 f 104.7075 1.627273  110.0093       3.405071  112.6164       4.934332  107.6390       4.704857  2.355141       3.254546  
1 1 1 -25 5  26 o 77.24403 1.260930  59.83046       1.947955  60.00582       2.764091  59.65742       2.745650  0.2240906      2.521859  
1 1 1 -25 5  27 o 102.0321 1.594238  104.4045       3.248290  108.0050       4.754455  101.2527       4.448359  3.276588       3.188476  
1 1 1 -25 5  28 o 10.63076 1.426613  1.164329       0.2954239 0.9410444      0.4164847 1.390440       0.4191126 -2.285005      2.853226  
1 1 1 -25 5  29 o 42.04894 0.7775148 17.68318       0.6282513 17.63347       0.7856748 17.77133       1.046232  -0.1498756     1.555030  
1 1 1 -25 5  30 o 25.82402 0.7838573 6.876637       0.3914139 7.715838       0.5135144 5.713028       0.6046766 3.882790       1.567715  
1 1 1 -25 5  31 f 24.67415 0.6834396 6.107480       0.3365218 5.807602       0.4840731 6.387957       0.4681534 -1.176876      1.366879  
1 1 1 -25 5  32 o 8.325510 1.611338  0.6932486      0.2980864 0.3027011      0.4185596 1.095190       0.4246214 -3.841442      3.222676  
1 1 1 -25 5  33 o 21.19439 0.7363852 4.497838       0.3097682 3.788692       0.4293337 5.267853       0.4473802 -3.488379      1.472770  
1 1 1 -25 5  34 o 21.50797 0.7271140 4.628680       0.3114220 4.065441       0.4323603 5.235949       0.4489422 -2.720009      1.454228  
1 1 1 -25 5  35 o 40.11863 0.6670288 16.08927       0.5347652 15.30814       0.7400558 16.94282       0.7736036 -2.035084      1.334058  
1 1 1 -25 5  36 o 32.35540 0.6655844 10.47924       0.4306330 10.65600       0.6159240 10.31021       0.6023179 0.5334206      1.331169  
1 1 1 -25 5  37 o 66.58340 0.8331858 44.39736       1.109055  45.38975       1.597159  43.47328       1.541218  1.434174       1.666372  
1 1 1 -25 5  38 o 42.19774 0.6898719 17.76245       0.5810593 16.55716       0.7933360 19.15728       0.8534352 -3.076199      1.379744  
1 1 1 -25 5  39 o 16.13500 1.212024  2.679731       0.3720022 2.844339       0.4680499 2.397405       0.6129727 1.405472       2.424049  
1 1 1 -25 5  40 o 58.92364 0.7858330 34.74769       0.9253533 33.56575       1.278047  36.05003       1.341557  -2.101727      1.571666  
1 1 1 -25 5  41 o 50.85822 0.7397529 25.91910       0.7524358 25.70746       1.063131  26.13150       1.065081  -0.4166870     1.479506  
1 1 1 -25 5  42 o 60.83196 0.8043032 36.98144       0.9767637 35.21534       1.333019  39.02911       1.435356  -3.123444      1.608606  
1 1 1 -25 5  43 o 53.27790 0.7591882 28.42459       0.8084995 29.23895       1.167740  27.67478       1.120504  1.462814       1.518376  
1 1 1 -25 5  44 f 44.13143 0.7257237 19.51051       0.6404039 18.98423       0.8961107 20.05985       0.9155377 -1.216587      1.451447  
1 1 1 -25 5  45 o 11.22424 1.373243  1.288969       0.3015569 1.303792       0.4388955 1.275714       0.4150357 -0.5699253E-01 2.746485  
1 1 1 -25 5  46 o 17.64500 0.9742790 3.140849       0.3390837 2.504412       0.4719737 3.819778       0.4874754 -3.724751      1.948558  
1 1 1 -25 5  47 o 25.68618 0.7859858 6.616695       0.4037354 6.722649       0.5760542 6.514404       0.5660143 0.4039745      1.571972  
1 1 1 -25 5  48 f 36.10662 0.7477419 13.07569       0.5398592 12.78235       0.7639022 13.36838       0.7630510 -0.8116341     1.495484  
1 1 1 -25 5  49 o 13.90054 1.209257  1.941907       0.3346241 2.218141       0.4867243 1.694316       0.4607992 1.878228       2.418514  
1 1 1 -25 5  50 o 54.32188 0.7987354 29.58396       0.8673032 28.63774       1.202849  30.60862       1.251714  -1.806282      1.597471  
1 1 1 -25 5  51 o 12.24133 1.380968  1.544136       0.3290869 1.637178       0.4539693 1.441096       0.4777381 0.9834957      2.761936  
1 1 1 -25 5  52 o 23.31209 0.9532081 5.500822       0.4384893 5.228594       0.6679161 5.707022       0.5813017 -1.044220      1.906416  
1 1 1 -25 5  53 o 30.83590 1.088151  9.558195       0.6702046 10.06234       0.9786463 9.112931       0.9197205 1.524714       2.176302  
1 1 1 -25 5  54 o 18.73754 1.372323  3.492061       0.5077083 2.811849       0.6730814 4.389976       0.7733270 -4.177019      2.744646  
1 1 1 -25 5  55 f 8.926798 2.211494  0.7403560      0.4889257 0.7164674      0.6955039 0.7636949      0.6874570 -0.1462793     4.422988  
1 1 1 -25 5  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 6  1  o 25.22355 0.5296357 6.353249       0.2669200 6.099473       0.3676444 6.636127       0.3881538 -1.063217      1.059271  
1 1 1 -25 6  2  o 40.39960 0.5886441 16.12458       0.4721753 14.67376       0.6235865 18.07418       0.7228745 -4.205402      1.177288  
1 1 1 -25 6  3  o 52.19828 0.6681998 27.26451       0.6975747 27.33139       0.9860001 27.19748       0.9870401 0.1283073      1.336400  
1 1 1 -25 6  4  o 123.5441 1.331462  153.0125       3.289733  152.2750       4.625995  153.7671       4.679231  -0.6002960     2.662924  
1 1 1 -25 6  5  o 63.93315 0.7674912 40.83834       0.9801853 39.55004       1.346654  42.28990       1.429429  -2.139580      1.534982  
1 1 1 -25 6  6  o 66.83621 0.7936451 44.57983       1.058819  46.73983       1.557828  42.72526       1.443494  2.998817       1.587290  
1 1 1 -25 6  7  o 106.6998 1.166787  113.9964       2.488747  112.0459       3.456539  116.0960       3.586284  -1.890526      2.333573  
1 1 1 -25 6  8  o 60.59828 0.7437961 36.59943       0.8989880 38.72435       1.332861  34.82597       1.217657  3.212437       1.487592  
1 1 1 -25 6  9  o 103.0158 1.621228  106.1317       3.330888  101.8569       4.512096  111.2512       4.937811  -4.526436      3.242457  
1 1 1 -25 6  10 o 109.5030 1.194615  120.1303       2.616104  121.0324       3.725892  119.2530       3.674110  0.8095169      2.389231  
1 1 1 -25 6  11 o 47.82341 0.6503965 22.52932       0.6165454 20.30310       0.8087084 25.61915       0.9527434 -5.553497      1.300793  
1 1 1 -25 6  12 o 75.23500 0.8726344 56.65058       1.312871  56.02797       1.838180  57.29890       1.875751  -0.8430634     1.745269  
1 1 1 -25 6  13 o 62.09515 0.7591415 38.43588       0.9403067 36.58515       1.274692  40.64521       1.392722  -3.264900      1.518283  
1 1 1 -25 6  14 o 14.90915 0.7202790 2.214030       0.2138916 1.948641       0.2926374 2.518425       0.3134061 -1.910123      1.440558  
1 1 1 -25 6  15 o 34.47806 0.5868849 11.83698       0.4037032 11.06172       0.5483409 12.75455       0.5965454 -2.453548      1.173770  
1 1 1 -25 6  16 o 47.39399 0.6574742 22.43581       0.6225050 23.29609       0.9070571 21.66986       0.8558803 1.713966       1.314948  
1 1 1 -25 6  17 o 38.29083 0.6096916 14.57265       0.4653606 16.03893       0.6919175 13.36156       0.6288345 3.494156       1.219383  
1 1 1 -25 6  18 o 96.47992 1.163747  93.20112       2.218177  92.84084       2.915420  93.69640       3.418175  -0.4132309     2.327494  
1 1 1 -25 6  19 o 24.48920 0.7990996 5.680748       0.3554783 5.277796       0.4158122 6.774957       0.6852054 -3.045506      1.598199  
1 1 1 -25 6  20 o 105.3109 2.346086  0.000000       0.000000  ?              ?         111.3654       4.941367  ?              ?         
1 1 1 -25 6  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 6  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 6  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 6  24 o 9.070518 2.155845  0.000000       0.000000  ?              ?         0.8592361      0.3858606 ?              ?         
1 1 1 -25 6  25 o 103.8612 1.628398  108.2491       3.378160  110.6520       4.925219  106.1144       4.642210  2.155991       3.256796  
1 1 1 -25 6  26 o 89.35094 1.014331  79.94946       1.811914  81.35725       2.606934  78.63387       2.520138  1.518143       2.028661  
1 1 1 -25 6  27 o 42.53556 0.6515392 18.10638       0.5542336 17.80952       0.7802228 18.40876       0.7874362 -0.7040672     1.303078  
1 1 1 -25 6  28 f 73.45743 0.8755152 54.04169       1.286258  53.89906       1.816587  54.18510       1.821511  -0.1943970     1.751030  
1 1 1 -25 6  29 o 22.19137 0.6761355 4.933356       0.2998238 4.775943       0.4283004 5.084624       0.4198553 -0.6959019     1.352271  
1 1 1 -25 6  30 f 27.87793 0.6538280 7.775739       0.3638491 7.829160       0.5321143 7.728828       0.4986363 0.1782894      1.307656  
1 1 1 -25 6  31 o 26.02532 0.7626562 6.340771       0.3777198 8.249631       0.6718830 5.458706       0.4567270 5.348543       1.525312  
1 1 1 -25 6  32 o 41.70412 0.6632075 17.37655       0.5525869 18.17958       0.8042223 16.65835       0.7605565 1.821381       1.326415  
1 1 1 -25 6  33 o 30.02497 0.6591495 8.990258       0.3944188 7.984308       0.5412753 10.12910       0.5759204 -3.569654      1.318299  
1 1 1 -25 6  34 o 73.22281 0.8828462 53.56377       1.290190  51.28804       1.756759  56.22847       1.900972  -3.361275      1.765692  
1 1 1 -25 6  35 o 48.83698 0.7052982 23.84518       0.6882741 22.92958       0.9492416 24.86016       0.9994297 -1.972904      1.410596  
1 1 1 -25 6  36 o 26.20684 0.6889992 6.861347       0.3606938 7.243553       0.5256824 6.521328       0.4958224 1.375765       1.377998  
1 1 1 -25 6  37 o 35.25805 0.6724759 12.45223       0.4740345 12.08597       0.6710832 12.81697       0.6696912 -1.036747      1.344952  
1 1 1 -25 6  38 f 43.52887 0.6963513 18.82845       0.6035516 20.61152       0.9070658 17.41181       0.8085120 3.667381       1.392703  
1 1 1 -25 6  39 o 50.74723 1.086502  25.75196       1.100410  24.12146       1.499158  27.65667       1.620325  -3.466915      2.173004  
1 1 1 -25 6  40 o 14.32141 1.072278  2.116571       0.2953675 1.463292       0.4198200 2.756895       0.4156369 -4.516888      2.144557  
1 1 1 -25 6  41 o 52.89548 0.7561533 28.04047       0.7999192 27.75634       1.129571  28.32631       1.132950  -0.5384293     1.512307  
1 1 1 -25 6  42 o 82.41685 0.9781612 68.12783       1.611544  66.56573       2.236529  69.81470       2.324131  -1.959160      1.956322  
1 1 1 -25 6  43 o 28.58478 0.7438866 8.149984       0.4213064 6.704644       0.5752399 9.822369       0.6187737 -5.448786      1.487773  
1 1 1 -25 6  44 f 57.60368 0.8606192 33.42559       0.9855132 34.80255       1.339617  31.80129       1.454970  2.619823       1.721238  
1 1 1 -25 6  45 o 9.884469 1.506686  1.010994       0.2984453 0.6398703      0.4135164 1.414478       0.4311675 -3.927109      3.013373  
1 1 1 -25 6  46 f 31.22158 0.7443280 9.774868       0.4643961 9.254117       0.6525335 10.30932       0.6610599 -1.688744      1.488656  
1 1 1 -25 6  47 o 20.02336 0.9232159 4.038941       0.3652813 3.268962       0.5081733 4.862106       0.5254306 -3.975433      1.846432  
1 1 1 -25 6  48 o 16.56688 1.053757  2.781211       0.3442987 2.237912       0.4841807 3.336943       0.4896898 -3.315909      2.107515  
1 1 1 -25 6  49 o 37.23703 0.7545809 13.85839       0.5608954 12.85053       0.7679121 15.01103       0.8212203 -2.893108      1.509162  
1 1 1 -25 6  50 o 38.72380 0.7724500 14.98546       0.5967697 13.64128       0.8172814 16.52070       0.8734337 -3.709106      1.544900  
1 1 1 -25 6  51 o 18.21019 1.032572  3.320747       0.3736202 3.895141       0.5487595 2.824410       0.5101123 2.931038       2.065145  
1 1 1 -25 6  52 o 28.51747 1.017885  8.253529       0.5750682 7.544514       0.8501506 8.851597       0.7808058 -2.307287      2.035770  
1 1 1 -25 6  53 o 25.82242 1.120250  6.727251       0.5780346 6.395606       0.8168454 7.059905       0.8180850 -1.285959      2.240501  
1 1 1 -25 6  54 o 8.274156 2.015449  0.5851442      0.4277688 0.9825156      0.6114860 0.2043038      0.5986317 2.863930       4.030899  
1 1 1 -25 6  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 7  1  f 69.24270 0.8130735 47.95486       1.125356  49.14019       1.625043  46.86260       1.559939  1.641739       1.626147  
1 1 1 -25 7  2  o 32.11535 0.5382865 10.31395       0.3456579 10.11671       0.4822508 10.52234       0.4956943 -0.6311264     1.076573  
1 1 1 -25 7  3  o 41.57944 0.5951909 17.22461       0.4938617 18.47222       0.7281780 16.16194       0.6720459 2.776356       1.190382  
1 1 1 -25 7  4  o 62.39868 0.7524077 38.96886       0.9389790 38.92841       1.325269  39.00963       1.330581  -0.6486130E-01 1.504815  
1 1 1 -25 7  5  o 98.43559 1.086050  96.82258       2.134017  100.8216       3.137547  93.38000       2.911073  3.767059       2.172100  
1 1 1 -25 7  6  o 10.89133 0.7257853 1.198390       0.1562969 1.386269       0.2190107 1.003394       0.2231211 1.757859       1.451571  
1 1 1 -25 7  7  o 68.30912 0.8074624 46.52300       1.100223  49.14838       1.629819  44.32493       1.491293  3.524872       1.614925  
1 1 1 -25 7  8  o 84.93071 0.9581429 72.09308       1.625197  69.85316       2.227695  74.64168       2.376242  -2.811836      1.916286  
1 1 1 -25 7  9  o 71.09783 0.8333327 50.59772       1.184937  50.37640       1.669112  50.82260       1.682477  -0.3132324     1.666665  
1 1 1 -25 7  10 o 64.38979 0.7761452 41.49461       0.9994938 41.28281       1.407699  41.70994       1.419369  -0.3312225     1.552290  
1 1 1 -25 7  11 o 114.6373 1.784840  131.8615       4.088274  128.7168       5.635775  135.3544       5.939565  -2.867706      3.569679  
1 1 1 -25 7  12 o 34.35852 0.5803830 11.71666       0.3972295 10.61228       0.5350097 13.07337       0.5929883 -3.579781      1.160766  
1 1 1 -25 7  13 o 56.89629 0.7192543 32.39511       0.8184437 32.25696       1.153301  32.53529       1.161653  -0.2442970     1.438509  
1 1 1 -25 7  14 o 36.58815 0.5943545 13.09760       0.4299422 11.38463       0.5595724 15.56615       0.6717416 -5.710892      1.188709  
1 1 1 -25 7  15 o 39.26854 0.6080241 15.42068       0.4773996 15.06470       0.6660850 15.79670       0.6845849 -0.9314651     1.216048  
1 1 1 -25 7  16 o 80.74313 1.118902  65.46272       1.718902  64.83519       2.915032  65.79723       2.128287  -0.6412582     2.237803  
1 1 1 -25 7  17 o 67.38687 1.113035  45.39647       1.497690  47.15982       2.194376  43.85877       2.049177  2.440758       2.226071  
1 1 1 -25 7  18 o 67.80147 1.120257  46.04442       1.518731  46.63482       2.176837  45.48449       2.119914  0.8448868      2.240515  
1 1 1 -25 7  19 o 38.47844 0.8102540 14.81044       0.6233109 15.20774       0.8966055 14.43884       0.8671231 0.9978409      1.620508  
1 1 1 -25 7  20 o 84.56892 1.341642  71.63801       2.267212  73.54344       3.290893  69.91660       3.127954  2.132339       2.683284  
1 1 1 -25 7  21 o 40.28416 0.7367441 16.53586       0.5786169 17.81329       0.7571909 14.74297       0.8970474 3.816486       1.473488  
1 1 1 -25 7  22 o 90.14719 1.017582  81.40143       1.834639  81.38128       2.591977  81.42165       2.597174  -0.2208710E-01 2.035164  
1 1 1 -25 7  23 o 17.14235 0.7261757 2.941131       0.2468848 2.455886       0.3418393 3.470212       0.3569461 -2.957887      1.452351  
1 1 1 -25 7  24 o 37.95461 0.6926321 14.33041       0.5160430 13.97795       0.6648184 14.86466       0.8185098 -1.161419      1.385264  
1 1 1 -25 7  25 o 53.00804 0.8955280 28.55645       0.8935895 29.42410       1.101544  26.88659       1.528162  2.418686       1.791056  
1 1 1 -25 7  26 f 107.4897 1.540973  116.7324       3.277721  121.0911       4.378980  111.1788       4.942873  4.671333       3.081947  
1 1 1 -25 7  27 o 41.20706 0.9859877 17.01727       0.8123773 16.64890       1.152621  17.38091       1.145165  -0.8887253     1.971975  
1 1 1 -25 7  28 o 71.43791 1.246015  50.77731       1.770674  55.13721       2.679019  47.39532       2.359522  5.390343       2.492030  
1 1 1 -25 7  29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 7  30 o 64.05415 1.173742  41.11594       1.502780  42.42305       2.171117  39.91373       2.082177  1.950287       2.347484  
1 1 1 -25 7  31 o 85.48155 1.421231  73.36101       2.428299  71.74207       3.363594  75.12326       3.509305  -1.960274      2.842462  
1 1 1 -25 7  32 o 98.88462 1.455529  97.45083       2.785125  101.6230       4.600086  95.03633       3.499416  3.189484       2.911058  
1 1 1 -25 7  33 f 9.810298 1.786729  0.8504546      0.2982814 1.324567       0.6733334 0.7346975      0.3327083 2.858189       3.573457  
1 1 1 -25 7  34 o 33.76550 0.8657897 10.93771       0.5190616 12.49085       1.030007  10.40902       0.6009474 3.045372       1.731579  
1 1 1 -25 7  35 o 30.63451 0.7319911 9.551023       0.4412979 8.104018       0.6496423 10.79082       0.6013325 -4.388906      1.463982  
1 1 1 -25 7  36 o 38.20028 0.6755274 14.62509       0.5156724 14.17669       0.7366687 15.05593       0.7220916 -1.151897      1.351055  
1 1 1 -25 7  37 o 8.072994 1.523710  0.6649657      0.2574266 0.9150534      0.3759437 0.4441854      0.3532294 2.554986       3.047420  
1 1 1 -25 7  38 o 20.57363 0.7947538 4.264915       0.3250657 3.790113       0.4649378 4.718955       0.4546592 -2.258341      1.589508  
1 1 1 -25 7  39 o 17.09063 0.9122253 2.929302       0.3115977 2.940397       0.4494228 2.919034       0.4324014 0.6051254E-01  1.824451  
1 1 1 -25 7  40 o 71.64893 0.8832667 51.48773       1.265665  51.49409       1.796900  51.48146       1.783020  0.7164001E-02  1.766533  
1 1 1 -25 7  41 o 33.83546 0.7037705 11.45240       0.4757402 10.74557       0.6596199 12.21869       0.6867995 -2.174282      1.407541  
1 1 1 -25 7  42 o 50.43561 0.7420754 25.48540       0.7483611 25.88931       1.072755  25.10248       1.044496  0.7770309      1.484151  
1 1 1 -25 7  43 o 24.81247 0.7654256 6.176827       0.3793088 6.058713       0.5480835 6.285398       0.5254774 -0.4593334     1.530851  
1 1 1 -25 7  44 o 8.797341 1.598722  0.8062864      0.2859164 1.000659       0.4129904 0.6273756      0.3962242 1.929673       3.197443  
1 1 1 -25 7  45 o 37.26082 0.7167564 13.92165       0.5340053 13.68377       0.7591366 14.15467       0.7513191 -0.6328545     1.433513  
1 1 1 -25 7  46 o 16.56137 1.042347  2.776819       0.3427991 2.475858       0.4949045 3.054378       0.4752735 -1.750175      2.084694  
1 1 1 -25 7  47 o 34.87705 0.7370762 12.19868       0.5140482 12.12284       0.7326334 12.27222       0.7214438 -0.2156258     1.474152  
1 1 1 -25 7  48 o 20.66282 0.9194568 4.291756       0.3796816 4.192231       0.5435479 4.386592       0.5305883 -0.4725742     1.838914  
1 1 1 -25 7  49 o 47.25055 0.7712277 22.34335       0.7278730 21.04200       1.001149  23.80252       1.060115  -2.912086      1.542455  
1 1 1 -25 7  50 o 11.41534 1.549016  1.343148       0.3454832 1.621826       0.5025565 1.093437       0.4757213 2.489002       3.098032  
1 1 1 -25 7  51 o 35.96233 0.8438535 13.03526       0.5998365 12.68397       0.9145377 13.30047       0.7946367 -0.8794289     1.687707  
1 1 1 -25 7  52 o 35.22282 1.013013  12.43692       0.7036918 12.79283       1.096806  12.18792       0.9173956 0.8174324      2.026026  
1 1 1 -25 7  53 o 26.63377 1.319623  7.367395       0.6745947 6.425569       1.079232  7.971350       0.8642340 -2.969894      2.639246  
1 1 1 -25 7  54 o 25.87745 1.675360  0.000000       0.000000  ?              ?         6.761947       0.8670808 ?              ?         
1 1 1 -25 7  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 8  1  o 91.99579 1.483631  84.87637       2.728535  86.82874       3.931210  83.06161       3.790120  2.035431       2.967262  
1 1 1 -25 8  2  o 83.46590 1.373036  69.69810       2.287696  67.18082       3.121282  72.61996       3.362780  -3.239708      2.746072  
1 1 1 -25 8  3  f 87.59879 0.9824058 76.85020       1.721128  76.69632       2.426845  77.00592       2.441306  -0.1759338     1.964812  
1 1 1 -25 8  4  o 95.71159 1.059617  91.49653       2.023556  88.08695       2.750340  95.52051       2.987876  -3.869560      2.119234  
1 1 1 -25 8  5  f 72.11028 0.8382448 52.01795       1.208337  53.20153       1.742186  50.92083       1.677350  1.578445       1.676490  
1 1 1 -25 8  6  f 9.777142 0.6919609 0.9614359      0.1340941 1.116145       0.1904630 0.8093790      0.1888230 1.568734       1.383922  
1 1 1 -25 8  7  o 47.24271 0.6355118 22.23302       0.5989373 23.74124       0.8865467 20.96666       0.8123580 2.933990       1.271024  
1 1 1 -25 8  8  o 15.78248 0.5855073 2.489792       0.1845359 2.303746       0.2569496 2.687966       0.2651920 -1.216978      1.171015  
1 1 1 -25 8  9  o 58.93383 0.7307521 34.75677       0.8612800 34.43195       1.210959  35.08931       1.225234  -0.5571594     1.461504  
1 1 1 -25 8  10 o 88.38591 0.9921210 78.02399       1.750087  75.16585       2.383390  81.36806       2.578049  -3.498344      1.984242  
1 1 1 -25 8  11 o 56.58125 0.7146787 31.45961       0.7992797 28.45733       1.037985  35.83296       1.252775  -6.509575      1.429357  
1 1 1 -25 8  12 o 106.0427 1.163372  112.5877       2.465732  110.2870       3.413686  115.0974       3.565402  -2.258759      2.326743  
1 1 1 -25 8  13 o 31.53162 0.7096870 9.845553       0.4447004 10.87965       0.6772772 9.061865       0.5896016 2.879150       1.419374  
1 1 1 -25 8  14 o 89.58747 1.399054  80.46527       2.505934  81.68290       3.599612  79.32019       3.490747  1.310501       2.798108  
1 1 1 -25 8  15 o 71.58586 1.161429  51.04187       1.655364  54.50526       2.487868  48.29041       2.217471  4.323921       2.322857  
1 1 1 -25 8  16 o 47.02224 0.8710135 22.03436       0.8171190 20.66294       1.109316  23.66109       1.208163  -3.183342      1.742027  
1 1 1 -25 8  17 o 34.69931 0.6880202 11.75947       0.4586055 11.07047       0.5665023 13.06960       0.7811812 -2.872593      1.376040  
1 1 1 -25 8  18 o 84.42567 0.9641697 71.23002       1.625334  68.91460       2.222980  73.88953       2.382434  -2.937851      1.928339  
1 1 1 -25 8  19 o 51.48638 0.6872698 26.41563       0.7059383 24.97375       0.9578736 28.12985       1.044428  -3.061653      1.374540  
1 1 1 -25 8  20 o 20.28222 0.6449925 4.072595       0.2589086 4.999868       0.3866471 3.318815       0.3486049 4.142757       1.289985  
1 1 1 -25 8  21 o 58.71290 0.7422550 34.50134       0.8715631 34.21619       1.225842  34.79286       1.239423  -0.4904938     1.484510  
1 1 1 -25 8  22 o 17.23440 0.7058524 2.980259       0.2424569 2.700122       0.3434182 3.258665       0.3423560 -1.620476      1.411705  
1 1 1 -25 8  23 o 50.22176 0.6834392 25.18163       0.6855571 24.01721       0.9405135 26.50167       1.001397  -2.470749      1.366878  
1 1 1 -25 8  24 o 37.59212 0.6258934 14.04571       0.4689583 12.79552       0.6339287 15.55685       0.6969573 -3.670029      1.251787  
1 1 1 -25 8  25 f 50.90054 0.6955390 25.89681       0.7075403 24.94872       0.9781059 26.93748       1.024749  -1.951283      1.391078  
1 1 1 -25 8  26 o 22.58685 0.6525323 5.113156       0.2940324 4.682548       0.4148893 5.547669       0.4167663 -1.915014      1.305065  
1 1 1 -25 8  27 o 84.59921 0.9751440 71.68167       1.649462  72.79059       2.366982  70.63477       2.299851  1.269424       1.950288  
1 1 1 -25 8  28 o 63.62593 0.7983449 40.52597       1.015684  41.11806       1.455122  39.96342       1.418372  0.9051170      1.596690  
1 1 1 -25 8  29 o 41.57091 0.6567170 17.19780       0.5442492 18.59232       0.8102891 16.05153       0.7346303 3.051910       1.313434  
1 1 1 -25 8  30 o 51.45151 0.7120569 26.49224       0.7324959 26.98106       1.052182  26.03253       1.020362  0.9198647      1.424114  
1 1 1 -25 8  31 o 45.94657 0.6816322 20.98460       0.6238607 22.86101       0.9347917 19.47768       0.8377140 3.675938       1.363264  
1 1 1 -25 8  32 o 47.34737 0.6989877 22.44788       0.6618743 22.20706       0.9362544 22.68847       0.9358090 -0.5084114     1.397975  
1 1 1 -25 8  33 o 70.18881 0.9284056 49.57099       1.296905  51.66246       1.772625  47.16193       1.902451  3.218246       1.856811  
1 1 1 -25 8  34 o 5.670403 1.671194  0.9252854E-01  0.2862782 0.1188176      0.3337763 0.1937344E-01  0.5567891 -0.9708638     3.342388  
1 1 1 -25 8  35 o 6.652871 1.752175  0.1827264      0.2961398 -0.5575965E-02 0.3468650 0.6890308      0.5687724 -3.692331      3.504349  
1 1 1 -25 8  36 o 51.62779 0.9259145 26.78345       0.8885924 26.87981       1.075182  26.57581       1.578321  0.3463249      1.851829  
1 1 1 -25 8  37 o 37.39130 0.8610896 13.70491       0.5917776 13.25162       0.7034053 14.80289       1.094744  -2.034569      1.722179  
1 1 1 -25 8  38 f 54.62106 1.020255  29.33146       1.072775  27.80344       1.330602  32.16934       1.813352  -3.934410      2.040509  
1 1 1 -25 8  39 o 29.35951 1.104924  8.636244       0.6477845 9.073372       0.9491763 8.255139       0.8862669 1.384222       2.209848  
1 1 1 -25 8  40 o 36.69818 1.070860  13.53013       0.7852881 12.81730       1.105675  14.25572       1.115520  -1.958363      2.141720  
1 1 1 -25 8  41 o 50.22239 1.099034  25.33295       1.103654  24.62614       1.543113  26.07312       1.579115  -1.434982      2.198068  
1 1 1 -25 8  42 f 10.25935 2.156054  1.049495       0.4870321 1.461218       0.7187490 0.6999574      0.6622495 2.992777       4.312108  
1 1 1 -25 8  43 o 71.25272 1.302393  51.13526       1.855917  51.40943       2.637918  50.86653       2.611605  0.3757935      2.604785  
1 1 1 -25 8  44 o 8.656384 2.211356  0.6415836      0.4965280 0.4519402      0.7411750 0.7959913      0.6687847 -0.9285717     4.422712  
1 1 1 -25 8  45 o 28.51179 1.196155  8.135278       0.6797550 9.096480       1.005199  7.325335       0.9227248 3.088663       2.392309  
1 1 1 -25 8  46 o 29.19424 1.183487  8.569489       0.6902188 8.846629       1.005845  8.322853       0.9488775 0.8851376      2.366973  
1 1 1 -25 8  47 o 36.92049 1.057983  13.88172       0.7713646 15.46515       1.054572  12.05982       1.131203  4.626442       2.115966  
1 1 1 -25 8  48 o 12.83787 2.003340  1.767362       0.4978232 1.903258       0.6614119 1.589768       0.7561094 1.250851       4.006679  
1 1 1 -25 8  49 o 20.90741 1.200415  4.103871       0.4692797 3.617951       0.5581027 5.276527       0.8669958 -3.890841      2.400830  
1 1 1 -25 8  50 o 33.42210 1.152113  11.15010       0.7622989 10.51520       0.9979538 12.03952       1.181163  -2.233181      2.304226  
1 1 1 -25 8  51 o 31.21828 1.770805  9.571530       0.8275850 9.390281       0.9043614 10.50509       2.052455  -1.359095      3.541610  
1 1 1 -25 8  52 o 51.66125 1.359950  27.32950       1.337916  28.09607       1.669568  25.95379       2.236611  2.251392       2.719899  
1 1 1 -25 8  53 o 31.09989 1.125595  9.735714       0.6985558 8.863396       0.9644225 10.69849       1.013195  -2.936483      2.251190  
1 1 1 -25 8  54 o 33.71675 2.255624  0.000000       0.000000  ?              ?         11.56850       1.521046  ?              ?         
1 1 1 -25 9  1  o 89.79519 1.460314  80.19276       2.604149  75.03915       3.445010  87.06384       3.977835  -6.646423      2.920627  
1 1 1 -25 9  2  o 61.48158 1.125403  37.76712       1.381435  39.85171       2.027939  35.96229       1.886958  3.153446       2.250807  
1 1 1 -25 9  3  o 120.3101 1.870872  145.3986       4.496841  141.7464       6.189457  149.4817       6.544358  -3.175667      3.741745  
1 1 1 -25 9  4  o 27.49643 0.9796700 7.512216       0.5365999 6.789549       0.7231232 8.397802       0.8004954 -2.920120      1.959340  
1 1 1 -25 9  5  o 24.20329 1.046877  5.814155       0.4994332 4.552834       0.6740051 7.349996       0.7437437 -5.774393      2.093753  
1 1 1 -25 9  6  f 53.66330 0.6788920 28.80324       0.7283301 28.31872       1.012595  29.32260       1.048365  -0.9339867     1.357784  
1 1 1 -25 9  7  o 49.87305 0.6588091 24.77404       0.6554272 26.53602       0.9705805 23.29695       0.8886561 3.244320       1.317618  
1 1 1 -25 9  8  f 96.99843 1.074144  94.21623       2.083136  95.76089       2.992238  92.76348       2.901840  1.539726       2.148288  
1 1 1 -25 9  9  o 35.54604 0.5715110 12.58014       0.4052652 13.55971       0.5994887 11.75572       0.5499707 2.535984       1.143022  
1 1 1 -25 9  10 o 54.67004 0.8263041 29.47712       0.8536747 31.25826       1.492485  28.61105       1.040729  2.400776       1.652608  
1 1 1 -25 9  11 o 28.95831 0.6763417 8.383251       0.3913888 8.591305       0.5675796 8.194625       0.5404324 0.6839085      1.352683  
1 1 1 -25 9  12 o 83.21319 1.306611  69.36304       2.172866  71.00421       3.148035  67.86973       3.002893  1.872986       2.613222  
1 1 1 -25 9  13 o 46.00793 0.8378099 21.16970       0.7703437 21.70456       1.115772  20.68252       1.064870  1.108372       1.675620  
1 1 1 -25 9  14 f 121.5514 2.667907  148.5714       6.485755  148.5714       6.485755  ?              ?         ?              ?         
1 1 1 -25 9  15 o 57.50719 0.7297038 33.09594       0.8391955 32.90419       1.177967  33.29356       1.195838  -0.3378105     1.459408  
1 1 1 -25 9  16 o 56.54766 0.7203788 31.76721       0.8110483 34.48228       1.219856  29.61609       1.085803  4.297279       1.440758  
1 1 1 -25 9  17 o 65.40380 0.7927356 42.66460       1.034400  40.71766       1.404031  44.97588       1.529767  -3.249607      1.585471  
1 1 1 -25 9  18 o 24.33139 0.6019878 5.868558       0.2910290 6.906475       0.4334186 5.016343       0.3927364 3.882706       1.203976  
1 1 1 -25 9  19 o 76.19704 0.8881883 58.12898       1.353391  58.73751       1.931867  57.54248       1.896589  0.7822647      1.776377  
1 1 1 -25 9  20 o 63.09551 0.7775563 39.84891       0.9811423 40.24739       1.397342  39.46140       1.377950  0.6219101      1.555113  
1 1 1 -25 9  21 f 56.16675 0.7332391 31.49442       0.8224485 33.15409       1.203855  30.04183       1.126254  2.766792       1.466478  
1 1 1 -25 9  22 o 124.4393 1.350714  155.3977       3.361566  156.0950       4.772908  154.7113       4.735260  0.5524902      2.701428  
1 1 1 -25 9  23 f 39.74529 0.6338332 15.79923       0.5036395 16.16913       0.7248091 15.45389       0.7003292 0.8986855      1.267666  
1 1 1 -25 9  24 o 87.67918 0.9982572 76.99875       1.750015  75.87658       2.439500  78.18851       2.511878  -1.313339      1.996514  
1 1 1 -25 9  25 o 49.74152 0.6935952 24.62568       0.6878169 23.03021       0.9286188 26.56485       1.023767  -3.548344      1.387190  
1 1 1 -25 9  26 o 8.008507 1.391296  0.6696170      0.2215287 0.6518006      0.3114394 0.6878629      0.3151716 -0.2130890     2.782592  
1 1 1 -25 9  27 o 29.00979 0.6257387 8.401738       0.3625858 8.952612       0.5278606 7.909629       0.4989107 1.796207       1.251477  
1 1 1 -25 9  28 o 77.42477 0.9105572 59.93913       1.407918  57.91744       1.928602  62.24589       2.060089  -2.785370      1.821114  
1 1 1 -25 9  29 o 55.75824 0.7427377 31.12486       0.8281693 31.52443       1.182829  30.74062       1.159924  0.7014084      1.485475  
1 1 1 -25 9  30 o 29.98621 0.6425316 8.899212       0.3824723 7.544871       0.5135718 10.58575       0.5731072 -5.067041      1.285063  
1 1 1 -25 9  31 o 9.605160 1.226013  0.9445828      0.2297415 0.8530802      0.3250137 1.035961       0.3247935 -1.110906      2.452026  
1 1 1 -25 9  32 o 41.82555 0.6633880 17.33084       0.5517474 19.32982       0.8365386 15.79168       0.7340465 4.222683       1.326776  
1 1 1 -25 9  33 o 22.41537 0.7040855 5.025491       0.3153288 5.167615       0.4585051 4.897943       0.4343585 0.5997524      1.408171  
1 1 1 -25 9  34 o 25.55045 0.6758087 6.545715       0.3447717 6.129865       0.4886687 6.957882       0.4865002 -1.620516      1.351617  
1 1 1 -25 9  35 o 57.67934 0.7646527 33.14196       0.8792640 31.00250       1.186825  35.74491       1.309080  -4.100395      1.529305  
1 1 1 -25 9  36 o 35.03419 0.6655265 12.29723       0.4660371 11.79867       0.6590071 12.79600       0.6591449 -1.423355      1.331053  
1 1 1 -25 9  37 o 29.13535 0.6825747 8.506785       0.3967710 7.751385       0.5563273 9.288784       0.5660365 -2.637539      1.365149  
1 1 1 -25 9  38 o 19.16548 0.8137221 3.682492       0.3118874 3.650932       0.4422546 3.713718       0.4399054 -0.1640511     1.627444  
1 1 1 -25 9  39 o 14.75531 0.9973408 2.174359       0.2855610 2.967741       0.4251408 1.522175       0.3854576 4.893224       1.994682  
1 1 1 -25 9  40 o 13.51665 1.078079  1.818742       0.2877648 2.267232       0.4280544 1.448913       0.3887069 3.021208       2.156158  
1 1 1 -25 9  41 o 43.77988 0.7154284 19.20056       0.6260861 19.40092       0.9023794 19.01457       0.8693811 0.4377937      1.430857  
1 1 1 -25 9  42 o 39.70285 0.7064420 15.78756       0.5605477 14.96020       0.7835193 16.65502       0.8022821 -2.132408      1.412884  
1 1 1 -25 9  43 o 48.65575 0.7455310 23.73413       0.7254872 23.75444       1.026163  23.71382       1.025825  0.4169464E-01  1.491062  
1 1 1 -25 9  44 o 40.39162 0.7251098 16.35712       0.5855829 15.81539       0.8246794 16.90804       0.8316431 -1.351681      1.450220  
1 1 1 -25 9  45 o 40.65026 0.7270262 16.57293       0.5908892 16.17003       0.8382773 16.97080       0.8330345 -0.9856224     1.454052  
1 1 1 -25 9  46 o 30.58622 0.7569879 9.319451       0.4612444 10.09962       0.6908244 8.691920       0.6195730 2.291456       1.513976  
1 1 1 -25 9  47 o 46.87469 0.7591282 22.02588       0.7110841 22.40475       1.030301  21.68125       0.9826409 0.7647591      1.518256  
1 1 1 -25 9  48 o 14.75099 1.210059  2.160989       0.3542295 2.487136       0.5428723 1.919164       0.4674566 1.906942       2.420117  
1 1 1 -25 9  49 f 36.67933 0.8907486 13.37397       0.6262264 14.02567       1.059230  13.02378       0.7764564 1.311020       1.781497  
1 1 1 -25 9  50 o 13.64593 1.473414  1.883046       0.4013293 2.057310       0.5815291 1.724569       0.5545615 1.210445       2.946829  
1 1 1 -25 9  51 o 36.37696 1.007373  13.31769       0.7321838 13.36812       1.060088  13.27169       1.012480  0.1215591      2.014747  
1 1 1 -25 9  52 f 33.65973 1.029495  11.41285       0.6924514 11.43568       1.000695  11.39187       0.9591726 0.5451202E-01  2.058989  
1 1 1 -25 9  53 o 52.53516 1.106079  27.68375       1.159020  25.54922       1.573362  30.21646       1.713837  -4.403862      2.212158  
1 1 1 -25 9  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 10 1  f 13.00719 1.721323  1.751892       0.4297061 1.709779       0.5786537 1.803666       0.6416019 -0.3313560     3.442645  
1 1 1 -25 10 2  o 84.58241 1.402934  71.46355       2.364448  67.98964       3.182350  75.74445       3.532693  -4.550537      2.805868  
1 1 1 -25 10 3  o 8.969345 1.921153  0.7919501      0.3847999 0.5265296      0.5333755 1.080042       0.5556887 -2.413362      3.842306  
1 1 1 -25 10 4  o 71.08942 1.238250  50.67607       1.760380  50.55545       2.472157  50.80015       2.507321  -0.1693115     2.476500  
1 1 1 -25 10 5  o 54.65417 1.075300  29.82017       1.171981  28.55586       1.586209  31.34012       1.739199  -2.536903      2.150600  
1 1 1 -25 10 6  o 29.72553 1.004398  8.847583       0.5969891 8.612485       0.8347729 9.093693       0.8540989 -0.8082352     2.008796  
1 1 1 -25 10 7  o 39.76374 1.398587  0.000000       0.000000  ?              ?         15.83780       1.112261  ?              ?         
1 1 1 -25 10 8  o 49.32786 0.8467758 24.34765       0.8351049 23.84134       1.162483  24.88758       1.200466  -1.058590      1.693552  
1 1 1 -25 10 9  o 134.9591 2.036501  183.2677       5.493589  186.9722       7.935367  179.8581       7.612879  2.596954       4.073003  
1 1 1 -25 10 10 o 34.10904 0.7049088 11.64058       0.4805208 11.72642       0.6941440 11.56159       0.6658563 0.2404480      1.409818  
1 1 1 -25 10 11 o 151.3993 1.967836  231.4976       5.664247  233.3346       7.014351  228.0546       9.603077  2.038452       3.935673  
1 1 1 -25 10 12 o 83.13000 0.9481206 69.18698       1.575983  70.21307       2.258422  68.21305       2.200268  1.199699       1.896241  
1 1 1 -25 10 13 o 160.0237 1.704439  257.0998       5.451077  262.9447       7.890782  251.7641       7.539206  3.457870       3.408877  
1 1 1 -25 10 14 o 20.52497 0.5814420 4.211263       0.2382992 3.887927       0.3318258 4.555609       0.3424365 -1.626143      1.162884  
1 1 1 -25 10 15 o 74.63687 1.276267  55.84734       1.904853  56.85061       2.721913  54.88439       2.666676  1.312889       2.552534  
1 1 1 -25 10 16 f 17.33469 0.6348870 3.014720       0.2189540 3.395425       0.3113498 2.642228       0.3079732 2.172379       1.269774  
1 1 1 -25 10 17 o 48.33564 0.6628239 23.22719       0.6384184 25.24960       0.9538706 21.58612       0.8592453 3.785603       1.325648  
1 1 1 -25 10 18 o 16.20868 0.7169376 2.605397       0.2219169 3.817774       0.3354909 1.662279       0.2959003 6.647394       1.433875  
1 1 1 -25 10 19 o 76.95108 0.8974372 59.30407       1.381131  59.65363       1.962798  58.96125       1.943769  0.4487228      1.794874  
1 1 1 -25 10 20 o 38.80944 0.6220757 14.95444       0.4808272 16.44843       0.7210509 13.75811       0.6452333 3.462765       1.244151  
1 1 1 -25 10 21 o 70.27530 0.8411708 49.44908       1.182164  48.99040       1.658312  49.92303       1.685689  -0.6619339     1.682342  
1 1 1 -25 10 22 o 22.93323 0.6306649 5.242671       0.2886889 5.668412       0.4236318 4.873540       0.3944627 1.731722       1.261330  
1 1 1 -25 10 23 o 78.68896 1.263575  62.10727       1.988381  61.45143       2.787486  62.78669       2.837162  -0.8440018     2.527150  
1 1 1 -25 10 24 o 74.30711 0.8808503 55.29332       1.308867  55.92580       1.871019  54.68717       1.831644  0.8308945      1.761701  
1 1 1 -25 10 25 f 71.41985 0.8559756 51.05973       1.222183  50.05247       1.699316  52.13911       1.759088  -1.456825      1.711951  
1 1 1 -25 10 26 o 29.82913 0.6279004 8.905966       0.3744421 8.902490       0.5372006 8.909252       0.5222001 -0.1210403E-01 1.255801  
1 1 1 -25 10 27 o 49.01788 0.6907515 23.97537       0.6759528 22.73989       0.9226572 25.40675       0.9931095 -2.716202      1.381503  
1 1 1 -25 10 28 o 88.22944 1.007896  78.01894       1.778145  77.08103       2.484032  79.00462       2.546485  -1.084595      2.015793  
1 1 1 -25 10 29 o 68.07458 0.8343805 46.29908       1.133886  44.45664       1.547090  48.43741       1.666695  -2.914627      1.668761  
1 1 1 -25 10 30 o 38.99165 0.6520585 15.22237       0.5084671 15.08366       0.7205685 15.35995       0.7176028 -0.3544846     1.304117  
1 1 1 -25 10 31 o 23.99353 0.6812431 5.767785       0.3258299 5.171177       0.4559540 6.390409       0.4657896 -2.540060      1.362486  
1 1 1 -25 10 32 o 50.14859 0.7068479 25.09324       0.7071655 26.46111       1.046278  23.94284       0.9595116 2.504356       1.413696  
1 1 1 -25 10 33 o 27.86393 0.6593368 7.704543       0.3657446 8.577050       0.5496197 7.011104       0.4899839 2.805716       1.318674  
1 1 1 -25 10 34 o 30.00793 0.6609238 9.018872       0.3959898 8.341677       0.5553086 9.719518       0.5648414 -2.295074      1.321848  
1 1 1 -25 10 35 f 7.681761 1.517779  0.6130289      0.2434905 0.5309880      0.3512526 0.6889215      0.3378343 -0.8671455     3.035558  
1 1 1 -25 10 36 o 40.40368 0.6804821 16.32878       0.5493528 15.37034       0.7625246 17.36307       0.7921249 -2.463482      1.360964  
1 1 1 -25 10 37 o 27.96734 0.6886190 7.847536       0.3845879 7.491354       0.5503137 8.187556       0.5376850 -1.245819      1.377238  
1 1 1 -25 10 38 o 27.52391 0.7026963 7.481714       0.3839983 8.767543       0.5831529 6.497347       0.5102340 4.117088       1.405393  
1 1 1 -25 10 39 o 38.94302 0.6958783 15.15027       0.5410243 15.92630       0.7947217 14.47997       0.7386044 1.851551       1.391757  
1 1 1 -25 10 40 o 18.36284 0.8738105 3.355222       0.3196086 3.757373       0.4769294 3.027402       0.4306023 1.981735       1.747621  
1 1 1 -25 10 41 o 11.55294 1.343757  1.418857       0.2909141 0.9365855      0.4170395 1.875959       0.4060115 -4.224213      2.687513  
1 1 1 -25 10 42 o 40.30132 0.7151901 16.27595       0.5760380 16.36991       0.8318216 16.18937       0.7984824 0.2201614      1.430380  
1 1 1 -25 10 43 o 49.53687 0.7523344 24.55355       0.7445525 23.25879       1.026098  25.99334       1.082040  -2.752811      1.504669  
1 1 1 -25 10 44 o 9.548295 1.511653  0.9572191      0.2913007 0.6364286      0.4170018 1.262955       0.4070995 -3.287565      3.023305  
1 1 1 -25 10 45 o 22.85619 0.8463318 5.207329       0.3842299 6.144617       0.5672264 4.412592       0.5223141 3.782198       1.692664  
1 1 1 -25 10 46 o 36.01147 0.7454756 13.00362       0.5366850 12.48184       0.7528399 13.54280       0.7652876 -1.471336      1.490951  
1 1 1 -25 10 47 f 36.98231 0.8001892 13.76014       0.5870498 13.44730       0.8830301 14.00793       0.7858663 -0.7734108     1.600378  
1 1 1 -25 10 48 o 41.37610 0.9295258 17.24812       0.7635085 16.86364       1.144755  17.55619       1.024718  -0.8604202     1.859052  
1 1 1 -25 10 49 o 25.29103 1.045662  6.363592       0.5251580 7.092546       0.8034052 5.819757       0.6939341 2.490818       2.091324  
1 1 1 -25 10 50 f 28.80445 1.024227  8.282475       0.5875272 9.334139       0.8766921 7.425080       0.7915879 3.294214       2.048455  
1 1 1 -25 10 51 o 16.86057 1.397685  2.883469       0.4674587 2.423687       0.6500909 3.375729       0.6726593 -2.815771      2.795370  
1 1 1 -25 10 52 o 28.45750 1.070847  8.195504       0.6061400 7.234913       0.8589232 9.148475       0.8555095 -3.363052      2.141693  
1 1 1 -25 10 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 11 1  f 24.17920 1.115011  5.850525       0.5385951 5.484020       0.7457658 6.250093       0.7786765 -1.581575      2.230021  
1 1 1 -25 11 2  o 53.52407 1.068619  28.69884       1.143647  29.52025       1.637734  27.91706       1.597731  1.494637       2.137238  
1 1 1 -25 11 3  o 82.46949 1.380169  68.23590       2.275802  69.69151       3.265956  66.86198       3.172997  1.706497       2.760338  
1 1 1 -25 11 4  o 9.764536 2.006272  0.9808981      0.4146390 0.9494221      0.6077726 1.008304       0.5671127 -0.2024956     4.012543  
1 1 1 -25 11 5  o 76.73808 2.707476  0.000000       0.000000  ?              ?         59.31435       4.155329  ?              ?         
1 1 1 -25 11 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 11 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 11 8  o 29.37425 1.397603  8.644607       0.8210707 8.644607       0.8210707 ?              ?         ?              ?         
1 1 1 -25 11 9  o 40.65988 0.9915149 16.47681       0.8036098 15.55332       1.083742  17.60481       1.197742  -2.515137      1.983030  
1 1 1 -25 11 10 o 49.02972 0.6574645 23.55814       0.6365454 27.26506       1.002401  21.05321       0.8240125 6.326923       1.314929  
1 1 1 -25 11 11 o 78.31106 0.9024234 61.42093       1.413388  61.49075       1.996352  61.35077       2.001321  0.8967590E-01  1.804847  
1 1 1 -25 11 12 o 80.16657 0.9200663 64.30406       1.473999  62.80511       2.036135  65.95457       2.136590  -1.958115      1.840133  
1 1 1 -25 11 13 o 48.95520 0.6628762 23.98595       0.6490189 23.90959       0.9154791 24.06311       0.9202419 -0.1565933     1.325752  
1 1 1 -25 11 14 o 107.4243 1.181908  115.4983       2.535430  112.0802       3.472360  119.4019       3.710782  -3.388550      2.363815  
1 1 1 -25 11 15 o 61.91085 0.7664757 38.32792       0.9483337 37.25464       1.310121  39.50925       1.374486  -1.817440      1.532951  
1 1 1 -25 11 16 o 7.742535 1.831674  0.3471821      0.4002036 -0.3373428     0.5568286 1.078596       0.5755838 -4.873080      3.663349  
1 1 1 -25 11 17 o 22.79109 0.5900283 5.200586       0.2688074 5.078130       0.3832755 5.319128       0.3771018 -0.5289650     1.180057  
1 1 1 -25 11 18 o 24.89189 0.5833908 6.177357       0.2898730 5.717857       0.3969836 6.702168       0.4242589 -1.976055      1.166782  
1 1 1 -25 11 19 o 10.61943 1.073679  1.231371       0.1971131 2.036562       0.2861350 0.5041547      0.2719274 7.288577       2.147358  
1 1 1 -25 11 20 o 37.74930 0.7794369 14.26727       0.5884610 14.20345       0.8313507 14.33135       0.8330710 -0.1693192     1.558874  
1 1 1 -25 11 21 o 45.10940 0.6646187 20.31465       0.5987439 21.35101       0.8760102 19.40606       0.8202419 2.153145       1.329237  
1 1 1 -25 11 22 o 43.91438 0.6543509 19.30195       0.5746813 19.33763       0.8170352 19.26702       0.8084765 0.7996368E-01  1.308702  
1 1 1 -25 11 23 o 65.92036 0.8110372 43.49440       1.068891  42.64521       1.487414  44.40125       1.537091  -1.328766      1.622074  
1 1 1 -25 11 24 o 97.14467 1.091259  94.63110       2.120200  94.62042       2.998655  94.64179       2.998177  -0.1103973E-01 2.182519  
1 1 1 -25 11 25 o 79.72353 0.9322178 63.43277       1.482217  60.44524       2.006727  67.01940       2.198754  -4.108040      1.864436  
1 1 1 -25 11 26 o 101.3754 1.130847  103.0860       2.292696  102.4620       3.223705  103.7247       3.261346  -0.6190796     2.261693  
1 1 1 -25 11 27 o 53.53883 0.7193423 28.63616       0.7691851 29.94195       1.124664  27.48859       1.054323  2.286602       1.438685  
1 1 1 -25 11 28 o 64.85390 0.8088577 41.96979       1.046445  39.94228       1.419024  44.38680       1.549340  -3.416420      1.617715  
1 1 1 -25 11 29 o 59.62849 0.7693356 35.61556       0.9174712 35.71017       1.301905  35.52222       1.293140  0.1569138      1.538671  
1 1 1 -25 11 30 o 113.7462 1.254160  129.9422       2.852383  128.2688       3.979903  131.7095       4.090113  -1.497978      2.508321  
1 1 1 -25 11 31 o 54.03293 0.7361981 29.24280       0.7955554 29.28191       1.129761  29.20434       1.120467  0.7105255E-01  1.472396  
1 1 1 -25 11 32 o 58.20164 0.7622617 33.90771       0.8868916 33.00290       1.231735  34.88186       1.278056  -1.610279      1.524523  
1 1 1 -25 11 33 o 23.57897 0.6906144 5.565709       0.3255310 5.651970       0.4688277 5.485404       0.4523548 0.3518867      1.381229  
1 1 1 -25 11 34 o 37.21915 0.6650094 13.85906       0.4946062 13.08545       0.6883256 14.68493       0.7111925 -2.146896      1.330019  
1 1 1 -25 11 35 o 44.88533 0.6967191 20.11561       0.6243266 18.62668       0.8569308 21.80003       0.9114516 -3.530109      1.393438  
1 1 1 -25 11 36 o 12.77486 1.031786  1.650589       0.2611499 1.403536       0.3716650 1.891508       0.3670221 -1.910524      2.063571  
1 1 1 -25 11 37 o 20.99569 0.7981083 4.422618       0.3272206 3.237106       0.4475927 5.783638       0.4795814 -6.061022      1.596217  
1 1 1 -25 11 38 o 64.04303 0.8280098 41.12425       1.060461  41.26700       1.511478  40.98586       1.488228  0.2168007      1.656020  
1 1 1 -25 11 39 o 39.74388 0.6979324 15.76022       0.5534441 16.81742       0.8179721 14.86761       0.7516089 2.446220       1.395865  
1 1 1 -25 11 40 o 47.20310 0.7331389 22.23820       0.6903483 23.61922       1.022148  21.07989       0.9361147 2.680458       1.466278  
1 1 1 -25 11 41 o 34.26443 0.7043754 11.76454       0.4826083 11.87485       0.6905004 11.65920       0.6747929 0.3129311      1.408751  
1 1 1 -25 11 42 o 25.29086 0.7701818 6.406955       0.3893009 6.627162       0.5635341 6.205928       0.5384324 0.8294392      1.540364  
1 1 1 -25 11 43 o 33.70022 0.7226835 11.37912       0.4864151 10.56806       0.6787153 12.23560       0.6974570 -2.471691      1.445367  
1 1 1 -25 11 44 o 11.08955 1.354485  1.264006       0.2926580 1.395165       0.4140601 1.133073       0.4137020 1.352745       2.708970  
1 1 1 -25 11 45 o 7.762928 1.598869  0.5786164      0.2936515 0.1577277      0.4164835 0.9946987      0.4140987 -3.919132      3.197737  
1 1 1 -25 11 46 o 12.67105 1.413611  1.621411       0.3347458 2.444997       0.5118480 1.005894       0.4424933 5.812950       2.827223  
1 1 1 -25 11 47 o 11.98839 1.610182  1.471331       0.3755546 1.918884       0.5588298 1.102726       0.5071517 3.562538       3.220364  
1 1 1 -25 11 48 f 21.30537 1.108502  4.581933       0.4712264 4.704612       0.6499898 4.446021       0.6841513 0.6153202      2.217004  
1 1 1 -25 11 49 o 31.35735 0.9834667 9.885086       0.6164575 9.455008       0.8597075 10.34025       0.8844227 -1.406130      1.966933  
1 1 1 -25 11 50 o 32.65240 0.9798976 10.68731       0.6383611 9.731400       0.8746328 11.77700       0.9338298 -3.118748      1.959795  
1 1 1 -25 11 51 o 14.83010 2.230988  2.493554       0.5583412 1.954422       1.156837  2.657282       0.6375095 -2.718761      4.461975  
1 1 1 -25 11 52 o 9.863990 2.386389  0.9579110      0.5200861 0.6100833      1.108064  1.056190       0.5889961 -0.2715302     4.772778  
1 1 1 -25 12 1  o 8.480337 2.103140  0.6385441      0.4441215 0.7580131      0.6095272 0.5033330      0.6484427 0.8122511      4.206280  
1 1 1 -25 12 2  o 52.22269 1.540788  0.000000       0.000000  ?              ?         27.34197       1.609282  ?              ?         
1 1 1 -25 12 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 12 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 12 5  o 32.66398 2.075253  10.71535       1.355721  10.71535       1.355721  ?              ?         ?              ?         
1 1 1 -25 12 6  o 107.3801 1.712643  115.6749       3.671413  120.8353       5.393302  111.2184       5.011970  4.432091       3.425287  
1 1 1 -25 12 7  o 54.57476 1.094123  29.69217       1.189789  28.07050       1.600735  31.69403       1.778500  -3.306160      2.188246  
1 1 1 -25 12 8  o 91.58823 1.502383  84.24200       2.751419  83.48423       3.844649  85.03754       3.939264  -0.8380280     3.004767  
1 1 1 -25 12 9  f 26.68659 1.086599  7.028748       0.5729023 5.658851       0.7639498 8.789201       0.8660301 -5.857304      2.173198  
1 1 1 -25 12 10 o 104.1781 1.666689  109.0236       3.469748  106.7190       4.791476  111.5647       5.031227  -2.297668      3.333378  
1 1 1 -25 12 11 f 51.53377 0.6758806 26.52701       0.6956660 25.58826       0.9539396 27.59335       1.016697  -1.942444      1.351761  
1 1 1 -25 12 12 o 31.27009 0.5614308 9.780047       0.3510382 9.511714       0.4909557 10.06072       0.5021183 -0.8774071     1.122862  
1 1 1 -25 12 13 o 77.80465 0.9020454 60.43737       1.400333  57.95361       1.902559  63.37352       2.068582  -3.472534      1.804091  
1 1 1 -25 12 14 o 26.10742 0.5720606 6.811375       0.2983600 7.000154       0.4345260 6.642978       0.4103967 0.6830826      1.144121  
1 1 1 -25 12 15 o 65.36118 0.7970877 42.60885       1.039177  40.63020       1.408227  44.97453       1.539807  -3.315956      1.594175  
1 1 1 -25 12 16 o 25.23682 0.6980532 6.384244       0.3518147 6.137772       0.5047725 6.617084       0.4906120 -0.9503269     1.396106  
1 1 1 -25 12 17 o 69.20914 1.033231  48.21437       1.423823  44.16079       2.048271  52.00457       1.980613  -5.671722      2.066462  
1 1 1 -25 12 18 o 18.28001 0.6664613 3.332963       0.2432249 3.594302       0.3559429 3.104045       0.3331330 1.339846       1.332923  
1 1 1 -25 12 19 f 57.14236 0.7368683 32.60828       0.8408300 31.25555       1.150674  34.15818       1.231681  -2.535263      1.473737  
1 1 1 -25 12 20 o 16.73387 0.7376324 2.764426       0.2434079 3.506348       0.3665725 2.179331       0.3255321 3.962692       1.475265  
1 1 1 -25 12 21 f 9.709820 1.136245  0.9710662      0.2128553 0.8718656      0.3156661 1.053781       0.2882450 -1.087832      2.272491  
1 1 1 -25 12 22 o 25.18895 0.6366875 6.143232       0.3152265 7.947086       0.4975170 4.933388       0.4074478 5.977423       1.273375  
1 1 1 -25 12 23 o 35.28727 0.6301759 12.40629       0.4432633 13.14668       0.6603831 11.79919       0.5979887 1.905964       1.260352  
1 1 1 -25 12 24 o 38.67184 0.6449817 14.87263       0.4967886 16.03535       0.7451587 13.94235       0.6665292 2.701649       1.289963  
1 1 1 -25 12 25 o 54.37326 0.7933141 29.60446       0.8500109 29.66037       1.320697  29.56491       1.110609  0.7260132E-01  1.586628  
1 1 1 -25 12 26 f 29.58562 0.6205091 8.729590       0.3664629 9.448127       0.5367571 8.102233       0.5015464 2.272472       1.241018  
1 1 1 -25 12 27 o 30.46964 0.6346101 9.179551       0.3839175 7.842194       0.5137774 10.87045       0.5777112 -4.965208      1.269220  
1 1 1 -25 12 28 o 13.51408 0.8967326 1.851853       0.2352330 1.317475       0.3266398 2.427595       0.3390463 -4.106145      1.793465  
1 1 1 -25 12 29 o 68.12826 0.8350281 46.42789       1.136443  44.86925       1.561621  48.18266       1.656959  -2.423355      1.670056  
1 1 1 -25 12 30 o 30.43995 0.6426449 9.280067       0.3909972 8.875220       0.5515608 9.689031       0.5543570 -1.336554      1.285290  
1 1 1 -25 12 31 o 48.30807 0.6998176 23.08994       0.6716354 20.93987       0.8895474 25.94086       1.024319  -5.165417      1.399635  
1 1 1 -25 12 32 o 69.78978 0.8575074 48.82360       1.196838  49.05643       1.703194  48.59648       1.682170  0.3274002      1.715015  
1 1 1 -25 12 33 o 34.98580 0.6593169 12.21173       0.4600239 10.99800       0.6311004 13.58772       0.6719650 -3.697762      1.318634  
1 1 1 -25 12 34 o 45.68810 0.6968558 20.91184       0.6367259 20.65013       0.9000981 21.17398       0.9008350 -0.5732231     1.393712  
1 1 1 -25 12 35 o 36.46775 0.6673602 13.31906       0.4861797 13.37158       0.7053640 13.27152       0.6710430 0.1341057      1.334720  
1 1 1 -25 12 36 o 24.49920 0.7131677 6.027208       0.3480856 5.400339       0.4910531 6.660318       0.4934908 -2.571234      1.426335  
1 1 1 -25 12 37 o 28.56125 0.6927715 8.167003       0.3954016 8.315714       0.5729210 8.031746       0.5463869 0.4945221      1.385543  
1 1 1 -25 12 38 o 58.35690 0.7875186 34.11463       0.9186906 33.27694       1.274971  35.01925       1.324917  -1.487068      1.575037  
1 1 1 -25 12 39 o 38.44343 0.6992109 14.77296       0.5368326 15.49251       0.7853149 14.14176       0.7355211 1.751625       1.398422  
1 1 1 -25 12 40 o 77.45595 0.9413462 60.23637       1.458254  60.11179       2.063006  60.36078       2.061558  -0.1609497     1.882692  
1 1 1 -25 12 41 o 30.30006 0.7289047 9.067094       0.4382912 10.70833       0.6662546 7.814966       0.5819403 4.763882       1.457809  
1 1 1 -25 12 42 f 10.56890 1.687730  1.270094       0.3394927 0.7938161      0.6008157 1.493489       0.4114791 -3.217368      3.375461  
1 1 1 -25 12 43 o 35.87722 0.7510347 12.94009       0.5373546 12.37665       0.7792029 13.45104       0.7420275 -1.502289      1.502069  
1 1 1 -25 12 44 o 27.18065 0.8636293 7.286040       0.4547942 7.934132       0.7556219 6.917899       0.5694993 1.839327       1.727259  
1 1 1 -25 12 45 o 32.40370 0.8933653 10.55453       0.5773685 10.44180       0.8461232 10.65277       0.7898254 -0.3355103     1.786731  
1 1 1 -25 12 46 f 9.806643 1.955584  1.024692       0.3925408 0.8780193      0.6665862 1.102558       0.4856864 -0.8132496     3.911168  
1 1 1 -25 12 47 o 8.378817 1.868979  0.6371844      0.4230029 -0.2691071     0.6813545 1.205558       0.5395803 -4.562611      3.737958  
1 1 1 -25 12 48 o 18.60151 1.395061  3.509050       0.5049088 3.472627       0.8116173 3.532046       0.6448914 -0.2108154     2.790122  
1 1 1 -25 12 49 o 32.37672 1.044023  10.39546       0.6649541 11.43227       1.058208  9.718933       0.8547971 2.596428       2.088047  
1 1 1 -25 12 50 o 35.99522 1.055464  12.94011       0.7520570 13.86465       1.164424  12.27844       0.9850711 2.155766       2.110928  
1 1 1 -25 12 51 o 7.039841 1.924638  0.1790290      0.4463866 -0.7090035     0.7290855 0.7115231      0.5645747 -2.955480      3.849276  
1 1 1 -25 12 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 13 11 o 77.41187 1.348282  60.05037       2.084998  62.38841       3.040242  57.97432       2.864835  2.833000       2.696563  
1 1 1 -25 13 12 o 83.04822 0.9535887 68.98951       1.581746  66.99338       2.170213  71.25144       2.310195  -2.553383      1.907177  
1 1 1 -25 13 13 o 13.37875 0.6330339 1.803607       0.1678032 1.688059       0.2502880 1.897952       0.2261610 -0.7855997     1.266068  
1 1 1 -25 13 14 o 42.74548 0.6326441 18.08180       0.5376211 16.38135       0.7146048 20.29949       0.8160827 -4.578091      1.265288  
1 1 1 -25 13 15 f 99.94609 1.112939  100.0999       2.223511  102.2302       3.208008  98.13028       3.084656  2.040184       2.225878  
1 1 1 -25 13 16 o 37.89909 0.6161333 14.37895       0.4669002 14.19744       0.6651042 14.55531       0.6555917 -0.4726028     1.232267  
1 1 1 -25 13 17 o 60.24397 0.7609029 36.28501       0.9159082 37.61253       1.331646  35.09319       1.261757  2.086605       1.521806  
1 1 1 -25 13 18 o 53.28410 0.7082888 28.42101       0.7547528 28.81262       1.075274  28.04069       1.059660  0.7234383      1.416578  
1 1 1 -25 13 19 o 41.37313 0.6365488 17.13230       0.5266824 17.25773       0.7502921 17.01044       0.7395078 0.2982864      1.273098  
1 1 1 -25 13 20 o 16.37122 0.7139631 2.646009       0.2321116 3.088820       0.3523785 2.306628       0.3084925 2.386245       1.427926  
1 1 1 -25 13 21 o 72.45847 0.8671818 52.51052       1.255204  54.38059       1.830162  50.84961       1.724776  2.428535       1.734364  
1 1 1 -25 13 22 o 7.029899 1.379017  0.5219288      0.2097055 0.3012222      0.3207634 0.6866789      0.2771341 -2.165491      2.758034  
1 1 1 -25 13 23 o 72.30437 0.8695702 52.00969       1.251105  56.01662       1.888345  48.87465       1.670308  4.920952       1.739140  
1 1 1 -25 13 24 o 21.73448 0.6931428 4.764071       0.2990023 4.177504       0.4292141 5.317109       0.4167669 -2.622499      1.386286  
1 1 1 -25 13 25 o 57.89458 0.7575612 33.45187       0.8750032 35.25581       1.294099  31.93254       1.187628  2.861835       1.515122  
1 1 1 -25 13 26 o 28.23068 0.6452418 7.972869       0.3634063 8.071032       0.5345581 7.888517       0.4955267 0.3206253      1.290484  
1 1 1 -25 13 27 o 24.83835 0.6764681 6.195522       0.3350806 5.821511       0.4822043 6.544764       0.4659639 -1.457075      1.352936  
1 1 1 -25 13 28 o 55.04596 0.7448350 30.15940       0.8170743 28.10633       1.100201  32.68440       1.220116  -4.148716      1.489670  
1 1 1 -25 13 29 o 11.64005 1.068881  1.355445       0.2466358 1.392208       0.3767962 1.327886       0.3262335 0.2702036      2.137763  
1 1 1 -25 13 30 o 33.19010 0.6654027 11.03635       0.4414416 10.60821       0.6244394 11.46409       0.6241460 -1.289383      1.330805  
1 1 1 -25 13 31 o 7.417463 1.249357  0.5481285      0.2423464 -0.2174496     0.3747073 1.098657       0.3177513 -6.086806      2.498714  
1 1 1 -25 13 32 o 31.08156 0.6737546 9.617201       0.4168547 10.26670       0.6273515 9.103728       0.5578017 1.864861       1.347509  
1 1 1 -25 13 33 o 45.65315 0.7067522 20.89102       0.6449280 20.52985       0.9230859 21.23545       0.9014314 -0.7748146     1.413504  
1 1 1 -25 13 34 o 34.74883 0.6828832 12.07780       0.4731102 12.32372       0.7002268 11.87125       0.6417489 0.6456566      1.365766  
1 1 1 -25 13 35 o 39.53089 0.6991475 15.65807       0.5519390 14.55103       0.7741206 16.80274       0.7871621 -2.846783      1.398295  
1 1 1 -25 13 36 o 48.18807 0.7288156 23.26553       0.7020725 22.28580       0.9848965 24.27768       1.001062  -2.065071      1.457631  
1 1 1 -25 13 37 o 65.90735 0.8447134 43.55724       1.113129  43.91460       1.596344  43.21903       1.552956  0.5223312      1.689427  
1 1 1 -25 13 38 o 26.34886 0.7544607 6.902082       0.3940964 7.377575       0.6061144 6.553838       0.5187104 1.553141       1.508921  
1 1 1 -25 13 39 o 51.78556 0.7672523 26.78595       0.7917013 28.05476       1.181412  25.75170       1.066635  2.209183       1.534505  
1 1 1 -25 13 40 o 20.79659 0.8923704 4.277503       0.3665836 4.742751       0.5750863 3.959069       0.4757743 1.868668       1.784741  
1 1 1 -25 13 41 o 46.06054 0.7500314 21.14899       0.6878170 22.56073       1.033786  20.02767       0.9213373 2.734821       1.500063  
1 1 1 -25 13 42 o 28.12564 0.8046437 8.021554       0.4473597 7.200178       0.6630170 8.708024       0.6061280 -2.688669      1.609287  
1 1 1 -25 13 43 o 30.84836 0.8268087 9.608334       0.4994135 9.258210       0.7834755 9.847960       0.6481634 -0.9768333     1.653617  
1 1 1 -25 13 44 o 46.40753 0.8753532 21.60678       0.8118679 20.49485       1.129739  22.79428       1.167501  -2.470867      1.750706  
1 1 1 -25 13 45 o 10.43346 1.953776  1.185437       0.4127645 0.9214488      0.6746247 1.343393       0.5218399 -1.709597      3.907552  
1 1 1 -25 13 46 o 34.91438 1.005715  12.17332       0.6947370 12.89475       1.076015  11.65758       0.9097854 1.734337       2.011429  
1 1 1 -25 13 47 f 27.72249 1.069551  7.766689       0.5878959 7.525586       0.8839027 7.957962       0.7872812 -0.8026085     2.139101  
1 1 1 -25 13 48 o 27.00105 1.090245  7.309158       0.5796632 7.562684       0.9094263 7.135679       0.7522839 0.7510071      2.180490  
1 1 1 -25 13 49 o 23.76770 1.171252  5.706327       0.5483105 5.689705       0.8519136 5.718083       0.7164242 -0.9926605E-01 2.342505  
1 1 1 -25 13 50 o 24.15673 1.205189  5.838733       0.5736483 6.208352       0.9027942 5.588445       0.7429027 1.235994       2.410379  
1 1 1 -25 13 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 14 1  o 57.06030 1.400580  32.82296       1.503431  33.00180       1.840195  32.46397       2.607210  0.5730133      2.801159  
1 1 1 -25 14 2  o 42.10600 1.063221  17.76594       0.8939616 17.50837       1.226548  18.05781       1.305663  -0.6446114     2.126441  
1 1 1 -25 14 3  o 55.14360 1.121287  30.50793       1.235868  30.55087       1.718451  30.46193       1.778666  0.8677673E-01  2.242573  
1 1 1 -25 14 4  o 18.88106 1.400824  3.664637       0.5127120 4.644006       0.7200503 2.657394       0.7302252 5.262089       2.801648  
1 1 1 -25 14 5  o 64.70436 1.209887  41.95411       1.563696  40.82671       2.147309  43.22693       2.281596  -1.840546      2.419773  
1 1 1 -25 14 6  o 25.14427 1.179080  6.367205       0.5885715 7.311364       0.8371947 5.444520       0.8276197 3.711296       2.358160  
1 1 1 -25 14 7  o 41.64261 1.047070  17.38531       0.8713701 17.34240       1.207897  17.43188       1.258251  -0.1029205     2.094141  
1 1 1 -25 14 8  o 26.24238 1.156084  6.868087       0.6043119 6.071070       0.8230265 7.800449       0.8901691 -3.288422      2.312168  
1 1 1 -25 14 9  o 28.26711 1.111564  8.017922       0.6243511 9.258128       0.8983423 6.859137       0.8683529 4.240627       2.223128  
1 1 1 -25 14 10 o 34.77900 1.041383  12.07346       0.7224535 11.41046       0.9791304 12.86575       1.070361  -2.084160      2.082766  
1 1 1 -25 14 11 o 66.93002 1.227450  44.95132       1.642920  45.78436       2.337893  44.13856       2.309250  1.226524       2.454901  
1 1 1 -25 14 12 o 21.19620 1.266569  4.531339       0.5336720 5.068834       0.7512083 3.983656       0.7582939 2.560596       2.533138  
1 1 1 -25 14 13 o 62.92189 1.190640  39.66538       1.497130  41.32475       2.170794  38.16016       2.067505  2.504242       2.381280  
1 1 1 -25 14 14 o 43.24395 1.040794  18.68710       0.8986573 19.97339       1.316315  17.56419       1.229871  2.777885       2.081589  
1 1 1 -25 14 15 o 48.61434 1.074834  23.57234       1.042212  25.83178       1.539441  21.66047       1.416093  4.278759       2.149667  
1 1 1 -25 14 16 o 75.46921 1.122885  56.87491       1.565228  57.80880       2.829599  56.46316       1.878860  0.7997971      2.245771  
1 1 1 -25 14 17 o 54.19698 0.7885157 28.98676       0.8306189 31.20955       1.365748  27.68197       1.046383  3.232063       1.577031  
1 1 1 -25 14 18 o 66.73703 1.058135  43.49330       1.260967  42.13440       1.470151  47.27534       2.452626  -3.758949      2.116271  
1 1 1 -25 14 19 f 66.65439 0.8180382 44.47929       1.090002  45.34994       1.570907  43.67092       1.513676  1.255135       1.636076  
1 1 1 -25 14 20 f 74.82271 0.8870845 56.06985       1.326861  55.03958       1.842737  57.17917       1.912116  -1.423851      1.774169  
1 1 1 -25 14 21 o 49.53986 0.6915677 24.56366       0.6850071 25.03868       0.9832577 24.11568       0.9548590 0.9296150      1.383135  
1 1 1 -25 14 22 o 68.39954 0.8382898 46.74465       1.144372  48.90224       1.685892  44.90107       1.558389  2.913895       1.676580  
1 1 1 -25 14 23 o 58.42876 0.7593032 34.18222       0.8869338 34.68870       1.276295  33.70918       1.233431  0.8348198      1.518606  
1 1 1 -25 14 24 o 55.63678 0.7420346 30.85606       0.8231138 32.85922       1.224558  29.20506       1.111723  3.275146       1.484069  
1 1 1 -25 14 25 o 32.65768 0.6440930 10.67404       0.4201826 10.76821       0.6106217 10.58935       0.5790874 0.2716713      1.288186  
1 1 1 -25 14 26 o 60.03410 0.7774321 36.02213       0.9318646 37.54213       1.367126  34.70308       1.273555  2.356529       1.554864  
1 1 1 -25 14 27 o 36.25714 0.6517444 13.16022       0.4724369 13.28954       0.6786546 13.03862       0.6580740 0.3445053      1.303489  
1 1 1 -25 14 28 o 52.20111 0.7287625 27.16528       0.7585008 28.96170       1.128117  25.68316       1.024690  3.131413       1.457525  
1 1 1 -25 14 29 o 15.20418 0.8915992 2.284975       0.2691424 2.623029       0.4113224 2.031866       0.3559117 1.938045       1.783198  
1 1 1 -25 14 30 o 33.73719 0.6632573 11.38588       0.4466147 11.61099       0.6555420 11.19089       0.6101187 0.6187935      1.326515  
1 1 1 -25 14 31 o 16.81993 0.8522193 2.843294       0.2849539 2.773538       0.4241557 2.900675       0.3846987 -0.3823566     1.704439  
1 1 1 -25 14 32 o 28.06575 0.6916869 7.846845       0.3869058 8.420547       0.5773598 7.379205       0.5212647 1.849937       1.383374  
1 1 1 -25 14 33 f 49.35365 0.7325404 24.24874       0.7206939 22.25240       0.9740120 26.66405       1.071359  -4.459679      1.465081  
1 1 1 -25 14 34 f 48.82837 0.7302185 23.89580       0.7130205 23.56473       1.011032  24.22339       1.005716  -0.6750031     1.460437  
1 1 1 -25 14 35 o 29.01916 0.7205084 8.454611       0.4168555 8.221187       0.6093613 8.659932       0.5715036 -0.7599316     1.441017  
1 1 1 -25 14 36 o 58.38804 0.7923213 34.18344       0.9251557 33.67225       1.309091  34.69351       1.307645  -0.8747139     1.584643  
1 1 1 -25 14 37 o 37.16750 0.7108176 13.75417       0.5258020 14.73724       0.7924565 12.98099       0.7027856 2.352634       1.421635  
1 1 1 -25 14 38 o 60.76946 0.8153629 37.04975       0.9907911 36.88253       1.413386  37.21132       1.389305  -0.2738495     1.630726  
1 1 1 -25 14 39 o 26.50568 0.7844965 7.006391       0.4119047 7.331492       0.6334739 6.768253       0.5421682 1.049904       1.568993  
1 1 1 -25 14 40 o 39.34842 0.7365829 15.46328       0.5768273 16.12141       0.8666248 14.93979       0.7729092 1.489296       1.473166  
1 1 1 -25 14 41 o 42.87079 0.8079959 18.44284       0.6814671 18.42635       1.063874  18.45432       0.8874258 -0.5826569E-01 1.615992  
1 1 1 -25 14 42 o 30.38144 0.8949619 9.029633       0.5158301 10.02177       0.9029562 8.548997       0.6284758 2.377014       1.789924  
1 1 1 -25 14 43 o 46.56290 1.011875  21.78703       0.9405299 19.98607       1.309688  23.70486       1.351518  -3.984882      2.023749  
1 1 1 -25 14 44 o 30.47032 0.9942487 9.182746       0.5979554 10.28397       0.9419096 8.439334       0.7739028 2.992014       1.988497  
1 1 1 -25 14 45 o 31.98907 0.9861846 10.11593       0.6225537 11.38340       0.9817864 9.263582       0.8051146 3.274364       1.972369  
1 1 1 -25 14 46 o 22.41763 1.179949  5.004503       0.5207396 5.426571       0.8248191 4.724776       0.6714821 1.525141       2.359898  
1 1 1 -25 14 47 o 38.66345 1.026746  15.04356       0.7893112 15.13457       1.183380  14.97063       1.059393  0.1823997      2.053491  
1 1 1 -25 14 48 o 42.74411 1.026256  18.42615       0.8757539 18.04607       1.269392  18.77136       1.209765  -0.8637276     2.052511  
1 1 1 -25 14 49 o 15.23495 1.603276  2.314014       0.4774768 2.586792       0.7771131 2.148583       0.6051854 1.370713       3.206553  
1 1 1 -25 14 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 15 1  o 55.52311 1.135374  30.86246       1.258404  29.65965       1.716616  32.25972       1.850184  -2.325539      2.270748  
1 1 1 -25 15 2  o 16.48313 1.578778  2.736328       0.5154295 2.732879       0.6830097 2.740891       0.7855552 -0.7482529E-02 3.157555  
1 1 1 -25 15 3  o 24.86578 1.218598  6.154624       0.6030379 5.420172       0.8129689 7.053108       0.8991819 -3.272676      2.437196  
1 1 1 -25 15 4  o 24.64857 1.200279  5.954289       0.5841309 4.904389       0.7644739 7.427228       0.9054844 -5.100439      2.400557  
1 1 1 -25 15 5  o 45.53343 1.077197  20.45876       0.9714249 18.43729       1.270132  23.30774       1.507858  -5.322556      2.154394  
1 1 1 -25 15 6  o 57.47393 1.148463  33.13354       1.319309  32.61172       1.828179  33.70061       1.905809  -0.9385109     2.296926  
1 1 1 -25 15 7  o 49.70428 1.101871  24.77352       1.094814  24.36541       1.520058  25.21344       1.578179  -0.8468437     2.203742  
1 1 1 -25 15 8  o 38.34499 1.071424  14.48992       0.8143857 12.64804       1.071251  17.01199       1.253544  -5.671589      2.142848  
1 1 1 -25 15 9  f 64.11223 1.206757  41.25809       1.547206  42.03524       2.203771  40.50269       2.172717  1.191631       2.413514  
1 1 1 -25 15 10 o 26.94207 1.157797  7.327213       0.6198828 8.128465       0.8664811 6.487226       0.8871785 3.048132       2.315594  
1 1 1 -25 15 11 o 65.57672 1.218865  43.17689       1.598445  43.33507       2.248142  43.01516       2.273150  0.2468185      2.437731  
1 1 1 -25 15 12 o 22.68197 1.204463  5.183968       0.5437707 5.733822       0.7660055 4.625408       0.7720458 2.444071       2.408926  
1 1 1 -25 15 13 o 65.56015 1.218150  43.15250       1.596975  43.03419       2.236713  43.27552       2.280862  -0.1788788     2.436300  
1 1 1 -25 15 14 o 20.99812 0.5440415 4.418219       0.2280527 4.107477       0.3224934 4.729045       0.3225372 -1.480055      1.088083  
1 1 1 -25 15 15 o 12.16810 0.7290667 1.526385       0.1718411 1.133564       0.2499045 1.878717       0.2366748 -3.062836      1.458133  
1 1 1 -25 15 16 o 44.22812 0.6481194 19.54357       0.5725161 20.34611       0.8368524 18.83748       0.7849569 1.702145       1.296239  
1 1 1 -25 15 17 o 42.20441 0.6379991 17.77409       0.5374963 18.78873       0.7906362 16.90219       0.7329109 2.231255       1.275998  
1 1 1 -25 15 18 o 85.69843 1.249056  73.08643       1.963773  72.06459       2.341276  75.51116       3.606572  -1.850761      2.498113  
1 1 1 -25 15 19 o 22.82353 1.000303  5.553963       0.3777194 5.846559       0.4337814 4.636374       0.7681772 2.683594       2.000605  
1 1 1 -25 15 20 o 48.69728 1.090002  23.79622       1.061568  24.03213       1.508122  23.56453       1.494539  0.4785538      2.180004  
1 1 1 -25 15 21 o 14.63409 1.773166  2.201174       0.5056542 1.979267       0.7154423 2.422661       0.7147642 -1.738890      3.546331  
1 1 1 -25 15 22 o 72.16389 1.300021  52.15080       1.871940  55.12440       2.764887  49.63416       2.543585  3.773170       2.600043  
1 1 1 -25 15 23 f 22.71588 1.307565  5.156467       0.5882635 4.224969       0.8008476 6.248052       0.8669375 -4.443598      2.615130  
1 1 1 -25 15 24 o 72.80092 1.179914  52.74812       1.655211  55.03709       2.762420  51.46600       2.067443  2.360519       2.359829  
1 1 1 -25 15 25 o 72.56316 1.121028  52.01291       1.477379  54.92435       2.775227  50.86155       1.745224  2.667526       2.242057  
1 1 1 -25 15 26 o 24.07481 0.7799491 5.493982       0.3554602 6.781538       0.6363803 4.910103       0.4285440 3.867235       1.559898  
1 1 1 -25 15 27 o 34.27780 0.6640854 11.72248       0.4535225 12.26273       0.6772171 11.28316       0.6106855 1.423401       1.328171  
1 1 1 -25 15 28 o 14.51561 0.9484428 2.015209       0.2654085 2.986116       0.4244029 1.391626       0.3401238 5.482268       1.896886  
1 1 1 -25 15 29 f 47.28472 0.7031186 22.38624       0.6644028 22.72313       0.9619256 22.07889       0.9187740 0.6772194      1.406237  
1 1 1 -25 15 30 o 24.19540 0.7138483 5.683644       0.3400255 7.093441       0.5394578 4.754344       0.4379831 4.823965       1.427697  
1 1 1 -25 15 31 o 55.52626 0.7623635 30.89884       0.8465829 30.47770       1.192328  31.32700       1.202232  -0.7637405     1.524727  
1 1 1 -25 15 32 o 20.23911 0.8030653 4.091693       0.3235646 4.256360       0.4851578 3.959775       0.4342429 0.7269554      1.606131  
1 1 1 -25 15 33 o 48.60114 0.7252155 23.66968       0.7047377 22.92475       0.9913285 24.43081       1.002057  -1.548286      1.450431  
1 1 1 -25 15 34 o 37.68932 0.6990492 14.24301       0.5258247 13.08785       0.7390321 15.42736       0.7483116 -3.102734      1.398098  
1 1 1 -25 15 35 o 32.76928 0.7116476 10.82226       0.4637701 9.827364       0.6698523 11.73822       0.6427281 -2.918550      1.423295  
1 1 1 -25 15 36 o 25.38573 0.7672213 6.505534       0.3846396 6.159937       0.5835338 6.771057       0.5114843 -1.212685      1.534443  
1 1 1 -25 15 37 o 69.04858 1.045191  48.20209       1.383872  46.97036       2.296553  48.90434       1.734059  -1.501419      2.090381  
1 1 1 -25 15 38 o 52.64680 1.013618  27.86412       1.066998  27.15749       1.509905  28.56898       1.508021  -1.340862      2.027236  
1 1 1 -25 15 39 o 90.08154 1.810182  82.72611       3.065141  81.73991       5.315536  83.21739       3.751704  -1.313713      3.620363  
1 1 1 -25 15 40 o 68.18443 1.188870  46.82766       1.621105  45.96777       2.279821  47.70708       2.305573  -1.269814      2.377740  
1 1 1 -25 15 41 o 48.75628 1.007691  23.90895       0.9808680 23.83850       1.429366  23.97166       1.348479  -0.1524658     2.015383  
1 1 1 -25 15 42 f 58.18250 1.090620  34.08705       1.268307  33.86148       1.822789  34.29875       1.765878  -0.3881798     2.181241  
1 1 1 -25 15 43 o 6.958697 1.942666  0.2722019      0.3856559 0.3838641      0.6438000 0.2097081      0.4816328 1.276736       3.885332  
1 1 1 -25 15 44 o 30.90052 1.247499  9.479283       0.6843528 9.997692       1.332806  9.293667       0.7975127 0.9941788      2.494999  
1 1 1 -25 15 45 o 17.64889 1.901127  3.449276       0.5188118 2.877721       1.101330  3.612287       0.5881607 -2.570112      3.802255  
1 1 1 -25 15 46 o 12.12890 2.368984  0.000000       0.000000  ?              ?         1.547344       0.5541656 ?              ?         
1 1 1 -25 15 47 o 45.21219 2.117834  0.000000       0.000000  ?              ?         20.76822       1.915038  ?              ?         
1 1 1 -25 15 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 15 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 16 1  o 33.52961 1.123857  11.29412       0.7526823 11.99915       1.067731  10.59768       1.061206  2.089069       2.247713  
1 1 1 -25 16 2  o 43.58535 1.108717  18.96053       0.9631382 21.28756       1.419197  16.97372       1.311353  4.935539       2.217434  
1 1 1 -25 16 3  o 13.33658 1.962456  1.854474       0.5242584 0.9581636      0.7231985 2.847136       0.7610776 -6.941726      3.924913  
1 1 1 -25 16 4  f 10.94040 1.984932  1.156245       0.4954555 2.165326       0.7253495 0.2736504      0.6783674 6.962411       3.969864  
1 1 1 -25 16 5  o 11.66005 2.103567  1.431083       0.4924375 1.462415       0.6871374 1.398000       0.7060719 0.2519255      4.207134  
1 1 1 -25 16 6  o 28.36091 1.161180  8.029794       0.6567640 7.390923       0.8907101 8.790983       0.9722459 -2.458300      2.322360  
1 1 1 -25 16 7  o 39.11716 1.080485  15.35660       0.8451245 15.73871       1.195853  14.97534       1.194521  0.9756012      2.160971  
1 1 1 -25 16 8  o 17.57695 1.539970  3.136648       0.5328518 2.483929       0.7482949 3.808089       0.7589504 -3.765058      3.079940  
1 1 1 -25 16 9  o 13.94925 1.801274  2.016084       0.4864597 1.568326       0.6822624 2.479112       0.6937985 -3.478368      3.602548  
1 1 1 -25 16 10 o 29.61567 1.138915  8.647347       0.6667246 10.76042       1.015122  7.044304       0.8841667 6.258343       2.277830  
1 1 1 -25 16 11 o 32.70530 1.106462  10.62788       0.7201107 9.498977       0.9649281 12.04694       1.081853  -3.881790      2.212925  
1 1 1 -25 16 12 o 70.70392 1.280510  50.23304       1.810602  50.19810       2.544448  50.26888       2.577018  -0.4567719E-01 2.561020  
1 1 1 -25 16 13 o 74.09482 1.318608  55.11677       1.952174  53.73616       2.690842  56.65090       2.836496  -1.946739      2.637216  
1 1 1 -25 16 14 o 44.55718 1.087037  19.91727       0.9684569 19.67585       1.351409  20.17215       1.388556  -0.5526772     2.174073  
1 1 1 -25 16 15 o 48.70578 0.6732876 23.69945       0.6550810 22.55564       0.9005793 24.98468       0.9546306 -2.489746      1.346575  
1 1 1 -25 16 16 o 104.0037 1.157624  108.5257       2.406582  106.4408       3.336540  110.7866       3.474492  -2.072342      2.315249  
1 1 1 -25 16 17 o 36.41895 0.6129022 13.20082       0.4450425 14.32177       0.6616567 12.27468       0.6014174 2.806519       1.225804  
1 1 1 -25 16 18 o 51.63278 0.7039852 26.69713       0.7269253 26.27621       1.022555  27.12718       1.033589  -0.8232155     1.407970  
1 1 1 -25 16 19 o 83.47423 0.9704077 69.88290       1.620057  70.15719       2.298765  69.61223       2.283523  0.3247833      1.940815  
1 1 1 -25 16 20 o 43.40781 0.6655317 18.86970       0.5777380 18.57429       0.8164422 19.16598       0.8176491 -0.6814651     1.331063  
1 1 1 -25 16 21 o 72.61050 0.8758263 52.85056       1.271825  52.45725       1.788138  53.25324       1.809313  -0.5459824     1.751653  
1 1 1 -25 16 22 o 46.54926 0.6849307 21.69354       0.6374487 22.01998       0.9157435 21.38665       0.8878796 0.6780357      1.369861  
1 1 1 -25 16 23 o 112.4038 1.246048  127.0109       2.801159  127.5824       3.976130  126.4478       3.946906  0.5002823      2.492096  
1 1 1 -25 16 24 o 64.82922 0.8187236 42.07067       1.060559  43.38510       1.540801  40.88721       1.462011  1.918526       1.637447  
1 1 1 -25 16 25 o 66.10033 0.8308476 43.78788       1.098102  44.35590       1.574523  43.24996       1.532242  0.8320923      1.661695  
1 1 1 -25 16 26 f 62.55089 0.8060878 39.20602       1.008161  39.81385       1.446162  38.63133       1.406189  0.9410248      1.612176  
1 1 1 -25 16 27 o 94.58591 1.081289  89.85249       2.045335  89.15691       2.870961  90.56939       2.914613  -0.7403412     2.162578  
1 1 1 -25 16 28 f 19.20254 0.8759313 3.672849       0.3352438 3.359521       0.4527316 4.053228       0.4988256 -1.800808      1.751863  
1 1 1 -25 16 29 o 64.08951 0.8986658 41.35553       1.142475  42.50610       1.533538  39.92048       1.712670  2.039211       1.797332  
1 1 1 -25 16 30 o 33.70821 0.9413686 10.75744       0.5558932 10.12736       0.6375339 12.75579       1.135385  -3.833305      1.882737  
1 1 1 -25 16 31 o 35.83958 0.9552702 13.43750       0.6232624 14.33465       0.7554657 11.52549       1.102872  3.965450       1.910540  
1 1 1 -25 16 32 o 26.82383 0.9891521 7.199807       0.4890577 7.161276       0.5863919 7.287847       0.8863807 -0.1932220     1.978304  
1 1 1 -25 16 33 o 12.36765 2.123261  1.614662       0.5277210 1.182940       0.7356121 2.072446       0.7574893 -3.350633      4.246523  
1 1 1 -25 16 34 o 36.48166 1.809187  13.40893       1.320043  13.40893       1.320043  ?              ?         ?              ?         
1 1 1 -25 16 35 o 24.01523 2.001544  5.823594       0.9613510 5.823594       0.9613510 ?              ?         ?              ?         
1 1 1 -25 16 36 o 45.72667 1.926590  21.10255       1.761931  21.10255       1.761931  ?              ?         ?              ?         
1 1 1 -25 16 37 o 31.75538 1.578810  10.14683       1.002714  10.14683       1.002714  ?              ?         ?              ?         
1 1 1 -25 16 38 o 70.09541 1.479972  50.36223       1.810094  51.10668       2.107571  48.26931       3.533808  2.390083       2.959944  
1 1 1 -25 16 39 o 22.99192 1.877336  5.257664       0.7776490 5.686873       1.485922  5.095766       0.9126037 1.084656       3.754671  
1 1 1 -25 16 40 o 52.08207 1.482935  27.29298       1.544686  27.29298       1.544686  ?              ?         ?              ?         
1 1 1 -25 16 41 o 18.72783 1.345381  3.554311       0.5023871 3.770682       0.6995077 3.323807       0.7219909 1.199215       2.690761  
1 1 1 -25 16 42 o 23.22484 1.145965  5.640427       0.5100012 3.941520       0.7408721 7.170561       0.7031099 -6.960918      2.291931  
1 1 1 -25 16 43 o 12.49819 1.736874  1.782512       0.4035814 1.099043       0.6571238 2.196450       0.5113940 -4.506627      3.473747  
1 1 1 -25 16 44 o 4.780014 1.588534  -0.5014425     0.3687959 -0.7803298     0.6510861 -0.3696911     0.4475089 0.5247874      3.177069  
1 1 1 -25 16 45 o 41.86920 1.006648  17.60907       0.8376006 18.01158       1.263689  17.29366       1.118625  0.8223763      2.013296  
1 1 1 -25 16 46 o 42.11728 1.007845  17.90177       0.8455580 17.44301       1.243632  18.29617       1.153093  -1.035805      2.015689  
1 1 1 -25 16 47 o 26.61034 1.106286  7.166038       0.5807510 6.981877       0.8919052 7.301587       0.7651916 -0.6347923     2.212571  
1 1 1 -25 16 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 17 1  o 26.95660 1.247753  7.337824       0.6604979 9.196821       0.9547303 5.631360       0.9147239 6.607248       2.495507  
1 1 1 -25 17 2  o 64.80927 1.237950  42.08731       1.600941  40.30662       2.176414  44.18686       2.363256  -2.965393      2.475900  
1 1 1 -25 17 3  o 26.10196 1.247882  6.879782       0.6480924 7.578220       0.9086130 6.156424       0.9246805 2.725933       2.495764  
1 1 1 -25 17 4  o 33.14057 1.112633  11.02781       0.7371008 11.50074       1.048677  10.56599       1.036270  1.408653       2.225267  
1 1 1 -25 17 5  o 49.71841 1.122257  24.71135       1.112833  23.39572       1.506610  26.29090       1.650825  -2.892658      2.244514  
1 1 1 -25 17 6  f 27.89659 1.180144  7.818825       0.6582806 8.019427       0.9312132 7.618451       0.9306857 0.7186108      2.360288  
1 1 1 -25 17 7  o 13.48496 1.904346  1.888978       0.5117984 0.8447762      0.6967437 3.112684       0.7542573 -8.184602      3.808692  
1 1 1 -25 17 8  f 26.75843 1.185282  7.197373       0.6332375 7.725341       0.8995410 6.678711       0.8915782 1.954626       2.370563  
1 1 1 -25 17 9  o 24.27631 1.250501  5.912565       0.6064709 5.543695       0.8397020 6.314806       0.8768632 -1.582922      2.501001  
1 1 1 -25 17 10 o 21.19342 1.367240  4.501534       0.5723211 3.595347       0.7821138 5.546132       0.8397220 -4.593506      2.734481  
1 1 1 -25 17 11 o 37.62797 1.090195  14.18532       0.8193601 13.70625       1.124213  14.72814       1.196679  -1.348938      2.180389  
1 1 1 -25 17 12 o 37.82550 1.087974  14.16098       0.8172754 12.43002       1.084747  16.43362       1.242940  -5.272659      2.175947  
1 1 1 -25 17 13 o 30.02072 1.140603  9.053319       0.6832875 9.858122       0.9750410 8.276697       0.9578179 2.631655       2.281206  
1 1 1 -25 17 14 o 23.48658 1.238774  5.542495       0.5817351 5.725580       0.8287631 5.364673       0.8167635 0.7666187      2.477547  
1 1 1 -25 17 15 o 54.00516 0.7144790 29.19886       0.7714992 29.91005       1.106794  28.52671       1.075987  1.278202       1.428958  
1 1 1 -25 17 16 o 9.466337 0.8388609 0.8716664      0.1536717 1.249967       0.2388083 0.6043099      0.2007595 3.406631       1.677722  
1 1 1 -25 17 17 o 48.42165 0.6828101 23.41705       0.6602833 22.22591       0.9046590 24.77494       0.9659109 -2.627174      1.365620  
1 1 1 -25 17 18 o 41.00004 0.6475912 16.73339       0.5290530 17.99095       0.7909961 15.71543       0.7116639 2.768867       1.295182  
1 1 1 -25 17 19 o 36.55562 1.123996  13.17367       0.8139929 11.22420       1.073180  15.81446       1.249053  -6.254391      2.247992  
1 1 1 -25 17 20 o 36.50320 0.6365786 13.34562       0.4646151 13.25825       0.6636651 13.42960       0.6506580 -0.2357254     1.273157  
1 1 1 -25 17 21 o 5.711021 1.361046  0.3047173      0.1895118 0.1672278      0.2945156 0.4018728      0.2475752 -1.125525      2.722091  
1 1 1 -25 17 22 o 50.80580 0.7149705 25.85303       0.7263609 26.24939       1.039437  25.47476       1.015442  0.7601166      1.429941  
1 1 1 -25 17 23 o 26.82093 0.6424878 7.173385       0.3434879 7.573647       0.5116760 6.845046       0.4634300 1.354168       1.284976  
1 1 1 -25 17 24 o 64.13696 0.8163823 41.21622       1.046762  42.01355       1.507167  40.47322       1.454904  1.195080       1.632765  
1 1 1 -25 17 25 f 53.02757 0.7407084 28.15653       0.7849616 28.71193       1.136583  27.65003       1.085392  0.9961243      1.481417  
1 1 1 -25 17 26 o 66.59044 0.8410501 44.42178       1.119242  45.48823       1.621826  43.45203       1.546551  1.520233       1.682100  
1 1 1 -25 17 27 o 34.00129 0.6689816 11.51244       0.4528473 12.27812       0.6808427 10.90497       0.6064408 2.012299       1.337963  
1 1 1 -25 17 28 o 68.67973 0.8603299 47.28767       1.181231  48.07414       1.700732  46.55472       1.641849  1.098862       1.720660  
1 1 1 -25 17 29 o 39.00652 0.7811960 15.32026       0.5875822 14.99835       0.9640152 15.51054       0.7411723 -0.6817093     1.562392  
1 1 1 -25 17 30 o 48.56376 0.8953010 23.33955       0.8513024 25.20557       1.371631  22.17037       1.085723  3.087265       1.790602  
1 1 1 -25 17 31 o 46.88832 0.9184622 22.06011       0.8600544 22.16662       1.251805  21.96488       1.183656  0.2055244      1.836924  
1 1 1 -25 17 32 o 28.71486 0.8799154 8.340977       0.4989542 6.813531       0.7046342 9.877069       0.7066256 -5.334127      1.759831  
1 1 1 -25 17 33 o 49.75423 0.9583041 24.75266       0.9489588 25.96444       1.426642  23.79103       1.270883  2.158401       1.916608  
1 1 1 -25 17 34 o 33.28345 0.7333502 11.11178       0.4878432 10.97742       0.7003567 11.23841       0.6799258 -0.3946991     1.466700  
1 1 1 -25 17 35 o 32.57295 0.7214870 10.48900       0.4658681 11.75692       0.7196391 9.574305       0.6112299 3.336533       1.442974  
1 1 1 -25 17 36 o 5.743073 1.600629  0.1909934      0.2716698 -0.8602603E-01 0.4843974 0.3181119      0.3281338 -0.6077404     3.201258  
1 1 1 -25 17 37 o 37.79860 0.7778041 14.42776       0.5802960 13.69535       0.8828456 14.98490       0.7700037 -1.722134      1.555608  
1 1 1 -25 17 38 o 24.01660 0.9468955 5.958311       0.4331719 5.221151       0.7069902 6.401362       0.5480992 -2.485954      1.893791  
1 1 1 -25 17 39 o 56.51088 1.293320  32.18504       1.401184  32.05373       1.747235  32.42168       2.345469  -0.1721802     2.586640  
1 1 1 -25 17 40 o 21.44147 1.096626  4.693243       0.4543549 4.375025       0.7311335 4.893453       0.5799320 -1.243971      2.193253  
1 1 1 -25 17 41 o 43.15004 0.9635490 18.72062       0.8282581 18.81394       1.228414  18.64283       1.121536  0.1753273      1.927098  
1 1 1 -25 17 42 o 30.83202 0.9869054 9.658231       0.6000198 8.912677       0.9072306 10.23791       0.7999675 -2.172409      1.973811  
1 1 1 -25 17 43 o 41.68251 0.9924948 17.55849       0.8239247 16.20500       1.187343  18.81555       1.144262  -3.141327      1.984990  
1 1 1 -25 17 44 o 27.72167 1.028484  7.671592       0.5601583 8.107368       0.8892005 7.384872       0.7212681 1.260527       2.056967  
1 1 1 -25 17 45 o 29.72377 1.017522  8.853932       0.5954831 9.153159       0.9344505 8.649330       0.7726992 0.8067036      2.035045  
1 1 1 -25 17 46 o 30.62062 1.378773  9.808873       0.7291382 8.876711       1.422561  10.14102       0.8491626 -2.250429      2.757545  
1 1 1 -25 18 1  o 18.02532 1.610230  3.311388       0.5744542 3.772031       0.8011692 2.823977       0.8241186 2.634726       3.220459  
1 1 1 -25 18 2  o 43.13548 1.124028  18.45970       0.9633042 16.59864       1.276934  20.91767       1.467494  -4.977673      2.248056  
1 1 1 -25 18 3  o 47.85866 1.139791  22.99612       1.090046  22.56577       1.505350  23.47051       1.580512  -0.9338837     2.279583  
1 1 1 -25 18 4  f 51.74563 1.140215  26.72907       1.175308  25.01251       1.578174  28.86663       1.761103  -3.696808      2.280430  
1 1 1 -25 18 5  o 34.93925 1.121820  12.23091       0.7828611 11.53853       1.075557  13.01101       1.141663  -2.097591      2.243639  
1 1 1 -25 18 6  o 37.78925 1.116400  14.31450       0.8428085 13.69597       1.159014  15.00861       1.227778  -1.726944      2.232801  
1 1 1 -25 18 7  f 9.513159 2.249206  0.8687176      0.5045148 0.9696999      0.7129169 0.7674091      0.7140677 0.7267313      4.498411  
1 1 1 -25 18 8  o 34.68654 1.140262  12.02869       0.7890489 11.03295       1.075375  13.19000       1.161345  -3.096954      2.280523  
1 1 1 -25 18 9  o 44.56181 1.112057  19.89954       0.9899353 18.97312       1.360757  20.94103       1.442802  -2.196594      2.224115  
1 1 1 -25 18 10 o 42.07899 1.114284  17.78436       0.9374884 17.77992       1.310130  17.78902       1.342064  -0.6340027E-02 2.228567  
1 1 1 -25 18 11 o 55.19282 1.169138  30.58832       1.289922  29.94367       1.790243  31.28435       1.860219  -1.204277      2.338277  
1 1 1 -25 18 12 o 18.27321 1.511319  3.367335       0.5521482 3.295355       0.7848946 3.437852       0.7768779 -0.3914318     3.022638  
1 1 1 -25 18 13 o 28.13817 1.211496  7.926386       0.6794479 8.913592       0.9933232 7.058372       0.9314293 3.287170       2.422992  
1 1 1 -25 18 14 o 53.70060 1.167253  28.98281       1.253464  29.39961       1.767293  28.56090       1.778089  0.7825165      2.334505  
1 1 1 -25 18 15 o 33.22138 1.154186  11.00951       0.7640301 10.10845       1.028962  12.11681       1.140653  -3.006182      2.308372  
1 1 1 -25 18 16 o 19.34749 0.5618253 3.764725       0.2162427 3.354535       0.3082253 4.162323       0.3034573 -2.087919      1.123651  
1 1 1 -25 18 17 o 43.29483 0.6547508 18.67517       0.5653927 17.39212       0.7662006 20.20904       0.8377539 -3.247047      1.309502  
1 1 1 -25 18 18 o 68.78856 0.8445423 47.43412       1.161681  47.97967       1.662230  46.91327       1.624163  0.7708817      1.689085  
1 1 1 -25 18 19 o 38.10694 0.6309704 14.54347       0.4808511 14.52618       0.6840024 14.56036       0.6761185 -0.4550934E-01 1.261941  
1 1 1 -25 18 20 o 54.97687 0.7375976 30.16029       0.8088769 32.01252       1.198343  28.61006       1.096305  3.084286       1.475195  
1 1 1 -25 18 21 o 26.25953 0.6221097 6.896163       0.3261288 7.058924       0.4780936 6.754514       0.4460079 0.5769100      1.244219  
1 1 1 -25 18 22 o 24.22232 0.6421253 5.875444       0.3100494 5.890060       0.4576926 5.863051       0.4214932 0.5258179E-01  1.284251  
1 1 1 -25 18 23 o 56.56039 0.7625732 32.06283       0.8626200 32.25462       1.222776  31.87281       1.217102  0.3369255      1.525146  
1 1 1 -25 18 24 o 12.33092 1.014118  1.595572       0.2387189 1.216969       0.3678179 1.871109       0.3137832 -2.659890      2.028237  
1 1 1 -25 18 25 o 46.87507 0.7078010 21.98251       0.6629287 20.72710       0.9185467 23.34731       0.9577257 -2.790871      1.415602  
1 1 1 -25 18 26 o 29.87394 0.7409569 8.944534       0.4306047 8.945777       0.6948928 8.943760       0.5486374 -0.1234818E-01 1.481914  
1 1 1 -25 18 27 o 8.760733 1.568228  0.7995267      0.2676313 0.8141497      0.4444762 0.7912095      0.3352095 0.1437359      3.136456  
1 1 1 -25 18 28 o 29.56035 0.8200288 8.814213       0.4818748 8.111946       0.7021722 9.439373       0.6625044 -2.250168      1.640058  
1 1 1 -25 18 29 o 57.81808 1.027504  33.59537       1.187756  33.24391       1.696828  33.93302       1.663159  -0.6014214     2.055008  
1 1 1 -25 18 30 o 58.49261 0.9202074 34.41003       1.049143  34.61753       1.343377  34.08558       1.679804  0.5062256      1.840415  
1 1 1 -25 18 31 o 54.15066 0.7725427 29.38221       0.8362716 28.25481       1.163592  30.58669       1.202711  -2.147873      1.545085  
1 1 1 -25 18 32 o 24.58846 0.7497349 6.071345       0.3647315 6.003788       0.5565671 6.122195       0.4828652 -0.2504826     1.499470  
1 1 1 -25 18 33 f 39.93482 0.7134091 16.00218       0.5687411 15.74348       0.8261327 16.23525       0.7841514 -0.6210022     1.426818  
1 1 1 -25 18 34 o 13.20842 1.283848  1.896941       0.3014354 1.464522       0.5068898 2.133529       0.3749360 -2.735248      2.567695  
1 1 1 -25 18 35 o 25.76624 0.8211435 6.778789       0.4088268 6.178488       0.6536397 7.164531       0.5239658 -1.933010      1.642287  
1 1 1 -25 18 36 o 13.25159 1.277881  1.785791       0.3177988 1.731078       0.5505606 1.813130       0.3891811 -0.3492479     2.555761  
1 1 1 -25 18 37 o 24.32753 0.9649671 5.964229       0.4622322 5.862891       0.7164283 6.036496       0.6049982 -0.3781796     1.929934  
1 1 1 -25 18 38 f 43.91353 0.9493865 19.28307       0.8276720 20.21272       1.260806  18.57906       1.097186  1.827511       1.898773  
1 1 1 -25 18 39 o 31.73103 0.9370148 10.04029       0.5880509 10.67166       0.9126393 9.592078       0.7689570 1.671049       1.874030  
1 1 1 -25 18 40 o 34.26649 0.9408098 11.86903       0.6391644 11.27293       0.9551910 12.35235       0.8600991 -1.594654      1.881620  
1 1 1 -25 18 41 o 35.80767 0.9443260 12.95033       0.6722500 12.30444       0.9914901 13.49989       0.9145718 -1.685726      1.888652  
1 1 1 -25 18 42 o 25.83946 1.002507  6.719086       0.5106675 6.740276       0.7924061 6.704034       0.6678491 0.4039001E-01  2.005014  
1 1 1 -25 18 43 f 22.83584 1.100052  5.207818       0.4916725 5.507719       0.7897410 5.018005       0.6282868 1.027491       2.200103  
1 1 1 -25 18 44 o 13.36033 1.710483  1.997628       0.4135439 1.436381       0.6899881 2.312262       0.5166150 -3.539805      3.420966  
1 1 1 -25 18 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 19 1  o 8.717686 2.277215  0.5773118      0.5277106 0.3638020      0.7037491 0.8515838      0.7976268 -1.823140      4.554429  
1 1 1 -25 19 2  o 18.21157 1.631526  3.373466       0.5901175 3.618307       0.8089865 3.095027       0.8627058 1.448942       3.263052  
1 1 1 -25 19 3  o 42.41616 1.134371  18.04488       0.9603965 17.52712       1.310250  18.64604       1.411844  -1.302982      2.268742  
1 1 1 -25 19 4  o 43.14964 1.137508  18.67689       0.9805478 19.94043       1.419464  17.52361       1.356112  2.790607       2.275016  
1 1 1 -25 19 5  o 16.38358 1.864911  2.839480       0.5747668 1.952647       0.8165392 3.710436       0.8091966 -5.593162      3.729822  
1 1 1 -25 19 6  o 37.27434 1.133977  13.95801       0.8452249 13.67380       1.182906  14.25447       1.208151  -0.7750130     2.267954  
1 1 1 -25 19 7  o 22.61820 1.370775  5.151751       0.6190493 4.759628       0.8660373 5.561430       0.8852134 -1.768900      2.741549  
1 1 1 -25 19 8  o 16.52230 1.694941  2.759943       0.5600622 2.724968       0.7902413 2.795240       0.7938665 -0.2118225     3.389881  
1 1 1 -25 19 9  o 33.70382 1.165026  11.42025       0.7851951 11.61922       1.108405  11.21982       1.112473  0.5931625      2.330053  
1 1 1 -25 19 10 f 26.66753 1.277260  7.135913       0.6787970 8.030647       0.9865752 6.331600       0.9353961 3.176765       2.554520  
1 1 1 -25 19 11 o 25.33529 1.312367  6.451729       0.6633648 7.105354       0.9570761 5.847392       0.9202845 2.476091       2.624734  
1 1 1 -25 19 12 o 36.62233 1.152501  13.34730       0.8389946 15.59422       1.252761  11.51987       1.129781  5.543453       2.305002  
1 1 1 -25 19 13 o 13.61275 2.015209  1.922231       0.5423462 1.410133       0.7515705 2.478631       0.7834063 -4.074065      4.030418  
1 1 1 -25 19 14 o 26.40172 1.257918  7.006066       0.6631133 6.458791       0.9230560 7.589720       0.9532400 -2.136614      2.515835  
1 1 1 -25 19 15 o 56.60448 1.204780  32.16492       1.361784  31.29595       1.864900  33.15757       1.993202  -1.623341      2.409561  
1 1 1 -25 19 16 o 61.87055 0.7840300 38.30141       0.9689147 37.08052       1.329836  39.68289       1.414593  -2.093990      1.568060  
1 1 1 -25 19 17 o 40.36695 0.6380076 16.17595       0.5126904 14.78917       0.6862487 17.92772       0.7712861 -3.880066      1.276015  
1 1 1 -25 19 18 o 62.89445 0.7989371 39.62418       1.004433  38.72261       1.392872  40.60098       1.449804  -1.486958      1.597874  
1 1 1 -25 19 19 o 12.37190 0.8728058 1.633610       0.2009074 0.9973933      0.2944530 2.187790       0.2748144 -4.813138      1.745612  
1 1 1 -25 19 20 o 61.66389 0.7954208 38.09791       0.9806017 37.28240       1.363944  38.97041       1.410803  -1.363377      1.590842  
1 1 1 -25 19 21 o 31.61776 0.6316869 10.01021       0.3985064 9.104818       0.5562853 10.96466       0.5711552 -2.939775      1.263374  
1 1 1 -25 19 22 o 13.32320 0.8404084 1.735699       0.2209180 2.072401       0.3488813 1.510327       0.2854336 2.101578       1.680817  
1 1 1 -25 19 23 o 45.27491 0.8352991 20.50426       0.7514235 21.01044       1.135224  20.10955       1.002463  0.9786682      1.670598  
1 1 1 -25 19 24 o 40.10192 0.8249230 15.99384       0.6587263 14.24783       0.8886264 18.12359       0.9814312 -4.821037      1.649846  
1 1 1 -25 19 25 o 29.71996 0.7904186 8.775427       0.4657183 9.449232       0.7168530 8.283334       0.6126133 1.948874       1.580837  
1 1 1 -25 19 26 o 42.89806 0.7812454 18.11130       0.6532832 17.02361       0.8249074 19.94108       1.069922  -3.369915      1.562491  
1 1 1 -25 19 27 o 45.99650 0.7170632 21.17158       0.6587266 21.87111       0.9626610 20.55563       0.9033275 1.422852       1.434126  
1 1 1 -25 19 28 o 8.920663 1.445226  0.8059780      0.2452337 0.9613079      0.4091591 0.7188957      0.3063585 1.281857       2.890452  
1 1 1 -25 19 29 f 65.67456 0.8465783 43.28558       1.111966  43.19300       1.574332  43.37774       1.570788  -0.1411819     1.693157  
1 1 1 -25 19 30 o 26.69026 0.7279983 7.203118       0.3846269 6.623084       0.5721645 7.681337       0.5195265 -1.989185      1.455997  
1 1 1 -25 19 31 f 46.19536 0.7803769 21.46217       0.7150851 20.93815       1.075474  21.87742       0.9573650 -1.032925      1.560754  
1 1 1 -25 19 32 o 54.83323 0.8290218 30.23959       0.9012619 29.64712       1.360299  30.70315       1.203254  -0.9865189     1.658044  
1 1 1 -25 19 33 o 7.110587 1.655599  0.2895365      0.2768981 0.9345159      0.5142732 0.2621866E-01  0.3285951 4.658076       3.311198  
1 1 1 -25 19 34 o 62.20557 1.093119  38.95167       1.359223  38.99940       1.955188  38.90703       1.890888  0.6039429E-01  2.186238  
1 1 1 -25 19 35 f 31.05630 0.8872568 9.575576       0.5446519 10.39928       0.8500963 9.002012       0.7093704 2.224586       1.774514  
1 1 1 -25 19 36 o 26.66379 0.9252989 7.126914       0.4860856 7.253921       0.7585022 7.038404       0.6331987 0.3798714      1.850598  
1 1 1 -25 19 37 o 44.08001 0.9434993 19.19808       0.8199521 21.52776       1.297532  17.64924       1.057970  4.348831       1.886999  
1 1 1 -25 19 38 o 10.59330 2.174182  1.110223       0.4003285 1.181658       0.9868194 1.096151       0.4379879 0.7904654      4.348364  
1 1 1 -25 19 39 o 19.68291 1.090337  3.714391       0.4132112 4.609496       0.7105598 3.257013       0.5079265 3.385643       2.180673  
1 1 1 -25 19 40 o 24.22857 0.9775917 5.792938       0.4654312 6.509070       0.7456034 5.335721       0.5957616 2.386887       1.955183  
1 1 1 -25 19 41 f 34.09074 0.9310387 11.45566       0.6242253 12.97468       0.9978740 10.47909       0.8001041 3.614029       1.862077  
1 1 1 -25 19 42 f 44.05072 0.9814603 19.47341       0.8575197 20.00436       1.306761  19.07185       1.136432  1.017227       1.962921  
1 1 1 -25 19 43 o 26.23835 1.316117  6.547834       0.5820231 7.768471       1.257855  6.215298       0.6565337 2.767464       2.632235  
1 1 1 -25 20 1  f 71.69145 1.351100  51.71213       1.935603  54.09383       2.807053  49.55312       2.672604  3.139336       2.702199  
1 1 1 -25 20 2  o 46.78943 1.178297  22.00156       1.101773  23.26623       1.581339  20.80846       1.535937  2.618477       2.356594  
1 1 1 -25 20 3  o 64.61470 1.283417  42.04469       1.657923  42.35538       2.318034  41.71930       2.372219  0.5024414      2.566834  
1 1 1 -25 20 4  o 14.71511 2.079699  2.281640       0.5907218 2.449111       0.8368369 2.115310       0.8339841 1.141706       4.159398  
1 1 1 -25 20 5  o 39.54515 1.163567  15.72537       0.9199939 16.24459       1.306904  15.21532       1.295309  1.299423       2.327133  
1 1 1 -25 20 6  f 38.06617 1.167918  14.50761       0.8871958 13.48574       1.208914  15.70035       1.306081  -2.892319      2.335836  
1 1 1 -25 20 7  o 29.66231 1.279001  8.774614       0.7539542 10.29397       1.123356  7.529195       1.017056  4.640644       2.558003  
1 1 1 -25 20 8  o 28.48863 1.267714  8.173100       0.7205325 8.927129       1.028233  7.445598       1.009986  2.596855       2.535429  
1 1 1 -25 20 9  o 32.76531 1.206119  10.75699       0.7873334 12.17743       1.150195  9.504560       1.080030  4.066545       2.412239  
1 1 1 -25 20 10 o 18.68513 1.654945  3.537586       0.6107615 2.848640       0.8468777 4.284297       0.8816667 -3.833445      3.309890  
1 1 1 -25 20 11 o 54.74294 1.203363  30.12816       1.317048  31.23787       1.886948  29.07397       1.839145  1.968067       2.406726  
1 1 1 -25 20 12 o 26.87581 1.303114  7.277676       0.7000031 7.431791       0.9797248 7.116953       1.000510  0.5896645      2.606229  
1 1 1 -25 20 13 o 25.34317 1.322343  6.460306       0.6695183 6.899756       0.9647878 6.052097       0.9298613 1.665642       2.644686  
1 1 1 -25 20 14 o 34.38096 1.208857  11.90657       0.8286640 13.07519       1.178548  10.76392       1.165378  3.358955       2.417715  
1 1 1 -25 20 15 o 20.31808 1.501704  4.157096       0.6082024 3.704633       0.8400226 4.655628       0.8817499 -2.331137      3.003409  
1 1 1 -25 20 16 o 29.56517 1.246689  8.795695       0.7371055 8.647336       1.035069  8.948348       1.049939  -0.5063534     2.493378  
1 1 1 -25 20 17 o 57.56480 0.7538421 33.15102       0.8668664 31.94326       1.190963  34.51184       1.264179  -2.222942      1.507684  
1 1 1 -25 20 18 f 11.54578 0.7760361 1.274487       0.1727978 1.884901       0.2761782 0.8818063      0.2215118 4.337856       1.552072  
1 1 1 -25 20 19 o 37.51764 0.7055650 14.13355       0.5195046 13.95600       0.8149144 14.25511       0.6742839 -0.4132881     1.411130  
1 1 1 -25 20 20 o 7.484844 1.267705  0.5824554      0.1835966 0.6019787      0.2962298 0.5702788      0.2339472 0.1977167      2.535410  
1 1 1 -25 20 21 o 35.33337 0.7607536 12.40891       0.5343466 13.47049       0.8117572 11.59721       0.7098204 2.638805       1.521507  
1 1 1 -25 20 22 o 29.66526 0.7427415 8.810212       0.4389092 8.954416       0.6528590 8.691283       0.5928884 0.4363461      1.485483  
1 1 1 -25 20 23 o 40.65668 0.7459223 16.60340       0.6000237 16.78749       0.7949882 16.35971       0.9146656 0.5408974      1.491845  
1 1 1 -25 20 24 o 26.87251 0.6626926 7.192290       0.3544910 7.680049       0.5334705 6.806616       0.4743696 1.618414       1.325385  
1 1 1 -25 20 25 o 5.842842 1.485658  0.2737379      0.2144525 0.3704002      0.3601024 0.2206155      0.2669539 1.178863       2.971316  
1 1 1 -25 20 26 o 4.342158 1.351725  -0.8155194E-01 0.2158397 -0.5371767E-01 0.3731468 -0.9554745E-01 0.2645965 0.9578364      2.703450  
1 1 1 -25 20 27 o 11.40064 1.135535  1.258205       0.2529996 1.552227       0.4155123 1.084974       0.3189375 2.029843       2.271069  
1 1 1 -25 20 28 o 61.57891 0.8755410 37.93055       1.064352  38.89123       1.652054  37.24885       1.391662  1.293217       1.751082  
1 1 1 -25 20 29 o 23.32926 0.7843553 5.252572       0.3543141 6.281495       0.5979257 4.695752       0.4398589 3.376175       1.568711  
1 1 1 -25 20 30 o 43.29594 0.8254635 19.12778       0.6983069 17.11394       1.076590  20.59039       0.9174904 -4.038925      1.650927  
1 1 1 -25 20 31 o 34.42668 0.8158329 11.86301       0.5453627 12.02954       0.8872763 11.76190       0.6913815 0.3578682      1.631666  
1 1 1 -25 20 32 o 8.927402 1.714762  0.7713388      0.3016816 1.083055       0.5267540 0.6191875      0.3680156 2.383992       3.429523  
1 1 1 -25 20 33 o 24.72253 0.9253964 6.098210       0.4478249 6.350992       0.7169349 5.936478       0.5734624 0.8116322      1.850793  
1 1 1 -25 20 34 o 21.79810 1.030746  5.029431       0.4256262 3.423316       0.6318565 6.363590       0.5758826 -6.756119      2.061491  
1 1 1 -25 20 35 o 7.557258 1.796206  0.5485813      0.3123327 0.4991437      0.5326942 0.5744805      0.3855602 0.7494783E-01  3.592413  
1 1 1 -25 20 36 o 30.77514 0.9217732 9.642894       0.5600343 8.365269       0.8218035 10.75068       0.7652350 -3.886917      1.843546  
1 1 1 -25 20 37 o 42.06120 0.9412317 17.82483       0.7896662 16.35208       1.117975  19.29118       1.115542  -3.494358      1.882463  
1 1 1 -25 20 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 20 39 o 19.40681 1.146692  3.824749       0.4302769 3.706139       0.6989613 3.897125       0.5459931 -0.5353107     2.293385  
1 1 1 -25 20 40 o 24.96645 1.010768  6.227305       0.4930333 6.511392       0.7942308 6.049196       0.6288738 0.8842144      2.021536  
1 1 1 -25 20 41 o 10.30486 1.870917  1.097672       0.3756365 1.248163       0.6309997 1.015066       0.4674998 1.039401       3.741834  
1 1 1 -25 20 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 21 1  f 27.38807 1.378107  7.632530       0.7472417 8.762989       1.048431  6.465427       1.065289  4.198479       2.756215  
1 1 1 -25 21 2  o 55.92846 1.243369  31.51957       1.390247  31.63024       1.941022  31.40298       1.992187  0.2141647      2.486738  
1 1 1 -25 21 3  o 37.06177 1.231046  13.79778       0.9104158 15.17970       1.322847  12.55421       1.254884  3.527817       2.462092  
1 1 1 -25 21 4  o 26.05629 1.363847  6.869205       0.7085512 7.340254       0.9900101 6.374539       1.014525  1.858713       2.727694  
1 1 1 -25 21 5  o 27.24950 1.382179  7.490882       0.7526827 7.478235       1.043633  7.504592       1.086573  -0.3859329E-01 2.764359  
1 1 1 -25 21 6  o 37.51840 1.214749  14.16050       0.9107621 13.91270       1.258509  14.43297       1.319692  -0.6812897     2.429497  
1 1 1 -25 21 7  o 18.21212 1.755356  3.358730       0.6381000 3.665221       0.9193696 3.073857       0.8863550 1.614271       3.510713  
1 1 1 -25 21 8  o 32.45701 1.254429  10.61323       0.8139718 10.84877       1.144255  10.37195       1.158130  0.7373123      2.508857  
1 1 1 -25 21 9  o 21.12641 1.559980  4.517731       0.6572328 4.935868       0.9332603 4.106322       0.9257208 1.961443       3.119960  
1 1 1 -25 21 10 o 34.99894 1.224091  12.28979       0.8548473 13.52784       1.246127  11.18926       1.174889  3.327225       2.448182  
1 1 1 -25 21 11 o 42.98016 1.191556  18.58966       1.024264  18.61304       1.449933  18.56637       1.447126  0.5376053E-01  2.383112  
1 1 1 -25 21 12 o 33.02837 1.248799  10.93894       0.8222654 12.25355       1.202594  9.784785       1.126819  3.722425       2.497598  
1 1 1 -25 21 13 o 41.91475 1.186268  17.66463       0.9940237 18.27736       1.429912  17.09162       1.382795  1.405579       2.372536  
1 1 1 -25 21 14 o 21.60823 1.523967  4.651906       0.6379464 6.486930       0.9650195 3.227475       0.8502286 7.514841       3.047934  
1 1 1 -25 21 15 o 58.70321 1.244746  34.65422       1.460211  35.99630       2.118090  33.43863       2.015806  2.157829       2.489492  
1 1 1 -25 21 16 o 17.23627 2.465525  0.000000       0.000000  ?              ?         3.012928       0.8499290 ?              ?         
1 1 1 -25 21 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 21 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 21 19 o 68.64110 1.573770  0.000000       0.000000  ?              ?         47.40143       2.160506  ?              ?         
1 1 1 -25 21 20 o 10.09031 2.307530  1.071972       0.4557582 1.071972       0.4557582 ?              ?         ?              ?         
1 1 1 -25 21 21 o 31.27637 0.6372991 9.785644       0.3975574 10.01243       0.5871083 9.593596       0.5402697 0.6643219      1.274598  
1 1 1 -25 21 22 o 46.64697 0.7111002 21.80961       0.6631557 21.97357       0.9527297 21.65551       0.9236345 0.3372803      1.422200  
1 1 1 -25 21 23 o 21.71222 0.6931106 4.716386       0.2994778 4.814219       0.4484463 4.637635       0.4023456 0.4010124      1.386221  
1 1 1 -25 21 24 o 30.20241 0.6593113 9.097315       0.3958803 9.531505       0.5987653 8.760115       0.5276688 1.268736       1.318623  
1 1 1 -25 21 25 o 37.74590 0.7194426 14.01776       0.5312950 15.53594       0.8617264 13.08674       0.6748163 3.220249       1.438885  
1 1 1 -25 21 26 o 56.30295 0.8365917 31.65870       0.9308403 32.80420       1.442475  30.84131       1.218500  1.708935       1.673183  
1 1 1 -25 21 27 f 42.13124 0.8023733 17.41393       0.6455646 19.12919       1.111859  16.54161       0.7929047 3.022808       1.604747  
1 1 1 -25 21 28 o 11.01859 1.374160  1.236783       0.2841742 1.288352       0.4749852 1.208034       0.3546472 0.1340609      2.748320  
1 1 1 -25 21 29 o 42.43967 0.8853233 18.10453       0.7503377 17.81018       1.086133  18.37326       1.037793  -0.6719017     1.770647  
1 1 1 -25 21 30 o 45.41117 0.9172798 20.71784       0.8322088 19.45501       1.166879  22.02509       1.187226  -2.826046      1.834560  
1 1 1 -25 21 31 f 20.69891 0.9504794 4.299592       0.3867414 4.349844       0.6071134 4.265275       0.5017077 0.1833210      1.900959  
1 1 1 -25 21 32 o 69.78226 1.185193  49.11191       1.652908  49.49291       2.387429  48.76115       2.290700  0.4987869      2.370386  
1 1 1 -25 21 33 o 63.13875 1.112405  40.14107       1.404045  38.52155       1.956228  41.86171       2.016376  -2.630264      2.224810  
1 1 1 -25 21 34 o 62.66644 1.108953  39.54187       1.387665  40.11351       2.026576  39.03725       1.904059  0.8286247      2.217906  
1 1 1 -25 21 35 o 34.47205 0.9024295 11.99744       0.6180253 10.40856       0.8738372 13.58765       0.8742025 -4.611046      1.804859  
1 1 1 -25 21 36 o 6.416310 1.764519  0.2787985      0.3150044 0.8406805E-01  0.5735818 0.3628948      0.3769354 -0.6891155E-01 3.529038  
1 1 1 -25 21 37 f 18.53433 1.278220  3.883732       0.4205399 2.237115       0.6662990 4.973999       0.5421745 -7.419180      2.556440  
1 1 1 -25 21 38 f 10.68585 1.762378  1.099282       0.3564499 1.650992       0.6255286 0.8339889      0.4337655 3.590065       3.524756  
1 1 1 -25 21 39 o 23.58074 1.053827  5.759518       0.4806043 4.858448       0.7457743 6.399525       0.6285220 -3.297323      2.107653  
1 1 1 -25 21 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 22 1  o 15.59510 2.128145  2.524349       0.6491558 2.093669       0.8930751 3.006804       0.9452334 -3.161789      4.256289  
1 1 1 -25 22 2  o 32.58819 1.309468  10.67805       0.8518550 10.18397       1.161857  11.25240       1.252673  -1.618151      2.618936  
1 1 1 -25 22 3  o 49.09398 1.241758  24.26517       1.218193  23.76921       1.681605  24.81287       1.767147  -1.044128      2.483516  
1 1 1 -25 22 4  o 42.34072 1.227098  18.03492       1.038228  17.41445       1.432354  18.72178       1.507045  -1.527637      2.454196  
1 1 1 -25 22 5  o 31.05832 1.330861  9.743191       0.8233021 10.87195       1.174627  8.653175       1.154289  3.567205       2.661721  
1 1 1 -25 22 6  o 36.79796 1.255351  13.66166       0.9218102 14.77918       1.308289  12.55990       1.299033  3.013447       2.510702  
1 1 1 -25 22 7  o 44.07411 1.227558  19.57066       1.081904  20.03678       1.535451  19.11106       1.524694  1.047855       2.455115  
1 1 1 -25 22 8  o 16.74168 2.092405  3.033301       0.6581036 4.579158       0.9441559 1.572539       0.9178016 9.054226       4.184810  
1 1 1 -25 22 9  o 54.99053 1.249457  30.47485       1.374117  30.81828       1.946039  30.13334       1.940560  0.6215782      2.498914  
1 1 1 -25 22 10 o 55.06320 1.252308  30.55861       1.378653  30.64018       1.926235  30.47293       1.974064  0.1624184      2.504616  
1 1 1 -25 22 11 o 54.79927 1.246196  30.19475       1.363810  29.07490       1.867978  31.47311       1.995797  -2.160110      2.492393  
1 1 1 -25 22 12 o 63.66135 1.310875  40.86288       1.668341  40.48513       2.321525  41.26632       2.399172  -0.5956192     2.621751  
1 1 1 -25 22 13 o 24.57912 2.197854  0.000000       0.000000  ?              ?         6.114067       1.080427  ?              ?         
1 1 1 -25 22 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 22 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 22 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 22 17 o 46.89558 0.7131348 22.00239       0.6665103 21.53308       0.9013311 22.56868       0.9900838 -1.092987      1.426270  
1 1 1 -25 22 18 o 5.208504 1.094601  0.2688445      0.1401816 0.1866386E-01  0.2196525 0.4407642      0.1820841 -2.571859      2.189203  
1 1 1 -25 22 19 o 35.81047 0.6570117 12.81872       0.4671268 13.11837       0.7081489 12.58789       0.6215284 0.7305679      1.314023  
1 1 1 -25 22 20 o 24.64262 1.884222  6.377027       0.8344361 5.718815       1.524864  6.658378       0.9969500 -2.077642      3.768443  
1 1 1 -25 22 21 o 28.19918 0.6576188 7.949640       0.3674312 8.113450       0.5617291 7.827139       0.4857620 0.4985847      1.315238  
1 1 1 -25 22 22 o 10.57356 1.201841  1.345380       0.2171194 0.6298879      0.3499889 1.793002       0.2768263 -5.595915      2.403683  
1 1 1 -25 22 23 o 28.30704 0.7186604 8.034674       0.4008012 8.037766       0.6228787 8.032489       0.5235981 -0.4184723E-02 1.437321  
1 1 1 -25 22 24 o 41.77889 0.7944250 17.62838       0.6594009 16.10863       0.9610054 18.98048       0.9064515 -3.445370      1.588850  
1 1 1 -25 22 25 o 21.68391 0.8100284 4.672611       0.3478220 5.039707       0.5382435 4.409394       0.4557691 1.440151       1.620057  
1 1 1 -25 22 26 o 20.40179 1.033404  4.259195       0.4132319 5.104660       0.5755786 3.359850       0.5936361 4.279774       2.066807  
1 1 1 -25 22 27 o 3.937663 1.888376  -0.6032184     0.4263992 -0.6032184     0.4263992 ?              ?         ?              ?         
1 1 1 -25 22 28 o 28.60486 1.255311  8.221306       0.7181599 8.221306       0.7181599 ?              ?         ?              ?         
1 1 1 -25 22 29 o 28.67538 1.284214  8.265557       0.7365068 8.265557       0.7365068 ?              ?         ?              ?         
1 1 1 -25 22 30 f 4.405042 2.080003  -0.5641083     0.4867968 -0.5641083     0.4867968 ?              ?         ?              ?         
1 1 1 -25 22 31 o 13.82979 1.953945  1.935438       0.5404532 1.935438       0.5404532 ?              ?         ?              ?         
1 1 1 -25 22 32 o 23.20366 1.443810  5.420020       0.6700336 5.420020       0.6700336 ?              ?         ?              ?         
1 1 1 -25 22 33 o 56.83484 1.258278  32.87236       1.383907  33.60508       1.760036  31.68566       2.239871  1.828022       2.516556  
1 1 1 -25 22 34 o 36.34821 1.058408  12.85476       0.7442272 11.63782       0.9237234 15.10611       1.256401  -4.684624      2.116816  
1 1 1 -25 22 35 o 23.69130 1.007245  5.679979       0.4664717 5.523864       0.7370681 5.784284       0.6024786 -0.5835724     2.014491  
1 1 1 -25 22 36 o 20.11461 1.181215  4.364946       0.4425842 2.816310       0.6671414 5.582250       0.5914834 -6.895948      2.362429  
1 1 1 -25 22 37 o 30.11752 2.037237  0.000000       0.000000  ?              ?         9.202653       1.227131  ?              ?         
1 1 1 -25 23 1  o 28.50483 1.746238  8.356706       0.9502591 7.941353       1.579504  8.592319       1.189633  -1.275061      3.492476  
1 1 1 -25 23 2  o 34.31789 1.576567  11.28092       1.031640  14.15566       1.819722  9.919374       1.252337  5.994658       3.153134  
1 1 1 -25 23 3  o 39.30230 1.589802  16.07536       1.187047  14.22561       1.952080  17.16068       1.495274  -3.872437      3.179605  
1 1 1 -25 23 4  o 50.38475 1.528864  25.85420       1.470091  25.21568       2.464119  26.20706       1.831798  -1.167805      3.057728  
1 1 1 -25 23 5  o 27.14457 1.736675  7.469779       0.9028864 7.552427       1.515139  7.424270       1.124320  0.1079140      3.473350  
1 1 1 -25 23 6  o 88.27220 1.923007  79.47489       3.212696  79.39741       5.509947  79.51479       3.954474  -0.6231537     3.846013  
1 1 1 -25 23 7  o 23.93620 1.920339  5.759094       0.8720694 6.102343       1.509668  5.587197       1.068346  0.9187202      3.840677  
1 1 1 -25 23 8  o 61.82845 1.602872  38.83216       1.887827  38.45010       3.189301  39.03823       2.342238  -0.7250099     3.205745  
1 1 1 -25 23 9  f 9.869282 2.698298  0.6668433      0.7118546 0.8221853      1.283503  0.5978317      0.8554870 1.766589       5.396596  
1 1 1 -25 23 10 o 42.46935 1.604785  18.72804       1.284701  16.85243       2.158621  19.75675       1.598652  -3.581402      3.209570  
1 1 1 -25 23 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 23 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 23 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 23 14 o 22.71679 2.219417  5.241908       0.9941058 5.606903       1.561736  4.993279       1.288963  1.237284       4.438835  
1 1 1 -25 23 15 o 39.42589 1.572419  15.59286       1.160532  16.19573       2.054745  15.31045       1.406323  0.9327507      3.144839  
1 1 1 -25 23 16 o 51.12455 1.812598  0.000000       0.000000  ?              ?         26.36884       1.853365  ?              ?         
1 1 1 -25 23 17 f 29.13527 2.484625  0.000000       0.000000  ?              ?         8.631686       1.447804  ?              ?         
1 1 1 -25 23 18 o 25.43716 0.6153982 6.390174       0.3096584 7.106458       0.4829844 5.890244       0.4035017 2.381054       1.230796  
1 1 1 -25 23 19 f 77.34535 1.232443  60.30648       1.905989  59.28190       2.659000  61.38928       2.733495  -1.344170      2.464886  
1 1 1 -25 23 20 o 22.48205 0.9148445 0.000000       0.000000  ?              ?         5.066325       0.4113515 ?              ?         
1 1 1 -25 23 21 o 15.42383 0.8114913 2.450999       0.2434303 2.026322       0.3689221 2.778486       0.3239672 -2.445448      1.622983  
1 1 1 -25 23 22 o 8.347399 1.247080  0.7530113      0.1995120 0.5718548      0.3219061 0.8660029      0.2542290 -1.867550      2.494159  
1 1 1 -25 23 23 o 26.36090 0.7457769 6.960466       0.3904176 7.063507       0.5900663 6.880232       0.5206871 0.3369522      1.491554  
1 1 1 -25 23 24 o 25.60937 0.7714466 6.631871       0.3916724 5.710442       0.5598387 7.515268       0.5481627 -3.525682      1.542893  
1 1 1 -25 23 25 o 16.74023 0.8839096 2.844906       0.2908748 2.642391       0.4456199 2.995249       0.3839524 -1.065960      1.767819  
1 1 1 -25 23 26 o 26.00306 0.7884350 6.840712       0.4067803 6.181525       0.5940624 7.422635       0.5581628 -2.392736      1.576870  
1 1 1 -25 23 27 o 13.50326 1.292191  2.079809       0.3022424 1.192131       0.4727077 2.693650       0.3930911 -5.744723      2.584383  
1 1 1 -25 23 28 o 7.636555 1.583050  0.6322552      0.2710708 0.2622895      0.4634093 0.8246887      0.3342138 -2.442639      3.166100  
1 1 1 -25 23 29 o 30.46430 0.8657931 9.370876       0.5234386 8.911711       0.7791803 9.748518       0.7066334 -1.387671      1.731586  
1 1 1 -25 23 30 o 26.25914 0.8776658 6.919060       0.4529144 6.992571       0.7114719 6.868973       0.5872821 0.2099094      1.755332  
1 1 1 -25 23 31 o 6.522614 1.691800  0.3587189      0.2846861 0.1541588      0.5110639 0.4507518      0.3427964 -0.4966493     3.383600  
1 1 1 -25 23 32 f 21.81679 0.9522145 4.840357       0.4044846 4.559647       0.6403390 5.026725       0.5217572 -1.098644      1.904429  
1 1 1 -25 23 33 o 28.15327 0.9058343 8.106987       0.5010808 6.959085       0.7458588 9.051270       0.6764807 -3.731026      1.811669  
1 1 1 -25 23 34 o 22.44632 0.9904093 5.072076       0.4301873 5.074555       0.7034826 5.070595       0.5436904 -0.2959442E-01 1.980819  
1 1 1 -25 23 35 o 20.94201 1.279444  0.000000       0.000000  ?              ?         4.411491       0.5358824 ?              ?         
1 1 1 -25 24 1  o 46.06636 3.000722  0.000000       0.000000  ?              ?         21.82544       2.764647  ?              ?         
1 1 1 -25 24 2  o 29.45029 3.507943  0.000000       0.000000  ?              ?         9.008964       2.066199  ?              ?         
1 1 1 -25 24 3  o 12.99650 4.900995  0.000000       0.000000  ?              ?         1.443786       1.736507  ?              ?         
1 1 1 -25 24 4  o 43.76484 2.952995  0.000000       0.000000  ?              ?         19.65880       2.584747  ?              ?         
1 1 1 -25 24 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 24 18 o 23.61656 0.6129059 5.514421       0.2874107 6.268931       0.4395084 4.950702       0.3798969 2.782911       1.225812  
1 1 1 -25 24 19 o 4.999909 1.148996  0.2448233      0.1377947 0.1021010      0.2233942 0.3324732      0.1750660 -1.298645      2.297993  
1 1 1 -25 24 20 f 22.37678 0.6822134 5.039462       0.3022469 4.166433       0.4222439 5.956841       0.4328361 -3.998993      1.364427  
1 1 1 -25 24 21 o 15.91191 0.7725117 2.524822       0.2419648 2.632782       0.3807241 2.451669       0.3133979 0.5575638      1.545023  
1 1 1 -25 24 22 o 38.07412 0.7785361 14.42821       0.5888422 15.57745       0.8976575 13.56017       0.7801495 2.628960       1.557072  
1 1 1 -25 24 23 o 34.55638 0.7693201 11.89120       0.5281033 12.76936       0.8047027 11.22686       0.6999148 2.214043       1.538640  
1 1 1 -25 24 24 o 48.11069 0.8941017 23.25366       0.8593554 23.46731       1.247627  23.06079       1.185385  0.4100189      1.788203  
1 1 1 -25 24 25 o 11.34696 1.289745  1.512525       0.2543316 0.7834342      0.4049434 1.987484       0.3268375 -5.440468      2.579490  
1 1 1 -25 24 26 o 39.73870 0.8309496 15.87860       0.6596943 15.45088       0.9471112 16.28166       0.9194028 -1.050682      1.661899  
1 1 1 -25 24 27 o 48.26023 0.9268337 23.33336       0.8926622 21.46456       1.221657  25.47417       1.307545  -4.135025      1.853667  
1 1 1 -25 24 28 o 22.22209 0.8933023 4.971733       0.3868056 4.940379       0.6202918 4.991682       0.4947916 -0.1432076     1.786605  
1 1 1 -25 24 29 f 31.60313 0.8458135 10.07639       0.5312771 9.655047       0.7870067 10.42915       0.7201195 -1.238932      1.691627  
1 1 1 -25 24 30 o 39.80155 0.8767940 15.90368       0.6942862 16.14238       1.039861  15.71168       0.9326091 0.5179825      1.753588  
1 1 1 -25 24 31 f 23.73466 0.9100841 5.662390       0.4233908 5.682312       0.6692834 5.649098       0.5466803 0.4275322E-01  1.820168  
1 1 1 -25 24 32 o 35.55153 1.242986  13.41637       0.7573190 11.51583       1.472926  14.09934       0.8829704 -3.808743      2.485971  
1 1 1 -25 25 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 25 18 o 12.16454 0.6415291 1.432921       0.1532523 1.868233       0.2424653 1.143320       0.1977651 2.973143       1.283058  
1 1 1 -25 25 19 o 25.89183 0.6528059 6.731476       0.3371371 6.138393       0.4751627 7.332722       0.4784217 -2.305895      1.305612  
1 1 1 -25 25 20 f 16.52888 0.7467820 2.825782       0.2384851 2.057589       0.3456638 3.523630       0.3294573 -4.437500      1.493564  
1 1 1 -25 25 21 o 31.65542 0.7227489 9.938195       0.4540444 10.99086       0.6969424 9.161959       0.5984779 2.871992       1.445498  
1 1 1 -25 25 22 o 9.261135 1.179307  0.7891703      0.2049621 1.362282       0.3533502 0.4985605      0.2516175 4.729858       2.358613  
1 1 1 -25 25 23 o 36.24059 0.7797764 13.05454       0.5603669 14.19323       0.8626336 12.22325       0.7370570 2.693691       1.559553  
1 1 1 -25 25 24 o 56.57858 0.9880310 32.21968       1.117024  32.56618       1.617995  31.90415       1.544022  0.5666199      1.976062  
1 1 1 -25 25 25 o 35.62101 0.7964811 12.73084       0.5651454 12.90722       0.8402742 12.58515       0.7636779 0.4367828      1.592962  
1 1 1 -25 25 26 f 17.95130 0.9547206 3.451358       0.3211698 2.317624       0.4876098 4.320104       0.4268382 -5.590968      1.909441  
1 1 1 -25 25 27 o 25.83452 0.8120806 6.612977       0.4131134 7.211689       0.6544433 6.216375       0.5326480 1.902145       1.624161  
1 1 1 -25 25 28 o 65.53360 1.122935  43.26919       1.470771  41.42317       2.037207  45.27883       2.125574  -2.916924      2.245870  
1 1 1 -25 25 29 o 36.89442 1.830387  0.000000       0.000000  ?              ?         13.77868       1.350621  ?              ?         
1 1 1 -25 26 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 26 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -25 27 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  1  o 17.43472 0.9181020 3.090917       0.3143317 2.647898       0.4359568 3.570592       0.4536344 -0.000000      0.000000  
1 1 1 -24 0  2  o 43.20724 0.8668926 18.71778       0.7477242 18.40547       1.050257  19.03878       1.064776  -0.000000      0.000000  
1 1 1 -24 0  3  o 58.01396 1.015720  33.73352       1.176823  33.85113       1.676075  33.61917       1.652729  -0.000000      0.000000  
1 1 1 -24 0  4  o 60.60935 1.051134  36.82020       1.272248  36.84934       1.816591  36.79214       1.782359  -0.000000      0.000000  
1 1 1 -24 0  5  o 41.06985 0.8530511 16.90198       0.6989207 17.31796       1.010420  16.52034       0.9678031 -0.000000      0.000000  
1 1 1 -24 0  6  o 8.236975 1.778361  0.8518595      0.2626853 0.6423144      0.3642672 1.078897       0.3791668 -0.000000      0.000000  
1 1 1 -24 0  7  o 68.43450 1.141495  46.92280       1.559912  47.56459       2.240380  46.31890       2.173249  -0.000000      0.000000  
1 1 1 -24 0  8  o 104.9478 1.625729  110.1671       3.401873  114.4893       5.004556  106.4544       4.638249  -0.000000      0.000000  
1 1 1 -24 0  9  o 16.31225 0.9593580 2.711801       0.3083408 2.526004       0.4266456 2.914952       0.4461259 -0.000000      0.000000  
1 1 1 -24 0  10 o 7.709277 1.788888  0.7592327      0.2561279 0.5308301      0.3490661 1.025627       0.3769815 -0.000000      0.000000  
1 1 1 -24 0  11 o 55.59581 0.9917421 30.94310       1.100268  31.91349       1.596148  30.06451       1.518763  -0.000000      0.000000  
1 1 1 -24 0  12 o 48.23093 0.9297242 23.32533       0.8952585 23.17048       1.272815  23.47694       1.259464  -0.000000      0.000000  
1 1 1 -24 0  13 o 54.38535 0.9842759 29.64444       1.068939  29.32836       1.498585  29.97183       1.525182  -0.000000      0.000000  
1 1 1 -24 0  14 o 36.83765 0.8380167 13.60518       0.6156351 13.30205       0.8528134 13.93505       0.8896325 -0.000000      0.000000  
1 1 1 -24 0  15 f 49.02146 0.9347127 24.02003       0.9134304 25.41063       1.339494  22.81129       1.248837  -0.000000      0.000000  
1 1 1 -24 0  16 o 60.74205 1.065616  36.95092       1.292165  35.88757       1.793983  38.09735       1.862752  -0.000000      0.000000  
1 1 1 -24 0  17 o 78.28677 1.275891  61.40347       1.994663  62.57464       2.867049  60.30481       2.776872  -0.000000      0.000000  
1 1 1 -24 0  18 o 54.49631 1.009946  29.77181       1.099012  30.27858       1.562223  29.27526       1.546373  -0.000000      0.000000  
1 1 1 -24 0  19 o 157.1443 2.367294  247.9849       7.432127  246.4290       10.43928  249.5842       10.58343  -0.000000      0.000000  
1 1 1 -24 0  20 f 72.35550 1.205508  52.45924       1.741749  51.64511       2.425027  53.32674       2.503246  -0.000000      0.000000  
1 1 1 -24 0  21 o 48.07603 0.9420182 23.14012       0.9031032 22.45697       1.240250  23.91116       1.317619  -0.000000      0.000000  
1 1 1 -24 0  22 o 58.14798 1.056889  33.88267       1.226963  33.00475       1.711179  34.81165       1.760237  -0.000000      0.000000  
1 1 1 -24 0  23 o 20.27128 1.006657  4.150338       0.4026698 3.730120       0.5489081 4.639968       0.5925103 -0.000000      0.000000  
1 1 1 -24 0  24 o 6.892699 2.132261  0.6914375      0.3115761 0.7839194      0.4132373 0.5695933      0.4743217 -0.000000      0.000000  
1 1 1 -24 0  25 o 14.73320 1.213699  2.277685       0.3460626 2.461180       0.4743170 2.068828       0.5060341 -0.000000      0.000000  
1 1 1 -24 0  26 o 89.85637 1.442031  80.94633       2.587774  79.58105       3.606367  82.39540       3.715398  -0.000000      0.000000  
1 1 1 -24 0  27 o 30.53179 0.8854341 9.377691       0.5384423 9.687290       0.7602779 9.066141       0.7626725 -0.000000      0.000000  
1 1 1 -24 0  28 o 45.10664 0.9417252 20.41057       0.8477499 20.31051       1.185544  20.51527       1.212717  -0.000000      0.000000  
1 1 1 -24 0  29 f 55.74547 1.035204  31.15821       1.152256  31.64662       1.645104  30.68786       1.614402  -0.000000      0.000000  
1 1 1 -24 0  30 o 31.21768 0.9071817 9.791270       0.5639790 9.533172       0.7808828 10.07270       0.8154109 -0.000000      0.000000  
1 1 1 -24 0  31 o 45.30087 0.9554078 20.59144       0.8638585 20.92966       1.225781  20.25770       1.217621  -0.000000      0.000000  
1 1 1 -24 0  32 o 35.03309 0.9193050 12.33501       0.6419325 12.39070       0.8964835 12.27642       0.9196178 -0.000000      0.000000  
1 1 1 -24 0  33 f 13.16955 1.503898  1.874134       0.3651620 2.052374       0.5108153 1.687856       0.5222073 -0.000000      0.000000  
1 1 1 -24 0  34 o 66.73410 1.165769  44.67472       1.553801  44.89747       2.204611  44.45487       2.190273  -0.000000      0.000000  
1 1 1 -24 0  35 o 37.15356 0.9306561 13.83317       0.6887582 14.68474       1.003884  13.07581       0.9467291 -0.000000      0.000000  
1 1 1 -24 0  36 o 40.59836 0.9557329 16.54171       0.7737555 16.94970       1.115891  16.16390       1.073832  -0.000000      0.000000  
1 1 1 -24 0  37 o 33.71495 1.316807  11.85033       0.7993353 10.63050       1.438307  12.39544       0.9614893 -0.000000      0.000000  
1 1 1 -24 0  38 o 97.33362 1.562265  95.16773       3.037123  94.00623       4.244032  96.38692       4.348142  -0.000000      0.000000  
1 1 1 -24 0  39 f 4.254520 1.939438  0.1930110E-01  0.3707249 -0.9415547E-01 0.5141909 0.1421248      0.5349961 -0.000000      0.000000  
1 1 1 -24 0  40 o 10.57842 2.151428  1.363527       0.3934580 1.283173       0.5349341 1.458235       0.5807530 -0.000000      0.000000  
1 1 1 -24 0  41 o 20.52652 1.177732  4.313611       0.4761950 4.492371       0.6621497 4.122115       0.6853313 -0.000000      0.000000  
1 1 1 -24 0  42 o 28.60758 1.020924  8.264195       0.5806909 8.466937       0.8165743 8.056773       0.8259479 -0.000000      0.000000  
1 1 1 -24 0  43 o 11.51635 2.490235  1.756225       0.4868297 1.901707       0.5819389 1.417024       0.8885899 -0.000000      0.000000  
1 1 1 -24 0  44 o 51.55641 1.497341  26.70432       1.541077  26.70432       1.541077  26.70432       1.541077  -0.000000      0.000000  
1 1 1 -24 0  45 o 23.02409 1.688496  5.400569       0.7691695 5.400569       0.7691695 5.400569       0.7691695 -0.000000      0.000000  
1 1 1 -24 0  46 o 44.04546 2.349554  19.67403       2.057318  19.67403       2.057318  19.67403       2.057318  -0.000000      0.000000  
1 1 1 -24 0  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 0  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 1  1  o 78.25391 0.8930092 61.25428       1.397050  62.44003       2.011150  60.14852       1.942112  1.461815       1.786018  
1 1 1 -24 1  2  o 78.23810 0.8930907 61.23978       1.397079  60.39147       1.948068  62.13812       2.004686  -1.114418      1.786181  
1 1 1 -24 1  3  o 116.9094 1.264822  136.7031       2.954162  140.7912       4.300702  133.0509       4.064897  3.299950       2.529644  
1 1 1 -24 1  4  o 80.00851 0.9099800 63.97212       1.454531  62.19067       2.001208  65.96714       2.117773  -2.356407      1.819960  
1 1 1 -24 1  5  o 94.58640 1.047709  89.54971       1.981806  90.30195       2.825428  88.82119       2.780506  0.7811584      2.095417  
1 1 1 -24 1  6  o 68.75077 0.8112376 47.21352       1.114092  48.90530       1.625346  45.71423       1.530091  2.318146       1.622475  
1 1 1 -24 1  7  o 15.28019 0.7029523 2.352173       0.2107880 2.939895       0.3030425 1.801294       0.2933904 3.725518       1.405905  
1 1 1 -24 1  8  o 23.76896 0.5863597 5.553458       0.2748334 7.063523       0.4172940 4.396670       0.3652341 5.608940       1.172719  
1 1 1 -24 1  9  o 81.17734 0.9226178 65.89428       1.497023  67.51270       2.162957  64.40617       2.074060  1.910698       1.845236  
1 1 1 -24 1  10 o 59.64119 0.7326796 35.42352       0.8712738 37.64936       1.295619  33.58593       1.177209  3.403683       1.465359  
1 1 1 -24 1  11 o 56.03852 0.7061918 31.41712       0.7914647 31.29935       1.115275  31.53661       1.123369  -0.2115021     1.412384  
1 1 1 -24 1  12 o 28.63711 0.5691712 8.197742       0.3258734 8.427711       0.4683886 7.981997       0.4536728 0.7779293      1.138342  
1 1 1 -24 1  13 o 58.61726 0.7278032 34.36869       0.8530874 34.80433       1.220387  33.95240       1.192975  0.7260246      1.455606  
1 1 1 -24 1  14 o 79.18868 0.9057618 62.75432       1.434468  63.09546       2.039321  62.42024       2.018133  0.4256897      1.811524  
1 1 1 -24 1  15 o 24.53644 0.5941535 5.991668       0.2906754 5.398254       0.3965618 6.680681       0.4273126 -2.612692      1.188307  
1 1 1 -24 1  16 o 27.75934 0.5884143 7.702847       0.3265292 8.034666       0.4682994 7.388877       0.4555294 1.162933       1.176829  
1 1 1 -24 1  17 o 22.82246 0.6231541 5.209054       0.2840569 5.585552       0.4061998 4.848729       0.3973797 1.614061       1.246308  
1 1 1 -24 1  18 o 66.78000 0.8005818 44.60224       1.068860  43.84789       1.487246  45.40810       1.537184  -1.166740      1.601164  
1 1 1 -24 1  19 o 126.3845 1.361865  159.8634       3.439229  164.0748       4.993796  156.0636       4.743462  3.156586       2.723730  
1 1 1 -24 1  20 o 90.75250 1.017912  82.41209       1.846797  81.01336       2.567580  83.91142       2.658314  -1.593018      2.035824  
1 1 1 -24 1  21 o 8.533278 1.305746  0.7596486      0.2168296 0.8495848      0.3060141 0.6689686      0.3072765 1.047362       2.611491  
1 1 1 -24 1  22 o 98.38319 1.091716  96.93531       2.148121  97.15852       3.043234  96.71363       3.032596  0.2256012      2.183431  
1 1 1 -24 1  23 o 92.63029 1.038045  85.69162       1.919163  82.53796       2.615092  89.37263       2.825292  -3.679405      2.076090  
1 1 1 -24 1  24 o 24.81852 0.6479591 6.154572       0.3208252 6.785998       0.4626885 5.569858       0.4452450 2.449547       1.295918  
1 1 1 -24 1  25 o 27.80112 0.6245656 7.719546       0.3467649 7.154640       0.4804286 8.333911       0.5010184 -2.120300      1.249131  
1 1 1 -24 1  26 o 79.75452 0.9228172 63.36262       1.466568  67.30128       2.190874  60.16480       1.974104  4.464218       1.845634  
1 1 1 -24 1  27 o 67.50816 0.8202084 45.58861       1.106965  44.62305       1.538890  46.62392       1.593509  -1.479645      1.640417  
1 1 1 -24 1  28 o 184.2431 1.953401  341.2619       7.195445  346.5441       10.34265  336.3072       10.01695  2.744202       3.906801  
1 1 1 -24 1  29 o 49.27771 0.6924911 24.17781       0.6805581 22.68201       0.9211482 25.97562       1.009868  -3.338528      1.384982  
1 1 1 -24 1  30 o 99.21915 1.107116  98.51035       2.194735  101.3477       3.191290  95.96406       3.023176  2.702477       2.214232  
1 1 1 -24 1  31 o 35.21522 0.6419170 12.32297       0.4505192 13.63980       0.6703141 11.23805       0.6084325 3.407703       1.283834  
1 1 1 -24 1  32 o 14.54266 0.9185045 2.116969       0.2664698 2.329733       0.3827398 1.916825       0.3712148 1.418939       1.837009  
1 1 1 -24 1  33 o 46.98886 0.6862074 22.00607       0.6434053 23.54897       0.9497609 20.69743       0.8746926 3.030651       1.372415  
1 1 1 -24 1  34 o 55.72115 0.7441369 31.05075       0.8288420 30.05663       1.149826  32.12603       1.195848  -1.854511      1.488274  
1 1 1 -24 1  35 o 81.40605 1.171537  65.55563       1.768559  68.89000       3.199398  64.08845       2.122285  2.853874       2.343074  
1 1 1 -24 1  36 o 35.11539 0.8013353 12.46122       0.5403414 11.94034       0.8901182 12.76517       0.6799587 -1.188183      1.602671  
1 1 1 -24 1  37 o 106.2253 1.676830  113.3912       3.556780  117.5267       5.209983  109.7814       4.867551  3.595619       3.353660  
1 1 1 -24 1  38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 1  39 o 66.43198 1.175262  44.24551       1.559888  45.67462       2.269551  42.96595       2.147533  2.023888       2.350525  
1 1 1 -24 1  40 o 40.91033 0.9672348 16.56637       0.7862531 14.70035       1.044669  19.00447       1.194116  -5.245140      1.934470  
1 1 1 -24 1  41 o 33.05336 0.9498611 10.95965       0.6277369 11.14352       0.8822457 10.77111       0.8933669 0.5645256      1.899722  
1 1 1 -24 1  42 o 56.53630 1.088646  31.77579       1.223969  29.20547       1.628328  35.11441       1.855801  -5.196148      2.177292  
1 1 1 -24 1  43 o 22.24422 0.9740865 4.961197       0.4150019 4.951721       0.5169935 4.978367       0.6958987 -0.3784943E-01 1.948173  
1 1 1 -24 1  44 o 38.41833 0.8523867 14.70427       0.6183795 14.51232       0.7561641 15.09184       1.074463  -0.7181015     1.704773  
1 1 1 -24 1  45 o 6.818056 1.582428  0.3433441      0.3172095 0.8212960      0.3966851 -0.5042902     0.5282726 4.060209       3.164855  
1 1 1 -24 1  46 o 47.91870 0.7491086 22.96220       0.7169500 22.02691       0.9830391 24.02501       1.047908  -2.077808      1.498217  
1 1 1 -24 1  47 o 19.12707 0.9086977 3.670275       0.3451876 3.114727       0.4784867 4.273180       0.4984639 -3.025610      1.817395  
1 1 1 -24 1  48 f 32.72889 0.7425998 10.67752       0.4846342 11.81653       0.7158882 9.713912       0.6584602 3.205109       1.485200  
1 1 1 -24 1  49 o 15.57047 1.131335  2.444728       0.3476861 2.979165       0.5024877 1.953834       0.4815831 3.288440       2.262669  
1 1 1 -24 1  50 o 12.16094 1.428327  1.592017       0.3205578 2.349794       0.4567907 0.8567303      0.4499609 6.250669       2.856654  
1 1 1 -24 1  51 f 39.78072 0.7526287 15.78388       0.5971216 14.52750       0.8101965 17.27777       0.8834682 -3.446392      1.505257  
1 1 1 -24 1  52 o 24.93108 0.8829302 6.241056       0.4401583 6.331325       0.6302785 6.155122       0.6149599 0.3506813      1.765860  
1 1 1 -24 1  53 o 24.02116 0.9128247 5.796284       0.4380702 5.431149       0.6119098 6.180178       0.6274315 -1.556032      1.825649  
1 1 1 -24 1  54 o 9.037691 1.780284  0.8443170      0.3498751 1.193154       0.4945557 0.4947948      0.4950408 3.172462       3.560567  
1 1 1 -24 1  55 o 40.08597 0.9629514 16.36177       0.7320865 15.53331       1.235226  16.81035       0.9089249 -1.664158      1.925903  
1 1 1 -24 1  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 1  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 2  1  o 101.8615 1.118143  103.8242       2.276703  101.6934       3.157860  106.1305       3.285414  -2.172478      2.236286  
1 1 1 -24 2  2  o 111.3366 1.209183  123.6834       2.684434  129.8884       3.986578  118.5359       3.631011  5.082443       2.418365  
1 1 1 -24 2  3  o 83.61758 0.9438283 69.97946       1.578382  70.28149       2.240785  69.68204       2.223651  0.3578720      1.887657  
1 1 1 -24 2  4  o 104.7169 1.144147  109.6591       2.393861  112.7570       3.479957  106.8763       3.298210  2.800705       2.288293  
1 1 1 -24 2  5  f 66.34336 0.7884656 43.88107       1.043524  41.92426       1.415641  46.20963       1.544264  -3.226227      1.576931  
1 1 1 -24 2  6  f 70.83871 0.8266031 50.19926       1.170859  49.53456       1.635403  50.89826       1.677071  -0.9613724     1.653206  
1 1 1 -24 2  7  o 116.6814 1.261818  136.1105       2.940457  140.6974       4.298147  132.0750       4.031515  3.683517       2.523636  
1 1 1 -24 2  8  o 99.52349 1.095257  99.15906       2.180028  99.59433       3.095394  98.73065       3.070803  0.4329987      2.190513  
1 1 1 -24 2  9  o 96.31329 1.064910  92.21304       2.040187  98.89445       3.085059  87.01992       2.719848  6.151505       2.129820  
1 1 1 -24 2  10 o 72.30765 0.8415298 52.31727       1.216952  52.55329       1.728295  52.08517       1.713854  0.3232956      1.683060  
1 1 1 -24 2  11 o 35.85658 0.5847511 12.83930       0.4189756 12.31741       0.5781447 13.41654       0.6080260 -1.532082      1.169502  
1 1 1 -24 2  12 o 140.9579 1.504958  199.0952       4.242309  200.6979       6.050033  197.5449       5.950273  1.113388       3.009916  
1 1 1 -24 2  13 o 46.63389 0.6469322 21.74084       0.6031400 22.28894       0.8680542 21.22924       0.8386434 1.135551       1.293864  
1 1 1 -24 2  14 o 114.2191 1.240162  130.6075       2.832226  132.4674       4.063090  128.8495       3.950048  1.578995       2.480324  
1 1 1 -24 2  15 o 88.60464 0.9940730 78.50257       1.760223  80.52680       2.550803  76.66235       2.432100  2.176697       1.988146  
1 1 1 -24 2  16 o 88.04536 0.9894081 77.56194       1.741697  76.39905       2.426322  78.79818       2.501668  -1.359871      1.978816  
1 1 1 -24 2  17 o 25.87752 0.6071442 6.687103       0.3138763 6.458834       0.4315830 6.943397       0.4573095 -0.9357109     1.214288  
1 1 1 -24 2  18 o 102.1053 1.123954  104.3716       2.294878  103.3448       3.211636  105.4427       3.280349  -1.024467      2.247909  
1 1 1 -24 2  19 f 95.71722 1.062998  91.71828       2.034745  92.55775       2.902289  90.90683       2.853458  0.8603973      2.125995  
1 1 1 -24 2  20 o 35.13395 0.6091870 12.10908       0.4238773 10.46069       0.5561184 14.39440       0.6548051 -5.595703      1.218374  
1 1 1 -24 2  21 o 70.78686 0.8389546 50.09070       1.186714  48.78321       1.637491  51.53704       1.722251  -1.942108      1.677909  
1 1 1 -24 2  22 o 74.98074 0.8751823 56.20778       1.311339  54.70957       1.810039  57.86285       1.902437  -2.099136      1.750365  
1 1 1 -24 2  23 o 98.92683 1.096743  97.94083       2.168640  100.0699       3.133141  95.98269       3.004729  2.059418       2.193487  
1 1 1 -24 2  24 o 82.19375 0.9425697 67.61494       1.549088  68.56342       2.220585  66.71577       2.162071  1.121414       1.885139  
1 1 1 -24 2  25 o 56.52352 0.7285550 31.52692       0.8163816 35.33567       1.260721  28.77653       1.071337  5.795555       1.457110  
1 1 1 -24 2  26 o 31.43019 0.6189268 9.868925       0.3887091 10.23309       0.5645822 9.540734       0.5359687 1.100544       1.237854  
1 1 1 -24 2  27 f 87.38573 0.9927266 76.40246       1.733840  78.32141       2.508377  74.64675       2.399297  2.096939       1.985453  
1 1 1 -24 2  28 o 35.80472 0.6400627 12.72283       0.4563042 11.28818       0.6161246 14.46566       0.6790828 -4.435074      1.280125  
1 1 1 -24 2  29 o 157.1162 2.052628  249.4277       6.120407  245.3912       10.41176  251.5589       7.565583  -2.278778      4.105257  
1 1 1 -24 2  30 o 57.14057 0.9726859 31.54111       1.064205  36.65545       1.840498  28.97241       1.304358  6.693066       1.945372  
1 1 1 -24 2  31 o 94.00649 1.494005  88.67496       2.807950  87.21365       3.909125  90.23266       4.035994  -1.594040      2.988011  
1 1 1 -24 2  32 o 29.09599 0.8892943 8.476160       0.5174219 8.304684       0.7247843 8.654386       0.7389104 -0.6000900     1.778589  
1 1 1 -24 2  33 o 61.56022 1.095646  37.92899       1.347728  36.66991       1.857912  39.32734       1.957971  -2.150696      2.191292  
1 1 1 -24 2  34 f 9.131298 1.729197  0.8697034      0.3285559 1.094024       0.4579279 0.6317144      0.4716733 2.198538       3.458393  
1 1 1 -24 2  35 o 24.90968 0.8373961 6.226547       0.4008271 6.258301       0.5022547 6.170850       0.6651807 0.1860504      1.674792  
1 1 1 -24 2  36 o 58.35664 1.072472  33.98769       1.247801  36.11842       1.856380  32.23157       1.685313  3.314976       2.144945  
1 1 1 -24 2  37 o 32.74122 0.7067014 10.69591       0.4602126 10.39710       0.6155124 11.07474       0.6930413 -1.030006      1.413403  
1 1 1 -24 2  38 o 91.82575 1.053152  84.33759       1.929951  88.03973       2.844496  81.17954       2.627166  3.713364       2.106304  
1 1 1 -24 2  39 o 41.47983 0.6856546 17.14749       0.5674547 15.82840       0.7728983 18.68999       0.8357910 -3.444916      1.371309  
1 1 1 -24 2  40 f 30.86714 0.6842484 9.533583       0.4221643 10.00828       0.6057708 9.085330       0.5886579 1.493792       1.368497  
1 1 1 -24 2  41 o 44.22540 0.7072017 19.49676       0.6239980 18.18217       0.8477979 21.05076       0.9217686 -3.237232      1.414403  
1 1 1 -24 2  42 o 76.43928 0.9236448 58.55855       1.411346  57.36380       1.958609  59.84896       2.035501  -1.617004      1.847290  
1 1 1 -24 2  43 o 14.78859 1.015468  2.201668       0.2985939 2.491673       0.4244270 1.917469       0.4201564 1.940815       2.030936  
1 1 1 -24 2  44 o 16.56206 0.9339943 2.753523       0.3090068 2.921394       0.4385193 2.587957       0.4354995 1.006247       1.867989  
1 1 1 -24 2  45 o 87.20694 1.021409  76.31099       1.780588  77.90089       2.567759  74.83833       2.471275  1.742241       2.042818  
1 1 1 -24 2  46 o 39.57606 0.7188624 15.66811       0.5684353 14.78930       0.7863845 16.62976       0.8226170 -2.321419      1.437725  
1 1 1 -24 2  47 o 42.57960 0.7323334 18.14453       0.6231443 18.86749       0.9036543 17.48906       0.8604504 1.613873       1.464667  
1 1 1 -24 2  48 o 42.31649 0.7389164 17.94121       0.6251088 17.25456       0.8723866 18.66579       0.8961676 -1.664516      1.477833  
1 1 1 -24 2  49 o 31.56801 0.7588351 9.968517       0.4784754 10.63588       0.6964822 9.372041       0.6584511 1.996696       1.517670  
1 1 1 -24 2  50 o 27.83620 0.8004458 7.763853       0.4445706 7.045739       0.6174366 8.536958       0.6406407 -2.675259      1.600892  
1 1 1 -24 2  51 o 45.32334 0.7649165 20.60645       0.6933658 20.72126       0.9823554 20.49248       0.9787891 0.2518692      1.529833  
1 1 1 -24 2  52 o 62.36941 0.8496613 38.99040       1.058816  37.55058       1.458392  40.59525       1.539697  -2.427036      1.699323  
1 1 1 -24 2  53 o 18.21947 1.047428  3.344319       0.3814108 3.251893       0.5442372 3.433529       0.5346825 -0.5006599     2.094856  
1 1 1 -24 2  54 o 15.73180 1.194350  2.485030       0.3739373 2.857559       0.5479708 2.160365       0.5115593 2.206321       2.388700  
1 1 1 -24 2  55 o 40.31686 1.104754  16.36977       0.8903711 16.89627       1.283604  15.88153       1.236090  1.246254       2.209509  
1 1 1 -24 2  56 o 23.18904 2.688204  0.000000       0.000000  ?              ?         5.516033       1.246737  ?              ?         
1 1 1 -24 2  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 3  1  o 22.74507 0.8959418 5.160939       0.4068218 4.893377       0.5552734 5.470989       0.5977365 -1.268206      1.791884  
1 1 1 -24 3  2  o 44.96600 0.9086378 20.19705       0.8161138 19.46749       1.120097  21.02263       1.191531  -1.726734      1.817276  
1 1 1 -24 3  3  f 113.6028 1.752080  128.7958       3.964639  136.6566       5.938408  122.4745       5.325265  6.202477       3.504161  
1 1 1 -24 3  4  o 48.22327 0.6502928 23.25797       0.6270933 22.78879       0.8784171 23.74559       0.8955177 -0.9916649     1.300586  
1 1 1 -24 3  5  o 36.64100 0.5782071 13.42293       0.4236017 13.12537       0.5905893 13.73821       0.6079127 -0.8359146     1.156414  
1 1 1 -24 3  6  o 103.8773 1.136896  107.9869       2.361025  109.8616       3.396904  106.2348       3.283948  1.741287       2.273793  
1 1 1 -24 3  7  o 27.56712 0.5596718 7.582119       0.3080981 7.041746       0.4245736 8.183192       0.4477855 -2.069860      1.119344  
1 1 1 -24 3  8  f 121.2484 1.307625  146.9373       3.165444  152.3775       4.644033  142.2166       4.326087  4.176018       2.615249  
1 1 1 -24 3  9  o 43.52106 0.6249676 18.93145       0.5437487 19.58877       0.7825091 18.31772       0.7561229 1.459713       1.249935  
1 1 1 -24 3  10 o 74.06448 0.8582859 54.51821       1.265221  58.61853       1.906658  51.29210       1.691236  4.939720       1.716572  
1 1 1 -24 3  11 o 67.73273 0.8043994 45.90136       1.089623  46.30494       1.550995  45.50807       1.531116  0.5877075      1.608799  
1 1 1 -24 3  12 o 127.3300 1.369861  162.1065       3.483004  157.1465       4.767728  167.7832       5.100518  -4.161354      2.739723  
1 1 1 -24 3  13 o 117.6865 1.274637  138.6485       2.998967  141.0712       4.314810  136.3844       4.171196  1.985016       2.549273  
1 1 1 -24 3  14 o 85.02705 0.9609759 72.08737       1.629510  68.95899       2.205942  75.84463       2.417512  -4.042107      1.921952  
1 1 1 -24 3  15 o 122.5911 1.324776  150.3423       3.244561  154.6693       4.723131  146.4757       4.464767  3.329948       2.649552  
1 1 1 -24 3  16 o 68.19301 0.8138177 46.46317       1.108787  48.03339       1.613382  45.05777       1.526357  2.179260       1.627635  
1 1 1 -24 3  17 o 78.19122 0.8998102 60.84916       1.401392  57.64679       1.881584  64.83856       2.100111  -4.591652      1.799620  
1 1 1 -24 3  18 o 146.0376 1.558966  213.8290       4.553351  213.8795       6.437991  213.7785       6.440832  0.3472900E-01  3.117931  
1 1 1 -24 3  19 o 54.53054 0.7113086 29.74127       0.7755812 30.28760       1.111581  29.22300       1.082665  0.9753189      1.422617  
1 1 1 -24 3  20 o 118.0221 1.280264  139.5376       3.021495  138.0846       4.227317  141.0553       4.320279  -1.253464      2.560528  
1 1 1 -24 3  21 o 97.95216 1.085885  96.08698       2.127295  96.13675       3.008110  96.03719       3.008790  0.5084991E-01  2.171770  
1 1 1 -24 3  22 o 58.06499 0.7349860 33.73013       0.8533979 34.18560       1.220524  33.29446       1.193697  0.7664719      1.469972  
1 1 1 -24 3  23 o 27.37506 0.6316878 7.460186       0.3434583 6.308106       0.4692021 8.790134       0.5041227 -4.532373      1.263376  
1 1 1 -24 3  24 o 96.47473 1.321875  92.01229       2.363946  96.67706       4.279769  89.96425       2.835793  3.390892       2.643750  
1 1 1 -24 3  25 o 77.84721 1.269255  60.70061       1.975357  59.55682       2.746380  61.92656       2.843294  -1.516075      2.538510  
1 1 1 -24 3  26 o 91.73853 1.453915  84.19696       2.662227  87.69987       3.917776  81.19186       3.628732  3.525764       2.907831  
1 1 1 -24 3  27 o 85.83197 1.375967  73.85701       2.361531  72.86488       3.298423  74.90042       3.382587  -1.179665      2.751935  
1 1 1 -24 3  28 o 89.91669 1.431708  81.07645       2.574040  82.26134       3.690735  79.95423       3.591766  1.275261       2.863416  
1 1 1 -24 3  29 o 82.12741 1.218853  67.55028       1.963711  67.31858       2.538825  67.89532       3.098167  -0.3134232     2.437706  
1 1 1 -24 3  30 o 79.96162 1.135177  63.73693       1.705959  63.09647       2.077748  65.06195       2.988510  -1.169273      2.270353  
1 1 1 -24 3  31 o 54.70182 0.7282599 29.94620       0.7966710 30.39156       1.135711  29.51476       1.117828  0.8006058      1.456520  
1 1 1 -24 3  32 f 85.22373 0.9795507 72.73053       1.669029  71.43321       2.323048  74.11469       2.399537  -1.567993      1.959101  
1 1 1 -24 3  33 o 52.85352 0.7225424 27.72397       0.7598591 30.34494       1.147958  25.68012       1.013724  4.406170       1.445085  
1 1 1 -24 3  34 f 28.46824 0.6631036 8.112276       0.3775172 8.057290       0.5361557 8.166342       0.5316527 -0.1917496     1.326207  
1 1 1 -24 3  35 o 40.15740 0.9142865 15.80409       0.7261986 18.90809       1.130198  13.62145       0.9477293 6.569077       1.828573  
1 1 1 -24 3  36 o 53.47539 0.7323862 28.62013       0.7830814 28.10392       1.092026  29.16657       1.123535  -0.9916420     1.464772  
1 1 1 -24 3  37 o 10.35324 1.291845  1.137979       0.2524223 1.581190       0.3563645 0.6916986      0.3575968 4.410416       2.583690  
1 1 1 -24 3  38 o 7.581194 1.525120  0.5760689      0.2537542 0.3342970      0.3545274 0.8300389      0.3633609 -2.651920      3.050241  
1 1 1 -24 3  39 o 51.25558 0.7980381 26.46049       0.8136029 28.28727       1.120678  24.42464       1.183072  3.773190       1.596076  
1 1 1 -24 3  40 o 38.93981 0.6816244 15.15046       0.5302459 14.32414       0.7306188 16.07006       0.7707517 -2.238869      1.363249  
1 1 1 -24 3  41 o 28.63712 0.7033054 8.215546       0.4026898 8.145189       0.5752009 8.283176       0.5639447 -0.2418346     1.406611  
1 1 1 -24 3  42 o 17.52726 0.8954751 3.083218       0.3128830 2.771258       0.4386973 3.406184       0.4463693 -1.810415      1.790950  
1 1 1 -24 3  43 o 33.28200 0.6943131 11.09410       0.4621093 11.28663       0.6594012 10.90829       0.6477957 0.5673370      1.388626  
1 1 1 -24 3  44 f 45.50433 0.7235092 20.60896       0.6560692 22.45296       0.9798502 19.11050       0.8832887 3.663197       1.447018  
1 1 1 -24 3  45 f 52.34901 0.7605049 27.44502       0.7958405 28.16001       1.147781  26.78300       1.104446  1.310589       1.521010  
1 1 1 -24 3  46 o 28.64639 0.7558475 8.226102       0.4329531 8.011209       0.6110750 8.442712       0.6135085 -0.7528858     1.511695  
1 1 1 -24 3  47 o 16.23694 0.9987053 2.652238       0.3237695 2.520907       0.4631104 2.777798       0.4528215 -0.7926474     1.997411  
1 1 1 -24 3  48 o 6.918348 1.698450  0.4214634      0.2919635 0.5768790      0.4206470 0.2769939      0.4055634 1.408212       3.396900  
1 1 1 -24 3  49 o 16.69141 1.053300  2.831585       0.3416573 2.030663       0.4744064 3.694596       0.4924516 -4.981145      2.106601  
1 1 1 -24 3  50 o 41.11781 0.7407063 16.94743       0.6090077 16.60510       0.8513896 17.30612       0.8714963 -0.8497810     1.481413  
1 1 1 -24 3  51 o 21.10786 0.9433922 4.489285       0.3923002 3.530882       0.5431614 5.534442       0.5672125 -4.741690      1.886784  
1 1 1 -24 3  52 o 31.50064 0.7852987 9.957466       0.4947369 9.978564       0.7023460 9.936687       0.6970118 0.6562996E-01  1.570597  
1 1 1 -24 3  53 o 15.72609 1.153174  2.492617       0.3626046 2.568170       0.5189630 2.420549       0.5068521 0.4662409      2.306348  
1 1 1 -24 3  54 f 19.09011 1.112688  3.620337       0.4203725 4.027515       0.6543524 3.334198       0.5485396 1.789820       2.225376  
1 1 1 -24 3  55 f 15.56019 1.752889  2.505450       0.5284059 2.953959       0.7630020 2.092096       0.7324891 2.970924       3.505779  
1 1 1 -24 3  56 o 51.68062 1.157767  26.96841       1.196117  26.81516       1.715332  27.11346       1.668760  -0.3021965     2.315533  
1 1 1 -24 3  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 4  1  f 81.01895 0.9204854 65.69350       1.491292  64.94260       2.086315  66.47797       2.132454  -0.9457169     1.840971  
1 1 1 -24 4  2  o 46.41438 0.6305999 21.51801       0.5847892 20.80331       0.8052187 22.31571       0.8506868 -1.628063      1.261200  
1 1 1 -24 4  3  f 38.65478 0.8815709 14.95396       0.6813802 14.91835       0.9528635 14.99122       0.9747432 -0.9350967E-01 1.763142  
1 1 1 -24 4  4  o 102.3714 1.602629  104.8509       3.275746  108.9536       4.804114  101.2859       4.478241  3.725456       3.205258  
1 1 1 -24 4  5  o 65.95624 1.138053  43.50860       1.499763  42.46502       2.066822  44.66924       2.179642  -1.666313      2.276106  
1 1 1 -24 4  6  o 72.38813 1.212317  52.42226       1.754005  53.98995       2.537170  50.98712       2.427536  2.069397       2.424633  
1 1 1 -24 4  7  o 17.68911 0.8135496 2.594794       0.2565610 4.469392       0.5333537 2.030436       0.2926433 6.886991       1.627099  
1 1 1 -24 4  8  o 26.65791 0.5649113 7.096905       0.3009275 6.738215       0.4164044 7.489034       0.4353811 -1.407875      1.129823  
1 1 1 -24 4  9  f 64.51405 0.7745535 41.49303       0.9969956 43.79004       1.473587  39.55392       1.353930  3.279892       1.549107  
1 1 1 -24 4  10 o 42.94027 0.6136912 18.44106       0.5269564 18.21236       0.7372022 18.68001       0.7535235 -0.5441818     1.227382  
1 1 1 -24 4  11 o 73.68085 0.8563131 54.12336       1.258618  57.08755       1.863310  51.63603       1.706869  3.694786       1.712626  
1 1 1 -24 4  12 o 14.59504 0.7330537 2.123541       0.2135902 1.983659       0.2921395 2.284184       0.3130698 -1.029014      1.466107  
1 1 1 -24 4  13 f 118.2232 1.279578  139.4821       3.016499  133.7808       4.081096  146.3479       4.478492  -5.297195      2.559155  
1 1 1 -24 4  14 o 85.02061 0.9622213 72.05948       1.631324  76.02377       2.422754  68.77139       2.206467  4.257698       1.924443  
1 1 1 -24 4  15 o 49.32431 0.6633389 24.18350       0.6519367 22.57577       0.8769038 26.17025       0.9748029 -3.641357      1.326678  
1 1 1 -24 4  16 o 78.79775 0.9052608 62.06001       1.425274  63.99597       2.071693  60.32025       1.963908  2.328735       1.810522  
1 1 1 -24 4  17 o 33.95803 0.5909743 11.53578       0.4013626 11.51061       0.5661458 11.56122       0.5690906 -0.7445526E-01 1.181949  
1 1 1 -24 4  18 f 66.17230 0.7953950 43.81871       1.052649  43.98348       1.493359  43.65601       1.484025  0.2471313      1.590790  
1 1 1 -24 4  19 o 74.60913 0.8717064 55.70240       1.300523  55.00765       1.818875  56.42911       1.860259  -0.9510727     1.743413  
1 1 1 -24 4  20 o 31.55834 0.7065408 9.359660       0.4160252 11.65344       0.7687706 8.409743       0.4947251 5.130682       1.413082  
1 1 1 -24 4  21 o 23.29901 0.8310180 5.433297       0.3871355 5.269533       0.5456036 5.599347       0.5494006 -0.7076454     1.662036  
1 1 1 -24 4  22 o 45.53544 0.8964828 20.62200       0.8134030 19.23447       1.094192  22.33590       1.216091  -3.400543      1.792966  
1 1 1 -24 4  23 o 54.73918 0.9887417 29.91081       1.080327  31.42886       1.589959  28.60891       1.472427  2.570396       1.977483  
1 1 1 -24 4  24 o 47.28827 0.9118348 22.36669       0.8619467 21.74702       1.196014  23.03633       1.243315  -1.361172      1.823670  
1 1 1 -24 4  25 o 32.12541 0.7355956 10.56046       0.4553680 11.32199       0.5840650 9.380030       0.7271791 3.027613       1.471191  
1 1 1 -24 4  26 o 45.14586 0.6591804 20.39361       0.5951722 20.24538       0.8384470 20.54417       0.8449926 -0.3306885     1.318361  
1 1 1 -24 4  27 o 98.48639 1.096953  96.79402       2.154127  101.8412       3.200465  92.61387       2.912629  4.667648       2.193906  
1 1 1 -24 4  28 o 62.40040 0.7798671 38.90025       0.9721214 37.50249       1.335498  40.47550       1.417761  -2.378693      1.559734  
1 1 1 -24 4  29 o 87.25264 0.9944204 76.00966       1.731249  79.65440       2.556600  72.92285       2.352791  3.845978       1.988841  
1 1 1 -24 4  30 f 68.66037 0.8309605 47.18091       1.140818  46.40349       1.592543  48.00034       1.635014  -1.160713      1.661921  
1 1 1 -24 4  31 o 64.52411 0.8015136 41.67724       1.034248  41.14757       1.451000  42.22425       1.474579  -0.8330612     1.603027  
1 1 1 -24 4  32 o 56.27305 0.7435059 31.58826       0.8348171 33.31074       1.233354  30.13186       1.134100  2.819321       1.487012  
1 1 1 -24 4  33 o 85.98517 0.9885387 74.03970       1.699391  72.70231       2.365239  75.46680       2.443263  -1.602119      1.977077  
1 1 1 -24 4  34 o 75.97762 1.262792  57.64070       1.912046  61.16227       2.853784  54.77214       2.575639  4.178711       2.525584  
1 1 1 -24 4  35 o 64.27245 0.8080840 41.37196       1.038750  41.31284       1.468069  41.43124       1.469961  -0.9197235E-01 1.616168  
1 1 1 -24 4  36 f 27.81162 0.6789238 7.665717       0.3754538 8.903593       0.5614573 6.664402       0.5049675 4.022339       1.357848  
1 1 1 -24 4  37 o 73.07634 0.8825033 53.50881       1.289772  53.20801       1.816371  53.81471       1.831751  -0.4138565     1.765007  
1 1 1 -24 4  38 o 25.19490 0.7015091 6.332381       0.3524329 7.066174       0.5147628 5.684925       0.4835325 2.738905       1.403018  
1 1 1 -24 4  39 o 20.37016 1.203041  4.164491       0.4898451 3.972118       0.6839306 4.367110       0.7019104 -0.9672623     2.406081  
1 1 1 -24 4  40 o 33.95403 0.6867697 11.54315       0.4662165 11.63878       0.6691697 11.45296       0.6499113 0.2721825      1.373539  
1 1 1 -24 4  41 o 78.10557 0.9350099 60.94403       1.456779  58.05356       1.975106  64.39245       2.157326  -4.037903      1.870020  
1 1 1 -24 4  42 o 25.05657 0.7325557 6.282374       0.3667492 5.906125       0.5096613 6.686426       0.5281563 -1.555386      1.465111  
1 1 1 -24 4  43 o 38.25132 0.7053049 14.58258       0.5379894 13.19695       0.7333041 16.19773       0.7917123 -3.916992      1.410610  
1 1 1 -24 4  44 o 47.00753 0.7290263 22.14235       0.6853599 21.84776       0.9676308 22.43892       0.9708679 -0.6284714     1.458053  
1 1 1 -24 4  45 o 31.92416 0.7224131 10.17737       0.4598872 9.136707       0.6319186 11.34920       0.6705572 -3.461241      1.444826  
1 1 1 -24 4  46 f 22.85770 0.8258693 5.238853       0.3775035 5.355643       0.5369442 5.124699       0.5308491 0.5044384      1.651739  
1 1 1 -24 4  47 f 30.50949 0.7360014 9.322501       0.4488811 9.604297       0.6472546 9.061377       0.6230638 0.8869381      1.472003  
1 1 1 -24 4  48 o 20.95772 0.8736787 4.395113       0.3654925 4.794989       0.5323971 4.038669       0.5026533 1.799883       1.747357  
1 1 1 -24 4  49 o 23.13832 0.8396372 5.365077       0.3882674 5.578770       0.5623505 5.170410       0.5367311 0.8786354      1.679274  
1 1 1 -24 4  50 o 26.32296 0.8115926 6.934585       0.4264278 7.578688       0.6191056 6.353182       0.5882004 2.323267       1.623185  
1 1 1 -24 4  51 o 52.15324 0.7947078 27.29450       0.8289242 27.16195       1.169421  27.42835       1.175151  -0.2545090     1.589416  
1 1 1 -24 4  52 o 43.54850 0.7698172 18.78070       0.6660680 21.52233       1.012627  16.68998       0.8842878 5.528122       1.539634  
1 1 1 -24 4  53 o 15.83439 1.175147  2.523633       0.3715112 2.742039       0.5381996 2.324841       0.5134650 1.310887       2.350294  
1 1 1 -24 4  54 f 24.14580 1.158004  5.777730       0.5530525 6.571074       0.8640273 5.227081       0.7198367 2.745657       2.316008  
1 1 1 -24 4  55 o 8.705976 2.143545  0.6940153      0.4596442 0.8616082      0.6740023 0.5483079      0.6284554 1.249888       4.287091  
1 1 1 -24 4  56 o 31.76198 1.113940  10.17389       0.7074407 10.07011       0.9875205 10.28330       1.013947  -0.3282814     2.227881  
1 1 1 -24 4  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 5  1  f 88.39996 0.9879919 78.17359       1.745588  76.50238       2.415634  79.99998       2.525283  -1.973473      1.975984  
1 1 1 -24 5  2  o 112.0663 1.216387  125.7969       2.725985  127.0570       3.892179  124.5836       3.819110  1.099670       2.432773  
1 1 1 -24 5  3  o 63.16987 0.7598494 39.58796       0.9544810 43.09026       1.447516  36.89370       1.269596  4.898975       1.519699  
1 1 1 -24 5  4  o 114.1985 1.238598  130.5880       2.827918  128.6893       3.936971  132.6118       4.064643  -1.710983      2.477196  
1 1 1 -24 5  5  o 41.83074 0.6051051 17.15318       0.5009298 20.17613       0.7792181 15.02391       0.6539707 6.155434       1.210210  
1 1 1 -24 5  6  o 72.92813 0.8482811 53.00796       1.233543  50.57581       1.667857  55.94483       1.832767  -3.675690      1.696562  
1 1 1 -24 5  7  o 22.60852 0.9470826 5.083325       0.4241613 6.156546       0.6259546 4.172139       0.5767690 4.386900       1.894165  
1 1 1 -24 5  8  o 112.3526 1.742307  126.2095       3.904385  121.2896       5.292298  132.0854       5.783625  -4.772987      3.484613  
1 1 1 -24 5  9  f 88.95582 1.431946  79.27509       2.547206  80.70963       3.641056  77.90005       3.564742  1.575211       2.863893  
1 1 1 -24 5  10 f 76.31023 1.151770  57.91522       1.705854  59.93281       2.792162  56.71367       2.154744  2.082710       2.303539  
1 1 1 -24 5  11 o 22.24798 0.7947311 5.037490       0.3160750 4.763322       0.5931627 5.146208       0.3735223 -0.8666382     1.589462  
1 1 1 -24 5  12 o 15.00108 0.7316853 2.225151       0.2105460 1.453945       0.2803540 3.222775       0.3188636 -5.894677      1.463371  
1 1 1 -24 5  13 o 27.44015 0.5785283 7.531253       0.3174670 7.463017       0.4452010 7.601847       0.4528285 -0.2528038     1.157057  
1 1 1 -24 5  14 o 45.75177 0.6377999 20.50211       0.5767078 18.15540       0.7486867 23.92624       0.9043694 -6.302906      1.275600  
1 1 1 -24 5  15 o 155.0518 1.649974  240.8911       5.112291  246.7474       7.415013  235.5852       7.057940  3.576492       3.299949  
1 1 1 -24 5  16 o 49.64693 0.8102140 23.50393       0.7360941 27.54540       1.395985  21.94749       0.8663161 5.620472       1.620428  
1 1 1 -24 5  17 o 108.1166 1.663882  116.7134       3.584026  123.4508       5.358767  111.2606       4.820943  5.599953       3.327765  
1 1 1 -24 5  18 o 103.3478 1.599596  107.0551       3.304284  104.7732       4.577346  109.5382       4.774835  -2.291649      3.199191  
1 1 1 -24 5  19 o 52.91041 0.9539712 27.88256       1.006332  29.84118       1.497535  26.26983       1.358883  3.369038       1.907942  
1 1 1 -24 5  20 o 26.93819 0.7140461 7.114098       0.3707839 6.740098       0.4606656 7.802124       0.6248171 -1.965973      1.428092  
1 1 1 -24 5  21 o 76.17176 1.072993  58.30134       1.555455  58.74534       1.927680  57.47277       2.633324  0.8693695      2.145985  
1 1 1 -24 5  22 o 56.01487 0.7216275 31.20938       0.8055566 29.23188       1.084645  33.64193       1.202981  -3.932529      1.443255  
1 1 1 -24 5  23 o 34.68026 0.6114600 11.94958       0.4225932 10.79008       0.5718858 13.34428       0.6272126 -3.680874      1.222920  
1 1 1 -24 5  24 o 42.79385 0.6415399 18.22173       0.5474973 16.92913       0.7412426 19.77353       0.8121649 -3.321117      1.283080  
1 1 1 -24 5  25 o 40.29897 0.6272710 16.24057       0.5054246 16.64217       0.7252344 15.86132       0.7047619 0.9681511      1.254542  
1 1 1 -24 5  26 o 48.73599 0.6783208 23.31463       0.6537635 26.88157       1.022355  20.84695       0.8503494 6.184898       1.356642  
1 1 1 -24 5  27 o 81.65623 0.9410099 66.76557       1.536718  67.04864       2.185300  66.48866       2.161394  0.3416595      1.882020  
1 1 1 -24 5  28 o 82.53912 0.9519302 67.85264       1.565143  72.25879       2.343975  64.30741       2.102548  4.803833       1.903860  
1 1 1 -24 5  29 o 58.19369 0.7494301 33.86857       0.8718441 32.94853       1.210904  34.85888       1.256296  -1.639355      1.498860  
1 1 1 -24 5  30 o 54.31371 0.7220472 29.52645       0.7842942 29.65402       1.116243  29.40208       1.102209  0.2312737      1.444094  
1 1 1 -24 5  31 o 110.6126 1.219218  122.6666       2.696511  120.9105       3.761650  124.5228       3.867434  -1.623894      2.438436  
1 1 1 -24 5  32 o 70.18687 0.8491588 49.26984       1.191022  47.84913       1.644223  50.83827       1.727585  -2.124458      1.698318  
1 1 1 -24 5  33 f 25.57159 0.8811035 6.511051       0.4491291 7.281296       0.6626039 5.856377       0.6108739 2.782833       1.762207  
1 1 1 -24 5  34 o 76.64880 0.9075278 58.85863       1.391210  58.68580       1.963333  59.03293       1.971630  -0.2258453     1.815056  
1 1 1 -24 5  35 o 49.76692 0.7121516 24.60319       0.7056684 22.78680       0.9449859 26.89289       1.060989  -4.118374      1.424303  
1 1 1 -24 5  36 o 16.65125 0.8463666 2.775532       0.2814988 2.584096       0.3925572 2.978175       0.4038833 -1.182478      1.692733  
1 1 1 -24 5  37 o 34.55369 0.6615610 11.94725       0.4570585 12.29616       0.6552391 11.61659       0.6378674 0.9822350      1.323122  
1 1 1 -24 5  38 o 43.70641 0.6894951 19.10075       0.6021960 19.82318       0.8739175 18.44759       0.8309722 1.570587       1.378990  
1 1 1 -24 5  39 o 30.37922 0.6868890 9.230089       0.4165977 8.481396       0.5787110 10.03539       0.6001922 -2.556093      1.373778  
1 1 1 -24 5  40 o 31.30090 0.6891413 9.789202       0.4304654 8.914200       0.5944988 10.75357       0.6241211 -2.935905      1.378283  
1 1 1 -24 5  41 o 75.10826 0.9093716 56.52919       1.365395  55.22866       1.896017  57.93024       1.967911  -1.790581      1.818743  
1 1 1 -24 5  42 o 56.98926 0.7762239 32.36628       0.8819500 30.27507       1.191034  34.90501       1.312297  -4.050034      1.552448  
1 1 1 -24 5  43 o 24.81326 0.7440238 6.171344       0.3690784 6.117864       0.5283476 6.222310       0.5157903 -0.2117214     1.488048  
1 1 1 -24 5  44 o 33.56648 0.7141795 11.27047       0.4785856 10.35238       0.6633496 12.26714       0.6911507 -2.849457      1.428359  
1 1 1 -24 5  45 o 48.16478 0.7360634 23.20787       0.7083773 22.23476       0.9765972 24.28832       1.029053  -2.126186      1.472127  
1 1 1 -24 5  46 f 31.89179 0.7279039 10.19394       0.4639647 9.700763       0.6524173 10.69855       0.6599377 -1.563515      1.455808  
1 1 1 -24 5  47 o 38.56903 0.7224212 14.82754       0.5556135 16.08173       0.8249214 13.78614       0.7516872 2.967247       1.444842  
1 1 1 -24 5  48 o 45.15895 0.7409871 20.37953       0.6680852 19.19654       0.9133267 21.74099       0.9798024 -2.808567      1.481974  
1 1 1 -24 5  49 f 31.97099 0.7586771 10.16597       0.4829834 11.52671       0.7194890 9.049813       0.6516255 3.864559       1.517354  
1 1 1 -24 5  50 o 36.98006 0.7612147 13.71970       0.5628633 13.40559       0.7971761 14.03197       0.7948471 -0.8472404     1.522429  
1 1 1 -24 5  51 o 12.29030 1.409405  1.554635       0.3375319 1.439256       0.4841626 1.663735       0.4708020 -1.095488      2.818809  
1 1 1 -24 5  52 o 52.47609 0.7992917 27.62569       0.8385661 28.25783       1.206085  27.03415       1.166718  1.159286       1.598583  
1 1 1 -24 5  53 o 30.83035 0.8700045 9.235672       0.5257995 11.18735       0.8537350 8.042981       0.6673948 5.063486       1.740009  
1 1 1 -24 5  54 o 28.35699 1.086845  7.948677       0.6093897 9.145405       0.9537197 7.122979       0.7921979 3.525948       2.173690  
1 1 1 -24 5  55 o 39.40782 1.094747  15.56379       0.8600829 16.95502       1.279275  14.41621       1.161866  3.189438       2.189494  
1 1 1 -24 5  56 o 17.67369 1.493443  3.184986       0.5245938 3.581753       0.7408745 2.786041       0.7429051 2.251858       2.986887  
1 1 1 -24 5  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 6  1  o 108.3203 1.181019  117.5067       2.557930  119.0913       3.666985  116.0049       3.569889  1.419464       2.362038  
1 1 1 -24 6  2  o 43.03667 0.6063117 18.33696       0.5187718 16.79905       0.6892826 20.34626       0.7878697 -4.118462      1.212623  
1 1 1 -24 6  3  o 120.4319 1.299545  145.3344       3.129936  146.3173       4.456585  144.3778       4.396815  0.8017731      2.599090  
1 1 1 -24 6  4  f 92.69156 1.029869  85.97948       1.908404  87.70158       2.747616  84.37437       2.652668  1.790489       2.059737  
1 1 1 -24 6  5  o 23.81221 0.5527101 5.661662       0.2629774 5.386295       0.3630238 5.965731       0.3814742 -1.216240      1.105420  
1 1 1 -24 6  6  o 25.31579 0.5540066 6.401673       0.2800882 6.913288       0.4039780 5.928087       0.3886741 1.945469       1.108013  
1 1 1 -24 6  7  o 44.15061 0.6213074 19.13197       0.5427597 17.03427       0.7073338 22.13566       0.8464082 -5.773689      1.242615  
1 1 1 -24 6  8  o 79.03756 0.9031218 62.49667       1.427126  63.67884       2.051110  61.38731       1.986941  1.447296       1.806244  
1 1 1 -24 6  9  o 113.6189 1.234103  129.2846       2.803782  127.8441       3.918185  130.7963       4.013838  -1.294426      2.468206  
1 1 1 -24 6  10 o 114.8232 1.617593  132.8224       3.661968  135.9421       4.823014  128.5756       5.627077  3.259544       3.235185  
1 1 1 -24 6  11 o 59.74437 0.9360341 34.22304       0.9955252 32.56324       1.154253  39.04380       1.967119  -5.393440      1.872068  
1 1 1 -24 6  12 o 81.19483 1.338350  66.05082       2.173161  65.23823       3.049452  66.88934       3.097744  -1.014145      2.676701  
1 1 1 -24 6  13 o 37.72210 1.299641  0.000000       0.000000  ?              ?         14.24353       0.9805040 ?              ?         
1 1 1 -24 6  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 6  15 o 55.33488 1.368399  0.000000       0.000000  ?              ?         30.65414       1.514403  ?              ?         
1 1 1 -24 6  16 o 62.16231 1.048868  38.32615       1.295479  41.85193       1.974249  35.66003       1.716781  4.968651       2.097736  
1 1 1 -24 6  17 o 44.74368 0.7558202 20.27167       0.6533808 21.01236       0.8319313 19.07935       1.055515  2.167473       1.511640  
1 1 1 -24 6  18 o 88.92445 1.000365  78.80591       1.772880  83.43439       2.644828  75.02923       2.389092  4.714539       2.000731  
1 1 1 -24 6  19 o 38.58513 0.6111235 14.89448       0.4715876 14.81179       0.6634194 14.97894       0.6704878 -0.2164040     1.222247  
1 1 1 -24 6  20 o 73.54277 0.8628121 53.98507       1.266582  51.82784       1.726647  56.49812       1.863619  -3.169792      1.725624  
1 1 1 -24 6  21 o 90.05889 1.012981  81.18460       1.824014  79.97450       2.542254  82.46841       2.618527  -1.380966      2.025962  
1 1 1 -24 6  22 o 71.86647 0.8498099 51.56890       1.219331  49.60916       1.665637  53.83181       1.789842  -2.932747      1.699620  
1 1 1 -24 6  23 o 74.12283 0.8705168 54.86263       1.288230  52.79522       1.759453  57.25167       1.891354  -3.000381      1.741034  
1 1 1 -24 6  24 o 79.32300 0.9171557 62.88380       1.453140  60.85943       1.994215  65.17552       2.121814  -2.714516      1.834311  
1 1 1 -24 6  25 o 63.67486 0.7870204 40.54102       1.001561  41.65534       1.449986  39.52421       1.385085  1.670723       1.574041  
1 1 1 -24 6  26 o 29.32811 0.6179407 8.603243       0.3623586 8.734828       0.5199676 8.478999       0.5052541 0.4356556      1.235881  
1 1 1 -24 6  27 o 41.03128 0.6392709 16.73929       0.5227133 18.13588       0.7807503 15.60476       0.7036963 3.081631       1.278542  
1 1 1 -24 6  28 o 39.30576 0.6344479 15.42741       0.4982264 14.63872       0.6868553 16.30321       0.7237919 -2.115974      1.268896  
1 1 1 -24 6  29 o 26.91963 0.6402095 7.252472       0.3445446 6.985707       0.4854392 7.523278       0.4891008 -0.9983253     1.280419  
1 1 1 -24 6  30 o 69.57642 0.8417233 48.45735       1.171017  47.63633       1.634898  49.32230       1.678082  -1.209084      1.683447  
1 1 1 -24 6  31 o 41.96712 0.6618789 17.57662       0.5544797 18.43273       0.8155399 16.84070       0.7561314 1.893997       1.323758  
1 1 1 -24 6  32 f 77.34650 1.268591  60.00804       1.962129  60.58787       2.803918  59.45162       2.746707  0.7293549      2.537182  
1 1 1 -24 6  33 o 59.48898 0.7705442 35.38913       0.9160914 34.25858       1.265939  36.63200       1.327339  -1.991184      1.541088  
1 1 1 -24 6  34 o 71.87429 0.8689563 51.38548       1.243142  48.21882       1.662010  55.40704       1.872973  -4.985382      1.737913  
1 1 1 -24 6  35 o 40.32233 0.6698060 16.27441       0.5400839 15.88627       0.7591947 16.67211       0.7684779 -0.9739075     1.339612  
1 1 1 -24 6  36 o 74.41495 0.8940518 55.19848       1.325791  52.21541       1.784766  58.87119       1.980355  -4.455666      1.788104  
1 1 1 -24 6  37 o 57.10375 0.7597873 32.55673       0.8659121 34.26376       1.276116  31.10006       1.178831  2.762585       1.519575  
1 1 1 -24 6  38 o 43.67906 0.6897504 19.08253       0.6021720 19.78812       0.8704951 18.43505       0.8338839 1.546223       1.379501  
1 1 1 -24 6  39 o 13.45219 1.029866  1.826835       0.2735620 2.184593       0.3900504 1.480494       0.3837760 2.616338       2.059732  
1 1 1 -24 6  40 o 35.99023 0.6807561 12.97310       0.4899681 12.75257       0.6918783 13.19495       0.6939656 -0.6144257     1.361512  
1 1 1 -24 6  41 o 57.95492 0.7822584 33.51443       0.9044782 31.62386       1.227553  35.75983       1.337797  -3.557545      1.564517  
1 1 1 -24 6  42 o 51.34949 0.7404085 26.42156       0.7603492 26.04584       1.073179  26.80026       1.077426  -0.7341805     1.480817  
1 1 1 -24 6  43 o 6.847788 1.640037  0.4396193      0.2683189 0.3876217      0.3876446 0.4874461      0.3717733 -0.4369192     3.280074  
1 1 1 -24 6  44 f 17.92262 0.9385208 3.250160       0.3324298 2.683916       0.4710109 3.812173       0.4692476 -3.147810      1.877042  
1 1 1 -24 6  45 o 8.236755 1.596510  0.6836484      0.2904039 1.059875       0.4146860 0.3215710      0.4068134 3.643901       3.193021  
1 1 1 -24 6  46 o 27.56106 0.7638415 7.614448       0.4197085 6.825362       0.5854563 8.448772       0.6020043 -2.943167      1.527683  
1 1 1 -24 6  47 o 21.02863 0.8711827 4.434092       0.3657688 4.083690       0.5092200 4.807577       0.5257252 -1.718733      1.742365  
1 1 1 -24 6  48 o 28.03090 0.7692055 7.850914       0.4303465 8.356882       0.6337989 7.418105       0.5861893 1.668081       1.538411  
1 1 1 -24 6  49 o 22.64778 0.8571675 5.146375       0.3861574 4.455441       0.5361798 5.890971       0.5566111 -3.166128      1.714335  
1 1 1 -24 6  50 o 17.80148 1.058839  3.214410       0.3661398 2.290335       0.5056915 4.232610       0.5308219 -5.450397      2.117677  
1 1 1 -24 6  51 o 34.68279 0.7628519 12.05609       0.5288765 12.48405       0.7629243 11.66017       0.7338135 1.183296       1.525704  
1 1 1 -24 6  52 o 18.47481 1.153623  3.261295       0.4125775 4.193265       0.6997898 2.764746       0.5107961 3.817648       2.307245  
1 1 1 -24 6  53 o 36.06513 0.9875776 13.06738       0.7049943 13.21581       1.079857  12.95713       0.9307110 0.3261948      1.975155  
1 1 1 -24 6  54 o 8.245917 2.042592  0.6243355      0.4168158 0.5935952      0.5776581 0.6577247      0.6020303 -0.3122330     4.085184  
1 1 1 -24 6  55 o 30.46128 1.098734  9.360196       0.6691957 9.296379       0.9556590 9.421594       0.9373771 -0.2105999     2.197469  
1 1 1 -24 6  56 o 6.554913 3.037915  0.000000       0.000000  ?              ?         -0.7579396     0.9494210 ?              ?         
1 1 1 -24 7  1  o 45.89771 0.6186662 20.87488       0.5645347 19.30550       0.7500528 22.92573       0.8574216 -3.940681      1.237332  
1 1 1 -24 7  2  o 67.02075 0.7902924 44.95229       1.059288  45.23151       1.505190  44.67827       1.491030  0.4122238      1.580585  
1 1 1 -24 7  3  o 36.64832 0.5659935 13.42582       0.4146530 13.10239       0.5755342 13.77490       0.5979221 -0.9169426     1.131987  
1 1 1 -24 7  4  o 122.6283 1.321836  150.5939       3.239733  147.6458       4.484734  153.8116       4.685185  -2.502037      2.643672  
1 1 1 -24 7  5  f 73.43938 0.8512774 53.97587       1.250250  54.55594       1.781629  53.41308       1.754916  0.7770767      1.702555  
1 1 1 -24 7  6  o 56.21510 0.7022420 31.20163       0.7826321 28.62139       1.027319  34.77021       1.208158  -5.463356      1.404484  
1 1 1 -24 7  7  o 74.34679 0.8590400 55.31892       1.277243  55.85384       1.819866  54.79967       1.793023  0.7079391      1.718080  
1 1 1 -24 7  8  o 88.90968 0.9952300 78.81779       1.764086  75.27006       2.382789  83.12096       2.624242  -4.404518      1.990460  
1 1 1 -24 7  9  o 42.47110 0.6551022 18.05654       0.5518010 17.97730       0.8352612 18.11790       0.7350396 -0.1683807     1.310204  
1 1 1 -24 7  10 f 118.2284 1.639693  140.8569       3.837388  135.6588       5.799972  144.9037       5.117624  -3.958481      3.279386  
1 1 1 -24 7  11 o 150.0283 2.254954  226.4905       6.765867  225.2456       9.517007  227.7627       9.620597  -0.8286591     4.509908  
1 1 1 -24 7  12 f 31.71069 0.7382647 9.694371       0.4595681 12.46350       0.7351633 7.918135       0.5887930 7.162176       1.476529  
1 1 1 -24 7  13 o 99.37503 1.340434  98.10696       2.491841  96.55991       3.017586  101.4233       4.418137  -2.365105      2.680868  
1 1 1 -24 7  14 o 58.05683 0.7318706 33.57058       0.8470855 31.85567       1.143608  35.65524       1.260879  -3.268456      1.463741  
1 1 1 -24 7  15 o 83.30925 1.192227  67.31759       1.786506  64.65149       2.088527  74.58823       3.448963  -5.892159      2.384454  
1 1 1 -24 7  16 o 143.0115 2.181872  205.7583       6.240503  206.7221       8.863221  204.8109       8.788067  0.6607819      4.363744  
1 1 1 -24 7  17 o 92.76691 1.489467  86.17417       2.760271  83.78183       3.795100  88.86111       4.021998  -2.722282      2.978933  
1 1 1 -24 7  18 o 116.4039 1.808327  136.0150       4.208484  138.3007       6.048097  133.8694       5.859762  1.887711       3.616654  
1 1 1 -24 7  19 o 91.35499 1.337955  83.64582       2.390077  83.70116       3.802895  83.60969       3.072794  0.4531860E-02  2.675910  
1 1 1 -24 7  20 o 55.60553 0.8994689 30.66415       0.9209347 31.69338       1.681336  30.22301       1.100743  1.297520       1.798938  
1 1 1 -24 7  21 o 34.46476 0.6037640 11.88578       0.4161176 11.73151       0.5905001 12.03796       0.5864788 -0.4447060     1.207528  
1 1 1 -24 7  22 o 67.31230 0.8123055 45.30862       1.092870  44.17187       1.513018  46.54869       1.580279  -1.762733      1.624611  
1 1 1 -24 7  23 o 92.76849 1.042054  85.97723       1.929598  82.87328       2.631108  89.58951       2.838393  -3.608559      2.084109  
1 1 1 -24 7  24 o 53.53809 0.7117575 28.67857       0.7620265 29.12150       1.088225  28.25243       1.067413  0.8108406      1.423515  
1 1 1 -24 7  25 o 36.07077 0.6205931 12.99966       0.4473710 12.40362       0.6196133 13.64877       0.6466059 -1.725063      1.241186  
1 1 1 -24 7  26 o 43.99843 0.6560383 19.13284       0.5733210 21.48499       0.8756791 17.36814       0.7584864 4.674084       1.312077  
1 1 1 -24 7  27 o 72.06972 0.8583476 51.99670       1.237098  51.47469       1.734845  52.53676       1.764575  -0.7353363     1.716695  
1 1 1 -24 7  28 o 54.71948 0.7265401 29.83870       0.7929385 31.73217       1.175853  28.25951       1.073845  3.168438       1.453080  
1 1 1 -24 7  29 o 64.87196 0.8039536 42.13399       1.043042  41.83410       1.467369  42.44026       1.482924  -0.4663315     1.607907  
1 1 1 -24 7  30 f 97.94899 1.097774  96.15978       2.150347  95.42258       3.018206  96.91973       3.064419  -0.7606888     2.195547  
1 1 1 -24 7  31 o 56.40356 0.9319751 31.64717       1.023852  32.82927       1.661157  30.92301       1.300173  1.666164       1.863950  
1 1 1 -24 7  32 o 60.54573 0.7760478 36.70499       0.9397191 36.48862       1.326724  36.92283       1.331215  -0.3583221     1.552096  
1 1 1 -24 7  33 o 40.74767 0.6601132 16.59052       0.5373462 17.23358       0.7831675 16.01851       0.7386310 1.488567       1.320226  
1 1 1 -24 7  34 o 36.61566 0.6542760 13.42321       0.4790278 13.29510       0.6827092 13.54744       0.6723059 -0.3451538     1.308552  
1 1 1 -24 7  35 o 10.56827 1.241660  1.163799       0.2468067 1.628441       0.3565691 0.7364415      0.3419636 4.353225       2.483321  
1 1 1 -24 7  36 o 13.58936 0.9754592 1.850560       0.2631828 1.563328       0.3642479 2.164308       0.3806895 -2.209623      1.950918  
1 1 1 -24 7  37 o 32.64495 0.6696104 10.66312       0.4366345 10.82197       0.6356520 10.52121       0.6008090 0.4582100      1.339221  
1 1 1 -24 7  38 o 22.57598 0.7473308 5.106685       0.3359270 4.487417       0.4682917 5.763167       0.4821567 -2.824347      1.494662  
1 1 1 -24 7  39 o 26.99978 0.7080843 7.286639       0.3815361 6.639210       0.5277241 7.995666       0.5522586 -2.509987      1.416169  
1 1 1 -24 7  40 f 18.56761 0.9732005 3.520762       0.3545577 3.911987       0.4759941 3.033137       0.5314113 2.373074       1.946401  
1 1 1 -24 7  41 o 17.75369 0.8891373 3.164773       0.3151032 2.935988       0.4452397 3.394349       0.4460078 -1.290802      1.778275  
1 1 1 -24 7  42 o 13.73136 1.073394  1.929799       0.2867483 1.422790       0.4066213 2.431369       0.4044342 -3.672848      2.146788  
1 1 1 -24 7  43 o 5.611789 1.583687  0.1576385      0.2691753 0.8557775E-01  0.3980288 0.2183700      0.3654031 -0.3213902     3.167373  
1 1 1 -24 7  44 o 32.73159 0.7148060 10.65842       0.4662159 11.89477       0.6931075 9.636789       0.6300515 3.442673       1.429612  
1 1 1 -24 7  45 o 40.32077 0.7190669 16.27963       0.5794970 15.48602       0.8079452 17.12046       0.8316332 -2.024269      1.438134  
1 1 1 -24 7  46 o 17.31291 0.9707278 3.011380       0.3359874 2.969907       0.4799389 3.051241       0.4705172 -0.2363911     1.941456  
1 1 1 -24 7  47 o 18.79367 0.9364464 3.538624       0.3514171 3.831315       0.5101709 3.274365       0.4847597 1.477577       1.872893  
1 1 1 -24 7  48 o 35.17936 0.7434995 12.35925       0.5218605 13.14569       0.7714317 11.69568       0.7086084 2.052620       1.486999  
1 1 1 -24 7  49 o 41.71462 0.7495992 17.45482       0.6252790 17.25701       0.8891569 17.64835       0.8794786 -0.4704018     1.499198  
1 1 1 -24 7  50 o 41.75240 0.7640702 17.48578       0.6376324 17.59474       0.9194927 17.38484       0.8849933 0.2461510      1.528140  
1 1 1 -24 7  51 o 54.87122 0.8871616 30.41171       0.9663992 28.64603       1.431403  31.89066       1.310037  -2.978752      1.774323  
1 1 1 -24 7  52 f 17.81295 1.263465  3.193396       0.4480278 3.320218       0.6717783 3.091795       0.6012812 0.6213188      2.526929  
1 1 1 -24 7  53 o 26.81614 1.136214  7.249167       0.6092519 7.296166       0.8716609 7.204276       0.8519035 0.1662827      2.272429  
1 1 1 -24 7  54 o 36.56200 1.071568  13.47332       0.7828280 13.45797       1.131611  13.48740       1.084089  -0.5253601E-01 2.143136  
1 1 1 -24 7  55 f 35.24534 1.084303  12.48222       0.7628782 13.23112       1.121920  11.83817       1.040429  1.954136       2.168605  
1 1 1 -24 7  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 8  1  o 26.61265 0.9572616 7.066604       0.5079457 6.329915       0.6979402 7.896211       0.7406482 -2.940737      1.914523  
1 1 1 -24 8  2  f 27.77462 0.9317645 7.702327       0.5165621 8.418692       0.7507439 7.058239       0.7118641 2.447334       1.863529  
1 1 1 -24 8  3  o 48.97778 0.6416119 23.99104       0.6283181 23.57482       0.8759801 24.43209       0.9017314 -0.8743782     1.283224  
1 1 1 -24 8  4  o 75.30302 0.8681741 56.19681       1.298178  61.38603       1.985150  52.31962       1.715936  6.008980       1.736348  
1 1 1 -24 8  5  o 73.32120 0.8497036 53.70461       1.244252  51.92744       1.705290  55.72789       1.819537  -2.587135      1.699407  
1 1 1 -24 8  6  o 65.39978 0.7834212 42.79596       1.024573  42.24374       1.434606  43.37085       1.463765  -0.8606644     1.566842  
1 1 1 -24 8  7  o 30.98489 0.6498587 9.521871       0.3988804 7.823584       0.5394299 11.57077       0.5925020 -6.045231      1.299717  
1 1 1 -24 8  8  o 69.05942 1.111998  47.62891       1.532472  49.77369       2.260048  45.80350       2.085006  2.865616       2.223996  
1 1 1 -24 8  9  o 34.66165 0.7198533 11.92407       0.4969577 10.87270       0.6677184 13.22965       0.7440742 -3.397446      1.439707  
1 1 1 -24 8  10 o 130.3552 1.710163  170.2750       4.206302  169.6974       5.151700  171.4301       7.285375  -0.5014343     3.420326  
1 1 1 -24 8  11 o 37.13653 0.5853391 13.79726       0.4347478 13.80567       0.6156987 13.78889       0.6139573 0.2254868E-01  1.170678  
1 1 1 -24 8  12 o 45.68296 0.6377005 20.87914       0.5826233 20.73977       0.8200457 21.02120       0.8279181 -0.3077927     1.275401  
1 1 1 -24 8  13 o 37.21337 0.9303288 13.72492       0.6889360 15.51778       1.035906  12.30304       0.9225257 4.314518       1.860658  
1 1 1 -24 8  14 o 48.97180 0.6583631 23.99599       0.6448214 24.05029       0.9111963 23.94151       0.9126357 0.1111031      1.316726  
1 1 1 -24 8  15 o 60.17457 0.7454200 36.18986       0.8963689 35.14178       1.237362  37.34726       1.300292  -1.830395      1.490840  
1 1 1 -24 8  16 o 62.84283 0.7689434 39.28044       0.9625224 36.96844       1.292075  42.16324       1.442785  -4.127743      1.537887  
1 1 1 -24 8  17 f 78.64685 0.9066992 61.77149       1.423667  59.53309       1.944582  64.35721       2.090014  -3.060677      1.813398  
1 1 1 -24 8  18 o 89.08003 1.004557  79.27798       1.786578  76.53156       2.440724  82.44808       2.622237  -3.312080      2.009114  
1 1 1 -24 8  19 o 76.95096 0.8934479 59.27742       1.374981  58.91597       1.934252  59.64665       1.954947  -0.4738541     1.786896  
1 1 1 -24 8  20 o 24.67299 0.8675195 6.650575       0.3792036 7.548512       0.4619134 4.794576       0.6640892 5.589169       1.735039  
1 1 1 -24 8  21 o 44.05830 0.8267993 19.20348       0.6664490 18.87759       0.7922186 19.99248       1.232667  -1.246567      1.653599  
1 1 1 -24 8  22 o 12.87965 1.524990  1.675611       0.3835396 1.864047       0.5732774 1.522924       0.5160404 1.501286       3.049980  
1 1 1 -24 8  23 o 53.49947 1.042153  28.57133       1.112903  27.13008       1.516854  30.25171       1.637868  -2.910599      2.084307  
1 1 1 -24 8  24 o 23.26016 1.070770  5.413767       0.4977174 5.118113       0.6920021 5.730625       0.7163885 -1.315212      2.141539  
1 1 1 -24 8  25 o 22.43264 1.072052  4.979627       0.4776477 5.863636       0.7190623 4.281524       0.6389958 3.521467       2.144105  
1 1 1 -24 8  26 o 22.71025 0.9151065 5.239666       0.3622564 5.012008       0.7092850 5.320007       0.4213566 -0.6933746     1.830213  
1 1 1 -24 8  27 f 109.8702 1.503889  119.4195       3.040434  125.7961       5.580163  116.7272       3.625937  3.939209       3.007778  
1 1 1 -24 8  28 o 39.86089 0.6470686 15.90349       0.5157032 15.41840       0.7276759 16.39297       0.7309641 -1.222317      1.294137  
1 1 1 -24 8  29 o 21.69170 0.8783718 4.675117       0.3744316 6.012855       0.5567115 3.570121       0.5059704 5.627491       1.756744  
1 1 1 -24 8  30 o 23.82190 0.6634166 5.677567       0.3158105 5.732935       0.4570635 5.626984       0.4368678 0.2214336      1.326833  
1 1 1 -24 8  31 o 50.68645 0.7043388 25.58081       0.7119161 23.92227       0.9629515 27.58007       1.057245  -3.603207      1.408678  
1 1 1 -24 8  32 o 53.80759 0.7267500 28.97959       0.7819055 29.34937       1.120604  28.62875       1.091532  0.6679039      1.453500  
1 1 1 -24 8  33 o 6.198098 1.495850  0.3307521      0.2301970 0.5076117      0.3328828 0.1686653      0.3186771 1.784324       2.991701  
1 1 1 -24 8  34 f 67.78320 0.8369192 45.69945       1.128816  49.20759       1.703915  42.95551       1.506944  4.596840       1.673838  
1 1 1 -24 8  35 o 36.19975 0.6532069 13.12263       0.4727421 12.69683       0.6680402 13.54976       0.6690776 -1.178020      1.306414  
1 1 1 -24 8  36 o 13.35166 0.9690579 1.781321       0.2577752 2.015748       0.3758512 1.573114       0.3542090 1.655422       1.938116  
1 1 1 -24 8  37 o 44.60708 0.6909981 19.90221       0.6160767 19.03531       0.8550375 20.83819       0.8884509 -2.018387      1.381996  
1 1 1 -24 8  38 o 43.21865 0.6953070 18.53720       0.5982627 16.66392       0.8034124 20.86889       0.8963369 -4.857471      1.390614  
1 1 1 -24 8  39 o 9.546312 1.402442  0.9450030      0.2681733 1.458747       0.3897144 0.4829383      0.3695937 5.009910       2.804885  
1 1 1 -24 8  40 f 46.01109 1.067394  21.17159       0.9802353 19.61369       1.339817  22.96592       1.437898  -3.629566      2.134789  
1 1 1 -24 8  41 o 38.17693 0.6975886 14.49704       0.5304748 15.78729       0.7951660 13.46228       0.7120983 3.037300       1.395177  
1 1 1 -24 8  42 o 31.52439 0.7059514 9.958789       0.4449129 9.889539       0.6371106 10.02470       0.6215804 -0.2158833     1.411903  
1 1 1 -24 8  43 o 53.99762 0.7664120 29.13040       0.8259322 30.67958       1.217488  27.80960       1.124174  2.647247       1.532824  
1 1 1 -24 8  44 o 33.21807 0.7226904 11.05406       0.4798783 11.18375       0.6915101 10.93359       0.6664823 0.3738899      1.445381  
1 1 1 -24 8  45 f 51.13031 0.7597909 26.20943       0.7769508 25.97361       1.096003  26.44765       1.101567  -0.4628983     1.519582  
1 1 1 -24 8  46 o 23.71062 0.8089316 5.636637       0.3834540 5.751428       0.5518144 5.529445       0.5332342 0.4655170      1.617863  
1 1 1 -24 8  47 o 28.78118 0.7669300 8.297027       0.4410762 8.797411       0.6356253 7.832290       0.6125655 1.673534       1.533860  
1 1 1 -24 8  48 o 32.64727 0.7521915 10.59584       0.4889027 12.02756       0.7296810 9.429481       0.6585960 3.969412       1.504383  
1 1 1 -24 8  49 o 10.14676 1.649296  1.084353       0.3277108 1.126050       0.4739730 1.046163       0.4536040 0.3727808      3.298592  
1 1 1 -24 8  50 o 24.33317 0.9305977 6.028476       0.4468314 5.241767       0.6578063 6.702461       0.6088585 -3.010460      1.861195  
1 1 1 -24 8  51 o 26.84288 1.033107  7.275109       0.5527354 6.913373       0.8025877 7.601471       0.7623364 -1.290878      2.066214  
1 1 1 -24 8  52 f 52.00484 1.088343  27.10572       1.128640  29.07359       1.676809  25.47571       1.526091  3.423012       2.176686  
1 1 1 -24 8  53 o 13.20017 1.880362  1.854764       0.4852782 1.279786       0.6901026 2.417199       0.6825342 -4.447601      3.760724  
1 1 1 -24 8  54 o 44.91425 1.074158  20.33334       0.9642211 20.47676       1.392076  20.20107       1.336830  0.2919579      2.148317  
1 1 1 -24 8  55 o 22.58266 1.784591  0.000000       0.000000  ?              ?         5.155826       0.8060160 ?              ?         
1 1 1 -24 9  1  f 64.52235 1.151108  41.71007       1.485243  41.49596       2.081120  41.93233       2.120330  -0.3357620     2.302217  
1 1 1 -24 9  2  o 53.63703 1.043089  28.75046       1.117649  30.23006       1.628958  27.43441       1.536297  2.601070       2.086179  
1 1 1 -24 9  3  o 79.90392 1.332741  63.98091       2.129231  65.20253       3.055637  62.82787       2.968623  1.480042       2.665482  
1 1 1 -24 9  4  o 57.31959 1.536622  0.000000       0.000000  ?              ?         32.91022       1.761571  ?              ?         
1 1 1 -24 9  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 9  6  o 55.54597 0.9260743 30.77456       1.026306  29.30614       1.393459  32.51548       1.517262  -2.883335      1.852149  
1 1 1 -24 9  7  o 18.82640 0.5737899 3.595362       0.2127832 4.190658       0.2955744 2.954959       0.3065683 3.282124       1.147580  
1 1 1 -24 9  8  o 69.07236 0.8151188 47.32111       1.119247  51.62187       1.700601  44.03463       1.486603  5.483887       1.630238  
1 1 1 -24 9  9  o 41.89968 0.6098807 17.50071       0.5099854 16.61144       0.6940347 18.54442       0.7518913 -2.304993      1.219761  
1 1 1 -24 9  10 o 31.88432 0.5648410 10.15614       0.3599044 10.53206       0.5218704 9.815182       0.4970031 1.123526       1.129682  
1 1 1 -24 9  11 o 47.56915 0.6448095 22.63985       0.6134463 22.46692       0.8640673 22.81559       0.8710631 -0.3662758     1.289619  
1 1 1 -24 9  12 o 88.00055 0.9899943 77.02257       1.733600  82.56702       2.615510  72.67815       2.315223  5.604424       1.979989  
1 1 1 -24 9  13 o 53.32247 0.6888216 28.38015       0.7334719 29.72147       1.074237  27.20871       1.003903  2.353855       1.377643  
1 1 1 -24 9  14 o 71.30141 1.229302  50.58475       1.745232  54.72752       2.623706  47.29704       2.337307  5.193512       2.458604  
1 1 1 -24 9  15 o 13.58789 0.7276618 1.852165       0.1920320 2.480417       0.2818468 1.307830       0.2623488 4.314146       1.455324  
1 1 1 -24 9  16 o 47.04209 0.6502391 22.03453       0.6101719 23.70891       0.9034388 20.63017       0.8273938 3.269871       1.300478  
1 1 1 -24 9  17 o 49.38906 0.6721345 24.27088       0.6617196 26.10818       0.9861887 22.76627       0.8924437 3.380047       1.344269  
1 1 1 -24 9  18 o 65.32137 0.7939991 42.68559       1.036924  43.51334       1.491148  41.91053       1.442907  1.224884       1.587998  
1 1 1 -24 9  19 o 74.05571 0.8692640 54.53074       1.281314  58.62496       1.930297  51.30577       1.713174  4.931725       1.738528  
1 1 1 -24 9  20 f 53.46180 0.7000989 28.58992       0.7483587 29.13318       1.074104  28.07742       1.043248  0.9862442      1.400198  
1 1 1 -24 9  21 f 54.81115 0.7141616 29.76058       0.7779915 32.80418       1.183935  27.44750       1.032116  4.880596       1.428323  
1 1 1 -24 9  22 o 104.5000 1.153672  109.3128       2.409093  106.7921       3.324952  112.0984       3.495378  -2.528076      2.307345  
1 1 1 -24 9  23 o 58.53060 0.7442154 34.27966       0.8710437 33.80756       1.218374  34.77322       1.245766  -0.8237610     1.488431  
1 1 1 -24 9  24 o 22.14004 0.6407354 4.908788       0.2834436 4.669073       0.4014441 5.147089       0.4002581 -1.079571      1.281471  
1 1 1 -24 9  25 o 53.26054 0.7091364 28.38386       0.7552616 27.91378       1.056817  28.87457       1.079755  -0.9009476     1.418273  
1 1 1 -24 9  26 o 86.89201 0.9921386 75.63280       1.724007  76.37875       2.459323  74.91203       2.417444  0.8411865      1.984277  
1 1 1 -24 9  27 o 17.70294 1.714951  3.025037       0.3532372 2.982188       0.3715554 3.427723       1.139047  -0.8876820     3.429903  
1 1 1 -24 9  28 o 66.42903 1.019868  44.89296       1.287840  46.51002       1.606439  41.98447       2.154438  3.444717       2.039736  
1 1 1 -24 9  29 o 62.75189 1.054787  39.37120       1.290600  39.04147       1.647500  39.89495       2.076399  -0.6477356     2.109575  
1 1 1 -24 9  30 o 21.40454 1.177853  4.600359       0.5034596 4.492077       0.7272099 4.700032       0.6977051 -0.4884644     2.355705  
1 1 1 -24 9  31 o 65.91620 1.195043  43.40377       1.571171  41.11744       2.128142  46.14303       2.329418  -3.792313      2.390086  
1 1 1 -24 9  32 o 32.95016 1.015090  10.88882       0.6685036 10.74166       0.9592223 11.02779       0.9321716 -0.4365463     2.030181  
1 1 1 -24 9  33 o 7.224952 1.983029  0.3184017      0.4084317 0.4429031      0.6156303 0.2205204      0.5458620 1.036777       3.966058  
1 1 1 -24 9  34 o 34.40486 1.037982  11.87075       0.7137878 11.92316       1.028783  11.82210       0.9911645 0.1430130      2.075964  
1 1 1 -24 9  35 f 33.13474 1.061748  11.02747       0.7026794 10.72884       1.011536  11.30597       0.9768490 -0.8747139     2.123495  
1 1 1 -24 9  36 o 59.40983 1.147261  35.43645       1.363102  35.24205       1.934033  35.62833       1.921463  -0.3266258     2.294521  
1 1 1 -24 9  37 o 11.58361 1.755809  1.109400       0.3820773 2.247942       0.7371550 0.6911770      0.4467745 6.675089       3.511617  
1 1 1 -24 9  38 o 34.74110 0.9642223 12.08727       0.6367831 12.17083       1.086281  12.04352       0.7859937 0.1493073      1.928445  
1 1 1 -24 9  39 o 23.55225 1.119234  6.166046       0.4438142 4.433560       0.8403022 6.836298       0.5226603 -5.141699      2.238468  
1 1 1 -24 9  40 o 65.30330 1.232048  42.51742       1.600022  46.33128       2.425447  39.57894       2.128976  5.121475       2.464097  
1 1 1 -24 9  41 o 28.61423 0.9850932 8.250996       0.4916841 8.151171       0.9692864 8.285582       0.5705378 -0.2864857     1.970186  
1 1 1 -24 9  42 o 15.82233 1.372715  2.230831       0.3792486 3.147666       0.8029826 1.967596       0.4302613 3.656507       2.745429  
1 1 1 -24 9  43 o 82.04268 1.224901  67.11787       1.859590  69.33795       3.362451  66.13965       2.231998  1.749863       2.449802  
1 1 1 -24 9  44 o 56.42180 1.006047  32.30656       1.056693  31.04833       1.855868  32.91015       1.285397  -1.735611      2.012095  
1 1 1 -24 9  45 o 59.24020 1.030395  34.55965       1.109095  36.97704       2.087959  33.60946       1.309044  2.709278       2.060790  
1 1 1 -24 9  46 o 39.97742 0.9488419 15.58555       0.6836199 17.13532       1.312801  15.00895       0.8007552 2.575188       1.897684  
1 1 1 -24 9  47 o 37.81753 0.9701680 13.88910       0.6569257 15.45087       1.278391  13.32872       0.7657649 2.718864       1.940336  
1 1 1 -24 9  48 o 17.59735 1.776113  2.689355       0.4674214 3.894130       1.234083  2.487572       0.5050502 3.757915       3.552225  
1 1 1 -24 9  49 o 61.72849 1.471128  37.55019       1.498708  40.39953       3.262664  36.78819       1.687251  2.480976       2.942255  
1 1 1 -24 9  50 o 41.23101 1.681510  0.000000       0.000000  ?              ?         17.14309       1.386608  ?              ?         
1 1 1 -24 9  51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 9  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 9  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 9  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 9  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 10 1  f 11.80572 2.699413  0.000000       0.000000  ?              ?         1.457413       0.6237807 ?              ?         
1 1 1 -24 10 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 10 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 10 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 10 5  o 64.50697 1.623329  41.69334       2.094321  41.69334       2.094321  ?              ?         ?              ?         
1 1 1 -24 10 6  o 46.99795 0.9983304 22.12189       0.9382828 22.21341       1.318601  22.02803       1.335423  0.1980934      1.996661  
1 1 1 -24 10 7  o 45.82161 0.9887202 20.82205       0.9006827 19.23604       1.196455  22.89632       1.368284  -3.985237      1.977440  
1 1 1 -24 10 8  o 60.93720 0.7421975 37.02064       0.9021273 35.31980       1.222584  39.05361       1.336632  -3.059288      1.484395  
1 1 1 -24 10 9  o 67.21300 0.7985922 45.13906       1.072252  46.78680       1.563324  43.67535       1.473450  2.310928       1.597184  
1 1 1 -24 10 10 o 34.92173 0.5666232 12.18862       0.3955490 11.74723       0.5495049 12.66326       0.5698299 -1.310963      1.133246  
1 1 1 -24 10 11 o 45.38303 0.6301041 20.59942       0.5717912 21.02396       0.8193030 20.19630       0.7983729 0.9111824      1.260208  
1 1 1 -24 10 12 o 58.12014 0.7275321 33.76791       0.8450684 34.76174       1.223996  32.86267       1.168172  1.631657       1.455064  
1 1 1 -24 10 13 o 44.40075 0.6293863 19.64654       0.5576957 20.97698       0.8222196 18.51290       0.7589734 2.772751       1.258773  
1 1 1 -24 10 14 o 37.44441 0.5933151 13.96825       0.4433602 15.02569       0.6531838 13.06483       0.6037427 2.616837       1.186630  
1 1 1 -24 10 15 o 79.50201 1.334665  63.22847       2.118964  65.94276       3.102544  60.85546       2.900939  3.185295       2.669330  
1 1 1 -24 10 16 o 43.94221 0.6341060 19.21889       0.5557603 20.81184       0.8232889 17.88530       0.7532946 3.327633       1.268212  
1 1 1 -24 10 17 o 59.43764 0.7449442 35.33458       0.8851144 34.65137       1.228511  36.07202       1.276341  -1.193165      1.489888  
1 1 1 -24 10 18 o 70.22338 0.8371899 48.89531       1.167999  53.37241       1.780990  45.51657       1.547179  5.582840       1.674380  
1 1 1 -24 10 19 o 65.21650 0.7930592 42.57304       1.034406  42.68159       1.465743  42.46532       1.460015  0.1655579      1.586118  
1 1 1 -24 10 20 o 60.66008 0.7588418 36.38625       0.9135722 40.40210       1.402042  33.42307       1.204348  5.744205       1.517684  
1 1 1 -24 10 21 o 43.48529 0.6387410 18.85034       0.5543832 17.78705       0.7552751 20.09243       0.8163097 -2.648525      1.277482  
1 1 1 -24 10 22 o 85.25903 0.9734485 72.80400       1.659864  73.16652       2.357623  72.44772       2.337312  0.4203720      1.946897  
1 1 1 -24 10 23 o 48.98872 0.6772766 23.97731       0.6628751 24.89608       0.9650183 23.15652       0.9121115 1.773235       1.354553  
1 1 1 -24 10 24 o 70.15517 0.8413865 49.22797       1.179668  50.66146       1.709139  47.92372       1.630260  1.946793       1.682773  
1 1 1 -24 10 25 o 22.12229 0.7293866 4.901227       0.3225646 4.996371       0.4523194 4.802767       0.4601314 0.4379730      1.458773  
1 1 1 -24 10 26 o 29.81398 0.6214624 8.889230       0.3703474 9.070688       0.5348704 8.722115       0.5132962 0.5836411      1.242925  
1 1 1 -24 10 27 f 62.13361 0.7827785 38.40003       0.9687553 35.97734       1.300079  41.42466       1.452635  -4.375145      1.565557  
1 1 1 -24 10 28 f 35.09814 0.6293926 12.32240       0.4416785 11.93369       0.6170474 12.73081       0.6324944 -1.134830      1.258785  
1 1 1 -24 10 29 o 34.76335 0.6316143 12.09578       0.4390459 11.76346       0.6187714 12.43273       0.6230602 -0.9623985     1.263229  
1 1 1 -24 10 30 o 50.01475 0.6998360 25.01800       0.6996834 24.14513       0.9715282 25.95858       1.008511  -1.810753      1.399672  
1 1 1 -24 10 31 o 47.53087 0.6868917 22.61621       0.6528916 22.73051       0.9315998 22.50588       0.9152733 0.2353249      1.373783  
1 1 1 -24 10 32 o 29.18150 0.6504384 8.529133       0.3794255 8.274109       0.5389667 8.779703       0.5342418 -0.8665752     1.300877  
1 1 1 -24 10 33 o 76.22351 0.9094374 58.23355       1.386372  57.89262       1.951818  58.58071       1.969556  -0.4497528     1.818875  
1 1 1 -24 10 34 o 67.17410 0.8346538 45.19744       1.121080  44.34406       1.564894  46.09718       1.606830  -1.301262      1.669308  
1 1 1 -24 10 35 o 33.13903 0.6618402 10.98133       0.4383227 11.39280       0.6351333 10.60713       0.6056789 1.183334       1.323680  
1 1 1 -24 10 36 o 32.63644 0.6664931 10.64374       0.4341624 11.00628       0.6384518 10.33187       0.5921553 1.029747       1.332986  
1 1 1 -24 10 37 o 27.42945 0.6901068 7.532968       0.3784011 7.620937       0.5449712 7.451072       0.5258222 0.3080730      1.380214  
1 1 1 -24 10 38 o 7.571863 1.418694  0.5290148      0.2477266 1.033862       0.3694099 0.1164490      0.3339450 4.798114       2.837388  
1 1 1 -24 10 39 o 49.69987 0.7347575 24.70390       0.7294317 25.65868       1.064605  23.85906       1.001435  1.804344       1.469515  
1 1 1 -24 10 40 o 15.89056 1.736893  2.625945       0.5293187 2.117732       0.7572227 3.111574       0.7402068 -3.348629      3.473785  
1 1 1 -24 10 41 o 62.21179 0.8184929 38.59630       1.014717  41.21969       1.515664  36.46536       1.366025  3.803886       1.636986  
1 1 1 -24 10 42 o 50.28202 0.7491371 25.33408       0.7531730 25.65243       1.079715  25.03235       1.051154  0.6134720      1.498274  
1 1 1 -24 10 43 o 19.90293 0.8781278 3.976059       0.3491892 3.931124       0.5037469 4.017622       0.4844731 -0.2198429     1.756256  
1 1 1 -24 10 44 o 45.31765 0.7486125 20.59530       0.6783260 20.34018       0.9667104 20.84275       0.9520531 -0.5563087     1.497225  
1 1 1 -24 10 45 o 66.53186 0.8657368 44.26477       1.149156  46.73113       1.699356  42.18663       1.559890  3.394066       1.731474  
1 1 1 -24 10 46 o 22.73220 0.8619216 5.160597       0.3907582 5.719398       0.5746645 4.680024       0.5329242 2.279770       1.723843  
1 1 1 -24 10 47 o 7.885302 1.804140  0.5796508      0.3293565 0.8337963      0.4999955 0.3848470      0.4377474 2.164949       3.608281  
1 1 1 -24 10 48 o 46.78533 0.8798020 21.98229       0.8231843 21.91427       1.156892  22.05205       1.171564  -0.1447029     1.759604  
1 1 1 -24 10 49 o 16.55481 1.381532  2.776955       0.4532793 3.263457       0.6504315 2.317589       0.6320319 2.851651       2.763065  
1 1 1 -24 10 50 f 29.99049 1.040831  8.998668       0.6221602 10.06341       0.9200155 8.101428       0.8445548 3.253450       2.081662  
1 1 1 -24 10 51 o 25.22643 1.076132  6.396150       0.5417749 7.015203       0.7845870 5.831950       0.7490206 2.336775       2.152265  
1 1 1 -24 10 52 o 40.63998 1.030172  16.62911       0.8370243 16.01810       1.174794  17.25906       1.192876  -1.522385      2.060344  
1 1 1 -24 10 53 o 23.95587 1.153279  5.798445       0.5508562 6.380216       0.7850977 5.234322       0.7730976 2.388193       2.306557  
1 1 1 -24 10 54 o 23.94760 2.531437  0.000000       0.000000  ?              ?         5.862476       1.212437  ?              ?         
1 1 1 -24 11 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 11 2  o 38.50017 1.374370  14.84549       1.058269  14.84549       1.058269  ?              ?         ?              ?         
1 1 1 -24 11 3  o 87.22029 1.435596  75.63892       2.486723  70.90148       3.290426  81.94834       3.797299  -6.291595      2.871192  
1 1 1 -24 11 4  o 77.06613 1.309110  59.55249       2.017680  59.59484       2.841284  59.50941       2.865735  0.5720520E-01  2.618220  
1 1 1 -24 11 5  o 20.40929 1.141817  4.163793       0.4653864 3.994784       0.6373240 4.356858       0.6811736 -0.8842735     2.283634  
1 1 1 -24 11 6  o 99.19936 1.589997  98.65929       3.151768  101.8268       4.575723  95.79974       4.347571  3.018021       3.179993  
1 1 1 -24 11 7  o 61.04456 1.130370  37.28049       1.378937  38.81902       1.999560  35.88527       1.904158  2.397083       2.260739  
1 1 1 -24 11 8  o 36.97388 0.9775082 13.64859       0.7216995 14.67611       1.053384  12.73959       0.9907662 2.615452       1.955016  
1 1 1 -24 11 9  o 65.01646 1.006066  41.63049       1.181722  40.72444       1.390889  43.98185       2.240651  -2.459599      2.012133  
1 1 1 -24 11 10 o 97.30611 1.081245  94.33209       2.095353  89.51913       2.811610  100.3444       3.142471  -5.543121      2.162489  
1 1 1 -24 11 11 o 104.8745 1.153281  110.0411       2.415929  107.0421       3.317878  113.4258       3.524781  -3.030556      2.306561  
1 1 1 -24 11 12 o 56.18347 0.7152484 31.05494       0.7949427 28.15344       1.035150  35.22588       1.241108  -6.286057      1.430497  
1 1 1 -24 11 13 f 22.96255 0.5717474 5.278125       0.2615586 4.685070       0.3654731 5.900809       0.3744912 -2.646942      1.143495  
1 1 1 -24 11 14 o 61.11059 0.7567576 36.95582       0.9179242 40.77001       1.407607  34.13367       1.210793  5.421627       1.513515  
1 1 1 -24 11 15 o 82.87187 0.9476948 68.77125       1.570691  68.52128       2.210652  69.02610       2.232090  -0.3034592     1.895390  
1 1 1 -24 11 16 o 49.57595 0.7983584 24.58822       0.7913020 24.09390       1.101120  25.11613       1.137927  -1.029343      1.596717  
1 1 1 -24 11 17 o 82.28513 0.9445058 67.31619       1.546078  63.36521       2.061547  72.39478       2.337290  -5.472084      1.889012  
1 1 1 -24 11 18 o 74.93707 0.8778230 56.21648       1.315439  55.69953       1.841633  56.75495       1.879569  -0.7022858     1.755646  
1 1 1 -24 11 19 o 17.18750 0.6798918 2.952047       0.2289046 2.204891       0.3124417 3.817743       0.3363150 -4.690991      1.359784  
1 1 1 -24 11 20 o 9.222473 1.039776  0.8680768      0.1836158 1.098987       0.2667880 0.6602594      0.2530965 2.506814       2.079552  
1 1 1 -24 11 21 o 39.64966 0.6282822 15.58175       0.4956993 17.32433       0.7479644 14.21695       0.6619406 3.915058       1.256564  
1 1 1 -24 11 22 o 55.68244 0.7248014 30.98873       0.8063670 32.07813       1.172864  30.01220       1.110445  1.852028       1.449603  
1 1 1 -24 11 23 f 50.00831 0.9091046 25.00936       0.9083862 24.16305       1.251591  25.95140       1.320480  -1.783665      1.818209  
1 1 1 -24 11 24 f 97.89819 1.095264  95.91673       2.141884  93.15910       2.942783  99.02335       3.123446  -2.981186      2.190529  
1 1 1 -24 11 25 o 70.37096 0.8484071 49.58971       1.194039  49.87082       1.695414  49.31306       1.681919  0.3954926      1.696814  
1 1 1 -24 11 26 f 13.29513 0.8768939 1.802544       0.2260292 1.287459       0.3177937 2.329867       0.3215466 -3.920032      1.753788  
1 1 1 -24 11 27 o 39.56937 0.6404612 15.65520       0.5065693 14.99662       0.7042311 16.36134       0.7292162 -1.723213      1.280922  
1 1 1 -24 11 28 o 49.06524 0.6945879 23.82170       0.6773115 21.62200       0.8986551 26.71454       1.030563  -5.182026      1.389176  
1 1 1 -24 11 29 o 21.24362 0.6924568 4.494884       0.2933155 5.006218       0.4313369 4.055040       0.4000494 2.236897       1.384914  
1 1 1 -24 11 30 o 107.5541 1.194348  116.0935       2.569113  116.5628       3.643552  115.6294       3.623083  0.4317551      2.388696  
1 1 1 -24 11 31 o 30.10294 0.6528280 9.076696       0.3928468 8.866549       0.5599337 9.280418       0.5513056 -0.6879635     1.305656  
1 1 1 -24 11 32 f 87.19013 1.005203  76.22622       1.752597  75.34668       2.452154  77.14466       2.505810  -1.025558      2.010406  
1 1 1 -24 11 33 o 23.54983 0.6967286 5.561659       0.3276973 5.326227       0.4689296 5.786370       0.4581272 -0.9777451     1.393457  
1 1 1 -24 11 34 f 40.25571 0.6712124 16.20552       0.5399573 15.34036       0.7494212 17.13947       0.7786471 -2.232487      1.342425  
1 1 1 -24 11 35 f 16.65903 0.8405254 2.789635       0.2783466 2.420106       0.3913423 3.167976       0.3959818 -2.244201      1.681051  
1 1 1 -24 11 36 f 15.94966 0.8846081 2.570321       0.2799570 2.325223       0.4090022 2.786387       0.3840160 -1.448311      1.769216  
1 1 1 -24 11 37 o 36.62844 0.6784109 13.43013       0.4965603 12.67039       0.6935758 14.22906       0.7112420 -2.126160      1.356822  
1 1 1 -24 11 38 o 26.09339 0.7134334 6.786910       0.3713455 7.451094       0.5472187 6.219972       0.5055737 2.355129       1.426867  
1 1 1 -24 11 39 o 63.80239 0.8255666 40.78628       1.053060  39.81000       1.464729  41.83079       1.515049  -1.577984      1.651133  
1 1 1 -24 11 40 o 93.93508 1.572498  89.09341       2.954045  89.95242       4.208519  88.25915       4.147450  0.8878326      3.144997  
1 1 1 -24 11 41 o 44.61903 0.7190681 19.93799       0.6413870 20.36621       0.9242813 19.54027       0.8907633 0.9220314      1.438136  
1 1 1 -24 11 42 o 30.23064 0.7301762 9.076975       0.4394743 10.16299       0.6592317 8.208261       0.5896022 3.225405       1.460352  
1 1 1 -24 11 43 o 46.13563 0.7349955 21.31616       0.6776358 21.85984       0.9825409 20.82297       0.9358097 1.118088       1.469991  
1 1 1 -24 11 44 o 36.91483 0.7239174 13.66523       0.5338140 13.60415       0.7733510 13.72081       0.7377597 -0.1625214     1.447835  
1 1 1 -24 11 45 o 16.23773 1.025348  2.644993       0.3318598 2.963758       0.4806408 2.354585       0.4587645 1.871846       2.050697  
1 1 1 -24 11 46 o 6.151293 1.696836  0.2333097      0.3038353 0.8709537E-01  0.4727569 0.3362033      0.3965857 -0.5472202     3.393672  
1 1 1 -24 11 47 o 11.59952 1.581960  1.414052       0.3512021 1.271123       0.5510875 1.511800       0.4557369 -1.275328      3.163919  
1 1 1 -24 11 48 o 29.71322 0.9953099 8.875995       0.5913954 9.042132       0.8446708 8.716239       0.8282884 0.5451241      1.990620  
1 1 1 -24 11 49 o 36.85783 0.9807660 13.66486       0.7225301 13.72652       1.041334  13.60762       1.003348  0.1530266      1.961532  
1 1 1 -24 11 50 f 42.79464 1.306083  18.33096       1.011829  18.92944       1.899305  18.09380       1.195618  0.7780037      2.612167  
1 1 1 -24 11 51 o 15.43529 1.853461  2.779679       0.5086448 1.547822       0.8091383 3.584520       0.6540303 -6.809795      3.706921  
1 1 1 -24 11 52 o 6.532259 1.935270  -0.4822752     0.4581617 0.6686558      0.7770700 -1.095575      0.5672464 4.772741       3.870540  
1 1 1 -24 11 53 f 19.48699 1.494491  3.924935       0.5664070 3.517303       0.8842118 4.208603       0.7376121 -1.826372      2.988982  
1 1 1 -24 11 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 12 1  o 57.58508 1.113257  33.16468       1.280662  34.96945       1.865113  31.55471       1.761578  2.957043       2.226514  
1 1 1 -24 12 2  f 86.15956 1.430678  74.30360       2.459304  71.61752       3.341006  77.48026       3.633315  -3.374519      2.861356  
1 1 1 -24 12 3  o 24.49754 1.090696  5.927289       0.5305104 5.200372       0.7032510 6.887234       0.8081489 -3.435591      2.181393  
1 1 1 -24 12 4  f 136.2571 2.102893  186.3985       5.712568  178.7864       7.719995  195.6109       8.492764  -6.072845      4.205786  
1 1 1 -24 12 5  o 138.4823 2.135607  193.2561       5.914533  194.7952       8.419970  191.7569       8.309941  1.082764       4.271214  
1 1 1 -24 12 6  o 94.81564 1.538531  90.25650       2.917368  90.09921       4.102270  90.41747       4.149702  -0.1635056     3.077061  
1 1 1 -24 12 7  o 129.1959 2.005866  167.9933       5.182211  170.1561       7.407762  165.9204       7.252220  1.620926       4.011733  
1 1 1 -24 12 8  f 120.3782 1.882031  145.7251       4.530494  147.4582       6.472503  144.0602       6.343613  1.397270       3.764063  
1 1 1 -24 12 9  o 78.87609 1.336387  62.38973       2.107835  62.04696       2.950914  62.74681       3.011879  -0.4389191     2.672775  
1 1 1 -24 12 10 o 85.70271 1.423077  73.66308       2.438268  72.69949       3.392416  74.69280       3.506896  -1.153503      2.846155  
1 1 1 -24 12 11 o 51.05161 0.6725832 26.08003       0.6867023 25.85425       0.9659969 26.31069       0.9763736 -0.4466400     1.345166  
1 1 1 -24 12 12 f 40.56796 0.6095152 16.40798       0.4935634 15.51230       0.6728218 17.45154       0.7262435 -2.388214      1.219030  
1 1 1 -24 12 13 o 40.96056 0.6110222 16.76953       0.5002785 16.17459       0.6940461 17.41295       0.7217692 -1.510658      1.222044  
1 1 1 -24 12 14 o 40.12635 0.6111155 15.96691       0.4880272 17.62669       0.7359347 14.66410       0.6520103 3.688538       1.222231  
1 1 1 -24 12 15 o 63.52840 0.7785501 40.27757       0.9871797 42.26926       1.453870  38.57380       1.344681  2.903370       1.557100  
1 1 1 -24 12 16 o 75.02808 0.8804834 56.17546       1.317927  53.78983       1.788870  59.00754       1.949080  -3.468452      1.760967  
1 1 1 -24 12 17 o 91.36233 1.030292  83.57740       1.881731  85.30482       2.711524  81.97259       2.613521  1.817200       2.060583  
1 1 1 -24 12 18 o 66.97144 0.8129627 44.44350       1.081216  41.22829       1.429404  48.74321       1.652990  -5.598541      1.625925  
1 1 1 -24 12 19 o 61.58648 0.7715316 37.95654       0.9500741 37.28784       1.325344  38.66341       1.362648  -1.114822      1.543063  
1 1 1 -24 12 20 f 37.33963 0.7911299 13.85660       0.5885394 12.44983       0.7956836 15.55599       0.8745338 -4.154972      1.582260  
1 1 1 -24 12 21 f 32.65598 0.6177811 10.54507       0.4009872 11.91597       0.6091903 9.497025       0.5326490 3.700350       1.235562  
1 1 1 -24 12 22 o 48.74786 0.6861781 23.73865       0.6681506 24.70201       0.9753190 22.88673       0.9171745 1.859108       1.372356  
1 1 1 -24 12 23 o 134.7161 1.456287  182.1294       3.921465  185.8152       5.661808  178.7309       5.436621  2.606094       2.912574  
1 1 1 -24 12 24 o 46.41663 0.6753538 21.52843       0.6260956 22.24561       0.9147050 20.89622       0.8588023 1.450764       1.350708  
1 1 1 -24 12 25 o 87.71915 1.002406  77.07412       1.757791  78.50368       2.532636  75.74544       2.441645  1.565033       2.004812  
1 1 1 -24 12 26 o 27.94846 0.7104077 7.874838       0.3861922 7.579288       0.6171667 8.065042       0.4951032 -0.8760605     1.420815  
1 1 1 -24 12 27 o 64.24986 0.8017081 41.23014       1.028379  39.50659       1.404329  43.22315       1.510122  -2.885098      1.603416  
1 1 1 -24 12 28 o 29.44308 0.6378583 8.677411       0.3755775 8.702061       0.5350285 8.653465       0.5273486 0.8209419E-01  1.275717  
1 1 1 -24 12 29 o 86.16477 0.9940215 74.37444       1.711897  72.77585       2.370262  76.11758       2.475115  -1.929428      1.988043  
1 1 1 -24 12 30 o 44.96121 0.6793789 20.18714       0.6100352 21.29306       0.8922561 19.21643       0.8359356 2.305542       1.358758  
1 1 1 -24 12 31 o 31.33705 0.6496312 9.757615       0.4047948 8.403380       0.5488247 11.37322       0.5994524 -4.735134      1.299262  
1 1 1 -24 12 32 o 54.49132 0.7418006 29.67295       0.8073850 28.40004       1.107886  31.11468       1.179065  -2.485317      1.483601  
1 1 1 -24 12 33 f 64.46436 0.8149205 41.63660       1.050593  41.13491       1.475297  42.15277       1.496453  -0.7875824     1.629841  
1 1 1 -24 12 34 o 37.84071 0.6689348 14.30586       0.5055143 13.29532       0.6974295 15.42443       0.7337639 -2.810448      1.337870  
1 1 1 -24 12 35 o 33.74890 0.6622066 11.39764       0.4467171 11.67262       0.6452219 11.14448       0.6190946 0.7803535      1.324413  
1 1 1 -24 12 36 o 26.87244 0.6894038 7.230735       0.3698035 6.634166       0.5163285 7.859074       0.5298978 -2.277922      1.378808  
1 1 1 -24 12 37 f 24.11776 0.7272522 5.798841       0.3498780 6.371094       0.5153783 5.309650       0.4765088 2.196766       1.454504  
1 1 1 -24 12 38 o 73.67389 0.9028314 54.16756       1.325723  51.22748       1.786713  57.76898       1.977479  -4.416023      1.805663  
1 1 1 -24 12 39 o 58.37940 0.7932549 34.06470       0.9243510 35.75132       1.360638  32.61914       1.259654  2.671288       1.586510  
1 1 1 -24 12 40 o 68.73131 1.292997  47.54681       1.777016  46.53423       2.483077  48.60986       2.544199  -1.498405      2.585994  
1 1 1 -24 12 41 o 49.87149 0.7624278 24.53470       0.7522642 27.62793       1.173522  22.37698       0.9801295 5.242294       1.524856  
1 1 1 -24 12 42 o 29.68234 0.8839507 8.599524       0.4933626 9.548812       0.8795994 8.163795       0.5959297 2.292150       1.767901  
1 1 1 -24 12 43 o 6.353518 1.819736  0.1870774      0.3510107 0.6283624E-01  0.5939294 0.2537644      0.4351336 0.1861587      3.639473  
1 1 1 -24 12 44 o 35.35175 0.9692655 12.47665       0.6806530 13.21133       1.035484  11.91770       0.9031966 1.807030       1.938531  
1 1 1 -24 12 45 o 27.91207 1.042314  7.975786       0.5706055 6.407608       0.8268109 9.401896       0.7884699 -5.370895      2.084627  
1 1 1 -24 12 46 o 21.01064 1.225205  4.587305       0.4970996 3.794172       0.7685087 5.157875       0.6518239 -3.272285      2.450411  
1 1 1 -24 12 47 o 30.85272 1.057837  9.700694       0.6439527 8.569311       0.9550182 10.64394       0.8720061 -3.379541      2.115674  
1 1 1 -24 12 48 o 32.35735 1.030956  10.49688       0.6609578 10.83999       1.012905  10.24245       0.8722554 0.8915939      2.061912  
1 1 1 -24 12 49 o 41.07633 1.050695  17.01949       0.8605710 15.48202       1.215546  18.56450       1.218522  -3.751453      2.101391  
1 1 1 -24 12 50 o 24.04332 1.221697  6.026910       0.5679365 4.782044       0.8592505 6.992695       0.7568302 -4.625097      2.443393  
1 1 1 -24 12 51 o 14.22116 1.905680  2.294998       0.5007965 1.495948       0.8064415 2.796561       0.6389226 -4.789806      3.811359  
1 1 1 -24 12 52 f 10.68905 2.112425  0.9943285      0.5027486 2.072032       0.8254161 0.3587140      0.6338993 6.446756       4.224850  
1 1 1 -24 12 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 13 1  o 74.98209 1.304689  56.24941       1.953094  59.13218       2.868612  53.75833       2.666620  3.564911       2.609378  
1 1 1 -24 13 2  o 19.34201 1.302226  3.764707       0.5021204 3.938255       0.6935406 3.573528       0.7279170 0.9459667      2.604451  
1 1 1 -24 13 3  o 50.43106 1.076278  25.35617       1.082318  23.76443       1.463236  27.27913       1.608283  -3.473682      2.152555  
1 1 1 -24 13 4  o 28.43740 1.068691  8.104320       0.6075067 8.078163       0.8451284 8.132287       0.8738812 -0.9300423E-01 2.137383  
1 1 1 -24 13 5  o 141.8705 2.190293  203.1522       6.213915  201.5450       8.703423  204.8233       8.874687  -1.129196      4.380586  
1 1 1 -24 13 6  o 70.41397 1.253161  49.71953       1.764549  50.71620       2.520022  48.76081       2.471581  1.384300       2.506321  
1 1 1 -24 13 7  o 83.53972 1.405321  69.87550       2.343192  67.40662       3.193092  72.75640       3.449261  -3.177284      2.810642  
1 1 1 -24 13 8  o 30.11031 1.052474  8.986412       0.6282077 10.86487       0.9391028 7.465027       0.8451464 5.638964       2.104947  
1 1 1 -24 13 9  o 74.40764 1.294665  55.45190       1.924047  53.91575       2.639892  57.19252       2.810103  -2.187050      2.589330  
1 1 1 -24 13 10 o 24.19937 1.129955  5.842546       0.5440151 6.749670       0.7972586 5.052171       0.7441874 3.503302       2.259911  
1 1 1 -24 13 11 o 23.33979 1.132910  5.458753       0.5277975 5.429067       0.7231536 5.492592       0.7720836 -0.1323528     2.265820  
1 1 1 -24 13 12 o 26.30782 0.5508759 6.798195       0.2865325 5.562572       0.3795003 8.436542       0.4369904 -5.460058      1.101752  
1 1 1 -24 13 13 o 81.95661 0.9416416 67.21089       1.542218  69.01848       2.236326  65.57166       2.129636  2.095963       1.883283  
1 1 1 -24 13 14 o 34.41476 0.5910145 11.79433       0.4056697 10.70248       0.5536773 13.05980       0.5960729 -3.423134      1.182029  
1 1 1 -24 13 15 o 112.5820 1.718963  126.8867       3.855340  134.0075       5.766124  121.1297       5.184660  5.649529       3.437925  
1 1 1 -24 13 16 o 77.34032 1.231277  59.96562       1.903937  58.86848       2.651849  61.13283       2.735235  -1.456673      2.462555  
1 1 1 -24 13 17 o 67.55685 1.229160  45.76083       1.660475  46.66430       2.374953  44.89685       2.322460  1.303589       2.458320  
1 1 1 -24 13 18 o 30.61502 0.5964065 9.383170       0.3650331 9.161915       0.5192007 9.599442       0.5133191 -0.7148075     1.192813  
1 1 1 -24 13 19 o 50.36703 0.6878279 25.32516       0.6918447 24.17895       0.9473431 26.63514       1.012762  -2.435135      1.375656  
1 1 1 -24 13 20 o 15.62871 0.7556410 2.459040       0.2346517 2.295825       0.3449485 2.599617       0.3201343 -0.9732323     1.511282  
1 1 1 -24 13 21 o 47.87620 0.6807657 22.85419       0.6503453 24.25595       0.9604962 21.66749       0.8837446 2.699429       1.361531  
1 1 1 -24 13 22 o 52.00527 0.7075104 26.97490       0.7341962 28.53510       1.084193  25.65344       0.9977995 2.765816       1.415021  
1 1 1 -24 13 23 o 100.8534 1.125982  101.9183       2.269657  104.3550       3.283311  99.68829       3.140976  2.300674       2.251964  
1 1 1 -24 13 24 o 97.46682 1.095660  95.21507       2.134918  96.93616       3.073241  93.60986       2.967971  1.696808       2.191320  
1 1 1 -24 13 25 o 100.1186 1.121055  100.4480       2.243088  102.8425       3.248690  98.26646       3.100879  2.271149       2.242110  
1 1 1 -24 13 26 f 79.77654 0.9359390 63.78196       1.493297  63.92310       2.118617  63.64260       2.105129  0.1746826      1.871878  
1 1 1 -24 13 27 o 19.85931 0.7382116 3.935080       0.2922744 4.123769       0.4345395 3.779193       0.3949654 0.8648148      1.476423  
1 1 1 -24 13 28 o 79.96140 0.9410529 64.07273       1.504602  63.01609       2.100045  65.18720       2.156744  -1.352310      1.882106  
1 1 1 -24 13 29 o 67.18681 0.8334652 45.17071       1.118827  46.55229       1.627159  43.93176       1.540886  1.942741       1.666930  
1 1 1 -24 13 30 o 17.49567 0.8215334 3.075966       0.2852102 2.992416       0.4279323 3.142740       0.3825659 -0.4335117     1.643067  
1 1 1 -24 13 31 o 7.611023 1.522506  0.5686954      0.2409091 0.7763093      0.3825978 0.4323041      0.3101042 2.007676       3.045012  
1 1 1 -24 13 32 o 31.10199 0.6728219 9.678978       0.4173277 9.795466       0.6155065 9.579859       0.5677615 0.3429775      1.345644  
1 1 1 -24 13 33 o 50.53421 0.7275406 25.57951       0.7352024 24.95954       1.034234  26.21285       1.045321  -1.239113      1.455081  
1 1 1 -24 13 34 o 54.57116 0.7532212 29.84031       0.8220009 29.30352       1.160756  30.38029       1.164221  -0.9862518     1.506442  
1 1 1 -24 13 35 o 58.90999 0.7860839 34.76966       0.9257174 35.19012       1.333204  34.37823       1.286376  0.6842957      1.572168  
1 1 1 -24 13 36 o 19.38023 0.8523772 3.694153       0.3265073 4.244974       0.5119244 3.316426       0.4239259 2.385468       1.704754  
1 1 1 -24 13 37 o 66.03355 0.8482530 43.72920       1.120132  43.47908       1.593620  43.97344       1.574761  -0.3765182     1.696506  
1 1 1 -24 13 38 o 29.55143 0.8357772 8.258685       0.4654995 10.25301       0.8420156 7.380866       0.5586299 4.825567       1.671554  
1 1 1 -24 13 39 o 49.02941 0.9865277 24.09287       0.9648938 24.70774       1.423662  23.57046       1.312266  1.143719       1.973055  
1 1 1 -24 13 40 o 62.96008 1.135679  39.79239       1.427509  40.93885       2.093176  38.79552       1.951834  1.677692       2.271359  
1 1 1 -24 13 41 f 58.72873 1.088986  34.44477       1.271872  36.84904       1.925366  32.58332       1.694137  3.589825       2.177972  
1 1 1 -24 13 42 o 19.70783 1.041237  3.903777       0.4097656 3.614049       0.5730564 4.206903       0.5861579 -1.501717      2.082474  
1 1 1 -24 13 43 o 19.25503 1.025863  3.805578       0.3860630 2.983334       0.5596169 4.552266       0.5332855 -4.078747      2.051727  
1 1 1 -24 13 44 f 51.40218 0.8436578 26.66440       0.8624638 24.45907       1.251347  28.65998       1.190354  -4.095612      1.687316  
1 1 1 -24 13 45 f 23.51131 1.026295  5.493099       0.4604623 5.780775       0.7870226 5.343374       0.5677825 0.8868752      2.052589  
1 1 1 -24 13 46 o 24.20250 1.138899  5.991747       0.5417178 5.270264       0.8139591 6.565417       0.7258060 -2.695496      2.277798  
1 1 1 -24 13 47 o 30.17898 1.032607  9.080575       0.6173289 9.778381       0.9535432 8.577060       0.8099878 1.957943       2.065215  
1 1 1 -24 13 48 o 8.264546 2.017886  0.4142729      0.4243543 1.181821       0.7172242 0.8616762E-03  0.5263727 4.716043       4.035772  
1 1 1 -24 13 49 o 30.10396 1.072513  9.153008       0.6401809 8.942492       0.9647716 9.318622       0.8557131 -0.6512928     2.145026  
1 1 1 -24 13 50 o 12.41742 2.026470  1.582176       0.4796984 1.926538       0.7997254 1.388645       0.5995269 1.989193       4.052940  
1 1 1 -24 13 51 o 25.44545 1.179453  6.397392       0.5891531 7.258776       0.9480388 5.855431       0.7519901 2.700157       2.358906  
1 1 1 -24 13 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 14 1  o 31.13037 1.106785  9.727934       0.6883672 10.10445       0.9655110 9.338692       0.9816871 1.231354       2.213570  
1 1 1 -24 14 2  o 81.79901 1.401913  66.84774       2.286095  71.53687       3.404554  62.99740       3.085059  5.185066       2.803826  
1 1 1 -24 14 3  o 47.56590 2.102450  0.000000       0.000000  ?              ?         22.73131       2.000098  ?              ?         
1 1 1 -24 14 4  o 63.85815 2.399045  0.000000       0.000000  ?              ?         41.02126       3.063971  ?              ?         
1 1 1 -24 14 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 14 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 14 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 14 8  o 39.24200 1.988298  0.000000       0.000000  ?              ?         15.45977       1.560496  ?              ?         
1 1 1 -24 14 9  o 35.89514 1.053289  12.80351       0.7529240 11.63723       1.011132  14.25504       1.128023  -3.637829      2.106578  
1 1 1 -24 14 10 f 33.62380 1.059322  11.32036       0.7117697 11.99645       1.022185  10.68401       0.9916956 1.949390       2.118645  
1 1 1 -24 14 11 o 21.22285 1.303323  4.478522       0.5350538 3.072883       0.7172462 6.242244       0.8034267 -7.459209      2.606646  
1 1 1 -24 14 12 o 48.56401 1.071510  23.59186       1.039071  22.86540       1.421951  24.42425       1.522092  -1.597420      2.143019  
1 1 1 -24 14 13 o 27.02143 0.5544731 7.305614       0.2993626 6.880510       0.4200650 7.744333       0.4267390 -1.598143      1.108946  
1 1 1 -24 14 14 o 73.94719 0.8732376 54.14357       1.281022  59.55881       1.969593  50.17334       1.686460  6.328560       1.746475  
1 1 1 -24 14 15 o 26.58850 0.5803091 7.078390       0.3082726 6.695352       0.4353292 7.463666       0.4366000 -1.444775      1.160618  
1 1 1 -24 14 16 o 82.59098 0.9525582 67.96643       1.567094  72.36570       2.347535  64.43020       2.104709  4.787247       1.905116  
1 1 1 -24 14 17 o 83.45032 0.9612222 69.76544       1.604134  70.48033       2.287885  69.07418       2.249772  0.8397751      1.922444  
1 1 1 -24 14 18 o 38.73988 0.6250893 14.82751       0.4808622 16.70162       0.7355445 13.42870       0.6354638 4.219402       1.250179  
1 1 1 -24 14 19 o 111.0389 1.223250  123.6713       2.715829  122.0950       3.788279  125.3381       3.895490  -1.449928      2.446500  
1 1 1 -24 14 20 o 34.83938 0.6181374 12.11914       0.4301686 11.38690       0.5925927 12.93480       0.6254358 -2.219826      1.236275  
1 1 1 -24 14 21 o 108.1254 1.196321  117.2983       2.586913  116.6838       3.636146  117.9282       3.681165  -0.5709686     2.392641  
1 1 1 -24 14 22 o 30.90345 0.6268975 9.494109       0.3858202 10.26110       0.5792032 8.882318       0.5172946 2.227482       1.253795  
1 1 1 -24 14 23 o 53.69725 0.7247573 28.86561       0.7782675 28.34309       1.092122  29.40474       1.109353  -0.9874496     1.449515  
1 1 1 -24 14 24 o 65.82013 0.8172884 43.21655       1.072792  45.71930       1.592318  41.13626       1.451724  3.471016       1.634577  
1 1 1 -24 14 25 o 44.20916 0.6786968 19.57107       0.5999959 19.42463       0.8542768 19.71364       0.8428829 -0.3276062     1.357394  
1 1 1 -24 14 26 o 25.49619 0.6590645 6.504446       0.3350478 6.560737       0.4944749 6.456664       0.4555707 0.2015171      1.318129  
1 1 1 -24 14 27 o 24.17341 0.6898594 5.782569       0.3313286 6.476182       0.5051607 5.258915       0.4389279 2.513029       1.379719  
1 1 1 -24 14 28 o 45.42648 0.6812725 20.66613       0.6188961 20.41198       0.8773502 20.91786       0.8731674 -0.5571060     1.362545  
1 1 1 -24 14 29 o 14.80604 0.9168742 2.127857       0.2660328 2.846270       0.4165412 1.632938       0.3457307 4.090472       1.833748  
1 1 1 -24 14 30 o 60.54540 0.7893267 36.72814       0.9557576 36.92494       1.359502  36.53583       1.343923  0.3199539      1.578653  
1 1 1 -24 14 31 o 7.124132 1.524864  0.5209262      0.2448190 0.3015483      0.3816787 0.6742777      0.3191137 -1.805242      3.049729  
1 1 1 -24 14 32 o 24.05764 0.7218059 5.797249       0.3454358 5.806815       0.5161189 5.789488       0.4649223 0.3149223E-01  1.443612  
1 1 1 -24 14 33 o 43.12717 0.7063947 18.59229       0.6084069 17.26388       0.8404775 20.05469       0.8818472 -3.231815      1.412789  
1 1 1 -24 14 34 o 38.41774 0.7985712 14.74785       0.5880774 14.95871       0.9870159 14.63180       0.7322384 0.3985748      1.597142  
1 1 1 -24 14 35 o 21.66308 0.9599978 4.715889       0.4118996 4.662735       0.6257990 4.756518       0.5471242 -0.2266941     1.919996  
1 1 1 -24 14 36 o 57.43357 1.043146  33.09765       1.196799  33.71194       1.742014  32.54852       1.647036  0.9990311      2.086293  
1 1 1 -24 14 37 o 30.35062 0.8939956 9.205816       0.5401099 9.597755       0.8105601 8.892816       0.7243511 1.150122       1.787991  
1 1 1 -24 14 38 o 41.32259 0.8221459 16.98439       0.6643825 16.48530       0.8486876 17.77437       1.067745  -1.533333      1.644292  
1 1 1 -24 14 39 o 42.94347 0.7341173 18.42937       0.6292211 19.33654       0.9266981 17.65338       0.8570798 1.951748       1.468235  
1 1 1 -24 14 40 o 28.45201 0.7660217 8.083247       0.4338446 8.460726       0.6514573 7.782412       0.5815710 1.182938       1.532043  
1 1 1 -24 14 41 o 48.80550 0.7623188 23.77490       0.7412598 25.14077       1.108137  22.66878       0.9972144 2.517605       1.524638  
1 1 1 -24 14 42 o 47.16440 0.7592354 22.25609       0.7143893 23.02208       1.054873  21.60714       0.9709365 1.488731       1.518471  
1 1 1 -24 14 43 o 54.23949 0.8563322 29.67799       0.9242690 27.07884       1.332473  32.08829       1.283150  -4.625610      1.712664  
1 1 1 -24 14 44 o 27.14082 0.9665097 7.370034       0.5035813 7.526113       0.8435109 7.283598       0.6277218 0.4063511      1.933019  
1 1 1 -24 14 45 o 53.98289 1.067919  29.32748       1.152277  27.95916       1.618603  30.73351       1.640756  -2.564911      2.135839  
1 1 1 -24 14 46 o 9.248968 2.015697  0.7916781      0.4052204 1.241989       0.6765392 0.5397455      0.5060331 3.158370       4.031394  
1 1 1 -24 14 47 o 39.96278 1.023654  16.13318       0.8150817 15.07732       1.177960  17.10309       1.128997  -2.545597      2.047308  
1 1 1 -24 14 48 o 53.80853 1.098599  29.18601       1.181225  27.63736       1.663267  30.76192       1.677837  -2.899761      2.197197  
1 1 1 -24 14 49 o 23.43246 1.237538  5.580585       0.5628425 5.412895       0.9057182 5.686086       0.7183990 -0.6389561     2.475077  
1 1 1 -24 14 50 o 17.87391 1.476639  3.319974       0.5100699 2.900808       0.8025689 3.604012       0.6606588 -2.018152      2.953277  
1 1 1 -24 14 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 15 1  o 89.14458 1.490405  79.89732       2.657109  80.76438       3.778777  79.04932       3.737012  0.9565048      2.980809  
1 1 1 -24 15 2  o 31.36287 1.097974  9.885498       0.6866310 10.75877       0.9703847 9.009849       0.9717023 2.788328       2.195947  
1 1 1 -24 15 3  o 17.30132 1.601447  3.146303       0.5168625 4.054574       0.7212912 2.187678       0.7410156 5.592125       3.202894  
1 1 1 -24 15 4  o 29.38608 1.120134  8.662926       0.6578829 8.717175       0.9153441 8.604957       0.9461964 0.1938210      2.240268  
1 1 1 -24 15 5  o 80.32352 1.383039  64.66871       2.219157  67.67216       3.236444  62.00362       3.048688  3.507126       2.766078  
1 1 1 -24 15 6  o 56.92425 1.141997  32.39206       1.297931  34.58052       1.902545  30.48682       1.775170  3.583851       2.283993  
1 1 1 -24 15 7  o 123.9732 1.948881  154.9509       4.830431  157.9458       6.946039  152.1460       6.721993  2.303741       3.897763  
1 1 1 -24 15 8  o 63.08479 1.195878  39.76886       1.504164  38.04389       2.033072  41.85491       2.235762  -3.001034      2.391756  
1 1 1 -24 15 9  o 50.11869 1.089596  25.15822       1.091388  24.47654       1.508707  25.90652       1.580722  -1.420303      2.179191  
1 1 1 -24 15 10 o 81.91261 1.397477  67.10467       2.283188  71.24718       3.385069  63.64716       3.092553  4.606384       2.794955  
1 1 1 -24 15 11 o 80.11594 1.378554  64.46281       2.208688  64.52113       3.103827  64.40298       3.143668  0.7814026E-01  2.757107  
1 1 1 -24 15 12 o 68.20600 1.242712  46.58228       1.693140  48.77568       2.470094  44.63836       2.325377  3.018494       2.485424  
1 1 1 -24 15 13 o 50.38851 0.8909804 25.79962       0.8218006 24.52474       1.483998  26.36350       0.9869504 -1.859474      1.781961  
1 1 1 -24 15 14 f 18.22523 0.5854438 3.239633       0.2106376 4.007965       0.3287174 2.704367       0.2743679 3.573763       1.170888  
1 1 1 -24 15 15 o 31.49549 0.5835251 9.929635       0.3674231 9.594822       0.5190516 10.26590       0.5201797 -1.065308      1.167050  
1 1 1 -24 15 16 o 49.16470 0.6811032 24.17172       0.6692074 24.84285       0.9698486 23.56179       0.9245780 1.300251       1.362206  
1 1 1 -24 15 17 o 54.23180 0.7162532 29.35335       0.7755132 27.87277       1.059201  31.06415       1.138578  -2.937561      1.432506  
1 1 1 -24 15 18 o 70.44122 0.8508907 49.70639       1.198754  49.62632       1.693715  49.78677       1.696879  -0.1136551     1.701781  
1 1 1 -24 15 19 o 74.22218 0.8834283 54.97224       1.307688  52.39051       1.770200  58.07353       1.940166  -3.815285      1.766857  
1 1 1 -24 15 20 f 64.08297 0.7981939 41.13170       1.022993  41.24870       1.452057  41.01641       1.441462  0.1804810      1.596388  
1 1 1 -24 15 21 o 48.84393 0.6915852 23.75133       0.6735439 22.12476       0.9105210 25.71707       1.000959  -3.671555      1.383170  
1 1 1 -24 15 22 f 23.56211 0.6667283 5.537179       0.3123115 5.745406       0.4716564 5.374598       0.4167690 0.7833538      1.333457  
1 1 1 -24 15 23 o 56.97070 0.7516945 32.50227       0.8564078 31.98892       1.201478  33.03247       1.221046  -0.9143829     1.503389  
1 1 1 -24 15 24 o 86.73911 1.002206  75.44899       1.738475  76.11811       2.477397  74.79983       2.440175  0.7560577      2.004412  
1 1 1 -24 15 25 o 45.27795 0.6821098 20.52563       0.6175858 19.99794       0.8677213 21.06736       0.8791879 -1.180134      1.364220  
1 1 1 -24 15 26 o 41.55947 0.6721031 16.92819       0.5519397 19.76929       0.8662848 14.98677       0.7161045 5.743122       1.344206  
1 1 1 -24 15 27 o 40.90070 0.6679865 16.75041       0.5462493 16.80268       0.7829878 16.70084       0.7624480 0.1230049      1.335973  
1 1 1 -24 15 28 f 17.94235 0.7898962 3.247599       0.2800381 3.070030       0.4238077 3.385211       0.3730901 -0.8828335     1.579792  
1 1 1 -24 15 29 o 63.98997 0.8173455 41.04004       1.045991  40.77608       1.483065  41.30132       1.475474  -0.4111404     1.634691  
1 1 1 -24 15 30 o 45.17853 0.8168544 20.19751       0.7027369 21.30185       1.207604  19.63204       0.8641186 1.813915       1.633709  
1 1 1 -24 15 31 o 84.73700 1.362139  72.18553       2.305692  74.21435       3.360549  70.38102       3.169329  2.228630       2.724278  
1 1 1 -24 15 32 o 75.63921 1.247599  57.49742       1.885742  58.69211       2.734157  56.41356       2.604265  1.484688       2.495198  
1 1 1 -24 15 33 o 62.46936 1.091560  38.96175       1.356991  41.53149       2.045371  36.94137       1.813614  3.639576       2.183120  
1 1 1 -24 15 34 o 28.05396 0.7945309 7.878953       0.4438722 7.778604       0.5987497 8.001391       0.6613719 -0.3902225     1.589062  
1 1 1 -24 15 35 o 71.32240 0.8904385 51.03026       1.270115  51.28602       1.805717  50.77982       1.786860  0.3524628      1.780877  
1 1 1 -24 15 36 o 23.17931 0.7955768 5.458232       0.3635292 4.834913       0.5418796 5.968349       0.4902105 -2.450882      1.591154  
1 1 1 -24 15 37 f 39.76290 0.7117310 15.84970       0.5647660 14.50291       0.7915556 17.24623       0.8060410 -3.448051      1.423462  
1 1 1 -24 15 38 o 21.99524 0.8410354 4.864743       0.3661825 4.773468       0.5564706 4.934454       0.4863118 -0.3755226     1.682071  
1 1 1 -24 15 39 o 62.28543 0.8358323 38.92745       1.041101  38.19427       1.468350  39.66865       1.476361  -1.182407      1.671665  
1 1 1 -24 15 40 o 27.14125 0.7896808 7.383422       0.4243205 7.431158       0.6487495 7.347734       0.5609415 0.1414909      1.579362  
1 1 1 -24 15 41 o 45.04178 0.8056291 20.29688       0.7139552 20.66803       1.119348  20.04232       0.9270027 0.6670952      1.611258  
1 1 1 -24 15 42 o 21.03554 1.060225  4.442299       0.4150921 4.475499       0.7381020 4.426942       0.5019977 0.6953049E-01  2.120449  
1 1 1 -24 15 43 o 29.14923 1.006071  8.585936       0.5811955 8.208623       0.8719747 8.887560       0.7796258 -1.182875      2.012142  
1 1 1 -24 15 44 f 9.446011 1.908057  0.9698138      0.4108857 0.3323805      0.6693559 1.355244       0.5204900 -3.794469      3.816115  
1 1 1 -24 15 45 f 8.165717 1.946409  0.6422898      0.3929467 0.2565139      0.6415969 0.8738505      0.4970810 -1.932167      3.892818  
1 1 1 -24 15 46 f 36.64090 1.004896  13.43979       0.7307922 14.05951       1.114164  12.97187       0.9681438 1.451866       2.009792  
1 1 1 -24 15 47 o 61.39021 1.160859  38.00754       1.424544  36.31480       1.997903  39.75811       2.031741  -2.795437      2.321719  
1 1 1 -24 15 48 o 52.04795 1.089942  27.26829       1.130407  27.82840       1.679316  26.80421       1.528571  0.9434967      2.179885  
1 1 1 -24 15 49 o 47.00792 1.071733  22.31064       1.005486  20.73038       1.425690  23.87452       1.418282  -3.346222      2.143466  
1 1 1 -24 15 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 16 1  o 30.98180 1.123527  9.646388       0.6945984 9.854756       0.9569144 9.414331       1.009842  0.7167759      2.247053  
1 1 1 -24 16 2  f 91.13297 1.521077  83.57563       2.772223  84.67008       3.947039  82.51011       3.894519  1.177208       3.042154  
1 1 1 -24 16 3  o 51.73021 1.111305  26.84869       1.149453  26.80730       1.606511  26.89211       1.645328  -0.7783890E-01 2.222610  
1 1 1 -24 16 4  o 74.04577 1.312073  55.02887       1.942161  56.74086       2.798950  53.43917       2.697139  2.216995       2.624147  
1 1 1 -24 16 5  o 45.61708 1.074629  20.86628       0.9800557 21.68669       1.397399  20.07208       1.374891  1.767517       2.149257  
1 1 1 -24 16 6  o 88.63847 1.484055  78.91309       2.628901  81.48665       3.809522  76.57321       3.632452  2.747833       2.968110  
1 1 1 -24 16 7  o 50.95204 1.117832  26.04550       1.138026  26.09579       1.576162  25.99075       1.644860  0.1099510      2.235664  
1 1 1 -24 16 8  o 23.75572 1.220966  5.666462       0.5796968 5.723266       0.8073148 5.606000       0.8329145 0.2495899      2.441931  
1 1 1 -24 16 9  o 15.13903 1.706088  2.342109       0.5028369 2.634859       0.7217642 2.066016       0.7009310 2.085924       3.412175  
1 1 1 -24 16 10 o 20.68804 1.311022  4.301991       0.5419520 4.417424       0.7573205 4.180829       0.7758887 0.5739670      2.622045  
1 1 1 -24 16 11 o 35.84898 1.066133  12.80892       0.7608490 14.68776       1.121278  11.20561       1.035804  4.848648       2.132266  
1 1 1 -24 16 12 o 116.4628 1.850136  136.7990       4.309318  136.4740       6.068377  137.1297       6.120549  -0.2729340     3.700271  
1 1 1 -24 16 13 o 19.32762 1.366093  3.755098       0.5276114 3.805327       0.7340410 3.701410       0.7588895 0.2718620      2.732186  
1 1 1 -24 16 14 f 62.08451 0.7747577 38.52139       0.9605635 37.17622       1.315315  40.05869       1.406110  -2.315048      1.549515  
1 1 1 -24 16 15 o 48.12442 0.9046190 23.19963       0.7769175 23.18861       0.9120045 23.22876       1.483407  0.4329681E-02  1.809238  
1 1 1 -24 16 16 o 73.79698 1.320307  54.59252       1.945443  52.78740       2.660162  56.66800       2.852433  -2.605568      2.640614  
1 1 1 -24 16 17 o 63.58857 1.216233  40.57432       1.546229  39.79337       2.152146  41.40751       2.222968  -1.260994      2.432467  
1 1 1 -24 16 18 o 59.47156 1.170642  35.19726       1.385204  32.60406       1.847647  38.52552       2.093200  -4.950237      2.341283  
1 1 1 -24 16 19 f 18.15700 1.459287  3.319619       0.5289047 3.070153       0.7453008 3.572710       0.7506969 -1.383131      2.918575  
1 1 1 -24 16 20 o 43.18881 0.8855575 18.62660       0.6772212 18.84321       1.312576  18.54802       0.7905739 0.2955437      1.771115  
1 1 1 -24 16 21 o 42.89706 0.7351633 18.33651       0.6138400 18.83664       0.9954937 18.02969       0.7797149 0.9241219      1.470327  
1 1 1 -24 16 22 o 36.56568 0.6483027 13.32991       0.4729551 12.16297       0.6468908 14.67003       0.6932302 -3.425014      1.296605  
1 1 1 -24 16 23 o 24.88094 0.6595833 6.118345       0.3258225 6.885534       0.4989549 5.547984       0.4302142 2.683079       1.319167  
1 1 1 -24 16 24 f 22.21993 0.6893421 4.955712       0.3044258 4.838192       0.4537792 5.051889       0.4105114 -0.4841042     1.378684  
1 1 1 -24 16 25 o 38.06179 0.6603422 14.50529       0.5023872 14.55840       0.7234606 14.45582       0.6981791 0.1328735      1.320684  
1 1 1 -24 16 26 f 62.94629 0.9536569 39.84214       1.153601  39.37076       1.912377  40.11180       1.446397  -0.6396103     1.907314  
1 1 1 -24 16 27 o 56.57236 1.010407  32.04501       1.141968  30.47561       1.572247  33.79747       1.661414  -2.925148      2.020815  
1 1 1 -24 16 28 o 55.23360 0.9920354 30.54377       1.093454  31.60568       1.610799  29.63623       1.489115  1.767845       1.984071  
1 1 1 -24 16 29 o 98.18796 1.542215  97.19069       3.026905  98.81135       4.366240  95.69109       4.199978  1.555870       3.084431  
1 1 1 -24 16 30 o 89.06284 1.237970  80.06354       2.115764  80.80530       2.649913  78.75916       3.514029  1.289551       2.475940  
1 1 1 -24 16 31 o 77.99149 0.9446538 61.02436       1.473356  61.79928       2.101612  60.27539       2.066121  0.9724045      1.889308  
1 1 1 -24 16 32 o 71.40853 0.8841531 50.81436       1.256814  54.49009       1.891709  47.90982       1.681594  4.581924       1.768306  
1 1 1 -24 16 33 o 31.32753 0.6962256 9.719960       0.4327249 10.71447       0.6651417 8.990137       0.5697936 2.742626       1.392451  
1 1 1 -24 16 34 o 82.14270 0.9767820 67.73158       1.604483  68.23151       2.291669  67.25089       2.247150  0.5905457      1.953564  
1 1 1 -24 16 35 o 16.67650 0.9398028 2.760870       0.3079038 2.949410       0.4899012 2.637766       0.3958609 0.9212723      1.879606  
1 1 1 -24 16 36 o 37.70838 0.7038013 14.15267       0.5274985 15.09881       0.8007540 13.42731       0.7011251 2.205250       1.407603  
1 1 1 -24 16 37 o 16.36576 0.9948691 2.718503       0.3150145 2.578794       0.5080739 2.805749       0.4015029 -0.7112179     1.989738  
1 1 1 -24 16 38 o 50.87508 0.7592446 25.96945       0.7721224 25.44896       1.102776  26.46999       1.081429  -1.006321      1.518489  
1 1 1 -24 16 39 o 13.79217 2.111202  2.069270       0.5704368 1.506981       0.8814802 2.474416       0.7482363 -3.653214      4.222404  
1 1 1 -24 16 40 o 60.76534 0.8881333 37.08928       1.066163  36.96988       1.639451  37.17678       1.403468  -0.2080460     1.776267  
1 1 1 -24 16 41 o 19.78461 1.183354  4.123227       0.4463902 3.153287       0.6902443 4.820534       0.5852509 -4.236418      2.366707  
1 1 1 -24 16 42 o 57.19886 1.081599  32.89771       1.234268  33.41655       1.816483  32.45271       1.682269  0.8136215      2.163198  
1 1 1 -24 16 43 o 20.67715 1.165399  4.384231       0.4658659 3.993917       0.7433619 4.636679       0.5978314 -1.589071      2.330798  
1 1 1 -24 16 44 o 35.65340 0.9812111 12.84237       0.6948389 12.27598       1.031941  13.31215       0.9398097 -1.473248      1.962422  
1 1 1 -24 16 45 o 47.65606 1.034441  22.56643       0.9737008 24.69392       1.525649  21.10427       1.264787  3.706413       2.068882  
1 1 1 -24 16 46 o 28.36168 1.067400  8.116109       0.5926600 8.043960       0.9371854 8.164188       0.7650622 -0.2543526     2.134801  
1 1 1 -24 16 47 o 41.62193 1.028643  17.36592       0.8485929 18.08602       1.300648  16.83219       1.119749  1.459805       2.057287  
1 1 1 -24 16 48 o 24.85734 1.210767  6.418428       0.5799065 5.466714       0.9115859 7.065396       0.7515982 -3.262173      2.421534  
1 1 1 -24 16 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 17 1  o 63.61156 1.217542  40.64304       1.548924  41.18433       2.200296  40.11127       2.180852  0.8409195      2.435085  
1 1 1 -24 17 2  o 74.05821 1.322427  55.11477       1.958070  54.46513       2.727744  55.80537       2.812456  -0.8930054     2.644854  
1 1 1 -24 17 3  o 46.25405 1.095264  21.39939       1.011457  23.10498       1.477783  19.89621       1.387331  3.458218       2.190529  
1 1 1 -24 17 4  o 31.78143 1.114624  10.13246       0.7082993 9.889840       0.9882694 10.38871       1.015665  -0.7816505     2.229247  
1 1 1 -24 17 5  o 35.53340 1.096548  12.63650       0.7780215 13.66683       1.131577  11.71274       1.071460  2.742794       2.193095  
1 1 1 -24 17 6  o 10.05343 1.937572  0.8643734      0.4855724 -0.1001190     0.6668431 1.952978       0.7084501 -7.240070      3.875144  
1 1 1 -24 17 7  o 41.47844 1.095237  17.21371       0.9069856 18.67412       1.320892  15.91089       1.247587  3.322639       2.190474  
1 1 1 -24 17 8  o 80.60968 1.398335  65.19987       2.250394  62.98746       3.074128  67.75442       3.303288  -2.923836      2.796670  
1 1 1 -24 17 9  o 62.60448 1.207638  39.28855       1.510206  38.00826       2.073980  40.73361       2.203400  -2.160606      2.415275  
1 1 1 -24 17 10 o 32.97759 1.107175  10.84911       0.7279088 9.807603       0.9891911 12.07911       1.074990  -3.434296      2.214349  
1 1 1 -24 17 11 o 36.77831 1.095384  13.53892       0.8043533 13.00919       1.099064  14.14989       1.180333  -1.541637      2.190768  
1 1 1 -24 17 12 o 33.77500 1.113560  11.37391       0.7493081 10.12761       1.017530  12.85046       1.107547  -4.020561      2.227120  
1 1 1 -24 17 13 o 25.43991 1.221667  6.473290       0.6186869 7.414403       0.9044545 5.645672       0.8481665 3.469215       2.443333  
1 1 1 -24 17 14 f 36.60589 0.5903374 13.34997       0.4311655 14.46080       0.6360940 12.40578       0.5864474 2.803928       1.180675  
1 1 1 -24 17 15 o 28.47207 0.5691031 8.066056       0.3231031 8.832246       0.4790904 7.426835       0.4375970 2.465591       1.138206  
1 1 1 -24 17 16 f 54.76405 0.7237536 30.02929       0.7925606 30.43701       1.134481  29.64060       1.107699  0.7250977      1.447507  
1 1 1 -24 17 17 o 63.31969 0.7933381 39.80489       0.9989079 36.93214       1.328502  43.54165       1.515170  -5.203587      1.586676  
1 1 1 -24 17 18 o 27.62355 0.6059669 7.598848       0.3335329 8.090753       0.4985109 7.200204       0.4487737 1.608751       1.211934  
1 1 1 -24 17 19 o 64.22437 0.8052579 41.30920       1.034050  40.53889       1.441500  42.12579       1.484169  -1.231762      1.610516  
1 1 1 -24 17 20 f 58.79109 0.7623181 34.60349       0.8959038 35.29720       1.291846  33.96068       1.243533  1.132668       1.524636  
1 1 1 -24 17 21 o 12.63569 0.8616871 1.568179       0.2155540 1.865153       0.3338149 1.355792       0.2822989 2.010625       1.723374  
1 1 1 -24 17 22 o 42.62773 0.6743424 18.00986       0.5711835 19.84404       0.8705030 16.62314       0.7569079 3.769192       1.348685  
1 1 1 -24 17 23 o 14.67082 2.292233  2.029563       0.4176816 1.984193       0.4384042 2.475732       1.374799  -1.225850      4.584465  
1 1 1 -24 17 24 f 20.94627 1.254552  4.399195       0.5255638 4.399195       0.5255638 ?              ?         ?              ?         
1 1 1 -24 17 25 o 16.05508 2.062172  2.596838       0.6621670 2.596838       0.6621670 ?              ?         ?              ?         
1 1 1 -24 17 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 17 27 o 60.81762 1.473129  37.91187       1.729684  39.94919       2.212560  34.70990       2.773783  4.414474       2.946258  
1 1 1 -24 17 28 o 61.62392 1.244785  38.19959       1.534114  38.61778       2.171637  37.78299       2.167500  0.6766319      2.489570  
1 1 1 -24 17 29 o 57.88229 1.206223  33.67635       1.396034  34.36829       2.001646  33.02098       1.948027  1.155025       2.412446  
1 1 1 -24 17 30 o 82.77095 1.453366  69.07127       2.405753  68.60636       3.377762  69.54989       3.427276  -0.5599899     2.906733  
1 1 1 -24 17 31 o 66.60102 1.276404  44.65030       1.700178  44.71290       2.410572  44.58833       2.398305  0.9127808E-01  2.552807  
1 1 1 -24 17 32 o 12.93198 2.086124  1.828965       0.5521746 1.013193       0.8326321 2.469386       0.7377368 -5.385090      4.172248  
1 1 1 -24 17 33 o 79.96308 1.425552  64.48520       2.279802  64.69202       3.233888  64.28086       3.214454  0.2529755      2.851104  
1 1 1 -24 17 34 o 28.17613 1.241244  7.912205       0.6957039 8.825712       1.052027  7.202229       0.9274534 2.856647       2.482489  
1 1 1 -24 17 35 o 67.13231 1.292237  45.42617       1.734988  45.45007       2.460960  45.40256       2.446393  0.3221130E-01  2.584473  
1 1 1 -24 17 36 o 24.28572 1.390156  5.797922       0.6662108 7.192106       1.041869  4.833555       0.8665113 4.813099       2.780312  
1 1 1 -24 17 37 o 57.48017 1.241838  33.27452       1.426786  33.83136       2.059635  32.76075       1.978377  0.9134941      2.483675  
1 1 1 -24 17 38 o 12.72707 2.614959  1.823364       0.6885417 0.9840326      1.377378  2.102982       0.7950026 -2.746650      5.229918  
1 1 1 -24 17 39 o 49.73540 1.689689  0.000000       0.000000  ?              ?         24.92268       1.680747  ?              ?         
1 1 1 -24 17 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 17 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 17 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 17 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 17 44 o 7.771696 3.344375  -0.2647002E-01 0.9403466 -0.2647002E-01 0.9403466 ?              ?         ?              ?         
1 1 1 -24 17 45 o 29.69952 1.599188  8.896182       0.9499025 8.896182       0.9499025 ?              ?         ?              ?         
1 1 1 -24 17 46 o 23.94819 1.350092  5.884405       0.6343363 7.156581       0.8949437 4.599968       0.8992456 5.339239       2.700184  
1 1 1 -24 17 47 f 53.63318 1.100960  28.87511       1.177576  26.06606       1.610598  32.10144       1.726080  -5.595570      2.201920  
1 1 1 -24 17 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 18 1  f 10.78570 2.076404  1.109608       0.5102866 0.3465813      0.6934198 2.010932       0.7536448 -6.116828      4.152807  
1 1 1 -24 18 2  o 51.27864 1.132152  26.39215       1.160268  26.05033       1.606354  26.76502       1.677705  -0.6874237     2.264304  
1 1 1 -24 18 3  o 42.33214 1.104851  17.97414       0.9342625 17.66404       1.285146  18.32170       1.360571  -0.7671852     2.209703  
1 1 1 -24 18 4  o 44.70599 1.114890  19.68960       0.9873520 17.17217       1.294949  23.18540       1.525974  -6.696033      2.229780  
1 1 1 -24 18 5  o 23.68705 1.263815  5.610251       0.5968235 5.041826       0.8143288 6.269912       0.8772508 -2.583403      2.527630  
1 1 1 -24 18 6  o 7.405957 2.121229  0.2350703      0.4887336 0.2832960      0.6955752 0.1880462      0.6868548 0.3035789      4.242459  
1 1 1 -24 18 7  f 76.10310 1.358696  58.22223       2.067190  57.32417       2.875105  59.18335       2.974316  -1.206642      2.717391  
1 1 1 -24 18 8  o 51.22105 1.143240  26.32773       1.170681  25.86162       1.627675  26.82725       1.685000  -0.9354286     2.286479  
1 1 1 -24 18 9  o 97.36505 1.613547  95.52770       3.141046  94.30185       4.376457  96.82996       4.510808  -1.274590      3.227094  
1 1 1 -24 18 10 o 52.80711 1.145148  27.97971       1.208831  27.43130       1.677631  28.57193       1.743354  -1.071785      2.290296  
1 1 1 -24 18 11 f 51.80354 1.143773  26.83886       1.181989  25.53903       1.602993  28.38769       1.749811  -2.731152      2.287547  
1 1 1 -24 18 12 o 38.22243 1.100489  14.66677       0.8411252 14.89024       1.185342  14.44011       1.193764  0.5898361      2.200978  
1 1 1 -24 18 13 o 19.44878 1.481379  3.778814       0.5698646 3.056846       0.7723001 4.641731       0.8443285 -4.062862      2.962758  
1 1 1 -24 18 14 o 42.19679 1.106084  17.86835       0.9326215 17.74484       1.289766  18.00368       1.350157  -0.2993050     2.212169  
1 1 1 -24 18 15 o 61.52325 0.7771572 37.92295       0.9562254 37.86256       1.345741  37.98452       1.358971  -0.9796143E-01 1.554314  
1 1 1 -24 18 16 o 24.72890 0.5896763 6.140177       0.2906260 5.597291       0.4135020 6.670155       0.4085569 -2.169577      1.179353  
1 1 1 -24 18 17 o 85.71764 0.9912080 73.70851       1.699250  73.52594       2.394867  73.89362       2.411424  -0.2125931     1.982416  
1 1 1 -24 18 18 o 28.18682 0.6098273 7.858044       0.3415844 8.874570       0.5197589 7.085198       0.4531992 3.169392       1.219655  
1 1 1 -24 18 19 o 63.27181 0.9413676 40.14813       1.144970  40.16676       1.902729  40.13755       1.433571  -0.2876282E-01 1.882735  
1 1 1 -24 18 20 o 10.55617 1.032408  1.101725       0.2154919 1.226854       0.3367659 1.014967       0.2804171 0.9965849      2.064815  
1 1 1 -24 18 21 o 60.51409 1.026337  36.72168       1.241037  37.48096       1.800607  36.03460       1.712861  1.183952       2.052675  
1 1 1 -24 18 22 o 43.35221 0.8429357 18.71619       0.7272263 20.06403       1.096654  17.65827       0.9715752 2.761345       1.685871  
1 1 1 -24 18 23 o 51.94281 0.8327827 27.26372       0.8507366 28.34974       1.119333  25.77833       1.309072  2.495537       1.665565  
1 1 1 -24 18 24 f 13.36755 1.000477  1.930186       0.2477939 1.239311       0.3783965 2.448893       0.3278753 -4.530576      2.000954  
1 1 1 -24 18 25 o 28.96176 0.6640116 8.252837       0.3805933 9.457057       0.5929921 7.409303       0.4963031 3.526606       1.328023  
1 1 1 -24 18 26 f 40.99501 0.6811634 16.83952       0.5581508 16.11211       0.7870363 17.57554       0.7916732 -1.784454      1.362327  
1 1 1 -24 18 27 o 32.98666 0.6724434 10.92472       0.4426318 10.34734       0.6358254 11.46766       0.6165705 -1.699932      1.344887  
1 1 1 -24 18 28 o 40.21101 0.6864669 16.05558       0.5494047 14.18239       0.7403724 18.35117       0.8196064 -5.175930      1.372934  
1 1 1 -24 18 29 o 81.19240 0.9676608 65.90630       1.566891  62.77759       2.121070  69.66475       2.324748  -4.212570      1.935322  
1 1 1 -24 18 30 o 68.81346 0.8681288 47.47018       1.194304  46.44659       1.660597  48.56693       1.718915  -1.533226      1.736258  
1 1 1 -24 18 31 o 41.61914 0.6971834 17.35327       0.5796201 17.43784       0.8416137 17.27696       0.7994255 0.1888504      1.394367  
1 1 1 -24 18 32 o 41.11798 0.7053790 16.96894       0.5792393 16.17222       0.8272573 17.73525       0.8113116 -1.902454      1.410758  
1 1 1 -24 18 33 o 55.85638 0.7772384 31.19724       0.8664477 32.66947       1.276653  29.94001       1.179759  2.430500       1.554477  
1 1 1 -24 18 34 o 31.17163 0.7173527 9.806154       0.4442090 8.921075       0.6464894 10.59774       0.6113918 -2.693804      1.434705  
1 1 1 -24 18 35 f 21.97584 0.8088088 4.836824       0.3489558 4.888471       0.5499284 4.802011       0.4514984 0.1827335      1.617618  
1 1 1 -24 18 36 o 16.60083 1.087129  2.924394       0.3329601 2.339329       0.5620953 3.240656       0.4132675 -2.742221      2.174259  
1 1 1 -24 18 37 o 10.14836 1.607375  1.205069       0.3094206 0.6531662      0.5584324 1.449579       0.3716950 -3.707863      3.214751  
1 1 1 -24 18 38 o 40.83017 0.9383313 16.68940       0.7607023 17.25664       1.155200  16.25511       1.010795  1.200050       1.876663  
1 1 1 -24 18 39 o 5.260547 1.661121  -0.1844548     0.3350695 -0.1215170     0.5818792 -0.2156778     0.4098398 1.287426       3.322242  
1 1 1 -24 18 40 f 33.06289 0.9400689 11.04348       0.6152480 10.57642       0.9282020 11.40949       0.8216866 -1.280842      1.880138  
1 1 1 -24 18 41 f 30.71272 0.9658968 9.561746       0.5855591 8.979215       0.8874401 10.01093       0.7792747 -1.702808      1.931794  
1 1 1 -24 18 42 o 23.24663 1.116434  5.606751       0.4988846 4.772268       0.7889780 6.162669       0.6439635 -3.025475      2.232867  
1 1 1 -24 18 43 o 34.44357 0.9751003 11.93445       0.6635414 11.95405       1.021308  11.92014       0.8728594 0.1598358E-01  1.950201  
1 1 1 -24 18 44 f 22.69924 1.138299  5.085426       0.5017667 5.663874       0.8317879 4.754512       0.6291267 1.946507       2.276597  
1 1 1 -24 18 45 o 8.899091 1.736001  0.1266960      0.3927672 1.965762       0.7449290 -0.5814112     0.4622382 9.378965       3.472002  
1 1 1 -24 18 46 o 25.69788 1.452236  6.850408       0.6261894 6.420738       1.285701  6.984025       0.7169732 -1.289085      2.904473  
1 1 1 -24 19 1  o 27.71591 1.231191  7.713517       0.6814861 7.520668       0.9345244 7.932545       0.9959381 -0.7330475     2.462382  
1 1 1 -24 19 2  o 40.05875 1.130969  16.11087       0.9050055 15.89629       1.245968  16.35051       1.316702  -0.5565376     2.261937  
1 1 1 -24 19 3  o 53.21689 1.163687  28.25929       1.233227  26.38391       1.652900  30.61406       1.852152  -3.944683      2.327375  
1 1 1 -24 19 4  o 51.43243 1.154621  26.57118       1.187448  26.20772       1.658680  26.95329       1.700719  -0.7186623     2.309242  
1 1 1 -24 19 5  f 12.53364 2.108107  1.664124       0.5218904 1.820738       0.7276871 1.498245       0.7488990 1.229869       4.216214  
1 1 1 -24 19 6  o 31.42183 1.177334  9.922920       0.7396048 9.986540       1.033881  9.856240       1.058471  0.2109299      2.354668  
1 1 1 -24 19 7  o 39.16858 1.134302  15.41337       0.8883449 15.81046       1.255714  15.01552       1.256906  1.014919       2.268604  
1 1 1 -24 19 8  o 79.00000 1.401720  62.79023       2.213368  61.64209       3.066910  64.03825       3.197526  -1.494148      2.803440  
1 1 1 -24 19 9  o 19.47875 1.510321  3.844712       0.5777798 4.794844       0.8324856 2.961695       0.8025447 4.700092       3.020642  
1 1 1 -24 19 10 o 31.76060 1.164100  10.11843       0.7388300 9.734110       1.019867  10.54288       1.071793  -1.265863      2.328199  
1 1 1 -24 19 11 o 63.70134 1.242873  40.77812       1.583127  41.81573       2.264614  39.78637       2.214002  1.585201       2.485746  
1 1 1 -24 19 12 o 60.69344 1.222420  36.56159       1.471630  33.58926       1.935554  40.63401       2.265597  -5.754177      2.444840  
1 1 1 -24 19 13 o 11.03304 2.219402  1.262684       0.5221446 1.571376       0.7377023 0.9527798      0.7391478 2.332669       4.438804  
1 1 1 -24 19 14 o 35.76952 1.159303  12.69332       0.8240476 11.12534       1.098768  14.70898       1.245788  -4.988270      2.318605  
1 1 1 -24 19 15 o 16.40716 0.5571181 2.712353       0.1816168 2.427450       0.2618992 2.976277       0.2520723 -1.673203      1.114236  
1 1 1 -24 19 16 o 52.56721 0.8158857 27.86330       0.8394991 26.86899       1.318738  28.54080       1.088562  -1.613697      1.631771  
1 1 1 -24 19 17 o 4.689582 1.212143  0.1778758      0.1496175 0.8608393E-01  0.2427797 0.2340845      0.1899817 -0.5351024     2.424286  
1 1 1 -24 19 18 o 25.33622 0.6902904 6.434758       0.3482208 5.661441       0.4863321 7.248308       0.4988227 -3.130505      1.380581  
1 1 1 -24 19 19 o 23.65728 0.7022765 5.617723       0.3314318 5.427146       0.4812495 5.789663       0.4571123 -0.7684155     1.404553  
1 1 1 -24 19 20 o 5.822349 1.291135  0.2690118      0.1840010 0.5756180      0.2827318 0.4374357E-01  0.2423450 3.195181       2.582270  
1 1 1 -24 19 21 o 8.007290 1.265079  0.6742136      0.1952413 0.6406726      0.3049047 0.6975245      0.2541888 -0.3701587     2.530158  
1 1 1 -24 19 22 o 33.03170 0.6395349 10.77757       0.4191415 12.15235       0.6442953 9.768873       0.5518869 3.599834       1.279070  
1 1 1 -24 19 23 o 56.18671 0.7589509 31.56958       0.8516230 32.91166       1.246030  30.39307       1.166640  2.233028       1.517902  
1 1 1 -24 19 24 o 69.89578 0.8694815 48.98953       1.215308  49.60393       1.735689  48.39861       1.702210  0.8581848      1.738963  
1 1 1 -24 19 25 o 48.37008 0.7195427 23.44757       0.6959288 23.34427       0.9936290 23.54703       0.9750184 -0.2115097     1.439085  
1 1 1 -24 19 26 o 62.90440 0.8154083 39.67788       1.025798  39.68840       1.458530  39.66759       1.442990  0.1469421E-01  1.630817  
1 1 1 -24 19 27 o 32.44366 0.6814656 10.56992       0.4409553 9.716545       0.6261435 11.40960       0.6210968 -2.609724      1.362931  
1 1 1 -24 19 28 f 23.99265 0.7188432 5.749045       0.3411210 5.900379       0.5258827 5.639115       0.4482094 0.5361748      1.437686  
1 1 1 -24 19 29 o 36.85479 0.6892771 13.62493       0.5069517 12.53058       0.7142026 14.73620       0.7197050 -2.991726      1.378554  
1 1 1 -24 19 30 o 31.00814 0.6956230 9.664378       0.4290060 9.349030       0.6352983 9.928720       0.5816565 -0.9408703     1.391246  
1 1 1 -24 19 31 o 54.77200 0.7765148 30.03928       0.8499275 28.62679       1.175622  31.58594       1.230193  -2.694012      1.553030  
1 1 1 -24 19 32 o 59.05540 0.8061094 34.99228       0.9519698 34.68476       1.353837  35.29303       1.338865  -0.5171242     1.612219  
1 1 1 -24 19 33 o 60.82721 0.8202626 37.07972       0.9972910 35.60159       1.383681  38.67773       1.438692  -2.520622      1.640525  
1 1 1 -24 19 34 o 32.23742 0.7683511 10.42467       0.4848872 10.41775       0.7687404 10.42924       0.6248693 -0.3745651E-01 1.536702  
1 1 1 -24 19 35 o 41.97400 0.8451335 18.09283       0.6881077 15.73402       1.071983  19.74587       0.8973914 -4.805809      1.690267  
1 1 1 -24 19 36 o 8.215410 1.708811  0.7235063      0.3238074 0.2301122      0.5393025 1.001647       0.4049183 -3.087475      3.417622  
1 1 1 -24 19 37 o 33.83250 0.9120266 11.25094       0.6043435 12.70211       0.9793674 10.35856       0.7680016 3.424969       1.824053  
1 1 1 -24 19 38 o 6.129169 2.786999  0.000000       0.000000  ?              ?         -0.4350813     0.7483046 ?              ?         
1 1 1 -24 19 39 o 58.01469 1.078557  33.85944       1.247371  34.44792       1.846720  33.36568       1.691571  0.8953552      2.157114  
1 1 1 -24 19 40 o 24.51522 1.023733  5.991107       0.4893840 6.306117       0.7937889 5.797959       0.6215646 0.9976864      2.047466  
1 1 1 -24 19 41 o 11.83981 1.755055  1.470118       0.3788574 1.418565       0.6898871 1.492378       0.4533315 -0.6175900     3.510110  
1 1 1 -24 19 42 o 42.63292 0.9823885 18.02411       0.8245374 19.78013       1.308281  16.86698       1.062006  3.358833       1.964777  
1 1 1 -24 19 43 o 31.24384 0.9931740 9.926511       0.6123043 9.139473       0.9227006 10.54581       0.8184930 -2.276514      1.986348  
1 1 1 -24 19 44 o 30.63149 1.017922  9.234937       0.6076718 10.38654       0.9990473 8.558686       0.7655760 2.925604       2.035843  
1 1 1 -24 19 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 20 1  o 18.97900 1.647406  3.633936       0.6247272 3.486064       0.8610544 3.798297       0.9077929 -0.8118591     3.294813  
1 1 1 -24 20 2  o 17.12115 1.860894  2.992827       0.6073465 2.200728       0.8205854 3.952402       0.9031780 -5.319095      3.721788  
1 1 1 -24 20 3  o 26.91877 1.306830  7.313067       0.7016842 7.755794       0.9793785 6.846119       1.005812  1.694372       2.613660  
1 1 1 -24 20 4  o 41.19495 1.153779  17.01921       0.9495351 16.17117       1.307083  17.96685       1.381713  -2.167782      2.307559  
1 1 1 -24 20 5  o 18.53838 1.622583  3.477422       0.5985284 3.047352       0.8392094 3.922655       0.8538751 -2.357571      3.245166  
1 1 1 -24 20 6  o 63.86859 1.263139  40.98690       1.611970  39.85510       2.221721  42.24500       2.342404  -1.850304      2.526278  
1 1 1 -24 20 7  o 10.61228 2.314450  1.137631       0.5470150 1.398990       0.7792119 0.8836730      0.7680998 1.871060       4.628901  
1 1 1 -24 20 8  o 30.79207 1.215415  9.527056       0.7479914 9.333625       1.035114  9.738441       1.082088  -0.6496353     2.430830  
1 1 1 -24 20 9  o 45.84857 1.152278  21.11833       1.056126  20.84885       1.467942  21.40751       1.520626  -0.6010628     2.304557  
1 1 1 -24 20 10 o 52.67738 1.176989  27.88874       1.239683  27.62235       1.730046  28.16988       1.777261  -0.5122147     2.353979  
1 1 1 -24 20 11 f 10.66151 2.255279  1.132005       0.5373642 0.6987858      0.7426352 1.608116       0.7785306 -3.336878      4.510557  
1 1 1 -24 20 12 f 51.85752 1.188405  27.03856       1.232408  27.54083       1.743948  26.53752       1.741829  0.9670334      2.376811  
1 1 1 -24 20 13 o 32.04127 1.757294  0.000000       0.000000  ?              ?         10.32699       1.126119  ?              ?         
1 1 1 -24 20 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 20 15 f 24.80441 0.5943157 6.164143       0.2946519 5.936236       0.4177469 6.389780       0.4156624 -0.9144096     1.188631  
1 1 1 -24 20 16 o 11.56323 0.7198910 1.312742       0.1644710 1.517177       0.2583197 1.173368       0.2132897 1.482231       1.439782  
1 1 1 -24 20 17 o 63.55833 0.8526793 40.52063       1.077213  40.60692       1.446257  40.41311       1.614390  0.1719933      1.705359  
1 1 1 -24 20 18 f 25.71574 0.6119701 6.623762       0.3141906 6.602909       0.4577527 6.642337       0.4320278 -0.7882309E-01 1.223940  
1 1 1 -24 20 19 f 53.30289 0.7343128 28.46303       0.7826355 28.07467       1.092531  28.87238       1.121671  -0.7453041     1.468626  
1 1 1 -24 20 20 o 24.16030 0.6317059 5.763826       0.3030276 6.607568       0.4630876 5.132001       0.4007346 3.048140       1.263412  
1 1 1 -24 20 21 f 35.76828 0.6428133 12.70291       0.4572215 13.85371       0.6933112 11.81722       0.6082287 2.838913       1.285627  
1 1 1 -24 20 22 f 28.63578 0.6387169 8.201263       0.3649337 8.388683       0.5374129 8.040891       0.4971266 0.6035213      1.277434  
1 1 1 -24 20 23 o 21.39126 0.6894621 4.540755       0.2927552 4.934550       0.4483494 4.248065       0.3865314 1.598352       1.378924  
1 1 1 -24 20 24 o 35.46323 0.6625102 12.55435       0.4685573 13.17268       0.6949258 12.03892       0.6344729 1.592613       1.325020  
1 1 1 -24 20 25 o 7.350865 1.407567  0.4611951      0.2250395 0.9596207      0.3746109 0.1797646      0.2814918 4.447414       2.815133  
1 1 1 -24 20 26 o 39.26711 0.6884532 15.45551       0.5405172 15.08043       0.7661447 15.82721       0.7626806 -0.9512672     1.376906  
1 1 1 -24 20 27 o 43.67550 0.7060786 18.99755       0.6145173 16.99604       0.8345055 21.36867       0.9082929 -4.997211      1.412157  
1 1 1 -24 20 28 o 24.86471 0.7250491 6.146669       0.3561009 6.516654       0.5552502 5.888165       0.4641192 1.252439       1.450098  
1 1 1 -24 20 29 o 58.04085 0.7954968 33.79197       0.9233127 33.06892       1.301049  34.52559       1.310525  -1.253536      1.590994  
1 1 1 -24 20 30 o 17.34349 0.8810835 2.994209       0.2968705 3.124969       0.4855454 2.916143       0.3751639 0.5849590      1.762167  
1 1 1 -24 20 31 o 17.85209 0.8881527 3.263440       0.3066401 2.923863       0.4864496 3.487344       0.3950022 -1.592329      1.776305  
1 1 1 -24 20 32 o 18.75480 1.025069  3.819130       0.3471353 2.801089       0.5911840 4.354847       0.4288524 -4.170527      2.050138  
1 1 1 -24 20 33 o 22.14902 0.9023539 4.774729       0.3802395 5.414921       0.6642926 4.462765       0.4637201 2.115406       1.804708  
1 1 1 -24 20 34 o 20.69882 1.055646  4.566217       0.4114440 3.098528       0.6202791 5.719375       0.5498124 -6.344767      2.111292  
1 1 1 -24 20 35 f 39.80959 0.9057962 15.91694       0.7178493 15.96911       1.068534  15.87404       0.9691160 0.1014290      1.811592  
1 1 1 -24 20 36 o 37.62632 0.9054498 13.95831       0.6699909 15.66159       1.070191  12.86045       0.8592002 3.682266       1.810900  
1 1 1 -24 20 37 o 40.18027 0.9387149 16.26997       0.7515132 14.61532       1.060715  17.93770       1.064898  -4.133469      1.877430  
1 1 1 -24 20 38 o 43.99613 0.9696851 19.50207       0.8510185 18.96285       1.239003  19.98366       1.170925  -1.174633      1.939370  
1 1 1 -24 20 39 o 20.16748 1.175420  4.364202       0.4423877 3.190690       0.7050858 5.126097       0.5681267 -4.832851      2.350839  
1 1 1 -24 20 40 o 41.40840 0.9602281 17.18708       0.7890494 17.75846       1.201077  16.75325       1.046578  1.178814       1.920456  
1 1 1 -24 20 41 o 22.66486 1.098498  5.246021       0.4840711 4.882943       0.7663177 5.487092       0.6244262 -1.371418      2.196995  
1 1 1 -24 20 42 o 29.69773 0.9934604 8.931714       0.5798240 8.587572       0.8985788 9.177231       0.7589753 -1.026676      1.986921  
1 1 1 -24 20 43 o 54.37562 1.395892  29.80118       1.353695  30.35387       2.593588  29.59423       1.587013  0.3581047      2.791784  
1 1 1 -24 21 1  o 19.40505 1.680958  3.851892       0.6421350 4.601098       0.9048904 3.091908       0.9113765 3.890240       3.361917  
1 1 1 -24 21 2  o 41.54552 1.182054  17.31814       0.9799868 16.76717       1.334016  17.96404       1.444374  -1.421295      2.364108  
1 1 1 -24 21 3  o 40.40323 1.189998  16.31326       0.9579393 15.23080       1.287861  17.65389       1.433231  -2.973316      2.379996  
1 1 1 -24 21 4  o 43.35936 1.172585  18.83746       1.014440  17.93875       1.377879  19.90117       1.499037  -2.242210      2.345169  
1 1 1 -24 21 5  o 36.33329 1.200802  13.02525       0.8637717 10.97085       1.138819  15.80806       1.325421  -6.624119      2.401604  
1 1 1 -24 21 6  o 10.76039 2.343816  1.163705       0.5634527 0.8561027      0.7820868 1.495668       0.8124660 -2.306512      4.687631  
1 1 1 -24 21 7  o 34.25584 1.205731  11.77712       0.8250895 11.20962       1.134363  12.41465       1.202304  -1.747017      2.411462  
1 1 1 -24 21 8  f 27.21295 1.321126  7.454934       0.7188797 7.278156       1.004745  7.640345       1.028987  -0.6608543     2.642252  
1 1 1 -24 21 9  o 31.59470 1.237287  10.01055       0.7797254 9.034763       1.071880  11.10722       1.136338  -3.268295      2.474574  
1 1 1 -24 21 10 o 31.77571 1.739813  0.000000       0.000000  ?              ?         10.15906       1.105676  ?              ?         
1 1 1 -24 21 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 21 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 21 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 21 14 o 12.07022 2.592363  1.465915       0.6636591 1.318028       0.8363317 1.717400       1.090605  -1.553761      5.184726  
1 1 1 -24 21 15 o 31.66373 1.228762  10.09030       0.7778015 10.45634       1.101861  9.726766       1.098104  1.151386       2.457523  
1 1 1 -24 21 16 o 50.06868 0.7025840 25.09893       0.7032325 25.83556       1.013180  24.41418       0.9768562 1.415703       1.405168  
1 1 1 -24 21 17 o 18.68223 0.6081931 3.455745       0.2259008 3.893253       0.3426452 3.119373       0.3004426 2.067410       1.216386  
1 1 1 -24 21 18 f 27.91024 0.6044341 7.767477       0.3364347 8.244348       0.4993688 7.371120       0.4552647 1.560442       1.208868  
1 1 1 -24 21 19 o 20.87162 0.6581716 4.414834       0.2704998 3.550297       0.3845573 5.261505       0.3805630 -4.099749      1.316343  
1 1 1 -24 21 20 o 23.31849 0.6460093 5.450219       0.3000317 5.412601       0.4442016 5.481779       0.4068697 -0.1519432     1.292019  
1 1 1 -24 21 21 o 20.50674 0.6719172 4.243918       0.2728298 3.962469       0.4076914 4.472191       0.3671626 -1.246977      1.343834  
1 1 1 -24 21 22 o 51.59387 0.7311504 26.68397       0.7544316 26.57538       1.070007  26.79131       1.063874  -0.2099724     1.462301  
1 1 1 -24 21 23 o 24.14224 0.6688422 5.805521       0.3211792 6.163002       0.4853303 5.526975       0.4284087 1.310968       1.337684  
1 1 1 -24 21 24 f 48.61762 0.7226190 23.68185       0.7021207 24.05357       1.015772  23.34175       0.9715980 0.7266197      1.445238  
1 1 1 -24 21 25 o 41.63227 0.6962044 17.37781       0.5795085 17.19436       0.8273621 17.55449       0.8119529 -0.4343872     1.392409  
1 1 1 -24 21 26 o 7.587528 1.529599  0.5790332      0.2353692 0.6655900      0.3967224 0.5320175      0.2923866 0.8733406      3.059199  
1 1 1 -24 21 27 o 24.15537 0.7237799 5.757002       0.3451269 6.415029       0.5431004 5.311274       0.4469854 2.272415       1.447560  
1 1 1 -24 21 28 o 27.42537 0.7419044 7.656983       0.3995609 6.091365       0.5721929 9.146941       0.5581958 -5.572515      1.483809  
1 1 1 -24 21 29 o 12.44223 1.270601  1.606189       0.2810098 1.525622       0.5062021 1.642078       0.3378491 -0.6874084     2.541201  
1 1 1 -24 21 30 o 14.22189 1.160261  2.072185       0.3066964 1.939177       0.5361089 2.136891       0.3739294 -0.7293139     2.320521  
1 1 1 -24 21 31 o 26.45346 0.8900102 7.126737       0.4632367 6.344546       0.6967616 7.746359       0.6201430 -2.662678      1.780020  
1 1 1 -24 21 32 o 26.23755 0.9023580 6.987611       0.4631160 6.544232       0.7224696 7.296876       0.6033881 -1.455458      1.804716  
1 1 1 -24 21 33 o 38.76531 0.9113558 15.11780       0.7025411 13.09585       0.9814001 17.24302       1.006148  -5.344540      1.822712  
1 1 1 -24 21 34 f 52.88678 1.004406  28.08864       1.058802  28.77219       1.571026  27.51977       1.433194  1.154182       2.008812  
1 1 1 -24 21 35 o 22.70594 1.002049  5.266932       0.4407652 4.848335       0.7021430 5.539158       0.5662300 -1.551226      2.004099  
1 1 1 -24 21 36 o 22.32022 1.022347  5.144205       0.4416089 4.405138       0.6881129 5.661770       0.5758373 -2.839787      2.044693  
1 1 1 -24 21 37 o 27.29763 1.009169  7.695070       0.5355336 6.423596       0.8157420 8.658134       0.7099488 -4.116625      2.018338  
1 1 1 -24 21 38 o 9.215830 1.918005  0.8602394      0.3581977 0.9501954      0.6381439 0.8188591      0.4328128 0.7949896      3.836011  
1 1 1 -24 21 39 o 28.08569 0.9847409 8.060454       0.5420954 7.245497       0.8287628 8.669871       0.7166722 -2.563103      1.969482  
1 1 1 -24 21 40 o 19.58706 1.220768  4.060552       0.4519285 3.197944       0.7216563 4.617113       0.5796688 -3.663940      2.441536  
1 1 1 -24 21 41 o 15.16686 1.469893  2.339449       0.4228729 2.320722       0.7210140 2.349269       0.5220970 -0.1652775     2.939786  
1 1 1 -24 22 1  o 44.82872 1.224783  20.25100       1.097611  20.89097       1.549234  19.60601       1.555296  1.434464       2.449566  
1 1 1 -24 22 2  o 16.22477 2.119091  2.767700       0.6613035 2.711019       0.9138047 2.830024       0.9582243 -0.3386078     4.238182  
1 1 1 -24 22 3  o 34.85963 1.253163  12.15870       0.8706527 11.19721       1.174146  13.33316       1.297679  -3.037861      2.506326  
1 1 1 -24 22 4  f 65.50576 1.308874  42.99714       1.708164  40.50971       2.295960  46.08086       2.556388  -4.196659      2.617749  
1 1 1 -24 22 5  o 45.21409 1.207250  20.57199       1.091506  20.21140       1.526545  20.94918       1.561288  -0.8091240     2.414500  
1 1 1 -24 22 6  o 53.76671 1.233909  29.08205       1.326311  28.20903       1.844356  30.01701       1.908672  -1.668732      2.467817  
1 1 1 -24 22 7  o 14.56702 2.210191  2.179772       0.6444363 3.151679       0.9583183 1.377445       0.8707090 6.083823       4.420382  
1 1 1 -24 22 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 22 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 22 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 22 11 o 11.74926 3.458365  1.441571       0.8665357 1.441571       0.8665357 ?              ?         ?              ?         
1 1 1 -24 22 12 o 23.36226 1.477343  5.497844       0.6891937 5.088837       0.9518765 5.948509       0.9991772 -1.829012      2.954686  
1 1 1 -24 22 13 o 14.85019 2.091566  2.305310       0.6085486 2.776141       0.8644494 1.842734       0.8568364 3.373856       4.183131  
1 1 1 -24 22 14 o 46.00278 1.187321  21.26722       1.091556  22.43263       1.574581  20.18898       1.514555  2.427326       2.374641  
1 1 1 -24 22 15 o 21.44202 1.533139  4.611917       0.6447672 5.984042       0.9580874 3.476078       0.8716994 5.827347       3.066278  
1 1 1 -24 22 16 o 31.60730 0.9799336 9.922168       0.4707522 10.20843       1.131959  9.862304       0.5176387 0.4551716      1.959867  
1 1 1 -24 22 17 o 49.07477 0.9780209 23.78157       0.8287326 25.00836       1.684431  23.38978       0.9519122 1.533611       1.956042  
1 1 1 -24 22 18 o 52.81030 0.7314889 27.86576       0.7711529 26.41746       1.051998  29.54785       1.133733  -2.953686      1.462978  
1 1 1 -24 22 19 o 28.84158 1.049792  8.347906       0.4714727 8.338922       0.5226662 8.387145       1.092321  0.1357079E-01  2.099584  
1 1 1 -24 22 20 o 58.88263 0.7861132 34.61315       0.9233984 32.47218       1.252558  37.16193       1.366655  -3.966618      1.572226  
1 1 1 -24 22 21 o 11.37345 0.9453862 1.209126       0.2070256 1.798238       0.3461868 0.8811539      0.2583031 4.017170       1.890772  
1 1 1 -24 22 22 f 10.44180 1.148448  1.211913       0.2145673 0.8019904      0.3415034 1.479284       0.2758043 -3.402561      2.296897  
1 1 1 -24 22 23 o 32.02961 0.6552066 10.29088       0.4188367 10.11480       0.6095297 10.44838       0.5764984 -0.5245457     1.310413  
1 1 1 -24 22 24 o 38.57279 0.6831276 14.91686       0.5265822 14.16596       0.7417308 15.67991       0.7477044 -1.961742      1.366255  
1 1 1 -24 22 25 o 27.40498 0.7495621 7.669666       0.4033236 6.361811       0.5924428 8.799395       0.5506219 -4.452854      1.499124  
1 1 1 -24 22 26 o 28.70359 0.7693691 8.119781       0.4231564 8.760705       0.7206907 7.782568       0.5227539 1.676107       1.538738  
1 1 1 -24 22 27 o 29.59343 0.7938903 8.885229       0.4568378 8.345025       0.7253394 9.240414       0.5881507 -1.533157      1.587781  
1 1 1 -24 22 28 o 14.50584 1.156723  2.244933       0.3126321 1.714615       0.5089337 2.566327       0.3961974 -2.960056      2.313446  
1 1 1 -24 22 29 o 10.90003 1.478313  1.266683       0.2931815 1.114166       0.5140680 1.340205       0.3569182 -1.275819      2.956625  
1 1 1 -24 22 30 o 37.66518 0.8736187 14.27853       0.6554199 13.87900       0.9637686 14.62229       0.8939693 -0.9989624     1.747237  
1 1 1 -24 22 31 o 7.694711 1.800310  0.5210850      0.3018401 0.7642923      0.5531412 0.4179562      0.3601949 2.065737       3.600620  
1 1 1 -24 22 32 o 24.00947 0.9324480 5.648182       0.4354444 6.418994       0.7210668 5.205725       0.5463076 2.490227       1.864896  
1 1 1 -24 22 33 o 36.87607 0.8952032 13.60325       0.6536482 14.10338       1.005254  13.23690       0.8603623 1.146210       1.790406  
1 1 1 -24 22 34 o 20.76398 1.012122  4.227801       0.4104633 4.847665       0.6722667 3.859375       0.5182846 2.345091       2.024244  
1 1 1 -24 22 35 o 29.74379 0.9181634 8.885556       0.5391230 8.956968       0.8335064 8.834190       0.7069090 0.1797314      1.836327  
1 1 1 -24 22 36 o 35.82208 0.9214439 12.92555       0.6542491 12.75786       0.9903730 13.05540       0.8714836 -0.4415398     1.842888  
1 1 1 -24 22 37 o 29.64204 1.509662  8.857951       0.8949889 8.857951       0.8949889 ?              ?         ?              ?         
1 1 1 -24 22 38 o 30.83796 0.9673392 9.357750       0.5828857 10.55207       0.9513453 8.639943       0.7375328 3.049406       1.934678  
1 1 1 -24 22 39 o 38.36159 0.9669247 14.79126       0.7335489 14.95404       1.127404  14.67176       0.9659904 0.3293571      1.933849  
1 1 1 -24 23 1  o 35.80679 1.305834  12.94292       0.9332989 13.94142       1.324684  11.95875       1.315136  2.766346       2.611667  
1 1 1 -24 23 2  o 19.97294 1.756452  4.068441       0.6968936 4.231544       0.9446360 3.873662       1.032301  0.9230804      3.512905  
1 1 1 -24 23 3  o 30.54893 1.353101  9.372650       0.8245923 8.782675       1.118519  10.07503       1.220433  -2.090868      2.706203  
1 1 1 -24 23 4  o 45.36661 1.259076  20.74187       1.142303  20.90383       1.628270  20.58492       1.602950  0.3458595      2.518153  
1 1 1 -24 23 5  o 60.52777 1.902047  0.000000       0.000000  ?              ?         36.96657       2.302533  ?              ?         
1 1 1 -24 23 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 8  o 9.554536 3.510484  0.7661636      0.8802977 0.7661636      0.8802977 ?              ?         ?              ?         
1 1 1 -24 23 9  o 18.97016 1.777687  3.659943       0.6719703 3.277116       0.9437684 4.053570       0.9569885 -2.042393      3.555374  
1 1 1 -24 23 10 o 12.17686 2.106930  1.439641       0.6047205 0.2175331      0.8426964 2.737096       0.8682852 -8.449669      4.213859  
1 1 1 -24 23 11 o 35.48671 1.267207  12.68683       0.8986229 13.43172       1.286221  11.97653       1.256007  2.043587       2.534414  
1 1 1 -24 23 12 f 9.074278 2.256476  0.3962684      0.5982356 -0.5454103     0.8190812 1.472960       0.8758330 -5.542089      4.512952  
1 1 1 -24 23 13 o 38.76525 1.250928  15.15007       0.9690927 15.88095       1.373515  14.42558       1.367513  1.875839       2.501855  
1 1 1 -24 23 14 o 26.33296 1.443291  6.959274       0.7505325 8.632950       1.109501  5.547277       1.019081  5.836184       2.886582  
1 1 1 -24 23 15 o 25.29673 1.452211  6.470739       0.7342311 6.272514       1.045793  6.663426       1.031082  -0.7764168     2.904422  
1 1 1 -24 23 16 o 75.38823 0.9156465 56.97381       1.379090  59.13407       2.008210  55.04582       1.897177  2.693535       1.831293  
1 1 1 -24 23 17 o 58.00906 0.7762771 33.59781       0.8981838 35.84533       1.331542  31.72136       1.216664  3.538841       1.552554  
1 1 1 -24 23 18 f 37.99635 0.6458608 14.43011       0.4900300 15.12090       0.7181695 13.82831       0.6703166 1.695473       1.291722  
1 1 1 -24 23 19 o 65.47031 1.119319  43.26666       1.328988  43.45220       1.578631  42.81520       2.462481  0.6580048      2.238638  
1 1 1 -24 23 20 o 25.86231 0.6595119 6.719411       0.3379865 6.580573       0.5111668 6.827263       0.4505259 -0.4840889     1.319024  
1 1 1 -24 23 21 o 30.49068 0.7083071 9.425488       0.4241231 8.705022       0.6507861 9.957407       0.5591832 -2.065439      1.416614  
1 1 1 -24 23 22 o 10.44752 2.139591  0.8053949      0.3441831 0.6733025      0.3672278 1.759872       0.9871415 -4.835405      4.279182  
1 1 1 -24 23 23 o 12.15425 1.876391  2.062600       0.3833503 2.401979       0.4224573 0.4799267      0.9122962 6.610274       3.752782  
1 1 1 -24 23 24 o 23.35194 1.591451  5.491372       0.7432693 5.491372       0.7432693 ?              ?         ?              ?         
1 1 1 -24 23 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 23 35 o 20.68885 2.242801  4.356680       0.9280193 4.356680       0.9280193 ?              ?         ?              ?         
1 1 1 -24 23 36 o 52.56802 2.076584  28.04498       2.183238  28.04498       2.183238  ?              ?         ?              ?         
1 1 1 -24 23 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 24 1  o 25.32059 2.378827  6.320669       1.166584  5.512254       1.446721  7.823486       1.972517  -4.314753      4.757654  
1 1 1 -24 24 2  o 14.86019 5.099760  0.000000       0.000000  ?              ?         2.236667       1.830376  ?              ?         
1 1 1 -24 24 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 24 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 24 5  o 39.28040 2.825289  15.76024       2.219569  15.76024       2.219569  ?              ?         ?              ?         
1 1 1 -24 24 6  o 25.72692 1.879297  6.568053       0.9283231 7.364453       1.584089  6.151482       1.145668  2.202703       3.758593  
1 1 1 -24 24 7  o 77.24049 1.806778  58.99055       2.576406  65.14103       4.744197  56.41795       3.068279  5.087082       3.613556  
1 1 1 -24 24 8  o 21.19470 2.144150  4.270969       0.8576404 5.630965       1.556896  3.678482       1.027614  4.394072       4.288300  
1 1 1 -24 24 9  o 42.13445 1.585103  17.66927       1.249121  18.88541       2.230213  17.11338       1.507815  1.892971       3.170206  
1 1 1 -24 24 10 o 54.87685 1.633279  29.97715       1.657780  32.00998       3.020685  29.10098       1.983115  2.341030       3.266558  
1 1 1 -24 24 11 o 25.19096 2.119947  0.000000       0.000000  ?              ?         6.420529       1.068070  ?              ?         
1 1 1 -24 24 12 o 36.47589 1.821717  0.000000       0.000000  ?              ?         13.42086       1.328975  ?              ?         
1 1 1 -24 24 13 o 29.91238 1.965048  0.000000       0.000000  ?              ?         9.038660       1.175585  ?              ?         
1 1 1 -24 24 14 o 36.72842 1.843709  0.000000       0.000000  ?              ?         13.61158       1.354330  ?              ?         
1 1 1 -24 24 15 o 74.54853 2.761667  0.000000       0.000000  ?              ?         56.71106       4.117564  ?              ?         
1 1 1 -24 24 16 o 40.61654 0.7484177 16.54773       0.6079391 16.41038       0.8607852 16.68443       0.8587300 -0.3376503     1.496835  
1 1 1 -24 24 17 o 66.56299 1.082353  44.55644       1.439947  45.50403       2.082076  43.68768       1.993589  1.345802       2.164706  
1 1 1 -24 24 18 o 27.89096 0.6740807 7.809827       0.3754596 7.504942       0.5386059 8.098036       0.5236690 -1.065212      1.348161  
1 1 1 -24 24 19 o 16.72641 1.097403  2.807176       0.3671122 2.807176       0.3671122 ?              ?         ?              ?         
1 1 1 -24 24 20 o 48.74728 0.8821236 23.66410       0.8561333 21.70593       1.146614  26.13121       1.287025  -4.514317      1.764247  
1 1 1 -24 24 21 o 13.49952 0.8834707 1.808881       0.2343319 1.942345       0.3730429 1.721892       0.3011663 0.8038235      1.766941  
1 1 1 -24 24 22 o 27.17180 0.7455655 7.435332       0.4032465 6.655674       0.5735571 8.197407       0.5670521 -2.837988      1.491131  
1 1 1 -24 24 23 o 14.97404 0.9328912 2.290468       0.2701233 2.099665       0.4317769 2.413169       0.3462511 -1.063327      1.865782  
1 1 1 -24 24 24 o 27.30775 0.7760272 7.522878       0.4214225 7.023345       0.6164951 7.961047       0.5773882 -1.723537      1.552054  
1 1 1 -24 24 25 o 21.02778 0.8740345 4.599692       0.3506137 3.063633       0.5009103 6.075127       0.4909258 -7.162611      1.748069  
1 1 1 -24 24 26 o 33.61340 0.8222976 11.30510       0.5491503 11.69471       0.8314952 11.00369       0.7313412 1.009655       1.644595  
1 1 1 -24 24 27 o 48.73177 0.9370629 23.77621       0.9111697 21.78603       1.245787  26.06550       1.336128  -4.372189      1.874126  
1 1 1 -24 24 28 f 51.07658 0.9633366 26.08760       0.9784876 27.63341       1.479881  24.88688       1.304275  2.650650       1.926673  
1 1 1 -24 24 29 o 17.46157 1.053007  3.134500       0.3545540 2.809186       0.5664521 3.344044       0.4546224 -1.558155      2.106014  
1 1 1 -24 24 30 o 24.75425 0.8958188 6.137191       0.4352495 6.282344       0.6884475 6.040543       0.5617646 0.4615116      1.791638  
1 1 1 -24 24 31 o 11.21254 1.573602  1.533978       0.3274062 0.6681378      0.5505304 2.007786       0.4072521 -5.811140      3.147204  
1 1 1 -24 24 32 o 39.07318 0.9072520 15.42820       0.7055055 14.33824       1.025099  16.40908       0.9724528 -2.661919      1.814504  
1 1 1 -24 24 33 o 25.54125 0.9464693 6.581542       0.4710428 6.484532       0.7536588 6.643730       0.6034228 -0.3461399     1.892939  
1 1 1 -24 24 34 o 62.75390 1.117864  39.72887       1.401668  39.64602       2.025723  39.80498       1.941475  -0.1499863     2.235728  
1 1 1 -24 24 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 25 16 o 36.45495 0.9958194 13.32939       0.7260509 13.32939       0.7260509 ?              ?         ?              ?         
1 1 1 -24 25 17 o 36.85259 0.7265837 13.42470       0.5315338 11.87665       0.7027702 15.49403       0.8125222 -4.890541      1.453167  
1 1 1 -24 25 18 o 45.10583 0.8221855 20.42993       0.7416388 20.04271       1.044130  20.82421       1.053605  -0.8645668     1.644371  
1 1 1 -24 25 19 o 23.42284 1.001358  5.503693       0.4690933 5.503693       0.4690933 ?              ?         ?              ?         
1 1 1 -24 25 20 o 5.772149 1.343368  0.2825370      0.1771968 0.4725533      0.2978019 0.1783905      0.2204724 2.042846       2.686737  
1 1 1 -24 25 21 o 24.95475 0.7249741 6.289981       0.3588639 5.422668       0.5114601 7.131011       0.5036505 -3.424124      1.449948  
1 1 1 -24 25 22 o 41.40663 0.8225474 17.22625       0.6807572 16.58453       0.9649784 17.86204       0.9605094 -1.543449      1.645095  
1 1 1 -24 25 23 o 9.229862 1.270885  0.7905555      0.2243000 1.343560       0.3814300 0.4982425      0.2773160 4.623682       2.541770  
1 1 1 -24 25 24 o 7.697556 1.440128  0.5456858      0.2237055 0.9322753      0.3835299 0.3463419      0.2754074 3.419324       2.880256  
1 1 1 -24 25 25 o 16.09159 0.9610431 2.768905       0.2902723 1.925038       0.4467178 3.385585       0.3818795 -4.551880      1.922086  
1 1 1 -24 25 26 o 46.34000 0.9057787 21.57934       0.8386692 20.28993       1.171560  22.93462       1.201107  -2.847229      1.811557  
1 1 1 -24 25 27 o 22.27668 0.8874148 4.899691       0.3857572 5.390025       0.6297182 4.605160       0.4880512 1.730724       1.774830  
1 1 1 -24 25 28 o 33.12326 0.8614933 11.07578       0.5659252 9.370245       0.7955722 12.82281       0.8051928 -5.209620      1.722987  
1 1 1 -24 25 29 o 52.06552 0.9780539 27.23274       1.014805  27.94769       1.508292  26.64142       1.371712  1.221260       1.956108  
1 1 1 -24 25 30 o 35.76030 0.8704214 12.91073       0.6194613 12.12466       0.9042460 13.60587       0.8503383 -2.082428      1.740843  
1 1 1 -24 25 31 o 6.616348 1.675264  0.3766229      0.2956963 -0.1331307E-01 0.5182626 0.5648246      0.3600518 -1.602933      3.350528  
1 1 1 -24 25 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 26 17 o 41.60879 0.7706408 17.33475       0.6400350 18.05078       0.9416082 16.71982       0.8726164 1.587311       1.541282  
1 1 1 -24 26 18 o 14.04411 0.7300050 1.869790       0.1990496 2.638358       0.3263500 1.414502       0.2511801 4.344664       1.460010  
1 1 1 -24 26 19 o 17.73509 1.076250  3.157284       0.3817480 3.157284       0.3817480 ?              ?         ?              ?         
1 1 1 -24 26 20 o 7.110516 1.283087  0.5502048      0.1850654 0.3840646      0.2935442 0.6598018      0.2384161 -1.694465      2.566175  
1 1 1 -24 26 21 o 26.22824 0.7265292 6.940004       0.3789289 6.191032       0.5421712 7.655228       0.5298152 -2.793406      1.453058  
1 1 1 -24 26 22 o 64.97577 1.086849  42.52295       1.410877  43.46535       2.051464  41.67715       1.943477  1.347092       2.173698  
1 1 1 -24 26 23 f 29.21761 0.7668546 8.616639       0.4452984 8.085410       0.6549015 9.073424       0.6072848 -1.699940      1.533709  
1 1 1 -24 26 24 o 45.91920 0.8813773 21.18961       0.8079120 21.40252       1.182032  21.00294       1.106796  0.4184227      1.762755  
1 1 1 -24 26 25 o 8.576841 1.493780  0.8085827      0.2472235 0.6293916      0.4306212 0.8966818      0.3019416 -1.408407      2.987561  
1 1 1 -24 26 26 o 28.15740 0.8348985 8.041052       0.4638950 7.437841       0.7002419 8.512849       0.6192853 -1.925289      1.669797  
1 1 1 -24 26 27 o 28.94000 0.8565620 8.533423       0.4888403 7.198670       0.7106782 9.732074       0.6734707 -4.384802      1.713124  
1 1 1 -24 26 28 o 23.76037 1.122006  0.000000       0.000000  ?              ?         5.671319       0.5331857 ?              ?         
1 1 1 -24 27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 27 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -24 28 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 0  1  o 18.77854 0.8898712 3.574188       0.3305626 3.584766       0.4822597 3.564813       0.4539920 -0.000000      0.000000  
1 1 1 -23 0  2  o 92.00179 1.447032  84.69975       2.656161  87.44153       3.877999  82.27682       3.645527  -0.000000      0.000000  
1 1 1 -23 0  3  o 32.75079 0.8093440 10.76482       0.5285904 10.44466       0.7410453 11.09644       0.7542079 -0.000000      0.000000  
1 1 1 -23 0  4  o 81.03017 1.300762  65.79922       2.105525  66.02575       2.992616  65.57716       2.962930  -0.000000      0.000000  
1 1 1 -23 0  5  o 46.33226 0.8945603 21.51654       0.8274885 21.18285       1.160548  21.86163       1.180190  -0.000000      0.000000  
1 1 1 -23 0  6  o 8.221308 1.651891  0.8499701      0.2571640 1.259752       0.3697096 0.4658520      0.3579451 -0.000000      0.000000  
1 1 1 -23 0  7  o 9.031021 1.635289  0.9845114      0.2594655 1.289907       0.3669687 0.6792122      0.3669107 -0.000000      0.000000  
1 1 1 -23 0  8  o 50.76652 0.9405292 25.82457       0.9532084 26.16577       1.368190  25.50275       1.328756  -0.000000      0.000000  
1 1 1 -23 0  9  f 61.15461 1.055392  37.44820       1.288338  38.33915       1.862117  36.63012       1.784343  -0.000000      0.000000  
1 1 1 -23 0  10 o 59.44456 1.036312  35.39550       1.229950  36.06219       1.768770  34.77130       1.711470  -0.000000      0.000000  
1 1 1 -23 0  11 o 37.37407 0.8375046 14.01358       0.6246366 14.00740       0.8835867 14.01976       0.8831525 -0.000000      0.000000  
1 1 1 -23 0  12 o 82.26378 1.323912  67.79182       2.174947  68.80711       3.125124  66.83817       3.028817  -0.000000      0.000000  
1 1 1 -23 0  13 o 47.70668 0.9238214 22.81629       0.8799688 22.63107       1.240199  23.00407       1.248772  -0.000000      0.000000  
1 1 1 -23 0  14 o 37.56158 0.8552248 14.15009       0.6408672 14.51723       0.9171367 13.79977       0.8958831 -0.000000      0.000000  
1 1 1 -23 0  15 f 19.43451 0.9304239 3.825099       0.3573287 3.766965       0.4863647 3.893283       0.5267230 -0.000000      0.000000  
1 1 1 -23 0  16 o 5.859666 2.055218  0.5079653      0.2868007 0.5221542      0.3751728 0.4880148      0.4448704 -0.000000      0.000000  
1 1 1 -23 0  17 o 23.82469 0.9018720 5.733247       0.4261124 5.833139       0.5859843 5.621152       0.6207449 -0.000000      0.000000  
1 1 1 -23 0  18 o 151.6373 2.289202  230.7334       6.935217  229.2056       9.751944  232.2968       9.864786  -0.000000      0.000000  
1 1 1 -23 0  19 f 7.828555 1.920739  0.7557384      0.2983510 0.4197740      0.3865357 1.250888       0.4692574 -0.000000      0.000000  
1 1 1 -23 0  20 o 61.57159 1.084410  38.00023       1.333480  38.09758       1.895802  37.90489       1.876005  -0.000000      0.000000  
1 1 1 -23 0  21 o 18.71526 1.016058  3.620713       0.3694884 4.053030       0.5025292 3.111975       0.5451389 -0.000000      0.000000  
1 1 1 -23 0  22 o 65.50774 1.125163  42.91317       1.469688  41.38044       2.008433  44.67997       2.156346  -0.000000      0.000000  
1 1 1 -23 0  23 o 133.9881 2.039696  180.0322       5.457555  183.4736       7.868521  176.8418       7.576081  -0.000000      0.000000  
1 1 1 -23 0  24 o 10.72936 1.817886  1.360259       0.3358883 1.601382       0.4588387 1.081851       0.4930388 -0.000000      0.000000  
1 1 1 -23 0  25 f 117.8888 1.816983  139.4360       4.279503  139.2819       6.045201  139.5907       6.059083  -0.000000      0.000000  
1 1 1 -23 0  26 o 21.08382 1.002750  4.513259       0.4143881 5.368012       0.5983480 3.725424       0.5744491 -0.000000      0.000000  
1 1 1 -23 0  27 o 21.17384 0.9665859 4.532150       0.4053813 4.291639       0.5589335 4.799073       0.5888252 -0.000000      0.000000  
1 1 1 -23 0  28 o 34.14389 0.8978940 11.69852       0.6108960 12.27696       0.8803599 11.16132       0.8484009 -0.000000      0.000000  
1 1 1 -23 0  29 o 49.55824 1.219535  24.43324       1.124860  24.01552       1.359253  25.34098       2.003736  -0.000000      0.000000  
1 1 1 -23 0  30 f 3.224112 2.227244  -0.2915757     0.4547411 -0.2915757     0.4547411 -0.2915757     0.4547411 -0.000000      0.000000  
1 1 1 -23 0  31 o 35.52901 2.088794  12.77403       1.473577  12.77403       1.473577  12.77403       1.473577  -0.000000      0.000000  
1 1 1 -23 0  32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 0  33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 0  34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 0  35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 0  36 o 13.05707 3.986122  2.128929       0.9073014 2.128929       0.9073014 2.128929       0.9073014 -0.000000      0.000000  
1 1 1 -23 0  37 o 70.74812 1.731207  50.22272       2.446337  50.22272       2.446337  50.22272       2.446337  -0.000000      0.000000  
1 1 1 -23 0  38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 0  39 o 24.49222 1.062382  6.071899       0.5161458 6.158373       0.7424604 5.991022       0.7180331 -0.000000      0.000000  
1 1 1 -23 0  40 o 34.43839 0.9729378 11.89575       0.6667108 12.58617       0.9774947 11.29518       0.9116846 -0.000000      0.000000  
1 1 1 -23 0  41 f 37.84785 0.9691915 14.40325       0.7313734 14.09542       1.036088  14.70899       1.032558  -0.000000      0.000000  
1 1 1 -23 0  42 o 6.863980 2.337965  0.6753326      0.3876854 0.4365077      0.5377878 0.9337295      0.5593901 -0.000000      0.000000  
1 1 1 -23 0  43 o 8.091098 2.366146  0.9149146      0.3879960 0.7178032      0.5312853 1.140185       0.5679681 -0.000000      0.000000  
1 1 1 -23 0  44 o 47.70068 1.037370  22.76975       0.9852215 24.15726       1.456560  21.59955       1.337649  -0.000000      0.000000  
1 1 1 -23 0  45 o 11.11330 2.076244  1.476072       0.4069104 1.026209       0.5513178 2.014366       0.6030754 -0.000000      0.000000  
1 1 1 -23 0  46 o 8.897085 2.390502  1.074435       0.4183249 0.7712423      0.5758188 1.413306       0.6087559 -0.000000      0.000000  
1 1 1 -23 0  47 f 4.759157 2.056685  0.8810464E-01  0.3999487 0.4828453      0.5489420 -0.3585144     0.5839010 -0.000000      0.000000  
1 1 1 -23 0  48 o 8.953901 2.456704  1.112106       0.4289645 1.325191       0.6020773 0.8924263      0.6113233 -0.000000      0.000000  
1 1 1 -23 0  49 o 41.56968 1.041700  17.35848       0.8629141 18.11168       1.252777  16.67854       1.190308  -0.000000      0.000000  
1 1 1 -23 0  50 o 28.89547 1.094229  8.429540       0.6277864 7.904835       0.8682396 9.004411       0.9087965 -0.000000      0.000000  
1 1 1 -23 0  51 o 36.53899 1.065963  13.39360       0.7742492 14.60180       1.139832  12.35855       1.054991  -0.000000      0.000000  
1 1 1 -23 0  52 o 57.54029 1.162345  33.30383       1.335055  33.49434       1.905398  33.12011       1.871174  -0.000000      0.000000  
1 1 1 -23 0  53 o 34.07767 1.095074  11.72374       0.7429322 11.71026       1.059430  11.73678       1.042114  -0.000000      0.000000  
1 1 1 -23 0  54 o 19.39595 1.481345  3.915942       0.5626062 3.925603       0.8077821 3.906839       0.7840395 -0.000000      0.000000  
1 1 1 -23 0  55 o 65.03795 1.260750  42.59274       1.636592  42.98380       2.351312  42.22525       2.279346  -0.000000      0.000000  
1 1 1 -23 0  56 o 9.214315 5.448109  1.100983       1.693226  1.100983       1.693226  1.100983       1.693226  -0.000000      0.000000  
1 1 1 -23 0  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 1  1  o 164.3142 1.738835  270.6696       5.714110  269.4519       8.041265  271.9116       8.121273  -0.7443085     3.477669  
1 1 1 -23 1  2  o 92.72488 1.027860  85.96386       1.904673  83.94227       2.631436  88.18848       2.760419  -2.285896      2.055721  
1 1 1 -23 1  3  o 13.30752 0.7509040 1.773514       0.1996064 1.679578       0.2832193 1.866223       0.2813622 -0.7013149     1.501808  
1 1 1 -23 1  4  o 108.0751 1.176167  116.4500       2.534119  111.3919       3.422591  122.5874       3.770136  -5.168724      2.352334  
1 1 1 -23 1  5  o 72.57083 0.8421263 52.51468       1.219237  50.31954       1.655054  55.11966       1.802947  -3.304008      1.684253  
1 1 1 -23 1  6  o 158.9181 1.683644  252.5439       5.342058  244.8535       7.303321  261.3931       7.834209  -5.181473      3.367289  
1 1 1 -23 1  7  o 36.96331 0.5810217 13.66438       0.4295028 13.50055       0.6034318 13.83260       0.6114653 -0.4490471     1.162043  
1 1 1 -23 1  8  o 82.80873 0.9357890 68.58642       1.549353  67.55682       2.158967  69.67970       2.224746  -1.280289      1.871578  
1 1 1 -23 1  9  o 46.89502 0.6386375 21.99392       0.5989209 21.73804       0.8399074 22.25863       0.8542795 -0.5548401     1.277275  
1 1 1 -23 1  10 o 60.27877 0.7386987 36.29501       0.8896992 35.17449       1.225793  37.54250       1.293375  -1.963001      1.477397  
1 1 1 -23 1  11 o 110.6271 1.203332  122.2888       2.658670  126.4001       3.886137  118.6714       3.645265  3.486115       2.406664  
1 1 1 -23 1  12 o 26.15448 0.5856765 6.823673       0.3059236 6.379627       0.4209051 7.320945       0.4454173 -1.799181      1.171353  
1 1 1 -23 1  13 o 67.85046 0.8049368 45.62962       1.085265  49.75377       1.652917  42.50454       1.438847  5.337784       1.609874  
1 1 1 -23 1  14 o 39.26523 0.6043785 15.39955       0.4742799 16.13011       0.6855851 14.72904       0.6568063 1.783672       1.208757  
1 1 1 -23 1  15 o 76.93193 0.8868363 58.97562       1.360395  56.26575       1.839237  62.24892       2.021419  -3.884407      1.773673  
1 1 1 -23 1  16 f 54.35863 0.7029868 29.55746       0.7642347 29.80441       1.087013  29.31609       1.074674  0.4489326      1.405974  
1 1 1 -23 1  17 o 56.12793 0.7210394 31.40174       0.8075911 33.20800       1.191998  29.86913       1.097996  2.972443       1.442079  
1 1 1 -23 1  18 o 145.6259 1.553564  212.4868       4.524652  213.4161       6.428116  211.5743       6.369929  0.6297455      3.107127  
1 1 1 -23 1  19 o 150.7234 1.604898  227.6532       4.837356  225.7425       6.779608  229.6348       6.904201  -1.285034      3.209796  
1 1 1 -23 1  20 o 46.10722 0.6516525 21.19974       0.5997892 20.20160       0.8181144 22.35968       0.8819364 -2.338951      1.303305  
1 1 1 -23 1  21 o 34.01089 0.6073246 11.55373       0.4127955 11.07823       0.5707422 12.07531       0.5977561 -1.465282      1.214649  
1 1 1 -23 1  22 o 97.20296 1.078870  94.50247       2.095890  96.78297       3.034011  92.42085       2.898689  2.238892       2.157740  
1 1 1 -23 1  23 o 39.57579 0.6370004 15.66138       0.5040746 16.02266       0.7224565 15.31865       0.7036535 0.8890190      1.274001  
1 1 1 -23 1  24 o 121.5006 1.420292  148.3404       3.433369  143.5732       5.075588  152.3620       4.661794  -3.638474      2.840584  
1 1 1 -23 1  25 f 36.01615 0.7522334 13.20274       0.5183535 12.18243       0.8517929 13.80281       0.6532329 -2.255470      1.504467  
1 1 1 -23 1  26 o 87.42463 1.401341  76.55833       2.448850  78.25755       3.535853  74.99193       3.394843  1.859055       2.802681  
1 1 1 -23 1  27 o 30.12452 0.8686495 9.085895       0.5232196 9.256002       0.7367367 8.912791       0.7431940 0.5699062      1.737299  
1 1 1 -23 1  28 o 152.4283 2.309339  233.6116       7.031188  240.6879       10.25872  227.3426       9.655845  4.313049       4.618679  
1 1 1 -23 1  29 o 43.20338 0.9216168 18.44049       0.7908574 16.53618       1.047104  20.96941       1.206675  -5.123524      1.843234  
1 1 1 -23 1  30 o 87.71661 1.216775  77.78335       2.042626  79.51959       2.558221  74.72955       3.392764  2.781578       2.433549  
1 1 1 -23 1  31 o 31.57680 0.7679250 9.833003       0.4605459 9.527418       0.5642544 10.44285       0.7971151 -1.440054      1.535850  
1 1 1 -23 1  32 o 49.46127 0.6956980 24.44593       0.6875663 23.65861       0.9477581 25.32068       0.9989951 -1.678207      1.391396  
1 1 1 -23 1  33 f 33.48777 0.6413393 11.21855       0.4294726 11.02969       0.6009237 11.41574       0.6140200 -0.5759087     1.282679  
1 1 1 -23 1  34 o 38.02267 0.6520802 14.45044       0.4955575 15.00008       0.7164580 13.94628       0.6861711 1.384491       1.304160  
1 1 1 -23 1  35 o 45.09352 0.6758028 20.33570       0.6091179 19.89122       0.8438017 20.81936       0.8801961 -1.027401      1.351606  
1 1 1 -23 1  36 f 47.52003 0.8560660 22.87327       0.7716225 23.46223       0.9574174 21.78169       1.303427  1.788658       1.712132  
1 1 1 -23 1  37 o 98.50031 1.366251  97.07408       2.521179  96.45089       3.064380  98.37968       4.435396  -0.8388519     2.732502  
1 1 1 -23 1  38 o 34.26525 0.8951658 11.88044       0.6053132 12.64029       0.8095813 10.91714       0.9115456 2.521923       1.790332  
1 1 1 -23 1  39 o 71.10222 1.234539  50.71562       1.754923  51.88314       2.524099  49.62315       2.441628  1.580299       2.469078  
1 1 1 -23 1  40 o 37.17323 0.9690206 13.77531       0.7183653 15.02200       1.064650  12.73334       0.9733250 3.069801       1.938041  
1 1 1 -23 1  41 o 77.31821 1.314265  60.07958       2.032234  60.68175       2.891155  59.49149       2.857171  0.7650681      2.628529  
1 1 1 -23 1  42 o 38.22847 0.9745041 14.42827       0.7392554 12.61917       0.9774634 16.84592       1.129971  -5.512299      1.949008  
1 1 1 -23 1  43 o 32.19960 0.9901192 10.38937       0.6369539 11.08779       0.9164259 9.736671       0.8859258 2.094557       1.980238  
1 1 1 -23 1  44 f 55.48810 1.089725  30.91669       1.209306  30.88324       1.703951  30.95064       1.716554  -0.5903625E-01 2.179449  
1 1 1 -23 1  45 o 41.05017 0.9369644 16.58040       0.7475208 18.25467       1.234319  15.61067       0.9393812 3.183994       1.873929  
1 1 1 -23 1  46 o 6.737030 1.665770  0.3324170      0.3276179 -0.4008359     0.5603974 0.7131528      0.4038137 -3.103593      3.331539  
1 1 1 -23 1  47 f 19.10798 1.073952  3.336957       0.3889597 4.809514       0.7009378 2.681760       0.4675511 5.531534       2.147904  
1 1 1 -23 1  48 o 49.03172 0.9251244 24.05770       0.8536081 24.33063       1.487979  23.92383       1.042146  0.3550148      1.850249  
1 1 1 -23 1  49 o 30.48943 0.7984927 9.228400       0.4823177 9.989196       0.7452489 8.680064       0.6326901 2.132376       1.596985  
1 1 1 -23 1  50 o 36.98450 0.7395101 13.70132       0.5466290 14.08762       0.7912337 13.34859       0.7560654 0.9945602      1.479020  
1 1 1 -23 1  51 o 5.397453 1.635282  -0.3213139E-01 0.3172312 0.7708010E-01  0.4546103 -0.1357819     0.4428847 0.6949334      3.270565  
1 1 1 -23 1  52 o 41.72584 0.7622585 17.46400       0.6361079 17.40926       0.9011548 17.51836       0.8980381 -0.1311836     1.524517  
1 1 1 -23 1  53 o 12.74311 1.457821  1.703461       0.3483527 1.091610       0.4832611 2.365256       0.5025980 -5.156749      2.915642  
1 1 1 -23 1  54 o 6.969676 1.787687  0.3891311      0.3281209 0.5763041      0.4708182 0.2123720      0.4575332 1.519644       3.575375  
1 1 1 -23 1  55 o 29.61823 0.8393816 8.790350       0.4963197 8.082384       0.6854150 9.570781       0.7196390 -2.506311      1.678763  
1 1 1 -23 1  56 o 7.826591 3.034403  0.4170382      0.6792870 0.4170382      0.6792870 ?              ?         ?              ?         
1 1 1 -23 1  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 2  1  o 100.4345 1.102282  100.9593       2.213850  99.96960       3.100551  101.9886       3.162067  -1.003098      2.204564  
1 1 1 -23 2  2  o 92.87522 1.029153  86.23058       1.909901  88.62983       2.773725  84.06742       2.633725  2.451996       2.058306  
1 1 1 -23 2  3  o 58.08870 0.7165035 33.60995       0.8300304 31.91227       1.123142  35.65296       1.232089  -3.217621      1.433007  
1 1 1 -23 2  4  o 102.1714 1.119633  104.1318       2.281603  99.95711       3.091844  109.1233       3.380834  -4.476936      2.239267  
1 1 1 -23 2  5  o 160.2546 1.698378  256.6330       5.430427  247.4494       7.380258  267.4750       8.019011  -6.219650      3.396756  
1 1 1 -23 2  6  o 152.9801 1.624536  234.3232       4.967726  230.1164       6.890403  238.8767       7.168712  -2.851624      3.249073  
1 1 1 -23 2  7  o 150.9539 1.604315  228.2692       4.843221  226.7925       6.801962  229.7878       6.897741  -0.9882507     3.208630  
1 1 1 -23 2  8  o 58.58158 0.7274318 34.32982       0.8522406 34.42306       1.211956  34.23862       1.198655  0.1571693      1.454864  
1 1 1 -23 2  9  o 180.8022 1.906646  327.6528       6.893227  331.2401       9.863229  324.2276       9.637673  1.928665       3.813292  
1 1 1 -23 2  10 o 100.6956 1.106237  101.4402       2.227141  99.90894       3.102311  103.0687       3.199231  -1.566322      2.212474  
1 1 1 -23 2  11 o 65.32549 0.7874749 42.05944       1.018786  38.41296       1.332058  47.19865       1.581371  -6.719681      1.574950  
1 1 1 -23 2  12 o 169.1369 1.790177  286.4473       6.050812  293.2267       8.770755  280.2903       8.358410  3.805740       3.580353  
1 1 1 -23 2  13 o 86.34868 0.9733421 74.42959       1.677904  77.52826       2.464233  71.75116       2.291049  3.340927       1.946684  
1 1 1 -23 2  14 o 99.76784 1.099525  99.06861       2.184440  105.3882       3.278534  94.02333       2.929395  5.685677       2.199050  
1 1 1 -23 2  15 o 25.35745 0.6012711 6.412681       0.3044813 6.036521       0.4176218 6.839531       0.4448722 -1.582943      1.202542  
1 1 1 -23 2  16 o 81.86583 0.9327168 66.49955       1.517649  62.30284       2.014751  72.00429       2.307466  -5.917656      1.865434  
1 1 1 -23 2  17 o 146.8957 1.565388  216.1514       4.597880  218.9461       6.589399  213.4995       6.418728  1.846222       3.130777  
1 1 1 -23 2  18 o 114.6611 1.245560  131.4543       2.853000  127.9341       3.922256  135.4093       4.157516  -3.250877      2.491119  
1 1 1 -23 2  19 o 50.01000 0.6762481 24.92916       0.6749046 26.38857       0.9955736 23.68818       0.9180511 2.698204       1.352496  
1 1 1 -23 2  20 o 76.88423 1.083871  59.45171       1.584564  58.27856       2.683679  60.07961       1.963334  -1.196335      2.167742  
1 1 1 -23 2  21 o 34.99444 0.8588457 11.93622       0.5928702 14.98726       0.9234476 9.796768       0.7732860 7.411871       1.717691  
1 1 1 -23 2  22 o 81.85866 1.320249  67.08764       2.160638  65.99335       3.005522  68.25802       3.108274  -1.378662      2.640498  
1 1 1 -23 2  23 o 147.6665 2.231905  219.1363       6.591512  219.4879       9.340530  218.7876       9.303194  0.2341614      4.463809  
1 1 1 -23 2  24 o 33.75387 0.8517279 11.40226       0.5749108 11.41152       0.8068836 11.39271       0.8193530 0.2826309E-01  1.703456  
1 1 1 -23 2  25 o 89.04080 1.235525  78.55082       2.046772  77.08823       2.464954  81.79836       3.673032  -2.583656      2.471050  
1 1 1 -23 2  26 o 18.84676 0.7595587 3.568832       0.2847482 3.719240       0.3881695 3.393597       0.4189830 0.8649540      1.519117  
1 1 1 -23 2  27 f 61.11500 0.7653235 37.33170       0.9347258 36.23570       1.291085  38.53897       1.355036  -1.882156      1.530647  
1 1 1 -23 2  28 o 23.50020 0.6694427 5.521903       0.3130314 4.794906       0.4342122 6.308611       0.4516917 -3.220078      1.338885  
1 1 1 -23 2  29 o 115.5901 1.262140  133.8519       2.916907  131.8680       4.064273  135.9593       4.188805  -1.762024      2.524280  
1 1 1 -23 2  30 o 41.88038 0.6514529 17.54346       0.5454920 17.82115       0.7833360 17.28202       0.7600741 0.6428680      1.302906  
1 1 1 -23 2  31 o 48.95999 0.6893489 23.96671       0.6746796 23.30104       0.9364415 24.68521       0.9728836 -1.412220      1.378698  
1 1 1 -23 2  32 o 53.05480 0.7160330 28.13495       0.7592486 27.21241       1.050068  29.14564       1.099087  -1.819973      1.432066  
1 1 1 -23 2  33 o 50.52441 0.7028163 25.54706       0.7101716 25.73011       1.008400  25.36693       1.000317  0.3590736      1.405633  
1 1 1 -23 2  34 o 34.15024 0.6497137 11.50611       0.4405282 13.49482       0.6686016 9.980435       0.5856156 5.141949       1.299427  
1 1 1 -23 2  35 o 50.52746 0.7080686 25.53723       0.7152224 26.16507       1.030391  24.95345       0.9935681 1.197136       1.416137  
1 1 1 -23 2  36 f 26.03658 0.6878731 6.786269       0.3581434 6.911813       0.5059724 6.660207       0.5070118 0.4832287      1.375746  
1 1 1 -23 2  37 o 19.36928 1.083137  3.749871       0.4173170 3.234373       0.5739954 4.327887       0.6078056 -2.819984      2.166274  
1 1 1 -23 2  38 o 12.08783 1.099152  1.459389       0.2651887 1.358086       0.3620653 1.576629       0.3895030 -0.9014654     2.198305  
1 1 1 -23 2  39 o 35.41660 0.9828283 12.47884       0.6934453 11.20866       0.9369376 14.01741       1.031182  -3.957066      1.965657  
1 1 1 -23 2  40 o 48.91850 0.7140839 23.96199       0.6985921 24.13960       0.9949164 23.78927       0.9811441 0.3571205      1.428168  
1 1 1 -23 2  41 f 45.18262 0.7059692 20.41595       0.6374866 19.65354       0.8815710 21.25159       0.9229352 -1.765385      1.411938  
1 1 1 -23 2  42 o 78.31046 0.9367935 61.43095       1.466190  63.01520       2.122185  59.98418       2.028031  1.925697       1.873587  
1 1 1 -23 2  43 o 26.02751 0.7259297 6.753607       0.3761414 5.896749       0.5144649 7.737686       0.5513357 -3.533417      1.451859  
1 1 1 -23 2  44 o 42.64257 0.7112023 18.12404       0.6049078 19.52974       0.8963823 16.94859       0.8196903 3.019699       1.422405  
1 1 1 -23 2  45 o 79.07420 0.9532727 62.53236       1.504130  65.73256       2.220592  59.81929       2.044611  3.716759       1.906545  
1 1 1 -23 2  46 o 25.70698 0.8298987 6.636252       0.4210397 6.690158       0.5535579 6.562260       0.6485382 0.2594852      1.659797  
1 1 1 -23 2  47 o 51.99990 0.9392669 27.37806       0.9234043 27.89702       1.139827  26.38707       1.575090  1.509865       1.878534  
1 1 1 -23 2  48 o 23.70023 0.9931693 5.295352       0.4394546 4.750249       0.5228249 6.607533       0.8111742 -3.875887      1.986339  
1 1 1 -23 2  49 o 25.37737 1.003087  6.232104       0.4788601 5.810908       0.5768781 7.165442       0.8587397 -2.622795      2.006174  
1 1 1 -23 2  50 o 22.64369 1.154735  4.896718       0.5091850 3.806653       0.6435398 6.721556       0.8326484 -6.398167      2.309471  
1 1 1 -23 2  51 f 11.91115 2.066992  1.482992       0.5022618 2.077066       0.7337603 0.9592385      0.6889651 4.295944       4.133984  
1 1 1 -23 2  52 f 32.73185 1.128268  10.76061       0.7377270 10.19826       1.014875  11.39071       1.074264  -1.808947      2.256536  
1 1 1 -23 2  53 o 41.75137 1.110345  17.52372       0.9263735 18.47643       1.340621  16.65311       1.281554  2.170471       2.220689  
1 1 1 -23 2  54 o 12.50695 2.038657  1.657093       0.5011589 1.377549       0.6898990 1.969415       0.7292264 -2.265497      4.077313  
1 1 1 -23 2  55 o 30.40766 1.535924  9.395186       0.8628963 9.346865       1.548370  9.416954       1.039239  -0.2840061     3.071848  
1 1 1 -23 2  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 2  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 2  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 3  1  o 109.0865 1.187008  119.0994       2.588892  117.3380       3.606384  120.9723       3.718692  -1.661591      2.374016  
1 1 1 -23 3  2  o 130.4110 1.397996  170.3458       3.646117  169.3743       5.126956  171.3400       5.186333  -0.7511597     2.795993  
1 1 1 -23 3  3  o 162.8084 1.724621  265.5550       5.612706  261.0109       7.788124  270.4653       8.095953  -2.888031      3.449243  
1 1 1 -23 3  4  o 76.80644 0.8801101 58.93049       1.350281  57.16949       1.854435  60.91776       1.969970  -2.437210      1.760220  
1 1 1 -23 3  5  o 172.4547 1.822131  297.9914       6.281461  292.9362       8.717555  303.4502       9.058930  -3.031342      3.644262  
1 1 1 -23 3  6  o 56.73797 0.7118590 31.94263       0.8036870 29.72240       1.072532  34.78569       1.213680  -4.459316      1.423718  
1 1 1 -23 3  7  o 132.4966 1.418633  175.7438       3.758009  173.2318       5.233576  178.4176       5.399564  -1.950790      2.837266  
1 1 1 -23 3  8  o 180.0460 1.899665  324.9418       6.839175  328.7830       9.790235  321.2805       9.558053  2.072098       3.799330  
1 1 1 -23 3  9  o 30.42809 0.5717194 9.242762       0.3475837 8.771279       0.4797311 9.763782       0.5043041 -1.630539      1.143439  
1 1 1 -23 3  10 o 66.85065 0.7940089 44.41211       1.056783  47.77494       1.589452  41.74776       1.414784  4.504387       1.588018  
1 1 1 -23 3  11 f 42.57425 0.6158975 18.01161       0.5225134 16.75231       0.7032494 19.56355       0.7806948 -3.300335      1.231795  
1 1 1 -23 3  12 o 10.86967 0.9055054 1.185754       0.1961367 1.234622       0.2697417 1.130931       0.2857046 0.4773474      1.811011  
1 1 1 -23 3  13 f 87.85445 0.9860767 77.14155       1.731030  79.45153       2.514401  75.06027       2.386682  2.495834       1.972153  
1 1 1 -23 3  14 f 68.11751 0.8085362 46.36220       1.100533  47.82444       1.597957  45.04281       1.517903  2.040031       1.617072  
1 1 1 -23 3  15 o 73.97164 0.8598339 54.64840       1.270395  56.65955       1.855326  52.87311       1.743138  2.556702       1.719668  
1 1 1 -23 3  16 o 33.10965 0.7037260 11.04189       0.4476840 10.69264       0.7386877 11.24464       0.5628242 -0.8371086     1.407452  
1 1 1 -23 3  17 o 52.18365 0.9512030 27.14703       0.9905013 25.72782       1.346524  28.82049       1.462173  -2.959965      1.902406  
1 1 1 -23 3  18 o 57.12536 1.005392  32.52600       1.145656  34.51490       1.697029  30.86050       1.552945  3.194065       2.010784  
1 1 1 -23 3  19 o 101.6487 1.578573  102.7700       3.189855  96.82526       4.240099  110.5217       4.841822  -6.706482      3.157145  
1 1 1 -23 3  20 o 104.1458 1.613611  108.3021       3.350506  113.9097       4.981062  103.6683       4.527944  4.892586       3.227221  
1 1 1 -23 3  21 o 104.2845 1.401797  108.8018       2.754661  108.4953       3.369498  109.4194       4.783330  -0.3770370     2.803595  
1 1 1 -23 3  22 o 169.4228 1.795715  287.4194       6.075366  297.0381       8.891957  278.9979       8.320239  5.288483       3.591431  
1 1 1 -23 3  23 o 112.5215 1.228746  126.8003       2.765067  126.0635       3.886979  127.5552       3.934239  -0.6607361     2.457493  
1 1 1 -23 3  24 o 168.9816 1.792901  286.3930       6.056018  291.9499       8.739778  281.2606       8.399368  3.138580       3.585803  
1 1 1 -23 3  25 o 118.9446 1.292863  141.7600       3.075486  141.0315       4.328777  142.5025       4.370308  -0.6160278     2.585725  
1 1 1 -23 3  26 o 63.13155 0.7828404 39.63165       0.9844176 37.18636       1.321333  42.68203       1.475792  -4.347141      1.565681  
1 1 1 -23 3  27 o 113.7109 1.242780  129.5192       2.825633  131.2907       4.051445  127.8414       3.942865  1.510521       2.485560  
1 1 1 -23 3  28 o 32.83318 0.6235029 10.77905       0.4090034 10.10607       0.5711036 11.48766       0.5860212 -2.103519      1.247006  
1 1 1 -23 3  29 o 37.31741 0.6325536 13.85792       0.4707295 12.58570       0.6406797 15.35041       0.6939280 -3.702633      1.265107  
1 1 1 -23 3  30 o 29.73243 0.6391628 8.804463       0.3787405 7.834757       0.5180779 9.917610       0.5550740 -3.501421      1.278326  
1 1 1 -23 3  31 o 24.26992 0.6671550 5.893914       0.3238145 5.798540       0.4560691 5.990871       0.4598397 -0.3960991     1.334310  
1 1 1 -23 3  32 f 69.80257 0.8431972 48.72536       1.176282  47.43979       1.625930  50.13708       1.703831  -1.928398      1.686394  
1 1 1 -23 3  33 o 71.62994 0.8611668 51.09903       1.229133  54.48091       1.837042  48.35796       1.653866  4.264450       1.722334  
1 1 1 -23 3  34 o 22.48310 0.7166200 5.057821       0.3221441 4.891718       0.4510136 5.230826       0.4602892 -0.7536907     1.433240  
1 1 1 -23 3  35 o 23.70986 0.7084898 5.594946       0.3338298 6.558775       0.4910696 4.766838       0.4551833 3.777109       1.416980  
1 1 1 -23 3  36 o 39.32861 0.9112491 15.49263       0.7167028 15.21344       1.009882  15.77595       1.017301  -0.7146568     1.822498  
1 1 1 -23 3  37 o 85.32455 0.9886190 72.71604       1.682916  69.64568       2.284827  76.35719       2.488157  -3.916962      1.977238  
1 1 1 -23 3  38 o 26.48062 0.6951761 7.017957       0.3679027 7.399667       0.5254824 6.650962       0.5152543 1.413084       1.390352  
1 1 1 -23 3  39 o 46.32828 0.7009712 21.44114       0.6487305 20.43179       0.8918298 22.57538       0.9453989 -2.310062      1.401942  
1 1 1 -23 3  40 o 24.25068 0.7379038 5.838287       0.3539132 7.192904       0.5259129 4.717081       0.4784631 5.101154       1.475808  
1 1 1 -23 3  41 o 28.64337 0.6972796 8.215701       0.3993269 8.238688       0.5722150 8.193877       0.5575379 0.7714462E-01  1.394559  
1 1 1 -23 3  42 o 12.27234 1.173580  1.527171       0.2845712 1.268958       0.4056729 1.777325       0.3992918 -2.072007      2.347159  
1 1 1 -23 3  43 o 54.49197 0.7575662 29.71601       0.8251090 30.76011       1.192799  28.75799       1.142581  1.832584       1.515132  
1 1 1 -23 3  44 o 48.64644 0.7353410 23.53398       0.7124141 25.67295       1.069212  21.82619       0.9553814 3.943207       1.470682  
1 1 1 -23 3  45 o 42.43104 0.7106202 17.94404       0.6014518 19.49152       0.8896956 16.64164       0.8162102 3.351246       1.421240  
1 1 1 -23 3  46 o 15.23353 1.008963  2.332082       0.3040704 2.801570       0.4395548 1.901228       0.4210809 2.952598       2.017926  
1 1 1 -23 3  47 o 24.12070 0.8063760 5.838254       0.3878560 5.274695       0.5440658 6.420615       0.5530673 -2.374334      1.612752  
1 1 1 -23 3  48 o 47.84404 0.7493954 22.94441       0.7170694 23.02002       1.017712  22.86988       1.010505  0.1560898      1.498791  
1 1 1 -23 3  49 o 25.52053 0.7927941 6.516082       0.4015801 5.472778       0.5524493 7.685024       0.5847676 -4.330006      1.585588  
1 1 1 -23 3  50 o 51.34544 0.7713813 26.44247       0.7921141 26.25746       1.121643  26.62654       1.118799  -0.3597870     1.542763  
1 1 1 -23 3  51 o 20.90035 0.9054527 4.394535       0.3756462 3.726016       0.5242476 5.099973       0.5385282 -3.284637      1.810905  
1 1 1 -23 3  52 o 30.05545 0.8007853 9.001214       0.4793376 10.22949       0.7095087 7.969876       0.6501462 3.750015       1.601571  
1 1 1 -23 3  53 o 12.11467 1.503351  1.524245       0.3529321 1.287582       0.5034172 1.752999       0.4949336 -2.119720      3.006703  
1 1 1 -23 3  54 o 13.24780 1.374194  1.776236       0.3635177 1.907744       0.5179136 1.648540       0.5103531 0.9759912      2.748388  
1 1 1 -23 3  55 o 13.32693 1.860088  1.830484       0.4842173 2.527139       0.7210446 1.258235       0.6535004 4.883475       3.720176  
1 1 1 -23 3  56 o 27.77070 1.214831  7.758006       0.6732249 8.505511       0.9845660 7.101607       0.9226180 2.509985       2.429662  
1 1 1 -23 3  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 3  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 4  1  o 76.30070 1.088126  57.54215       1.532933  60.19815       2.792894  56.39704       1.833852  2.457260       2.176252  
1 1 1 -23 4  2  o 80.28680 0.9129525 64.06640       1.458589  60.37044       1.947984  68.78288       2.200542  -5.231659      1.825905  
1 1 1 -23 4  3  o 63.73771 0.7667343 40.63665       0.9772765 41.23009       1.395558  40.06561       1.368981  0.9128685      1.533469  
1 1 1 -23 4  4  o 66.29643 0.7875370 43.96084       1.043949  43.37826       1.456587  44.57617       1.496975  -0.9025116     1.575074  
1 1 1 -23 4  5  o 48.47047 0.9499876 23.50697       0.9208326 23.96147       1.311684  23.06531       1.293024  0.9239197      1.899975  
1 1 1 -23 4  6  o 20.07110 0.6629041 4.016993       0.2600806 3.969969       0.3332163 4.090298       0.4160381 -0.2982101     1.325808  
1 1 1 -23 4  7  o 54.10366 0.6884818 29.09459       0.7419680 31.35361       1.112221  27.28309       0.9959785 3.759552       1.376964  
1 1 1 -23 4  8  o 57.11353 0.7133956 32.61898       0.8146921 33.23460       1.168046  32.03576       1.136883  1.048923       1.426791  
1 1 1 -23 4  9  o 35.56585 0.5821998 12.64281       0.4139415 13.17149       0.5941401 12.14414       0.5770379 1.444023       1.164400  
1 1 1 -23 4  10 o 44.54205 0.6250014 19.84203       0.5566683 19.66116       0.7782424 20.03152       0.7965735 -0.4154320     1.250003  
1 1 1 -23 4  11 o 91.26946 1.016843  83.16451       1.852770  86.61381       2.721253  80.18383       2.529651  3.517197       2.033686  
1 1 1 -23 4  12 o 46.92122 0.6958112 22.09989       0.6503245 19.98063       0.9254276 24.16747       0.9140732 -4.461781      1.391622  
1 1 1 -23 4  13 o 41.91285 0.7390113 17.78491       0.5985330 16.72563       0.9663125 18.44428       0.7623883 -2.054451      1.478023  
1 1 1 -23 4  14 o 28.22227 0.7942685 7.864102       0.4445885 9.446400       0.6696926 6.617218       0.5944900 5.010607       1.588537  
1 1 1 -23 4  15 o 65.57669 1.097404  42.94790       1.436990  44.73230       2.105781  41.39277       1.965849  2.541740       2.194808  
1 1 1 -23 4  16 o 43.84186 0.8619370 19.23196       0.7557249 19.34710       1.076375  19.12003       1.061297  0.2585754      1.723874  
1 1 1 -23 4  17 o 84.51429 1.163933  71.55925       1.862462  71.65746       2.291566  71.36813       3.196716  0.2038574      2.327865  
1 1 1 -23 4  18 f 104.0060 1.143869  108.0565       2.375094  104.4554       3.243721  112.2188       3.487269  -3.723137      2.287737  
1 1 1 -23 4  19 f 155.1057 1.649735  241.0556       5.115261  245.4314       7.370889  236.9903       7.104599  2.706467       3.299470  
1 1 1 -23 4  20 o 99.77115 1.103230  99.52474       2.199121  96.89502       3.027809  102.4608       3.199327  -2.782898      2.206461  
1 1 1 -23 4  21 o 101.6530 1.120836  103.3741       2.277277  105.7519       3.292264  101.1927       3.153339  2.237160       2.241673  
1 1 1 -23 4  22 o 110.8808 1.210811  123.1185       2.684927  122.2933       3.770425  123.9675       3.824269  -0.7526016     2.421623  
1 1 1 -23 4  23 f 107.6517 1.180770  116.0627       2.542174  116.5407       3.610489  115.5927       3.580057  0.4389343      2.361539  
1 1 1 -23 4  24 o 67.23959 0.8112642 45.23347       1.090779  44.56023       1.524720  45.93922       1.561113  -1.024193      1.622528  
1 1 1 -23 4  25 o 57.65385 0.7363119 33.19463       0.8479288 34.56473       1.238220  31.98477       1.163563  2.235031       1.472624  
1 1 1 -23 4  26 o 97.63324 1.087791  95.44273       2.123716  94.23163       2.969620  96.71053       3.038336  -1.266121      2.175582  
1 1 1 -23 4  27 o 108.2551 1.189989  116.9276       2.568027  123.1555       3.822334  111.8036       3.467079  5.223404       2.379979  
1 1 1 -23 4  28 o 69.58037 0.8372399 48.32187       1.162885  46.31519       1.585891  50.65567       1.710280  -3.113960      1.674480  
1 1 1 -23 4  29 o 112.5477 1.233249  126.7936       2.773258  130.3128       4.031010  123.6309       3.821342  2.955170       2.466498  
1 1 1 -23 4  30 o 62.09141 0.7769006 38.45764       0.9627514 36.64291       1.310596  40.58475       1.418919  -3.169720      1.553801  
1 1 1 -23 4  31 o 78.79785 0.9201056 62.09081       1.448704  60.36525       1.997177  64.00697       2.104594  -2.305367      1.840211  
1 1 1 -23 4  32 o 46.10287 0.6778239 21.07364       0.6218367 23.31804       0.9385462 19.31750       0.8302060 4.334457       1.355648  
1 1 1 -23 4  33 o 113.5478 1.247747  129.2905       2.833561  129.5068       4.015220  129.0758       3.999348  0.1885300      2.495494  
1 1 1 -23 4  34 o 65.08444 0.8108260 41.96948       1.047904  46.08191       1.602878  38.89978       1.384838  5.505219       1.621652  
1 1 1 -23 4  35 o 28.96793 0.8863960 8.402095       0.5134658 8.222733       0.7195527 8.588189       0.7329327 -0.6299667     1.772792  
1 1 1 -23 4  36 o 28.33265 0.6710598 7.971330       0.3783963 9.160685       0.5616893 6.983022       0.5120193 3.840553       1.342120  
1 1 1 -23 4  37 o 41.32023 0.6765818 17.05114       0.5584658 16.16704       0.7682215 18.04200       0.8132833 -2.266327      1.353164  
1 1 1 -23 4  38 o 27.91389 0.6797259 7.800043       0.3788904 7.230829       0.5306559 8.392020       0.5411625 -2.079334      1.359452  
1 1 1 -23 4  39 o 8.994884 1.377889  0.8331378      0.2571102 1.353474       0.3723336 0.3588686      0.3554699 5.238355       2.755778  
1 1 1 -23 4  40 o 34.31095 0.6841512 11.78222       0.4693035 11.34510       0.6560675 12.24028       0.6715959 -1.303421      1.368302  
1 1 1 -23 4  41 o 57.80136 0.7768233 33.37868       0.8966851 31.79169       1.227868  35.19219       1.312575  -2.934578      1.553647  
1 1 1 -23 4  42 o 23.57169 0.7516007 5.558440       0.3533134 4.995077       0.4900542 6.168249       0.5098550 -2.486847      1.503201  
1 1 1 -23 4  43 o 12.20320 1.196515  1.521130       0.2782828 1.954206       0.4049015 1.133425       0.3831050 3.502234       2.393030  
1 1 1 -23 4  44 o 29.04753 0.7097288 8.445772       0.4121371 8.726893       0.5933198 8.183655       0.5729154 0.9332199      1.419458  
1 1 1 -23 4  45 o 40.48850 0.7089024 16.40782       0.5737225 16.93544       0.8285539 15.92181       0.7952055 1.248543       1.417805  
1 1 1 -23 4  46 o 35.80832 0.7075715 12.84127       0.5063945 12.19000       0.7082102 13.52260       0.7243629 -1.859150      1.415143  
1 1 1 -23 4  47 o 7.477789 1.688516  0.5401750      0.2938534 0.3374835      0.4179292 0.7383561      0.4132531 -1.894242      3.377032  
1 1 1 -23 4  48 o 21.12778 0.8681516 4.492440       0.3645134 3.886648       0.5126691 5.111800       0.5183780 -2.898632      1.736303  
1 1 1 -23 4  49 f 20.27077 0.9075277 4.126454       0.3678124 4.180649       0.5160070 4.070477       0.5244256 0.2730560      1.815055  
1 1 1 -23 4  50 f 31.35382 0.7583605 9.859554       0.4754404 9.593940       0.6710604 10.12726       0.6736959 -0.8501358     1.516721  
1 1 1 -23 4  51 o 50.40806 0.7799494 25.44482       0.7854223 26.37813       1.144523  24.61407       1.079809  1.740692       1.559899  
1 1 1 -23 4  52 o 48.36433 0.7739723 23.46287       0.7485522 23.78540       1.069416  23.15305       1.048130  0.6505280      1.547945  
1 1 1 -23 4  53 o 23.64632 0.8907425 5.630164       0.4200286 5.169406       0.5967353 6.082599       0.5913219 -1.931913      1.781485  
1 1 1 -23 4  54 o 11.90740 1.767357  1.494118       0.3979929 1.400175       0.6689742 1.545585       0.4951532 -0.8930836     3.534714  
1 1 1 -23 4  55 o 35.47227 1.037363  12.72095       0.7301571 12.20489       1.090716  13.14000       0.9828787 -1.342976      2.074725  
1 1 1 -23 4  56 o 38.99878 1.112509  15.31951       0.8670167 14.48068       1.205863  16.21725       1.247490  -2.215343      2.225018  
1 1 1 -23 4  57 o 21.19612 2.330823  4.578559       0.9880881 4.578559       0.9880881 ?              ?         ?              ?         
1 1 1 -23 4  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 5  1  o 119.7078 1.577026  145.4030       3.626991  150.3619       4.580099  137.0635       5.939577  5.625481       3.154051  
1 1 1 -23 5  2  o 60.57101 1.076883  36.72432       1.304480  37.26305       1.855136  36.19742       1.834660  0.8789291      2.153766  
1 1 1 -23 5  3  o 71.04918 1.200063  50.42822       1.702785  52.70384       2.491784  48.43453       2.332321  2.998260       2.400126  
1 1 1 -23 5  4  o 84.74365 1.181747  71.39185       1.862326  73.29507       3.333944  70.52865       2.245281  1.592018       2.363494  
1 1 1 -23 5  5  o 71.32217 0.8312751 50.60584       1.180743  47.90091       1.583927  53.98897       1.771401  -4.263161      1.662550  
1 1 1 -23 5  6  o 87.11417 0.9761617 75.80517       1.698369  78.60040       2.482837  73.34705       2.328315  3.010628       1.952323  
1 1 1 -23 5  7  o 51.07471 0.6705557 26.06297       0.6844529 26.94492       0.9918086 25.26102       0.9457577 1.647545       1.341111  
1 1 1 -23 5  8  o 42.22927 0.7286731 17.49326       0.6090046 20.42439       0.9478247 15.43232       0.7947737 5.907383       1.457346  
1 1 1 -23 5  9  o 85.06290 1.166479  72.25153       1.873150  73.00502       3.244813  71.87492       2.293981  0.6321182      2.332958  
1 1 1 -23 5  10 o 96.80243 1.498848  93.79324       2.899682  96.07363       4.199567  91.71548       4.008632  2.242653       2.997695  
1 1 1 -23 5  11 o 44.80351 0.8545865 20.06383       0.7653134 19.44536       1.060263  20.73656       1.105806  -1.439812      1.709173  
1 1 1 -23 5  12 o 90.83342 1.418660  82.63308       2.576894  83.45853       3.680552  81.83939       3.609057  0.8882446      2.837321  
1 1 1 -23 5  13 o 141.6664 1.858942  199.4538       4.905334  196.3320       5.917987  206.3076       8.768636  -3.362915      3.717884  
1 1 1 -23 5  14 o 124.2809 1.341752  154.6994       3.335071  154.5814       4.709106  154.8182       4.723933  -0.9465027E-01 2.683504  
1 1 1 -23 5  15 o 97.53555 1.079974  94.80769       2.099615  100.1985       3.128434  90.38943       2.832222  5.018356       2.159947  
1 1 1 -23 5  16 o 92.42548 1.032575  85.35926       1.906138  82.82298       2.614848  88.23536       2.784517  -2.922325      2.065150  
1 1 1 -23 5  17 o 113.1132 1.233664  127.7648       2.784514  133.2693       4.108098  123.0866       3.787238  4.488083       2.467329  
1 1 1 -23 5  18 o 207.9946 2.189272  434.5777       9.107122  435.1216       12.89380  434.0362       12.86507  0.2588196      4.378544  
1 1 1 -23 5  19 o 14.73143 0.7855200 2.169506       0.2304713 2.450343       0.3323537 1.909361       0.3198757 1.835816       1.571040  
1 1 1 -23 5  20 o 122.4197 1.323952  149.9046       3.237684  145.9164       4.450062  154.3900       4.719348  -3.448517      2.647905  
1 1 1 -23 5  21 o 55.93242 0.7172793 31.24774       0.8014977 32.40124       1.167485  30.21945       1.102300  1.948689       1.434559  
1 1 1 -23 5  22 o 106.6892 1.171598  113.8522       2.497455  110.9224       3.440657  117.1149       3.630886  -2.893440      2.343197  
1 1 1 -23 5  23 f 60.88360 0.7598478 37.09187       0.9252015 37.25426       1.315949  36.93314       1.301044  0.2632332      1.519696  
1 1 1 -23 5  24 o 111.4081 1.217700  124.3257       2.712859  123.1203       3.798783  125.5803       3.875490  -1.099945      2.435400  
1 1 1 -23 5  25 o 115.1459 1.254889  132.8220       2.889368  134.3457       4.134383  131.3674       4.039630  1.287895       2.509777  
1 1 1 -23 5  26 o 87.65578 0.9947206 76.48746       1.736238  81.56573       2.607023  72.43977       2.327506  5.192688       1.989441  
1 1 1 -23 5  27 o 38.44821 0.6284579 14.79183       0.4832213 14.64678       0.6854556 14.93512       0.6813192 -0.3750992     1.256916  
1 1 1 -23 5  28 o 59.93721 0.7605870 35.65728       0.9069330 38.81720       1.371438  33.20139       1.209049  4.678490       1.521174  
1 1 1 -23 5  29 o 84.01165 0.9635980 70.58337       1.617506  68.64698       2.228842  72.73793       2.351044  -2.428528      1.927196  
1 1 1 -23 5  30 o 47.01143 0.6752424 22.00808       0.6332540 20.56676       0.8592078 23.72201       0.9369464 -3.352966      1.350485  
1 1 1 -23 5  31 f 118.2506 1.290356  139.9886       3.047989  136.1026       4.187828  144.3658       4.444641  -3.475220      2.580713  
1 1 1 -23 5  32 o 61.67675 0.7792558 38.06087       0.9609661 37.29080       1.339617  38.87720       1.379273  -1.284184      1.558512  
1 1 1 -23 5  33 o 62.46946 0.7870466 38.89470       0.9804276 41.31015       1.456430  36.89304       1.325823  3.528492       1.574093  
1 1 1 -23 5  34 f 53.27805 0.7935559 28.45840       0.8378420 28.70441       1.114729  28.13898       1.270214  0.5392838      1.587112  
1 1 1 -23 5  35 o 39.25250 0.6590583 15.38795       0.5167937 16.13040       0.7532426 14.72765       0.7103548 1.784832       1.318117  
1 1 1 -23 5  36 f 24.07045 0.6909574 5.798993       0.3324887 5.565782       0.4668486 6.039043       0.4736451 -0.9827061     1.381915  
1 1 1 -23 5  37 o 42.18903 0.6742299 17.66847       0.5664547 19.60015       0.8494170 16.12139       0.7601686 4.117798       1.348460  
1 1 1 -23 5  38 o 55.86839 0.7504625 31.17624       0.8372744 29.81901       1.146156  32.72927       1.226047  -2.599209      1.500925  
1 1 1 -23 5  39 o 64.99286 0.8208416 42.31660       1.066910  42.60105       1.519135  42.03973       1.498748  0.4301834      1.641683  
1 1 1 -23 5  40 o 47.48369 1.047879  22.51307       0.9927795 20.90678       1.350629  24.40097       1.464248  -3.666924      2.095758  
1 1 1 -23 5  41 o 87.15819 1.011809  76.19495       1.763583  76.77300       2.514790  75.63554       2.473881  0.6480560      2.023619  
1 1 1 -23 5  42 o 46.03716 0.7140576 21.08650       0.6552314 19.34544       0.8847557 23.20124       0.9750908 -4.180233      1.428115  
1 1 1 -23 5  43 o 36.72327 0.7000340 13.47016       0.5133293 14.21228       0.7523528 12.82376       0.7021583 1.886177       1.400068  
1 1 1 -23 5  44 o 9.356521 1.473821  0.9263942      0.2820994 0.5020342      0.4053087 1.325126       0.3928792 -4.247128      2.947642  
1 1 1 -23 5  45 o 64.83447 0.8386227 42.11240       1.086885  41.01947       1.508057  43.29373       1.567861  -1.747078      1.677245  
1 1 1 -23 5  46 o 25.56293 0.7695488 6.487123       0.3911108 7.560332       0.5836666 5.612496       0.5269067 3.803658       1.539098  
1 1 1 -23 5  47 o 6.136713 1.599658  0.1842867      0.2918288 -0.2136617     0.4136068 0.5787955      0.4118155 -2.962140      3.199316  
1 1 1 -23 5  48 o 59.01712 0.8086029 34.92345       0.9541844 35.31619       1.367806  34.55114       1.331757  0.6435204      1.617206  
1 1 1 -23 5  49 f 7.973368 1.673573  0.6222473      0.3097704 0.2550211      0.4403745 0.9819236      0.4358241 -3.364959      3.347146  
1 1 1 -23 5  50 o 45.62164 0.7590728 20.87742       0.6923566 20.69606       0.9899232 21.05110       0.9687019 -0.3919487     1.518146  
1 1 1 -23 5  51 o 17.89250 1.045501  3.245189       0.3672391 2.503247       0.5130154 4.024970       0.5259346 -4.249968      2.091002  
1 1 1 -23 5  52 o 49.46827 0.7884836 24.43831       0.7779018 26.13653       1.154344  23.02551       1.052882  3.128616       1.576967  
1 1 1 -23 5  53 o 37.62252 0.9399798 14.13854       0.6697719 14.50711       1.156444  13.95251       0.8215939 0.6721916      1.879960  
1 1 1 -23 5  54 o 38.71497 1.001553  15.00371       0.7660903 15.58002       1.188657  14.59423       1.001944  1.231670       2.003107  
1 1 1 -23 5  55 o 38.65347 1.070120  15.05466       0.8270296 14.85834       1.179133  15.24476       1.160287  -0.5044289     2.140239  
1 1 1 -23 5  56 o 13.16843 2.038718  1.844189       0.5218407 2.002991       0.7597039 1.702325       0.7180453 1.092100       4.077436  
1 1 1 -23 5  57 o 43.73154 1.366761  19.11422       1.135887  18.56640       1.394057  20.19638       1.959330  -1.676289      2.733522  
1 1 1 -23 5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 6  1  f 67.80424 0.7968740 45.98567       1.080294  45.35601       1.505451  46.65410       1.551104  -0.9559784     1.593748  
1 1 1 -23 6  2  f 77.94962 0.8891379 60.80048       1.386006  60.35521       1.943044  61.26174       1.977629  -0.5804367     1.778276  
1 1 1 -23 6  3  f 106.4287 1.160667  113.3271       2.469078  115.8550       3.567352  111.0026       3.420860  2.273964       2.321333  
1 1 1 -23 6  4  o 104.2572 1.423647  106.3410       2.697008  102.9544       3.179796  115.0233       5.091343  -5.698891      2.847293  
1 1 1 -23 6  5  o 113.1069 1.753918  128.0769       3.962482  132.4704       5.784419  124.1923       5.439102  3.639473       3.507836  
1 1 1 -23 6  6  o 74.08562 1.762840  0.000000       0.000000  ?              ?         54.96518       2.612021  ?              ?         
1 1 1 -23 6  7  o 103.3550 2.244487  0.000000       0.000000  ?              ?         107.0673       4.639580  ?              ?         
1 1 1 -23 6  8  o 157.7981 2.898462  252.2393       8.689440  246.4911       14.72079  255.3132       10.76497  -3.155548      5.796924  
1 1 1 -23 6  9  o 70.27847 1.139063  49.37827       1.599454  47.95280       2.203255  50.96651       2.325644  -2.139702      2.278125  
1 1 1 -23 6  10 o 77.29840 1.134664  60.04808       1.738288  61.66423       2.325677  58.00236       2.616577  2.379082       2.269328  
1 1 1 -23 6  11 f 121.2624 1.309534  147.0949       3.172791  143.5205       4.371607  151.0733       4.612051  -3.104195      2.619069  
1 1 1 -23 6  12 o 68.53104 0.8133798 46.94426       1.114005  45.79082       1.539761  48.21117       1.613722  -1.763954      1.626760  
1 1 1 -23 6  13 o 100.2974 1.105794  100.5600       2.215556  97.82965       3.045624  103.6289       3.228944  -2.884445      2.211588  
1 1 1 -23 6  14 o 67.06052 0.8009156 44.98901       1.074028  44.52596       1.502961  45.47224       1.535367  -0.7046890     1.601831  
1 1 1 -23 6  15 o 50.53609 0.6732251 25.50199       0.6797323 24.50991       0.9355386 26.61134       0.9892850 -2.077938      1.346450  
1 1 1 -23 6  16 o 96.61147 1.074397  92.51109       2.060308  100.7962       3.156743  86.36279       2.719365  7.454056       2.148793  
1 1 1 -23 6  17 o 45.26280 0.6401865 20.49060       0.5794659 20.16396       0.8121985 20.82924       0.8269787 -0.7345963     1.280373  
1 1 1 -23 6  18 o 82.22863 0.9387134 66.92442       1.531239  73.41602       2.354302  62.16499       2.015872  6.830368       1.877427  
1 1 1 -23 6  19 o 84.44774 0.9587054 71.28462       1.617612  69.35501       2.228462  73.43377       2.351816  -2.410774      1.917411  
1 1 1 -23 6  20 o 84.95953 0.9642076 72.23949       1.638167  71.50848       2.294790  72.99913       2.339288  -0.8756790     1.928415  
1 1 1 -23 6  21 f 58.48992 0.7387850 33.98972       0.8604513 31.75023       1.152810  36.80670       1.292933  -4.318390      1.477570  
1 1 1 -23 6  22 o 47.81247 0.6631683 22.82494       0.6333972 23.84790       0.9237852 21.91733       0.8701378 2.017387       1.326337  
1 1 1 -23 6  23 o 121.4173 1.316049  147.6345       3.193942  144.8036       4.426620  150.7089       4.612971  -2.420959      2.632097  
1 1 1 -23 6  24 o 48.40691 0.6711453 23.43570       0.6495749 23.85211       0.9323683 23.04295       0.9054963 0.8349762      1.342291  
1 1 1 -23 6  25 o 54.52215 0.7162696 29.56075       0.7781487 27.66031       1.046707  31.90882       1.163467  -3.892269      1.432539  
1 1 1 -23 6  26 o 68.03256 0.8217348 46.32598       1.118085  46.13380       1.577247  46.52011       1.585205  -0.2836075     1.643470  
1 1 1 -23 6  27 o 33.38461 0.6165256 11.06728       0.4100913 12.33167       0.6109405 10.03039       0.5532542 3.444824       1.233051  
1 1 1 -23 6  28 o 66.04884 0.8098158 43.55018       1.067784  41.83638       1.457282  45.53696       1.569056  -2.796646      1.619632  
1 1 1 -23 6  29 o 105.9844 1.170092  112.5420       2.479903  111.3715       3.473071  113.7596       3.542175  -1.122269      2.340184  
1 1 1 -23 6  30 f 47.15900 0.6744089 21.95758       0.6315643 19.73455       0.8350763 24.92834       0.9653545 -5.501774      1.348818  
1 1 1 -23 6  31 o 16.34852 0.7912715 2.698533       0.2537801 2.068963       0.3545675 3.359837       0.3633938 -3.947577      1.582543  
1 1 1 -23 6  32 o 66.55750 0.8174379 44.15971       1.084755  46.74009       1.613160  42.02985       1.465586  3.530602       1.634876  
1 1 1 -23 6  33 f 38.95269 0.8660959 15.18628       0.6745229 15.60470       0.9684863 14.79211       0.9399907 1.041317       1.732192  
1 1 1 -23 6  34 o 45.07016 0.6832609 20.26115       0.6148078 18.88587       0.8420388 21.83146       0.8997685 -3.265022      1.366522  
1 1 1 -23 6  35 o 25.68806 0.6707846 6.610880       0.3438794 6.076521       0.4839914 7.155644       0.4886803 -2.100199      1.341569  
1 1 1 -23 6  36 o 56.67345 0.7501581 31.97138       0.8474151 29.90308       1.142520  34.50061       1.263433  -4.048717      1.500316  
1 1 1 -23 6  37 o 22.04555 0.7255171 4.842479       0.3189380 5.391306       0.4684354 4.368201       0.4354605 2.318367       1.451034  
1 1 1 -23 6  38 o 27.15882 0.6868070 7.350371       0.3721743 7.974758       0.5487201 6.818411       0.5064816 2.126131       1.373614  
1 1 1 -23 6  39 o 68.35469 0.8474489 46.80650       1.158338  46.04524       1.619673  47.60350       1.657249  -1.136566      1.694898  
1 1 1 -23 6  40 o 46.67776 1.043945  21.82618       0.9738249 20.78956       1.348683  22.95535       1.407598  -2.313435      2.087891  
1 1 1 -23 6  41 o 28.76194 0.7057773 8.269048       0.4045652 7.343705       0.5593640 9.284048       0.5858367 -3.371025      1.411555  
1 1 1 -23 6  42 o 51.73708 0.7463988 26.79452       0.7718441 27.44167       1.115814  26.20073       1.068807  1.195084       1.492798  
1 1 1 -23 6  43 o 46.28629 0.7215389 21.38888       0.6667457 19.89632       0.9132980 23.09210       0.9756266 -3.446449      1.443078  
1 1 1 -23 6  44 o 6.232164 1.618337  0.2802972      0.2729362 0.4759094      0.3961660 0.1035672      0.3765602 1.694110       3.236674  
1 1 1 -23 6  45 o 14.04108 1.100198  1.967859       0.3063425 2.359792       0.4519935 1.634855       0.4166313 2.576153       2.200396  
1 1 1 -23 6  46 o 12.35118 1.282967  1.585067       0.3021530 1.241369       0.4337721 1.909017       0.4211262 -2.864876      2.565934  
1 1 1 -23 6  47 o 37.04418 0.7240571 13.74594       0.5362570 13.25836       0.7495843 14.25709       0.7674968 -1.346085      1.448114  
1 1 1 -23 6  48 o 17.77859 0.9627371 3.172853       0.3416523 3.201618       0.5000464 3.147668       0.4678933 0.1465721      1.925474  
1 1 1 -23 6  49 o 63.40548 0.8462551 40.34420       1.073062  40.47862       1.528122  40.21345       1.507172  0.2059860      1.692510  
1 1 1 -23 6  50 o 12.76170 1.439592  1.731248       0.3325340 2.895049       0.4927517 0.7579714      0.4506162 8.416481       2.879184  
1 1 1 -23 6  51 f 39.76003 0.7571214 15.86500       0.6017505 15.51848       0.8585950 16.19952       0.8436103 -0.8585892     1.514243  
1 1 1 -23 6  52 f 21.34514 0.9855056 4.450470       0.4141844 5.378734       0.6600970 3.847688       0.5319269 3.561150       1.971011  
1 1 1 -23 6  53 f 40.16730 0.9894493 16.12186       0.7823213 16.84013       1.231341  15.63567       1.013065  1.452053       1.978899  
1 1 1 -23 6  54 o 34.31946 1.083111  11.87094       0.7430139 11.55930       1.058779  12.17335       1.042960  -0.8983917     2.166221  
1 1 1 -23 6  55 o 17.55247 1.652469  3.238145       0.5297728 1.957500       0.7279969 4.679763       0.7723964 -7.933237      3.304939  
1 1 1 -23 6  56 o 34.23430 1.120171  11.80328       0.7648005 10.61688       1.058875  13.09724       1.105835  -3.609364      2.240342  
1 1 1 -23 6  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 7  1  o 26.32679 0.5265440 6.685628       0.2720558 5.331025       0.3502765 8.745234       0.4319137 -6.482662      1.053088  
1 1 1 -23 7  2  o 35.81425 0.5563405 12.80703       0.3981311 13.47192       0.5775638 12.20503       0.5495640 1.768135       1.112681  
1 1 1 -23 7  3  o 121.6514 1.412262  148.6773       3.420283  143.6956       5.036369  152.9415       4.659595  -3.818733      2.824523  
1 1 1 -23 7  4  o 95.48938 1.469043  91.32199       2.804307  89.74209       3.896355  93.01991       4.039283  -1.709106      2.938085  
1 1 1 -23 7  5  o 68.82874 1.107745  47.40238       1.524268  46.51596       2.119066  48.35275       2.194177  -1.331482      2.215489  
1 1 1 -23 7  6  f 117.8835 1.787669  139.3836       4.214615  138.6219       5.933155  140.1595       5.987954  -0.6488876     3.575339  
1 1 1 -23 7  7  o 87.60915 1.537151  76.69560       2.167967  76.53800       2.427979  77.31548       4.815186  -0.3264084     3.074303  
1 1 1 -23 7  8  o 32.88703 0.7625861 9.977021       0.4255878 9.306945       0.4797804 12.45067       0.9218265 -4.768421      1.525172  
1 1 1 -23 7  9  o 15.74401 1.192113  2.476967       0.3748907 2.385126       0.5144665 2.580949       0.5474174 -0.6205826     2.384227  
1 1 1 -23 7  10 o 39.23909 0.9230787 15.06027       0.7160771 12.97234       0.9327983 18.05630       1.117385  -6.472488      1.846157  
1 1 1 -23 7  11 o 28.63304 0.7539294 8.339676       0.3897516 7.882739       0.7195530 8.529403       0.4636593 -1.135485      1.507859  
1 1 1 -23 7  12 o 46.94198 0.9595476 21.95254       0.8984220 20.70174       1.216995  23.45065       1.331884  -2.924286      1.919095  
1 1 1 -23 7  13 o 23.64565 0.5808821 5.588741       0.2744991 5.904698       0.3936490 5.289691       0.3829718 1.300257       1.161764  
1 1 1 -23 7  14 f 35.08781 0.5859917 12.29922       0.4109454 11.76408       0.5696914 12.87976       0.5933600 -1.589382      1.171983  
1 1 1 -23 7  15 o 99.16963 1.095229  98.41280       2.171463  100.1268       3.122777  96.80811       3.021547  1.669441       2.190459  
1 1 1 -23 7  16 o 117.2567 1.271916  137.6965       2.982584  138.7490       4.249914  136.6750       4.186815  0.8816223      2.543832  
1 1 1 -23 7  17 o 72.47492 0.8496798 52.52405       1.230938  51.40268       1.706895  53.73919       1.776830  -1.609818      1.699360  
1 1 1 -23 7  18 o 59.90618 0.7488797 35.90759       0.8972300 36.06548       1.274094  35.75227       1.263720  0.2611275      1.497759  
1 1 1 -23 7  19 o 105.4053 1.158274  111.1973       2.440552  113.4336       3.519075  109.1249       3.387603  2.037903       2.316548  
1 1 1 -23 7  20 o 77.76395 0.9004244 60.51338       1.400150  61.37152       2.003854  59.69473       1.957193  1.076370       1.800849  
1 1 1 -23 7  21 o 69.76541 0.8308989 48.59234       1.157385  46.74087       1.581540  50.72719       1.698265  -2.852699      1.661798  
1 1 1 -23 7  22 o 37.56159 0.6166829 13.89812       0.4596896 12.14079       0.6082375 16.23898       0.7019943 -5.452698      1.233366  
1 1 1 -23 7  23 o 78.88834 0.9134032 62.29826       1.441096  62.01526       2.028773  62.58646       2.047389  -0.3612671     1.826806  
1 1 1 -23 7  24 o 65.53345 0.7980900 42.95002       1.045511  41.99872       1.450887  43.97758       1.507913  -1.507683      1.596180  
1 1 1 -23 7  25 o 42.26675 0.6390360 17.85052       0.5398263 17.17804       0.7470598 18.58534       0.7809250 -1.663738      1.278072  
1 1 1 -23 7  26 o 52.43619 0.7021023 27.34257       0.7336606 29.57397       1.095885  25.53020       0.9876425 3.852066       1.404205  
1 1 1 -23 7  27 o 121.1603 1.317647  147.1161       3.191787  145.0021       4.443330  149.3699       4.587879  -1.792496      2.635294  
1 1 1 -23 7  28 o 86.70646 0.9881844 75.25864       1.713027  76.49639       2.462553  74.09811       2.384504  1.378815       1.976369  
1 1 1 -23 7  29 o 96.43480 1.079407  93.08630       2.080489  91.04909       2.879974  95.30980       3.008762  -2.201393      2.158814  
1 1 1 -23 7  30 f 107.6868 1.188105  116.2366       2.558861  116.2889       3.620984  116.1843       3.616572  0.4828644E-01  2.376209  
1 1 1 -23 7  31 o 29.65508 0.6394634 8.804395       0.3791026 8.630350       0.5405447 8.972870       0.5318256 -0.5778637     1.278927  
1 1 1 -23 7  32 o 80.59708 1.306408  65.17770       2.105848  65.01151       2.978405  65.34385       2.977833  -0.2062302     2.612817  
1 1 1 -23 7  33 o 16.20109 0.8248178 2.632812       0.2666743 2.545475       0.3861773 2.712422       0.3686985 -0.5162449     1.649636  
1 1 1 -23 7  34 o 30.31088 0.6511806 9.140656       0.3935641 9.986846       0.5840850 8.436979       0.5326339 2.554159       1.302361  
1 1 1 -23 7  35 o 17.66608 0.8101918 3.162989       0.2817730 2.541187       0.4008763 3.770186       0.3961403 -3.478719      1.620384  
1 1 1 -23 7  36 o 21.85886 0.7290878 4.793863       0.3173438 4.250154       0.4463231 5.349771       0.4513021 -2.514957      1.458176  
1 1 1 -23 7  37 o 26.95854 0.6794850 7.278738       0.3661236 7.200701       0.5256698 7.352257       0.5102294 -0.2820492     1.358970  
1 1 1 -23 7  38 o 46.85428 0.7023408 21.97601       0.6579426 22.27996       0.9448317 21.68986       0.9167465 0.6277313      1.404682  
1 1 1 -23 7  39 o 9.139956 1.482233  0.8800525      0.2647591 0.8017489      0.3916003 0.9459823      0.3593294 -0.7725325     2.964467  
1 1 1 -23 7  40 o 66.06137 1.104781  43.22860       1.406704  45.93240       2.355663  41.73005       1.753724  3.108559       2.209562  
1 1 1 -23 7  41 f 7.111720 1.523886  0.4526300      0.2570612 0.8216447      0.3800549 0.1414474      0.3490055 3.485384       3.047771  
1 1 1 -23 7  42 o 8.598422 1.454045  0.7695705      0.2752499 0.2705290      0.3989478 1.222929       0.3802494 -4.862964      2.908090  
1 1 1 -23 7  43 o 5.379882 1.510876  0.2689648E-01  0.2675723 0.3844278      0.3886968 -0.2951233     0.3688885 2.480423       3.021751  
1 1 1 -23 7  44 o 42.21779 0.7087449 17.78046       0.5968954 18.93833       0.8837621 16.80923       0.8094055 2.514393       1.417490  
1 1 1 -23 7  45 o 18.87604 0.8964955 3.587727       0.3368146 3.198294       0.4780325 3.971653       0.4746411 -2.048954      1.792991  
1 1 1 -23 7  46 o 27.44604 0.7535688 7.462635       0.4110326 8.703927       0.6182023 6.479107       0.5502836 4.045588       1.507138  
1 1 1 -23 7  47 o 12.82719 1.303341  1.679189       0.3187186 2.178488       0.4676615 1.246153       0.4355248 3.782432       2.606682  
1 1 1 -23 7  48 o 42.71030 0.7339168 18.29140       0.6268629 18.07107       0.8882293 18.51005       0.8848167 -0.5143471     1.467834  
1 1 1 -23 7  49 o 6.192556 1.675680  0.2185012      0.3051199 -0.3695599E-01 0.4366057 0.4623593      0.4265785 -1.816309      3.351361  
1 1 1 -23 7  50 o 43.88567 0.7539960 19.31633       0.6617486 19.04104       0.9350483 19.59257       0.9366617 -0.6281509     1.507992  
1 1 1 -23 7  51 o 34.88956 0.8195878 12.33920       0.5661884 10.78191       0.8222645 13.74328       0.7807687 -4.250534      1.639176  
1 1 1 -23 7  52 o 19.47024 1.243953  3.853546       0.4802289 3.539275       0.7084152 4.120760       0.6532291 -1.507164      2.487905  
1 1 1 -23 7  53 o 10.77792 1.949446  1.237451       0.4254957 1.458821       0.5969704 1.008859       0.6066295 1.899803       3.898892  
1 1 1 -23 7  54 o 34.04570 1.060370  11.66838       0.7218351 11.91120       1.035267  11.43865       1.006979  0.6872673      2.120739  
1 1 1 -23 7  55 f 7.816575 2.123955  0.4356902      0.4672691 0.3797938      0.6630179 0.4908510      0.6586405 -0.3397889     4.247910  
1 1 1 -23 7  56 o 31.19033 1.106587  9.783201       0.6892166 10.53430       1.004611  9.115342       0.9473096 2.258934       2.213173  
1 1 1 -23 7  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 8  1  o 49.05305 1.427170  0.000000       0.000000  ?              ?         24.09175       1.400141  ?              ?         
1 1 1 -23 8  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 8  3  o 8.445248 0.6606895 0.7143765      0.1111380 0.7983610      0.1586918 0.6335324      0.1556966 0.9757891      1.321379  
1 1 1 -23 8  4  f 140.9058 1.831092  199.9907       4.906982  201.6599       6.078544  196.8678       8.314213  1.853455       3.662184  
1 1 1 -23 8  5  o 93.68526 1.038441  87.81528       1.944873  89.55321       2.801366  86.19817       2.702242  1.786812       2.076882  
1 1 1 -23 8  6  f 62.09686 0.7497019 38.50913       0.9299474 40.02723       1.356716  37.16383       1.277174  2.303440       1.499404  
1 1 1 -23 8  7  o 74.88136 0.8633634 55.98615       1.290974  58.32882       1.891247  53.94220       1.766552  2.925232       1.726727  
1 1 1 -23 8  8  o 42.01629 0.6008414 17.65797       0.5048723 17.85846       0.7187402 17.46268       0.7093468 0.4707794      1.201683  
1 1 1 -23 8  9  o 33.61668 0.5640166 11.04977       0.3748873 13.26689       0.5843385 9.498857       0.4887238 5.602520       1.128033  
1 1 1 -23 8  10 f 61.37368 0.7495145 37.68576       0.9199761 37.97718       1.307825  37.40031       1.294365  0.4696121      1.499029  
1 1 1 -23 8  11 o 40.37592 0.6647595 15.67531       0.5154164 14.21306       0.6330796 18.54986       0.8876288 -5.364597      1.329519  
1 1 1 -23 8  12 o 90.38833 1.245691  82.86100       2.150555  85.48871       2.693879  78.24382       3.570900  4.045578       2.491383  
1 1 1 -23 8  13 o 52.95719 1.027594  27.99646       1.086836  29.70377       1.587802  26.49135       1.490815  3.029461       2.055188  
1 1 1 -23 8  14 o 95.26840 1.521359  90.93742       2.897662  89.60692       4.032403  92.35804       4.166722  -1.436432      3.042718  
1 1 1 -23 8  15 o 44.52029 0.9685358 19.83701       0.8622866 20.27211       1.227458  19.41307       1.211612  0.9641953      1.937072  
1 1 1 -23 8  16 o 26.37543 0.7938622 6.382256       0.3619965 8.138375       0.7656651 5.876711       0.4108103 4.276567       1.587724  
1 1 1 -23 8  17 o 94.83201 1.057179  90.01855       2.004618  88.82581       2.798506  91.27552       2.872871  -1.288422      2.114359  
1 1 1 -23 8  18 o 51.92828 0.6863238 26.78783       0.7098350 24.92002       0.9522856 29.12323       1.064834  -4.043861      1.372648  
1 1 1 -23 8  19 o 53.53832 0.6982788 28.66202       0.7473927 28.03809       1.039086  29.33083       1.075817  -1.206181      1.396558  
1 1 1 -23 8  20 o 31.06339 0.5887057 9.612744       0.3649697 10.38886       0.5367335 8.945254       0.4977576 2.322622       1.177411  
1 1 1 -23 8  21 o 83.21408 0.9505453 69.07098       1.577643  72.64894       2.338247  66.08103       2.137493  3.937744       1.901091  
1 1 1 -23 8  22 o 82.58174 0.9449400 68.27021       1.560583  68.81483       2.223280  67.74126       2.191067  0.6485977      1.889880  
1 1 1 -23 8  23 f 67.14589 0.8100994 44.92350       1.084563  47.63693       1.612539  42.68213       1.465578  3.683914       1.620199  
1 1 1 -23 8  24 o 45.07094 0.6509198 20.31644       0.5865922 20.72892       0.8416491 19.92683       0.8179900 0.8890572      1.301840  
1 1 1 -23 8  25 o 45.58685 0.6564623 20.79388       0.5985021 20.56220       0.8439039 21.02833       0.8489382 -0.5110893     1.312925  
1 1 1 -23 8  26 o 24.34123 0.6304651 5.923641       0.3067896 6.162370       0.4406861 5.699139       0.4273530 0.9510899      1.260930  
1 1 1 -23 8  27 o 34.15884 0.6162851 11.56852       0.4190973 12.95027       0.6290975 10.46596       0.5619556 3.634159       1.232570  
1 1 1 -23 8  28 o 26.85953 0.6279783 7.154140       0.3357179 8.171722       0.5010292 6.325012       0.4522611 3.436005       1.255957  
1 1 1 -23 8  29 o 46.25951 0.6691851 21.40642       0.6189712 20.77926       0.8660582 22.06126       0.8849630 -1.384911      1.338370  
1 1 1 -23 8  30 o 21.14109 0.6942573 4.451621       0.2927983 4.891379       0.4307944 4.074058       0.3991702 1.931602       1.388515  
1 1 1 -23 8  31 o 50.39365 0.8689458 25.54036       0.8631358 24.77423       1.328334  26.10023       1.135533  -1.327263      1.737892  
1 1 1 -23 8  32 o 46.58957 0.6828556 21.70360       0.6359507 20.95561       0.8828937 22.51016       0.9168048 -1.666721      1.365711  
1 1 1 -23 8  33 o 62.15723 0.7875658 38.66597       0.9786867 39.32683       1.407634  38.04756       1.361655  1.026424       1.575132  
1 1 1 -23 8  34 o 51.46781 0.7136415 26.38192       0.7322283 28.22436       1.090349  24.86846       0.9882215 3.254364       1.427283  
1 1 1 -23 8  35 o 28.72646 0.6599253 8.258100       0.3789352 8.334133       0.5461488 8.187518       0.5261986 0.2540798      1.319851  
1 1 1 -23 8  36 o 66.21562 0.8254806 43.92011       1.093178  43.58855       1.542717  44.25450       1.549279  -0.5023727     1.650961  
1 1 1 -23 8  37 f 35.48091 0.6702200 12.47760       0.4729666 10.91675       0.6356348 14.41377       0.7079443 -4.923271      1.340440  
1 1 1 -23 8  38 o 12.28808 1.106604  1.521394       0.2667267 1.923436       0.3864790 1.155739       0.3685747 3.121717       2.213207  
1 1 1 -23 8  39 o 72.10532 0.8823957 51.85508       1.268441  49.01730       1.712225  55.30679       1.888376  -4.344666      1.764791  
1 1 1 -23 8  40 o 26.97938 0.7303934 7.317526       0.3926919 6.775775       0.5644069 7.825848       0.5467158 -1.947536      1.460787  
1 1 1 -23 8  41 o 54.14573 0.7589585 29.37463       0.8218625 29.05406       1.158951  29.69892       1.165656  -0.5948639     1.517917  
1 1 1 -23 8  42 o 30.67525 0.7022734 9.433180       0.4304878 9.018762       0.6102619 9.843656       0.6073518 -1.344824      1.404547  
1 1 1 -23 8  43 o 58.55687 0.7941301 34.37040       0.9299925 33.90697       1.310985  34.83986       1.319472  -0.7956581     1.588260  
1 1 1 -23 8  44 o 8.645658 1.621750  0.7736218      0.2874042 0.9439553      0.4193376 0.6227281      0.3946837 1.669939       3.243500  
1 1 1 -23 8  45 o 64.79688 0.8439606 42.06674       1.092960  43.22686       1.582058  41.00751       1.511698  1.703865       1.687921  
1 1 1 -23 8  46 f 36.65544 0.7314744 13.42104       0.5348330 12.12649       0.7350531 14.87744       0.7796519 -3.747520      1.462949  
1 1 1 -23 8  47 o 42.45379 0.7388269 18.06865       0.6271768 18.12642       0.8972413 18.01346       0.8770282 0.1305313      1.477654  
1 1 1 -23 8  48 o 17.44160 1.001944  3.030552       0.3446360 3.812658       0.5124773 2.384825       0.4656576 4.085009       2.003888  
1 1 1 -23 8  49 o 38.09184 0.7527825 14.55233       0.5730470 14.52304       0.8265067 14.57945       0.7952200 -0.7823181E-01 1.505565  
1 1 1 -23 8  50 o 20.01546 1.016283  4.082184       0.4005291 3.327312       0.5746401 4.795424       0.5585690 -3.670490      2.032567  
1 1 1 -23 8  51 o 23.88671 1.100648  5.788864       0.5208822 5.346434       0.7729713 6.156893       0.7049904 -1.711298      2.201296  
1 1 1 -23 8  52 o 35.68146 1.045730  12.80391       0.7457112 12.13987       1.037663  13.51314       1.072384  -1.916447      2.091459  
1 1 1 -23 8  53 o 42.30343 1.035356  18.00213       0.8756013 18.45990       1.261260  17.57625       1.216526  1.034218       2.070712  
1 1 1 -23 8  54 o 42.45010 1.050917  18.11113       0.8912704 17.17867       1.228214  19.14833       1.295358  -2.303661      2.101833  
1 1 1 -23 8  55 o 39.74696 1.094101  15.73052       0.8642079 18.08848       1.310001  13.91359       1.149933  5.207809       2.188201  
1 1 1 -23 8  56 o 23.54137 1.872146  0.000000       0.000000  ?              ?         5.609004       0.8814576 ?              ?         
1 1 1 -23 9  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 9  2  o 52.05910 1.054062  27.10573       1.096083  29.10203       1.578194  25.24552       1.523447  3.701397       2.108124  
1 1 1 -23 9  3  o 48.52886 0.9920072 23.57694       0.9627669 23.89290       1.369270  23.26800       1.353975  0.6431770      1.984014  
1 1 1 -23 9  4  o 100.5576 1.595235  101.4301       3.208194  102.0167       4.554995  100.8527       4.519359  0.5762939      3.190471  
1 1 1 -23 9  5  f 111.8848 1.748330  125.2974       3.904173  130.8110       5.748943  120.5780       5.318783  4.541023       3.496660  
1 1 1 -23 9  6  o 77.41559 0.8871754 59.78602       1.370222  57.29295       1.860149  62.74358       2.026034  -3.514244      1.774351  
1 1 1 -23 9  7  o 65.60655 0.7811544 43.06495       1.024871  43.59714       1.462300  42.55116       1.436810  0.7963486      1.562309  
1 1 1 -23 9  8  f 50.98735 0.6657433 25.74474       0.6747233 23.70458       0.8955703 28.42295       1.026099  -4.623493      1.331487  
1 1 1 -23 9  9  o 57.15578 0.7158094 32.68678       0.8182527 32.71281       1.157754  32.66079       1.156615  0.4547119E-01  1.431619  
1 1 1 -23 9  10 o 117.2494 1.271223  137.6965       2.980492  136.2407       4.168883  139.2186       4.262790  -1.265121      2.542447  
1 1 1 -23 9  11 o 92.69017 1.033194  85.96899       1.914481  87.61250       2.757765  84.44012       2.659857  1.707207       2.066387  
1 1 1 -23 9  12 o 124.2474 1.341470  154.6364       3.332521  156.9668       4.782759  152.4373       4.646008  1.815308       2.682940  
1 1 1 -23 9  13 o 19.05410 0.6002953 3.605278       0.2271435 3.047018       0.3082531 4.268546       0.3359957 -3.204735      1.200591  
1 1 1 -23 9  14 f 136.0930 2.087624  186.1050       5.680505  188.9512       8.155146  183.4225       7.917041  2.010239       4.175248  
1 1 1 -23 9  15 o 25.63451 0.5785067 6.374392       0.2915439 5.060003       0.3787471 8.285727       0.4567256 -6.289825      1.157013  
1 1 1 -23 9  16 o 22.56471 0.8672709 5.302283       0.3358118 5.515570       0.3902386 4.693618       0.6592290 1.831028       1.734542  
1 1 1 -23 9  17 o 67.08051 1.008861  46.03428       1.295148  48.78729       1.639928  41.47091       2.111366  5.474174       2.017722  
1 1 1 -23 9  18 o 80.64166 1.344056  65.14713       2.167129  66.60268       3.110109  63.77344       3.021382  1.748833       2.688112  
1 1 1 -23 9  19 f 54.98127 1.053620  29.99029       1.152391  33.05827       1.743414  27.60973       1.535725  4.944942       2.107240  
1 1 1 -23 9  20 o 63.59997 1.142359  40.51537       1.453017  40.12470       2.043594  40.91478       2.066348  -0.6199265     2.284718  
1 1 1 -23 9  21 o 8.538096 1.746899  0.7041913      0.2927590 0.8581185      0.5479220 0.6426897      0.3463415 1.322470       3.493797  
1 1 1 -23 9  22 o 78.17922 1.127362  61.19015       1.647100  61.33267       2.904184  61.12257       1.999839  0.8523560E-01  2.254725  
1 1 1 -23 9  23 o 16.84586 0.7129167 2.801308       0.2381920 3.363276       0.3593113 2.360741       0.3181420 2.974127       1.425833  
1 1 1 -23 9  24 o 62.66290 0.7764024 39.09990       0.9697296 36.97593       1.307321  41.69819       1.445942  -3.762333      1.552805  
1 1 1 -23 9  25 o 121.4756 1.320582  147.9411       3.208114  146.9252       4.502973  148.9883       4.571723  -0.8443298     2.641165  
1 1 1 -23 9  26 o 62.12831 0.7750221 38.63527       0.9630079 38.63966       1.364797  38.63091       1.359019  0.6797791E-02  1.550044  
1 1 1 -23 9  27 o 71.61867 0.8554099 51.34923       1.225217  50.97125       1.723241  51.73563       1.742353  -0.5327072     1.710820  
1 1 1 -23 9  28 f 36.70790 0.6274668 13.46249       0.4602561 12.74597       0.6375499 14.24234       0.6651266 -2.037170      1.254934  
1 1 1 -23 9  29 o 54.99359 0.9863253 30.06161       1.079408  32.63497       1.629080  28.04769       1.441163  4.158512       1.972651  
1 1 1 -23 9  30 o 32.78436 0.6393033 10.74771       0.4187472 10.07614       0.5837201 11.45977       0.6010564 -2.109417      1.278607  
1 1 1 -23 9  31 o 20.94490 0.7133655 4.397604       0.2959427 3.630768       0.4109169 5.223992       0.4265745 -3.802595      1.426731  
1 1 1 -23 9  32 o 48.78635 0.6992279 23.81870       0.6821427 23.23734       0.9565282 24.42035       0.9730753 -1.211601      1.398456  
1 1 1 -23 9  33 f 10.90000 1.215703  1.259881       0.2417009 1.917791       0.3501499 0.6610754      0.3340516 5.871808       2.431405  
1 1 1 -23 9  34 o 66.58212 0.8290188 44.39848       1.103807  44.74232       1.576343  44.06770       1.546133  0.5045013      1.658038  
1 1 1 -23 9  35 o 15.76621 0.8741223 2.454561       0.2712075 3.160341       0.4089109 1.900262       0.3623812 3.992543       1.748245  
1 1 1 -23 9  36 o 49.71465 0.7166854 24.73989       0.7124279 24.04675       0.9965992 25.46429       1.018818  -1.424122      1.433371  
1 1 1 -23 9  37 o 40.71923 0.6794842 16.54988       0.5520859 17.35952       0.8150575 15.86347       0.7504703 1.832481       1.358968  
1 1 1 -23 9  38 f 48.62957 0.7184078 23.52827       0.6963604 21.66374       0.9399542 25.79660       1.036750  -4.241920      1.436816  
1 1 1 -23 9  39 f 29.70900 0.6997255 8.842160       0.4156482 8.626283       0.5889289 9.056413       0.5867080 -0.7240791     1.399451  
1 1 1 -23 9  40 o 28.57476 0.7169244 8.173476       0.4092391 8.296359       0.5951667 8.063275       0.5636237 0.4051380      1.433849  
1 1 1 -23 9  41 o 44.66776 0.7151401 19.98129       0.6387089 19.36259       0.8943717 20.62526       0.9124408 -1.411747      1.430280  
1 1 1 -23 9  42 o 34.72307 0.6996809 11.94087       0.4831005 13.57715       0.7305228 10.66910       0.6440358 4.179356       1.399362  
1 1 1 -23 9  43 o 47.30257 0.7365357 22.40023       0.6964273 21.47305       0.9686394 23.39238       1.002001  -2.025394      1.473071  
1 1 1 -23 9  44 o 35.71593 0.7140386 12.78658       0.5097672 12.27228       0.7198404 13.30398       0.7220037 -1.444088      1.428077  
1 1 1 -23 9  45 o 38.99114 0.7234974 15.24413       0.5639074 14.80817       0.8018999 15.67062       0.7931432 -1.106903      1.446995  
1 1 1 -23 9  46 o 69.36163 0.8842536 48.21606       1.225320  49.63935       1.783882  46.94470       1.685986  1.928452       1.768507  
1 1 1 -23 9  47 o 32.26970 0.7499261 10.44209       0.4837495 10.44971       0.6954589 10.43495       0.6733280 0.1997375E-01  1.499852  
1 1 1 -23 9  48 o 9.339035 1.816150  0.9298374      0.3488529 0.7692093      0.5574892 1.033215       0.4472372 -1.132646      3.632301  
1 1 1 -23 9  49 o 41.88914 0.9657014 17.26011       0.7935489 19.49779       1.279454  15.86119       1.011632  4.293163       1.931403  
1 1 1 -23 9  50 o 18.67522 1.302297  3.526669       0.4855541 3.338651       0.6935150 3.707450       0.6800379 -0.9908638     2.604593  
1 1 1 -23 9  51 o 15.79165 1.402948  2.522732       0.4430040 2.545492       0.6219575 2.499295       0.6311480 0.1489229      2.805895  
1 1 1 -23 9  52 o 35.95847 1.026591  13.01647       0.7382255 12.79576       1.042696  13.23828       1.045326  -0.6147194     2.053182  
1 1 1 -23 9  53 o 31.84890 1.059904  10.18882       0.6739665 9.403099       0.9288568 11.06240       0.9794166 -2.592913      2.119809  
1 1 1 -23 9  54 o 11.23882 1.942709  1.348890       0.4461773 1.844267       0.6329582 0.8596260      0.6290401 3.998065       3.885418  
1 1 1 -23 9  55 o 24.65894 1.189734  6.144270       0.5862042 5.832760       0.8281056 6.457157       0.8299332 -1.265530      2.379468  
1 1 1 -23 9  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 10 1  o 39.02050 0.9529130 15.24488       0.7436020 15.49665       1.053194  14.99462       1.050038  0.6431465      1.905826  
1 1 1 -23 10 2  o 28.80097 0.9949450 8.316190       0.5674112 9.910100       0.8186868 6.842807       0.7871246 5.323532       1.989890  
1 1 1 -23 10 3  f 70.32505 1.222181  49.51807       1.718063  48.57438       2.382776  50.53996       2.479527  -1.392044      2.444363  
1 1 1 -23 10 4  o 30.75989 0.9673164 9.473586       0.5950607 9.387813       0.8429257 9.558799       0.8401670 -0.2780571     1.934633  
1 1 1 -23 10 5  f 142.0518 2.173361  202.8834       6.171294  199.4678       8.562199  206.5762       8.902819  -2.468552      4.346723  
1 1 1 -23 10 6  o 126.0584 1.948913  159.5248       4.909576  156.1484       6.782279  163.2418       7.116126  -2.784256      3.897827  
1 1 1 -23 10 7  o 126.5515 1.956796  160.3801       4.938334  154.1593       6.686014  167.8476       7.325417  -5.352127      3.913592  
1 1 1 -23 10 8  o 32.99186 0.5476740 10.88891       0.3613685 10.96566       0.5109683 10.81211       0.5111362 0.2327003      1.095348  
1 1 1 -23 10 9  o 56.19910 0.7069600 31.48527       0.7926906 29.98249       1.076291  33.26679       1.171864  -2.919018      1.413920  
1 1 1 -23 10 10 o 70.33118 0.8276373 49.49898       1.164035  50.03386       1.661905  48.98385       1.630921  0.7453308      1.655275  
1 1 1 -23 10 11 o 91.23166 1.020210  83.33182       1.861351  84.05223       2.653373  82.63379       2.611815  0.7754898      2.040420  
1 1 1 -23 10 12 o 57.16040 0.7217154 32.67707       0.8247898 32.04527       1.148240  33.35056       1.185511  -1.140583      1.443431  
1 1 1 -23 10 13 o 129.4810 1.394651  167.9698       3.609941  171.1218       5.201438  165.0407       5.014166  2.336533       2.789302  
1 1 1 -23 10 14 o 132.4737 1.425364  175.7001       3.772015  171.1479       5.185760  180.8146       5.496676  -3.628525      2.850728  
1 1 1 -23 10 15 o 130.4554 2.009675  171.0281       5.242533  173.1597       7.499899  168.9913       7.331105  1.582260       4.019349  
1 1 1 -23 10 16 o 66.72011 0.8016758 44.07157       1.061724  40.85615       1.400987  48.40977       1.627311  -5.652359      1.603352  
1 1 1 -23 10 17 o 68.76553 0.8216498 47.24048       1.128591  45.65781       1.549241  49.03009       1.647417  -2.448265      1.643300  
1 1 1 -23 10 18 o 35.36079 0.5962448 12.29646       0.4180484 14.40294       0.6425081 10.75000       0.5505149 5.162647       1.192490  
1 1 1 -23 10 19 o 96.06803 1.070466  92.43418       2.056728  92.22848       2.900642  92.64217       2.916730  -0.2144928     2.140931  
1 1 1 -23 10 20 f 42.34327 0.6314853 17.87687       0.5338418 16.78809       0.7298955 19.12924       0.7828117 -2.762825      1.262971  
1 1 1 -23 10 21 o 98.32991 1.092922  96.82880       2.148895  95.64806       3.002354  98.06896       3.077013  -1.226830      2.185845  
1 1 1 -23 10 22 o 102.2133 1.228421  104.4201       2.473934  103.0568       3.222356  106.3772       3.860935  -1.583107      2.456841  
1 1 1 -23 10 23 o 70.22269 1.066688  47.56694       1.338702  45.47676       1.557324  53.48330       2.620078  -5.640778      2.133376  
1 1 1 -23 10 24 o 15.12361 1.410493  2.245881       0.4210927 2.827703       0.6461908 1.816449       0.5551531 3.336308       2.820985  
1 1 1 -23 10 25 o 46.22692 1.014303  21.20732       0.9332767 23.58193       1.404955  19.33199       1.248550  4.587921       2.028605  
1 1 1 -23 10 26 f 108.9738 1.723935  119.3293       3.756988  118.5149       5.274117  120.1683       5.353131  -0.7505798     3.447871  
1 1 1 -23 10 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 10 28 o 49.33797 1.056102  24.37960       1.041781  23.61167       1.453588  25.19065       1.493837  -1.597271      2.112203  
1 1 1 -23 10 29 o 55.41967 0.9853159 30.99927       1.070336  29.57435       1.669214  31.99424       1.394837  -2.202087      1.970632  
1 1 1 -23 10 30 o 55.51975 0.9388428 30.11301       0.9435369 32.67581       1.794027  29.13307       1.109356  3.146034       1.877686  
1 1 1 -23 10 31 o 8.722088 1.770763  0.7194043      0.2742791 0.8634996      0.6275352 0.6853769      0.3049491 1.241807       3.541525  
1 1 1 -23 10 32 o 39.00888 0.7155502 15.37300       0.5524610 13.03990       0.7905667 17.59982       0.7723475 -5.845764      1.431100  
1 1 1 -23 10 33 o 53.44714 0.7333992 28.60087       0.7837576 28.68595       1.122043  28.51981       1.095244  0.1537476      1.466798  
1 1 1 -23 10 34 o 61.23524 0.7914993 37.31870       0.9658518 34.80293       1.300150  40.41681       1.442802  -4.573692      1.582999  
1 1 1 -23 10 35 f 78.78590 0.9335349 62.19177       1.470456  63.29737       2.114254  61.15592       2.046479  1.352829       1.867070  
1 1 1 -23 10 36 o 17.40208 0.8552181 3.030410       0.2963654 3.435570       0.4285026 2.658876       0.4103353 2.230000       1.710436  
1 1 1 -23 10 37 o 51.33679 0.7299235 26.32399       0.7479727 27.52339       1.100425  25.29399       1.019761  2.165089       1.459847  
1 1 1 -23 10 38 o 54.81044 0.7539169 29.98703       0.8245048 31.65406       1.218162  28.57769       1.120058  2.798038       1.507834  
1 1 1 -23 10 39 o 32.78309 0.6844592 10.72717       0.4479991 11.50508       0.6562345 10.04817       0.6130959 2.218504       1.368918  
1 1 1 -23 10 40 o 26.77715 0.7544688 7.212939       0.4021945 6.816036       0.5874269 7.563184       0.5518195 -1.398521      1.508938  
1 1 1 -23 10 41 f 56.71696 0.7815095 31.96566       0.8817310 34.89928       1.334229  29.69110       1.174836  4.574699       1.563019  
1 1 1 -23 10 42 o 28.41311 0.7448777 8.087797       0.4222003 7.327064       0.5890737 8.891350       0.6054248 -2.751093      1.489755  
1 1 1 -23 10 43 o 17.00991 1.078115  2.980115       0.3519050 2.621815       0.5655335 3.206507       0.4495374 -1.736261      2.156230  
1 1 1 -23 10 44 o 51.96346 1.023207  27.11950       1.063376  27.09165       1.506974  27.14713       1.500727  -0.5432510E-01 2.046415  
1 1 1 -23 10 45 o 46.66311 0.9879205 21.85092       0.9214094 22.36545       1.331964  21.37873       1.275978  1.048553       1.975841  
1 1 1 -23 10 46 o 35.28161 0.9622028 12.48563       0.6778209 12.81216       0.9926379 12.20035       0.9278094 0.8562469      1.924406  
1 1 1 -23 10 47 o 13.37041 1.554947  1.853791       0.4009049 1.534172       0.5697603 2.167213       0.5642108 -2.566998      3.109893  
1 1 1 -23 10 48 o 44.31551 0.9255593 19.73977       0.8140789 19.85106       1.087996  19.59821       1.227073  0.3084526      1.851119  
1 1 1 -23 10 49 o 23.29084 1.039740  5.408779       0.4771628 5.728838       0.7504793 5.191596       0.6182106 1.126688       2.079481  
1 1 1 -23 10 50 o 30.00971 1.034783  8.980350       0.6182218 9.970513       0.9293131 8.194270       0.8280226 2.938398       2.069566  
1 1 1 -23 10 51 o 16.82295 1.422922  2.864895       0.4785269 2.991752       0.6840029 2.743287       0.6697022 0.7339420      2.845843  
1 1 1 -23 10 52 o 21.40649 1.233398  4.587719       0.5257372 5.201893       0.7830638 4.083673       0.7093927 2.591808       2.466796  
1 1 1 -23 10 53 o 53.30592 1.119562  28.64350       1.192908  28.85858       1.718973  28.44370       1.656797  0.3728790      2.239124  
1 1 1 -23 10 54 o 17.48334 1.551332  3.043714       0.5363508 3.581472       0.8380252 2.670601       0.6980460 2.550062       3.102665  
1 1 1 -23 10 55 o 24.05282 2.873281  0.000000       0.000000  ?              ?         5.950948       1.382210  ?              ?         
1 1 1 -23 11 1  f 91.77116 1.490729  84.34722       2.732634  87.25980       3.988353  81.77023       3.751563  2.972687       2.981459  
1 1 1 -23 11 2  o 53.94785 1.066123  29.14494       1.150172  28.74402       1.611960  29.56074       1.641623  -0.7553596     2.132246  
1 1 1 -23 11 3  o 95.05141 1.533690  90.47443       2.911081  87.75592       3.986015  93.58178       4.261564  -3.043655      3.067381  
1 1 1 -23 11 4  f 55.69975 1.076627  31.01266       1.197533  30.02404       1.639855  32.14233       1.752930  -1.895607      2.153255  
1 1 1 -23 11 5  f 46.31863 1.007190  21.48053       0.9329461 21.88954       1.327747  21.08167       1.311179  0.8712769      2.014380  
1 1 1 -23 11 6  o 49.07622 1.030486  24.04078       1.009803  25.75100       1.477232  22.54065       1.383523  3.266186       2.060973  
1 1 1 -23 11 7  o 89.01820 1.455087  79.46049       2.590490  80.17400       3.682400  78.76144       3.644899  0.7908401      2.910174  
1 1 1 -23 11 8  o 85.14522 1.405509  72.41190       2.386465  69.29980       3.229473  76.15569       3.542090  -4.005379      2.811019  
1 1 1 -23 11 9  o 67.36882 0.8014727 45.42416       1.079884  45.53181       1.527596  45.31664       1.526776  0.1596756      1.602945  
1 1 1 -23 11 10 o 82.36681 0.9370427 67.72590       1.540210  65.15161       2.095686  70.74963       2.271266  -3.390533      1.874085  
1 1 1 -23 11 11 o 33.84511 0.5685773 11.35958       0.3831832 10.26965       0.5146628 12.71524       0.5739832 -3.611324      1.137155  
1 1 1 -23 11 12 f 44.15546 0.6262695 19.48316       0.5527114 18.80196       0.7653891 20.22549       0.7989975 -1.610966      1.252539  
1 1 1 -23 11 13 o 21.86152 0.5692945 4.777138       0.2487982 4.969075       0.3576781 4.597213       0.3463050 0.8501873      1.138589  
1 1 1 -23 11 14 o 115.6833 1.258970  134.0741       2.912144  135.8182       4.173474  132.4191       4.065437  1.462654       2.517941  
1 1 1 -23 11 15 f 72.19205 0.8521599 52.01549       1.227809  49.92864       1.671957  54.45814       1.808883  -3.131462      1.704320  
1 1 1 -23 11 16 o 77.90907 0.9035657 60.76577       1.407900  60.49244       1.984754  61.04261       1.997449  -0.3525162     1.807131  
1 1 1 -23 11 17 o 90.52927 1.019614  81.70393       1.839552  77.92558       2.478856  86.33513       2.744403  -4.631073      2.039227  
1 1 1 -23 11 18 o 27.30690 0.5866517 7.449486       0.3200162 6.959613       0.4441102 7.978553       0.4615350 -1.865194      1.173303  
1 1 1 -23 11 19 o 58.59467 0.7396568 34.35098       0.8666382 34.87640       1.240309  33.84974       1.211425  0.8749580      1.479314  
1 1 1 -23 11 20 o 70.66182 0.8405620 49.98229       1.187877  50.20807       1.687800  49.76069       1.672133  0.3158646      1.681124  
1 1 1 -23 11 21 o 66.19995 0.8051443 43.85398       1.065778  44.50461       1.526767  43.23561       1.488440  0.9567871      1.610289  
1 1 1 -23 11 22 o 53.97356 0.7112855 29.10685       0.7670304 28.14017       1.055987  30.18650       1.115988  -1.893337      1.422571  
1 1 1 -23 11 23 o 50.00295 0.6852312 25.02147       0.6852666 24.88716       0.9677908 25.15652       0.9704413 -0.2692490     1.370462  
1 1 1 -23 11 24 o 44.29127 0.6536686 19.53749       0.5776214 18.22311       0.7847617 21.09145       0.8532950 -3.235413      1.307337  
1 1 1 -23 11 25 o 42.06071 0.8404459 17.69630       0.7065496 18.17114       1.021584  17.26089       0.9782483 1.079792       1.680892  
1 1 1 -23 11 26 o 17.28802 0.7306660 2.965589       0.2505780 3.555597       0.3722169 2.476570       0.3388677 3.119110       1.461332  
1 1 1 -23 11 27 o 18.38863 0.7255159 3.401387       0.2646267 2.889292       0.3731082 3.919736       0.3753794 -2.801741      1.451032  
1 1 1 -23 11 28 o 59.27554 0.7631631 35.00166       0.9019518 33.03787       1.218452  37.38216       1.341514  -3.657909      1.526326  
1 1 1 -23 11 29 o 71.83742 0.8634077 51.67756       1.240382  52.16304       1.769026  51.20803       1.739673  0.6628799      1.726815  
1 1 1 -23 11 30 o 36.40082 0.6471435 13.17701       0.4695952 11.98770       0.6361064 14.60151       0.6961657 -3.587303      1.294287  
1 1 1 -23 11 31 o 80.22731 1.025569  63.82061       1.606330  61.44239       2.042243  67.67892       2.601240  -3.839577      2.051139  
1 1 1 -23 11 32 o 36.01276 0.8765739 12.60937       0.5650713 12.16001       0.6591450 13.85522       1.097541  -2.321053      1.753148  
1 1 1 -23 11 33 o 94.57199 1.346776  88.15840       2.327269  85.77699       2.758103  94.04545       4.336514  -4.179222      2.693551  
1 1 1 -23 11 34 f 21.76102 0.9810439 4.585361       0.3881179 4.373475       0.4563985 5.138870       0.7376582 -1.731447      1.962088  
1 1 1 -23 11 35 f 83.51105 1.417606  70.09655       2.366323  68.54443       3.278868  71.78366       3.418467  -1.918755      2.835211  
1 1 1 -23 11 36 o 57.77386 1.150218  33.35011       1.324824  35.49725       1.971922  31.58357       1.788628  3.364521       2.300437  
1 1 1 -23 11 37 o 38.28127 1.066459  14.64888       0.8143643 15.50531       1.206238  13.93157       1.103922  2.043163       2.132917  
1 1 1 -23 11 38 o 19.04479 1.857382  3.513975       0.6237846 4.003327       1.249122  3.351398       0.7199864 1.595879       3.714764  
1 1 1 -23 11 39 f 55.52424 1.649783  0.000000       0.000000  ?              ?         30.98002       1.832059  ?              ?         
1 1 1 -23 11 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 11 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 11 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 11 43 f 36.45878 1.727793  13.37466       1.259864  13.37466       1.259864  ?              ?         ?              ?         
1 1 1 -23 11 44 o 29.85960 1.448067  9.310903       0.8341331 11.27009       1.131220  6.976248       1.234868  7.212645       2.896134  
1 1 1 -23 11 45 o 14.69796 2.056860  2.245133       0.5797064 2.598430       0.8846000 1.979198       0.7674762 2.039327       4.113720  
1 1 1 -23 11 46 o 12.18914 2.239869  1.544998       0.5629787 2.105971       0.8310318 1.069182       0.7653607 3.797038       4.479738  
1 1 1 -23 11 47 o 17.54346 2.202515  3.089293       0.6942778 3.516279       1.285690  2.913528       0.8248886 1.201586       4.405030  
1 1 1 -23 11 48 f 25.20104 1.883354  0.000000       0.000000  ?              ?         6.411671       0.9492496 ?              ?         
1 1 1 -23 11 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 11 50 o 13.43833 3.940706  1.931880       1.127151  1.931880       1.127151  ?              ?         ?              ?         
1 1 1 -23 11 51 o 11.05340 3.970140  1.115287       1.120369  1.115287       1.120369  ?              ?         ?              ?         
1 1 1 -23 11 52 o 6.220345 2.850956  -0.5514089     0.8083774 -0.5514089     0.8083774 ?              ?         ?              ?         
1 1 1 -23 11 53 o 6.229409 2.015524  -0.5098941     0.5642201 -0.6535930     0.8340300 -0.3886369     0.7661412 -0.1113491     4.031048  
1 1 1 -23 11 54 o 27.73458 1.256018  7.802454       0.6870210 7.609057       1.056271  7.944262       0.9044821 -0.6506634     2.512037  
1 1 1 -23 11 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 12 1  o 28.53237 1.033110  8.140032       0.5887152 8.773230       0.8507078 7.558098       0.8155429 2.127415       2.066220  
1 1 1 -23 12 2  o 36.16678 0.9856532 12.95367       0.7085070 11.81499       0.9400816 14.45090       1.077973  -3.636753      1.971306  
1 1 1 -23 12 3  o 20.97212 1.191685  4.389957       0.4976801 3.847628       0.6824937 5.005820       0.7272922 -2.758419      2.383369  
1 1 1 -23 12 4  o 90.66891 1.482260  82.29555       2.682973  79.63158       3.663603  85.37672       3.940055  -3.146507      2.964520  
1 1 1 -23 12 5  o 125.9013 1.955278  159.3512       4.922193  161.8943       7.058452  156.9437       6.867538  1.946480       3.910557  
1 1 1 -23 12 6  o 68.20299 1.211910  46.56025       1.651353  45.46803       2.273569  47.77984       2.402494  -1.686684      2.423821  
1 1 1 -23 12 7  o 33.83582 0.9860744 11.46140       0.6665108 11.39573       0.9193531 11.53415       0.9676799 -0.2020912     1.972149  
1 1 1 -23 12 8  o 49.02858 1.024661  24.05179       1.004142  23.44774       1.390722  24.70967       1.451360  -1.283749      2.049322  
1 1 1 -23 12 9  o 38.48351 0.9689531 14.69528       0.7423389 13.33762       0.9947962 16.40127       1.115130  -3.974514      1.937906  
1 1 1 -23 12 10 o 69.59689 0.8227412 48.40485       1.143961  50.14690       1.665876  46.85032       1.573670  2.364479       1.645482  
1 1 1 -23 12 11 o 51.52457 0.6785257 26.15853       0.6925908 23.74507       0.9064291 29.54427       1.073596  -5.621799      1.357051  
1 1 1 -23 12 12 o 81.20183 0.9298155 65.66426       1.504304  69.98498       2.249913  62.17126       2.022955  4.800446       1.859631  
1 1 1 -23 12 13 o 47.17216 0.6531479 21.83839       0.6089858 25.10369       0.9547416 19.59859       0.7907292 5.829563       1.306296  
1 1 1 -23 12 14 o 109.9657 1.203915  121.0502       2.645499  124.2417       3.838711  118.1633       3.650948  2.751961       2.407830  
1 1 1 -23 12 15 o 57.88102 0.7316953 33.49964       0.8465599 34.39046       1.222259  32.67826       1.173653  1.477192       1.463391  
1 1 1 -23 12 16 o 50.21029 0.7494746 24.53629       0.7238231 27.72143       1.232713  22.86025       0.8942080 4.827309       1.498949  
1 1 1 -23 12 17 o 28.93440 0.5891435 8.295351       0.3392127 9.249972       0.5115545 7.546193       0.4531721 2.942358       1.178287  
1 1 1 -23 12 18 o 14.02277 0.7891814 1.932197       0.2144890 2.712840       0.3270091 1.342763       0.2841524 4.883395       1.578363  
1 1 1 -23 12 19 o 67.16211 0.8160759 45.10345       1.095380  43.88874       1.514011  46.43769       1.586749  -1.894341      1.632152  
1 1 1 -23 12 20 o 51.76301 0.6982344 26.73937       0.7217804 25.39921       0.9886720 28.26877       1.056171  -2.769188      1.396469  
1 1 1 -23 12 21 o 76.91527 0.9026750 59.23823       1.388588  59.11201       1.963228  59.36459       1.964293  -0.1641388     1.805350  
1 1 1 -23 12 22 o 30.79967 0.6250387 9.493237       0.3843656 8.773571       0.5386711 10.23972       0.5486152 -2.379761      1.250077  
1 1 1 -23 12 23 o 109.7374 1.688347  121.0414       3.705491  120.7567       5.235205  121.3272       5.245520  -0.2588043     3.376693  
1 1 1 -23 12 24 o 34.13669 0.6311567 11.66664       0.4307413 11.39908       0.6127768 11.92797       0.6056070 -0.7749710     1.262313  
1 1 1 -23 12 25 o 90.62523 1.030079  82.02967       1.862273  85.97761       2.754882  78.70749       2.527134  3.994629       2.060157  
1 1 1 -23 12 26 f 79.63062 0.9327257 63.50006       1.485161  62.60168       2.074662  64.44434       2.126985  -1.153587      1.865451  
1 1 1 -23 12 27 o 29.67089 0.7303795 9.083426       0.4197582 7.375433       0.6392500 10.37812       0.5565589 -5.064178      1.460759  
1 1 1 -23 12 28 o 47.75101 0.6872849 22.82431       0.6563455 22.54567       0.9260483 23.10558       0.9303926 -0.5860481     1.374570  
1 1 1 -23 12 29 o 53.30728 0.7214639 28.34313       0.7675912 26.78340       1.045332  30.16823       1.130771  -3.169819      1.442928  
1 1 1 -23 12 30 o 57.23633 0.7556355 32.80463       0.8649958 32.79671       1.222842  32.81257       1.223736  -0.1379776E-01 1.511271  
1 1 1 -23 12 31 o 47.28529 0.6930782 22.34929       0.6548942 21.45229       0.9041093 23.33945       0.9499076 -1.992691      1.386156  
1 1 1 -23 12 32 o 98.68999 1.112604  97.39919       2.190355  93.51469       2.971391  102.0219       3.241457  -4.281464      2.225207  
1 1 1 -23 12 33 o 42.48065 0.6786571 18.06935       0.5765787 17.87477       0.8127925 18.26644       0.8180435 -0.4606285     1.357314  
1 1 1 -23 12 34 o 66.67487 0.9861398 45.27501       1.281996  41.14415       1.999490  48.15853       1.670559  -5.293716      1.972280  
1 1 1 -23 12 35 o 7.001471 1.672683  0.4597225      0.2782657 0.4571580      0.3868281 0.4624727      0.4005866 -0.6992960E-01 3.345367  
1 1 1 -23 12 36 o 35.98252 0.8599114 12.94890       0.6180783 12.15536       0.8524510 13.82848       0.8974754 -2.320457      1.719823  
1 1 1 -23 12 37 o 21.46776 0.9361076 4.598619       0.3946820 5.902596       0.5833841 3.498046       0.5359563 5.595091       1.872215  
1 1 1 -23 12 38 o 58.97289 1.324116  34.81449       1.448043  35.49225       2.599748  34.50964       1.743544  0.6904030      2.648231  
1 1 1 -23 12 39 o 29.05010 0.8364065 8.327903       0.4802041 7.649225       0.6238204 9.314939       0.7523055 -2.852531      1.672813  
1 1 1 -23 12 40 o 46.48103 1.129224  21.71110       1.049729  21.52099       1.481811  21.90261       1.487287  -0.4096603     2.258448  
1 1 1 -23 12 41 o 62.11140 0.8264273 38.61349       1.024970  39.89280       1.501101  37.49605       1.402928  1.917759       1.652855  
1 1 1 -23 12 42 o 9.404196 1.542064  0.9874133      0.3088612 0.3566358      0.4799642 1.433238       0.4035088 -5.064624      3.084127  
1 1 1 -23 12 43 o 45.11084 0.7489074 20.35812       0.6746077 21.11399       0.9881757 19.69837       0.9232126 1.561493       1.497815  
1 1 1 -23 12 44 o 27.67098 0.7931072 7.687389       0.4352345 7.622718       0.6581397 7.737655       0.5802258 -0.2182121     1.586214  
1 1 1 -23 12 45 o 10.04859 1.691136  1.086856       0.3306124 0.9304600      0.5319289 1.185303       0.4220299 -1.217558      3.382272  
1 1 1 -23 12 46 o 27.18228 0.8895857 7.525969       0.4688502 6.948183       0.7460698 7.903076       0.6027368 -1.778847      1.779171  
1 1 1 -23 12 47 o 46.45684 0.9736969 21.94480       0.8772852 20.59962       1.402041  22.81036       1.124656  -2.429707      1.947394  
1 1 1 -23 12 48 o 16.16550 1.503418  2.556094       0.4759328 3.106064       0.7757677 2.224164       0.6026790 2.675754       3.006836  
1 1 1 -23 12 49 o 38.95255 1.045126  15.34513       0.8085775 14.55462       1.197658  16.00724       1.096084  -1.887070      2.090252  
1 1 1 -23 12 50 o 20.65936 1.308852  4.255509       0.5241620 4.548017       0.8661878 4.086511       0.6583944 1.056862       2.617704  
1 1 1 -23 12 51 o 29.13340 1.151573  8.582892       0.6600924 8.426807       1.025122  8.693449       0.8627570 -0.4997940     2.303146  
1 1 1 -23 12 52 o 17.27809 1.618978  3.110583       0.5384167 2.741693       0.8579883 3.350220       0.6915285 -1.825275      3.237956  
1 1 1 -23 12 53 o 17.95145 1.563540  3.061821       0.5424480 4.291390       0.9173101 2.400646       0.6726639 5.171468       3.127081  
1 1 1 -23 12 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 13 1  o 27.46634 1.079311  7.539704       0.5906965 8.500257       0.8575525 6.672483       0.8148261 3.324560       2.158622  
1 1 1 -23 13 2  o 38.70055 1.009723  14.97043       0.7806589 14.31279       1.073658  15.70811       1.137110  -1.799007      2.019446  
1 1 1 -23 13 3  o 31.79430 1.028618  10.12419       0.6537820 10.07097       0.9097717 10.18104       0.9401512 -0.1713200     2.057236  
1 1 1 -23 13 4  o 63.01322 1.166453  39.74149       1.468708  38.66602       2.025373  40.93421       2.132932  -1.792770      2.332906  
1 1 1 -23 13 5  o 132.5077 2.049673  176.4241       5.423669  171.4127       7.429131  182.1433       7.936428  -3.991577      4.099347  
1 1 1 -23 13 6  f 61.22787 1.144945  37.11110       1.390568  34.21989       1.829532  41.06627       2.139849  -5.571381      2.289890  
1 1 1 -23 13 7  o 122.4779 1.909822  150.7469       4.675369  147.9485       6.478080  153.7892       6.754521  -2.355515      3.819644  
1 1 1 -23 13 8  o 78.52245 1.333256  61.42595       2.083511  58.03345       2.784619  65.74078       3.140420  -4.881851      2.666512  
1 1 1 -23 13 9  o 117.6258 1.842961  139.0577       4.335128  140.6880       6.186735  137.4852       6.076348  1.350365       3.685923  
1 1 1 -23 13 10 o 79.03740 1.340967  62.57644       2.117630  61.25776       2.918826  64.04190       3.076993  -1.749741      2.681935  
1 1 1 -23 13 11 o 17.09770 0.5395750 2.873942       0.1822226 3.603706       0.2768814 2.316352       0.2420250 3.763680       1.079150  
1 1 1 -23 13 12 o 89.75801 1.010979  80.51626       1.811972  83.68851       2.655043  77.75066       2.479034  3.297989       2.021958  
1 1 1 -23 13 13 f 138.4211 1.487203  192.1919       4.115986  194.9693       5.907918  189.5724       5.737585  1.935532       2.974407  
1 1 1 -23 13 14 o 44.25299 0.6396938 19.31710       0.5615197 21.82649       0.8644337 17.48533       0.7385576 4.900490       1.279388  
1 1 1 -23 13 15 o 144.7809 1.552101  210.4050       4.494208  211.1735       6.379393  209.6479       6.332408  0.5228119      3.104202  
1 1 1 -23 13 16 o 51.67371 0.6938828 26.71861       0.7170110 26.92782       1.024065  26.51742       1.004238  0.3963280      1.387766  
1 1 1 -23 13 17 o 14.24611 0.7406936 1.974882       0.2051213 2.768244       0.3177641 1.408144       0.2685719 4.771528       1.481387  
1 1 1 -23 13 18 o 81.68140 0.9434114 66.81564       1.541155  67.11979       2.187559  66.51591       2.171574  0.3687668      1.886823  
1 1 1 -23 13 19 o 35.71075 0.7937105 12.41612       0.5590250 10.35810       0.7253742 15.42629       0.8772695 -7.088814      1.587421  
1 1 1 -23 13 20 o 110.2638 1.547311  122.3856       3.361440  120.4492       5.201215  123.7745       4.404977  -1.586182      3.094622  
1 1 1 -23 13 21 o 40.77076 0.6442258 16.52548       0.5233335 17.92858       0.7827123 15.39111       0.7037758 3.108459       1.288452  
1 1 1 -23 13 22 o 86.88652 0.9949295 75.45641       1.725771  78.56215       2.534878  72.77324       2.356129  3.318909       1.989859  
1 1 1 -23 13 23 o 37.15314 0.6380208 13.80574       0.4738298 14.07252       0.6837888 13.55931       0.6571953 0.6894722      1.276042  
1 1 1 -23 13 24 f 94.96831 1.070312  90.13288       2.028404  94.16933       2.991374  86.69720       2.759794  3.916649       2.140624  
1 1 1 -23 13 25 o 101.1007 1.129024  102.4415       2.282263  103.9673       3.274707  101.0005       3.182482  1.459785       2.258047  
1 1 1 -23 13 26 o 71.73981 0.8659461 51.53054       1.242069  52.27077       1.783425  50.83331       1.730855  0.9983826      1.731892  
1 1 1 -23 13 27 o 81.65661 0.9517496 66.76498       1.553533  65.28065       2.155254  68.37025       2.241329  -1.885193      1.903499  
1 1 1 -23 13 28 o 42.54050 0.6680505 18.02861       0.5669759 16.55889       0.7726535 19.74332       0.8345714 -3.739346      1.336101  
1 1 1 -23 13 29 o 33.68522 0.6559173 11.34436       0.4408831 11.56712       0.6484388 11.15284       0.6012387 0.6122169      1.311835  
1 1 1 -23 13 30 o 43.43684 0.7992811 19.16922       0.6704235 17.80850       1.080144  20.02194       0.8550621 -2.564362      1.598562  
1 1 1 -23 13 31 o 32.43043 0.8495755 10.56073       0.5498554 9.911162       0.7852831 11.18553       0.7701631 -1.966043      1.699151  
1 1 1 -23 13 32 o 65.07220 1.116858  42.47800       1.452627  43.07990       2.097373  41.92310       2.013822  0.8791428      2.233715  
1 1 1 -23 13 33 o 39.37148 0.8875779 15.48263       0.6969728 13.95661       0.9573526 17.20355       1.016655  -4.117901      1.775156  
1 1 1 -23 13 34 o 61.81906 1.089220  38.32333       1.345379  39.11102       1.953766  37.61299       1.855353  1.199718       2.178441  
1 1 1 -23 13 35 o 43.11157 0.8116658 18.56116       0.6796441 18.35626       0.8614299 18.89901       1.106139  -0.6063690     1.623332  
1 1 1 -23 13 36 o 43.66018 0.7077910 18.97461       0.6153556 20.35971       0.9242348 17.87169       0.8247295 2.840618       1.415582  
1 1 1 -23 13 37 o 41.44498 0.7082657 17.17851       0.5861402 17.71370       0.8582805 16.71076       0.8023936 1.204815       1.416531  
1 1 1 -23 13 38 o 30.28092 0.7177436 9.108645       0.4320078 9.880754       0.6566172 8.519321       0.5736550 2.239954       1.435487  
1 1 1 -23 13 39 o 20.99812 0.8561423 4.484999       0.3529312 4.031170       0.5369623 4.830175       0.4682947 -1.910553      1.712285  
1 1 1 -23 13 40 o 28.44138 1.207864  8.125920       0.6857831 8.315982       1.005627  7.960692       0.9376273 0.6127357      2.415729  
1 1 1 -23 13 41 o 21.10798 0.8772009 4.448844       0.3641040 4.582041       0.5733529 4.358827       0.4713464 0.5156345      1.754402  
1 1 1 -23 13 42 o 62.45438 0.8337204 38.88079       1.036607  41.60632       1.559171  36.72169       1.387727  3.888149       1.667441  
1 1 1 -23 13 43 o 9.205941 1.698187  0.8858227      0.3089212 0.8965190      0.5072051 0.8795149      0.3895013 0.1212044      3.396374  
1 1 1 -23 13 44 o 27.95609 0.7916822 7.829833       0.4391544 7.918773       0.6658216 7.761349       0.5842577 0.2701950      1.583364  
1 1 1 -23 13 45 o 36.09370 0.8177073 12.99373       0.5759895 13.42176       0.9284819 12.72595       0.7343805 0.9357338      1.635415  
1 1 1 -23 13 46 o 21.58655 1.089765  4.548790       0.4352678 5.058748       0.8003058 4.334578       0.5186915 1.620022       2.179530  
1 1 1 -23 13 47 o 17.98989 1.334455  3.207333       0.4623796 3.493991       0.7793108 3.051599       0.5744076 1.175306       2.668910  
1 1 1 -23 13 48 o 47.22722 1.042552  22.37021       0.9784989 23.12147       1.479246  21.78575       1.304737  1.375858       2.085104  
1 1 1 -23 13 49 o 42.48414 1.030249  18.07280       0.8662772 18.82232       1.335752  17.52872       1.138059  1.477207       2.060497  
1 1 1 -23 13 50 o 10.30307 2.082739  1.127034       0.4391222 1.012741       0.7542866 1.185629       0.5400806 -0.5333624     4.165477  
1 1 1 -23 13 51 o 6.001670 1.906481  -0.2843878     0.4592747 -0.2114063     0.7591294 -0.3265240     0.5768160 1.192338       3.812962  
1 1 1 -23 13 52 f 69.84036 1.277482  49.08714       1.775648  51.79533       2.672042  46.94545       2.376201  3.377617       2.554964  
1 1 1 -23 13 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 14 1  o 90.62288 1.499186  82.48673       2.717116  82.23685       3.824265  82.74148       3.861167  -0.2745667     2.998373  
1 1 1 -23 14 2  f 18.44281 1.363452  3.423189       0.5011548 3.557678       0.6892847 3.272368       0.7299413 0.7772655      2.726905  
1 1 1 -23 14 3  o 66.60564 1.217053  44.45906       1.620757  45.71928       2.326052  43.26982       2.259585  1.833427       2.434106  
1 1 1 -23 14 4  o 48.04351 1.056346  22.95832       1.010308  21.43769       1.351578  24.88396       1.520953  -3.575092      2.112692  
1 1 1 -23 14 5  o 82.97687 1.398478  69.03878       2.319673  70.68663       3.345563  67.51314       3.219115  1.901176       2.796957  
1 1 1 -23 14 6  f 57.30622 1.122014  32.88947       1.285523  33.96262       1.845510  31.87799       1.791693  1.815132       2.244028  
1 1 1 -23 14 7  f 51.54659 1.079637  26.19973       1.102388  23.68102       1.442248  29.73907       1.709669  -5.858715      2.159274  
1 1 1 -23 14 8  o 75.02068 1.306347  56.39819       1.958670  55.28544       2.709649  57.61586       2.834525  -1.543365      2.612695  
1 1 1 -23 14 9  o 17.90663 1.370518  3.178347       0.4815048 2.398693       0.6458537 4.153954       0.7224710 -4.894946      2.741036  
1 1 1 -23 14 10 o 88.09090 1.462676  77.86945       2.576537  77.27106       3.605457  78.49397       3.683338  -0.6872940     2.925353  
1 1 1 -23 14 11 o 54.36876 1.097233  29.52297       1.191086  31.41926       1.746477  27.87403       1.628594  3.252586       2.194465  
1 1 1 -23 14 12 o 88.37796 1.000450  78.24044       1.768354  78.33726       2.502250  78.14384       2.499412  0.1092529      2.000900  
1 1 1 -23 14 13 o 61.54172 0.7653365 37.91224       0.9419979 37.89972       1.330035  37.92485       1.334348  -0.2022171E-01 1.530673  
1 1 1 -23 14 14 o 51.67107 0.8960858 26.73342       0.9258567 26.90136       1.324110  26.57276       1.295091  0.3163605      1.792172  
1 1 1 -23 14 15 o 70.73749 1.139743  50.15564       1.612425  50.06549       2.285755  50.24494       2.274909  -0.1276321     2.279487  
1 1 1 -23 14 16 o 13.85112 0.7494454 1.830289       0.1994420 2.755363       0.3188706 1.235847       0.2556118 5.482133       1.498891  
1 1 1 -23 14 17 o 79.62508 1.364828  63.60749       2.172843  62.87392       3.029525  64.38460       3.118119  -0.9404602     2.729655  
1 1 1 -23 14 18 o 77.92761 0.9107657 60.49987       1.413927  64.39845       2.116087  57.35540       1.900440  4.505348       1.821531  
1 1 1 -23 14 19 o 89.11909 1.015960  79.46480       1.808512  77.35358       2.483551  81.84810       2.638741  -2.510567      2.031920  
1 1 1 -23 14 20 f 52.80783 0.7122384 27.82836       0.7510114 26.36025       1.027281  29.51380       1.100696  -2.982193      1.424477  
1 1 1 -23 14 21 o 83.14555 0.9601320 69.20759       1.595729  70.70781       2.303542  67.82349       2.212607  1.728378       1.920264  
1 1 1 -23 14 22 o 37.19619 0.6300384 13.71851       0.4660861 15.06538       0.7062561 12.67934       0.6203572 3.203514       1.260077  
1 1 1 -23 14 23 o 80.36024 0.9383463 64.62063       1.506761  66.44330       2.187690  62.97571       2.078282  2.149857       1.876693  
1 1 1 -23 14 24 o 59.14732 0.7635360 34.98503       0.9023105 35.97726       1.312051  34.09467       1.242876  1.587269       1.527072  
1 1 1 -23 14 25 o 59.62831 0.7685707 35.60067       0.9164417 35.80281       1.308620  35.40612       1.283825  0.3310661      1.537141  
1 1 1 -23 14 26 o 51.69913 0.8405928 26.88265       0.8355923 26.37140       1.381030  27.17790       1.049492  -0.8033257     1.681186  
1 1 1 -23 14 27 o 73.37721 1.126335  53.30806       1.606540  56.94173       2.636484  51.16200       2.026153  3.877998       2.252670  
1 1 1 -23 14 28 o 75.52296 1.234433  56.93520       1.857425  53.67373       2.497066  60.97504       2.779103  -4.801437      2.468866  
1 1 1 -23 14 29 o 47.66412 0.9202267 22.54518       0.8710613 24.65234       1.331303  20.96785       1.151829  3.848644       1.840453  
1 1 1 -23 14 30 o 33.02605 0.8383435 10.94296       0.5528432 10.65247       0.7984791 11.21045       0.7661963 -0.8475571     1.676687  
1 1 1 -23 14 31 f 7.248052 1.525236  0.4556260      0.2697235 0.9082326      0.3942798 0.5749813E-01  0.3697902 4.131875       3.050472  
1 1 1 -23 14 32 o 13.43424 1.182156  1.755975       0.2735999 3.279159       0.4415530 0.8066891      0.3485822 9.306870       2.364313  
1 1 1 -23 14 33 o 40.79786 0.6866457 16.63800       0.5593564 17.20546       0.8195968 16.14324       0.7652913 1.297523       1.373291  
1 1 1 -23 14 34 f 48.10287 0.7200424 23.18221       0.6922591 23.10847       0.9965597 23.25097       0.9623412 -0.1510773     1.440085  
1 1 1 -23 14 35 o 57.21974 0.7748460 32.75613       0.8856004 33.86044       1.292480  31.77884       1.215883  1.811440       1.549692  
1 1 1 -23 14 36 o 23.40748 0.7777416 5.437829       0.3612889 5.911352       0.5539277 5.087253       0.4766220 1.752352       1.555483  
1 1 1 -23 14 37 o 37.61000 0.7072535 14.10137       0.5299460 14.95192       0.7925746 13.41364       0.7126883 2.037361       1.414507  
1 1 1 -23 14 38 o 29.47784 0.7396371 8.778105       0.4324169 7.682278       0.6228067 9.798009       0.6008441 -3.590929      1.479274  
1 1 1 -23 14 39 o 48.79819 0.7426623 23.77426       0.7224446 24.96426       1.074976  22.79408       0.9756171 2.212868       1.485325  
1 1 1 -23 14 40 o 16.77818 1.010070  2.832512       0.3330195 2.797566       0.5202541 2.856770       0.4334589 -0.1893482     2.020141  
1 1 1 -23 14 41 o 43.75368 0.7335345 19.01365       0.6377381 20.71177       0.9714253 17.72744       0.8454384 3.395580       1.467069  
1 1 1 -23 14 42 o 21.74169 0.8916992 4.834299       0.3800690 4.147840       0.5703455 5.382629       0.5097431 -2.848907      1.783398  
1 1 1 -23 14 43 o 60.68800 0.8335488 36.87603       1.010595  34.85966       1.392857  39.11749       1.468540  -3.496838      1.667098  
1 1 1 -23 14 44 o 7.526840 1.849880  0.4310791      0.3324944 0.8104281      0.5766134 0.2421101      0.4069683 2.903528       3.699760  
1 1 1 -23 14 45 o 88.82396 1.335487  79.99480       2.336897  77.56477       3.601063  81.76266       3.071493  -2.496437      2.670974  
1 1 1 -23 14 46 o 9.418833 2.035589  0.9214736      0.4090640 0.7824370      0.7118498 0.9900230      0.4998339 -0.5340652     4.071178  
1 1 1 -23 14 47 o 36.08659 1.011540  13.15193       0.7249488 12.63367       1.078922  13.57850       0.9788353 -1.330414      2.023080  
1 1 1 -23 14 48 o 22.47675 1.266658  5.311026       0.5430299 4.252245       0.8546780 6.027783       0.7032113 -3.990990      2.533317  
1 1 1 -23 14 49 o 36.17735 1.033237  13.22453       0.7415562 12.77020       1.111052  13.58952       0.9958227 -1.159050      2.066474  
1 1 1 -23 14 50 o 13.28334 1.937737  1.887179       0.4936642 1.650508       0.7879573 2.040101       0.6333801 -1.761039      3.875474  
1 1 1 -23 14 51 o 36.24178 1.080718  13.15882       0.7728037 13.74923       1.206389  12.74793       1.006411  1.327244       2.161436  
1 1 1 -23 14 52 o 29.35751 2.481956  0.000000       0.000000  ?              ?         8.804233       1.457281  ?              ?         
1 1 1 -23 15 1  f 61.16523 1.176941  37.23359       1.433913  40.82871       2.148568  34.34638       1.925448  5.280109       2.353881  
1 1 1 -23 15 2  o 68.77287 1.246971  47.42716       1.714512  46.87157       2.386734  48.01956       2.464508  -0.8277740     2.493943  
1 1 1 -23 15 3  o 34.58476 1.061423  11.99890       0.7328970 12.85555       1.038889  11.15016       1.034074  2.465160       2.122847  
1 1 1 -23 15 4  o 72.21660 1.286334  52.22258       1.855880  54.51482       2.702588  50.17705       2.553015  2.989822       2.572669  
1 1 1 -23 15 5  o 65.59511 1.215207  43.14630       1.594096  43.88108       2.270236  42.43167       2.238877  1.102135       2.430415  
1 1 1 -23 15 6  o 56.67631 1.136230  32.17743       1.287405  33.31614       1.851551  31.11165       1.791274  1.939999       2.272459  
1 1 1 -23 15 7  o 61.43355 1.177680  37.82634       1.446616  38.92622       2.071127  36.77862       2.021426  1.743793       2.355360  
1 1 1 -23 15 8  o 52.76153 1.111018  27.88685       1.171929  28.94689       1.680880  26.88414       1.634796  1.951199       2.222036  
1 1 1 -23 15 9  o 54.64227 1.116410  29.93060       1.219989  30.39310       1.730497  29.47358       1.720199  0.8405991      2.232819  
1 1 1 -23 15 10 o 120.6582 1.900102  145.8539       4.567034  155.0185       6.837253  138.4707       6.136883  6.763962       3.800203  
1 1 1 -23 15 11 o 45.36058 1.073798  20.61826       0.9730853 20.52629       1.343510  20.71975       1.411292  -0.2081413     2.147596  
1 1 1 -23 15 12 o 112.3862 1.234617  126.6843       2.775017  127.3854       3.940563  125.9945       3.908564  0.6160660      2.469234  
1 1 1 -23 15 13 o 21.94427 0.5754259 4.743000       0.2477924 3.589425       0.3302778 6.228472       0.3747906 -6.011292      1.150852  
1 1 1 -23 15 14 o 92.00433 1.039345  84.80664       1.912081  83.77126       2.671198  85.89464       2.738230  -1.149063      2.078689  
1 1 1 -23 15 15 o 82.39828 0.9523819 67.90460       1.567449  70.12102       2.288168  65.94495       2.151549  2.524940       1.904764  
1 1 1 -23 15 16 o 76.87585 0.9020165 59.19060       1.386813  58.79446       1.950866  59.59529       1.971801  -0.5195313     1.804033  
1 1 1 -23 15 17 o 75.60593 0.8928244 57.01244       1.346066  54.29372       1.820507  60.29133       1.999278  -3.955139      1.785649  
1 1 1 -23 15 18 o 65.33463 0.8056381 42.62999       1.050960  40.88492       1.436371  44.64057       1.541784  -2.868095      1.611276  
1 1 1 -23 15 19 o 55.67882 0.7309884 30.74942       0.8092257 33.65723       1.228518  28.52079       1.075519  4.604324       1.461977  
1 1 1 -23 15 20 f 59.16951 0.7605755 34.99653       0.8991708 33.78973       1.238417  36.34202       1.307644  -2.152721      1.521151  
1 1 1 -23 15 21 o 23.64871 0.6427726 5.616124       0.3029906 5.281716       0.4379603 5.923103       0.4196150 -1.357014      1.285545  
1 1 1 -23 15 22 o 27.86656 0.6241374 7.766461       0.3467295 7.845967       0.5125141 7.699361       0.4708324 0.2609100      1.248275  
1 1 1 -23 15 23 o 19.60483 0.7831891 3.907773       0.2936822 3.640828       0.4842443 4.063083       0.3693639 -1.084366      1.566378  
1 1 1 -23 15 24 o 9.972356 1.318304  0.9267306      0.2510604 1.689792       0.4167553 0.4920701      0.3145404 6.012668       2.636608  
1 1 1 -23 15 25 f 57.19836 1.004861  32.80332       1.149446  32.51522       1.630376  33.08804       1.620790  -0.5016022     2.009723  
1 1 1 -23 15 26 o 91.16884 1.437766  83.53811       2.620323  84.89333       3.775860  82.27914       3.639306  1.414986       2.875531  
1 1 1 -23 15 27 o 51.47427 0.8417413 26.19652       0.8314058 25.34395       1.030792  27.78373       1.406449  -2.338207      1.683483  
1 1 1 -23 15 28 o 70.54560 0.8646357 49.75246       1.217697  51.84997       1.788812  47.94115       1.662306  2.759033       1.729271  
1 1 1 -23 15 29 o 33.53210 0.6620917 11.24149       0.4431483 11.51981       0.6506271 11.00065       0.6052438 0.7709579      1.324183  
1 1 1 -23 15 30 o 50.56212 0.7201313 25.57752       0.7274662 26.20008       1.057859  25.01897       1.001998  1.163605       1.440263  
1 1 1 -23 15 31 o 68.09290 0.8481988 46.21164       1.150658  49.38554       1.721984  43.65115       1.546654  4.193748       1.696398  
1 1 1 -23 15 32 o 15.41024 0.9273391 2.390836       0.2819223 2.323390       0.4327587 2.440564       0.3715919 -0.3869019     1.854678  
1 1 1 -23 15 33 o 37.90118 0.6851070 14.13844       0.5139884 16.17447       0.8000796 12.70768       0.6706955 4.562389       1.370214  
1 1 1 -23 15 34 o 50.37771 0.7297989 25.42935       0.7349952 25.42145       1.054937  25.43681       1.024607  -0.1813889E-01 1.459598  
1 1 1 -23 15 35 o 29.66694 0.7040031 8.776464       0.4154652 9.200887       0.6264395 8.443184       0.5551176 1.270233       1.408006  
1 1 1 -23 15 36 o 36.30554 0.6972032 13.16088       0.5044464 13.71396       0.7514645 12.70722       0.6805810 1.379715       1.394406  
1 1 1 -23 15 37 o 43.28028 0.7181972 18.76699       0.6210827 18.85979       0.8992025 18.68233       0.8588719 0.2008667      1.436394  
1 1 1 -23 15 38 o 31.50844 0.7211328 9.789374       0.4498820 11.08614       0.6993379 8.873866       0.5876074 3.498802       1.442266  
1 1 1 -23 15 39 o 48.14625 0.7480881 23.24555       0.7199501 22.90885       1.031009  23.56597       1.005786  -0.6852798     1.496176  
1 1 1 -23 15 40 o 31.10377 0.7464347 9.436442       0.4572028 11.27867       0.7286016 8.239870       0.5872034 4.867451       1.492869  
1 1 1 -23 15 41 o 19.07751 0.9432170 3.674845       0.3531478 3.551407       0.5505896 3.761119       0.4603030 -0.5644531     1.886434  
1 1 1 -23 15 42 o 34.03636 0.7424307 11.53837       0.5019372 12.25948       0.7641695 10.99118       0.6656728 1.850250       1.484861  
1 1 1 -23 15 43 o 26.57949 0.9620843 7.347931       0.4760569 6.375408       0.8116050 7.858037       0.5877941 -2.826658      1.924169  
1 1 1 -23 15 44 o 31.82757 0.9323639 9.979634       0.5650937 10.81885       0.9765823 9.557195       0.6928732 1.931410       1.864728  
1 1 1 -23 15 45 o 28.20904 1.022138  7.882065       0.5669804 8.655045       0.9033937 7.379719       0.7282737 2.224749       2.044276  
1 1 1 -23 15 46 o 42.88490 1.003853  18.53549       0.8583403 18.05164       1.254741  18.96107       1.176761  -1.077099      2.007707  
1 1 1 -23 15 47 o 24.28672 1.156909  5.985056       0.5477505 5.775290       0.8701587 6.122730       0.7049431 -0.7572651     2.313819  
1 1 1 -23 15 48 f 71.31934 1.264096  51.35460       1.802518  49.67657       2.517660  53.11928       2.581843  -2.395264      2.528192  
1 1 1 -23 15 49 o 29.32065 1.121843  8.882075       0.6416186 7.241868       0.9564732 10.22404       0.8651549 -5.109556      2.243686  
1 1 1 -23 15 50 o 7.885499 1.974005  0.5438836      0.4210078 -0.1242462     0.7414204 0.8618385      0.5114661 -2.390056      3.948010  
1 1 1 -23 15 51 o 19.74191 3.000058  0.000000       0.000000  ?              ?         4.020037       1.184537  ?              ?         
1 1 1 -23 16 1  f 52.77996 1.111560  27.92225       1.173026  28.72567       1.682177  27.16179       1.636580  1.477287       2.223120  
1 1 1 -23 16 2  o 75.40305 1.326120  56.99903       1.998105  59.21658       2.901222  54.99812       2.755873  2.781479       2.652241  
1 1 1 -23 16 3  o 28.88940 1.126536  8.361864       0.6483076 9.420786       0.9349700 7.381249       0.8997355 3.526720       2.253072  
1 1 1 -23 16 4  o 87.65555 1.469989  77.20589       2.577029  77.61110       3.645300  76.80105       3.643639  0.4618759      2.939977  
1 1 1 -23 16 5  o 11.37259 1.994986  1.350627       0.4672539 1.879880       0.6662184 0.8382574      0.6555055 4.141963       3.989972  
1 1 1 -23 16 6  o 47.97795 1.085194  23.06965       1.041016  23.85318       1.485686  22.31390       1.459113  1.601952       2.170388  
1 1 1 -23 16 7  o 37.28278 1.063714  13.69366       0.7862796 11.96901       1.035033  16.04710       1.209078  -5.455235      2.127428  
1 1 1 -23 16 8  f 54.20791 1.119584  29.46124       1.213603  29.39836       1.699954  29.52658       1.733113  -0.1155128     2.239168  
1 1 1 -23 16 9  o 89.48217 1.493631  80.44454       2.673050  80.81032       3.782201  80.07951       3.778330  0.4079285      2.987261  
1 1 1 -23 16 10 o 52.90276 1.107210  28.05972       1.171377  28.13000       1.646348  27.98768       1.667000  0.1362000      2.214421  
1 1 1 -23 16 11 o 87.80344 1.472058  77.18259       2.579342  81.31889       3.805162  73.66637       3.508367  4.325333       2.944117  
1 1 1 -23 16 12 o 73.10976 1.298943  53.54153       1.896385  51.95336       2.596910  55.35605       2.775806  -2.309738      2.597885  
1 1 1 -23 16 13 o 30.36926 0.5616950 9.193986       0.3404738 9.808043       0.5012174 8.667860       0.4639452 1.875614       1.123390  
1 1 1 -23 16 14 o 17.15034 0.6084945 2.908133       0.2073469 3.402431       0.3122334 2.518179       0.2773261 2.576313       1.216989  
1 1 1 -23 16 15 o 50.77443 0.6890751 25.73228       0.6984182 27.00081       1.027122  24.64132       0.9525172 2.319469       1.378150  
1 1 1 -23 16 16 o 18.53294 0.6607904 3.499771       0.2369866 2.463906       0.3321558 4.573843       0.3382260 -5.692086      1.321581  
1 1 1 -23 16 17 o 56.76306 0.7379296 32.26061       0.8377349 32.31517       1.187717  32.20659       1.181777  0.9528351E-01  1.475859  
1 1 1 -23 16 18 o 16.11020 0.7222921 2.514794       0.2253820 3.602932       0.3518685 1.757763       0.2934913 5.723290       1.444584  
1 1 1 -23 16 19 o 29.81386 0.6763181 8.870777       0.3947236 9.031487       0.6286872 8.766203       0.5071408 0.4380131      1.352636  
1 1 1 -23 16 20 o 98.12218 1.408430  96.69656       2.719401  97.00393       4.246295  96.48286       3.540761  0.1805878      2.816859  
1 1 1 -23 16 21 o 21.04597 0.7850155 4.426864       0.3283412 4.516593       0.4950897 4.356412       0.4386971 0.3766499      1.570031  
1 1 1 -23 16 22 o 62.72233 1.060442  38.94863       1.317390  43.01731       2.041976  36.04772       1.724215  5.525112       2.120885  
1 1 1 -23 16 23 o 6.123483 1.471248  0.3499582      0.2158376 0.2704348      0.3343337 0.4067842      0.2826222 -0.5282431     2.942497  
1 1 1 -23 16 24 o 53.13290 0.7714669 28.32969       0.8183079 29.59449       1.141468  26.99238       1.173730  2.451168       1.542934  
1 1 1 -23 16 25 o 45.03783 0.6837561 20.25720       0.6150616 19.04455       0.8455560 21.61983       0.8963190 -2.855434      1.367512  
1 1 1 -23 16 26 o 22.78764 0.7002684 5.125254       0.3164627 5.791900       0.4877628 4.640629       0.4158755 2.520805       1.400537  
1 1 1 -23 16 27 o 67.84729 0.8446954 45.85096       1.141775  43.08377       1.534458  49.28365       1.709042  -4.553284      1.689391  
1 1 1 -23 16 28 o 32.16557 0.6673388 10.35721       0.4280773 10.40507       0.6303604 10.31625       0.5831746 0.1345978      1.334678  
1 1 1 -23 16 29 o 82.58069 0.9722538 68.37113       1.605272  67.11083       2.235805  69.71209       2.306226  -1.567116      1.944508  
1 1 1 -23 16 30 f 76.25414 0.9198212 58.21340       1.400876  60.13459       2.046714  56.52011       1.921486  2.356239       1.839642  
1 1 1 -23 16 31 o 68.00092 0.8522682 46.34133       1.158637  46.97744       1.666545  45.74622       1.611938  0.8994827      1.704536  
1 1 1 -23 16 32 o 42.93649 0.7027397 17.92060       0.5928064 21.49371       0.9540950 15.67385       0.7565646 6.759171       1.405479  
1 1 1 -23 16 33 o 36.40885 0.6882458 13.26823       0.4995475 13.42254       0.7386237 13.13814       0.6781744 0.3849678      1.376492  
1 1 1 -23 16 34 o 42.62980 0.7082715 18.21719       0.6035233 17.86800       0.8629276 18.55154       0.8443958 -0.8035011     1.416543  
1 1 1 -23 16 35 o 39.27715 0.7059253 15.31452       0.5508839 16.67720       0.8396102 14.28447       0.7299787 3.035023       1.411851  
1 1 1 -23 16 36 o 80.95058 0.9693010 65.69039       1.567428  67.60927       2.284672  63.98408       2.154415  2.220711       1.938602  
1 1 1 -23 16 37 o 35.86679 0.7094195 12.65815       0.5027607 14.39108       0.7891806 11.47441       0.6522509 4.051567       1.418839  
1 1 1 -23 16 38 o 39.35043 0.7209739 15.55203       0.5662556 14.68626       0.8104032 16.37795       0.7915424 -2.151672      1.441948  
1 1 1 -23 16 39 o 25.04704 1.166507  6.002964       0.5427303 7.157843       1.004123  5.526331       0.6450763 3.185228       2.333014  
1 1 1 -23 16 40 o 9.800436 1.611178  0.9411818      0.3076392 1.404026       0.5039686 0.6662742      0.3884003 3.569260       3.222356  
1 1 1 -23 16 41 o 52.53300 0.7850176 27.68824       0.8234186 27.57808       1.198235  27.78680       1.133444  -0.2076569     1.570035  
1 1 1 -23 16 42 o 37.41046 0.8943953 13.87889       0.6389728 14.63652       1.091059  13.48338       0.7883025 1.491703       1.788791  
1 1 1 -23 16 43 o 54.61593 1.066916  29.94921       1.161048  30.77504       1.727835  29.26933       1.567753  1.344971       2.133833  
1 1 1 -23 16 44 o 35.44631 0.9962364 12.74806       0.6995775 11.50751       1.028924  13.81456       0.9540204 -3.269161      1.992473  
1 1 1 -23 16 45 o 34.70527 0.9996121 11.94765       0.6814490 13.00667       1.088220  11.26449       0.8740354 2.462814       1.999224  
1 1 1 -23 16 46 o 17.28511 1.416392  2.960442       0.4702772 3.254929       0.7989898 2.804341       0.5817153 1.235756       2.832784  
1 1 1 -23 16 47 o 41.79755 1.025536  17.37387       0.8458717 18.86750       1.328690  16.35598       1.096858  2.950169       2.051073  
1 1 1 -23 16 48 o 19.24620 1.371863  3.825965       0.5009423 3.505423       0.8351713 4.006090       0.6260651 -1.369047      2.743726  
1 1 1 -23 16 49 o 48.97215 1.073642  24.23280       1.047829  23.42029       1.532562  24.94602       1.435867  -1.583557      2.147284  
1 1 1 -23 16 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 17 1  o 11.95780 2.075969  1.513920       0.4966842 1.773990       0.6895223 1.233442       0.7160644 2.107456       4.151937  
1 1 1 -23 17 2  f 37.09355 1.083356  13.77422       0.8026372 14.81089       1.161572  12.82694       1.110360  2.669167       2.166713  
1 1 1 -23 17 3  o 25.67997 1.196004  6.613584       0.6139166 6.308566       0.8565192 6.935839       0.8803910 -1.218773      2.392007  
1 1 1 -23 17 4  o 39.57700 1.083076  15.67495       0.8562719 15.01066       1.176381  16.42349       1.248760  -1.778015      2.166152  
1 1 1 -23 17 5  f 42.39323 1.080263  18.01336       0.9156590 18.55203       1.312334  17.50233       1.278215  1.234852       2.160526  
1 1 1 -23 17 6  f 33.47441 1.091427  11.20218       0.7294857 10.59962       0.9975801 11.89470       1.069464  -1.927681      2.182854  
1 1 1 -23 17 7  o 59.83500 1.174036  35.90905       1.404725  36.66341       2.008704  35.18705       1.965173  1.229332       2.348071  
1 1 1 -23 17 8  o 65.98991 1.233102  43.45774       1.620938  41.08590       2.177222  46.40726       2.427920  -4.005661      2.466204  
1 1 1 -23 17 9  o 29.46038 1.120957  8.683377       0.6594872 8.070862       0.9091247 9.363685       0.9581141 -2.189516      2.241914  
1 1 1 -23 17 10 o 43.76324 1.076991  18.88468       0.9343123 16.77154       1.226668  21.80447       1.441909  -5.730518      2.153982  
1 1 1 -23 17 11 o 43.61003 1.076297  18.98711       0.9361070 17.99804       1.267095  20.17564       1.388997  -2.485535      2.152594  
1 1 1 -23 17 12 o 40.58426 1.074365  16.47718       0.8704062 15.91102       1.187851  17.13364       1.279086  -1.497917      2.148729  
1 1 1 -23 17 13 o 14.96442 1.514475  2.774808       0.3087041 3.050582       0.3439763 1.633231       0.6998494 4.982451       3.028951  
1 1 1 -23 17 14 o 76.26227 1.341191  58.41624       2.045612  58.68035       2.889420  58.15084       2.896458  0.3479843      2.682382  
1 1 1 -23 17 15 f 35.72186 1.093333  12.75614       0.7793627 14.01857       1.135960  11.63344       1.071254  3.332275       2.186666  
1 1 1 -23 17 16 o 74.12057 1.887318  0.000000       0.000000  ?              ?         55.18482       2.797781  ?              ?         
1 1 1 -23 17 17 o 47.73257 1.210235  0.000000       0.000000  ?              ?         22.82685       1.155352  ?              ?         
1 1 1 -23 17 18 o 44.21236 1.040953  19.38024       0.8455612 20.16670       1.551904  19.04819       1.008384  1.213078       2.081906  
1 1 1 -23 17 19 o 61.56776 1.039018  37.50205       1.266340  41.54866       1.968137  34.64330       1.654237  5.576542       2.078036  
1 1 1 -23 17 20 o 63.41263 0.9319300 40.58591       1.148934  41.53882       1.471643  39.09848       1.838625  1.957832       1.863860  
1 1 1 -23 17 21 f 43.20377 0.6644061 18.64901       0.5733344 19.46453       0.8376625 17.93025       0.7863979 1.772148       1.328812  
1 1 1 -23 17 22 f 73.97285 0.8914027 54.28986       1.309364  59.42415       2.002527  50.45552       1.730545  6.036858       1.782805  
1 1 1 -23 17 23 o 52.60173 0.7290993 27.65413       0.7661437 28.96468       1.116834  26.48919       1.052966  2.348160       1.458199  
1 1 1 -23 17 24 f 39.30029 0.6648940 15.46964       0.5222313 14.73372       0.7361131 16.21537       0.7410044 -1.884693      1.329788  
1 1 1 -23 17 25 o 14.32493 0.9010133 1.982220       0.2529429 2.637506       0.4008958 1.548828       0.3260294 3.792584       1.802027  
1 1 1 -23 17 26 f 37.24815 0.6701817 13.70265       0.4953929 11.68720       0.6606364 16.29193       0.7487997 -6.174454      1.340363  
1 1 1 -23 17 27 o 53.22603 0.7425457 28.30133       0.7887766 29.57308       1.162255  27.21546       1.073966  2.207020       1.485091  
1 1 1 -23 17 28 o 22.75922 0.7329938 5.260334       0.3290811 4.548140       0.4839937 5.872668       0.4487807 -2.912977      1.465988  
1 1 1 -23 17 29 f 20.25481 0.7612463 3.946702       0.3020141 5.218815       0.4839534 3.135275       0.3865141 5.133957       1.522493  
1 1 1 -23 17 30 o 59.91138 0.7950457 35.97845       0.9526349 35.84951       1.348719  36.10682       1.345744  -0.2150536     1.590091  
1 1 1 -23 17 31 o 21.31837 0.7702345 4.574085       0.3241697 4.430351       0.4958602 4.681368       0.4283943 -0.5957108     1.540469  
1 1 1 -23 17 32 o 42.55480 0.7016395 18.13470       0.5963913 18.31183       0.8676053 17.97602       0.8211594 0.3901138      1.403279  
1 1 1 -23 17 33 o 16.67052 0.9079835 2.731650       0.2975750 3.089061       0.4762971 2.502820       0.3811103 1.746140       1.815967  
1 1 1 -23 17 34 o 73.50937 0.9056289 54.21157       1.331135  54.54412       1.905621  53.89470       1.860218  0.4357452      1.811258  
1 1 1 -23 17 35 o 67.57539 0.8625142 45.78837       1.165008  46.28897       1.680436  45.32510       1.616559  0.7050781      1.725028  
1 1 1 -23 17 36 o 45.33892 0.7318259 20.55588       0.6619622 21.26329       0.9772801 19.95617       0.8998213 1.432701       1.463652  
1 1 1 -23 17 37 o 75.77383 0.9280261 57.65357       1.406336  57.39188       1.995722  57.91170       1.982066  -0.3451385     1.856052  
1 1 1 -23 17 38 o 17.54502 1.001882  3.216353       0.3368358 2.543272       0.5219470 3.696736       0.4409472 -3.300950      2.003763  
1 1 1 -23 17 39 o 23.43755 0.9153454 5.506360       0.4285437 5.707639       0.6251757 5.327954       0.5885829 0.8040791      1.830691  
1 1 1 -23 17 40 o 35.59242 0.8712096 11.77467       0.5612925 14.96687       1.100747  10.65298       0.6524974 5.989971       1.742419  
1 1 1 -23 17 41 o 22.89170 1.022105  5.218355       0.4321562 5.403722       0.7845460 5.137610       0.5177919 0.5302982      2.044211  
1 1 1 -23 17 42 o 24.46506 1.044022  5.810468       0.4955083 6.885583       0.8309387 5.217182       0.6172679 3.365290       2.088043  
1 1 1 -23 17 43 o 28.93138 1.004246  8.422927       0.5702800 8.401446       0.8963031 8.437538       0.7392060 -0.9475899E-01 2.008492  
1 1 1 -23 17 44 o 8.988155 2.027455  0.8219169      0.4025563 0.6971479      0.6920127 0.8857334      0.4949115 -0.3945856     4.054910  
1 1 1 -23 17 45 o 49.09851 1.045705  24.30889       1.025179  23.00611       1.461760  25.56996       1.438171  -2.616367      2.091410  
1 1 1 -23 17 46 o 26.21015 1.095366  6.860658       0.5613638 7.217965       0.9033685 6.635888       0.7164966 1.063162       2.190732  
1 1 1 -23 17 47 o 36.98014 1.041839  13.92011       0.7625442 12.14503       1.108406  15.51519       1.050707  -4.571522      2.083679  
1 1 1 -23 17 48 o 30.64427 1.070770  9.571058       0.6448447 8.821581       0.9860399 10.13113       0.8523865 -2.171549      2.141540  
1 1 1 -23 17 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 18 1  o 20.55002 1.399119  4.230335       0.5738533 3.960891       0.7822629 4.544281       0.8443964 -1.410313      2.798238  
1 1 1 -23 18 2  o 30.34850 1.153875  9.170713       0.6974314 8.376031       0.9365391 10.16008       1.044981  -2.926210      2.307751  
1 1 1 -23 18 3  o 37.12285 1.106409  13.83272       0.8213075 14.11346       1.159959  13.55048       1.163055  0.7586136      2.212819  
1 1 1 -23 18 4  o 23.55449 1.313462  5.598650       0.6144528 6.378186       0.8712275 4.827151       0.8667250 3.291834       2.626924  
1 1 1 -23 18 5  o 51.66129 1.136014  26.75710       1.172907  26.00868       1.621394  27.57867       1.698793  -1.510567      2.272027  
1 1 1 -23 18 6  o 68.23351 1.269016  46.71582       1.730743  48.50505       2.500005  45.06903       2.398433  2.504875       2.538033  
1 1 1 -23 18 7  o 74.37510 1.331928  55.53395       1.979562  54.24464       2.732575  56.95785       2.871646  -1.805557      2.663856  
1 1 1 -23 18 8  o 53.88242 1.147576  29.11058       1.236030  30.36097       1.779202  27.94419       1.718404  2.235744       2.295153  
1 1 1 -23 18 9  o 61.71983 1.205120  37.88216       1.477886  35.22753       1.958550  41.39238       2.252168  -4.959347      2.410240  
1 1 1 -23 18 10 o 10.41246 2.187640  1.104683       0.4901154 0.9449630      0.6748807 1.282926       0.7129399 -1.358751      4.375279  
1 1 1 -23 18 11 f 44.66692 1.088570  19.93440       0.9701927 18.81885       1.318200  21.25292       1.433110  -2.712330      2.177141  
1 1 1 -23 18 12 o 13.85287 1.879970  1.979816       0.5091931 1.717720       0.7177197 2.245429       0.7225201 -2.141225      3.759940  
1 1 1 -23 18 13 o 63.98527 1.771364  0.000000       0.000000  ?              ?         41.12311       2.266824  ?              ?         
1 1 1 -23 18 14 o 13.88022 0.6521255 1.924670       0.1800683 1.969161       0.2702781 1.889160       0.2414615 0.2862806      1.304251  
1 1 1 -23 18 15 o 84.90036 1.329827  72.42849       2.257605  71.42067       3.154561  73.48660       3.232332  -1.206085      2.659653  
1 1 1 -23 18 16 o 33.81134 0.7199781 11.33788       0.4843916 10.02585       0.6508133 12.96738       0.7252887 -4.344372      1.439956  
1 1 1 -23 18 17 o 14.61814 0.7439646 2.132437       0.2170414 2.333019       0.3172918 1.956044       0.2975447 1.287875       1.487929  
1 1 1 -23 18 18 o 12.85828 0.8333814 1.718909       0.2064236 1.311412       0.3103702 2.042142       0.2764240 -2.844345      1.666763  
1 1 1 -23 18 19 f 55.29867 0.8176256 30.30872       0.8824826 29.19163       1.121522  32.12478       1.429980  -2.625587      1.635251  
1 1 1 -23 18 20 o 23.30978 1.006160  5.305728       0.3898788 5.194875       0.4398911 5.711771       0.8418941 -1.067062      2.012319  
1 1 1 -23 18 21 o 112.8695 1.645011  129.2023       3.659950  133.2572       4.830462  123.7368       5.608047  4.355812       3.290022  
1 1 1 -23 18 22 o 44.43065 1.119007  19.79308       0.9936072 20.48108       1.439965  19.16778       1.372787  1.469521       2.238013  
1 1 1 -23 18 23 o 66.35629 1.263340  43.95913       1.669990  47.68573       2.501390  40.96239       2.243109  5.028584       2.526680  
1 1 1 -23 18 24 f 47.28500 1.129897  22.44844       1.068397  22.80064       1.526397  22.11014       1.495947  0.7260818      2.259794  
1 1 1 -23 18 25 f 44.05920 1.128489  19.45640       0.9933642 20.52029       1.443870  18.50028       1.368793  2.282070       2.256977  
1 1 1 -23 18 26 o 16.80189 1.764269  2.919216       0.5574009 2.001270       0.7658249 3.953336       0.8128422 -6.014252      3.528538  
1 1 1 -23 18 27 o 31.77255 1.025678  9.966280       0.6027807 10.57376       1.097860  9.704123       0.7212116 1.318987       2.051356  
1 1 1 -23 18 28 f 34.28538 0.9314377 10.73850       0.5276167 13.72337       1.192820  10.01245       0.5882973 5.337585       1.862875  
1 1 1 -23 18 29 o 32.54889 0.9559090 10.71829       0.5322318 10.46316       1.076953  10.80074       0.6122199 -0.5764465     1.911818  
1 1 1 -23 18 30 o 27.61682 0.8083978 7.354664       0.4177603 8.466332       0.7573683 6.868519       0.5008442 2.864437       1.616796  
1 1 1 -23 18 31 o 44.72438 0.8002685 20.27941       0.7025091 18.75431       1.080288  21.39695       0.9247446 -2.971893      1.600537  
1 1 1 -23 18 32 o 47.67402 0.8068177 22.08282       0.7353020 25.15553       1.272105  20.54111       0.9010803 4.795914       1.613635  
1 1 1 -23 18 33 o 30.28214 0.7979274 9.022409       0.4562919 9.711542       0.8013992 8.691842       0.5550443 1.654905       1.595855  
1 1 1 -23 18 34 o 36.88127 0.7872720 13.38693       0.5538889 14.46772       0.9531114 12.83579       0.6806160 2.179314       1.574544  
1 1 1 -23 18 35 o 23.42664 0.8217841 5.584317       0.3756891 5.109657       0.5858170 5.915908       0.4896352 -1.733824      1.643568  
1 1 1 -23 18 36 o 54.18354 0.8587180 29.22505       0.9027042 30.44323       1.480981  28.50491       1.138683  1.737461       1.717436  
1 1 1 -23 18 37 o 50.64230 0.8495812 26.00435       0.8462518 24.09816       1.293175  27.43204       1.119159  -3.317432      1.699162  
1 1 1 -23 18 38 f 34.81298 1.144180  12.13767       0.6199877 12.29807       1.439797  12.10115       0.6869370 0.1380081      2.288360  
1 1 1 -23 18 39 o 38.34829 1.186139  15.55652       0.7492531 13.49813       1.548246  16.18601       0.8561885 -3.647213      2.372277  
1 1 1 -23 18 40 o 22.54211 1.546955  5.649471       0.5613002 4.292998       1.149374  6.074288       0.6432161 -4.091017      3.093909  
1 1 1 -23 18 41 o 23.17479 1.374856  0.000000       0.000000  ?              ?         5.399528       0.6372399 ?              ?         
1 1 1 -23 18 42 f 31.07745 1.981070  0.000000       0.000000  ?              ?         9.775016       1.231332  ?              ?         
1 1 1 -23 18 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 18 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 18 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 18 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 18 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 18 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 19 1  o 17.30804 1.815127  3.079353       0.5895553 2.063485       0.8012161 4.278825       0.8706149 -6.604864      3.630253  
1 1 1 -23 19 2  f 26.89973 1.244055  7.255904       0.6684185 6.968107       0.9170073 7.582159       0.9763544 -1.132999      2.488110  
1 1 1 -23 19 3  o 73.14503 1.330898  53.73616       1.945161  52.37687       2.681938  55.24477       2.825414  -1.939095      2.661797  
1 1 1 -23 19 4  o 44.06056 1.123004  19.48928       0.9894856 19.89717       1.403476  19.08615       1.395248  0.9193306      2.246008  
1 1 1 -23 19 5  o 13.77768 2.007909  1.990264       0.5357507 2.329402       0.7704700 1.672768       0.7454798 2.360781       4.015818  
1 1 1 -23 19 6  o 32.54957 1.154684  10.62971       0.7508570 11.35176       1.077085  9.947059       1.047286  2.154081       2.309369  
1 1 1 -23 19 7  o 35.36354 1.136394  12.53120       0.8019291 13.76944       1.159555  11.39603       1.110249  3.349743       2.272788  
1 1 1 -23 19 8  o 35.91825 1.127030  12.88832       0.8075322 12.07078       1.095345  13.86176       1.195227  -2.481094      2.254060  
1 1 1 -23 19 9  o 27.51420 1.232339  7.607460       0.6775360 7.667480       0.9407280 7.542770       0.9766420 0.2313499      2.464678  
1 1 1 -23 19 10 o 57.21373 1.697473  0.000000       0.000000  ?              ?         32.87640       1.942375  ?              ?         
1 1 1 -23 19 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 19 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 19 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 19 14 o 63.11836 0.9192312 39.75857       1.116460  39.27714       1.395683  40.61408       1.860510  -1.013065      1.838462  
1 1 1 -23 19 15 o 61.34373 0.7842960 37.68959       0.9619899 37.16589       1.342323  38.24258       1.379351  -0.8743973     1.568592  
1 1 1 -23 19 16 f 51.60879 0.7111913 26.65900       0.7336668 27.19052       1.058960  26.16837       1.017410  0.9870071      1.422383  
1 1 1 -23 19 17 o 21.36765 0.6226052 4.569867       0.2655635 4.595924       0.3882577 4.546960       0.3640381 0.1128750      1.245210  
1 1 1 -23 19 18 o 13.52642 0.7705725 1.826422       0.2053688 1.871753       0.3209320 1.794987       0.2672518 0.2790346      1.541145  
1 1 1 -23 19 19 o 14.94846 0.7693368 2.299464       0.2238587 1.823930       0.3319373 2.696175       0.3031812 -2.920028      1.538674  
1 1 1 -23 19 20 o 63.32808 0.8051913 40.19062       1.019787  40.34184       1.449489  40.04240       1.435012  0.2350349      1.610383  
1 1 1 -23 19 21 o 47.61795 0.7023316 22.68233       0.6684088 21.67817       0.9264802 23.77229       0.9652573 -2.195564      1.404663  
1 1 1 -23 19 22 o 95.49953 1.089929  91.54901       2.081108  92.90312       2.988182  90.27359       2.900058  1.364754       2.179858  
1 1 1 -23 19 23 f 65.99771 0.8316577 43.60921       1.096688  44.90419       1.593986  42.44521       1.511223  1.854118       1.663315  
1 1 1 -23 19 24 o 78.07687 0.9349145 61.11281       1.459125  62.48140       2.105668  59.84858       2.023796  1.675995       1.869829  
1 1 1 -23 19 25 o 55.89452 0.7616973 31.30799       0.8513198 31.44148       1.217464  31.18028       1.190872  0.2309380      1.523395  
1 1 1 -23 19 26 o 88.05186 1.024303  77.79485       1.802892  79.27525       2.600579  76.42493       2.501648  1.604797       2.048606  
1 1 1 -23 19 27 o 28.31411 0.6843101 7.917005       0.3836818 8.835173       0.5957134 7.266118       0.5015674 2.761967       1.368620  
1 1 1 -23 19 28 o 69.30765 0.8669313 48.17859       1.201659  48.23460       1.706839  48.12354       1.692062  0.7831573E-01  1.733863  
1 1 1 -23 19 29 f 26.18437 0.7199619 6.802927       0.3735598 7.353580       0.5765418 6.404480       0.4904300 1.803347       1.439924  
1 1 1 -23 19 30 o 6.051274 1.590982  0.2755419      0.2493518 0.3348012      0.4129793 0.2415442      0.3128061 0.8930340      3.181964  
1 1 1 -23 19 31 o 57.07994 0.7869669 32.62925       0.8975888 33.50193       1.303175  31.84157       1.238090  1.446762       1.573934  
1 1 1 -23 19 32 o 36.98817 0.7090767 13.69837       0.5221791 13.85303       0.7782748 13.57175       0.7042125 0.3719292      1.418153  
1 1 1 -23 19 33 o 58.69374 0.8037378 34.49014       0.9425749 32.95996       1.299409  36.18945       1.369344  -2.741650      1.607476  
1 1 1 -23 19 34 o 24.71688 0.7998904 6.235097       0.3884800 5.151431       0.5676384 7.189837       0.5328023 -4.128319      1.599781  
1 1 1 -23 19 35 o 51.82153 0.7639860 26.91736       0.7913451 25.63392       1.105954  28.26384       1.132790  -2.533863      1.527972  
1 1 1 -23 19 36 o 24.63426 0.9254724 6.449527       0.4236589 4.997976       0.6976371 7.297591       0.5332461 -4.693346      1.850945  
1 1 1 -23 19 37 o 19.11046 1.166920  4.029177       0.3982528 2.787184       0.6763676 4.688286       0.4927222 -5.010675      2.333841  
1 1 1 -23 19 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 19 39 o 24.84354 1.021833  6.261037       0.4958864 5.949919       0.7800542 6.472038       0.6423982 -1.078648      2.043667  
1 1 1 -23 19 40 f 39.14822 0.9468165 15.31344       0.7337726 16.05112       1.131828  14.77859       0.9637420 1.591599       1.893633  
1 1 1 -23 19 41 o 28.16070 1.008796  8.058267       0.5595170 7.480350       0.8513563 8.497666       0.7423501 -1.830629      2.017592  
1 1 1 -23 19 42 f 25.91265 1.041059  6.759188       0.5267639 6.764941       0.8412887 6.755477       0.6755884 -0.1969910E-01 2.082118  
1 1 1 -23 19 43 o 42.79167 0.9987531 18.49515       0.8510473 17.57689       1.243577  19.30404       1.167178  -2.035667      1.997506  
1 1 1 -23 19 44 o 36.50170 1.003385  13.29587       0.7204459 14.07204       1.139459  12.77894       0.9299102 1.719467       2.006769  
1 1 1 -23 19 45 f 7.503652 2.032234  0.3942924      0.4123620 0.4822257      0.6943837 0.3463875      0.5125226 1.142676       4.064468  
1 1 1 -23 19 46 o 20.67056 1.611804  0.000000       0.000000  ?              ?         4.311613       0.6663377 ?              ?         
1 1 1 -23 20 1  o 51.08788 1.159523  26.13708       1.181590  25.05747       1.601932  27.42533       1.749896  -2.295269      2.319046  
1 1 1 -23 20 2  o 26.23556 1.280163  6.909384       0.6693557 6.762196       0.9051934 7.086972       0.9942912 -0.6044674     2.560326  
1 1 1 -23 20 3  o 23.41868 1.380449  5.502260       0.6453804 5.199344       0.8809865 5.853100       0.9481176 -1.384193      2.760898  
1 1 1 -23 20 4  o 44.58522 1.144861  19.86779       1.017992  18.62678       1.377910  21.35919       1.510530  -3.045471      2.289723  
1 1 1 -23 20 5  o 46.43600 1.142284  21.58389       1.058835  23.44658       1.547646  19.94481       1.451785  3.757137       2.284569  
1 1 1 -23 20 6  f 41.81887 1.140646  17.49846       0.9521403 16.41041       1.299069  18.76144       1.399604  -2.797066      2.281291  
1 1 1 -23 20 7  o 35.64396 1.684162  0.000000       0.000000  ?              ?         12.76634       1.200604  ?              ?         
1 1 1 -23 20 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 20 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 20 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 20 11 o 58.02816 1.700510  33.83775       1.973550  33.83775       1.973550  ?              ?         ?              ?         
1 1 1 -23 20 12 o 35.19698 1.179942  12.45592       0.8298908 12.72173       1.157897  12.17514       1.190049  0.7810364      2.359883  
1 1 1 -23 20 13 o 85.66115 1.485454  73.56664       2.535177  69.99860       3.410066  77.97546       3.790615  -4.587624      2.970908  
1 1 1 -23 20 14 o 42.90810 0.6425217 18.43139       0.5512342 18.20235       0.7688009 18.67370       0.7907897 -0.5475388     1.285043  
1 1 1 -23 20 15 o 49.05021 0.6881689 24.09868       0.6750916 24.03775       0.9525256 24.16018       0.9569373 -0.1244278     1.376338  
1 1 1 -23 20 16 o 33.19736 0.6102123 10.90817       0.4026355 9.490037       0.5391319 12.69661       0.6054450 -4.824522      1.220425  
1 1 1 -23 20 17 o 34.40976 0.6174083 11.79975       0.4237241 12.62667       0.6284525 11.11052       0.5737495 2.198811       1.234817  
1 1 1 -23 20 18 o 36.63649 0.6389539 13.18659       0.4637068 11.36774       0.6092771 15.69049       0.7148673 -5.890846      1.277908  
1 1 1 -23 20 19 o 7.921273 1.154006  0.7337067      0.1854766 0.2154276      0.2869971 1.105422       0.2430530 -5.159299      2.308013  
1 1 1 -23 20 20 o 9.444421 1.111522  0.9438839      0.1957126 0.7863485      0.3116784 1.046436       0.2514717 -1.541214      2.223044  
1 1 1 -23 20 21 o 42.00847 0.6729112 17.60867       0.5639782 18.64862       0.8340083 16.73243       0.7655526 2.274529       1.345822  
1 1 1 -23 20 22 o 67.57238 0.8448192 45.78517       1.141727  45.72707       1.612886  45.84352       1.616411  -0.8576965E-01 1.689638  
1 1 1 -23 20 23 o 10.32989 1.156620  1.034182       0.2282621 1.399809       0.3726723 0.8146581      0.2887677 2.946227       2.313240  
1 1 1 -23 20 24 f 42.08438 0.6891764 17.74277       0.5798545 17.78365       0.8319282 17.70415       0.8086437 0.9223557E-01  1.378353  
1 1 1 -23 20 25 o 39.13108 0.6756274 15.07605       0.5235541 17.28990       0.8130602 13.50782       0.6843092 4.820202       1.351255  
1 1 1 -23 20 26 o 24.76123 0.7133974 6.158203       0.3497595 6.040232       0.5309352 6.248650       0.4648880 -0.4276829     1.426795  
1 1 1 -23 20 27 o 39.78455 0.6918942 15.86858       0.5501572 15.24638       0.7799954 16.48459       0.7760987 -1.556545      1.383788  
1 1 1 -23 20 28 o 25.75692 0.7188904 6.560622       0.3656506 7.185548       0.5735049 6.132600       0.4746300 2.033449       1.437781  
1 1 1 -23 20 29 o 39.27167 0.6981339 15.46843       0.5477563 15.11841       0.7874717 15.79654       0.7624240 -0.8660927     1.396268  
1 1 1 -23 20 30 o 25.69593 0.7402338 6.709197       0.3750481 5.604687       0.5427687 7.718452       0.5188366 -4.115910      1.480468  
1 1 1 -23 20 31 o 38.31483 0.7150381 14.73825       0.5471292 14.03629       0.7813244 15.41366       0.7664063 -1.799271      1.430076  
1 1 1 -23 20 32 f 19.11578 0.8905997 3.788082       0.3274624 3.145537       0.5126188 4.231045       0.4256238 -2.852587      1.781199  
1 1 1 -23 20 33 o 25.95498 0.7662030 6.683350       0.3917914 7.166132       0.6179226 6.358783       0.5066517 1.540249       1.532406  
1 1 1 -23 20 34 o 36.85299 0.8335456 13.57596       0.5786349 13.78741       1.007756  13.47196       0.7067484 0.3837166      1.667091  
1 1 1 -23 20 35 o 34.56034 0.8439376 11.72814       0.5598957 12.90253       0.9532611 11.10962       0.6917974 2.552963       1.687875  
1 1 1 -23 20 36 o 34.54276 0.9237123 11.92551       0.6313782 12.40804       0.9742483 11.57611       0.8290336 1.177998       1.847425  
1 1 1 -23 20 37 o 27.33054 0.9779450 7.681130       0.5218230 6.036500       0.7608674 9.141675       0.7170213 -5.689148      1.955890  
1 1 1 -23 20 38 f 12.72283 1.624709  1.690920       0.3792077 1.624285       0.6546069 1.724576       0.4652164 -0.6963749     3.249418  
1 1 1 -23 20 39 o 13.64006 1.484012  1.788921       0.3839908 2.451736       0.6517062 1.436445       0.4752473 3.820698       2.968024  
1 1 1 -23 20 40 f 47.44095 1.000030  22.66626       0.9452542 22.41408       1.394621  22.88056       1.285607  -0.5156441     2.000060  
1 1 1 -23 20 41 o 16.38425 1.362469  2.637268       0.4318828 3.025576       0.7263739 2.424927       0.5371403 1.774097       2.724937  
1 1 1 -23 20 42 o 10.53045 1.946130  1.183306       0.4023883 1.120347       0.6821575 1.216904       0.4983175 -0.3829107     3.892260  
1 1 1 -23 20 43 o 55.23295 1.079617  30.77302       1.191722  29.37292       1.683462  32.17942       1.687242  -2.539577      2.159234  
1 1 1 -23 20 44 o 35.89523 1.004391  12.93466       0.7108526 13.20866       1.107075  12.74244       0.9272540 0.6054573      2.008781  
1 1 1 -23 20 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 21 1  o 36.40063 1.191654  13.23047       0.8642053 12.27451       1.161743  14.41487       1.293130  -2.918499      2.383307  
1 1 1 -23 21 2  f 31.77800 1.249052  10.10371       0.7898154 9.643628       1.055770  10.68843       1.190212  -1.620987      2.498104  
1 1 1 -23 21 3  f 21.18756 1.566792  4.421492       0.6540643 3.528863       0.8581947 5.658515       1.010274  -4.993484      3.133583  
1 1 1 -23 21 4  o 51.68520 1.213536  26.86225       1.254375  27.22556       1.782334  26.50570       1.765693  0.6936607      2.427071  
1 1 1 -23 21 5  o 13.09153 4.701921  0.000000       0.000000  ?              ?         1.545433       1.571428  ?              ?         
1 1 1 -23 21 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 21 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 21 8  o 30.89755 1.793512  9.604774       1.108302  9.604774       1.108302  ?              ?         ?              ?         
1 1 1 -23 21 9  o 27.34157 1.307756  7.512319       0.7145603 7.205976       0.9875877 7.848895       1.035173  -1.167391      2.615513  
1 1 1 -23 21 10 o 31.50425 1.221281  9.967526       0.7687891 9.680675       1.059642  10.28633       1.117096  -0.9518356     2.442562  
1 1 1 -23 21 11 f 57.33227 1.217713  32.92084       1.392917  31.18724       1.891191  34.97631       2.059292  -3.277073      2.435426  
1 1 1 -23 21 12 o 27.27868 1.293340  7.484891       0.7050257 7.068929       0.9859840 7.920079       1.008511  -1.556194      2.586680  
1 1 1 -23 21 13 o 15.44339 1.952515  2.465979       0.5859811 2.051066       0.8165551 2.906534       0.8414086 -3.012186      3.905031  
1 1 1 -23 21 14 o 45.48384 0.6617368 20.59177       0.5996843 19.27452       0.8062626 22.22279       0.8971652 -3.232895      1.323474  
1 1 1 -23 21 15 o 25.00180 0.5688456 6.262312       0.2842752 6.073685       0.4045102 6.446377       0.3995866 -0.7457104     1.137691  
1 1 1 -23 21 16 o 50.10606 0.7052463 25.15469       0.7066836 25.19940       0.9935066 25.10890       1.005403  0.9144592E-01  1.410493  
1 1 1 -23 21 17 o 17.73233 0.6508036 3.084186       0.2283970 3.709255       0.3533175 2.635477       0.2993530 3.022957       1.301607  
1 1 1 -23 21 18 o 12.83339 0.8333267 1.732856       0.2034770 1.221874       0.3045349 2.144945       0.2734830 -3.599750      1.666653  
1 1 1 -23 21 19 f 35.42210 0.6465628 12.48728       0.4559351 10.93479       0.6201029 14.31421       0.6726806 -4.765514      1.293126  
1 1 1 -23 21 20 o 14.00373 0.7877086 1.971732       0.2183461 1.923350       0.3313276 2.008874       0.2902999 -0.3098898     1.575417  
1 1 1 -23 21 21 o 10.88987 1.016467  1.209846       0.2163782 1.088139       0.3337346 1.298110       0.2842076 -0.9712000     2.032934  
1 1 1 -23 21 22 o 65.81508 0.8343555 43.32135       1.096200  45.32536       1.611559  41.59567       1.495465  2.819359       1.668711  
1 1 1 -23 21 23 o 10.68678 1.222689  1.284578       0.2325061 0.8230798      0.3753703 1.571854       0.2961590 -3.664948      2.445378  
1 1 1 -23 21 24 o 46.32156 0.7114155 21.48454       0.6585411 21.91524       0.9542750 21.09292       0.9099416 0.8829651      1.422831  
1 1 1 -23 21 25 o 23.69873 0.7180079 5.685977       0.3365192 5.129586       0.4988277 6.150699       0.4558862 -2.158981      1.436016  
1 1 1 -23 21 26 o 8.962333 1.393758  0.8523443      0.2399491 0.7204776      0.3960922 0.9287921      0.3015861 -1.297403      2.787515  
1 1 1 -23 21 27 o 32.27495 0.6891605 10.48483       0.4427953 9.812445       0.6442943 11.08669       0.6095625 -1.977995      1.378321  
1 1 1 -23 21 28 o 27.54374 0.7197922 7.645226       0.3932967 7.254783       0.5861583 7.964944       0.5304204 -1.296053      1.439584  
1 1 1 -23 21 29 o 18.76115 0.8400002 3.548299       0.3079979 3.454202       0.4872289 3.610926       0.3974923 -0.4308376     1.680000  
1 1 1 -23 21 30 f 36.14636 0.7109566 13.05937       0.5114574 13.47951       0.7670794 12.72309       0.6862684 1.036194       1.421913  
1 1 1 -23 21 31 o 54.50066 0.9062498 30.28906       0.9615101 27.60418       1.507471  32.13047       1.248427  -4.193592      1.812500  
1 1 1 -23 21 32 o 37.60153 0.8392256 13.89134       0.6052715 15.22688       1.031733  13.19049       0.7473990 2.664616       1.678451  
1 1 1 -23 21 33 f 50.43703 0.9808693 25.52805       0.9879446 23.62481       1.369603  27.59259       1.426460  -3.922810      1.961739  
1 1 1 -23 21 34 o 36.71677 0.9071038 13.53230       0.6605766 13.62802       1.002400  13.45883       0.8782541 0.2081604      1.814208  
1 1 1 -23 21 35 o 27.22062 0.9326627 7.429275       0.4983676 7.533913       0.7862458 7.358998       0.6443437 0.2948666      1.865325  
1 1 1 -23 21 36 o 38.76250 0.9501097 14.76723       0.7239356 11.43799       0.9541819 19.28299       1.111280  -10.08780      1.900219  
1 1 1 -23 21 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 21 38 o 11.34391 1.641176  1.629561       0.3737960 0.3612131      0.6236394 2.340701       0.4669731 -7.799551      3.282353  
1 1 1 -23 21 39 o 23.09439 1.074435  5.332950       0.4790494 5.526278       0.7944582 5.222497       0.6005010 0.6105080      2.148870  
1 1 1 -23 21 40 o 15.76812 1.366082  2.468204       0.4141840 2.695718       0.7011102 2.346239       0.5133337 1.047081       2.732164  
1 1 1 -23 21 41 o 21.53254 1.160723  4.869551       0.4783756 3.840604       0.7419978 5.601460       0.6257982 -4.121773      2.321447  
1 1 1 -23 21 42 o 49.17138 1.024364  24.38502       1.006048  23.41463       1.439959  25.31041       1.406177  -1.936172      2.048728  
1 1 1 -23 21 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 22 1  f 35.87744 1.256415  12.95617       0.9015045 12.80198       1.272451  13.11157       1.277403  -0.4305344     2.512830  
1 1 1 -23 22 2  o 58.05388 1.805469  0.000000       0.000000  ?              ?         33.92992       2.096289  ?              ?         
1 1 1 -23 22 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 22 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 22 5  o 29.56301 1.851571  8.801240       1.094760  8.801240       1.094760  ?              ?         ?              ?         
1 1 1 -23 22 6  o 30.12048 1.289590  9.141562       0.7759892 9.324703       1.079008  8.945369       1.116796  0.6367321      2.579180  
1 1 1 -23 22 7  o 51.39989 1.201324  26.33551       1.228917  24.16283       1.642120  29.10143       1.852789  -4.767677      2.402649  
1 1 1 -23 22 8  f 35.38568 1.219222  12.60114       0.8623617 12.73880       1.203269  12.45577       1.236539  0.4057312      2.438443  
1 1 1 -23 22 9  o 19.23174 1.649786  3.741471       0.6325598 4.130272       0.9033760 3.367462       0.8860255 1.979124       3.299571  
1 1 1 -23 22 10 o 43.07146 1.172418  18.65571       1.009867  18.93497       1.428021  18.37634       1.428315  0.6485405      2.344835  
1 1 1 -23 22 11 o 64.94859 1.289529  42.17530       1.668858  46.01951       2.493949  39.05815       2.245756  5.313293       2.579059  
1 1 1 -23 22 12 o 41.26469 1.182762  16.99946       0.9725516 15.50486       1.311642  18.82463       1.449452  -3.999111      2.365524  
1 1 1 -23 22 13 o 9.306308 2.340985  0.7535955      0.5536949 0.9621443      0.7898265 0.5520608      0.7764310 1.354609       4.681971  
1 1 1 -23 22 14 o 7.642016 0.7429916 0.6293596      0.1037196 0.4340731      0.1577168 0.7781779      0.1376797 -2.347831      1.485983  
1 1 1 -23 22 15 o 20.08181 0.5725721 4.029576       0.2296025 4.186385       0.3363603 3.892760       0.3141865 0.7292213      1.145144  
1 1 1 -23 22 16 o 11.71429 0.7842958 1.412160       0.1789320 1.127044       0.2656335 1.648989       0.2420971 -2.230445      1.568592  
1 1 1 -23 22 17 o 49.21081 0.7097253 24.26681       0.6985123 24.39363       0.9912065 24.14171       0.9845185 0.2552681      1.419451  
1 1 1 -23 22 18 o 64.95151 0.8250201 42.25592       1.070952  41.02542       1.480516  43.60646       1.551056  -1.978367      1.650040  
1 1 1 -23 22 19 o 10.83982 0.9372233 1.169845       0.1981889 1.221607       0.3205870 1.137824       0.2521436 0.3770170      1.874447  
1 1 1 -23 22 20 o 95.18891 1.091525  91.00405       2.076957  89.17002       2.881847  92.98626       2.996000  -1.985840      2.183050  
1 1 1 -23 22 21 o 39.34672 0.6745540 15.36836       0.5276887 16.82720       0.8013000 14.25122       0.7012055 3.263004       1.349108  
1 1 1 -23 22 22 o 44.39252 0.6967461 19.74352       0.6183197 18.91364       0.8664061 20.60489       0.8826934 -1.903080      1.393492  
1 1 1 -23 22 23 o 39.37760 0.6894319 15.21843       0.5363935 17.67643       0.8424273 13.54244       0.6956286 5.232338       1.378864  
1 1 1 -23 22 24 o 14.30786 0.9318488 2.075531       0.2591087 1.968356       0.4131647 2.145007       0.3326542 -0.6300583     1.863698  
1 1 1 -23 22 25 o 23.93968 0.7231889 5.460843       0.3374957 7.258194       0.5556608 4.410195       0.4248362 5.931688       1.446378  
1 1 1 -23 22 26 o 57.51271 0.7920539 33.16581       0.9108523 32.27690       1.273561  34.09662       1.303231  -1.577869      1.584108  
1 1 1 -23 22 27 o 10.98679 1.299003  1.246114       0.2554973 1.218653       0.4590619 1.258438       0.3075298 -0.4097881     2.598005  
1 1 1 -23 22 28 o 20.26542 0.9202920 4.154053       0.3478974 4.041053       0.6106525 4.208355       0.4233138 -0.4427986     1.840584  
1 1 1 -23 22 29 o 11.59318 1.375578  1.350330       0.2916126 1.463701       0.5180627 1.297748       0.3528148 0.4729013      2.751155  
1 1 1 -23 22 30 o 29.05021 0.8787017 8.568856       0.5045529 7.615213       0.7447925 9.377713       0.6859278 -3.043203      1.757403  
1 1 1 -23 22 31 o 19.92531 1.012170  4.054529       0.3873943 3.759341       0.6314018 4.232732       0.4905845 -1.215406      2.024339  
1 1 1 -23 22 32 o 34.19974 0.8924205 11.82769       0.6060332 10.43479       0.8701684 13.13971       0.8445274 -3.959118      1.784841  
1 1 1 -23 22 33 o 9.243008 1.785628  0.8319488      0.3271376 1.156595       0.5654215 0.6685908      0.4010855 2.410849       3.571256  
1 1 1 -23 22 34 o 16.66763 1.181427  2.536531       0.3746753 3.934229       0.6566373 1.861781       0.4562366 6.164888       2.362853  
1 1 1 -23 22 35 o 35.76019 0.9129122 12.92030       0.6471094 12.30778       0.9689406 13.41346       0.8694276 -1.566059      1.825824  
1 1 1 -23 22 36 o 15.79271 1.285976  2.517396       0.3831240 2.527610       0.6629092 2.512273       0.4694704 -0.5769730E-02 2.571951  
1 1 1 -23 22 37 o 19.16240 1.209985  3.893329       0.4352190 3.076601       0.7064080 4.393014       0.5525420 -3.475897      2.419971  
1 1 1 -23 22 38 o 36.09713 0.9566475 13.19593       0.6843184 12.37916       1.020405  13.86352       0.9225257 -2.078487      1.913295  
1 1 1 -23 22 39 o 27.66272 1.009478  7.259270       0.5372422 9.411496       0.9284065 6.175745       0.6587396 5.779503       2.018955  
1 1 1 -23 22 40 o 33.78954 0.9819059 11.44204       0.6508741 11.75438       1.031914  11.23568       0.8387654 0.7213554      1.963812  
1 1 1 -23 22 41 o 22.98603 2.248384  0.000000       0.000000  ?              ?         5.378452       1.033629  ?              ?         
1 1 1 -23 23 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 23 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 23 3  o 45.71066 1.231845  21.03198       1.123139  20.89798       1.530994  21.18813       1.652697  -0.2926331     2.463689  
1 1 1 -23 23 4  o 63.41222 1.307428  40.48917       1.656884  39.62095       2.290336  41.44244       2.399877  -1.412994      2.614857  
1 1 1 -23 23 5  o 47.90253 1.228126  23.03110       1.174534  21.90962       1.603907  24.32795       1.724753  -2.500515      2.456252  
1 1 1 -23 23 6  o 52.96331 1.237540  28.08953       1.307315  30.76831       1.931596  25.82532       1.775853  4.636040       2.475080  
1 1 1 -23 23 7  o 85.87907 1.522234  74.50526       2.614499  75.22449       3.707387  73.79369       3.687612  0.8283234      3.044467  
1 1 1 -23 23 8  o 36.79539 1.240500  13.63046       0.9128922 13.65025       1.292369  13.61076       1.289685  0.5313492E-01  2.481000  
1 1 1 -23 23 9  o 14.43297 2.193948  2.205292       0.6159497 1.918074       0.8624609 2.504291       0.8799718 -2.002088      4.387897  
1 1 1 -23 23 10 o 31.06019 1.284987  9.719872       0.7968774 8.997948       1.118724  10.46344       1.135370  -2.355816      2.569975  
1 1 1 -23 23 11 o 50.11555 1.206802  25.25985       1.209077  24.74244       1.680255  25.81546       1.741156  -1.059147      2.413604  
1 1 1 -23 23 12 o 9.386337 2.384953  0.7412297      0.5803875 1.037124       0.8292742 0.4571400      0.8125644 1.835797       4.769906  
1 1 1 -23 23 13 f 9.215718 2.269356  0.5782517      0.5772507 -0.1863927     0.8046075 1.389245       0.8286342 -4.631042      4.538712  
1 1 1 -23 23 14 o 28.24567 1.365549  8.045436       0.7711495 8.058751       1.077008  8.031428       1.104657  0.5437088E-01  2.731099  
1 1 1 -23 23 15 o 46.18595 0.7607908 21.05917       0.6781504 22.61750       1.134627  20.19311       0.8458585 2.589283       1.521582  
1 1 1 -23 23 16 o 19.27803 0.6030108 3.699587       0.2315264 3.970362       0.3473168 3.483028       0.3106059 1.260326       1.206022  
1 1 1 -23 23 17 o 16.65023 0.6660120 2.668150       0.2170398 3.577035       0.3462614 2.079968       0.2785515 4.488119       1.332024  
1 1 1 -23 23 18 o 38.84440 0.6540455 15.04126       0.5064961 16.09849       0.7540892 14.17227       0.6836652 2.471554       1.308091  
1 1 1 -23 23 19 o 57.35060 0.7743124 32.81792       0.8854501 30.87209       1.196529  35.17345       1.316479  -3.733940      1.548625  
1 1 1 -23 23 20 f 58.98185 0.7907259 34.67091       0.9288606 37.32355       1.393719  32.55114       1.245891  4.025166       1.581452  
1 1 1 -23 23 21 o 58.01762 0.7848156 33.72581       0.9101328 32.60456       1.261487  34.94309       1.314386  -2.008060      1.569631  
1 1 1 -23 23 22 o 26.23460 0.6674579 6.735241       0.3456317 7.960669       0.5450832 5.911218       0.4469803 3.894449       1.334916  
1 1 1 -23 23 23 o 27.15232 0.6971491 7.278862       0.3709512 7.931890       0.5970128 6.868205       0.4734318 1.943531       1.394298  
1 1 1 -23 23 24 o 21.20212 0.8190973 4.548699       0.3335239 4.370160       0.5495561 4.652805       0.4196428 -0.6851959     1.638195  
1 1 1 -23 23 25 o 26.30975 0.8069986 6.986364       0.4098825 6.783747       0.6691055 7.108068       0.5185717 -0.6380291     1.613997  
1 1 1 -23 23 26 o 29.48287 0.8412093 8.805092       0.4907798 7.464373       0.7026484 10.08226       0.6857933 -4.442270      1.682419  
1 1 1 -23 23 27 f 24.70649 0.8925793 6.270555       0.4308545 5.197221       0.6441399 7.139575       0.5795984 -3.941692      1.785159  
1 1 1 -23 23 28 o 21.79376 0.9203320 4.763771       0.3893922 4.807009       0.6330128 4.737449       0.4938911 0.1344719      1.840664  
1 1 1 -23 23 29 o 26.13539 0.8725370 6.779624       0.4484515 7.287349       0.7119685 6.445709       0.5773833 1.586723       1.745074  
1 1 1 -23 23 30 o 21.39914 0.9784759 4.616275       0.4042105 4.559251       0.6627313 4.650053       0.5100666 -0.2423954     1.956952  
1 1 1 -23 23 31 o 48.60941 0.9672275 23.70081       0.9382512 21.59637       1.293562  26.03701       1.362929  -4.553055      1.934455  
1 1 1 -23 23 32 o 38.93462 0.9060879 15.20319       0.7000071 15.50749       1.063220  14.97035       0.9300172 0.6628838      1.812176  
1 1 1 -23 23 33 f 46.76532 0.9642242 21.89874       0.8986994 19.49312       1.230321  24.65065       1.315896  -5.496124      1.928448  
1 1 1 -23 23 34 o 54.91445 1.032871  30.37171       1.132751  30.15514       1.643510  30.56768       1.563396  -0.3942642     2.065743  
1 1 1 -23 23 35 f 24.20968 1.014666  5.917356       0.4775656 5.829841       0.7687109 5.972364       0.6094443 -0.3317909     2.029332  
1 1 1 -23 23 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 23 37 f 18.61391 1.169533  3.279331       0.4199288 4.399119       0.7197727 2.701501       0.5170445 4.500217       2.339066  
1 1 1 -23 23 38 f 13.55867 1.711894  2.229886       0.4075754 1.101408       0.6793812 2.864395       0.5094318 -6.599208      3.423788  
1 1 1 -23 23 39 o 17.02570 2.783211  0.000000       0.000000  ?              ?         2.979129       0.9477226 ?              ?         
1 1 1 -23 24 1  f 23.17950 1.708239  5.466587       0.7828550 6.544995       1.125603  4.456198       1.089527  4.494854       3.416478  
1 1 1 -23 24 2  o 49.79306 1.268686  24.67117       1.254503  22.30740       1.658450  27.83265       1.917984  -5.489880      2.537371  
1 1 1 -23 24 3  o 8.933531 2.451384  0.4692549      0.6455245 0.7222170E-01  0.9038158 0.8826789      0.9222833 -2.143947      4.902768  
1 1 1 -23 24 4  o 38.14496 1.276237  14.66425       0.9723976 14.58369       1.340081  14.75383       1.413185  -0.2065582     2.552474  
1 1 1 -23 24 5  o 38.37287 1.294358  14.81648       0.9919734 15.95447       1.437043  13.78066       1.371010  2.817432       2.588717  
1 1 1 -23 24 6  o 27.97267 1.417763  7.891602       0.7923403 7.664313       1.090641  8.145640       1.153037  -0.8447609     2.835525  
1 1 1 -23 24 7  o 8.168900 2.358905  0.2165805      0.6261159 -0.1578092     0.8972067 0.5719877      0.8741658 -1.612916      4.717809  
1 1 1 -23 24 8  o 41.61661 1.250203  17.44124       1.039870  17.12140       1.439263  17.79054       1.504074  -0.7896538     2.500407  
1 1 1 -23 24 9  o 56.17280 1.280331  31.67772       1.435351  34.34336       2.108763  29.37664       1.959258  4.387218       2.560662  
1 1 1 -23 24 10 o 57.18453 1.286545  32.93780       1.470612  34.41388       2.115634  31.55777       2.045650  2.481415       2.573090  
1 1 1 -23 24 11 o 25.78227 1.484593  6.714179       0.7647384 7.154488       1.098074  6.299481       1.065661  1.649654       2.969186  
1 1 1 -23 24 12 o 35.53803 1.288220  12.73143       0.9148339 13.45833       1.305199  12.02945       1.282638  2.005245       2.576440  
1 1 1 -23 24 13 o 40.46732 1.244760  16.44832       1.005723  15.53891       1.374818  17.49522       1.475085  -2.395153      2.489520  
1 1 1 -23 24 14 o 51.36559 1.239645  26.58640       1.273501  26.56885       1.800297  26.60399       1.801709  -0.3390121E-01 2.479289  
1 1 1 -23 24 15 o 18.95244 0.5667703 3.573819       0.2139482 3.859059       0.3208833 3.345528       0.2870694 1.351410       1.133541  
1 1 1 -23 24 16 o 67.77510 0.8510275 46.09223       1.153453  46.70594       1.645581  45.49948       1.617245  0.8857880      1.702055  
1 1 1 -23 24 17 o 39.54612 0.6822319 15.64519       0.5358312 15.92585       0.8101336 15.42693       0.7144191 0.6192703      1.364464  
1 1 1 -23 24 18 o 21.55268 0.7015364 4.772578       0.2949414 3.845060       0.4375013 5.545300       0.3993278 -3.949034      1.403073  
1 1 1 -23 24 19 o 23.33108 1.296534  6.055305       0.4674727 6.449321       0.5270571 4.602271       1.012136  4.059601       2.593069  
1 1 1 -23 24 20 o 44.05659 1.072576  19.37903       0.8801945 19.12949       1.062772  19.92403       1.570590  -0.8044167     2.145153  
1 1 1 -23 24 21 o 25.49926 1.487341  7.090618       0.6860304 8.090654       0.8492965 5.213006       1.163736  5.723700       2.974683  
1 1 1 -23 24 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 24 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 25 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 25 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 25 3  f 70.50881 2.754347  0.000000       0.000000  ?              ?         50.75698       3.884115  ?              ?         
1 1 1 -23 25 4  o 35.34578 2.484081  0.000000       0.000000  ?              ?         12.70392       1.756036  ?              ?         
1 1 1 -23 25 5  o 53.79676 2.468080  0.000000       0.000000  ?              ?         29.41780       2.655494  ?              ?         
1 1 1 -23 25 6  f 50.56819 2.413818  0.000000       0.000000  ?              ?         25.97105       2.441249  ?              ?         
1 1 1 -23 25 7  o 46.22200 2.385734  0.000000       0.000000  ?              ?         21.68877       2.205468  ?              ?         
1 1 1 -23 25 8  o 43.44184 1.876640  0.000000       0.000000  ?              ?         19.04827       1.630494  ?              ?         
1 1 1 -23 25 9  o 11.09492 3.901550  0.000000       0.000000  ?              ?         1.150363       1.076883  ?              ?         
1 1 1 -23 25 10 o 54.37857 2.396172  0.000000       0.000000  ?              ?         30.01952       2.606009  ?              ?         
1 1 1 -23 25 11 o 41.55257 2.286385  0.000000       0.000000  ?              ?         17.50538       1.900104  ?              ?         
1 1 1 -23 25 12 o 24.68994 2.636164  0.000000       0.000000  ?              ?         6.208626       1.301735  ?              ?         
1 1 1 -23 25 13 o 33.87173 2.349313  0.000000       0.000000  ?              ?         11.64238       1.591506  ?              ?         
1 1 1 -23 25 14 o 14.40370 3.942006  0.000000       0.000000  ?              ?         2.232463       1.168241  ?              ?         
1 1 1 -23 25 15 o 33.34193 0.6831235 10.93910       0.4507252 12.61467       0.7024883 9.766683       0.5876245 4.255749       1.366247  
1 1 1 -23 25 16 o 33.69242 0.7021394 11.37271       0.4724914 11.56397       0.6887677 11.20269       0.6493780 0.5307541      1.404279  
1 1 1 -23 25 17 o 49.21498 0.8743780 24.22342       0.8578624 25.53034       1.276651  23.14747       1.158358  2.400524       1.748756  
1 1 1 -23 25 18 o 24.98463 0.6976012 6.278044       0.3468159 5.535770       0.4893532 7.027143       0.4915980 -2.984270      1.395202  
1 1 1 -23 25 19 o 12.55428 0.8883005 1.499603       0.2170772 2.037911       0.3576591 1.185653       0.2731394 3.379337       1.776601  
1 1 1 -23 25 20 o 34.70349 0.7616444 12.00647       0.5254566 12.75235       0.7964475 11.43157       0.6992247 1.888126       1.523289  
1 1 1 -23 25 21 o 23.33828 0.7589069 5.454707       0.3491096 5.523371       0.5433082 5.406419       0.4556180 0.2371197      1.517814  
1 1 1 -23 25 22 o 36.71034 0.8081291 13.50154       0.5912622 11.99667       0.8175377 15.15186       0.8561395 -4.290913      1.616258  
1 1 1 -23 25 23 o 50.14297 0.9232652 25.20324       0.9230124 26.14488       1.369947  24.42043       1.249082  1.695225       1.846530  
1 1 1 -23 25 24 o 46.10386 0.9010836 21.18442       0.8273023 18.99842       1.114267  23.86973       1.234987  -5.258678      1.802167  
1 1 1 -23 25 25 o 9.846734 1.459032  1.192531       0.2778760 0.4294049      0.4742028 1.591608       0.3429208 -5.464952      2.918064  
1 1 1 -23 25 26 o 57.55314 1.026105  33.32788       1.180712  32.13116       1.653472  34.57300       1.686577  -2.113895      2.052210  
1 1 1 -23 25 27 f 25.82666 0.8821252 6.568954       0.4467604 7.367483       0.7205135 6.070175       0.5694438 2.481806       1.764250  
1 1 1 -23 25 28 f 25.92291 0.8896695 6.724382       0.4529180 6.910625       0.7158133 6.600039       0.5848851 0.5725002      1.779339  
1 1 1 -23 25 29 o 32.91878 0.8709322 10.80394       0.5679223 11.50009       0.8759373 10.29907       0.7459566 1.797588       1.741864  
1 1 1 -23 25 30 o 14.54253 1.231828  2.173099       0.3435294 2.002467       0.5606811 2.275654       0.4346737 -0.9766665     2.463657  
1 1 1 -23 25 31 o 37.40891 0.8957435 14.06199       0.6655980 14.18069       1.003414  13.96872       0.8894518 0.2575760      1.791487  
1 1 1 -23 25 32 o 11.39192 1.546248  1.317322       0.3273122 1.431095       0.5692410 1.261127       0.4000612 0.4484034      3.092496  
1 1 1 -23 25 33 o 23.25188 1.039073  5.630533       0.4660327 4.533020       0.7147158 6.442313       0.6146785 -4.130463      2.078147  
1 1 1 -23 25 34 o 30.71666 1.999897  0.000000       0.000000  ?              ?         9.571256       1.228603  ?              ?         
1 1 1 -23 26 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 26 15 o 33.05310 0.6770868 10.95136       0.4474359 10.54589       0.6264855 11.37351       0.6392474 -1.250084      1.354174  
1 1 1 -23 26 16 o 46.75592 0.8339320 21.83142       0.7766840 23.30597       1.163572  20.64646       1.043075  2.821880       1.667864  
1 1 1 -23 26 17 o 26.96112 0.6725114 7.256639       0.3609971 7.623580       0.5416917 6.963469       0.4841884 1.215567       1.345023  
1 1 1 -23 26 18 o 25.39457 0.6903931 6.404914       0.3482746 7.003688       0.5314633 5.954248       0.4610724 2.055391       1.380786  
1 1 1 -23 26 19 o 27.52348 0.7034283 7.493492       0.3835000 8.351518       0.5945539 6.882165       0.5018555 2.654751       1.406857  
1 1 1 -23 26 20 o 34.60761 0.7606624 12.03216       0.5252646 11.83033       0.7659018 12.21137       0.7217364 -0.5579224     1.521325  
1 1 1 -23 26 21 o 36.14808 0.7805319 13.07912       0.5618244 13.50044       0.8400885 12.73822       0.7556776 1.039776       1.561064  
1 1 1 -23 26 22 o 23.44699 0.7715738 5.354783       0.3545728 6.343336       0.5757872 4.750908       0.4500235 3.374121       1.543148  
1 1 1 -23 26 23 o 20.05520 0.8171293 4.011621       0.3201658 4.166849       0.5151290 3.913913       0.4086905 0.6109352      1.634259  
1 1 1 -23 26 24 o 45.68836 0.8851564 20.83986       0.8035335 22.17058       1.221645  19.82516       1.066771  2.535049       1.770313  
1 1 1 -23 26 25 o 43.51328 0.8812529 19.04629       0.7657501 18.76227       1.109363  19.30478       1.058308  -0.6340408     1.762506  
1 1 1 -23 26 26 o 17.95618 0.9707503 3.161908       0.3359411 3.552211       0.5686870 2.952701       0.4163518 1.633125       1.941501  
1 1 1 -23 26 27 o 18.90552 0.9876330 3.667209       0.3626954 3.276457       0.5680594 3.936131       0.4712550 -1.768387      1.975266  
1 1 1 -23 26 28 o 25.25742 0.8797788 6.385541       0.4373145 6.572575       0.6866481 6.257905       0.5672334 0.5967903      1.759558  
1 1 1 -23 26 29 o 25.36456 0.9103673 6.509656       0.4537611 6.248034       0.7031161 6.696390       0.5940207 -0.9078846     1.820735  
1 1 1 -23 26 30 o 17.33765 1.072122  2.958331       0.3601349 3.314208       0.6012695 2.759234       0.4497297 1.560255       2.144244  
1 1 1 -23 26 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 27 15 f 36.84853 0.7134445 13.49907       0.5228186 14.78192       0.7925556 12.51076       0.6956420 3.066021       1.426889  
1 1 1 -23 27 16 o 50.46108 0.8787641 25.58984       0.8867348 25.63830       1.265571  25.54311       1.242804  0.8973694E-01  1.757528  
1 1 1 -23 27 17 o 48.14262 1.053757  23.45278       0.9569482 23.01815       1.646962  23.67431       1.175791  -0.7944946     2.107515  
1 1 1 -23 27 18 o 29.31900 0.7036385 8.612148       0.4113517 8.774408       0.6082522 8.475389       0.5584159 0.5017319      1.407277  
1 1 1 -23 27 19 f 20.77295 0.7329369 4.406986       0.2990777 3.748304       0.4438612 4.954722       0.4047575 -2.910543      1.465874  
1 1 1 -23 27 20 o 12.15907 0.9460268 1.438798       0.2231853 1.686048       0.3736253 1.301625       0.2782929 1.558828       1.892054  
1 1 1 -23 27 21 o 26.34623 0.7459716 6.955116       0.3890171 7.060270       0.5964240 6.877257       0.5132121 0.3318958      1.491943  
1 1 1 -23 27 22 o 21.55699 0.7919028 4.424050       0.3315000 5.772169       0.5561140 3.680972       0.4128734 4.821655       1.583806  
1 1 1 -23 27 23 f 42.61170 0.8525679 18.18094       0.7229279 18.92191       1.086651  17.59257       0.9683021 1.534565       1.705136  
1 1 1 -23 27 24 o 35.67944 0.8331612 12.71700       0.5893897 10.54184       0.8030028 15.25743       0.8678103 -6.595100      1.666322  
1 1 1 -23 27 25 o 17.57759 0.9835633 3.155853       0.3307510 2.947530       0.5451613 3.277201       0.4160764 -0.9682312     1.967127  
1 1 1 -23 27 26 o 25.11176 0.8915457 6.514397       0.4355614 5.172641       0.6469558 7.626754       0.5890605 -4.898924      1.783091  
1 1 1 -23 27 27 o 37.60508 1.170107  0.000000       0.000000  ?              ?         14.21176       0.8800396 ?              ?         
1 1 1 -23 28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -23 28 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 0  1  o 19.39918 0.8865265 3.788692       0.3399106 4.203598       0.5023064 3.438199       0.4616726 -0.000000      0.000000  
1 1 1 -22 0  2  o 83.48933 1.331591  69.82902       2.220459  70.64908       3.180671  69.04940       3.101242  -0.000000      0.000000  
1 1 1 -22 0  3  o 84.70306 1.355112  71.89339       2.292990  71.38660       3.241809  72.40079       3.243747  -0.000000      0.000000  
1 1 1 -22 0  4  o 47.25108 0.9013007 22.37002       0.8501123 22.77121       1.220950  21.99252       1.184365  -0.000000      0.000000  
1 1 1 -22 0  5  o 15.35493 0.9932457 2.416105       0.3001683 2.464188       0.4298912 2.370361       0.4193108 -0.000000      0.000000  
1 1 1 -22 0  6  o 98.34248 1.535638  96.80390       3.014222  99.24982       4.378453  94.60045       4.155768  -0.000000      0.000000  
1 1 1 -22 0  7  o 14.87146 1.098343  2.306602       0.3136909 2.807458       0.4466008 1.818873       0.4407098 -0.000000      0.000000  
1 1 1 -22 0  8  o 107.5930 1.661339  115.9993       3.570984  116.6473       5.081697  115.3671       5.019152  -0.000000      0.000000  
1 1 1 -22 0  9  o 166.9107 2.500344  279.3308       8.336794  282.3518       11.92813  276.4458       11.65657  -0.000000      0.000000  
1 1 1 -22 0  10 o 174.7032 2.614750  306.0873       9.125756  308.6533       13.03331  303.6193       12.78190  -0.000000      0.000000  
1 1 1 -22 0  11 o 48.43740 0.9247981 23.51015       0.8942780 23.91588       1.280203  23.12349       1.249748  -0.000000      0.000000  
1 1 1 -22 0  12 o 9.138095 1.808864  1.007866       0.2842083 1.001403       0.3805505 1.016016       0.4273745 -0.000000      0.000000  
1 1 1 -22 0  13 o 96.36856 1.509637  93.01062       2.905255  94.67944       4.181725  91.45355       4.039279  -0.000000      0.000000  
1 1 1 -22 0  14 o 117.5424 1.801595  138.4642       4.230567  139.3048       6.024272  137.6462       5.942418  -0.000000      0.000000  
1 1 1 -22 0  15 o 32.40781 0.8500530 10.54681       0.5490992 10.94942       0.7814564 10.15417       0.7717223 -0.000000      0.000000  
1 1 1 -22 0  16 o 94.43234 1.486394  89.35975       2.804084  89.75668       3.985115  88.97052       3.946317  -0.000000      0.000000  
1 1 1 -22 0  17 o 171.4307 2.569171  294.8521       8.799729  295.6866       12.48889  294.0294       12.40097  -0.000000      0.000000  
1 1 1 -22 0  18 o 65.37077 1.118441  42.82491       1.460366  42.86048       2.065495  42.78936       2.065044  -0.000000      0.000000  
1 1 1 -22 0  19 o 44.96919 0.9548396 20.28581       0.8568612 20.12477       1.222097  20.44152       1.201729  -0.000000      0.000000  
1 1 1 -22 0  20 o 42.89753 1.126742  18.93323       0.9136621 20.03605       1.144987  17.00004       1.515948  -0.000000      0.000000  
1 1 1 -22 0  21 o 140.4110 3.010678  197.7372       8.445991  197.7372       8.445991  197.7372       8.445991  -0.000000      0.000000  
1 1 1 -22 0  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 0  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 0  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 0  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 0  26 o 123.0285 2.672435  151.8324       6.568807  151.8324       6.568807  151.8324       6.568807  -0.000000      0.000000  
1 1 1 -22 0  27 o 55.80452 1.231426  31.84641       1.334857  28.31381       2.073776  34.34554       1.744248  -0.000000      0.000000  
1 1 1 -22 0  28 f 80.40994 1.316941  64.75970       2.113913  63.19020       2.924054  66.47807       3.059598  -0.000000      0.000000  
1 1 1 -22 0  29 o 84.39196 1.366637  71.38428       2.303245  70.31660       3.208878  72.51890       3.307940  -0.000000      0.000000  
1 1 1 -22 0  30 o 8.315317 2.078040  0.9132578      0.3179193 0.7727984      0.4462764 1.057988       0.4530109 -0.000000      0.000000  
1 1 1 -22 0  31 o 64.40840 1.128864  41.58225       1.451887  42.24331       2.079187  40.95316       2.028315  -0.000000      0.000000  
1 1 1 -22 0  32 o 44.09055 0.9385398 19.50493       0.8258761 19.47523       1.175965  19.53384       1.160126  -0.000000      0.000000  
1 1 1 -22 0  33 o 66.16372 1.149822  43.88176       1.519115  44.63313       2.178155  43.17014       2.119741  -0.000000      0.000000  
1 1 1 -22 0  34 o 93.33997 1.492074  87.38840       2.781794  88.35037       3.977143  86.46701       3.892329  -0.000000      0.000000  
1 1 1 -22 0  35 o 39.31988 0.9250289 15.52161       0.7256536 15.38826       1.021789  15.65730       1.030728  -0.000000      0.000000  
1 1 1 -22 0  36 f 61.13539 1.105391  37.39256       1.347446  35.84008       1.842789  39.17625       1.975252  -0.000000      0.000000  
1 1 1 -22 0  37 o 23.01003 1.012192  5.364544       0.4617654 5.494367       0.6468500 5.229636       0.6594007 -0.000000      0.000000  
1 1 1 -22 0  38 o 25.65403 1.009187  6.648794       0.5144306 6.667248       0.7277844 6.630369       0.7272456 -0.000000      0.000000  
1 1 1 -22 0  39 o 63.48038 2.262064  40.56362       2.863963  40.56362       2.863963  40.56362       2.863963  -0.000000      0.000000  
1 1 1 -22 0  40 o 9.927389 2.161534  1.233322       0.3745212 1.217105       0.5389957 1.248461       0.5207799 -0.000000      0.000000  
1 1 1 -22 0  41 o 39.89079 0.9698589 15.98823       0.7717587 15.98123       1.093603  15.99517       1.089273  -0.000000      0.000000  
1 1 1 -22 0  42 f 17.53137 1.311772  3.195093       0.4468130 2.746880       0.6281230 3.654219       0.6357235 -0.000000      0.000000  
1 1 1 -22 0  43 o 12.19088 1.865607  1.677567       0.3937294 2.262781       0.5758731 1.163876       0.5395362 -0.000000      0.000000  
1 1 1 -22 0  44 o 88.42575 1.456882  78.29208       2.566836  74.76937       3.481920  82.48528       3.798862  -0.000000      0.000000  
1 1 1 -22 0  45 o 63.31799 1.167309  40.23812       1.475482  39.17583       2.054000  41.37074       2.120902  -0.000000      0.000000  
1 1 1 -22 0  46 o 6.466686 2.408440  0.6172891      0.4094912 0.6424316      0.5721973 0.5908942      0.5862753 -0.000000      0.000000  
1 1 1 -22 0  47 f 18.69868 1.266096  3.601176       0.4652220 3.752015       0.6637039 3.455480       0.6522911 -0.000000      0.000000  
1 1 1 -22 0  48 o 17.56452 1.378186  3.214942       0.4722780 3.468932       0.6673787 2.960154       0.6684265 -0.000000      0.000000  
1 1 1 -22 0  49 o 55.53664 1.122633  30.98801       1.244446  30.18449       1.742588  31.82430       1.777764  -0.000000      0.000000  
1 1 1 -22 0  50 o 26.91602 1.138740  7.333226       0.6061516 6.527032       0.8402858 8.207883       0.8752376 -0.000000      0.000000  
1 1 1 -22 0  51 o 30.41411 1.080631  9.349806       0.6533886 8.974876       0.9234743 9.725642       0.9245889 -0.000000      0.000000  
1 1 1 -22 0  52 o 35.97832 1.084006  13.04458       0.7764308 12.39792       1.084725  13.72399       1.111856  -0.000000      0.000000  
1 1 1 -22 0  53 o 7.066560 2.560650  0.7433452      0.4603856 0.8783393      0.6448961 0.6030431      0.6574527 -0.000000      0.000000  
1 1 1 -22 0  54 o 27.04301 1.199136  7.394031       0.6409289 6.593072       0.8765438 8.314281       0.9395539 -0.000000      0.000000  
1 1 1 -22 0  55 o 22.32435 1.351520  5.119566       0.5949466 5.107821       0.8426954 5.131240       0.8400738 -0.000000      0.000000  
1 1 1 -22 0  56 o 10.04942 3.104451  1.418730       0.6109039 1.321336       0.7331772 1.639897       1.104849  -0.000000      0.000000  
1 1 1 -22 0  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 1  1  o 114.0531 1.234164  129.8873       2.809772  125.4366       3.832964  135.0570       4.130988  -4.209557      2.468327  
1 1 1 -22 1  2  o 82.02901 0.9273912 67.23328       1.519982  65.42741       2.094398  69.24286       2.209367  -2.323456      1.854782  
1 1 1 -22 1  3  o 104.3026 1.138687  108.7696       2.373629  106.4020       3.282235  111.3654       3.436727  -2.375862      2.277373  
1 1 1 -22 1  4  o 53.20816 0.6805330 27.98371       0.7189329 25.66568       0.9493132 31.10107       1.100893  -5.105698      1.361066  
1 1 1 -22 1  5  o 118.6670 1.279379  140.9352       3.036336  140.4010       4.277210  141.4779       4.311044  -0.4529114     2.558757  
1 1 1 -22 1  6  o 38.87819 0.5958243 14.78337       0.4579821 12.84741       0.5960796 17.57296       0.7155282 -6.076092      1.191649  
1 1 1 -22 1  7  o 40.83613 0.6015262 16.67847       0.4912734 16.78493       0.6967763 16.57322       0.6927721 0.2591743      1.203052  
1 1 1 -22 1  8  o 59.09303 0.7360473 34.89329       0.8693677 33.93505       1.203836  35.93774       1.256818  -1.693836      1.472095  
1 1 1 -22 1  9  o 29.01300 0.5717090 8.407053       0.3314762 8.873042       0.4783774 7.976679       0.4597346 1.544577       1.143418  
1 1 1 -22 1  10 o 60.72106 0.7435838 36.87756       0.9029678 36.62878       1.268479  37.13312       1.285673  -0.4150658     1.487168  
1 1 1 -22 1  11 o 44.26505 0.6277503 19.53495       0.5547902 20.70980       0.8141483 18.51645       0.7580371 2.476894       1.255501  
1 1 1 -22 1  12 o 54.95556 0.7038719 30.13241       0.7724115 31.54208       1.131950  28.90406       1.056643  2.399193       1.407744  
1 1 1 -22 1  13 f 24.93105 0.6043957 6.086130       0.2971431 4.857197       0.3921122 7.743797       0.4554019 -5.788477      1.208791  
1 1 1 -22 1  14 o 87.26257 0.9796929 76.18578       1.709802  76.35278       2.422559  76.02003       2.413517  0.1904907      1.959386  
1 1 1 -22 1  15 o 68.19868 0.8096427 46.36251       1.101620  44.29932       1.495498  48.81015       1.628888  -3.305016      1.619285  
1 1 1 -22 1  16 o 100.4271 1.352590  101.1106       2.567960  100.5061       4.417652  101.4191       3.155932  -0.4887772     2.705181  
1 1 1 -22 1  17 o 53.83734 0.8609005 27.88891       0.8474644 31.72437       1.600090  26.39353       0.9991028 4.939987       1.721801  
1 1 1 -22 1  18 o 135.4388 2.053083  183.4096       5.548450  176.9030       7.545122  191.0714       8.187580  -5.201492      4.106166  
1 1 1 -22 1  19 o 20.55842 0.9601203 4.311968       0.3861906 5.181164       0.5359563 3.373308       0.5569611 4.397324       1.920241  
1 1 1 -22 1  20 f 103.8722 1.613664  107.1014       3.328262  100.4178       4.401027  116.0303       5.086857  -7.489006      3.227328  
1 1 1 -22 1  21 o 96.83433 1.321449  93.09863       2.385973  91.74503       2.881641  96.04994       4.255033  -2.178070      2.642897  
1 1 1 -22 1  22 o 159.2869 2.063102  256.2914       6.271895  260.5503       7.817475  248.5981       10.50688  3.898483       4.126204  
1 1 1 -22 1  23 o 37.59748 0.6204079 14.12783       0.4663096 14.59754       0.6713892 13.69007       0.6481475 1.206398       1.240816  
1 1 1 -22 1  24 o 30.25331 0.6208988 8.926985       0.3706657 11.19743       0.5757023 7.319360       0.4844340 6.407564       1.241798  
1 1 1 -22 1  25 o 75.99033 0.9615116 57.74401       1.443795  57.46747       1.898229  58.12360       2.223893  -0.4214401     1.923023  
1 1 1 -22 1  26 o 38.16022 0.7659375 14.22200       0.5428017 13.66838       0.6497400 15.50106       0.9875913 -2.392609      1.531875  
1 1 1 -22 1  27 f 84.61088 1.370012  71.08559       2.302794  77.09596       3.511252  66.54929       3.050436  6.209946       2.740023  
1 1 1 -22 1  28 o 137.8805 2.100242  191.0185       5.790833  192.8424       8.272892  189.2663       8.108532  1.283127       4.200484  
1 1 1 -22 1  29 o 53.57336 1.015979  28.68309       1.087381  27.60543       1.495316  29.89252       1.584100  -2.130600      2.031957  
1 1 1 -22 1  30 f 40.14146 0.9143265 16.13062       0.7340370 16.12686       1.040872  16.13433       1.035321  -0.9529114E-02 1.828653  
1 1 1 -22 1  31 o 96.45390 1.393326  93.69822       2.653893  90.44781       4.051430  96.14121       3.512370  -2.986443      2.786652  
1 1 1 -22 1  32 o 75.15456 1.090540  56.40697       1.537647  57.06580       2.697166  56.08975       1.871580  0.6052170      2.181081  
1 1 1 -22 1  33 o 14.10537 1.218430  2.277034       0.2847415 0.9675794      0.4136859 3.455910       0.3925179 -8.953963      2.436859  
1 1 1 -22 1  34 o 70.01814 0.8481246 48.95568       1.185521  51.06543       1.741537  47.13374       1.618389  2.801918       1.696249  
1 1 1 -22 1  35 o 52.54637 0.7173694 27.55769       0.7527061 29.00480       1.103160  26.29709       1.029616  2.573460       1.434739  
1 1 1 -22 1  36 o 93.46190 1.058157  87.38797       1.975553  90.26453       2.880898  84.83458       2.714251  2.893600       2.116315  
1 1 1 -22 1  37 f 78.90486 0.9286186 62.31770       1.464620  63.74993       2.114920  60.99786       2.030246  1.738403       1.857237  
1 1 1 -22 1  38 o 91.99387 1.137953  85.13885       2.084558  88.71389       2.856429  81.06553       3.049005  4.172386       2.275905  
1 1 1 -22 1  39 o 67.85968 1.034504  46.07977       1.324418  46.39517       2.294853  45.92224       1.621758  0.2947693      2.069008  
1 1 1 -22 1  40 o 47.13649 0.7068686 21.97615       0.6619940 24.69923       1.009137  19.91908       0.8770910 5.062683       1.413737  
1 1 1 -22 1  41 o 84.00047 0.9819435 70.73013       1.649582  70.21476       2.317928  71.25901       2.348086  -0.6188736     1.963887  
1 1 1 -22 1  42 o 43.40477 0.6963736 18.86483       0.6044952 18.98261       0.8595238 18.74956       0.8503211 0.2678108      1.392747  
1 1 1 -22 1  43 o 75.08959 0.9093037 56.52265       1.365576  56.33212       1.926856  56.71491       1.935604  -0.2540588     1.818607  
1 1 1 -22 1  44 o 53.85463 0.7555693 28.90217       0.8114671 27.04021       1.097940  31.14362       1.204643  -3.800671      1.511139  
1 1 1 -22 1  45 o 37.00143 0.7026954 13.66918       0.5191593 14.67177       0.7592263 12.78868       0.7114998 2.540596       1.405391  
1 1 1 -22 1  46 o 20.10872 0.8503930 4.053381       0.3407506 3.602028       0.4746837 4.533238       0.4894433 -2.313816      1.700786  
1 1 1 -22 1  47 o 22.07834 0.8063448 4.881093       0.3548159 5.463413       0.5117515 4.342025       0.4923798 2.537453       1.612690  
1 1 1 -22 1  48 o 38.91217 0.7222478 15.16791       0.5619873 14.83561       0.7865641 15.51446       0.8032384 -0.8705864     1.444496  
1 1 1 -22 1  49 f 45.67908 0.7394602 20.81913       0.6739818 22.38876       0.9948767 19.48772       0.9162760 3.166939       1.478920  
1 1 1 -22 1  50 o 28.14535 0.7676743 7.939522       0.4319856 7.656355       0.6050485 8.233953       0.6169657 -1.024651      1.535349  
1 1 1 -22 1  51 o 17.16413 1.035046  2.962203       0.3540885 3.294382       0.5072591 2.646526       0.4944985 1.884939       2.070092  
1 1 1 -22 1  52 o 22.17382 0.8928802 4.931151       0.3954215 4.577330       0.5502805 5.308910       0.5685899 -1.646761      1.785760  
1 1 1 -22 1  53 f 12.04137 1.456814  1.491143       0.3423239 1.357329       0.4833330 1.625831       0.4849090 -1.297351      2.913628  
1 1 1 -22 1  54 o 25.07553 0.8509713 6.287311       0.4246035 5.449163       0.5820018 7.241048       0.6208380 -3.566416      1.701943  
1 1 1 -22 1  55 o 31.83494 0.7980617 10.17445       0.5079309 9.808364       0.7154390 10.54649       0.7212415 -1.158293      1.596123  
1 1 1 -22 1  56 o 8.779141 1.952375  0.7802184      0.3802294 0.8204184      0.5672528 0.7474203      0.5123762 0.4072895      3.904751  
1 1 1 -22 1  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 2  1  f 115.0663 1.244288  132.5164       2.863265  131.5385       4.017698  133.5257       4.081594  -0.8617477     2.488577  
1 1 1 -22 2  2  o 117.1369 1.264633  137.0957       2.958367  133.0538       4.054073  141.6997       4.326754  -3.683151      2.529267  
1 1 1 -22 2  3  o 87.83543 0.9818086 76.80122       1.718051  73.01410       2.309958  81.48975       2.570207  -4.819511      1.963617  
1 1 1 -22 2  4  o 127.3677 1.366277  162.3168       3.479074  159.7489       4.840618  165.0606       5.003743  -2.080803      2.732554  
1 1 1 -22 2  5  o 32.52326 0.5726624 10.46036       0.3703884 11.87965       0.5597183 9.354660       0.4940272 3.881107       1.145325  
1 1 1 -22 2  6  o 68.43271 0.8055679 46.84260       1.102485  46.50628       1.549404  47.18752       1.569080  -0.4974518     1.611136  
1 1 1 -22 2  7  o 88.30977 0.9861302 77.64817       1.735330  82.27881       2.591590  73.88445       2.336448  4.748222       1.972260  
1 1 1 -22 2  8  o 75.90427 0.8718229 57.54077       1.321871  55.80867       1.815617  59.49449       1.928283  -2.426178      1.743646  
1 1 1 -22 2  9  o 97.59219 1.076066  95.29368       2.100239  94.79562       2.955218  95.80193       2.985384  -0.5149841     2.152132  
1 1 1 -22 2  10 o 105.6800 1.154191  111.6934       2.438366  109.7594       3.386888  113.7744       3.513327  -1.896957      2.308381  
1 1 1 -22 2  11 o 82.74378 0.9372761 68.25327       1.546959  65.36001       2.097292  71.70562       2.290977  -3.831223      1.874552  
1 1 1 -22 2  12 f 81.98014 0.9309304 67.05805       1.523423  64.50084       2.077704  70.03135       2.240369  -3.370300      1.861861  
1 1 1 -22 2  13 o 66.21569 0.9721329 42.89381       1.188150  46.37936       2.182315  41.42535       1.416494  3.727005       1.944266  
1 1 1 -22 2  14 o 92.39278 1.448951  85.03474       2.667073  80.90582       3.586337  90.14390       3.989397  -4.988052      2.897902  
1 1 1 -22 2  15 o 68.25291 1.137580  46.60415       1.552501  45.97445       2.167385  47.26770       2.224880  -0.9460754     2.275161  
1 1 1 -22 2  16 o 106.0082 1.636205  111.8252       3.451000  105.8510       4.606669  119.4657       5.209672  -6.400887      3.272410  
1 1 1 -22 2  17 f 70.17336 1.011044  49.41777       1.347910  49.73864       1.666708  48.81114       2.291641  0.6743622      2.022087  
1 1 1 -22 2  18 o 29.46134 0.6085611 8.597325       0.3562664 10.10297       0.5314165 7.368182       0.4801487 4.640612       1.217122  
1 1 1 -22 2  19 f 65.76140 0.7941957 42.64474       1.034489  39.06020       1.353425  47.68166       1.604351  -6.550488      1.588391  
1 1 1 -22 2  20 o 156.3236 1.660698  244.7924       5.191426  242.5996       7.270573  247.0732       7.415132  -1.425064      3.321397  
1 1 1 -22 2  21 o 74.38339 0.8683512 55.26532       1.290290  57.21944       1.881257  53.52957       1.773038  2.477898       1.736702  
1 1 1 -22 2  22 o 68.47850 0.8171667 46.90603       1.118966  46.34670       1.564593  47.49165       1.600947  -0.8351822     1.634333  
1 1 1 -22 2  23 o 59.94982 0.7520047 35.40049       0.8926760 39.89932       1.387051  32.21960       1.166317  6.400192       1.504009  
1 1 1 -22 2  24 o 68.07518 0.8161129 46.33840       1.110675  45.30968       1.543617  47.44272       1.599328  -1.565239      1.632226  
1 1 1 -22 2  25 f 40.13584 0.6318407 16.08737       0.5067552 15.33947       0.7003035 16.90947       0.7342188 -1.955151      1.263681  
1 1 1 -22 2  26 o 66.59680 0.8069584 44.35805       1.074435  45.13895       1.544636  43.62604       1.495514  1.134514       1.613917  
1 1 1 -22 2  27 f 64.58900 0.7909843 41.46536       1.017295  38.91637       1.362969  44.67142       1.528576  -4.450359      1.581969  
1 1 1 -22 2  28 o 7.873663 1.411594  0.6528265      0.2269199 0.4626135      0.3298503 0.8237358      0.3126652 -2.063416      2.823189  
1 1 1 -22 2  29 o 115.8891 1.264638  134.4953       2.929862  132.1721       4.071223  136.9910       4.219665  -2.070831      2.529276  
1 1 1 -22 2  30 o 80.82700 0.9366446 65.10313       1.509051  61.94402       2.035585  68.95769       2.248507  -4.329613      1.873289  
1 1 1 -22 2  31 o 114.5788 1.538063  131.8842       3.328007  132.2637       4.085825  131.1360       5.736670  0.6107941      3.076126  
1 1 1 -22 2  32 o 28.30197 0.8375948 8.517969       0.4410507 9.790953       0.5591382 6.421376       0.7175710 5.959263       1.675190  
1 1 1 -22 2  33 o 53.11785 1.024224  28.16929       1.086170  29.81391       1.594942  26.74688       1.483282  2.880920       2.048448  
1 1 1 -22 2  34 o 57.39926 1.066540  32.83158       1.220293  35.10077       1.818794  30.97382       1.645673  3.584801       2.133080  
1 1 1 -22 2  35 o 26.68370 0.9813705 7.113510       0.5208334 6.127599       0.7175410 8.211408       0.7571972 -3.902386      1.962741  
1 1 1 -22 2  36 o 69.92932 1.216392  48.96053       1.699641  50.72627       2.469847  47.37217       2.342514  2.388084       2.432783  
1 1 1 -22 2  37 o 16.17730 1.368427  2.655075       0.4254992 1.773090       0.5849034 3.646510       0.6201343 -5.787014      2.736854  
1 1 1 -22 2  38 f 42.95794 0.9025867 18.35913       0.7563784 19.04131       1.221883  17.93532       0.9630857 1.270744       1.805173  
1 1 1 -22 2  39 o 46.96427 0.8649463 22.64222       0.7785241 20.00861       1.257165  24.28044       0.9915250 -4.565807      1.729893  
1 1 1 -22 2  40 o 20.93434 0.9719859 4.150282       0.3806735 5.077506       0.6977317 3.757303       0.4542350 3.133101       1.943972  
1 1 1 -22 2  41 o 19.61106 0.8152534 3.852928       0.3176999 3.293226       0.4411928 4.455722       0.4578617 -2.962633      1.630507  
1 1 1 -22 2  42 o 44.61328 0.6984975 19.92566       0.6231132 20.20497       0.8924477 19.65999       0.8703962 0.6092033      1.396995  
1 1 1 -22 2  43 o 27.41933 0.7084259 7.515724       0.3881321 7.929955       0.5625485 7.139384       0.5362021 1.439659       1.416852  
1 1 1 -22 2  44 o 48.75385 0.7275636 23.80038       0.7092897 23.31614       0.9913489 24.30825       1.015252  -1.015507      1.455127  
1 1 1 -22 2  45 o 38.56986 0.6978281 14.87835       0.5378286 15.44755       0.7809097 14.36473       0.7418051 1.400398       1.395656  
1 1 1 -22 2  46 o 34.60693 0.7005901 11.99745       0.4848922 12.09400       0.6887764 11.90260       0.6827455 0.2759857      1.401180  
1 1 1 -22 2  47 f 13.68475 1.100716  1.883420       0.2999085 1.659925       0.4196527 2.116724       0.4287633 -1.667649      2.201431  
1 1 1 -22 2  48 f 38.52459 0.7244365 14.69518       0.5547730 12.91484       0.7407867 16.96886       0.8371577 -5.251663      1.448873  
1 1 1 -22 2  49 o 46.68854 0.7475417 21.82384       0.6976327 21.03137       0.9675956 22.68178       1.006773  -1.763172      1.495083  
1 1 1 -22 2  50 o 12.65372 1.290417  1.647241       0.3117095 2.068377       0.4481572 1.252586       0.4338390 3.376873       2.580833  
1 1 1 -22 2  51 o 37.43418 0.7471981 14.02113       0.5587946 14.77939       0.8132377 13.34291       0.7691167 1.912888       1.494396  
1 1 1 -22 2  52 o 24.08365 0.8567868 5.808606       0.4106207 5.041613       0.5665669 6.657239       0.5959581 -3.349760      1.713574  
1 1 1 -22 2  53 o 61.45675 0.8481220 37.91000       1.042409  37.52383       1.465875  38.30507       1.482644  -0.6329346     1.696244  
1 1 1 -22 2  54 f 6.464375 1.708455  0.2229013      0.3239146 0.6000037      0.4632896 -0.1377175     0.4530510 2.717496       3.416911  
1 1 1 -22 2  55 o 33.04563 0.8072724 10.96281       0.5334949 11.07377       0.7603138 10.85519       0.7487701 0.3286972      1.614545  
1 1 1 -22 2  56 o 21.86629 1.255487  4.792118       0.5437821 5.081587       0.8383218 4.581852       0.7144855 1.108419       2.510974  
1 1 1 -22 2  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 2  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 3  1  o 100.1390 1.275771  100.2251       2.551775  103.3339       3.724317  97.47432       3.503324  2.919350       2.551542  
1 1 1 -22 3  2  f 182.6789 2.735448  334.5795       9.976274  324.4497       13.63026  346.2674       14.64107  -5.910797      5.470896  
1 1 1 -22 3  3  o 108.3319 1.678060  117.3105       3.629479  113.6081       4.961022  121.5743       5.323883  -3.663795      3.356119  
1 1 1 -22 3  4  o 60.78500 0.7478983 36.58605       0.9032141 40.18191       1.377364  33.87322       1.196352  5.186550       1.495797  
1 1 1 -22 3  5  o 120.6540 1.300461  145.6559       3.137132  143.5475       4.371125  147.8955       4.505055  -1.798363      2.600922  
1 1 1 -22 3  6  o 135.3434 1.448023  183.2182       3.916602  187.5720       5.673977  179.2557       5.413054  3.064926       2.896047  
1 1 1 -22 3  7  o 127.7989 1.370625  163.4714       3.502929  162.1618       4.912014  164.8267       4.996855  -1.040375      2.741249  
1 1 1 -22 3  8  o 82.95276 0.9368967 68.83146       1.554167  69.59171       2.219469  68.10004       2.176996  0.8983536      1.873793  
1 1 1 -22 3  9  o 67.18915 0.9603544 45.65522       1.241035  43.33055       2.031585  47.03911       1.567497  -2.768044      1.920709  
1 1 1 -22 3  10 o 95.64664 1.486282  91.40038       2.838627  88.42078       3.884228  94.81587       4.158656  -3.335403      2.972564  
1 1 1 -22 3  11 o 99.42477 1.538729  98.69573       3.052935  94.99572       4.153598  103.0434       4.502480  -4.036934      3.077457  
1 1 1 -22 3  12 o 144.3504 2.170742  208.8976       6.266732  207.9089       8.818360  209.9065       8.907306  -0.6882019     4.341485  
1 1 1 -22 3  13 o 41.41740 0.7541929 16.06481       0.5720908 14.62254       0.6711063 19.89950       1.094296  -6.364159      1.508386  
1 1 1 -22 3  14 o 135.6235 1.564247  184.5385       4.214138  187.2770       5.663127  181.1404       6.308326  2.282822       3.128494  
1 1 1 -22 3  15 o 120.2148 1.298857  144.5043       3.120063  148.1967       4.528508  141.1677       4.304855  2.917412       2.597714  
1 1 1 -22 3  16 o 87.80766 0.9870590 76.81913       1.727882  81.11221       2.571037  73.28300       2.333398  4.453072       1.974118  
1 1 1 -22 3  17 o 114.1608 1.239476  130.3913       2.828931  132.6057       4.068330  128.3183       3.936359  1.874138       2.478952  
1 1 1 -22 3  18 o 50.80917 0.6792972 25.72833       0.6888232 27.29222       1.015451  24.39533       0.9374979 2.849541       1.358594  
1 1 1 -22 3  19 o 70.61069 0.8329706 49.75549       1.174240  47.87307       1.603509  51.93224       1.724318  -2.871925      1.665941  
1 1 1 -22 3  20 o 59.41174 0.7444969 34.52569       0.8720229 30.90923       1.123461  40.00670       1.383078  -7.651440      1.488994  
1 1 1 -22 3  21 o 106.9766 1.171788  114.4634       2.505448  112.0680       3.468636  117.0766       3.622871  -2.336143      2.343575  
1 1 1 -22 3  22 o 94.29974 1.053070  88.04350       1.969412  96.21992       3.031199  82.07073       2.590721  7.488914       2.106140  
1 1 1 -22 3  23 o 105.4664 1.159611  111.3090       2.445073  113.1965       3.516675  109.5427       3.401893  1.728119       2.319222  
1 1 1 -22 3  24 o 134.3735 1.443229  180.3196       3.868236  188.6247       5.727800  173.3555       5.245047  5.658936       2.886459  
1 1 1 -22 3  25 o 75.45100 0.8813655 56.91438       1.329026  58.37961       1.924636  55.57889       1.837447  1.853394       1.762731  
1 1 1 -22 3  26 o 106.1608 1.167658  112.5700       2.474416  108.5669       3.375219  117.2215       3.638276  -4.065491      2.335316  
1 1 1 -22 3  27 o 91.36917 1.028935  83.37233       1.876688  86.78126       2.758610  80.43540       2.560521  3.464912       2.057871  
1 1 1 -22 3  28 o 44.43310 0.6558691 19.67357       0.5816538 18.42302       0.7930186 21.12969       0.8557204 -3.044041      1.311738  
1 1 1 -22 3  29 f 82.25056 0.9484384 67.04601       1.548681  73.21323       2.371100  62.45765       2.045193  6.524475       1.896877  
1 1 1 -22 3  30 o 56.31990 0.7328989 31.72454       0.8253036 31.00450       1.150760  32.48713       1.184272  -1.315121      1.465798  
1 1 1 -22 3  31 o 86.64957 0.9889172 74.53677       1.702701  80.69395       2.592362  69.86516       2.258068  6.232635       1.977834  
1 1 1 -22 3  32 o 42.04649 0.6558783 17.68888       0.5515260 17.55011       0.7757900 17.83068       0.7842296 -0.3333549     1.311757  
1 1 1 -22 3  33 o 80.25349 0.9328979 64.28676       1.493829  67.35927       2.206336  61.68608       2.029866  3.525696       1.865796  
1 1 1 -22 3  34 o 41.89530 0.6537085 17.52949       0.5472026 16.72771       0.7542143 18.42061       0.7951283 -2.018921      1.307417  
1 1 1 -22 3  35 o 42.36879 0.6641517 17.92132       0.5620418 18.82566       0.8209894 17.12365       0.7710529 2.006573       1.328303  
1 1 1 -22 3  36 o 54.70060 0.7389218 29.85830       0.8069808 28.36019       1.102270  31.58877       1.184666  -2.947037      1.477844  
1 1 1 -22 3  37 o 61.85250 1.103019  38.32133       1.363920  37.37397       1.895711  39.33801       1.963842  -1.582409      2.206037  
1 1 1 -22 3  38 o 77.83598 1.004178  60.20224       1.531523  58.28583       1.962844  63.18465       2.448639  -3.111481      2.008355  
1 1 1 -22 3  39 o 57.31407 0.9433639 33.01078       1.018709  33.20101       1.248642  32.63210       1.761685  0.5349236      1.886728  
1 1 1 -22 3  40 o 76.95738 1.310914  59.45787       2.017343  60.22783       2.885695  58.72189       2.821303  0.9711456      2.621828  
1 1 1 -22 3  41 o 47.45847 0.9478332 22.79994       0.8894581 24.51839       1.201371  20.71529       1.323203  4.017605       1.895666  
1 1 1 -22 3  42 o 24.22812 1.122797  5.815700       0.5379303 7.204980       0.8080593 4.710021       0.7208795 5.138823       2.245593  
1 1 1 -22 3  43 o 17.63741 1.292066  3.078089       0.4498538 3.875891       0.6799874 2.457163       0.5998926 4.010955       2.584132  
1 1 1 -22 3  44 o 14.83631 1.578238  2.269675       0.4515160 1.896470       0.6427414 2.633280       0.6344200 -2.681339      3.156475  
1 1 1 -22 3  45 o 49.71111 1.056753  24.79712       1.050406  24.26819       1.466755  25.35398       1.504980  -1.087120      2.113505  
1 1 1 -22 3  46 o 27.28442 1.075706  7.477703       0.5865849 7.118827       0.8258574 7.843081       0.8333055 -1.326170      2.151412  
1 1 1 -22 3  47 o 46.03600 1.053727  21.27990       0.9700946 20.97394       1.360731  21.59613       1.383392  -0.6725082     2.107454  
1 1 1 -22 3  48 o 50.33131 1.094897  25.42983       1.101287  24.82633       1.521427  26.09408       1.596169  -1.247604      2.189795  
1 1 1 -22 3  49 o 41.50280 1.051121  17.25113       0.8710886 16.33224       1.191876  18.30475       1.276259  -2.363247      2.102243  
1 1 1 -22 3  50 o 40.22791 0.9765079 16.08366       0.7645692 16.98288       1.247458  15.54263       0.9676140 1.745415       1.953016  
1 1 1 -22 3  51 o 57.43747 1.010601  33.13853       1.091181  33.21616       1.901516  33.10041       1.332396  0.1113892E-02  2.021201  
1 1 1 -22 3  52 o 8.279090 2.037412  0.6183971      0.3928198 0.6447657      0.7030317 0.6064280      0.4736562 0.7885413      4.074823  
1 1 1 -22 3  53 o 18.95867 1.249444  3.580624       0.4398040 3.742836       0.7923839 3.508402       0.5287222 0.5564537      2.498887  
1 1 1 -22 3  54 o 32.25190 1.336902  11.03455       0.6668454 9.673101       1.501833  11.36888       0.7442335 -2.815487      2.673803  
1 1 1 -22 3  55 f 27.99645 1.255690  8.069267       0.5882171 7.632116       1.216785  8.202580       0.6719494 -1.163311      2.511379  
1 1 1 -22 3  56 o 14.60865 2.036283  2.205054       0.5663306 2.625410       0.8948820 1.924225       0.7314377 2.285849       4.072566  
1 1 1 -22 3  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 3  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 4  1  o 178.1838 1.879278  318.2378       6.697107  318.7651       9.488637  317.7144       9.453741  0.2933197      3.758557  
1 1 1 -22 4  2  f 26.81473 0.5693024 7.161314       0.3044119 6.441582       0.4168967 7.983328       0.4455357 -2.874439      1.138605  
1 1 1 -22 4  3  o 124.7787 1.340605  155.8730       3.345568  156.1003       4.738481  155.6470       4.724246  0.1811829      2.681209  
1 1 1 -22 4  4  f 47.37099 0.6387428 22.41166       0.6046187 21.65580       0.8337990 23.24985       0.8780348 -1.681896      1.277486  
1 1 1 -22 4  5  o 85.78864 0.9632000 73.47518       1.649873  76.34237       2.419314  70.98246       2.255804  3.120552       1.926400  
1 1 1 -22 4  6  o 81.29507 1.122422  65.87196       1.718765  66.92728       2.994716  65.35358       2.098864  0.9472046      2.244845  
1 1 1 -22 4  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 4  8  o 122.4180 1.855899  150.0742       4.541878  147.5246       6.310731  152.8140       6.541873  -2.151680      3.711797  
1 1 1 -22 4  9  o 89.57237 1.407956  79.54524       2.504577  74.15984       3.312599  86.73234       3.826801  -7.003456      2.815912  
1 1 1 -22 4  10 f 159.0828 2.074545  251.3144       6.136690  247.3316       7.391987  260.1464       11.00764  -3.878311      4.149091  
1 1 1 -22 4  11 f 93.14178 1.035128  86.73869       1.927029  85.00404       2.668236  88.62991       2.786041  -1.943932      2.070257  
1 1 1 -22 4  12 o 41.06722 0.6161183 16.56072       0.5011021 14.65996       0.6555315 19.23283       0.7772431 -5.565987      1.232237  
1 1 1 -22 4  13 f 147.4438 1.569690  217.7126       4.628763  218.3368       6.566215  217.0961       6.526087  0.4194031      3.139381  
1 1 1 -22 4  14 o 139.4710 1.490117  194.6894       4.154897  197.9791       5.978351  191.6158       5.778565  2.274826       2.980233  
1 1 1 -22 4  15 o 131.8649 1.414548  173.7302       3.724060  180.0752       5.464062  168.2261       5.089134  4.481216       2.829097  
1 1 1 -22 4  16 o 142.0371 1.515402  201.9757       4.303730  204.7385       6.172182  199.3613       6.004085  1.887131       3.030803  
1 1 1 -22 4  17 o 76.48474 0.8845608 58.52560       1.353058  58.92850       1.923651  58.13110       1.903534  0.5208664      1.769122  
1 1 1 -22 4  18 o 54.96436 0.7051592 30.21979       0.7751522 30.37855       1.101099  30.06379       1.091427  0.2861710      1.410318  
1 1 1 -22 4  19 o 137.9506 1.477365  189.8802       4.063486  182.0367       5.493608  199.3559       6.038193  -6.257202      2.954729  
1 1 1 -22 4  20 o 74.60561 0.8706335 55.67754       1.298845  54.99393       1.815865  56.39368       1.858566  -0.9371185     1.741267  
1 1 1 -22 4  21 o 70.90617 0.8395641 49.84225       1.182939  46.46339       1.568452  54.29987       1.801515  -5.520401      1.679128  
1 1 1 -22 4  22 o 74.64500 0.8719574 55.74151       1.301529  56.47371       1.861424  55.04112       1.820538  0.9585190      1.743915  
1 1 1 -22 4  23 f 156.5123 1.665629  245.1188       5.205706  253.4575       7.621440  237.8263       7.127334  4.967117       3.331258  
1 1 1 -22 4  24 o 119.6630 1.298093  143.3850       3.106087  141.7111       4.342021  145.1394       4.445134  -1.428040      2.596186  
1 1 1 -22 4  25 o 68.68128 0.8259962 46.98377       1.130911  49.83043       1.684057  44.64558       1.526260  3.770111       1.651992  
1 1 1 -22 4  26 o 147.1647 1.572253  217.1089       4.627323  215.6948       6.501079  218.5609       6.587829  -0.9688110     3.144507  
1 1 1 -22 4  27 o 61.43604 0.7675617 37.69492       0.9419173 39.20705       1.375149  36.35846       1.292805  2.315792       1.535123  
1 1 1 -22 4  28 o 145.4132 1.557652  211.6702       4.522741  219.0941       6.626187  205.1946       6.188468  4.749374       3.115305  
1 1 1 -22 4  29 o 90.39322 1.020843  81.79343       1.845101  82.90115       2.644588  80.74281       2.575518  1.190666       2.041687  
1 1 1 -22 4  30 f 98.64378 1.099677  96.79163       2.157773  103.6907       3.262555  91.42751       2.876818  6.195938       2.199355  
1 1 1 -22 4  31 o 62.74382 0.7822487 39.39806       0.9815348 39.65576       1.399357  39.14848       1.377110  0.4033813      1.564497  
1 1 1 -22 4  32 o 40.18795 0.6475906 15.92412       0.5166016 18.31338       0.7904597 14.14276       0.6825345 5.185219       1.295181  
1 1 1 -22 4  33 f 31.22587 0.6321978 9.749704       0.3945836 9.287487       0.5507563 10.23715       0.5655903 -1.520132      1.264396  
1 1 1 -22 4  34 o 41.41637 0.6583857 17.09047       0.5439816 18.22234       0.8050719 16.13955       0.7379196 2.511940       1.316771  
1 1 1 -22 4  35 o 20.03506 0.7414364 4.003881       0.2951554 4.684188       0.4309352 3.402734       0.4050884 3.196833       1.482873  
1 1 1 -22 4  36 f 10.93905 1.506874  1.260185       0.3193277 1.627381       0.4446577 0.8691352      0.4588730 3.597517       3.013748  
1 1 1 -22 4  37 o 39.22053 0.6630915 15.25586       0.5177166 17.00086       0.7782339 13.87052       0.6934095 3.986740       1.326183  
1 1 1 -22 4  38 o 46.88388 0.6959297 21.98239       0.6522254 21.30936       0.9051141 22.70936       0.9406861 -1.491177      1.391859  
1 1 1 -22 4  39 o 58.00706 0.7697412 33.60823       0.8914365 35.11127       1.308852  32.30776       1.217466  2.410702       1.539482  
1 1 1 -22 4  40 o 60.13294 1.029122  36.28923       1.212577  36.08583       1.914688  36.42543       1.566830  -0.3138618     2.058244  
1 1 1 -22 4  41 o 23.94778 0.7392656 5.631919       0.3481857 7.316325       0.5309294 4.360816       0.4612151 6.165733       1.478531  
1 1 1 -22 4  42 o 6.253929 1.576889  0.3103437      0.2588513 0.1200459      0.3668552 0.4990229      0.3652917 -1.723251      3.153777  
1 1 1 -22 4  43 o 26.18290 0.7246142 6.862892       0.3791892 6.512659       0.5301489 7.229737       0.5425761 -1.368385      1.449228  
1 1 1 -22 4  44 o 41.68286 0.7041305 17.32477       0.5856484 18.65997       0.8640615 16.19015       0.7965192 2.957066       1.408261  
1 1 1 -22 4  45 o 10.74627 1.376876  1.191099       0.2833555 1.668202       0.4152277 0.7752791      0.3876435 4.279805       2.753753  
1 1 1 -22 4  46 f 56.58283 0.7802711 32.05397       0.8822678 32.94028       1.279669  31.25097       1.218041  1.486336       1.560542  
1 1 1 -22 4  47 o 41.73009 0.7267333 17.44106       0.6063625 17.81906       0.8702202 17.08434       0.8453717 0.8778381      1.453467  
1 1 1 -22 4  48 o 66.04529 0.8574131 43.75202       1.132559  43.62945       1.601660  43.87460       1.601699  -0.1855850     1.714826  
1 1 1 -22 4  49 o 16.98487 1.014647  2.901170       0.3433188 3.230263       0.4895607 2.582707       0.4815897 1.905060       2.029294  
1 1 1 -22 4  50 o 48.23151 0.7601252 23.31350       0.7329884 22.82706       1.020372  23.83217       1.053632  -1.037708      1.520250  
1 1 1 -22 4  51 f 15.26261 1.159653  2.361150       0.3471605 1.804136       0.4830987 2.955950       0.4992160 -3.770087      2.319307  
1 1 1 -22 4  52 o 32.59637 0.8400474 10.62362       0.5419918 10.39685       0.7133904 10.93323       0.8335437 -0.8046799     1.680095  
1 1 1 -22 4  53 o 24.05049 0.9547067 5.774165       0.4546412 5.551939       0.5971401 6.080642       0.7012559 -1.079863      1.909413  
1 1 1 -22 4  54 o 18.64864 1.359379  3.476496       0.5037496 3.853299       0.7675089 3.191327       0.6676938 1.747419       2.718758  
1 1 1 -22 4  55 o 56.22375 1.221664  31.85794       1.369640  31.27067       1.859049  32.55515       2.025574  -1.096817      2.443329  
1 1 1 -22 4  56 o 50.52303 1.608965  25.73540       1.625795  25.73540       1.625795  ?              ?         ?              ?         
1 1 1 -22 4  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 4  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 5  1  o 36.69487 0.5746168 13.45478       0.4214985 13.97233       0.6072047 12.97348       0.5855619 1.360714       1.149234  
1 1 1 -22 5  2  o 18.96473 0.5865260 3.596566       0.2205591 4.255389       0.3192138 2.994714       0.3051001 3.323538       1.173052  
1 1 1 -22 5  3  o 109.3827 1.442090  120.5507       3.012481  117.2848       5.044444  122.3611       3.755736  -2.363220      2.884179  
1 1 1 -22 5  4  o 49.85857 0.8846328 24.55777       0.8750792 27.34757       1.345504  22.51270       1.152003  4.844669       1.769266  
1 1 1 -22 5  5  o 71.46376 1.151285  51.11304       1.645492  50.92430       2.321831  51.30350       2.332359  -0.2650375     2.302571  
1 1 1 -22 5  6  o 92.05521 1.429441  84.84361       2.631561  85.37000       3.748336  84.33198       3.695407  0.5621185      2.858882  
1 1 1 -22 5  7  f 74.96072 1.048025  55.95266       1.481319  55.40870       1.809945  57.05624       2.577992  -1.081520      2.096051  
1 1 1 -22 5  8  o 31.64042 0.5686426 10.01356       0.3597954 10.21836       0.5096221 9.810036       0.5080367 0.6452312      1.137285  
1 1 1 -22 5  9  o 126.3151 1.933357  159.7723       4.880434  156.3785       6.744236  163.5033       7.071328  -2.806534      3.866713  
1 1 1 -22 5  10 o 59.92760 0.7371249 35.90335       0.8831325 35.18211       1.228003  36.67596       1.270982  -1.245689      1.474250  
1 1 1 -22 5  11 o 98.92419 1.090567  97.60768       2.152037  93.71907       2.919109  102.2374       3.185144  -4.299126      2.181135  
1 1 1 -22 5  12 o 76.20702 0.8780122 57.99598       1.336368  56.18093       1.832566  60.05744       1.952996  -2.541069      1.756024  
1 1 1 -22 5  13 o 96.09947 1.063634  92.36307       2.043375  90.71746       2.838811  94.13239       2.943571  -1.774292      2.127269  
1 1 1 -22 5  14 o 90.69246 1.013673  82.28915       1.838376  83.20106       2.627474  81.41460       2.573091  0.9836426      2.027347  
1 1 1 -22 5  15 o 120.3294 1.300096  144.9514       3.128794  145.0596       4.426224  144.8434       4.423343  0.8977509E-01  2.600191  
1 1 1 -22 5  16 f 66.18200 0.7942071 43.70505       1.049428  45.70597       1.540376  41.97193       1.433599  2.819031       1.588414  
1 1 1 -22 5  17 o 97.02324 1.074809  93.87837       2.079985  98.54835       3.081507  89.96997       2.819068  4.413887       2.149619  
1 1 1 -22 5  18 o 103.9983 1.143824  108.0470       2.375468  104.6596       3.252631  111.9189       3.477466  -3.483536      2.287647  
1 1 1 -22 5  19 o 128.0742 1.378420  164.1738       3.529177  167.2100       5.084664  161.3514       4.902348  2.280380       2.756841  
1 1 1 -22 5  20 o 130.5475 1.403824  170.0214       3.653376  162.8338       4.933410  178.7495       5.436453  -6.075516      2.807648  
1 1 1 -22 5  21 o 76.77580 0.8915420 58.98471       1.368962  59.15941       1.941573  58.81200       1.930483  0.2259445      1.783084  
1 1 1 -22 5  22 o 65.80995 0.7960197 42.78703       1.038742  47.46438       1.601800  39.39258       1.364560  6.126587       1.592039  
1 1 1 -22 5  23 o 97.60551 1.085023  95.32874       2.117372  93.71407       2.948280  97.04856       3.042787  -1.704735      2.170046  
1 1 1 -22 5  24 o 152.1460 1.621556  232.0410       4.933722  230.1451       6.916143  234.0056       7.040182  -1.261826      3.243111  
1 1 1 -22 5  25 o 46.79007 0.6615420 21.76358       0.6168567 20.28314       0.8305672 23.58469       0.9211879 -3.525898      1.323084  
1 1 1 -22 5  26 o 94.40596 1.054856  89.09158       1.989286  86.47585       2.733147  92.03825       2.900892  -2.939034      2.109712  
1 1 1 -22 5  27 o 65.05640 0.7945286 42.35537       1.033771  42.47377       1.466348  42.23836       1.457636  0.1806259      1.589057  
1 1 1 -22 5  28 o 58.07421 0.7429577 33.67248       0.8618144 32.25056       1.182551  35.28310       1.258578  -2.608376      1.485915  
1 1 1 -22 5  29 o 73.63071 0.8714183 54.01262       1.278877  57.26768       1.906647  51.35046       1.724283  4.010818       1.742837  
1 1 1 -22 5  30 o 50.06351 0.6891706 25.08030       0.6900346 24.97067       0.9771482 25.18935       0.9745694 -0.2184944     1.378341  
1 1 1 -22 5  31 o 120.5542 1.312363  145.4758       3.160316  149.9559       4.608963  141.5001       4.341723  3.489021       2.624725  
1 1 1 -22 5  32 o 49.83502 0.6922471 24.78673       0.6889021 23.67257       0.9428221 26.06292       1.009057  -2.395798      1.384494  
1 1 1 -22 5  33 o 80.81204 0.9394973 65.38124       1.518181  66.15329       2.172004  64.64371       2.122903  0.9314423      1.878995  
1 1 1 -22 5  34 o 31.99841 0.6415771 10.20590       0.4097624 11.07553       0.6006568 9.448881       0.5604168 2.540228       1.283154  
1 1 1 -22 5  35 o 54.59943 0.7385693 29.83078       0.8063317 29.34139       1.125960  30.34598       1.155255  -0.9185219     1.477139  
1 1 1 -22 5  36 o 25.67182 0.6939407 6.515596       0.3534756 7.791086       0.5311465 5.501632       0.4735729 4.456280       1.387881  
1 1 1 -22 5  37 o 87.19817 1.004562  76.15466       1.751312  77.48755       2.517222  74.90421       2.438130  1.475624       2.009124  
1 1 1 -22 5  38 f 37.31292 0.6634082 13.88789       0.4942048 13.05185       0.6756539 14.84984       0.7247481 -2.406738      1.326816  
1 1 1 -22 5  39 o 92.26641 1.052565  85.34422       1.942070  86.11388       2.773638  84.60397       2.720146  0.8134613      2.105130  
1 1 1 -22 5  40 o 62.31630 0.8030381 38.89612       1.000747  39.04979       1.426604  38.74724       1.404202  0.2410965      1.606076  
1 1 1 -22 5  41 o 38.25992 0.6889801 14.52295       0.5246925 16.16809       0.7896512 13.22240       0.7020962 3.843422       1.377960  
1 1 1 -22 5  42 f 23.86049 0.7496731 5.694723       0.3551521 4.805913       0.4902718 6.676120       0.5151749 -3.917088      1.499346  
1 1 1 -22 5  43 o 52.75111 0.7514988 27.80042       0.7916855 26.45167       1.084532  29.33897       1.158334  -2.730507      1.502998  
1 1 1 -22 5  44 o 51.88391 0.7492575 26.96120       0.7773497 26.41096       1.087333  27.53643       1.111750  -1.082405      1.498515  
1 1 1 -22 5  45 o 64.95117 0.8375772 42.28084       1.087850  41.50140       1.521804  43.09535       1.555658  -1.223373      1.675154  
1 1 1 -22 5  46 o 10.55069 1.507840  1.168090       0.3067423 1.068194       0.4432744 1.259879       0.4249066 -0.9234991     3.015680  
1 1 1 -22 5  47 f 43.98619 0.7335337 19.33554       0.6443940 18.12585       0.8858554 20.69501       0.9390945 -2.914948      1.467067  
1 1 1 -22 5  48 o 36.00700 0.7299416 12.99914       0.5254348 12.66728       0.7470041 13.32410       0.7392111 -0.9129028     1.459883  
1 1 1 -22 5  49 o 60.47059 0.8220967 36.53455       0.9921188 34.53758       1.350147  38.87848       1.462743  -3.574833      1.644193  
1 1 1 -22 5  50 o 11.28219 1.486143  1.320109       0.3229985 1.832032       0.4710795 0.8659136      0.4437245 4.405545       2.972285  
1 1 1 -22 5  51 o 22.32254 0.8735282 4.999152       0.3896730 4.936415       0.5389380 5.067880       0.5640833 -0.2905903     1.747056  
1 1 1 -22 5  52 o 46.37684 0.7657236 21.54273       0.7097204 22.44247       1.027393  20.72148       0.9815674 1.849018       1.531447  
1 1 1 -22 5  53 o 8.568322 1.882051  0.7322934      0.3563688 0.8849807      0.5341819 0.6098374      0.4783852 1.328079       3.764101  
1 1 1 -22 5  54 o 33.65495 1.026070  11.32443       0.6806572 11.81455       1.066149  10.98722       0.8843340 1.190250       2.052140  
1 1 1 -22 5  55 o 49.20198 1.105641  24.37097       1.086980  24.89865       1.577881  23.89437       1.499553  1.001385       2.211283  
1 1 1 -22 5  56 o 34.76280 1.157943  12.21377       0.8033221 11.44340       1.145993  12.95801       1.126398  -2.183659      2.315886  
1 1 1 -22 5  57 o 32.39099 1.643643  0.000000       0.000000  ?              ?         10.59168       1.064784  ?              ?         
1 1 1 -22 5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 6  1  o 139.1874 2.963845  0.000000       0.000000  ?              ?         194.3887       8.250600  ?              ?         
1 1 1 -22 6  2  o 26.66626 0.6641013 7.073388       0.3531840 6.486101       0.4795992 7.769244       0.5220519 -2.405195      1.328203  
1 1 1 -22 6  3  o 47.69528 0.8492060 22.50174       0.8044423 24.96259       1.229410  20.65928       1.063785  4.507717       1.698412  
1 1 1 -22 6  4  o 85.52232 1.167095  72.43030       1.864619  71.07193       2.253520  75.37919       3.320334  -2.488235      2.334191  
1 1 1 -22 6  5  f 50.51514 0.6599430 24.86328       0.6563500 29.38176       1.047231  21.94011       0.8423143 7.362526       1.319886  
1 1 1 -22 6  6  o 14.78354 0.6694032 2.186674       0.1972421 1.953077       0.2754750 2.432415       0.2825444 -1.621076      1.338806  
1 1 1 -22 6  7  o 59.47954 0.7301716 34.93496       0.8613364 38.89203       1.327035  32.05430       1.132250  5.744659       1.460343  
1 1 1 -22 6  8  o 48.16812 0.6444180 23.20128       0.6206872 22.88336       0.8674068 23.53488       0.8885434 -0.6759834     1.288836  
1 1 1 -22 6  9  o 40.59781 0.5984630 16.35109       0.4837852 15.04875       0.6482638 17.98811       0.7268035 -3.619019      1.196926  
1 1 1 -22 6  10 o 81.53197 0.9273872 66.34695       1.509429  63.95949       2.060093  69.11432       2.217946  -3.157860      1.854774  
1 1 1 -22 6  11 o 102.9153 1.614288  105.8498       3.316489  102.3056       4.526795  109.9564       4.872736  -3.704102      3.228577  
1 1 1 -22 6  12 o 113.5849 1.233173  128.7486       2.794472  123.8551       3.794901  134.5454       4.130332  -4.696198      2.466346  
1 1 1 -22 6  13 o 47.29865 0.6484304 22.32800       0.6126372 21.38059       0.8412220 23.39799       0.8939827 -2.131802      1.296861  
1 1 1 -22 6  14 o 108.1604 1.180745  117.0761       2.553792  115.9429       3.573694  118.2586       3.650753  -1.068260      2.361490  
1 1 1 -22 6  15 o 88.09041 0.9903321 77.61911       1.744241  78.94270       2.504679  76.37281       2.430454  1.456848       1.980664  
1 1 1 -22 6  16 o 148.0966 1.578706  219.4743       4.671576  214.3873       6.440586  225.1218       6.786165  -3.610184      3.157413  
1 1 1 -22 6  17 f 41.87410 0.6211661 17.45298       0.5188326 18.77578       0.7685469 16.34535       0.7032707 2.900978       1.242332  
1 1 1 -22 6  18 o 65.82758 0.7920036 43.35025       1.042653  42.99548       1.464911  43.71450       1.484349  -0.5457077     1.584007  
1 1 1 -22 6  19 o 55.55356 0.7114418 30.76867       0.7888044 29.28959       1.073810  32.50228       1.162541  -2.889656      1.422884  
1 1 1 -22 6  20 o 96.48131 1.071120  93.16464       2.066584  94.09736       2.951877  92.26802       2.894161  0.9461136      2.142241  
1 1 1 -22 6  21 o 68.62590 0.8199252 46.77213       1.119644  50.54630       1.690418  43.82227       1.494459  4.893829       1.639850  
1 1 1 -22 6  22 o 65.05859 0.7899368 42.33516       1.027557  43.00048       1.474438  41.70685       1.432826  0.9931107      1.579874  
1 1 1 -22 6  23 o 10.92701 1.029084  1.237708       0.2084573 0.8020548      0.2897864 1.704892       0.3000897 -4.251930      2.058167  
1 1 1 -22 6  24 o 24.83810 0.6067606 6.165698       0.3012710 6.392699       0.4339204 5.954430       0.4186147 0.8819180      1.213521  
1 1 1 -22 6  25 o 68.55234 0.8209032 46.73040       1.120716  43.95399       1.502828  50.20893       1.682152  -4.556381      1.641806  
1 1 1 -22 6  26 o 16.73954 0.7319145 2.791023       0.2443925 3.083582       0.3587164 2.537594       0.3338664 1.630053       1.463829  
1 1 1 -22 6  27 f 83.89674 0.9588794 70.32755       1.606519  68.04199       2.200174  72.93782       2.351267  -2.911285      1.917759  
1 1 1 -22 6  28 f 17.10368 0.7348098 2.913859       0.2493850 3.463466       0.3657576 2.436367       0.3409184 3.001734       1.469620  
1 1 1 -22 6  29 f 44.90131 0.6562368 20.17004       0.5892494 20.36104       0.8410968 19.98595       0.8257638 0.4171906      1.312474  
1 1 1 -22 6  30 o 60.03355 0.7595401 36.02730       0.9112127 37.09172       1.321591  35.06276       1.258054  1.687405       1.519080  
1 1 1 -22 6  31 o 9.830759 1.182487  0.9790114      0.2271163 1.084426       0.3328814 0.8872060      0.3106516 1.145610       2.364974  
1 1 1 -22 6  32 o 42.97614 0.6585438 18.47815       0.5658935 17.90694       0.7946334 19.06593       0.8060780 -1.348000      1.317088  
1 1 1 -22 6  33 o 39.77654 0.6532673 15.76515       0.5184774 16.85028       0.7658334 14.84692       0.7044786 2.515961       1.306535  
1 1 1 -22 6  34 o 42.78191 0.6707805 18.30853       0.5737939 17.78355       0.8017170 18.85985       0.8215820 -1.257038      1.341561  
1 1 1 -22 6  35 o 11.54090 1.159727  1.401742       0.2502835 1.001984       0.3639943 1.760248       0.3447019 -3.430917      2.319454  
1 1 1 -22 6  36 o 44.24413 0.6790920 19.59282       0.6008913 19.34112       0.8475615 19.84718       0.8520333 -0.5716743     1.358184  
1 1 1 -22 6  37 o 57.21795 0.7595456 32.65049       0.8672852 30.85014       1.179779  34.76743       1.279311  -3.417385      1.519091  
1 1 1 -22 6  38 o 31.19902 0.6625056 9.739363       0.4131850 9.876860       0.5953972 9.611632       0.5738614 0.4238758      1.325011  
1 1 1 -22 6  39 f 56.20979 0.7567649 31.60513       0.8502311 30.62572       1.177559  32.67180       1.228900  -1.816624      1.513530  
1 1 1 -22 6  40 o 38.91677 0.6822408 15.16530       0.5309256 15.11906       0.7570799 15.21005       0.7447563 -0.1177216     1.364482  
1 1 1 -22 6  41 f 17.06698 0.9569593 2.996780       0.3137051 2.040591       0.4431587 3.957186       0.4441347 -5.614824      1.913919  
1 1 1 -22 6  42 o 44.85896 0.7077134 20.07945       0.6335096 21.25252       0.9352081 19.08471       0.8611968 2.410591       1.415427  
1 1 1 -22 6  43 o 60.48360 0.8000849 36.63675       0.9675342 35.70129       1.348179  37.63020       1.389350  -1.590748      1.600170  
1 1 1 -22 6  44 o 30.29594 0.7199901 9.176087       0.4348525 8.190120       0.6011603 10.25819       0.6297864 -3.410557      1.439980  
1 1 1 -22 6  45 o 23.31297 0.7986506 5.452427       0.3699256 4.660658       0.5149975 6.296419       0.5317104 -3.506502      1.597301  
1 1 1 -22 6  46 o 15.25031 1.041794  2.334981       0.3177008 2.360645       0.4543148 2.310421       0.4444413 0.1632643      2.083589  
1 1 1 -22 6  47 o 27.44412 0.7660831 7.560616       0.4197110 7.053827       0.5949788 8.062604       0.5921531 -1.838184      1.532166  
1 1 1 -22 6  48 f 13.70771 1.211154  1.923764       0.3242545 1.463136       0.4617666 2.371837       0.4554292 -3.315670      2.422307  
1 1 1 -22 6  49 o 25.84568 0.8045377 6.712525       0.4150891 6.383038       0.5951986 7.024513       0.5791784 -1.243074      1.609075  
1 1 1 -22 6  50 o 35.71678 0.7534714 12.79924       0.5375976 12.03707       0.7577648 13.57161       0.7628161 -2.147545      1.506943  
1 1 1 -22 6  51 o 11.35236 1.504833  1.331615       0.3304552 1.778731       0.4820671 0.9352670      0.4538746 3.859659       3.009665  
1 1 1 -22 6  52 o 17.67047 1.150950  3.239646       0.3942679 2.597269       0.5949251 3.742727       0.5264848 -3.255650      2.301900  
1 1 1 -22 6  53 o 47.53412 1.009759  22.57905       0.9437867 23.50638       1.489776  21.95738       1.219780  1.575073       2.019519  
1 1 1 -22 6  54 o 10.85255 2.079042  1.243088       0.4759319 0.8457761      0.6729558 1.640668       0.6731832 -3.142027      4.158084  
1 1 1 -22 6  55 o 41.57540 1.079478  17.40289       0.8966225 16.31080       1.253709  18.54628       1.282824  -2.681534      2.158957  
1 1 1 -22 6  56 o 27.82198 1.222219  7.816102       0.6780187 7.027762       0.9463055 8.647722       0.9719346 -2.903994      2.444438  
1 1 1 -22 6  57 o 21.82841 1.569542  5.019133       0.6590065 4.020323       1.014300  5.748758       0.8669112 -4.015814      3.139085  
1 1 1 -22 6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 7  1  f 33.14271 0.7611256 10.98712       0.5045153 10.98712       0.5045153 ?              ?         ?              ?         
1 1 1 -22 7  2  o 83.65492 1.365823  70.03808       2.284178  71.81305       3.289789  68.38589       3.173956  2.043785       2.731647  
1 1 1 -22 7  3  o 124.8394 1.916777  156.2684       4.785015  158.1051       6.841834  154.5098       6.694632  1.432083       3.833555  
1 1 1 -22 7  4  o 40.74091 0.9399619 16.20281       0.7564441 19.85295       1.179826  13.65501       0.9857020 7.601604       1.879924  
1 1 1 -22 7  5  o 95.96850 1.310779  92.13796       2.359678  92.44615       4.132011  91.98882       2.874503  0.1955719      2.621558  
1 1 1 -22 7  6  o 102.9706 1.126932  105.9319       2.317508  109.6360       3.388457  102.6762       3.176686  3.373352       2.253864  
1 1 1 -22 7  7  o 88.22006 0.9858497 77.87626       1.739349  78.44488       2.474802  77.32121       2.445089  0.6361160      1.971699  
1 1 1 -22 7  8  o 18.62568 0.5879458 3.471548       0.2189205 3.559558       0.3079356 3.381608       0.3112924 0.4777470      1.175892  
1 1 1 -22 7  9  o 119.8844 1.294013  143.8506       3.101935  145.7859       4.444346  142.0125       4.331430  1.570122       2.588025  
1 1 1 -22 7  10 o 79.43237 0.9078403 62.62516       1.433753  67.67616       2.175324  58.74564       1.906444  5.615349       1.815681  
1 1 1 -22 7  11 o 61.21609 0.7478977 37.36178       0.9134946 35.74094       1.240958  39.27890       1.349626  -2.887676      1.495795  
1 1 1 -22 7  12 o 40.20126 0.6089314 16.07101       0.4881505 14.82767       0.6611002 17.56161       0.7238587 -3.399345      1.217863  
1 1 1 -22 7  13 o 105.6472 1.157576  111.0867       2.435033  118.2419       3.657417  105.3898       3.263469  6.070686       2.315152  
1 1 1 -22 7  14 o 65.18839 0.7828447 42.51450       1.020639  42.42197       1.439865  42.60793       1.446964  -0.1424866     1.565689  
1 1 1 -22 7  15 o 76.80536 0.8871475 58.99699       1.362233  58.00797       1.895059  60.05446       1.959535  -1.330681      1.774295  
1 1 1 -22 7  16 f 38.97465 0.6022669 15.16697       0.4690281 14.50447       0.6469577 15.90093       0.6809593 -1.790909      1.204534  
1 1 1 -22 7  17 o 93.21485 1.038928  86.69203       1.932117  83.25282       2.623774  90.76640       2.855798  -4.023071      2.077857  
1 1 1 -22 7  18 o 46.54402 0.6501233 21.52489       0.6028532 23.37020       0.9022915 20.03688       0.8102436 3.578976       1.300247  
1 1 1 -22 7  19 o 106.0660 1.162940  112.5882       2.466100  114.4501       3.544769  110.8417       3.433096  1.696838       2.325880  
1 1 1 -22 7  20 o 46.63214 0.6540253 21.68886       0.6088863 22.84768       0.8943536 20.68771       0.8312911 2.314602       1.308051  
1 1 1 -22 7  21 o 99.77637 1.103328  99.66911       2.201722  99.67285       3.113875  99.66535       3.113535  0.3753662E-02  2.206657  
1 1 1 -22 7  22 o 54.55343 0.7066677 29.77138       0.7709608 29.47024       1.081925  30.08203       1.098880  -0.5603027     1.413335  
1 1 1 -22 7  23 o 48.81561 0.6678598 23.83921       0.6520164 24.01371       0.9268882 23.66827       0.9173663 0.3535881      1.335720  
1 1 1 -22 7  24 o 64.14840 0.7836167 41.03159       1.002950  39.15516       1.362118  43.25362       1.482255  -3.190731      1.567233  
1 1 1 -22 7  25 o 56.51386 0.7250171 31.95466       0.8194057 32.27647       1.167823  31.64260       1.150012  0.5602493      1.450034  
1 1 1 -22 7  26 o 58.88650 0.7473131 34.56652       0.8781101 32.77887       1.193340  36.67747       1.296768  -3.306801      1.494626  
1 1 1 -22 7  27 o 99.16846 1.102133  98.38992       2.184035  101.0032       3.169415  96.02693       3.013837  2.501083       2.204265  
1 1 1 -22 7  28 o 40.91904 0.6340237 16.69051       0.5177893 17.73322       0.7629759 15.80027       0.7049864 2.360161       1.268047  
1 1 1 -22 7  29 o 50.37411 0.6903297 25.35352       0.6947799 26.23274       1.010933  24.56650       0.9564622 1.651974       1.380659  
1 1 1 -22 7  30 o 96.78111 1.082978  93.81049       2.095873  94.84940       2.997726  92.81704       2.931410  1.046181       2.165955  
1 1 1 -22 7  31 o 40.53174 0.6466172 16.43144       0.5239875 15.83400       0.7332411 17.05497       0.7490731 -1.505630      1.293234  
1 1 1 -22 7  32 o 17.84680 0.7555823 3.177819       0.2692169 3.444170       0.3927489 2.941749       0.3697514 1.406607       1.511165  
1 1 1 -22 7  33 o 50.44618 0.9563434 25.42447       0.9635850 24.21284       1.321940  26.79803       1.407512  -2.557255      1.912687  
1 1 1 -22 7  34 f 16.97849 0.8339847 2.826784       0.2750405 3.943061       0.4208168 1.994334       0.3634011 5.735582       1.667969  
1 1 1 -22 7  35 o 37.60189 0.6547288 14.13874       0.4921333 14.53782       0.7098898 13.76947       0.6828601 1.020458       1.309458  
1 1 1 -22 7  36 f 59.65282 0.7737122 35.59071       0.9225252 34.54291       1.277801  36.73143       1.333261  -1.831230      1.547424  
1 1 1 -22 7  37 o 35.05355 0.6588147 12.30011       0.4617789 12.28168       0.6595877 12.31782       0.6467106 -0.5223083E-01 1.317629  
1 1 1 -22 7  38 o 50.61845 0.7191383 25.43826       0.7243747 27.82390       1.093554  23.57310       0.9669331 4.191040       1.438277  
1 1 1 -22 7  39 o 36.81125 0.6762424 13.57166       0.4975253 13.43028       0.7148628 13.70448       0.6928668 -0.3738289     1.352485  
1 1 1 -22 7  40 o 54.68793 0.7527753 29.83903       0.8213941 31.65369       1.213984  28.30683       1.115507  3.052364       1.505551  
1 1 1 -22 7  41 o 39.44990 0.6962814 15.53537       0.5484739 16.57193       0.8031071 14.62933       0.7508459 2.458263       1.392563  
1 1 1 -22 7  42 o 13.69343 1.167856  1.920343       0.2909864 2.884267       0.4333512 1.128854       0.3926818 6.535439       2.335713  
1 1 1 -22 7  43 o 54.49730 0.7635987 29.55440       0.8289432 32.05777       1.242229  27.54480       1.112995  4.128677       1.527197  
1 1 1 -22 7  44 o 12.63611 1.183561  1.599335       0.2976216 1.837282       0.4339924 1.388081       0.4089262 1.773639       2.367122  
1 1 1 -22 7  45 f 64.83433 0.8435690 41.99463       1.091329  44.39968       1.611616  39.95779       1.483124  3.410900       1.687138  
1 1 1 -22 7  46 o 10.33589 1.481361  1.110918       0.3002134 0.9244040      0.4329633 1.283632       0.4166388 -1.911967      2.962722  
1 1 1 -22 7  47 o 31.83096 0.7427948 10.08839       0.4713174 11.11197       0.7004529 9.241527       0.6371254 2.931211       1.485590  
1 1 1 -22 7  48 o 42.22106 0.7321887 17.87124       0.6181452 17.51109       0.8762808 18.22797       0.8721126 -0.8494263     1.464377  
1 1 1 -22 7  49 o 19.39221 0.9530286 3.764702       0.3687211 3.948570       0.5450397 3.609545       0.5006806 0.8668747      1.906057  
1 1 1 -22 7  50 o 40.50850 0.8912348 16.58708       0.6945649 16.05326       1.142038  16.90044       0.8749887 -1.087120      1.782470  
1 1 1 -22 7  51 o 25.58019 1.076724  6.585939       0.5497570 6.065611       0.7725449 7.119761       0.7824984 -2.058546      2.153447  
1 1 1 -22 7  52 o 14.25880 1.708446  2.113841       0.4670613 2.678381       0.6730215 1.589368       0.6486986 4.022003       3.416893  
1 1 1 -22 7  53 o 33.98350 1.027477  11.56707       0.6967535 12.61452       1.024014  10.66409       0.9507737 2.854374       2.054955  
1 1 1 -22 7  54 o 42.13558 1.062347  17.88006       0.8951594 17.52880       1.261718  18.23608       1.270218  -0.8372765     2.124695  
1 1 1 -22 7  55 o 21.32229 1.317906  4.599041       0.5609076 4.555322       0.8170948 4.638004       0.7713653 -0.2074203     2.635811  
1 1 1 -22 7  56 o 20.96933 1.307072  4.440521       0.5471746 4.079863       0.7578716 4.833222       0.7908233 -1.785902      2.614145  
1 1 1 -22 7  57 o 9.786943 2.205840  0.9343579      0.5083851 1.371454       0.7261582 0.5141615      0.7119816 3.099398       4.411680  
1 1 1 -22 7  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 8  1  o 97.20956 1.546763  94.25979       2.995920  89.85475       4.032048  99.68939       4.476457  -5.035797      3.093525  
1 1 1 -22 8  2  f 81.65427 1.345963  66.78445       2.198061  67.08043       3.109857  66.48898       3.107199  0.3620453      2.691927  
1 1 1 -22 8  3  o 24.98930 0.5115111 6.106828       0.2522995 4.954609       0.3317694 7.686992       0.3885256 -5.466198      1.023022  
1 1 1 -22 8  4  o 88.04003 0.9841254 77.57452       1.732820  77.43570       2.442630  77.71516       2.458603  -0.1582336     1.968251  
1 1 1 -22 8  5  o 107.0388 1.435183  116.1331       2.936841  119.6283       3.681267  110.0140       4.870797  4.541138       2.870367  
1 1 1 -22 8  6  o 104.7219 1.648233  109.8621       3.451101  111.9484       4.954847  107.8964       4.809583  1.927612       3.296466  
1 1 1 -22 8  7  o 139.4956 2.126243  195.2492       5.930478  192.9644       8.275006  197.6619       8.503588  -1.669739      4.252486  
1 1 1 -22 8  8  o 198.0780 2.713136  392.7099       10.44710  402.9797       16.99126  386.4677       13.24694  3.880280       5.426272  
1 1 1 -22 8  9  o 110.5919 1.494057  121.0764       3.053391  126.2998       5.550158  118.8093       3.656453  3.307480       2.988115  
1 1 1 -22 8  10 f 88.96339 0.9958424 79.02410       1.768833  82.22659       2.595213  76.24570       2.417272  3.356400       1.991685  
1 1 1 -22 8  11 f 14.03915 0.6720159 1.973999       0.1882757 1.817111       0.2655465 2.132588       0.2669834 -1.123535      1.344032  
1 1 1 -22 8  12 o 52.37492 0.6798416 27.34255       0.7105600 28.91935       1.048401  26.00284       0.9663713 2.782646       1.359683  
1 1 1 -22 8  13 o 86.90530 0.9775496 75.55542       1.698542  74.46046       2.366365  76.71912       2.439507  -1.297386      1.955099  
1 1 1 -22 8  14 o 83.03908 0.9436166 68.87083       1.564920  71.47646       2.288323  66.58160       2.144896  2.943237       1.887233  
1 1 1 -22 8  15 o 115.5089 1.254024  133.6039       2.896976  134.1424       4.110795  133.0726       4.083230  0.4620056      2.508049  
1 1 1 -22 8  16 o 33.55269 0.5896392 11.13660       0.3934608 12.59567       0.5948501 10.00173       0.5246190 3.864162       1.179278  
1 1 1 -22 8  17 o 101.0230 1.113588  102.0756       2.248248  99.81089       3.107349  104.5636       3.256928  -2.346848      2.227175  
1 1 1 -22 8  18 o 66.86560 0.8016966 44.73714       1.072118  44.73315       1.515434  44.74113       1.516974  -0.5928040E-02 1.603393  
1 1 1 -22 8  19 o 29.36621 0.5835884 8.567149       0.3414897 9.617984       0.5061292 7.689029       0.4626704 3.283451       1.167177  
1 1 1 -22 8  20 o 27.04537 0.5932400 7.318751       0.3208098 7.167228       0.4551262 7.468381       0.4522745 -0.5568142     1.186480  
1 1 1 -22 8  21 o 118.5914 1.286713  140.5611       3.046391  145.9123       4.472302  135.9289       4.161017  4.194756       2.573426  
1 1 1 -22 8  22 o 77.06368 0.8942227 59.42506       1.377974  58.72161       1.925938  60.16284       1.972390  -0.9334869     1.788445  
1 1 1 -22 8  23 o 49.94805 0.6783409 24.95308       0.6774550 25.31559       0.9717206 24.61025       0.9449713 0.7053146      1.356682  
1 1 1 -22 8  24 o 45.04008 0.6523262 20.27596       0.5872883 20.93838       0.8479768 19.66532       0.8141571 1.412277       1.304652  
1 1 1 -22 8  25 o 104.7342 1.155928  109.7037       2.418268  106.5647       3.321134  113.2461       3.528142  -3.178879      2.311857  
1 1 1 -22 8  26 o 79.95613 0.9253263 63.71138       1.474804  67.44949       2.196834  60.64445       1.989866  4.246590       1.850653  
1 1 1 -22 8  27 f 67.68027 0.8188662 45.73060       1.106432  43.98905       1.510676  47.74582       1.625040  -2.770851      1.637732  
1 1 1 -22 8  28 o 42.59465 0.6456583 18.03703       0.5480575 19.56991       0.8184810 16.79111       0.7379069 3.259274       1.291317  
1 1 1 -22 8  29 o 69.15366 0.8357868 47.87258       1.155951  47.81047       1.636034  47.93450       1.633492  -0.8979797E-01 1.671574  
1 1 1 -22 8  30 o 60.75021 0.7690923 36.85867       0.9330372 38.36274       1.366027  35.54332       1.277449  2.316788       1.538185  
1 1 1 -22 8  31 o 44.77713 0.6682214 20.03543       0.5978814 20.73077       0.8683836 19.40875       0.8243943 1.474556       1.336443  
1 1 1 -22 8  32 o 27.23844 0.8278484 7.423661       0.4508464 7.626072       0.6472515 7.232898       0.6283545 0.7207623      1.655697  
1 1 1 -22 8  33 f 89.24069 1.018842  79.66007       1.816002  82.36050       2.652474  77.27746       2.491506  2.836739       2.037683  
1 1 1 -22 8  34 o 45.40421 0.6816880 20.40906       0.6150991 22.67048       0.9366400 18.69424       0.8156246 4.372925       1.363376  
1 1 1 -22 8  35 o 16.78476 0.8165092 2.782443       0.2704546 3.508550       0.4070356 2.208463       0.3618929 3.870187       1.633018  
1 1 1 -22 8  36 o 67.80518 0.8378034 46.04724       1.136127  45.65425       1.602946  46.44396       1.610533  -0.5818253     1.675607  
1 1 1 -22 8  37 o 49.02065 0.7069078 24.00614       0.6921398 25.07252       1.011270  23.06638       0.9493309 2.042519       1.413816  
1 1 1 -22 8  38 o 29.80294 0.6764611 8.887423       0.4028916 8.401751       0.5629483 9.397388       0.5768558 -1.669514      1.352922  
1 1 1 -22 8  39 o 79.52335 0.9430067 63.26606       1.497493  65.69910       2.193064  61.14065       2.049743  2.852531       1.886013  
1 1 1 -22 8  40 o 6.906325 1.588822  0.4492470      0.2623202 0.2432135      0.3792534 0.6382275      0.3632194 -1.898060      3.177643  
1 1 1 -22 8  41 o 63.12390 0.8171539 39.87593       1.030879  38.55452       1.424877  41.32727       1.493293  -2.190136      1.634308  
1 1 1 -22 8  42 o 26.35899 0.7356946 6.968083       0.3873921 6.743027       0.5553974 7.181314       0.5406121 -0.8326588     1.471389  
1 1 1 -22 8  43 o 37.07766 0.7033780 13.77609       0.5212060 13.64925       0.7497476 13.89471       0.7250651 -0.3331757     1.406756  
1 1 1 -22 8  44 o 64.75452 1.017716  40.91044       1.215833  45.15526       2.244299  39.14716       1.446483  4.531731       2.035432  
1 1 1 -22 8  45 o 44.45263 0.8654883 19.53787       0.7346410 20.74733       1.256717  18.91002       0.9054638 2.025246       1.730977  
1 1 1 -22 8  46 o 29.87803 0.9570587 8.955521       0.5717204 8.765277       0.7964067 9.157810       0.8212344 -0.6534500     1.914117  
1 1 1 -22 8  47 o 42.71942 0.9831036 18.29150       0.8390089 18.98110       1.222465  17.67741       1.153603  1.515850       1.966207  
1 1 1 -22 8  48 o 23.52920 1.073515  5.561833       0.5049964 5.750482       0.7251064 5.384148       0.7037193 0.7747040      2.147031  
1 1 1 -22 8  49 f 49.35742 1.031926  24.49197       1.018532  24.39235       1.450451  24.58888       1.430598  -0.2026863     2.063852  
1 1 1 -22 8  50 o 37.40570 0.8690125 13.93216       0.6328123 13.56951       0.8024333 14.52869       1.029155  -1.247345      1.738025  
1 1 1 -22 8  51 o 30.00756 0.8520931 9.040591       0.5073147 9.028770       0.7670295 9.049782       0.6763909 -0.4949188E-01 1.704186  
1 1 1 -22 8  52 o 30.31764 1.063250  9.241773       0.6442898 8.793567       0.8975328 9.718279       0.9254345 -1.519129      2.126499  
1 1 1 -22 8  53 o 34.60852 1.048192  12.05793       0.7250898 12.06722       1.043845  12.04927       1.007960  0.1778412E-01  2.096383  
1 1 1 -22 8  54 o 9.794622 2.037885  0.9956530      0.4369928 1.276222       0.6105308 0.7009195      0.6257526 2.322107       4.075770  
1 1 1 -22 8  55 o 65.32545 1.231253  43.09554       1.608458  43.25198       2.293919  42.94424       2.255962  0.2247238      2.462506  
1 1 1 -22 8  56 o 7.406734 2.072940  0.2348932      0.4783447 -0.1622592     0.6745822 0.6365506      0.6783972 -2.249126      4.145881  
1 1 1 -22 8  57 o 50.77348 2.401110  0.000000       0.000000  ?              ?         26.29404       2.438254  ?              ?         
1 1 1 -22 9  1  o 73.21346 1.243813  53.66412       1.820716  52.96177       2.537511  54.40944       2.613952  -0.9853745     2.487627  
1 1 1 -22 9  2  o 96.27571 1.536433  92.50423       2.948106  88.45332       3.974898  97.45718       4.395218  -4.654129      3.072867  
1 1 1 -22 9  3  o 86.18658 1.406107  74.26527       2.419744  71.87442       3.309366  77.01188       3.547055  -2.969193      2.812215  
1 1 1 -22 9  4  o 114.0531 1.777813  130.4585       4.054908  129.8082       5.689210  131.1298       5.780902  -0.5739136     3.555627  
1 1 1 -22 9  5  o 110.8793 1.493847  123.8722       3.131363  125.2997       3.857050  121.1122       5.363211  1.961243       2.987693  
1 1 1 -22 9  6  o 189.5703 2.001390  360.6145       7.586636  356.6994       10.60570  364.7173       10.85696  -2.098358      4.002779  
1 1 1 -22 9  7  o 115.9179 1.255807  134.5209       2.910665  132.7884       4.061414  136.3503       4.173477  -1.531837      2.511613  
1 1 1 -22 9  8  f 80.16118 0.9140402 64.08133       1.461483  61.40957       1.981146  67.27119       2.164733  -3.650742      1.828080  
1 1 1 -22 9  9  o 241.8421 3.122228  590.9564       14.25662  592.8499       17.50651  587.2285       24.56520  1.857788       6.244456  
1 1 1 -22 9  10 o 133.5898 2.048069  178.5123       5.457064  187.3279       8.086136  171.1393       7.395000  6.013657       4.096138  
1 1 1 -22 9  11 o 142.4220 2.170424  203.5417       6.178277  208.1802       8.934337  199.2907       8.552943  3.094116       4.340849  
1 1 1 -22 9  12 o 53.69595 1.034575  28.86095       1.111031  29.07990       1.572508  28.64270       1.569966  0.4070206      2.069150  
1 1 1 -22 9  13 o 78.48776 1.131868  59.97389       1.606597  65.65652       3.065841  57.82264       1.886344  4.947372       2.263735  
1 1 1 -22 9  14 o 102.3183 1.220075  104.9317       2.473028  104.1337       3.758158  105.5412       3.284319  -0.7068863     2.440151  
1 1 1 -22 9  15 o 60.27899 0.7455853 36.35292       0.8988362 36.57875       1.277152  36.13129       1.265224  0.3708611      1.491171  
1 1 1 -22 9  16 o 38.17278 0.5999652 14.57522       0.4580239 14.39269       0.6442708 14.76174       0.6512732 -0.4832497     1.199930  
1 1 1 -22 9  17 o 43.86373 0.6328408 19.21038       0.5545830 20.07404       0.8073511 18.43878       0.7631146 1.863060       1.265682  
1 1 1 -22 9  18 o 70.89182 0.8383394 50.07800       1.185082  47.68005       1.602456  52.97261       1.760603  -3.728195      1.676679  
1 1 1 -22 9  19 o 52.95780 0.6939779 28.05151       0.7348787 28.42216       1.052314  27.69866       1.026710  0.6824455      1.387956  
1 1 1 -22 9  20 o 57.86760 0.7311595 33.10889       0.8398489 30.42221       1.107850  36.73933       1.287813  -5.453129      1.462319  
1 1 1 -22 9  21 f 39.53224 0.6193289 15.62897       0.4895616 15.92552       0.7013880 15.34725       0.6836424 0.7309341      1.238658  
1 1 1 -22 9  22 o 67.77907 0.8151411 45.96527       1.104806  45.30997       1.545248  46.65056       1.580201  -0.9876938     1.630282  
1 1 1 -22 9  23 o 19.89776 0.6487971 3.961016       0.2581742 4.027608       0.3667427 3.895593       0.3635059 0.3316364      1.297594  
1 1 1 -22 9  24 f 124.4871 1.348332  154.9896       3.350932  149.9325       4.576572  160.8340       4.919899  -4.357361      2.696664  
1 1 1 -22 9  25 o 76.19290 0.8918260 57.94736       1.356279  60.67710       1.996670  55.60880       1.848073  3.319702       1.783652  
1 1 1 -22 9  26 o 64.08384 0.7889870 40.88074       1.007573  38.62160       1.356423  43.66180       1.504975  -3.926727      1.577974  
1 1 1 -22 9  27 o 67.88352 0.8214439 46.11628       1.115065  45.55986       1.559748  46.69794       1.594713  -0.8367767     1.642888  
1 1 1 -22 9  28 o 100.6786 1.120013  101.3777       2.252187  98.34884       3.089740  104.8116       3.289812  -3.197601      2.240026  
1 1 1 -22 9  29 o 17.65626 0.7641769 3.124354       0.2664044 2.499038       0.3683383 3.810263       0.3857716 -3.712480      1.528354  
1 1 1 -22 9  30 o 134.2961 1.450445  180.9643       3.895673  181.7146       5.534105  180.2272       5.484851  0.5496674      2.900891  
1 1 1 -22 9  31 o 51.46002 0.7706934 26.53862       0.7863820 26.27899       1.189797  26.74001       1.047894  -0.4547234     1.541387  
1 1 1 -22 9  32 o 112.3788 1.237267  126.5832       2.779397  129.0689       4.009387  124.2836       3.856398  2.116096       2.474535  
1 1 1 -22 9  33 o 60.87131 0.7784187 36.99403       0.9457160 38.65374       1.392661  35.57372       1.288314  2.524254       1.556837  
1 1 1 -22 9  34 o 96.97102 1.092690  93.98742       2.114284  98.13704       3.120472  90.46564       2.874722  3.936195       2.185380  
1 1 1 -22 9  35 o 31.83601 0.6528984 10.14518       0.4150634 9.404157       0.5816741 10.91391       0.5924508 -2.370583      1.305797  
1 1 1 -22 9  36 o 25.84250 0.6889138 6.559060       0.3520718 8.110815       0.5382212 5.398436       0.4654732 5.243698       1.377828  
1 1 1 -22 9  37 o 28.93146 0.6802521 8.387294       0.3932718 8.126941       0.5619406 8.637221       0.5505742 -0.8825741     1.360504  
1 1 1 -22 9  38 o 50.32914 0.7240305 25.15125       0.7251397 27.54650       1.094639  23.27815       0.9680029 4.231365       1.448061  
1 1 1 -22 9  39 o 64.77986 0.9939723 42.10348       1.223255  42.03330       2.085025  42.14031       1.510538  -0.1415024     1.987945  
1 1 1 -22 9  40 o 78.39159 1.133455  61.90680       1.693168  60.98572       2.857360  62.40525       2.101947  -0.9967804     2.266909  
1 1 1 -22 9  41 o 9.233436 1.738839  0.9003410      0.3300081 1.047280       0.4469110 0.7241497      0.4893787 1.522118       3.477678  
1 1 1 -22 9  42 o 54.10730 1.029828  29.38078       1.114344  28.90966       1.566864  29.86296       1.585137  -0.8786087     2.059657  
1 1 1 -22 9  43 o 33.16946 0.9177954 11.03566       0.6086546 10.65223       0.8559465 11.42785       0.8656709 -1.168011      1.835591  
1 1 1 -22 9  44 o 39.52240 0.9352067 15.51126       0.7352807 13.69062       0.9863244 17.78871       1.103142  -5.169655      1.870413  
1 1 1 -22 9  45 o 29.74376 0.8523129 9.051516       0.4959489 10.05294       0.6614316 7.765445       0.7495619 3.855850       1.704626  
1 1 1 -22 9  46 o 54.60607 0.7838580 29.89224       0.8559783 30.02110       1.220510  29.76750       1.200803  0.2299500      1.567716  
1 1 1 -22 9  47 o 26.81364 0.7895964 7.218544       0.4227872 7.012993       0.6096469 7.408997       0.5868286 -0.7412682     1.579193  
1 1 1 -22 9  48 o 26.64830 0.7900249 7.111593       0.4203941 7.317775       0.6152382 6.931013       0.5757759 0.7202702      1.580050  
1 1 1 -22 9  49 o 10.31020 1.559612  1.093105       0.3240629 1.652009       0.4755706 0.6086311      0.4427733 4.975729       3.119224  
1 1 1 -22 9  50 f 27.15697 0.8471918 7.374686       0.4572113 7.638150       0.6916222 7.170171       0.6093524 0.8489323      1.694384  
1 1 1 -22 9  51 o 18.77303 1.226374  3.694774       0.4373028 2.425231       0.6276066 4.892759       0.6096627 -6.576116      2.452749  
1 1 1 -22 9  52 o 34.06773 1.011616  11.65020       0.6884183 12.47064       0.9978956 10.90515       0.9509418 2.287903       2.023231  
1 1 1 -22 9  53 o 22.03266 1.230746  4.884034       0.5393267 5.645821       0.7865167 4.207928       0.7409661 3.250631       2.461493  
1 1 1 -22 9  54 o 22.99712 1.226899  5.338387       0.5641404 5.162320       0.7924650 5.519289       0.8032748 -0.7731361     2.453797  
1 1 1 -22 9  55 o 26.79106 1.161654  7.248005       0.6219986 7.113348       0.8913056 7.375836       0.8684188 -0.4963226     2.323309  
1 1 1 -22 9  56 o 62.64622 1.217859  39.65060       1.525838  39.21800       2.150990  40.08878       2.164799  -0.6908417     2.435718  
1 1 1 -22 9  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 10 1  o 68.73002 1.205346  47.20374       1.654653  49.49590       2.417664  45.18404       2.269430  3.129700       2.410692  
1 1 1 -22 10 2  o 63.51126 1.151696  40.02365       1.455348  44.13459       2.198960  36.81942       1.941370  5.747704       2.303392  
1 1 1 -22 10 3  o 75.94867 1.289999  57.62426       1.955124  55.57480       2.660625  60.02999       2.882625  -2.922600      2.579998  
1 1 1 -22 10 4  o 47.66962 1.001681  22.73153       0.9545842 23.67641       1.368340  21.83571       1.332351  1.929413       2.003362  
1 1 1 -22 10 5  o 62.43514 1.140060  38.53614       1.411067  35.51956       1.852162  42.70895       2.178395  -5.744534      2.280120  
1 1 1 -22 10 6  o 96.44455 1.545190  93.20823       2.979733  92.25670       4.158783  94.21203       4.271432  -1.007713      3.090380  
1 1 1 -22 10 7  o 104.0572 1.142495  107.4469       2.360673  100.8473       3.121940  116.2588       3.607431  -7.386314      2.284991  
1 1 1 -22 10 8  o 116.1525 1.259214  135.0282       2.923625  137.7825       4.219279  132.4843       4.054881  2.273659       2.518428  
1 1 1 -22 10 9  o 78.66061 0.9018338 61.79092       1.416536  59.69812       1.938396  64.18945       2.075158  -2.850677      1.803668  
1 1 1 -22 10 10 o 109.8049 1.197434  120.6442       2.628125  123.3306       3.796496  118.1724       3.641790  2.342461       2.394868  
1 1 1 -22 10 11 o 96.19377 1.066165  92.48815       2.048679  95.46709       2.987481  89.84370       2.814766  2.916656       2.132330  
1 1 1 -22 10 12 o 42.37560 0.6157390 17.96368       0.5218400 17.92348       0.7392871 18.00360       0.7367059 -0.9459686E-01 1.231478  
1 1 1 -22 10 13 o 48.50141 0.8483931 23.98941       0.7630817 24.79329       0.9287845 22.31972       1.338561  2.561722       1.696786  
1 1 1 -22 10 14 o 94.44722 1.296946  90.51768       2.344804  93.60175       2.947134  85.19798       3.870631  4.490242       2.593891  
1 1 1 -22 10 15 o 123.6105 1.911555  153.3058       4.724199  151.3103       6.580973  155.4275       6.785786  -1.651352      3.823110  
1 1 1 -22 10 16 o 32.29358 0.9675220 10.31218       0.6210816 9.120022       0.8278674 11.84701       0.9393393 -4.218178      1.935044  
1 1 1 -22 10 17 o 91.42039 1.481097  83.58035       2.702761  80.80686       3.686640  86.80320       3.974090  -3.263023      2.962195  
1 1 1 -22 10 18 o 59.36568 0.9496142 33.38541       0.9892832 39.26029       2.012400  31.51322       1.136030  6.491302       1.899228  
1 1 1 -22 10 19 o 103.5499 1.235056  107.7518       2.545524  103.6272       3.746558  111.2884       3.469244  -3.713905      2.470111  
1 1 1 -22 10 20 o 20.44450 0.6320757 4.176426       0.2582396 4.313979       0.3745551 4.051799       0.3565235 0.6406937      1.264151  
1 1 1 -22 10 21 o 77.02388 0.8957254 59.11008       1.375270  56.17364       1.855399  62.69062       2.048804  -4.222694      1.791451  
1 1 1 -22 10 22 o 66.74598 0.8074992 44.57008       1.077656  45.32680       1.546068  43.85501       1.502920  1.100922       1.614998  
1 1 1 -22 10 23 o 70.20756 0.8370335 48.98616       1.169471  46.02208       1.561990  52.76722       1.764167  -4.795761      1.674067  
1 1 1 -22 10 24 o 54.45211 0.7142944 29.65030       0.7775735 30.38839       1.119592  28.96252       1.080746  1.307934       1.428589  
1 1 1 -22 10 25 f 32.14914 0.6162384 10.17293       0.3926526 8.583399       0.5209981 12.26282       0.5973987 -5.720041      1.232477  
1 1 1 -22 10 26 o 111.3057 1.221442  124.1635       2.719031  123.7647       3.832978  124.5674       3.857722  -0.3589783     2.442885  
1 1 1 -22 10 27 o 9.750698 1.184320  1.009876       0.2161018 0.5864696      0.3046312 1.438791       0.3066065 -4.473514      2.368640  
1 1 1 -22 10 28 o 87.25100 0.9956545 75.95048       1.732462  72.56517       2.345022  80.01851       2.570634  -4.258698      1.991309  
1 1 1 -22 10 29 o 59.95141 1.039012  35.99832       1.245644  35.52691       1.744537  36.48864       1.779189  -0.7999802     2.078025  
1 1 1 -22 10 30 o 23.28398 0.6801540 5.290567       0.3111288 6.945007       0.4802627 4.094077       0.4084210 6.118980       1.360308  
1 1 1 -22 10 31 o 91.84279 1.042140  84.52978       1.914239  84.26184       2.699325  84.80085       2.715028  -0.2922974     2.084280  
1 1 1 -22 10 32 f 7.611416 1.409932  0.5952740      0.2214359 0.7838044      0.3208846 0.4238696      0.3059633 2.112186       2.819865  
1 1 1 -22 10 33 o 53.22590 0.7269323 28.29350       0.7724028 29.42080       1.134717  27.32016       1.054386  1.969078       1.453865  
1 1 1 -22 10 34 o 60.50530 0.7809219 36.41191       0.9412932 33.93872       1.264556  39.48501       1.409605  -4.574253      1.561844  
1 1 1 -22 10 35 o 81.80127 1.162296  66.68532       1.788013  68.43432       3.132060  65.83975       2.177749  1.493538       2.324591  
1 1 1 -22 10 36 o 85.65144 1.381400  73.64954       2.364843  71.91331       3.273445  75.54488       3.420164  -2.101738      2.762800  
1 1 1 -22 10 37 o 105.9880 1.657980  113.0699       3.511395  116.0534       5.096855  110.3745       4.844475  2.637756       3.315961  
1 1 1 -22 10 38 o 31.04144 0.8737351 9.646521       0.5419150 9.067547       0.7537959 10.26585       0.7796236 -1.927811      1.747470  
1 1 1 -22 10 39 o 53.12764 1.009143  28.22234       1.070061  29.69658       1.576313  26.96235       1.457275  2.560341       2.018285  
1 1 1 -22 10 40 o 57.63302 0.9346581 33.00440       1.026195  32.32939       1.264643  34.30572       1.755919  -1.662342      1.869316  
1 1 1 -22 10 41 f 61.51453 0.8121809 37.91217       0.9989548 38.53185       1.432929  37.32623       1.393372  0.9760246      1.624362  
1 1 1 -22 10 42 o 46.50519 0.7357083 21.56063       0.6825473 19.94742       0.9276461 23.46493       1.007872  -3.774143      1.471417  
1 1 1 -22 10 43 o 13.76430 1.095180  1.902416       0.3001293 1.912270       0.4466366 1.894303       0.4052668 0.5912876E-01  2.190359  
1 1 1 -22 10 44 f 15.51724 1.024410  2.430185       0.3159733 2.279313       0.4642255 2.560413       0.4312966 -0.9104719     2.048821  
1 1 1 -22 10 45 o 22.63453 0.8102742 5.120719       0.3662118 5.459349       0.5362212 4.824713       0.5013399 1.397791       1.620548  
1 1 1 -22 10 46 o 30.25439 0.7469464 9.156610       0.4514422 9.567063       0.6581337 8.791866       0.6204068 1.276823       1.493893  
1 1 1 -22 10 47 o 15.33406 1.106057  2.379117       0.3370977 2.189871       0.4916265 2.547045       0.4631069 -1.169976      2.212113  
1 1 1 -22 10 48 o 28.97049 0.7809411 8.407699       0.4519916 8.636885       0.6578409 8.202752       0.6220822 0.7443447      1.561882  
1 1 1 -22 10 49 o 31.39862 0.8137228 9.875963       0.5061060 10.00485       0.7732281 9.779359       0.6694255 0.3439980      1.627446  
1 1 1 -22 10 50 o 14.93988 1.402892  2.125321       0.4057923 3.067106       0.6657098 1.568481       0.5118874 4.974373       2.805785  
1 1 1 -22 10 51 o 17.81002 1.335901  3.233915       0.4615946 4.264893       0.6681163 2.292377       0.6384784 5.529964       2.671803  
1 1 1 -22 10 52 o 6.196862 1.878885  -0.3018636E-01 0.4199916 0.1048231      0.5827943 -0.1760595     0.6057883 0.5921683      3.757770  
1 1 1 -22 10 53 o 62.88720 1.183546  39.88614       1.488451  39.25068       2.088122  40.54255       2.122268  -1.018204      2.367091  
1 1 1 -22 10 54 o 41.61967 1.395864  16.96156       1.035370  18.84659       2.027394  16.29648       1.204248  2.799240       2.791728  
1 1 1 -22 10 55 o 22.21395 1.446688  5.182109       0.6195210 4.092373       0.9423538 6.011597       0.8221633 -4.362478      2.893376  
1 1 1 -22 10 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 11 1  o 24.80421 1.063765  6.147933       0.5270824 5.767540       0.7275821 6.568031       0.7646101 -1.611858      2.127530  
1 1 1 -22 11 2  o 141.6170 2.169377  201.7245       6.144199  201.1033       8.647821  202.3578       8.731199  -0.4349365     4.338753  
1 1 1 -22 11 3  o 49.33270 1.028896  24.34639       1.014689  25.31031       1.459572  23.44478       1.411605  1.888626       2.057793  
1 1 1 -22 11 4  f 75.43367 1.282889  56.88549       1.932832  59.45868       2.825002  54.62082       2.650234  3.197250       2.565777  
1 1 1 -22 11 5  o 22.42882 1.053984  5.000267       0.4709584 4.479661       0.6372120 5.627018       0.6991618 -2.555092      2.107969  
1 1 1 -22 11 6  f 45.78529 0.9885724 20.99014       0.9050633 21.38239       1.276568  20.59371       1.283365  0.8615608      1.977145  
1 1 1 -22 11 7  o 92.60255 1.494356  85.91215       2.766130  84.41992       3.837247  87.52641       3.991084  -1.668243      2.988713  
1 1 1 -22 11 8  o 95.66394 1.535150  91.35596       2.926937  87.28078       3.946173  96.33958       4.363907  -4.709663      3.070299  
1 1 1 -22 11 9  o 28.29795 0.5342333 8.008352       0.3022752 8.088894       0.4332971 7.931993       0.4218945 0.2769928      1.068467  
1 1 1 -22 11 10 o 36.00349 0.5713609 12.96244       0.4113410 12.64477       0.5757530 13.29363       0.5878848 -0.9008331     1.142722  
1 1 1 -22 11 11 o 152.2832 1.622252  232.3157       4.936139  226.9018       6.805305  238.3262       7.170514  -3.727798      3.244505  
1 1 1 -22 11 12 o 41.28526 0.6051725 17.05012       0.4996701 16.85518       0.7027361 17.24946       0.7106103 -0.4773064     1.210345  
1 1 1 -22 11 13 o 52.09306 0.6812935 27.15129       0.7098127 27.10570       1.003082  27.19701       1.004574  -0.8759689E-01 1.362587  
1 1 1 -22 11 14 o 51.26312 0.6774424 26.28948       0.6944928 26.56639       0.9903863 26.02157       0.9741377 0.5309410      1.354885  
1 1 1 -22 11 15 f 38.11057 0.6039122 13.95332       0.4507681 17.73284       0.7322353 11.64694       0.5720012 7.980381       1.207824  
1 1 1 -22 11 16 o 23.30327 0.5910037 5.434254       0.2752838 5.385801       0.3951756 5.479932       0.3836981 -0.2022648     1.182007  
1 1 1 -22 11 17 o 41.93488 0.6291788 17.41324       0.5247170 19.36961       0.7951159 15.90393       0.6983828 4.129517       1.258358  
1 1 1 -22 11 18 o 100.3596 1.203989  101.1424       2.398782  102.9655       3.219421  98.86697       3.596613  2.062302       2.407979  
1 1 1 -22 11 19 o 113.8271 1.534238  130.4677       3.297541  131.5229       4.053298  128.4023       5.670736  1.481918       3.068475  
1 1 1 -22 11 20 o 93.31133 1.513182  86.67207       2.808629  93.50311       4.249022  81.37135       3.742939  6.465179       3.026364  
1 1 1 -22 11 21 o 23.76913 1.092489  5.643639       0.5176344 6.325877       0.7518363 5.028789       0.7137398 2.726536       2.184978  
1 1 1 -22 11 22 o 82.73218 1.378772  68.10056       2.269435  73.66845       3.429857  63.76454       3.026741  5.958229       2.757544  
1 1 1 -22 11 23 o 80.47958 1.352993  64.91450       2.177217  66.06141       3.122288  63.82899       3.037558  1.381111       2.705987  
1 1 1 -22 11 24 o 91.12804 1.345939  83.68300       2.416713  80.72639       3.717837  85.84642       3.180276  -2.847153      2.691877  
1 1 1 -22 11 25 o 53.82789 0.9136388 28.04708       0.8816130 31.18682       1.712864  26.91554       1.028276  3.934284       1.827278  
1 1 1 -22 11 26 o 21.43596 0.9941114 4.876492       0.3581106 4.093559       0.7137606 5.139878       0.4139873 -2.455938      1.988223  
1 1 1 -22 11 27 o 58.87328 1.023190  34.64833       1.202982  35.97683       1.760460  33.48459       1.647681  2.109985       2.046380  
1 1 1 -22 11 28 o 46.34982 0.6738454 21.40928       0.6231657 22.83638       0.9209215 20.20389       0.8463697 2.836720       1.347691  
1 1 1 -22 11 29 o 79.59733 0.9307168 63.35036       1.479810  65.60641       2.159178  61.35199       2.032130  2.664536       1.861434  
1 1 1 -22 11 30 o 45.35184 0.6799029 20.58751       0.6166550 20.29686       0.8716263 20.87877       0.8725380 -0.6415024     1.359806  
1 1 1 -22 11 31 o 80.40556 1.139892  64.00912       1.713450  67.08067       3.051298  62.59444       2.070774  2.712296       2.279783  
1 1 1 -22 11 32 f 39.05916 0.8529766 15.26013       0.6658746 15.82411       0.9635999 14.74468       0.9212076 1.379086       1.705953  
1 1 1 -22 11 33 o 69.48283 1.166929  48.42920       1.621584  48.48320       2.302494  48.37607       2.284150  0.7535553E-01  2.333857  
1 1 1 -22 11 34 o 47.49650 0.9279488 22.60488       0.8814422 22.28753       1.242235  22.92666       1.250905  -0.6721268     1.855898  
1 1 1 -22 11 35 o 53.93994 0.9947025 29.06463       1.070911  27.54560       1.458877  30.83962       1.577005  -3.042709      1.989405  
1 1 1 -22 11 36 o 50.00116 0.8525054 25.02091       0.8204113 24.93713       1.028030  25.16783       1.361449  -0.2026558     1.705011  
1 1 1 -22 11 37 o 19.90432 0.7847303 3.973291       0.3116997 3.653908       0.4392867 4.297143       0.4423491 -1.615564      1.569461  
1 1 1 -22 11 38 o 14.50818 1.052017  2.095223       0.2863837 3.234375       0.4354575 1.226992       0.3801654 6.912187       2.104034  
1 1 1 -22 11 39 o 31.14724 0.7014220 9.722192       0.4365910 9.268846       0.6173804 10.17569       0.6174854 -1.455734      1.402844  
1 1 1 -22 11 40 f 75.29679 0.9182000 56.79534       1.381801  55.13608       1.911281  58.61234       2.000063  -2.298431      1.836400  
1 1 1 -22 11 41 o 68.98952 0.8700205 47.71579       1.200294  46.85363       1.682091  48.61023       1.713282  -1.269577      1.740041  
1 1 1 -22 11 42 o 60.27304 0.8087314 36.41463       0.9747498 36.68089       1.392505  36.15881       1.364918  0.4300766      1.617463  
1 1 1 -22 11 43 o 24.73019 0.7855335 6.111836       0.3878951 6.476809       0.5685632 5.794045       0.5305413 1.376270       1.571067  
1 1 1 -22 11 44 o 54.12758 0.7766542 29.34021       0.8399557 30.03442       1.220135  28.71486       1.158049  1.211895       1.553308  
1 1 1 -22 11 45 o 14.44519 1.136172  2.179961       0.3140929 1.515518       0.4571917 2.773875       0.4322461 -4.359715      2.272343  
1 1 1 -22 11 46 o 17.21119 0.9968783 2.967495       0.3419501 3.336733       0.4971961 2.636079       0.4710439 2.031120       1.993757  
1 1 1 -22 11 47 o 14.01531 1.176216  1.958390       0.3280123 2.240247       0.4912930 1.731701       0.4405958 1.803761       2.352433  
1 1 1 -22 11 48 o 12.94922 1.832733  2.067719       0.4002990 1.101314       0.7883848 2.403405       0.4646496 -5.019900      3.665465  
1 1 1 -22 11 49 f 32.59533 0.9971159 11.02749       0.5995823 9.746595       1.045421  11.65535       0.7319269 -2.984802      1.994232  
1 1 1 -22 11 50 o 12.19361 1.990052  1.654422       0.4740735 1.135559       0.7980225 1.937396       0.5893355 -3.274553      3.980104  
1 1 1 -22 11 51 o 16.30593 1.716831  2.844494       0.5223596 2.279297       0.8082042 3.249977       0.6845540 -3.245811      3.433661  
1 1 1 -22 11 52 o 9.700715 2.215993  0.9663059      0.4836331 0.6837455      0.8500201 1.101563       0.5881035 -1.012419      4.431986  
1 1 1 -22 11 53 o 11.98937 2.211349  1.483920       0.5171063 1.740495       0.8786741 1.347973       0.6395937 1.483678       4.422698  
1 1 1 -22 11 54 o 19.53445 1.513410  3.908477       0.5781958 3.718782       0.9059169 4.038865       0.7510652 -0.8770943     3.026819  
1 1 1 -22 11 55 o 42.19091 1.149572  17.92920       0.9615932 18.21806       1.464432  17.71024       1.274966  0.5487289      2.299143  
1 1 1 -22 11 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 12 1  f 54.83519 1.080054  30.00412       1.182272  32.13897       1.736294  28.15865       1.614331  3.623108       2.160108  
1 1 1 -22 12 2  o 83.20537 1.386500  69.03982       2.298077  65.55089       3.087696  73.37249       3.440853  -4.677406      2.773000  
1 1 1 -22 12 3  o 71.21628 1.246410  50.54673       1.769586  54.22542       2.635075  47.52494       2.388239  4.690193       2.492821  
1 1 1 -22 12 4  o 65.56104 1.178770  42.94500       1.542507  41.36520       2.102235  44.78751       2.270316  -2.601006      2.357540  
1 1 1 -22 12 5  o 148.1348 2.265311  220.1983       6.694999  230.2188       9.893638  211.7336       9.093241  6.157364       4.530622  
1 1 1 -22 12 6  o 62.62977 1.149035  39.26635       1.438532  38.57632       1.996248  40.01176       2.074808  -1.141907      2.298071  
1 1 1 -22 12 7  o 91.74547 1.492383  83.87979       2.726187  89.87842       4.097106  79.11375       3.651993  5.836823       2.984766  
1 1 1 -22 12 8  o 128.1626 1.981294  165.0570       5.078104  164.0383       7.125864  166.1081       7.238509  -0.7975235     3.962588  
1 1 1 -22 12 9  o 39.59509 0.9712390 15.61556       0.7668909 17.33366       1.128288  14.14026       1.045529  4.028980       1.942478  
1 1 1 -22 12 10 o 62.62337 0.7639096 39.13418       0.9549167 37.54433       1.301985  40.98497       1.404778  -2.743584      1.527819  
1 1 1 -22 12 11 o 86.48492 0.9780865 74.79241       1.690152  76.93849       2.456495  72.86322       2.329064  2.350479       1.956173  
1 1 1 -22 12 12 o 61.32510 0.7564557 37.48436       0.9253752 35.64642       1.254560  39.67760       1.370463  -3.282799      1.512911  
1 1 1 -22 12 13 o 71.85268 0.8461530 51.65276       1.215565  52.50738       1.746432  50.84968       1.692953  1.151505       1.692306  
1 1 1 -22 12 14 o 63.72163 0.7790346 40.44707       0.9897621 38.35063       1.337159  42.98768       1.472008  -3.633759      1.558069  
1 1 1 -22 12 15 o 95.47607 1.064879  91.27435       2.033129  92.20315       2.904511  90.38202       2.846911  0.9509048      2.129758  
1 1 1 -22 12 16 o 73.27328 1.266676  53.67831       1.853024  51.82745       2.531669  55.81408       2.719551  -2.709389      2.533352  
1 1 1 -22 12 17 o 117.6765 1.281657  138.5754       3.012918  142.8242       4.390199  134.7926       4.142409  3.397697       2.563313  
1 1 1 -22 12 18 o 116.8724 1.274238  136.7659       2.976253  139.9965       4.310109  133.8216       4.114797  2.629822       2.548477  
1 1 1 -22 12 19 o 97.33517 1.086636  94.83939       2.114402  93.10258       2.937232  96.70741       3.046174  -1.845947      2.173273  
1 1 1 -22 12 20 f 51.72520 0.6957930 26.69637       0.7184422 27.99722       1.056409  25.57700       0.9799542 2.336819       1.391586  
1 1 1 -22 12 21 o 31.87416 0.6133016 10.12411       0.3897391 9.062985       0.5343068 11.33068       0.5697475 -3.556143      1.226603  
1 1 1 -22 12 22 o 138.4194 1.490795  192.2393       4.127083  191.8873       5.826037  192.5939       5.847172  -0.2535706     2.981591  
1 1 1 -22 12 23 o 46.42408 0.6788796 21.22572       0.6250929 18.87159       0.8226047 24.44269       0.9616129 -5.995110      1.357759  
1 1 1 -22 12 24 o 123.0243 1.338581  151.7739       3.293560  151.7398       4.658043  151.8079       4.657550  -0.2770996E-01 2.677161  
1 1 1 -22 12 25 o 58.22579 1.016164  33.85997       1.180764  35.40663       1.740771  32.54196       1.606950  2.452171       2.032327  
1 1 1 -22 12 26 o 79.41546 1.167281  62.89368       1.720487  62.35846       2.072719  64.07947       3.085138  -1.012985      2.334562  
1 1 1 -22 12 27 o 43.40887 0.9714566 18.91075       0.8391363 21.33260       1.196935  16.56986       1.176759  5.484619       1.942913  
1 1 1 -22 12 28 f 28.10433 1.853319  7.925339       1.041726  7.925339       1.041726  ?              ?         ?              ?         
1 1 1 -22 12 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 12 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 12 31 o 82.76324 2.008258  68.80272       3.324199  68.80272       3.324199  ?              ?         ?              ?         
1 1 1 -22 12 32 o 28.30882 1.316155  8.292151       0.7207613 9.387004       0.9500721 6.807651       1.106290  4.572372       2.632310  
1 1 1 -22 12 33 o 43.25711 1.062526  18.73572       0.9185051 19.49276       1.331574  18.04855       1.268635  1.663513       2.125052  
1 1 1 -22 12 34 o 42.92759 1.059273  18.31867       0.9048744 20.15684       1.365849  16.88080       1.208010  3.800140       2.118546  
1 1 1 -22 12 35 o 85.73186 1.444586  73.78058       2.473202  71.18698       3.386341  76.74555       3.620677  -3.207466      2.889173  
1 1 1 -22 12 36 o 25.15302 1.057827  5.924950       0.4987229 7.573744       0.9162400 5.230780       0.5945096 4.621590       2.115654  
1 1 1 -22 12 37 o 23.01924 1.065172  5.164762       0.4153745 5.606716       0.8748493 5.036135       0.4719649 1.194016       2.130343  
1 1 1 -22 12 38 o 32.50181 0.9370011 10.57008       0.5360641 10.64454       1.047363  10.54365       0.6239898 0.1106949      1.874002  
1 1 1 -22 12 39 o 83.51669 1.226328  70.82795       1.936309  67.88103       3.297252  72.37920       2.392258  -2.826630      2.452657  
1 1 1 -22 12 40 o 39.82767 0.9484020 16.22182       0.6760361 15.22048       1.263013  16.62390       0.8003368 -1.817085      1.896804  
1 1 1 -22 12 41 o 42.75354 0.9406773 17.94336       0.7185292 19.22618       1.391681  17.47711       0.8390054 1.976479       1.881355  
1 1 1 -22 12 42 o 51.99617 0.9793313 26.85481       0.9277210 27.82503       1.725796  26.46050       1.100206  1.228561       1.958663  
1 1 1 -22 12 43 o 60.27632 1.036628  36.33182       1.147510  36.90259       2.094970  36.08717       1.371562  0.5690918      2.073256  
1 1 1 -22 12 44 o 25.51936 1.135260  6.855291       0.4852792 5.981615       0.9815167 7.137958       0.5582898 -2.333307      2.270520  
1 1 1 -22 12 45 o 43.34943 0.9736245 18.36732       0.7532576 20.00396       1.466690  17.78099       0.8778778 2.470848       1.947249  
1 1 1 -22 12 46 o 13.85334 1.799829  2.096287       0.4053200 1.787610       0.8378317 2.190601       0.4631203 -1.804475      3.599659  
1 1 1 -22 12 47 o 19.67034 1.322717  3.718573       0.4480335 4.271645       0.9323474 3.552508       0.5108876 1.731228       2.645434  
1 1 1 -22 12 48 f 25.60602 1.426095  0.000000       0.000000  ?              ?         6.591721       0.7303323 ?              ?         
1 1 1 -22 12 49 o 24.28350 2.540162  0.000000       0.000000  ?              ?         6.003721       1.233681  ?              ?         
1 1 1 -22 12 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 12 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 12 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 12 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 12 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 12 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 13 1  o 14.69489 1.599247  2.112201       0.4465302 1.539465       0.5758262 2.976111       0.7072102 -5.059675      3.198494  
1 1 1 -22 13 2  o 40.27343 0.9969554 16.24261       0.8028535 16.68356       1.139435  15.80784       1.131420  1.086803       1.993911  
1 1 1 -22 13 3  o 40.32860 1.000774  16.27384       0.8067991 15.87833       1.119686  16.70095       1.163550  -1.017704      2.001548  
1 1 1 -22 13 4  o 59.36024 1.128350  35.11934       1.335913  37.82963       1.980326  32.85594       1.809713  4.179920       2.256700  
1 1 1 -22 13 5  o 41.46778 1.001909  17.20300       0.8303797 18.11186       1.193300  16.34970       1.156245  2.122925       2.003818  
1 1 1 -22 13 6  o 97.06660 1.564282  94.31627       3.031839  98.20678       4.444593  90.93048       4.146271  3.725616       3.128563  
1 1 1 -22 13 7  o 49.29629 1.034934  24.33268       1.020240  24.88336       1.451966  23.79564       1.433877  1.102348       2.069868  
1 1 1 -22 13 8  o 54.07601 1.078434  29.21244       1.164827  30.92912       1.699508  27.69157       1.599650  2.988380       2.156867  
1 1 1 -22 13 9  o 52.08034 1.063229  27.16151       1.107338  26.95908       1.552061  27.37140       1.580348  -0.3944168     2.126459  
1 1 1 -22 13 10 o 59.12875 0.7336324 34.97956       0.8673639 34.65297       1.211115  35.32344       1.242773  -0.5658493     1.467265  
1 1 1 -22 13 11 o 34.51384 0.5728349 11.71286       0.3920067 10.15838       0.5169287 13.81664       0.6013651 -5.297386      1.145670  
1 1 1 -22 13 12 o 100.4319 1.112901  101.0322       2.235307  100.7350       3.143772  101.3361       3.178924  -0.2973633     2.225802  
1 1 1 -22 13 13 o 54.63184 0.7067640 29.84724       0.7718629 30.46800       1.112752  29.27158       1.071570  1.093571       1.413528  
1 1 1 -22 13 14 o 105.1378 1.158701  110.7290       2.436206  111.8026       3.476267  109.6928       3.415176  0.9998932      2.317402  
1 1 1 -22 13 15 o 94.00987 1.052115  88.35143       1.975370  85.60682       2.707739  91.47402       2.888173  -3.111092      2.104230  
1 1 1 -22 13 16 o 34.94851 0.6019984 12.22116       0.4207254 11.98724       0.5946481 12.45563       0.5953437 -0.6701050     1.203997  
1 1 1 -22 13 17 o 49.25877 0.6769483 24.21954       0.6659822 23.13373       0.9128820 25.45496       0.9737434 -2.354038      1.353897  
1 1 1 -22 13 18 o 42.08762 0.6387470 17.60432       0.5354157 19.02946       0.8034260 16.46574       0.7181194 3.042835       1.277494  
1 1 1 -22 13 19 o 18.58138 0.6784654 3.401047       0.2498689 4.105468       0.3792499 2.860723       0.3321514 3.347738       1.356931  
1 1 1 -22 13 20 o 96.60677 1.081312  93.45005       2.088475  91.89785       2.906284  95.10750       3.003199  -1.655518      2.162625  
1 1 1 -22 13 21 o 50.32277 0.6913472 25.28029       0.6947904 26.48672       1.016843  24.22379       0.9515656 2.245926       1.382694  
1 1 1 -22 13 22 o 48.33507 0.8970428 23.04275       0.8585706 25.86323       1.333631  21.04637       1.122011  4.972095       1.794086  
1 1 1 -22 13 23 f 70.99243 1.028215  49.95536       1.374020  52.05211       2.411456  48.94738       1.671981  2.142685       2.056430  
1 1 1 -22 13 24 o 34.99876 0.8173471 12.16106       0.5693598 10.69494       0.7690638 13.93920       0.8469524 -4.630890      1.634694  
1 1 1 -22 13 25 o 45.96270 0.8881021 21.08941       0.8150792 19.74092       1.117518  22.62214       1.191419  -3.129936      1.776204  
1 1 1 -22 13 26 o 102.5272 1.592416  105.6380       3.265046  106.1818       4.652318  105.1101       4.583399  0.5149384      3.184832  
1 1 1 -22 13 27 o 78.40301 1.268972  61.65938       1.989708  60.91382       2.796322  62.42395       2.831757  -0.9598999     2.537944  
1 1 1 -22 13 28 o 36.23722 0.7409194 13.20193       0.5285502 13.47875       0.6930440 12.81707       0.8171633 0.9194870      1.481839  
1 1 1 -22 13 29 o 58.03078 0.7609336 33.64994       0.8821797 32.26525       1.213412  35.20241       1.284830  -2.526531      1.521867  
1 1 1 -22 13 30 o 51.67568 0.7243899 26.73713       0.7486376 26.51548       1.060043  26.95767       1.057429  -0.4280128     1.448780  
1 1 1 -22 13 31 o 41.41437 0.6743452 17.15546       0.5579246 17.46733       0.8113864 16.87575       0.7684150 0.7117653      1.348690  
1 1 1 -22 13 32 f 68.15758 0.8461502 46.53719       1.153348  46.70189       1.642192  46.37686       1.620191  0.2367630      1.692300  
1 1 1 -22 13 33 o 98.27646 1.111872  96.90929       2.185389  96.46136       3.081131  97.36278       3.100171  -0.4565430     2.223744  
1 1 1 -22 13 34 o 34.97338 0.6871121 12.11607       0.4776479 13.46753       0.7264679 11.08695       0.6339391 3.396828       1.374224  
1 1 1 -22 13 35 o 60.26979 0.7945647 36.33036       0.9563993 37.51312       1.398063  35.28998       1.311216  1.837036       1.589129  
1 1 1 -22 13 36 o 36.72146 0.6887074 13.31543       0.5019144 15.10389       0.7701641 11.99509       0.6617383 4.224667       1.377415  
1 1 1 -22 13 37 o 28.56480 0.7175415 8.194894       0.4075927 7.956268       0.6047782 8.393482       0.5517154 -0.7697639     1.435083  
1 1 1 -22 13 38 f 38.94791 0.7119367 14.93193       0.5487754 17.05974       0.8549638 13.44104       0.7156569 4.633221       1.423873  
1 1 1 -22 13 39 o 33.44638 0.7274097 11.16164       0.4844482 11.68833       0.7260870 10.73907       0.6503752 1.411819       1.454819  
1 1 1 -22 13 40 o 87.42366 1.494185  77.07780       2.612424  76.40678       3.673274  77.76458       3.716150  -0.7678604     2.988370  
1 1 1 -22 13 41 f 51.93718 0.7677615 27.04579       0.7972653 26.47842       1.132783  27.60269       1.122297  -1.083466      1.535523  
1 1 1 -22 13 42 o 58.35252 0.8100546 33.88043       0.9399115 36.50940       1.424867  31.85524       1.250591  3.967342       1.620109  
1 1 1 -22 13 43 o 59.23366 0.8171825 35.17579       0.9673590 35.43967       1.397855  34.93327       1.340078  0.4203568      1.634365  
1 1 1 -22 13 44 o 24.84797 0.8371542 6.113458       0.4118645 6.754571       0.6394091 5.658825       0.5384457 2.190872       1.674308  
1 1 1 -22 13 45 o 39.46831 0.7705927 15.64943       0.6056398 13.86086       0.8503264 17.49095       0.8628183 -4.597057      1.541185  
1 1 1 -22 13 46 o 67.36694 0.8851550 45.56407       1.192350  45.40049       1.702190  45.72166       1.670726  -0.2432938     1.770310  
1 1 1 -22 13 47 o 23.74853 1.084767  5.448732       0.4740137 6.251356       0.8860691 5.126942       0.5610455 2.302572       2.169533  
1 1 1 -22 13 48 o 36.20131 1.031722  13.21850       0.7423286 12.84550       1.104703  13.52560       1.002365  -0.9601746     2.063444  
1 1 1 -22 13 49 o 30.75515 1.081925  9.578728       0.6518522 9.236558       1.021116  9.814079       0.8468610 -0.9774742     2.163849  
1 1 1 -22 13 50 o 25.32192 1.203777  6.466120       0.5958478 6.492194       0.9493665 6.449173       0.7653652 0.3577423E-01  2.407553  
1 1 1 -22 13 51 f 52.66210 1.123955  27.98159       1.181796  26.07126       1.668847  29.90326       1.673789  -3.637051      2.247910  
1 1 1 -22 13 52 o 56.86884 1.158129  32.26125       1.303093  35.10611       2.026093  30.25430       1.701754  4.175911       2.316259  
1 1 1 -22 13 53 o 66.63336 1.258503  44.90902       1.676229  43.09272       2.365922  46.73957       2.375197  -2.733582      2.517006  
1 1 1 -22 13 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 14 1  o 10.08241 1.965058  1.014655       0.4365360 0.4943416      0.6077940 1.569045       0.6273822 -4.347938      3.930116  
1 1 1 -22 14 2  o 51.04411 1.070227  26.08924       1.092156  27.13035       1.561340  25.09176       1.528275  1.994961       2.140454  
1 1 1 -22 14 3  o 21.39584 1.229775  4.639480       0.5134178 5.919672       0.7359804 3.425912       0.7165733 5.826414       2.459550  
1 1 1 -22 14 4  o 88.47328 1.459632  78.52943       2.582747  78.68805       3.647383  78.36990       3.657749  0.1806107      2.919264  
1 1 1 -22 14 5  o 112.2277 1.771847  126.1431       3.967471  132.1872       5.861606  121.0328       5.389750  4.924843       3.543695  
1 1 1 -22 14 6  o 77.88696 1.332254  60.82584       2.075292  61.05008       2.934360  60.60144       2.935452  0.2880859      2.664508  
1 1 1 -22 14 7  f 37.64051 1.009237  14.15343       0.7584846 15.35277       1.101588  13.07229       1.045896  3.026321       2.018474  
1 1 1 -22 14 8  o 78.67025 1.341370  61.99120       2.109204  63.87372       3.049445  60.26455       2.920465  2.284744       2.682739  
1 1 1 -22 14 9  o 99.41975 1.602625  98.73660       3.175621  104.8708       4.736516  93.72761       4.280101  5.565636       3.205251  
1 1 1 -22 14 10 o 87.60306 1.449844  76.74467       2.534977  80.60125       3.734205  73.44830       3.452359  4.061096       2.899689  
1 1 1 -22 14 11 o 122.3723 1.328405  149.9310       3.247591  154.4693       4.729097  145.8808       4.467623  3.490875       2.656811  
1 1 1 -22 14 12 o 64.88768 0.7901655 42.03368       1.023621  43.93220       1.503181  40.39203       1.397794  2.723507       1.580331  
1 1 1 -22 14 13 o 158.3405 1.689342  251.7948       5.349813  251.6830       7.557939  251.9071       7.573643  -0.6935120E-01 3.378684  
1 1 1 -22 14 14 o 92.18266 1.037401  85.10714       1.912460  84.51067       2.684673  85.72169       2.725034  -0.6546173     2.074802  
1 1 1 -22 14 15 o 162.8424 1.735000  266.3936       5.650602  265.9804       7.976084  266.8101       8.006319  -0.2519379     3.470001  
1 1 1 -22 14 16 o 83.57901 0.9600578 69.59380       1.598824  66.03123       2.151292  73.98935       2.389596  -4.748390      1.920116  
1 1 1 -22 14 17 o 53.51537 0.7115932 28.34860       0.7566717 26.01673       1.002610  31.43433       1.153344  -5.055820      1.423186  
1 1 1 -22 14 18 o 30.28306 0.5979014 9.176007       0.3620925 9.160167       0.5153374 9.191453       0.5088760 -0.5187035E-01 1.195803  
1 1 1 -22 14 19 o 31.92542 0.7482624 10.21066       0.4771889 9.982900       0.6874006 10.42251       0.6629568 -0.6895409     1.496525  
1 1 1 -22 14 20 o 47.92094 0.7977379 23.31223       0.7500876 21.05394       1.145458  25.00761       0.9924802 -4.132305      1.595476  
1 1 1 -22 14 21 o 66.50315 1.102632  44.31423       1.466227  44.59524       2.099181  44.04654       2.048852  0.4091187      2.205265  
1 1 1 -22 14 22 o 34.44359 0.7799551 11.84215       0.5355902 12.29411       0.7952599 11.46699       0.7245470 1.197086       1.559910  
1 1 1 -22 14 23 o 24.59060 0.8077193 6.088358       0.3927499 4.994632       0.5511974 7.216354       0.5597662 -4.516951      1.615439  
1 1 1 -22 14 24 o 52.07871 0.8320855 27.52997       0.8512738 29.57579       1.129968  24.84498       1.294503  4.551495       1.664171  
1 1 1 -22 14 25 o 64.58631 0.8069212 41.64566       1.040461  39.79485       1.420437  43.78836       1.528350  -3.085514      1.613842  
1 1 1 -22 14 26 o 76.82573 0.9110650 59.06475       1.398945  60.62859       2.023599  57.63322       1.936113  1.943733       1.822130  
1 1 1 -22 14 27 o 50.21886 0.7071904 25.22751       0.7098308 25.75743       1.026097  24.74117       0.9829945 1.009487       1.414381  
1 1 1 -22 14 28 o 7.287195 1.475550  0.5547855      0.2276282 0.4348733      0.3573337 0.6366753      0.2952955 -1.039887      2.951101  
1 1 1 -22 14 29 o 44.14434 0.6798860 19.47654       0.5993863 20.07695       0.8763513 18.94879       0.8216143 1.274670       1.359772  
1 1 1 -22 14 30 o 42.69011 0.6825285 18.25205       0.5824817 17.64498       0.8246055 18.85661       0.8229041 -1.419201      1.365057  
1 1 1 -22 14 31 o 66.12069 0.8275088 43.78690       1.093947  44.28363       1.570814  43.31909       1.524381  0.7257233      1.655018  
1 1 1 -22 14 32 o 12.41970 1.151771  1.492109       0.2674807 2.256243       0.4283595 1.003741       0.3424497 5.158084       2.303543  
1 1 1 -22 14 33 o 52.58894 0.7395468 27.47145       0.7736425 29.88080       1.170704  25.60357       1.030794  4.055813       1.479094  
1 1 1 -22 14 34 o 51.22853 0.7363512 26.20352       0.7523085 27.34837       1.115025  25.24686       1.019262  2.043495       1.472702  
1 1 1 -22 14 35 f 48.00202 0.7184348 23.05031       0.6887561 23.61747       1.005704  22.54934       0.9452052 1.107628       1.436870  
1 1 1 -22 14 36 o 21.88893 0.7887884 4.766798       0.3416205 5.029895       0.5287210 4.578242       0.4475980 1.024008       1.577577  
1 1 1 -22 14 37 o 39.80033 0.7052000 15.79851       0.5592980 16.66191       0.8348523 15.09546       0.7533460 1.960583       1.410400  
1 1 1 -22 14 38 o 36.21857 0.7096698 13.11807       0.5124272 13.44019       0.7593753 12.84877       0.6943458 0.8102989      1.419340  
1 1 1 -22 14 39 o 24.02482 0.7931202 5.634728       0.3750442 6.657145       0.5991188 4.975905       0.4809315 3.486162       1.586240  
1 1 1 -22 14 40 o 14.32725 1.335544  1.992869       0.3686123 2.341834       0.6290829 1.810410       0.4548828 1.821513       2.671088  
1 1 1 -22 14 41 o 17.55819 1.002146  3.120279       0.3444254 2.969507       0.5388694 3.224417       0.4478460 -0.7391300     2.004292  
1 1 1 -22 14 42 o 43.61475 0.7462240 19.08557       0.6499752 18.70256       0.9394408 19.43726       0.9002208 -0.8467216     1.492448  
1 1 1 -22 14 43 o 31.44773 0.7724370 9.900359       0.4825889 10.06432       0.7283379 9.772038       0.6443255 0.4538326      1.544874  
1 1 1 -22 14 44 o 41.19070 0.7565677 17.03428       0.6223469 16.00903       0.8818470 18.05159       0.8784257 -2.479851      1.513135  
1 1 1 -22 14 45 o 83.22785 1.082353  69.87779       1.788191  67.90120       2.676888  71.47060       2.402994  -2.196686      2.164706  
1 1 1 -22 14 46 o 27.22814 1.075947  7.899925       0.5450364 6.062447       0.8918191 8.995401       0.6886001 -5.424578      2.151893  
1 1 1 -22 14 47 o 44.03958 1.039578  19.55264       0.9125885 18.95054       1.334224  20.08195       1.250984  -1.301643      2.079156  
1 1 1 -22 14 48 o 10.51319 2.057181  1.188553       0.4341810 1.004629       0.7646468 1.276071       0.5274606 -0.9486294     4.114363  
1 1 1 -22 14 49 f 48.34107 1.069344  23.59230       1.031201  21.90709       1.469963  25.22522       1.446983  -3.437481      2.138687  
1 1 1 -22 14 50 o 23.96161 1.231269  5.897793       0.5779924 5.167109       0.8762463 6.460591       0.7690197 -2.728134      2.462538  
1 1 1 -22 14 51 o 8.254516 2.145672  0.5728297      0.4717936 0.1986149      0.7934394 0.7775103      0.5868020 -1.162896      4.291344  
1 1 1 -22 14 52 o 39.93280 1.089881  16.05221       0.8625858 16.29441       1.315220  15.86940       1.142661  0.4849014      2.179762  
1 1 1 -22 14 53 o 30.78600 2.523672  0.000000       0.000000  ?              ?         9.688480       1.553875  ?              ?         
1 1 1 -22 15 1  o 23.55152 1.197812  5.568852       0.5632098 5.924932       0.7942128 5.208643       0.7988047 1.521032       2.395624  
1 1 1 -22 15 2  o 41.61375 1.038946  17.35077       0.8643478 17.39654       1.206405  17.30248       1.238991  0.1150932      2.077893  
1 1 1 -22 15 3  o 15.09821 1.588356  2.287530       0.4794268 2.203032       0.6682572 2.377150       0.6882067 -0.5747280     3.176711  
1 1 1 -22 15 4  o 75.14345 1.312659  56.40547       1.967868  59.71133       2.910954  53.62313       2.670534  4.032616       2.625318  
1 1 1 -22 15 5  o 73.46396 1.294359  54.10394       1.901548  55.02494       2.714108  53.21601       2.664955  1.227516       2.588717  
1 1 1 -22 15 6  o 68.03914 1.231039  46.16005       1.669896  49.51102       2.485303  43.40212       2.254683  4.473083       2.462079  
1 1 1 -22 15 7  o 8.448393 2.004118  0.5857329      0.4321354 1.072805       0.6182372 0.1204269      0.6042658 3.492414       4.008236  
1 1 1 -22 15 8  o 61.94900 1.173186  38.37005       1.451727  40.34974       2.118453  36.61726       1.993357  3.004288       2.346372  
1 1 1 -22 15 9  f 87.43980 1.458046  76.56264       2.546475  79.61638       3.719492  73.86851       3.493629  3.268257       2.916092  
1 1 1 -22 15 10 o 81.88155 1.394120  66.94025       2.276267  71.24564       3.382309  63.37593       3.077493  4.781654       2.788241  
1 1 1 -22 15 11 f 91.58235 1.297022  83.96805       2.206151  83.74781       2.663280  84.44959       3.938159  -0.2915726     2.594043  
1 1 1 -22 15 12 f 82.93643 0.9533888 68.86169       1.581012  69.86100       2.266991  67.91541       2.206032  1.169640       1.906778  
1 1 1 -22 15 13 o 121.2199 1.838634  147.2832       4.445812  153.8575       6.579871  141.7607       6.030629  4.931831       3.677268  
1 1 1 -22 15 14 o 131.9036 1.993557  175.0841       5.258208  176.8806       7.521400  173.3667       7.353886  1.312668       3.987114  
1 1 1 -22 15 15 o 51.47052 0.6973357 26.46616       0.7171633 25.39881       0.9884755 27.65244       1.042091  -2.187042      1.394671  
1 1 1 -22 15 16 o 104.1872 1.392154  109.4668       2.776220  106.9624       4.630395  110.8723       3.468859  -1.972900      2.784307  
1 1 1 -22 15 17 o 77.55980 1.279559  60.01376       1.970776  57.83489       2.615315  62.87672       2.997889  -3.219734      2.559117  
1 1 1 -22 15 18 o 88.70680 1.389668  78.49205       2.454474  74.22633       3.288521  83.85719       3.688030  -5.392433      2.779335  
1 1 1 -22 15 19 o 38.83789 0.7896711 15.07190       0.6122687 15.57404       0.8986371 14.63684       0.8364602 1.203247       1.579342  
1 1 1 -22 15 20 o 79.04180 1.120496  61.12607       1.648854  58.67269       1.977583  66.72120       2.986466  -5.013245      2.240993  
1 1 1 -22 15 21 f 15.32711 0.7974909 2.349961       0.2433356 2.374784       0.3628351 2.329670       0.3280458 0.1452246      1.594982  
1 1 1 -22 15 22 f 124.0212 1.351864  153.5617       3.338926  146.1637       4.480556  162.8007       5.007108  -6.657440      2.703728  
1 1 1 -22 15 23 o 26.16633 0.6490278 6.850161       0.3386101 6.882830       0.4993678 6.822356       0.4607002 0.1137753      1.298056  
1 1 1 -22 15 24 o 69.71119 0.8499034 48.56887       1.183418  46.74729       1.623769  50.63262       1.728332  -2.780106      1.699807  
1 1 1 -22 15 25 o 66.43929 0.8241379 44.08504       1.093083  46.19984       1.606536  42.26212       1.491565  2.955887       1.648276  
1 1 1 -22 15 26 f 56.06959 0.7519217 31.33853       0.8409858 29.58512       1.139918  33.43276       1.245789  -3.424549      1.503843  
1 1 1 -22 15 27 o 89.87077 1.032669  80.39168       1.846291  86.48463       2.790603  75.64834       2.462219  5.999870       2.065338  
1 1 1 -22 15 28 o 48.04932 0.7013544 22.94295       0.6708022 24.88002       1.010552  21.41709       0.8969000 3.596390       1.402709  
1 1 1 -22 15 29 f 25.56593 0.6879317 6.292425       0.3449101 8.139814       0.5539808 5.123006       0.4407583 5.892641       1.375863  
1 1 1 -22 15 30 o 13.13857 1.050346  1.797743       0.2647297 1.437293       0.4110846 2.053140       0.3460322 -2.350395      2.100692  
1 1 1 -22 15 31 f 19.79841 0.7866870 3.819038       0.3071695 4.755685       0.4817709 3.177473       0.3987243 3.978878       1.573374  
1 1 1 -22 15 32 o 23.62568 0.7344825 5.635563       0.3439984 5.152422       0.5072396 6.047003       0.4680898 -1.896290      1.468965  
1 1 1 -22 15 33 o 14.22008 0.9849622 1.959589       0.2750800 2.427156       0.4426066 1.665321       0.3511297 2.668608       1.969924  
1 1 1 -22 15 34 o 13.05945 1.128670  1.606793       0.2842034 2.385247       0.4677207 1.151133       0.3578412 4.710517       2.257340  
1 1 1 -22 15 35 o 48.59217 0.7338098 23.62507       0.7125442 22.33543       0.9892265 25.01569       1.027227  -2.754448      1.467620  
1 1 1 -22 15 36 f 46.69366 0.7266807 21.77648       0.6767734 22.73907       1.002350  20.97000       0.9174761 1.886261       1.453361  
1 1 1 -22 15 37 o 20.25471 0.8673777 4.176197       0.3444335 3.748258       0.5261021 4.497211       0.4556613 -1.857000      1.734755  
1 1 1 -22 15 38 o 45.69962 0.7320362 20.92703       0.6682852 20.95094       0.9691775 20.90537       0.9227286 0.4517746E-01  1.464072  
1 1 1 -22 15 39 o 40.04472 0.7249659 16.06510       0.5790126 16.13917       0.8520313 16.00154       0.7892615 0.1652679      1.449932  
1 1 1 -22 15 40 f 26.70220 0.7805169 7.074691       0.4125114 7.640907       0.6398156 6.671883       0.5396492 1.803011       1.561034  
1 1 1 -22 15 41 f 8.270565 1.498860  0.7203260      0.3085671 -0.8379725E-01 0.4983436 1.220307       0.3929566 -5.474813      2.997721  
1 1 1 -22 15 42 o 31.87141 0.7543936 10.13440       0.4780388 10.64066       0.7229729 9.741116       0.6372164 1.400127       1.508787  
1 1 1 -22 15 43 o 43.38956 0.7593409 18.85695       0.6574530 17.14705       0.9131420 20.69740       0.9473598 -4.086678      1.518682  
1 1 1 -22 15 44 o 35.51922 0.8976293 12.25067       0.5901228 13.76271       1.086896  11.61862       0.7027200 2.957363       1.795259  
1 1 1 -22 15 45 o 32.96841 0.9551389 11.32268       0.6015914 9.331002       0.9546331 12.63465       0.7747989 -5.041607      1.910278  
1 1 1 -22 15 46 o 59.73844 1.137613  35.94821       1.357701  35.90825       1.965810  35.98467       1.877399  -0.8395004E-01 2.275225  
1 1 1 -22 15 47 o 33.37828 1.057773  11.10057       0.6961711 11.87358       1.094118  10.57471       0.9024144 1.903496       2.115547  
1 1 1 -22 15 48 o 41.01836 1.058812  16.99014       0.8661699 15.83377       1.240227  18.09123       1.210223  -2.758842      2.117624  
1 1 1 -22 15 49 o 11.71231 2.021895  1.392204       0.4547161 1.747906       0.7707194 1.202277       0.5631779 2.145017       4.043790  
1 1 1 -22 15 50 o 8.759916 2.020673  0.4722934      0.4280682 1.441370       0.7558123 0.1463508E-01  0.5194042 5.716195       4.041346  
1 1 1 -22 15 51 o 24.88890 1.265701  6.462337       0.6068131 5.364120       0.9451197 7.232555       0.7914984 -3.801258      2.531402  
1 1 1 -22 15 52 o 27.72576 2.430141  0.000000       0.000000  ?              ?         7.845312       1.347550  ?              ?         
1 1 1 -22 16 1  f 11.46921 2.088062  1.380591       0.4822505 1.457050       0.6618125 1.294033       0.7041668 0.6393023      4.176123  
1 1 1 -22 16 2  f 104.2955 1.682298  109.3869       3.509111  109.7950       4.966722  108.9803       4.958552  0.3896255      3.364596  
1 1 1 -22 16 3  o 52.45760 1.107750  27.55325       1.161167  26.87223       1.601914  28.30724       1.685554  -1.361275      2.215499  
1 1 1 -22 16 4  o 97.74291 1.595949  95.99576       3.119461  97.34232       4.455113  94.70058       4.369306  1.341812       3.191899  
1 1 1 -22 16 5  o 22.13704 1.279711  4.877433       0.5631619 4.187417       0.7630111 5.703135       0.8346663 -3.417183      2.559422  
1 1 1 -22 16 6  o 88.22321 1.474599  78.05706       2.599098  76.06965       3.577689  80.27816       3.782189  -2.364586      2.949199  
1 1 1 -22 16 7  o 36.69959 1.051364  13.47957       0.7710887 13.06896       1.065007  13.93196       1.117881  -1.172005      2.102727  
1 1 1 -22 16 8  o 46.43791 1.064680  21.60892       0.9886656 21.49717       1.384081  21.72535       1.412728  -0.2436333     2.129360  
1 1 1 -22 16 9  o 62.22497 1.181690  38.73974       1.468986  40.65718       2.139104  37.02843       2.020855  2.906498       2.363379  
1 1 1 -22 16 10 o 27.08672 1.111480  7.358021       0.6017632 7.614393       0.8481863 7.098190       0.8538857 0.9532948      2.222961  
1 1 1 -22 16 11 o 48.18468 1.075910  23.16842       1.034604  25.12377       1.521036  21.48477       1.411410  3.768173       2.151820  
1 1 1 -22 16 12 o 56.78333 0.7265705 32.07183       0.8219562 34.59281       1.230355  30.03977       1.104626  4.002937       1.453141  
1 1 1 -22 16 13 o 23.68818 0.6019797 5.356571       0.2766727 6.708995       0.4656987 4.618832       0.3439537 4.406784       1.203959  
1 1 1 -22 16 14 o 50.28316 0.8792300 25.27559       0.8828796 26.13659       1.291855  24.52101       1.209382  1.601460       1.758460  
1 1 1 -22 16 15 o 73.74571 1.180550  54.35746       1.737296  52.03223       2.362449  57.09568       2.563684  -3.416405      2.361100  
1 1 1 -22 16 16 o 23.99761 0.6959651 5.782244       0.3329570 5.339813       0.4762689 6.205175       0.4656549 -1.803535      1.391930  
1 1 1 -22 16 17 o 68.27051 1.389817  46.69794       1.897671  46.69794       1.897671  ?              ?         ?              ?         
1 1 1 -22 16 18 o 23.68052 0.6183488 5.475606       0.2892676 6.707768       0.4508898 4.613734       0.3771010 4.418234       1.236698  
1 1 1 -22 16 19 o 30.77779 0.6091868 9.480559       0.3744236 9.464802       0.5444327 9.494702       0.5157598 -0.4980850E-01 1.218374  
1 1 1 -22 16 20 o 156.5984 1.679946  246.6519       5.261501  247.2790       7.457831  246.0303       7.424054  0.3945770      3.359891  
1 1 1 -22 16 21 o 44.62978 0.6751645 19.90304       0.6021199 19.03802       0.8311935 20.85820       0.8734276 -2.037033      1.350329  
1 1 1 -22 16 22 o 44.79623 0.6697140 20.02980       0.5987769 20.95215       0.8818381 19.24076       0.8156291 1.906662       1.339428  
1 1 1 -22 16 23 o 61.40127 0.7827685 37.29782       0.9541332 34.16006       1.259094  41.53004       1.462286  -5.988361      1.565537  
1 1 1 -22 16 24 o 66.29926 0.8251761 44.02611       1.094147  43.62601       1.542839  44.43092       1.551917  -0.6063919     1.650352  
1 1 1 -22 16 25 o 64.46600 0.8105900 41.46831       1.042716  39.36837       1.417124  43.94736       1.539742  -3.542763      1.621180  
1 1 1 -22 16 26 o 43.47583 0.6787411 18.78950       0.5873657 20.27771       0.8848913 17.61737       0.7853162 3.053341       1.357482  
1 1 1 -22 16 27 o 44.73869 0.6808158 20.01172       0.6086908 19.00614       0.8436501 21.10353       0.8790803 -2.341686      1.361632  
1 1 1 -22 16 28 o 24.80934 0.6878983 6.162675       0.3382304 6.169595       0.5142348 6.157398       0.4490286 0.1998329E-01  1.375797  
1 1 1 -22 16 29 o 32.68749 0.6730815 10.70168       0.4384893 9.551291       0.6124154 11.91181       0.6281179 -3.609634      1.346163  
1 1 1 -22 16 30 o 43.13811 0.6911056 18.54336       0.5940287 19.66882       0.8877463 17.63086       0.7993557 2.355595       1.382211  
1 1 1 -22 16 31 o 45.60013 0.6994935 20.78314       0.6363940 21.41146       0.9386157 20.24854       0.8657838 1.269421       1.398987  
1 1 1 -22 16 32 o 69.67218 0.8655508 48.36433       1.200569  51.68235       1.805484  45.73428       1.607442  4.248512       1.731102  
1 1 1 -22 16 33 o 6.502676 1.491326  0.2209448      0.2461349 0.8090955      0.4177374 -0.9182668E-01 0.3046300 4.589915       2.982651  
1 1 1 -22 16 34 o 52.40473 0.7474625 27.47129       0.7826840 25.98995       1.083015  29.09080       1.132400  -2.953793      1.494925  
1 1 1 -22 16 35 o 43.36646 0.7133850 18.64796       0.6143205 20.44529       0.9395893 17.30597       0.8118931 3.607285       1.426770  
1 1 1 -22 16 36 o 42.77885 0.7103391 18.30605       0.6057285 18.68925       0.8979070 17.98602       0.8205669 0.8144493      1.420678  
1 1 1 -22 16 37 o 20.95314 0.8392299 4.182011       0.3426572 5.552320       0.5653661 3.386393       0.4307967 5.152489       1.678460  
1 1 1 -22 16 38 f 34.21370 0.7162766 11.64534       0.4864556 12.40011       0.7432708 11.07979       0.6433922 1.919056       1.432553  
1 1 1 -22 16 39 o 12.68822 1.901756  1.548830       0.4349294 2.109754       0.8168556 1.326891       0.5138182 2.887815       3.803512  
1 1 1 -22 16 40 o 10.01658 1.599814  1.047129       0.3039400 1.073048       0.5051799 1.032423       0.3805138 0.1430082      3.199628  
1 1 1 -22 16 41 o 28.55492 0.7760714 8.004890       0.4373452 9.256958       0.6905305 7.166248       0.5651416 3.643839       1.552143  
1 1 1 -22 16 42 o 18.76010 0.9879205 3.450438       0.3598409 3.887766       0.5980300 3.202238       0.4505251 1.801390       1.975841  
1 1 1 -22 16 43 o 64.51808 1.036600  41.42507       1.253451  43.07777       2.216707  40.64825       1.519742  1.754581       2.073199  
1 1 1 -22 16 44 o 38.00900 0.9820344 14.58053       0.7417150 13.93818       1.099056  15.11775       1.005115  -1.569279      1.964069  
1 1 1 -22 16 45 o 19.60878 1.275240  3.892121       0.4828992 3.834010       0.7902851 3.926745       0.6100321 -0.2818432     2.550480  
1 1 1 -22 16 46 o 23.31676 1.161153  5.271028       0.5248979 6.334487       0.8830582 4.689991       0.6527259 3.469259       2.322306  
1 1 1 -22 16 47 f 32.52646 1.040946  10.59563       0.6674300 10.97658       1.043568  10.33195       0.8682169 0.9505005      2.081892  
1 1 1 -22 16 48 o 52.97268 1.092898  27.71380       1.139100  31.34256       1.817712  25.36721       1.461719  5.552223       2.185796  
1 1 1 -22 16 49 o 34.94338 1.073964  12.40832       0.7424905 11.46229       1.108417  13.17836       1.000011  -2.483234      2.147928  
1 1 1 -22 16 50 o 30.64183 1.116035  9.572568       0.6722710 8.856153       1.028100  10.10771       0.8885608 -2.080938      2.232070  
1 1 1 -22 16 51 o 25.33220 2.458650  0.000000       0.000000  ?              ?         6.552783       1.245660  ?              ?         
1 1 1 -22 17 1  o 57.39676 1.154884  32.95552       1.323572  31.56318       1.809696  34.55691       1.940801  -2.595837      2.309767  
1 1 1 -22 17 2  o 65.29407 1.221737  42.73074       1.594194  41.77015       2.202660  43.78745       2.310246  -1.534584      2.443474  
1 1 1 -22 17 3  f 43.88872 1.073786  19.27688       0.9415312 20.55919       1.360748  18.09909       1.304110  2.798069       2.147573  
1 1 1 -22 17 4  f 33.34566 1.097123  11.02725       0.7276964 9.920942       0.9709600 12.44498       1.099158  -3.774292      2.194247  
1 1 1 -22 17 5  o 58.53190 1.159365  34.35386       1.357143  34.77071       1.922757  33.93999       1.915841  0.7090416      2.318730  
1 1 1 -22 17 6  o 66.30630 1.230267  44.06825       1.630495  43.24738       2.259150  44.96072       2.355610  -1.283508      2.460535  
1 1 1 -22 17 7  o 24.03611 1.193155  5.787633       0.5729013 5.404071       0.7972507 6.197179       0.8238117 -1.647577      2.386309  
1 1 1 -22 17 8  o 45.05579 1.073491  20.33561       0.9670475 21.00468       1.385405  19.69983       1.350487  1.445385       2.146983  
1 1 1 -22 17 9  o 18.68929 1.504867  3.528818       0.5457895 2.489220       0.7496806 4.701258       0.7961386 -5.913129      3.009735  
1 1 1 -22 17 10 f 50.62852 1.563285  0.000000       0.000000  ?              ?         25.69506       1.582936  ?              ?         
1 1 1 -22 17 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 17 12 o 99.06966 1.523456  98.56377       3.017487  100.1421       4.337573  97.08362       4.200472  1.528740       3.046912  
1 1 1 -22 17 13 o 32.43496 0.6833153 10.31131       0.4381496 12.04655       0.6860462 9.115977       0.5694027 4.511871       1.366631  
1 1 1 -22 17 14 o 35.99456 0.6608536 13.04659       0.4705626 13.56988       0.6285339 12.37922       0.7098050 1.657852       1.321707  
1 1 1 -22 17 15 o 51.98718 0.7014963 26.99042       0.7282816 28.20540       1.066278  25.92800       0.9970916 2.186733       1.402993  
1 1 1 -22 17 16 o 72.48828 0.8687941 52.61895       1.259264  52.08201       1.758913  53.18357       1.803667  -0.7568436     1.737588  
1 1 1 -22 17 17 o 56.86259 1.152449  32.31071       1.308218  34.64621       1.919646  30.28546       1.787602  3.822479       2.304898  
1 1 1 -22 17 18 o 53.70253 0.7191902 28.85800       0.7721723 29.44449       1.110241  28.30850       1.074661  1.055595       1.438380  
1 1 1 -22 17 19 f 100.4069 1.124836  100.9450       2.255979  104.3219       3.291865  97.95444       3.097841  3.152832       2.249672  
1 1 1 -22 17 20 o 82.63629 0.9619462 68.36015       1.588487  70.24593       2.304597  66.65335       2.192512  2.164665       1.923892  
1 1 1 -22 17 21 o 49.24866 0.7023950 24.28376       0.6917821 24.25591       0.9844373 24.31093       0.9723300 -0.5659866E-01 1.404790  
1 1 1 -22 17 22 o 24.75897 0.6729300 6.191534       0.3286188 5.004734       0.4641440 7.384420       0.4653327 -4.805635      1.345860  
1 1 1 -22 17 23 o 47.69604 0.6978197 22.75520       0.6650843 23.29934       0.9649432 22.26277       0.9179575 1.083603       1.395639  
1 1 1 -22 17 24 o 29.38306 0.6622472 8.635073       0.3853893 7.093686       0.5312586 10.34723       0.5599154 -5.534605      1.324494  
1 1 1 -22 17 25 o 48.37495 0.7021322 23.40816       0.6785170 23.95272       0.9880194 22.92211       0.9334409 1.061337       1.404264  
1 1 1 -22 17 26 o 24.95273 0.7049866 6.291502       0.3477054 5.223096       0.4943850 7.337257       0.4891168 -4.236717      1.409973  
1 1 1 -22 17 27 o 23.88469 0.6942552 5.578888       0.3269760 6.533753       0.5182362 4.947372       0.4214523 3.313810       1.388510  
1 1 1 -22 17 28 o 34.67941 0.6698318 12.05908       0.4639531 11.61058       0.6652924 12.48369       0.6473337 -1.260132      1.339664  
1 1 1 -22 17 29 o 41.00471 0.6816742 16.84775       0.5586747 16.19193       0.7916111 17.49854       0.7885683 -1.593487      1.363348  
1 1 1 -22 17 30 o 43.62640 0.6921148 19.06462       0.6038043 18.68355       0.8534927 19.44644       0.8543243 -0.8742790     1.384230  
1 1 1 -22 17 31 o 13.44592 1.155137  2.013489       0.2728815 1.193067       0.4178472 2.623605       0.3603341 -5.468276      2.310274  
1 1 1 -22 17 32 o 31.71344 0.6923421 10.09965       0.4368477 9.813293       0.6465947 10.34013       0.5925315 -0.8354340     1.384684  
1 1 1 -22 17 33 o 26.49902 0.7360842 7.118036       0.3825314 5.489723       0.5387233 8.773935       0.5432677 -6.196419      1.472168  
1 1 1 -22 17 34 o 30.79993 0.7081508 9.543006       0.4342137 8.994101       0.6335542 10.02923       0.5962811 -1.683985      1.416302  
1 1 1 -22 17 35 o 54.73067 0.7707740 30.01471       0.8434159 28.93518       1.181924  31.13479       1.203921  -2.007107      1.541548  
1 1 1 -22 17 36 f 20.93278 0.8302681 4.266881       0.3416409 5.108555       0.5486567 3.733859       0.4366176 3.270018       1.660536  
1 1 1 -22 17 37 o 67.37521 0.8624042 45.53368       1.161855  45.60102       1.660584  45.46910       1.626178  0.9352112E-01  1.724808  
1 1 1 -22 17 38 o 9.821106 1.561217  1.017143       0.2871225 0.9811777      0.4930301 1.035601       0.3531953 -0.3231907     3.122434  
1 1 1 -22 17 39 o 13.67648 1.381022  1.976516       0.3543411 1.592608       0.5416914 2.263654       0.4684729 -2.649775      2.762045  
1 1 1 -22 17 40 o 21.49567 0.8929887 4.453022       0.3757633 5.644804       0.6120182 3.731942       0.4760558 4.427986       1.785977  
1 1 1 -22 17 41 o 20.67230 1.071186  4.350783       0.4002861 4.173100       0.7397456 4.424351       0.4759928 -0.6562309     2.142372  
1 1 1 -22 17 42 o 60.30141 1.115091  36.55618       1.341495  37.16739       1.974811  36.03247       1.828004  0.9109612      2.230181  
1 1 1 -22 17 43 o 23.14582 1.116300  5.442392       0.4988591 5.203313       0.8103471 5.588290       0.6330299 -0.8699265     2.232599  
1 1 1 -22 17 44 o 27.64397 1.035629  7.616488       0.5608037 8.037289       0.8982494 7.347692       0.7179105 1.209852       2.071257  
1 1 1 -22 17 45 o 23.01809 1.194272  5.470373       0.5279573 4.852784       0.8486144 5.860366       0.6743563 -2.233599      2.388544  
1 1 1 -22 17 46 o 19.34556 1.267758  3.636362       0.4761461 4.379175       0.7979656 3.225647       0.5933547 2.924036       2.535516  
1 1 1 -22 17 47 o 8.309708 2.097404  0.5818636      0.4217342 0.7612274      0.7316828 0.4926284      0.5160879 1.596287       4.194808  
1 1 1 -22 17 48 o 9.113970 2.005008  0.8597392      0.4521191 0.7247385E-01  0.7640192 1.283996       0.5608644 -3.752218      4.010015  
1 1 1 -22 17 49 o 19.31793 1.452799  3.929355       0.5325652 3.267681       0.8595337 4.341655       0.6784965 -2.843002      2.905598  
1 1 1 -22 17 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 18 1  o 79.59100 1.388760  63.62762       2.209591  62.77402       3.069536  64.54563       3.183233  -1.098808      2.777520  
1 1 1 -22 18 2  o 32.65535 1.125766  10.64147       0.7332568 9.912458       0.9939727 11.51190       1.086105  -2.439880      2.251531  
1 1 1 -22 18 3  o 45.75442 1.100845  20.90843       1.005005  19.72498       1.365365  22.30781       1.484707  -2.811169      2.201689  
1 1 1 -22 18 4  o 26.15586 1.201823  6.851911       0.6280622 6.562332       0.8650979 7.174650       0.9132882 -1.165592      2.403646  
1 1 1 -22 18 5  o 89.53297 1.503959  80.46280       2.690396  83.48990       3.913174  77.74929       3.704947  3.179459       3.007918  
1 1 1 -22 18 6  o 28.59219 1.154688  8.185551       0.6596723 7.822127       0.9096248 8.588739       0.9580964 -1.335911      2.309377  
1 1 1 -22 18 7  o 53.75193 1.622616  0.000000       0.000000  ?              ?         28.98234       1.744375  ?              ?         
1 1 1 -22 18 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 18 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 18 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 18 11 o 53.20112 1.583210  28.38704       1.684572  28.38704       1.684572  ?              ?         ?              ?         
1 1 1 -22 18 12 o 67.70023 1.264396  45.91311       1.710262  48.38951       2.484634  43.68326       2.357707  3.462402       2.528792  
1 1 1 -22 18 13 o 65.68853 1.238611  43.30067       1.626824  43.03855       2.271828  43.57655       2.330651  -0.4033813     2.477221  
1 1 1 -22 18 14 o 46.41408 0.9046195 21.11539       0.7340817 22.55437       1.470235  20.63753       0.8472469 2.018372       1.809239  
1 1 1 -22 18 15 o 61.05267 0.8500630 37.34319       1.022242  37.31816       1.589713  37.36083       1.334805  -0.5342484E-01 1.700126  
1 1 1 -22 18 16 o 25.24229 0.6007279 6.387655       0.3026200 5.918273       0.4287569 6.853604       0.4271860 -1.852789      1.201456  
1 1 1 -22 18 17 f 40.87882 1.090449  16.47401       0.8836608 14.08354       1.168283  19.67011       1.350879  -6.815479      2.180898  
1 1 1 -22 18 18 o 64.09671 0.8028685 40.95170       1.025759  43.52571       1.528911  38.84468       1.383283  3.640930       1.605737  
1 1 1 -22 18 19 o 78.12131 0.9219584 61.11219       1.439595  59.69866       1.993544  62.65254       2.081064  -1.883034      1.843917  
1 1 1 -22 18 20 o 19.59339 0.6897507 3.816444       0.2687727 4.095662       0.4069286 3.600376       0.3579656 1.260632       1.379501  
1 1 1 -22 18 21 o 95.05345 1.079247  90.54380       2.049836  93.04017       2.976915  88.29296       2.826725  2.480827       2.158493  
1 1 1 -22 18 22 o 29.56929 0.6458160 8.771894       0.3806114 8.513874       0.5571927 8.997607       0.5211453 -0.8203659     1.291632  
1 1 1 -22 18 23 o 49.37141 0.7108132 24.12112       0.6969332 26.89600       1.065778  22.04811       0.9211821 4.898846       1.421626  
1 1 1 -22 18 24 o 64.58067 0.8184888 41.78967       1.057145  41.37972       1.492278  42.20266       1.497793  -0.6366653     1.636978  
1 1 1 -22 18 25 o 35.23676 0.6643957 12.35170       0.4660392 10.81216       0.6335512 14.16705       0.6879640 -4.756580      1.328791  
1 1 1 -22 18 26 o 65.22532 0.8244680 42.63435       1.075469  42.72509       1.529381  42.54557       1.512644  0.1360779      1.648936  
1 1 1 -22 18 27 o 25.91498 0.6993813 6.736773       0.3602888 6.631667       0.5378195 6.822345       0.4852731 -0.3721600     1.398763  
1 1 1 -22 18 28 o 44.66827 0.7011726 19.97941       0.6259869 20.16039       0.9036571 19.81244       0.8679789 0.3864670      1.402345  
1 1 1 -22 18 29 o 30.01875 0.6913635 9.060157       0.4135278 8.410137       0.5957242 9.664656       0.5744871 -2.091393      1.382727  
1 1 1 -22 18 30 f 16.69944 0.9892569 3.053564       0.2989599 1.686767       0.4439030 4.188113       0.4044343 -7.493947      1.978514  
1 1 1 -22 18 31 o 42.73866 0.6996825 18.28668       0.5970762 18.52272       0.8723128 18.07862       0.8189936 0.5145416      1.399365  
1 1 1 -22 18 32 o 40.60315 0.6988166 16.13325       0.5596047 18.88465       0.8862006 14.30853       0.7216942 5.619473       1.397633  
1 1 1 -22 18 33 o 16.73657 0.9342347 2.857720       0.3043590 2.584224       0.4761073 3.046726       0.3957925 -1.392082      1.868469  
1 1 1 -22 18 34 f 42.52312 0.7126521 17.93928       0.6019935 19.65139       0.9186699 16.65084       0.7969424 3.515495       1.425304  
1 1 1 -22 18 35 f 25.38567 0.7655244 6.440475       0.3850873 6.600995       0.5889931 6.320630       0.5089290 0.5432091      1.531049  
1 1 1 -22 18 36 o 85.49570 1.013188  73.41734       1.732216  73.79950       2.473469  73.04951       2.426648  0.4312592      2.026377  
1 1 1 -22 18 37 o 26.95237 0.7970355 7.400509       0.4219676 5.931864       0.6064750 8.778611       0.5874828 -5.283566      1.594071  
1 1 1 -22 18 38 o 35.02919 0.7482506 12.34346       0.5211287 11.90886       0.7724118 12.70657       0.7060285 -1.147327      1.496501  
1 1 1 -22 18 39 o 32.77997 0.7907739 10.83264       0.5067258 10.51674       0.8004783 11.04389       0.6545760 -0.8242683     1.581548  
1 1 1 -22 18 40 o 11.55319 1.711112  1.433874       0.3569930 1.242837       0.6568257 1.513968       0.4252949 -1.408588      3.422225  
1 1 1 -22 18 41 o 19.30709 1.232733  3.846073       0.4584581 3.393936       0.7304692 4.139924       0.5888851 -1.964479      2.465466  
1 1 1 -22 18 42 o 44.55163 0.9943563 19.93878       0.8818653 20.16496       1.315441  19.75414       1.188491  0.4359550      1.988713  
1 1 1 -22 18 43 o 24.09414 1.134867  5.930464       0.5265821 5.532055       0.8544700 6.174428       0.6686442 -1.376184      2.269735  
1 1 1 -22 18 44 o 41.28484 1.011038  17.21993       0.8305691 16.37699       1.219367  17.94953       1.134431  -1.923637      2.022076  
1 1 1 -22 18 45 o 9.495337 2.093964  0.8521622      0.4173310 1.175814       0.7451601 0.7042506      0.5037460 2.252556       4.187928  
1 1 1 -22 18 46 o 19.86509 1.347785  4.127881       0.5059296 3.541090       0.8332172 4.470574       0.6367507 -2.399275      2.695570  
1 1 1 -22 18 47 o 23.62599 1.208477  5.729277       0.5496517 5.286715       0.8894397 6.002711       0.6991267 -1.571920      2.416953  
1 1 1 -22 18 48 o 22.39875 1.268940  5.150886       0.5442406 4.788265       0.8935493 5.364747       0.6862100 -1.350119      2.537881  
1 1 1 -22 18 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 19 1  f 71.68884 1.309096  51.65367       1.876882  52.11747       2.652644  51.18869       2.655983  0.6482391      2.618192  
1 1 1 -22 19 2  o 41.82909 1.127400  17.34295       0.9372743 15.37589       1.247518  19.89236       1.420225  -5.378666      2.254800  
1 1 1 -22 19 3  o 86.82856 1.481065  75.69926       2.567463  73.19821       3.508046  78.58430       3.767730  -3.062500      2.962131  
1 1 1 -22 19 4  o 21.90000 1.388720  4.816330       0.6066795 4.352449       0.8424926 5.315947       0.8743423 -2.195354      2.777440  
1 1 1 -22 19 5  o 23.99063 3.249960  0.000000       0.000000  ?              ?         5.840154       1.559372  ?              ?         
1 1 1 -22 19 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 19 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 19 8  o 86.12629 2.074908  74.60959       3.574083  74.60959       3.574083  ?              ?         ?              ?         
1 1 1 -22 19 9  o 37.17910 1.119004  13.87247       0.8318368 14.23804       1.175606  13.50592       1.177186  0.9847488      2.238008  
1 1 1 -22 19 10 o 15.01138 1.786424  2.322124       0.5200724 2.624231       0.7311896 2.012798       0.7398741 2.264541       3.572847  
1 1 1 -22 19 11 o 92.17613 1.544290  85.35625       2.843490  88.64884       4.147777  82.43672       3.905734  3.333832       3.088580  
1 1 1 -22 19 12 o 14.09405 1.894312  2.045531       0.5226821 2.257008       0.7422364 1.837496       0.7361691 1.732920       3.788624  
1 1 1 -22 19 13 o 50.91817 0.6925521 25.79134       0.7023869 24.16483       0.9426415 27.82166       1.053174  -3.583401      1.385104  
1 1 1 -22 19 14 o 16.81817 0.6071347 2.815600       0.2034909 3.016521       0.3038576 2.652212       0.2740103 1.081282       1.214269  
1 1 1 -22 19 15 o 19.78785 0.6061229 3.949113       0.2379494 3.447011       0.3415485 4.422649       0.3316906 -2.465843      1.212246  
1 1 1 -22 19 16 o 30.82014 0.6061054 9.507282       0.3734067 9.557385       0.5375451 9.460559       0.5190917 0.1559391      1.212211  
1 1 1 -22 19 17 o 17.71663 1.315641  3.350924       0.4139208 3.632356       0.4965016 2.709587       0.7495092 2.636829       2.631283  
1 1 1 -22 19 18 o 7.879286 2.154500  0.4083291      0.4829615 0.3605963      0.6920664 0.4536428      0.6743014 -0.2199225     4.308999  
1 1 1 -22 19 19 o 12.71870 2.017078  1.700188       0.5054008 2.185578       0.7279400 1.248465       0.7022418 3.547573       4.034157  
1 1 1 -22 19 20 o 74.16684 1.339416  55.24192       1.985005  53.94862       2.738121  56.67453       2.881831  -1.817284      2.678832  
1 1 1 -22 19 21 o 52.84398 1.146819  28.03835       1.211991  28.24642       1.710187  27.82841       1.717867  0.3964653      2.293638  
1 1 1 -22 19 22 o 59.15001 1.198439  35.10720       1.416994  36.48777       2.042839  33.82701       1.967168  2.239105       2.396877  
1 1 1 -22 19 23 o 78.13141 1.177664  60.92463       1.695827  62.33418       3.081997  60.31257       2.030909  1.154938       2.355327  
1 1 1 -22 19 24 o 26.92173 1.085043  8.209457       0.4708730 5.681327       0.9372018 9.063126       0.5446003 -6.325665      2.170085  
1 1 1 -22 19 25 o 80.23460 1.041696  64.55202       1.647369  64.98604       2.560452  64.24547       2.151909  0.4101486      2.083392  
1 1 1 -22 19 26 o 49.15553 0.7221050 24.20677       0.7097893 23.61123       1.000295  24.81072       1.007330  -1.219460      1.444210  
1 1 1 -22 19 27 o 21.41366 0.7503738 4.370046       0.3129855 6.045451       0.5076897 3.342924       0.3975110 6.299616       1.500748  
1 1 1 -22 19 28 o 71.41896 0.8847213 51.15522       1.263662  51.38091       1.797053  50.93448       1.777286  0.3102036      1.769443  
1 1 1 -22 19 29 o 13.19245 1.050356  1.722541       0.2705505 1.861277       0.4395563 1.637924       0.3432814 0.8328161      2.100712  
1 1 1 -22 19 30 o 32.57526 0.6963301 10.64284       0.4522513 10.47921       0.6635438 10.78479       0.6180381 -0.4733810     1.392660  
1 1 1 -22 19 31 o 48.23739 0.7303663 23.31355       0.7042111 23.45666       1.014701  23.18057       0.9781166 0.2823753      1.460733  
1 1 1 -22 19 32 o 24.20232 0.7713373 5.920603       0.3688723 5.511002       0.5552899 6.244106       0.4934898 -1.521446      1.542675  
1 1 1 -22 19 33 o 70.92634 0.8873581 50.42713       1.257802  51.54656       1.821341  49.40649       1.739109  1.497879       1.774716  
1 1 1 -22 19 34 o 28.34049 0.7439412 8.121060       0.4178663 7.335951       0.6136546 8.799857       0.5705963 -2.587664      1.487882  
1 1 1 -22 19 35 o 50.29401 0.7602733 25.34985       0.7634851 25.60748       1.114642  25.12214       1.047908  0.4739952      1.520547  
1 1 1 -22 19 36 o 18.85937 0.9262513 3.661555       0.3387159 3.135291       0.5251916 4.036344       0.4432090 -2.401918      1.852503  
1 1 1 -22 19 37 o 15.22026 1.290738  2.617285       0.3378708 1.705658       0.5640447 3.127450       0.4219491 -4.865838      2.581476  
1 1 1 -22 19 38 o 50.27086 2.149340  0.000000       0.000000  ?              ?         25.56655       2.160984  ?              ?         
1 1 1 -22 19 39 o 25.43620 1.004737  6.386006       0.4966639 6.995369       0.8194331 6.032154       0.6244335 1.856745       2.009474  
1 1 1 -22 19 40 o 26.24386 1.044505  7.061585       0.5300889 6.361633       0.8424305 7.520378       0.6820381 -2.240206      2.089009  
1 1 1 -22 19 41 o 30.14676 0.9841652 9.079990       0.5810682 9.422557       0.9280362 8.859092       0.7452254 0.8983402      1.968330  
1 1 1 -22 19 42 o 7.363524 1.868905  0.1263573      0.3821145 1.032632       0.6619151 -0.3266292     0.4679667 5.234437       3.737810  
1 1 1 -22 19 43 f 24.81161 1.132250  6.313265       0.5388239 5.801581       0.8786113 6.621716       0.6821634 -1.700914      2.264501  
1 1 1 -22 19 44 o 41.64948 1.325930  17.27863       0.9474558 18.06108       1.938890  17.03318       1.085940  0.9857368      2.651860  
1 1 1 -22 19 45 o 13.77305 2.024760  0.000000       0.000000  ?              ?         1.923359       0.5577424 ?              ?         
1 1 1 -22 19 46 o 19.17840 2.816050  0.000000       0.000000  ?              ?         3.782013       1.080147  ?              ?         
1 1 1 -22 19 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 20 1  o 18.46287 1.630585  3.431893       0.6015828 3.287439       0.8304000 3.591442       0.8727090 -0.8154812     3.261171  
1 1 1 -22 20 2  o 51.88981 1.715971  0.000000       0.000000  ?              ?         27.05012       1.780829  ?              ?         
1 1 1 -22 20 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 20 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 20 5  o 65.92013 1.790064  43.66572       2.360025  43.66572       2.360025  ?              ?         ?              ?         
1 1 1 -22 20 6  o 88.41252 1.512231  78.70628       2.673823  78.69642       3.759493  78.71638       3.803607  -0.4188538E-02 3.024463  
1 1 1 -22 20 7  o 11.27567 2.219349  1.327003       0.5202941 1.465384       0.7355338 1.188417       0.7360804 1.056595       4.438699  
1 1 1 -22 20 8  o 52.36529 1.153132  27.53107       1.207625  27.60256       1.700909  27.45841       1.714856  0.1393356      2.306264  
1 1 1 -22 20 9  f 54.78948 1.174725  30.14950       1.286911  30.51265       1.806393  29.77522       1.833852  0.6763802      2.349449  
1 1 1 -22 20 10 o 50.41071 1.146092  25.46759       1.154173  24.62204       1.586408  26.41846       1.682305  -1.770153      2.292183  
1 1 1 -22 20 11 o 57.87456 1.197165  33.55051       1.383291  32.21772       1.889408  35.09021       2.030770  -2.463711      2.394330  
1 1 1 -22 20 12 o 33.09227 1.179769  10.78349       0.7713670 8.775390       1.019860  13.46785       1.179151  -7.070080      2.359539  
1 1 1 -22 20 13 o 38.23060 0.6141191 14.62616       0.4694326 14.89115       0.6736442 14.37601       0.6545245 0.6724739      1.228238  
1 1 1 -22 20 14 o 44.73804 0.6601099 19.76390       0.5861461 17.81594       0.7730677 22.39808       0.8989795 -5.112129      1.320220  
1 1 1 -22 20 15 o 90.47062 1.035416  82.10567       1.873270  82.96260       2.674466  81.28035       2.624645  0.9241028      2.070832  
1 1 1 -22 20 16 o 22.29440 0.6325409 5.011439       0.2786194 4.095815       0.3923500 5.942890       0.3957263 -4.142229      1.265082  
1 1 1 -22 20 17 o 8.590865 1.063501  0.7372653      0.1746115 0.8266658      0.2835352 0.6826444      0.2216238 0.6808453      2.127002  
1 1 1 -22 20 18 f 29.45044 0.6169524 8.691617       0.3628852 8.518067       0.5241391 8.851395       0.5029130 -0.5674076     1.233905  
1 1 1 -22 20 19 o 26.37813 0.6354482 6.744100       0.3298247 8.483552       0.5236461 5.600199       0.4246449 5.458109       1.270896  
1 1 1 -22 20 20 o 26.61243 0.6357166 7.055299       0.3368867 7.467834       0.5054474 6.725545       0.4518971 1.390587       1.271433  
1 1 1 -22 20 21 o 57.73664 0.7724097 33.12529       0.8871979 36.08178       1.341783  30.82865       1.182611  4.534290       1.544819  
1 1 1 -22 20 22 o 41.50827 0.6730130 17.21889       0.5575771 17.82404       0.8201544 16.69884       0.7603083 1.350380       1.346026  
1 1 1 -22 20 23 o 26.85805 0.6764248 7.216084       0.3618983 7.327999       0.5381928 7.123712       0.4889470 0.3760509      1.352850  
1 1 1 -22 20 24 o 32.97395 0.6759287 10.91575       0.4447028 10.18563       0.6345577 11.62043       0.6234002 -2.176649      1.351857  
1 1 1 -22 20 25 f 42.12631 0.6912488 17.76291       0.5816601 16.54576       0.8105276 19.05532       0.8352108 -2.976326      1.382498  
1 1 1 -22 20 26 o 88.62933 1.030885  78.63270       1.823058  82.23867       2.691632  75.57644       2.477987  3.728569       2.061770  
1 1 1 -22 20 27 o 23.87127 0.7339340 5.605320       0.3470348 6.539351       0.5374548 4.937435       0.4544774 3.346960       1.467868  
1 1 1 -22 20 28 f 38.83372 0.6980839 14.71106       0.5340682 17.53031       0.8496333 12.86946       0.6866929 5.984970       1.396168  
1 1 1 -22 20 29 o 64.03835 0.9096973 41.24151       1.155431  41.90686       1.544907  40.39694       1.740591  1.204720       1.819395  
1 1 1 -22 20 30 o 22.33229 0.8720378 4.978675       0.3879978 4.406016       0.5304033 5.637842       0.5690573 -2.753021      1.744076  
1 1 1 -22 20 31 o 15.20301 1.693608  2.720549       0.4197901 3.131389       0.4988056 1.723076       0.7772225 4.910642       3.387216  
1 1 1 -22 20 32 o 10.04172 1.938800  1.153768       0.3962755 1.366075       0.4616652 0.5594843      0.7723982 2.826289       3.877600  
1 1 1 -22 20 33 o 30.75385 1.025895  10.02638       0.5785610 11.02310       0.7125590 8.097954       0.9911459 4.802225       2.051790  
1 1 1 -22 20 34 o 15.23792 1.606760  1.996262       0.4391891 1.421553       0.5123982 3.587509       0.8526136 -7.166348      3.213519  
1 1 1 -22 20 35 o 62.29227 1.122801  39.49897       1.361676  41.20761       1.758713  36.94180       2.151540  3.500927       2.245602  
1 1 1 -22 20 36 o 37.18053 1.215291  14.09846       0.7987273 14.30120       0.9362735 13.55648       1.530831  1.126156       2.430582  
1 1 1 -22 20 37 o 25.45010 1.555380  6.518465       0.7916915 6.518465       0.7916915 ?              ?         ?              ?         
1 1 1 -22 20 38 o 15.65920 1.476053  2.490054       0.4606646 2.337391       0.6655335 2.630468       0.6382772 -0.9436970     2.952106  
1 1 1 -22 20 39 o 14.80653 1.562755  2.218749       0.4615652 2.275327       0.6812452 2.170738       0.6275585 0.3363628      3.125510  
1 1 1 -22 20 40 o 27.32503 1.024662  7.506691       0.5514404 7.559808       0.8592711 7.469497       0.7190411 0.1342564      2.049323  
1 1 1 -22 20 41 o 15.93323 1.403391  2.511129       0.4364182 2.835129       0.7147583 2.318540       0.5510654 1.570028       2.806783  
1 1 1 -22 20 42 o 29.63400 1.042502  8.991457       0.6042874 7.994433       0.9261080 9.730680       0.7974373 -2.959011      2.085003  
1 1 1 -22 20 43 o 40.65374 1.001033  16.66531       0.8089125 16.36756       1.206952  16.90813       1.089928  -0.6921921     2.002066  
1 1 1 -22 20 44 o 31.29193 1.034322  9.805988       0.6395437 10.24472       0.9929942 9.494997       0.8360282 1.157295       2.068644  
1 1 1 -22 20 45 f 18.61663 1.415138  3.735394       0.4910291 2.749335       0.7859342 4.366724       0.6288732 -4.395697      2.830277  
1 1 1 -22 20 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 21 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 21 2  o 36.96992 2.544135  13.82474       1.881129  13.82474       1.881129  ?              ?         ?              ?         
1 1 1 -22 21 3  o 12.74643 2.253963  1.761650       0.5974784 2.388733       0.8106895 1.016051       0.8839846 4.747837       4.507926  
1 1 1 -22 21 4  o 67.27257 1.293176  45.45152       1.738640  47.56217       2.514547  43.51817       2.406619  2.988617       2.586353  
1 1 1 -22 21 5  o 12.04416 2.273935  1.531278       0.5610600 1.716226       0.7804881 1.333503       0.8070981 1.401305       4.547871  
1 1 1 -22 21 6  o 84.10477 1.469805  71.25571       2.472265  71.27909       3.482032  71.23194       3.510766  0.3311157E-01  2.939610  
1 1 1 -22 21 7  o 27.98510 1.251193  7.852415       0.6993689 7.433768       0.9603912 8.325063       1.020453  -1.583464      2.502386  
1 1 1 -22 21 8  f 32.80823 1.196096  10.74239       0.7814260 12.24880       1.155146  9.471416       1.061048  4.219366       2.392192  
1 1 1 -22 21 9  o 39.55264 1.148711  15.71088       0.9085763 15.55376       1.272743  15.87416       1.297456  -0.4016533     2.297421  
1 1 1 -22 21 10 o 17.31309 1.659316  3.022218       0.5739204 2.828135       0.7992322 3.228846       0.8246568 -1.152231      3.318631  
1 1 1 -22 21 11 o 31.36845 1.200997  9.869682       0.7516573 10.87430       1.086571  8.947727       1.040907  3.064344       2.401994  
1 1 1 -22 21 12 o 53.27486 1.182842  28.51357       1.260234  28.95641       1.792066  28.08031       1.772574  0.8194885      2.365685  
1 1 1 -22 21 13 o 14.68436 0.5658304 2.149501       0.1651885 2.239244       0.2496003 2.079561       0.2203484 0.5417223      1.131661  
1 1 1 -22 21 14 o 88.69266 1.021907  78.94434       1.812665  78.65843       2.552534  79.23519       2.574599  -0.3223953     2.043813  
1 1 1 -22 21 15 f 26.52908 0.5905771 7.040305       0.3128291 7.149021       0.4572552 6.944648       0.4289175 0.3831272      1.181154  
1 1 1 -22 21 16 o 33.14465 0.6162658 10.97174       0.4076102 11.41075       0.6008933 10.59755       0.5547621 1.223209       1.232532  
1 1 1 -22 21 17 o 31.37757 0.6171481 9.748493       0.3849029 10.89456       0.5852717 8.875054       0.5109386 3.212267       1.234296  
1 1 1 -22 21 18 o 56.92885 0.7577533 32.44582       0.8622190 33.31909       1.246619  31.64496       1.193818  1.465229       1.515507  
1 1 1 -22 21 19 f 54.59079 0.7425202 29.86243       0.8106924 29.81309       1.147384  29.91162       1.145603  -0.9041977E-01 1.485040  
1 1 1 -22 21 20 o 29.11591 0.6386772 8.360809       0.3686997 9.510398       0.5688962 7.528248       0.4841386 3.396690       1.277354  
1 1 1 -22 21 21 o 56.02482 0.7577975 31.44799       0.8489536 31.88416       1.214876  31.03174       1.186819  0.7578850      1.515595  
1 1 1 -22 21 22 o 22.87859 0.7055604 5.117293       0.3189111 6.237058       0.4977531 4.337547       0.4153623 4.143394       1.411121  
1 1 1 -22 21 23 o 23.26373 0.7003909 5.280354       0.3214855 6.398348       0.5066812 4.526976       0.4159315 4.013386       1.400782  
1 1 1 -22 21 24 o 22.24844 0.7329758 5.026907       0.3217874 4.330136       0.4717576 5.633155       0.4400475 -2.931534      1.465952  
1 1 1 -22 21 25 o 25.89196 0.7076093 6.712436       0.3629736 6.754327       0.5533646 6.680801       0.4808784 0.1346684      1.415219  
1 1 1 -22 21 26 o 5.955514 1.522340  0.2986445      0.2366832 0.9186842E-01  0.4013765 0.4088740      0.2930561 -0.9278903     3.044680  
1 1 1 -22 21 27 f 39.49011 0.6941476 15.53862       0.5460048 16.56249       0.8181801 14.71654       0.7331359 2.328571       1.388295  
1 1 1 -22 21 28 o 13.22412 1.070861  1.787917       0.2717111 1.642490       0.4428120 1.875738       0.3441061 -0.8974524     2.141722  
1 1 1 -22 21 29 o 33.11836 0.7018428 10.78302       0.4596482 12.42299       0.7189605 9.649337       0.5977701 4.174063       1.403686  
1 1 1 -22 21 30 o 32.83969 0.7155734 10.80720       0.4682725 10.84976       0.6930459 10.77145       0.6352031 0.1123123      1.431147  
1 1 1 -22 21 31 o 27.63577 0.7567322 7.721969       0.4122562 6.192895       0.5803370 9.279632       0.5857371 -5.583973      1.513464  
1 1 1 -22 21 32 o 41.15407 0.7667788 17.00372       0.6217365 16.88321       0.9642838 17.08946       0.8133858 -0.2708893     1.533558  
1 1 1 -22 21 33 o 20.65028 0.9221845 3.904624       0.3630707 5.738970       0.6412357 3.039069       0.4404783 6.504341       1.844369  
1 1 1 -22 21 34 o 56.62569 0.9757461 32.08644       1.073830  32.78512       1.745945  31.66133       1.361875  0.9250603      1.951492  
1 1 1 -22 21 35 o 50.11859 0.9949027 25.27096       0.9963466 24.13136       1.413334  26.39683       1.404798  -2.261711      1.989805  
1 1 1 -22 21 36 o 49.27562 0.9980242 24.40850       0.9822494 22.72798       1.374155  26.16423       1.404565  -3.480770      1.996048  
1 1 1 -22 21 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 21 38 o 18.08518 1.300625  3.533049       0.4342377 2.592948       0.7086236 4.098342       0.5494972 -4.204247      2.601250  
1 1 1 -22 21 39 o 20.68662 1.177329  4.471187       0.4635644 3.741535       0.7455894 4.930984       0.5918683 -2.914042      2.354657  
1 1 1 -22 21 40 o 35.12695 0.9867800 12.51782       0.6873804 11.06948       0.9959765 13.83516       0.9498673 -3.946724      1.973560  
1 1 1 -22 21 41 o 25.36087 1.095110  6.657302       0.5379342 5.620671       0.8316388 7.403042       0.7053685 -3.545351      2.190221  
1 1 1 -22 21 42 o 32.51273 0.9957428 10.64379       0.6404316 10.64484       0.9805105 10.64300       0.8457685 -0.3018570E-01 1.991486  
1 1 1 -22 21 43 o 25.25635 1.097112  6.041162       0.5370335 8.399095       0.8980513 4.728577       0.6700380 7.204222       2.194223  
1 1 1 -22 21 44 o 26.14212 1.579860  7.803002       0.6838691 5.354451       1.300682  8.738494       0.8039635 -6.646719      3.159720  
1 1 1 -22 22 1  o 34.24123 1.238415  11.81721       0.8462259 12.25730       1.173129  11.33981       1.221845  1.347984       2.476829  
1 1 1 -22 22 2  o 67.02959 1.308243  45.02496       1.748343  42.81998       2.361784  47.69814       2.600477  -3.596275      2.616486  
1 1 1 -22 22 3  o 34.67233 1.220218  12.13741       0.8427157 13.11584       1.176414  11.10615       1.207764  2.903294       2.440435  
1 1 1 -22 22 4  o 12.21054 2.318451  1.577397       0.5816066 1.780830       0.8094311 1.360257       0.8362566 1.512284       4.636902  
1 1 1 -22 22 5  o 38.11977 1.188459  14.59054       0.9051092 15.57379       1.303794  13.67589       1.257497  2.481968       2.376917  
1 1 1 -22 22 6  o 22.01709 1.488228  4.889315       0.6549764 4.919451       0.9130656 4.857368       0.9400778 0.1463947      2.976457  
1 1 1 -22 22 7  o 78.26892 1.419187  61.44390       2.214211  58.42549       2.987479  65.12301       3.298272  -4.219353      2.838373  
1 1 1 -22 22 8  f 44.21339 1.179856  19.63396       1.042620  20.66380       1.497083  18.66403       1.452884  2.254520       2.359711  
1 1 1 -22 22 9  o 42.27594 1.175430  17.89313       0.9915479 16.91419       1.347381  19.04956       1.464443  -2.507118      2.350859  
1 1 1 -22 22 10 o 76.03304 1.390169  58.05382       2.110266  61.28859       3.098635  55.25579       2.881874  3.926903       2.780338  
1 1 1 -22 22 11 o 58.13496 1.233548  33.99530       1.433839  34.15917       2.006793  33.82440       2.049388  0.2949638      2.467097  
1 1 1 -22 22 12 f 79.39188 1.425252  63.50378       2.262831  64.56223       3.227445  62.48041       3.173490  1.300774       2.850503  
1 1 1 -22 22 13 o 31.04319 0.5774817 9.642548       0.3584137 9.334605       0.4997527 9.968688       0.5143076 -1.020159      1.154963  
1 1 1 -22 22 14 o 63.55801 0.8002199 40.49279       1.017161  40.26631       1.430299  40.72453       1.446810  -0.3586884     1.600440  
1 1 1 -22 22 15 o 52.15908 0.7170125 27.24064       0.7477009 26.55253       1.040488  27.97541       1.075183  -1.360603      1.434025  
1 1 1 -22 22 16 o 5.670026 1.244512  0.3053935      0.1531069 0.4036963      0.2485554 0.2452864      0.1943582 1.232584       2.489024  
1 1 1 -22 22 17 o 9.487036 0.9621270 0.9054672      0.1786756 0.8922877      0.2822748 0.9142780      0.2307979 -0.1226130     1.924254  
1 1 1 -22 22 18 o 44.83392 0.6819316 20.11071       0.6110371 19.15143       0.8478260 21.14754       0.8814269 -2.222977      1.363863  
1 1 1 -22 22 19 o 23.21595 0.6493830 5.337474       0.2990525 5.867858       0.4600083 4.949232       0.3935696 1.972427       1.298766  
1 1 1 -22 22 20 f 66.85572 0.8408327 44.81226       1.124134  44.13164       1.573898  45.52103       1.606122  -1.035248      1.681665  
1 1 1 -22 22 21 o 23.74439 0.6679771 5.664397       0.3155637 5.473230       0.4662559 5.825977       0.4286599 -0.7464199     1.335954  
1 1 1 -22 22 22 o 44.80840 0.7017746 20.11482       0.6287258 19.44490       0.8829039 20.80405       0.8955358 -1.515327      1.403549  
1 1 1 -22 22 23 o 25.75296 0.6926151 6.633529       0.3546244 6.751333       0.5333686 6.540192       0.4747613 0.4039936      1.385230  
1 1 1 -22 22 24 o 28.25641 0.6835443 7.975340       0.3845516 8.248207       0.5756481 7.755429       0.5167785 0.8660088      1.367089  
1 1 1 -22 22 25 o 11.22316 1.340065  1.610065       0.2617002 0.4977951      0.4201492 2.315148       0.3345172 -7.944982      2.680130  
1 1 1 -22 22 26 o 44.23776 0.7155492 19.62575       0.6326731 19.26210       0.9059713 19.97190       0.8839064 -0.8047905     1.431098  
1 1 1 -22 22 27 o 48.28011 0.7381439 23.36475       0.7125159 23.57777       1.022825  23.16391       0.9931299 0.4249001      1.476288  
1 1 1 -22 22 28 o 27.12244 0.7280878 7.255382       0.3912672 8.283637       0.6059802 6.520215       0.5123906 3.238947       1.456176  
1 1 1 -22 22 29 o 20.65158 0.8636425 4.313742       0.3451633 4.146142       0.5584858 4.417325       0.4390546 -0.6745338     1.727285  
1 1 1 -22 22 30 o 43.49509 0.7701519 18.84511       0.6594678 19.68810       1.037663  18.27391       0.8541502 1.600777       1.540304  
1 1 1 -22 22 31 o 26.94725 0.8695582 7.413412       0.4532055 6.764115       0.7230924 7.833494       0.5816200 -2.005846      1.739116  
1 1 1 -22 22 32 o 37.88722 0.9028003 14.25846       0.6770437 15.47539       1.050481  13.39377       0.8854903 2.719578       1.805601  
1 1 1 -22 22 33 o 62.18021 1.105486  38.84763       1.371192  39.91459       2.024456  37.94329       1.863807  1.550774       2.210971  
1 1 1 -22 22 34 o 37.13219 0.9212443 13.87145       0.6802256 13.68405       1.014198  14.02468       0.9170848 -0.4764481     1.842489  
1 1 1 -22 22 35 o 48.78703 0.9874680 23.48834       0.9486038 26.43046       1.508815  21.56525       1.219847  4.928051       1.974936  
1 1 1 -22 22 36 o 9.059967 1.976038  0.7829589      0.3754004 1.061058       0.6586988 0.6491814      0.4568550 2.067285       3.952075  
1 1 1 -22 22 37 o 30.13795 0.9839897 9.303824       0.5821441 7.891218       0.8647615 10.47452       0.7872402 -4.302454      1.967979  
1 1 1 -22 22 38 o 20.09160 1.167864  4.106093       0.4522896 3.936748       0.7380625 4.207931       0.5723498 -0.7173996     2.335727  
1 1 1 -22 22 39 o 18.83415 1.469219  4.151033       0.4612966 2.122689       0.7233894 5.541126       0.5988572 -9.285881      2.938438  
1 1 1 -22 22 40 o 18.55645 1.256766  3.425319       0.4555678 3.736291       0.7401490 3.235652       0.5780360 1.298904       2.513532  
1 1 1 -22 22 41 o 18.37798 1.279929  3.421958       0.4521250 3.397086       0.7494860 3.436188       0.5668890 -0.1642399     2.559858  
1 1 1 -22 22 42 o 7.677660 1.997885  0.4990159      0.4001456 0.2054027      0.7086890 0.6364292      0.4848219 -0.6861520     3.995770  
1 1 1 -22 22 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 23 1  o 39.62587 1.235050  15.67731       0.9748497 14.35437       1.310140  17.31832       1.459159  -3.712898      2.470101  
1 1 1 -22 23 2  o 8.634150 2.303279  0.4245262      0.5846508 1.015414       0.8221498 -0.1799843     0.8315728 3.183065       4.606559  
1 1 1 -22 23 3  o 54.39268 1.236560  29.76693       1.344965  30.55511       1.915289  29.00014       1.889117  1.424656       2.473120  
1 1 1 -22 23 4  o 90.10828 1.563318  81.98333       2.816824  83.63485       4.031167  80.40755       3.937660  1.769470       3.126636  
1 1 1 -22 23 5  o 33.45161 1.249143  11.21784       0.8331125 12.54486       1.217040  10.04768       1.142854  3.719093       2.498286  
1 1 1 -22 23 6  o 71.57516 1.356369  51.61664       1.941599  52.02796       2.745658  51.20521       2.746013  0.5748138      2.712738  
1 1 1 -22 23 7  o 44.68335 1.191228  20.08074       1.064334  20.64640       1.511512  19.52443       1.498958  1.253319       2.382455  
1 1 1 -22 23 8  o 42.16233 1.199226  17.71519       1.006546  15.99338       1.349645  19.87305       1.510908  -4.573074      2.398451  
1 1 1 -22 23 9  o 13.55062 2.211997  1.942663       0.5887681 1.665076       0.8205261 2.237276       0.8453146 -2.029426      4.423994  
1 1 1 -22 23 10 o 66.97496 1.309019  45.15467       1.752872  44.64206       2.442998  45.69860       2.516508  -0.7749405     2.618038  
1 1 1 -22 23 11 o 18.64149 1.692959  3.549592       0.6242146 3.011972       0.8958322 4.056967       0.8702683 -2.809038      3.385919  
1 1 1 -22 23 12 o 30.22350 1.256441  9.167992       0.7582995 8.740005       1.037649  9.658525       1.110888  -1.506252      2.512882  
1 1 1 -22 23 13 o 35.19209 0.6020850 12.39553       0.4235710 12.64209       0.6105074 12.16669       0.5881571 0.6734886      1.204170  
1 1 1 -22 23 14 o 24.10267 0.5787377 5.815423       0.2784373 5.848495       0.4072260 5.786388       0.3815649 0.1266766      1.157475  
1 1 1 -22 23 15 o 30.21417 0.6024351 9.089538       0.3626763 9.746284       0.5423582 8.558325       0.4877762 1.961096       1.204870  
1 1 1 -22 23 16 f 52.17902 0.7268596 27.24991       0.7579201 26.41975       1.046355  28.16625       1.099327  -1.667934      1.453719  
1 1 1 -22 23 17 f 46.37796 0.6912771 21.42919       0.6389858 23.02147       0.9533883 20.13060       0.8609849 3.107277       1.382554  
1 1 1 -22 23 18 f 29.71251 0.6310438 8.809477       0.3735462 9.206742       0.5578639 8.486582       0.5029428 1.206774       1.262088  
1 1 1 -22 23 19 o 71.76182 0.8831196 51.66695       1.267478  51.72129       1.796017  51.61304       1.788972  0.7449341E-01  1.766239  
1 1 1 -22 23 20 o 32.05547 0.6504105 10.07951       0.4119253 11.71869       0.6470340 8.962347       0.5341603 4.288097       1.300821  
1 1 1 -22 23 21 o 47.45578 0.7138010 22.57208       0.6773435 21.97949       0.9550468 23.17183       0.9607957 -1.255615      1.427602  
1 1 1 -22 23 22 o 21.57956 0.7417323 4.482460       0.3136539 5.860201       0.5041329 3.612334       0.4006381 5.195766       1.483465  
1 1 1 -22 23 23 o 52.13590 0.7538010 27.24082       0.7857698 26.39388       1.097602  28.13122       1.125412  -1.662617      1.507602  
1 1 1 -22 23 24 o 32.95910 0.6909692 10.88821       0.4542267 10.89330       0.6675828 10.88383       0.6198202 0.8621216E-02  1.381938  
1 1 1 -22 23 25 o 27.92080 0.7097884 7.806942       0.3941550 7.893047       0.5908079 7.737880       0.5291188 0.2701759      1.419577  
1 1 1 -22 23 26 o 50.00686 0.7910216 25.17758       0.7881850 23.38455       1.135586  26.84430       1.094854  -3.464935      1.582043  
1 1 1 -22 23 27 o 18.92028 0.8987415 3.495686       0.3321633 4.046356       0.5444100 3.169124       0.4192404 2.298296       1.797483  
1 1 1 -22 23 28 o 23.97686 0.8774925 5.859832       0.4022630 5.457613       0.6636057 6.093483       0.5057817 -1.350437      1.754985  
1 1 1 -22 23 29 o 53.05743 0.9933231 28.19023       1.049106  29.34630       1.573946  27.26599       1.407319  1.929783       1.986646  
1 1 1 -22 23 30 o 36.35503 0.8821241 13.30918       0.6381496 12.87451       0.9423659 13.67733       0.8672642 -1.116894      1.764248  
1 1 1 -22 23 31 o 31.15991 0.8962140 9.845513       0.5529660 8.498659       0.7974274 11.09303       0.7674575 -4.168278      1.792428  
1 1 1 -22 23 32 o 24.75081 0.9560192 6.195441       0.4658735 5.930607       0.7168223 6.389108       0.6129858 -0.9460468     1.912038  
1 1 1 -22 23 33 o 28.47763 0.9606848 8.304265       0.5325237 6.139612       0.7545882 10.45195       0.7516249 -7.572037      1.921370  
1 1 1 -22 23 34 o 62.57306 1.117014  39.36391       1.393233  40.62549       2.069293  38.31778       1.884328  1.797802       2.234029  
1 1 1 -22 23 35 o 17.15636 1.225764  2.841207       0.4042296 3.440438       0.6963327 2.536628       0.4964431 2.579909       2.451528  
1 1 1 -22 23 36 o 44.07919 0.9724530 19.28809       0.8457239 21.07729       1.330516  18.07510       1.095513  3.353931       1.944906  
1 1 1 -22 23 37 o 21.08846 1.134566  4.408776       0.4614400 4.769600       0.7742577 4.210019       0.5746441 1.273844       2.269132  
1 1 1 -22 23 38 o 34.53135 0.9692004 12.05938       0.6598638 11.64824       1.012994  12.36243       0.8696893 -1.068455      1.938401  
1 1 1 -22 23 39 o 31.27130 0.9960034 9.845644       0.6118105 9.856000       0.9601043 9.838564       0.7938674 -0.1317978E-01 1.992007  
1 1 1 -22 23 40 o 44.12860 1.006389  19.66892       0.8836192 18.95986       1.304024  20.27088       1.201514  -1.510693      2.012779  
1 1 1 -22 23 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 24 1  o 41.22453 1.236176  17.09553       1.018422  16.44736       1.407193  17.80844       1.475787  -1.636204      2.472352  
1 1 1 -22 24 2  o 33.40963 1.272606  11.17033       0.8473287 10.10828       1.146259  12.44983       1.258149  -3.480181      2.545212  
1 1 1 -22 24 3  o 47.14062 1.240510  22.38575       1.168847  23.40875       1.660373  21.38072       1.645724  2.148026       2.481019  
1 1 1 -22 24 4  o 75.63615 1.416277  57.69469       2.140599  56.71115       2.956736  58.77801       3.103091  -1.332375      2.832554  
1 1 1 -22 24 5  o 44.50356 1.235756  19.76642       1.094559  22.61270       1.632509  17.44198       1.475286  5.778000       2.471513  
1 1 1 -22 24 6  o 12.09007 2.426119  1.526006       0.6218169 1.185448       0.8656954 1.888985       0.8937389 -2.457411      4.852239  
1 1 1 -22 24 7  o 43.21955 1.213016  18.67217       1.044302  21.14139       1.545994  16.60001       1.416252  5.228954       2.426033  
1 1 1 -22 24 8  o 36.51168 1.249089  13.42330       0.9119989 13.72957       1.294233  13.12123       1.285336  0.8313293      2.498177  
1 1 1 -22 24 9  o 44.50325 1.220016  19.92620       1.085555  20.61905       1.553637  19.26527       1.517418  1.514050       2.440031  
1 1 1 -22 24 10 o 44.13132 1.208966  19.59802       1.066939  19.31302       1.494964  19.89387       1.523190  -0.6527290     2.417932  
1 1 1 -22 24 11 o 34.67920 1.253015  12.01171       0.8641102 10.37681       1.169429  13.97790       1.282449  -5.169697      2.506031  
1 1 1 -22 24 12 o 22.16053 1.560759  4.941205       0.6850739 5.962850       1.005703  4.056728       0.9357559 4.283491       3.121518  
1 1 1 -22 24 13 o 74.74028 1.171661  57.13652       1.636980  53.53170       2.832026  58.94526       2.006056  -3.773308      2.343322  
1 1 1 -22 24 14 o 45.48635 0.6805203 20.44636       0.6139786 23.01000       0.9454873 18.57699       0.8073717 4.857601       1.361041  
1 1 1 -22 24 15 o 27.79780 0.6024250 7.720400       0.3341518 8.019932       0.4928651 7.465598       0.4545777 0.9932747      1.204850  
1 1 1 -22 24 16 o 55.38469 1.081352  30.03882       1.121428  33.12589       2.012767  28.64913       1.350456  3.922127       2.162704  
1 1 1 -22 24 17 o 53.67957 0.7422926 28.88648       0.7967833 29.15915       1.139342  28.62547       1.114705  0.4939690      1.484585  
1 1 1 -22 24 18 f 12.21987 0.8576540 1.425065       0.2043983 1.911895       0.3347451 1.135646       0.2581007 3.164774       1.715308  
1 1 1 -22 24 19 o 17.43873 0.7266012 2.976122       0.2493725 3.459167       0.3983733 2.664884       0.3197733 2.267328       1.453202  
1 1 1 -22 24 20 o 11.94139 1.074428  1.580751       0.2265345 1.053227       0.3633793 1.916098       0.2897251 -3.764097      2.148857  
1 1 1 -22 24 21 o 31.62861 0.6903794 9.518594       0.4222177 12.07701       0.7184565 8.168882       0.5218373 6.154125       1.380759  
1 1 1 -22 24 22 o 21.46234 0.7703041 4.602355       0.3220073 4.696867       0.5204614 4.543741       0.4098711 0.3417759      1.540608  
1 1 1 -22 24 23 o 51.08062 0.8217072 25.88785       0.8320438 28.32427       1.283528  24.12192       1.092739  4.085629       1.643414  
1 1 1 -22 24 24 o 26.06392 0.8114952 6.887517       0.4101094 6.511376       0.6572680 7.127322       0.5248019 -1.200687      1.622990  
1 1 1 -22 24 25 o 41.05013 0.8764037 16.94566       0.7173519 16.53230       1.048822  17.30901       0.9833204 -0.9566002     1.752807  
1 1 1 -22 24 26 o 43.05679 0.8944377 18.55022       0.7661495 19.25694       1.152855  17.99121       1.025321  1.448162       1.788875  
1 1 1 -22 24 27 o 31.50138 0.8614628 10.05318       0.5378452 8.844727       0.7798132 11.14961       0.7427925 -3.664597      1.722926  
1 1 1 -22 24 28 o 34.42339 0.8649601 11.77599       0.5886516 12.68866       0.9170163 11.13633       0.7677019 2.229023       1.729920  
1 1 1 -22 24 29 o 37.16964 0.9017255 13.93182       0.6666095 12.25621       0.9432514 15.60372       0.9422057 -4.503197      1.803451  
1 1 1 -22 24 30 o 11.51003 1.582245  1.427274       0.3345139 1.204964       0.5740529 1.541575       0.4116229 -1.708745      3.164489  
1 1 1 -22 24 31 o 46.52991 0.9582767 21.81316       0.8900528 20.99109       1.283336  22.57504       1.235477  -1.712311      1.916553  
1 1 1 -22 24 32 o 44.04906 0.9469167 19.54451       0.8322575 18.04203       1.178658  21.03850       1.175328  -3.401981      1.893833  
1 1 1 -22 24 33 f 32.17103 0.9220462 10.47923       0.5865791 9.845982       0.8830114 10.97938       0.7847512 -1.781599      1.844092  
1 1 1 -22 24 34 o 44.44955 0.9596928 19.90887       0.8499507 19.46876       1.249674  20.28771       1.159418  -0.9411430     1.919386  
1 1 1 -22 24 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 24 36 o 24.47175 1.027273  6.015093       0.4927704 6.127389       0.7816182 5.941017       0.6348247 0.3428764      2.054547  
1 1 1 -22 24 37 o 36.00613 0.9474277 12.84537       0.6718304 14.15905       1.065276  11.97781       0.8656974 2.982536       1.894855  
1 1 1 -22 24 38 o 34.12664 0.9671417 11.71415       0.6513503 11.77527       1.007448  11.67026       0.8537991 0.1171074      1.934283  
1 1 1 -22 25 1  o 57.18813 1.608570  33.00361       1.738033  33.52834       3.006015  32.74010       2.130189  0.4406052      3.217139  
1 1 1 -22 25 2  o 49.63269 1.280396  24.84025       1.270803  25.24277       1.793237  24.43416       1.801162  0.8163910      2.560792  
1 1 1 -22 25 3  o 33.00934 1.384417  10.95859       0.9122235 10.21793       1.246648  11.81226       1.338390  -2.392496      2.768834  
1 1 1 -22 25 4  o 73.81675 1.413546  54.86054       2.083413  58.18591       3.054662  51.96814       2.848872  4.160248       2.827093  
1 1 1 -22 25 5  o 15.73753 2.193700  2.620000       0.6656388 2.516606       0.9409319 2.723579       0.9417794 -0.6656332     4.387399  
1 1 1 -22 25 6  o 48.51768 1.256270  23.51113       1.213478  26.54222       1.815931  21.06555       1.631139  5.603062       2.512539  
1 1 1 -22 25 7  o 20.01687 1.765533  4.069098       0.7067861 4.060492       1.002969  4.077587       0.9961591 -0.4482269E-01 3.531067  
1 1 1 -22 25 8  o 22.58311 1.587387  5.169236       0.7153965 5.583831       1.015216  4.760298       1.008267  1.821402       3.174774  
1 1 1 -22 25 9  o 11.87632 2.475384  1.473773       0.6299695 1.684449       0.9036738 1.274592       0.8786750 1.429874       4.950768  
1 1 1 -22 25 10 o 56.78465 1.272933  32.47902       1.444734  31.80672       2.000455  33.21197       2.088726  -1.217541      2.545866  
1 1 1 -22 25 11 o 45.13230 1.233503  20.52616       1.113185  21.02178       1.575184  20.03168       1.573380  1.096489       2.467006  
1 1 1 -22 25 12 f 58.58010 1.287742  34.45864       1.505346  32.48445       2.047168  36.78283       2.221232  -3.629269      2.575484  
1 1 1 -22 25 13 o 60.23180 0.8380256 35.95525       0.9940252 38.90299       1.572281  33.99254       1.282961  4.033535       1.676051  
1 1 1 -22 25 14 o 64.14699 0.8703895 41.36064       1.112010  40.64838       1.641642  41.96455       1.511631  -1.045841      1.740779  
1 1 1 -22 25 15 o 75.41589 0.9822787 56.19755       1.448307  61.54781       2.349433  52.91822       1.839367  5.632828       1.964557  
1 1 1 -22 25 16 o 28.15021 1.232220  8.133184       0.6249486 8.339129       0.7433141 7.636538       1.154302  1.334711       2.464440  
1 1 1 -22 25 17 o 48.44218 0.8849645 23.56694       0.8399311 23.59879       1.084532  23.51920       1.327707  0.1202774      1.769929  
1 1 1 -22 25 18 o 29.54259 1.356147  9.403101       0.6061068 9.756095       0.6737242 7.904608       1.388116  3.291939       2.712294  
1 1 1 -22 25 19 o 62.99101 2.521986  0.000000       0.000000  ?              ?         40.32865       3.177248  ?              ?         
1 1 1 -22 25 20 f 31.15757 2.438066  0.000000       0.000000  ?              ?         9.859316       1.519284  ?              ?         
1 1 1 -22 25 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 25 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 25 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 25 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 25 25 o 15.47698 2.412209  0.000000       0.000000  ?              ?         2.435139       0.7466739 ?              ?         
1 1 1 -22 25 26 o 40.54351 1.798063  0.000000       0.000000  ?              ?         16.59585       1.457996  ?              ?         
1 1 1 -22 25 27 o 20.71476 1.234778  0.000000       0.000000  ?              ?         4.311498       0.5115628 ?              ?         
1 1 1 -22 25 28 o 41.67389 1.232149  0.000000       0.000000  ?              ?         17.45028       1.026969  ?              ?         
1 1 1 -22 25 29 o 13.70132 1.578268  0.000000       0.000000  ?              ?         1.891832       0.4324871 ?              ?         
1 1 1 -22 25 30 o 23.82710 1.229447  0.000000       0.000000  ?              ?         5.704491       0.5858830 ?              ?         
1 1 1 -22 25 31 o 19.20018 1.385519  0.000000       0.000000  ?              ?         3.709561       0.5320444 ?              ?         
1 1 1 -22 25 32 o 30.56808 1.894004  0.000000       0.000000  ?              ?         9.457734       1.157921  ?              ?         
1 1 1 -22 25 33 f 15.99041 2.899578  0.000000       0.000000  ?              ?         2.708630       0.8931742 ?              ?         
1 1 1 -22 25 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 25 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 25 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 26 13 o 44.08469 0.7919472 19.44231       0.6967421 20.37100       1.027238  18.65105       0.9481868 1.938587       1.583894  
1 1 1 -22 26 14 o 56.72534 0.9543134 32.21680       1.079587  33.90989       1.601625  30.80700       1.461510  2.708862       1.908627  
1 1 1 -22 26 15 o 23.90671 0.6589409 5.694447       0.3133501 6.048908       0.4734241 5.418097       0.4180179 1.312120       1.317882  
1 1 1 -22 26 16 o 29.33006 0.6979877 8.519843       0.4057727 9.403947       0.6267509 7.881846       0.5324183 2.581709       1.395975  
1 1 1 -22 26 17 o 50.43028 0.8957666 25.52613       0.9025544 25.98823       1.310947  25.10971       1.244457  0.8591576      1.791533  
1 1 1 -22 26 18 o 40.59994 0.8025405 16.35011       0.6461018 17.99416       0.9956482 15.15418       0.8491824 3.474026       1.605081  
1 1 1 -22 26 19 o 13.90821 0.9074381 1.816403       0.2436318 2.493245       0.4156473 1.462147       0.3007049 3.685764       1.814876  
1 1 1 -22 26 20 o 9.927020 1.282084  1.072284       0.2311734 0.8469819      0.3925043 1.191948       0.2860509 -1.926931      2.564167  
1 1 1 -22 26 21 o 12.39624 1.212903  1.752601       0.2604051 1.032994       0.4137795 2.224515       0.3350831 -4.980702      2.425806  
1 1 1 -22 26 22 f 32.63715 0.7909694 10.70247       0.5136931 10.59947       0.7639021 10.78750       0.6940541 -0.3001900     1.581939  
1 1 1 -22 26 23 o 22.27564 0.8844535 5.128381       0.3824120 3.905204       0.5598658 6.198145       0.5235804 -5.153721      1.768907  
1 1 1 -22 26 24 o 47.67326 0.9197728 22.84326       0.8764385 21.76691       1.229526  23.95515       1.249662  -2.290928      1.839546  
1 1 1 -22 26 25 o 58.06167 1.030395  33.94264       1.196223  33.45295       1.702777  34.41980       1.680867  -0.8375740     2.060790  
1 1 1 -22 26 26 o 29.25103 0.8631453 8.676427       0.4996184 7.894297       0.7410983 9.328059       0.6764528 -2.463167      1.726291  
1 1 1 -22 26 27 o 29.99279 0.8578913 8.969531       0.5083886 9.469169       0.7912040 8.618183       0.6634820 1.393579       1.715783  
1 1 1 -22 26 28 o 23.01377 0.9311048 5.373312       0.4197716 5.081024       0.6538582 5.578241       0.5474960 -1.103355      1.862210  
1 1 1 -22 26 29 o 14.44456 1.337907  2.281256       0.3468220 1.683738       0.5626734 2.647365       0.4404386 -3.548862      2.675813  
1 1 1 -22 26 30 o 19.31362 1.095017  3.878140       0.4055279 3.291221       0.6444141 4.262965       0.5218043 -2.548746      2.190033  
1 1 1 -22 26 31 o 14.06941 1.361234  2.039310       0.3616385 1.896626       0.6115367 2.116041       0.4484564 -0.8334141     2.722468  
1 1 1 -22 26 32 o 37.27951 0.9251324 14.03732       0.6862378 12.50475       0.9759198 15.53623       0.9651437 -4.068298      1.850265  
1 1 1 -22 26 33 o 27.23088 1.289893  0.000000       0.000000  ?              ?         7.459484       0.7024982 ?              ?         
1 1 1 -22 27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 27 13 f 11.32038 0.7238683 1.379776       0.1499611 0.7741240      0.2178441 1.925285       0.2067450 -5.086088      1.447737  
1 1 1 -22 27 14 f 6.106907 1.112974  0.3959295      0.1346234 0.3478833      0.2212074 0.4241925      0.1696601 -0.5287194     2.225948  
1 1 1 -22 27 15 o 27.86671 0.6722276 7.658227       0.3708558 8.709122       0.5768754 6.917983       0.4841616 3.199808       1.344455  
1 1 1 -22 27 16 f 51.09129 0.8994232 26.23625       0.9188151 26.25395       1.314643  26.21935       1.284677  0.2783966E-01  1.798846  
1 1 1 -22 27 17 o 8.559981 1.171659  0.8282397      0.1841219 0.5319843      0.3056926 0.9969016      0.2306536 -2.807108      2.343319  
1 1 1 -22 27 18 o 50.72938 0.9070872 25.73351       0.9162531 27.23245       1.375222  24.53699       1.228680  2.627342       1.814174  
1 1 1 -22 27 19 o 33.37000 0.7582456 11.19435       0.5051123 10.76319       0.7276253 11.59539       0.7017508 -1.251240      1.516491  
1 1 1 -22 27 20 o 28.08287 0.7470248 7.761771       0.4140303 8.847631       0.6532859 7.032846       0.5352515 3.211529       1.494050  
1 1 1 -22 27 21 o 33.96306 0.7841488 11.60588       0.5312259 11.13454       0.7699363 12.03412       0.7338927 -1.330692      1.568298  
1 1 1 -22 27 22 f 40.21243 0.8352259 16.15719       0.6676224 16.99248       1.011121  15.51155       0.8889546 1.818024       1.670452  
1 1 1 -22 27 23 o 12.54403 1.189443  1.502120       0.2890917 1.959921       0.4887899 1.255822       0.3585206 2.770209       2.378885  
1 1 1 -22 27 24 o 4.884635 1.485773  -0.1424311     0.2554432 0.2111375      0.4446648 -0.3165823     0.3120751 2.499346       2.971546  
1 1 1 -22 27 25 o 14.23359 1.170420  2.112414       0.3164151 1.807595       0.5152208 2.296998       0.4009310 -1.751420      2.340840  
1 1 1 -22 27 26 o 18.98199 1.060179  3.877688       0.3733932 2.371220       0.5512516 5.154843       0.5075650 -7.343156      2.120359  
1 1 1 -22 27 27 o 26.99287 0.8795735 7.273665       0.4677596 7.620220       0.7344850 7.037203       0.6067044 1.052105       1.759147  
1 1 1 -22 27 28 f 38.85525 0.8850136 15.21789       0.6858166 14.47794       0.9917426 15.89604       0.9494233 -1.833969      1.770027  
1 1 1 -22 27 29 o 29.64700 0.8882126 8.888766       0.5222391 8.386610       0.7776242 9.301324       0.7048432 -1.558680      1.776425  
1 1 1 -22 27 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 28 13 o 39.84558 0.7441054 15.93271       0.5928805 16.00022       0.8472767 15.86794       0.8299121 0.1630173      1.488211  
1 1 1 -22 28 14 o 60.33552 1.001447  36.64213       1.208434  36.33755       1.704181  36.95017       1.713829  -0.5054398     2.002895  
1 1 1 -22 28 15 f 6.145771 1.229900  0.3854863      0.1535359 0.4093891      0.2557554 0.3720182      0.1919781 0.3541260      2.459799  
1 1 1 -22 28 16 o 38.88505 0.7696893 15.17210       0.5979214 15.34847       0.8684632 15.01317       0.8244311 0.4231262      1.539379  
1 1 1 -22 28 17 o 42.44232 0.8154535 18.03776       0.6898670 18.75888       1.026013  17.44275       0.9319886 1.532108       1.630907  
1 1 1 -22 28 18 o 41.41065 0.8144072 17.19104       0.6724914 17.67349       0.9957118 16.78640       0.9118986 1.054417       1.628814  
1 1 1 -22 28 19 o 39.57372 0.8043936 15.66360       0.6339241 16.44160       0.9498113 15.03866       0.8512698 1.752811       1.608787  
1 1 1 -22 28 20 o 19.79486 0.7959566 3.811177       0.3083583 4.547059       0.5034670 3.369425       0.3900830 2.951761       1.591913  
1 1 1 -22 28 21 o 26.24135 0.7702877 6.793443       0.3977763 7.578733       0.6334659 6.282223       0.5111068 2.446651       1.540575  
1 1 1 -22 28 22 o 43.68443 0.8718914 19.18624       0.7598804 19.16156       1.114007  19.20771       1.039159  -0.6893158E-01 1.743783  
1 1 1 -22 28 23 o 22.38199 0.8661104 5.080429       0.3796183 4.799302       0.5917835 5.277003       0.4948498 -1.087448      1.732221  
1 1 1 -22 28 24 o 39.30478 0.8601274 15.52876       0.6732170 15.52236       0.9994147 15.53407       0.9108779 -0.3361893E-01 1.720255  
1 1 1 -22 28 25 o 58.28773 1.043621  34.22612       1.215996  32.73558       1.703234  35.77564       1.736607  -2.599022      2.087242  
1 1 1 -22 29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -22 29 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 0  1  o 140.5364 2.124832  197.9601       5.965785  198.9986       8.498523  196.9511       8.376587  -0.000000      0.000000  
1 1 1 -21 0  2  o 42.95592 0.8742474 18.49984       0.7495257 18.55170       1.072568  18.45034       1.047843  -0.000000      0.000000  
1 1 1 -21 0  3  o 234.3709 3.476474  551.3798       16.27864  554.7379       23.18063  548.1124       22.86555  -0.000000      0.000000  
1 1 1 -21 0  4  f 51.31451 0.9449648 26.38315       0.9680875 26.67303       1.388244  26.10874       1.350693  -0.000000      0.000000  
1 1 1 -21 0  5  o 108.5544 1.673006  117.9944       3.626268  120.2774       5.236685  115.8911       5.026410  -0.000000      0.000000  
1 1 1 -21 0  6  o 134.2037 2.033489  180.4384       5.450982  183.0076       7.819063  178.0091       7.603176  -0.000000      0.000000  
1 1 1 -21 0  7  o 224.5211 3.331269  505.8232       14.94374  507.9084       21.22654  503.7741       21.04194  -0.000000      0.000000  
1 1 1 -21 0  8  o 396.6302 5.864962  1584.858       46.46170  1561.849       64.65822  1609.423       66.80804  -0.000000      0.000000  
1 1 1 -21 0  9  o 109.9763 1.704183  120.7469       3.735249  115.1779       5.070891  127.3530       5.522885  -0.000000      0.000000  
1 1 1 -21 0  10 o 115.1052 1.766657  132.7455       4.062489  133.8175       5.786319  131.7034       5.704998  -0.000000      0.000000  
1 1 1 -21 0  11 o 111.1939 1.711453  123.8830       3.801981  123.3354       5.357467  124.4386       5.396369  -0.000000      0.000000  
1 1 1 -21 0  12 o 138.7924 2.099017  193.0627       5.820563  193.4168       8.252437  192.7121       8.210760  -0.000000      0.000000  
1 1 1 -21 0  13 o 14.04804 1.568300  2.046877       0.4311195 2.046877       0.4311195 2.046877       0.4311195 -0.000000      0.000000  
1 1 1 -21 0  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 0  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 0  18 o 46.37857 1.313038  21.56563       1.215781  21.56563       1.215781  21.56563       1.215781  -0.000000      0.000000  
1 1 1 -21 0  19 f 35.91376 0.8696519 12.94444       0.6229765 12.87244       0.8735907 13.01896       0.8886459 -0.000000      0.000000  
1 1 1 -21 0  20 o 270.4294 4.007996  735.1485       21.65517  739.5355       30.82113  730.8716       30.43264  -0.000000      0.000000  
1 1 1 -21 0  21 o 117.1270 1.799938  137.4876       4.211643  136.5270       5.910745  138.4783       6.002645  -0.000000      0.000000  
1 1 1 -21 0  22 o 10.28270 1.770656  1.275518       0.3386816 0.5360627      0.4530823 2.211939       0.5098667 -0.000000      0.000000  
1 1 1 -21 0  23 o 165.3072 2.483143  274.1594       8.201339  274.6786       11.62014  273.6441       11.57687  -0.000000      0.000000  
1 1 1 -21 0  24 o 37.51742 0.8852151 14.13227       0.6623026 14.45139       0.9305546 13.80467       0.9428408 -0.000000      0.000000  
1 1 1 -21 0  25 o 188.4788 2.819469  356.7213       10.61761  356.6033       15.01725  356.8391       15.01389  -0.000000      0.000000  
1 1 1 -21 0  26 o 91.12154 1.451375  83.21896       2.641879  83.82421       3.761833  82.62994       3.711046  -0.000000      0.000000  
1 1 1 -21 0  27 o 244.8904 3.647179  603.9504       17.84553  603.5375       25.22855  604.3638       25.24625  -0.000000      0.000000  
1 1 1 -21 0  28 o 113.6891 1.759063  129.5749       3.994298  131.5207       5.732863  127.7392       5.568310  -0.000000      0.000000  
1 1 1 -21 0  29 o 47.39085 0.9520224 22.42719       0.8986695 21.09468       1.221715  23.99824       1.326571  -0.000000      0.000000  
1 1 1 -21 0  30 o 19.49757 1.013083  3.864501       0.3907431 3.782856       0.5501111 3.947637       0.5551113 -0.000000      0.000000  
1 1 1 -21 0  31 o 9.423386 1.976871  1.129032       0.3334219 1.393236       0.4601921 0.8370883      0.4837488 -0.000000      0.000000  
1 1 1 -21 0  32 f 19.26820 1.057343  3.779388       0.4011645 3.385226       0.5578557 4.201519       0.5773087 -0.000000      0.000000  
1 1 1 -21 0  33 o 7.334930 2.148268  0.7414254      0.3339098 0.4811698      0.4581986 1.036168       0.4876124 -0.000000      0.000000  
1 1 1 -21 0  34 o 22.48241 1.003279  5.120041       0.4472536 5.221563       0.6286708 5.015999       0.6364247 -0.000000      0.000000  
1 1 1 -21 0  35 o 30.78840 0.9058285 9.536080       0.5555743 9.679077       0.7820101 9.390351       0.7894441 -0.000000      0.000000  
1 1 1 -21 0  36 o 69.43016 1.195347  48.34238       1.657620  48.56523       2.356110  48.12397       2.332525  -0.000000      0.000000  
1 1 1 -21 0  37 o 22.81586 1.027012  5.242350       0.4610085 6.209794       0.6789458 4.414741       0.6279637 -0.000000      0.000000  
1 1 1 -21 0  38 f 16.46093 1.236554  2.804544       0.3988831 2.770563       0.5666875 2.837914       0.5615593 -0.000000      0.000000  
1 1 1 -21 0  39 f 89.73277 1.457653  80.80285       2.612439  81.49939       3.736527  80.13675       3.653950  -0.000000      0.000000  
1 1 1 -21 0  40 o 37.75893 0.9608985 14.32629       0.7235320 14.31724       1.029960  14.33511       1.016628  -0.000000      0.000000  
1 1 1 -21 0  41 f 9.395630 2.064666  1.153453       0.3907801 0.5622256      0.5501215 1.755661       0.5552067 -0.000000      0.000000  
1 1 1 -21 0  42 o 34.09048 0.9534907 11.65088       0.6468158 12.43255       0.9474238 10.96850       0.8852133 -0.000000      0.000000  
1 1 1 -21 0  43 o 13.71359 1.614789  2.011479       0.4104189 1.949386       0.5737851 2.076529       0.5872905 -0.000000      0.000000  
1 1 1 -21 0  44 f 126.2819 1.964963  160.4870       4.954560  157.1717       6.866673  164.0875       7.155884  -0.000000      0.000000  
1 1 1 -21 0  45 o 15.63984 1.469271  2.562828       0.4318697 2.080900       0.5934162 3.105510       0.6297106 -0.000000      0.000000  
1 1 1 -21 0  46 o 22.13963 1.120963  4.998195       0.4899725 4.692743       0.7008985 5.290133       0.6852190 -0.000000      0.000000  
1 1 1 -21 0  47 o 48.07000 1.048785  23.21914       1.006121  23.19440       1.430778  23.24335       1.415091  -0.000000      0.000000  
1 1 1 -21 0  48 o 29.56688 1.039893  8.825272       0.6115254 9.078304       0.8668294 8.574563       0.8628393 -0.000000      0.000000  
1 1 1 -21 0  49 o 23.78367 1.134425  5.711379       0.5303267 6.765433       0.7822186 4.814732       0.7214517 -0.000000      0.000000  
1 1 1 -21 0  50 o 86.21246 1.449376  74.77402       2.495937  74.47025       3.526832  75.07883       3.532752  -0.000000      0.000000  
1 1 1 -21 0  51 o 4.882071 2.030054  -0.1168506     0.4118104 -0.9231396     0.5803445 0.7008944      0.5844527 -0.000000      0.000000  
1 1 1 -21 0  52 o 7.640618 2.561938  0.8567777      0.4572265 1.097680       0.6499718 0.6207870      0.6433117 -0.000000      0.000000  
1 1 1 -21 0  53 o 5.782475 2.328760  0.3623018      0.4484736 0.7408388      0.6322187 -0.2110870E-01 0.6362755 -0.000000      0.000000  
1 1 1 -21 0  54 o 6.866036 2.370369  0.6049895      0.4532394 1.140694       0.6342559 0.4595963E-01  0.6479169 -0.000000      0.000000  
1 1 1 -21 0  55 o 3.466818 1.735045  -0.7314640     0.4532120 -1.056514      0.6213287 -0.3618755     0.6625304 -0.000000      0.000000  
1 1 1 -21 0  56 o 15.73350 1.922482  2.751996       0.5356276 2.255650       0.7703786 3.216465       0.7452309 -0.000000      0.000000  
1 1 1 -21 0  57 o 16.92117 5.299434  3.686148       1.569020  3.686148       1.569020  3.686148       1.569020  -0.000000      0.000000  
1 1 1 -21 0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 1  1  o 88.27805 0.9861861 77.96352       1.741166  78.16806       2.466071  77.76019       2.458707  0.2309036      1.972372  
1 1 1 -21 1  2  o 241.5464 2.526531  584.8751       12.20201  577.2429       17.01475  592.9565       17.50834  -3.233475      5.053062  
1 1 1 -21 1  3  o 74.34949 0.8578755 55.29185       1.275587  54.92665       1.793007  55.66611       1.815102  -0.4970016     1.715751  
1 1 1 -21 1  4  f 217.7709 2.283629  475.0539       9.942251  468.2340       13.83140  482.3450       14.30130  -3.224213      4.567258  
1 1 1 -21 1  5  f 31.84817 0.5668773 10.13945       0.3609574 9.778706       0.5048426 10.51675       0.5162916 -1.158598      1.133755  
1 1 1 -21 1  6  o 92.54768 1.025674  85.33447       1.892465  81.53410       2.556492  89.94167       2.814819  -4.538589      2.051348  
1 1 1 -21 1  7  o 126.3586 1.355887  159.5383       3.422369  155.1992       4.702225  164.4258       4.990554  -3.645554      2.711774  
1 1 1 -21 1  8  o 111.5955 1.212860  124.5981       2.706854  123.8581       3.804780  125.3565       3.851793  -0.6705704     2.425721  
1 1 1 -21 1  9  o 64.42428 0.7758424 41.51390       0.9996542 41.30889       1.410807  41.72062       1.416660  -0.3194733     1.551685  
1 1 1 -21 1  10 o 55.66829 0.8604732 31.30626       0.9140074 29.95190       1.526690  32.06289       1.141106  -1.900501      1.720946  
1 1 1 -21 1  11 o 111.5419 1.711092  123.7621       3.797206  132.0597       5.732864  117.2765       5.068429  6.611038       3.422185  
1 1 1 -21 1  12 o 26.97008 0.8153895 7.287538       0.4390792 7.682856       0.6161913 6.879765       0.6258245 1.488964       1.630779  
1 1 1 -21 1  13 o 105.8004 1.632911  111.8317       3.449756  108.2748       4.720870  115.9074       5.053481  -3.599243      3.265823  
1 1 1 -21 1  14 o 128.6018 1.700117  163.7507       4.056662  160.7672       4.874449  170.4731       7.316804  -3.713264      3.400234  
1 1 1 -21 1  15 o 33.57932 0.6005447 11.14521       0.4008806 12.88634       0.6041803 9.775804       0.5358177 4.630995       1.201089  
1 1 1 -21 1  16 o 94.97572 1.052816  90.20096       1.999004  88.71546       2.779099  91.79352       2.877506  -1.618828      2.105632  
1 1 1 -21 1  17 o 78.69684 1.094771  63.09045       1.676836  67.69467       2.184656  56.48851       2.616020  7.127235       2.189543  
1 1 1 -21 1  18 o 140.2053 1.942260  195.9135       5.296809  192.7039       6.720957  201.1748       8.605102  -2.961777      3.884521  
1 1 1 -21 1  19 o 144.5668 2.182763  209.2973       6.306975  213.9449       9.119853  205.0371       8.731629  3.066666       4.365525  
1 1 1 -21 1  20 o 59.52812 1.060893  35.17250       1.256665  32.76895       1.677206  38.24892       1.897498  -4.598690      2.121787  
1 1 1 -21 1  21 o 83.71571 1.352061  70.11138       2.262777  71.48736       3.259190  68.83092       3.144017  1.583580       2.704123  
1 1 1 -21 1  22 o 146.0120 1.926871  210.0079       5.171714  222.9114       9.527963  204.6183       6.157782  6.130356       3.853742  
1 1 1 -21 1  23 o 35.68798 0.7660255 12.00034       0.4968922 14.52318       0.9594598 11.07571       0.5808555 4.823582       1.532051  
1 1 1 -21 1  24 o 66.95871 0.8064775 44.84843       1.079903  45.22796       1.540508  44.48172       1.514259  0.5567322      1.612955  
1 1 1 -21 1  25 f 90.62794 1.019246  81.96252       1.843502  78.83852       2.509869  85.62231       2.716595  -3.737328      2.038493  
1 1 1 -21 1  26 o 131.8102 1.418061  174.0142       3.738275  174.2961       5.298052  173.7346       5.275457  0.2121124      2.836123  
1 1 1 -21 1  27 o 120.2358 1.304154  144.4943       3.131096  149.6111       4.586771  140.0292       4.284721  3.972511       2.608308  
1 1 1 -21 1  28 o 119.5682 1.298923  143.1846       3.106112  142.4215       4.372810  143.9618       4.412877  -0.6424179     2.597846  
1 1 1 -21 1  29 o 85.90445 0.9772520 73.84993       1.678756  74.62962       2.399176  73.10199       2.349833  0.8875046      1.954504  
1 1 1 -21 1  30 o 86.85852 0.9893643 75.21272       1.713547  71.76530       2.317163  79.37321       2.545550  -4.371117      1.978729  
1 1 1 -21 1  31 o 89.87473 1.018087  80.61367       1.825590  77.33827       2.479711  84.48991       2.697575  -3.969322      2.036173  
1 1 1 -21 1  32 f 42.23839 0.6568679 17.65803       0.5518441 19.89001       0.8342308 15.92145       0.7358463 4.694916       1.313736  
1 1 1 -21 1  33 o 102.8960 1.141769  105.9204       2.347312  103.1682       3.233376  108.9871       3.413114  -2.818001      2.283538  
1 1 1 -21 1  34 o 37.30664 0.6430741 13.80446       0.4777209 15.45495       0.7154511 12.47652       0.6417419 3.989475       1.286148  
1 1 1 -21 1  35 f 44.73648 0.6736996 20.01669       0.6026198 19.53887       0.8408211 20.52136       0.8641227 -1.097260      1.347399  
1 1 1 -21 1  36 o 93.54526 1.057358  87.24989       1.971085  92.30251       2.942180  83.13560       2.654963  4.883057       2.114715  
1 1 1 -21 1  37 o 35.09735 0.6442767 12.32609       0.4522313 12.17856       0.6372293 12.47580       0.6418996 -0.4232826     1.288553  
1 1 1 -21 1  38 o 49.30791 0.7092130 24.14285       0.6963027 26.44566       1.046503  22.31353       0.9327300 4.184753       1.418426  
1 1 1 -21 1  39 o 36.28529 0.9197763 13.15266       0.6665521 13.91002       0.9741371 12.48588       0.9140258 1.958549       1.839553  
1 1 1 -21 1  40 o 25.62550 0.9915547 6.556583       0.5072695 7.020060       0.7441365 6.154235       0.6933300 1.685692       1.983109  
1 1 1 -21 1  41 o 5.836046 1.533245  0.2571142      0.2406488 0.1893220      0.3412249 0.3241989      0.3394397 -0.6173091     3.066490  
1 1 1 -21 1  42 o 64.94507 0.8228202 42.24815       1.068745  42.04025       1.506197  42.45896       1.516726  -0.3216019     1.645640  
1 1 1 -21 1  43 o 26.72052 0.7156976 7.143069       0.3820455 6.679088       0.5320823 7.636840       0.5488979 -1.790991      1.431395  
1 1 1 -21 1  44 o 23.36701 0.7639775 5.469606       0.3570369 5.461572       0.5050354 5.477633       0.5048176 -0.3438568E-01 1.527955  
1 1 1 -21 1  45 f 56.89398 0.7773327 32.40841       0.8841764 33.21509       1.271991  31.65423       1.229900  1.368130       1.554665  
1 1 1 -21 1  46 o 31.09687 0.7167351 9.684525       0.4456702 9.407764       0.6254894 9.969918       0.6351677 -0.9030533     1.433470  
1 1 1 -21 1  47 o 16.62553 0.9518321 2.773328       0.3164615 2.787373       0.4450263 2.758960       0.4501052 0.8606720E-01  1.903664  
1 1 1 -21 1  48 o 24.26022 0.7820490 5.897890       0.3792640 6.161690       0.5408731 5.642715       0.5319586 1.068657       1.564098  
1 1 1 -21 1  49 o 67.03728 0.8609614 45.06946       1.154287  45.38588       1.641150  44.75970       1.623804  0.4649429      1.721923  
1 1 1 -21 1  50 o 38.23466 0.7328516 14.63863       0.5601621 14.16253       0.7789337 15.14858       0.8061446 -1.286556      1.465703  
1 1 1 -21 1  51 o 28.47367 0.7823754 8.118958       0.4452432 8.498643       0.6428893 7.768974       0.6172321 1.278128       1.564751  
1 1 1 -21 1  52 f 13.27907 1.409231  1.886747       0.3386235 1.013786       0.4709237 2.821347       0.4872661 -6.948104      2.818462  
1 1 1 -21 1  53 o 16.44493 1.076214  2.720939       0.3538372 2.673010       0.5042295 2.767438       0.4966591 -0.2885437     2.152429  
1 1 1 -21 1  54 f 28.41618 0.8032687 8.100842       0.4563252 7.780373       0.6406231 8.430928       0.6501654 -1.143257      1.606537  
1 1 1 -21 1  55 o 7.562364 1.843468  0.5269648      0.3400519 0.4383970      0.4777130 0.6179408      0.4841639 -0.7826648     3.686937  
1 1 1 -21 1  56 o 18.01111 1.352624  3.259702       0.4590871 3.344734       0.8002522 3.217990       0.5604905 0.2813282      2.705247  
1 1 1 -21 1  57 o 38.08271 2.558950  14.79976       1.949035  14.79976       1.949035  ?              ?         ?              ?         
1 1 1 -21 1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 2  1  o 125.2038 1.344265  156.5980       3.360950  151.9857       4.602378  161.8680       4.919672  -3.939674      2.688530  
1 1 1 -21 2  2  o 95.53374 1.054420  91.26080       2.013729  92.91496       2.901133  89.72284       2.797385  1.668968       2.108840  
1 1 1 -21 2  3  f 272.2552 2.843389  743.6290       15.47899  735.1481       21.61559  752.5556       22.17638  -3.172455      5.686778  
1 1 1 -21 2  4  o 141.8029 1.509568  201.2674       4.281093  202.1292       6.082848  200.4217       6.026308  0.6007996      3.019136  
1 1 1 -21 2  5  o 35.55837 0.5838784 12.47987       0.4124922 14.31613       0.6270388 11.07897       0.5476846 4.551231       1.167757  
1 1 1 -21 2  6  o 63.80935 0.9354916 40.59153       1.124271  41.14354       1.958275  40.32013       1.373112  0.6374741      1.870983  
1 1 1 -21 2  7  f 103.1119 1.589787  105.7511       3.261823  112.8977       4.920736  100.1496       4.356462  6.168976       3.179574  
1 1 1 -21 2  8  o 51.89793 0.9367583 26.68046       0.9666520 24.59601       1.285009  29.39762       1.467127  -4.623631      1.873517  
1 1 1 -21 2  9  o 145.6837 2.188139  212.6286       6.375278  211.5013       8.968878  213.7800       9.063883  -0.7791901     4.376277  
1 1 1 -21 2  10 o 95.01895 1.274197  91.37515       2.337382  94.52855       2.971091  86.25388       3.786309  4.368614       2.548393  
1 1 1 -21 2  11 o 124.5098 1.339208  155.0771       3.333836  157.4570       4.787791  152.8371       4.644965  1.852531       2.678416  
1 1 1 -21 2  12 o 77.99425 0.8952550 60.82558       1.396078  59.86633       1.945682  61.84352       2.004328  -1.266762      1.790510  
1 1 1 -21 2  13 o 126.5941 1.359817  160.3799       3.442832  161.0249       4.886965  159.7444       4.851034  0.5050201      2.719634  
1 1 1 -21 2  14 o 197.8545 2.079049  392.1843       8.226960  391.6225       11.61733  392.7496       11.65211  -0.2837524     4.158099  
1 1 1 -21 2  15 o 189.1497 1.990593  357.8516       7.520666  348.3463       10.32640  368.5883       10.97484  -5.330841      3.981186  
1 1 1 -21 2  16 o 123.2291 1.328109  151.7016       3.268461  147.2392       4.479305  156.7832       4.779931  -3.866165      2.656218  
1 1 1 -21 2  17 o 86.98177 0.9793631 74.99139       1.691806  70.15210       2.238249  81.44107       2.583968  -6.483826      1.958726  
1 1 1 -21 2  18 o 91.77115 1.023858  84.24428       1.878932  83.37328       2.629928  85.15238       2.685362  -0.9683838     2.047716  
1 1 1 -21 2  19 o 118.2897 1.280792  139.5086       3.020900  133.6928       4.085349  146.5252       4.487275  -5.415352      2.561584  
1 1 1 -21 2  20 o 73.81773 0.8644482 54.51087       1.276222  54.68055       1.809330  54.34286       1.800402  0.2285919      1.728896  
1 1 1 -21 2  21 o 98.69691 1.186433  96.57743       2.290344  93.32539       2.923902  101.7414       3.684468  -4.245712      2.372866  
1 1 1 -21 2  22 o 104.5323 1.405674  109.8247       2.784882  110.7442       3.436343  108.0651       4.753586  1.320541       2.811349  
1 1 1 -21 2  23 o 110.1647 1.706431  121.3055       3.752745  126.0241       5.513704  117.2330       5.122254  3.974861       3.412863  
1 1 1 -21 2  24 o 30.38288 0.8991157 9.180214       0.5425208 7.755649       0.7389407 10.84602       0.7990621 -5.084419      1.798231  
1 1 1 -21 2  25 o 17.29041 1.109928  2.908096       0.3783737 3.588103       0.5966024 2.450534       0.4893877 3.286507       2.219857  
1 1 1 -21 2  26 o 76.28218 1.268914  57.31549       1.913352  64.40852       2.996210  52.43113       2.486337  7.832161       2.537828  
1 1 1 -21 2  27 o 20.86105 0.8745165 4.197974       0.3361062 4.755676       0.6255544 3.971634       0.3985154 1.873018       1.749033  
1 1 1 -21 2  28 o 120.5474 1.600040  146.4749       3.665920  143.0426       6.207742  148.3128       4.542603  -2.273323      3.200081  
1 1 1 -21 2  29 o 29.25382 0.6297260 8.560816       0.3683154 8.265355       0.5183164 8.862186       0.5234752 -1.019976      1.259452  
1 1 1 -21 2  30 o 127.4920 1.378573  162.1209       3.501921  154.7376       4.713298  171.2193       5.232173  -6.436646      2.757146  
1 1 1 -21 2  31 o 98.80190 1.100081  97.66434       2.172143  100.1430       3.147052  95.40916       3.001837  2.388741       2.200162  
1 1 1 -21 2  32 f 116.9562 1.276491  136.9491       2.983752  133.9987       4.127066  140.1801       4.318784  -2.631607      2.552981  
1 1 1 -21 2  33 o 72.78313 0.8670133 52.66583       1.256078  56.63775       1.891898  49.53493       1.679698  4.870789       1.734027  
1 1 1 -21 2  34 o 8.004053 1.383111  0.6739457      0.2249563 0.8896688      0.3145037 0.4479601      0.3218976 2.531791       2.766221  
1 1 1 -21 2  35 f 35.56857 0.6389558 12.65924       0.4545209 12.62442       0.6447921 12.69364       0.6408057 -0.9743881E-01 1.277912  
1 1 1 -21 2  36 o 28.58759 0.6508639 8.158569       0.3716920 8.651422       0.5409337 7.717728       0.5115960 1.631989       1.301728  
1 1 1 -21 2  37 o 37.01016 0.6508453 13.58259       0.4795460 12.16663       0.6444131 15.33980       0.7178808 -4.284046      1.301691  
1 1 1 -21 2  38 o 44.78962 0.6829357 20.07965       0.6117453 19.89293       0.8655986 20.26596       0.8646791 -0.4164734     1.365871  
1 1 1 -21 2  39 o 66.09576 0.8253794 43.39901       1.085452  40.50486       1.448037  47.11105       1.639932  -4.986328      1.650759  
1 1 1 -21 2  40 o 34.50654 0.8756224 11.88776       0.5928394 12.12247       0.9380623 11.73167       0.7649717 0.5550117      1.751245  
1 1 1 -21 2  41 o 37.34418 0.6783463 13.91992       0.5058795 13.01166       0.6949835 14.94347       0.7377758 -2.584087      1.356693  
1 1 1 -21 2  42 o 58.06313 0.7736185 33.61553       0.8959648 35.77372       1.327942  31.81212       1.213896  3.403641       1.547237  
1 1 1 -21 2  43 o 32.89840 0.6821604 10.83606       0.4488012 10.91614       0.6397287 10.75844       0.6297897 0.2390060      1.364321  
1 1 1 -21 2  44 o 35.18248 0.6924420 12.36785       0.4864402 11.42371       0.6719801 13.40728       0.7050731 -2.816574      1.384884  
1 1 1 -21 2  45 o 21.91073 0.7909206 4.813426       0.3463590 4.659742       0.4931292 4.963059       0.4865877 -0.6927376     1.581841  
1 1 1 -21 2  46 o 45.27321 0.7201905 20.51877       0.6518858 19.89110       0.9087260 21.18423       0.9356761 -1.425823      1.440381  
1 1 1 -21 2  47 f 25.34313 0.7794067 6.440475       0.3943932 5.975967       0.5547863 6.915064       0.5607743 -1.852163      1.558813  
1 1 1 -21 2  48 f 18.66185 0.9300472 3.498715       0.3421766 2.761609       0.4723892 4.312391       0.4963187 -4.151976      1.860094  
1 1 1 -21 2  49 f 39.55141 0.7246146 15.66930       0.5730608 15.24924       0.8014637 16.10870       0.8197047 -1.084637      1.449229  
1 1 1 -21 2  50 o 20.70112 0.8821334 4.307495       0.3636104 3.816149       0.5111468 4.810849       0.5173550 -2.401728      1.764267  
1 1 1 -21 2  51 o 30.26551 0.7649173 9.061181       0.4596564 10.68511       0.6947517 7.796944       0.6130010 4.761356       1.529835  
1 1 1 -21 2  52 o 46.38585 0.7667368 21.58170       0.7112037 21.41183       1.012324  21.74727       0.9993891 -0.3633194     1.533474  
1 1 1 -21 2  53 o 46.11611 0.7778500 21.12645       0.7138352 23.54424       1.076331  19.22793       0.9537739 4.662937       1.555700  
1 1 1 -21 2  54 o 19.00408 1.015825  3.638839       0.3850911 3.352582       0.5463946 3.921369       0.5428250 -1.497169      2.031650  
1 1 1 -21 2  55 o 42.93428 0.8462123 18.24631       0.7140550 19.87788       1.138385  17.18798       0.9168469 3.095131       1.692425  
1 1 1 -21 2  56 o 11.77891 1.881041  1.397997       0.4623993 2.283246       0.6932600 0.6885498      0.6206167 6.412119       3.762081  
1 1 1 -21 2  57 o 40.44682 1.583221  16.48810       1.280725  16.48810       1.280725  ?              ?         ?              ?         
1 1 1 -21 2  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 3  1  o 65.19513 0.7766052 42.47563       1.011930  41.48185       1.400096  43.56254       1.464227  -1.594933      1.553210  
1 1 1 -21 3  2  f 193.7602 2.036275  375.4880       7.879531  364.8856       10.80057  387.5518       11.52096  -5.825623      4.072550  
1 1 1 -21 3  3  f 77.87750 1.080289  60.95063       1.604638  59.77577       2.700434  61.59187       1.995057  -1.177803      2.160578  
1 1 1 -21 3  4  o 94.90007 1.478174  89.60668       2.792659  84.87368       3.739087  95.57777       4.199763  -5.629143      2.956348  
1 1 1 -21 3  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 3  6  o 154.5423 2.315551  239.3141       7.155374  242.0038       10.25032  236.7577       9.993035  1.688416       4.631103  
1 1 1 -21 3  7  o 121.0741 1.608812  143.7699       3.574538  139.4787       4.246445  154.2039       6.621562  -6.025551      3.217624  
1 1 1 -21 3  8  o 141.8423 1.511387  201.2254       4.284796  197.2716       5.932914  205.5360       6.194799  -2.907425      3.022773  
1 1 1 -21 3  9  f 120.5186 1.300555  145.3014       3.133976  143.4238       4.371612  147.2866       4.495194  -1.600235      2.601109  
1 1 1 -21 3  10 o 190.3550 2.001437  362.9516       7.619668  362.7672       10.76954  363.1365       10.78215  -0.9663391E-01 4.002874  
1 1 1 -21 3  11 o 200.0054 2.100367  399.9281       8.386881  414.1259       12.30594  387.6134       11.46079  6.601700       4.200733  
1 1 1 -21 3  12 o 49.85212 0.6752428 24.82754       0.6726558 25.53509       0.9763721 24.18833       0.9280262 1.350266       1.350486  
1 1 1 -21 3  13 o 181.9317 1.916492  331.3495       6.970453  336.9496       10.03440  326.1270       9.690033  2.964264       3.832984  
1 1 1 -21 3  14 o 38.15282 0.6081656 14.55688       0.4640321 14.39987       0.6515516 14.71849       0.6610321 -0.4174652     1.216331  
1 1 1 -21 3  15 o 159.1406 1.686470  253.1083       5.359393  245.6387       7.338400  261.6463       7.845653  -5.015869      3.372939  
1 1 1 -21 3  16 f 121.7185 1.314883  147.4354       3.186539  140.0194       4.269888  156.7574       4.787249  -6.864807      2.629766  
1 1 1 -21 3  17 o 167.6357 1.773013  281.2964       5.942112  277.0261       8.266882  285.8611       8.546947  -2.627045      3.546027  
1 1 1 -21 3  18 o 124.1276 1.338231  153.7589       3.314380  148.0711       4.504944  160.4704       4.893625  -4.985786      2.676463  
1 1 1 -21 3  19 o 37.36312 0.6090875 13.95124       0.4549475 13.57366       0.6320786 14.35711       0.6553374 -1.048176      1.218175  
1 1 1 -21 3  20 o 106.2239 1.163257  112.3334       2.461222  106.8534       3.305612  119.1505       3.686909  -5.779732      2.326515  
1 1 1 -21 3  21 o 111.1217 1.211062  123.5711       2.691231  124.6274       3.839089  122.5504       3.773706  0.9328995      2.422125  
1 1 1 -21 3  22 o 79.97589 0.9192025 63.18835       1.456641  69.79497       2.253540  58.44717       1.909055  7.087509       1.838405  
1 1 1 -21 3  23 o 118.6202 1.286601  140.6753       3.049140  144.7218       4.436087  137.0515       4.198027  3.225990       2.573203  
1 1 1 -21 3  24 o 35.03773 0.6146638 12.25446       0.4301961 12.78173       0.6277910 11.78769       0.5906816 1.417961       1.229328  
1 1 1 -21 3  25 o 110.1514 1.204928  121.1189       2.648385  126.4035       3.908178  116.6315       3.601369  4.425728       2.409857  
1 1 1 -21 3  26 o 98.20171 1.090709  96.42357       2.140306  94.08292       2.953085  99.01361       3.106433  -2.505501      2.181417  
1 1 1 -21 3  27 o 87.60275 1.217053  77.33285       2.024915  78.43118       2.508106  75.27677       3.431620  1.836143       2.434107  
1 1 1 -21 3  28 o 27.35338 0.8618495 7.473938       0.4663283 7.398166       0.6141419 7.577113       0.7166332 -0.3241348     1.723699  
1 1 1 -21 3  29 o 61.41074 1.102444  37.33976       1.344901  41.38294       2.053036  34.30048       1.780005  5.755833       2.204888  
1 1 1 -21 3  30 f 101.6252 1.601668  103.5747       3.255390  103.5777       4.608950  103.5716       4.598701  0.2326965E-02  3.203337  
1 1 1 -21 3  31 o 80.68022 1.327636  65.11607       2.139314  67.41536       3.126519  63.09182       2.933584  2.668175       2.655271  
1 1 1 -21 3  32 f 12.02701 1.530421  1.484242       0.3545106 1.949925       0.5155258 1.066465       0.4882897 3.843258       3.060841  
1 1 1 -21 3  33 o 102.5993 1.482860  104.4689       2.939119  109.8076       4.883595  101.4371       3.680246  3.994232       2.965720  
1 1 1 -21 3  34 f 81.33058 1.149727  67.24703       1.800472  62.50034       2.921392  70.15424       2.286294  -4.742203      2.299454  
1 1 1 -21 3  35 o 55.07037 0.7881441 30.25938       0.8566655 30.94381       1.330044  29.77414       1.119895  1.053085       1.576288  
1 1 1 -21 3  36 o 108.9190 1.204117  118.4510       2.615317  113.3261       3.538613  124.6204       3.882494  -5.161499      2.408234  
1 1 1 -21 3  37 o 36.34818 0.6564048 13.19408       0.4766819 13.92876       0.6927099 12.53325       0.6569692 1.918209       1.312810  
1 1 1 -21 3  38 o 62.93919 1.116984  39.42478       1.399871  36.77988       1.875310  42.75332       2.103758  -4.727722      2.233967  
1 1 1 -21 3  39 o 33.85181 0.6604583 11.45738       0.4469205 11.89888       0.6442105 11.04772       0.6205362 1.256084       1.320917  
1 1 1 -21 3  40 o 78.64861 0.9306335 61.94881       1.463504  60.94719       2.042325  63.00601       2.098221  -1.304886      1.861267  
1 1 1 -21 3  41 o 52.23078 0.7329128 27.20843       0.7637856 28.84849       1.128893  25.82388       1.037231  2.889801       1.465826  
1 1 1 -21 3  42 o 7.682442 1.512750  0.5971010      0.2555054 0.3116389      0.3618834 0.8808523      0.3607974 -2.998080      3.025499  
1 1 1 -21 3  43 o 26.95322 0.7197833 7.158494       0.3843648 8.683459       0.5838370 5.991956       0.5106357 4.987600       1.439567  
1 1 1 -21 3  44 o 29.50057 0.7099684 8.693645       0.4182880 9.137329       0.6119074 8.304460       0.5730954 1.408710       1.419937  
1 1 1 -21 3  45 o 49.24360 0.7317178 24.28518       0.7205478 24.61192       1.029593  23.97155       1.008744  0.6484909      1.463436  
1 1 1 -21 3  46 o 16.60947 0.9427272 2.767538       0.3131155 2.718574       0.4435874 2.816162       0.4420411 -0.2939491     1.885454  
1 1 1 -21 3  47 o 36.41386 0.7168128 13.28760       0.5218233 13.18194       0.7470859 13.38825       0.7291791 -0.2849693     1.433626  
1 1 1 -21 3  48 o 59.79533 0.8087505 35.82738       0.9669387 35.06429       1.348920  36.63391       1.386781  -1.308323      1.617501  
1 1 1 -21 3  49 o 12.75103 1.316484  1.654898       0.3237355 2.030190       0.4734949 1.325461       0.4436256 2.915016       2.632968  
1 1 1 -21 3  50 o 32.65086 0.7448061 10.65601       0.4854074 9.765942       0.6688808 11.64627       0.7055236 -2.875431      1.489612  
1 1 1 -21 3  51 o 58.25971 0.8154224 34.04109       0.9500476 33.59551       1.333385  34.50055       1.353993  -0.7739716     1.630845  
1 1 1 -21 3  52 o 23.28489 0.8802382 5.427904       0.4092122 5.893401       0.5949680 5.010016       0.5637223 1.892067       1.760476  
1 1 1 -21 3  53 o 25.01429 0.8559878 6.279271       0.4281362 6.473947       0.6093363 6.089450       0.6016884 0.7673912      1.711976  
1 1 1 -21 3  54 o 39.98942 0.8346505 16.19311       0.6611921 13.95090       0.9500900 18.29890       0.9207345 -5.441097      1.669301  
1 1 1 -21 3  55 o 33.98992 1.021327  11.65203       0.6877346 11.38965       1.040416  11.85565       0.9165285 -0.7108192     2.042654  
1 1 1 -21 3  56 o 22.55452 1.289078  5.109747       0.5785146 4.435508       0.7882384 5.896984       0.8517321 -3.221628      2.578156  
1 1 1 -21 3  57 o 31.55006 1.422879  9.722292       0.8455614 9.072016       1.020319  11.14812       1.510849  -3.134546      2.845758  
1 1 1 -21 3  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 4  1  o 160.0770 2.391194  256.8368       7.652759  260.6617       10.99975  253.2487       10.65381  2.301590       4.782388  
1 1 1 -21 4  2  o 189.7606 2.821819  361.3183       10.70698  356.9912       14.95215  365.8722       15.33917  -2.322159      5.643638  
1 1 1 -21 4  3  o 100.6974 1.548135  100.7989       3.100574  95.18521       4.131211  108.0396       4.691848  -6.368668      3.096270  
1 1 1 -21 4  4  o 171.3163 2.205823  295.2017       7.175095  297.5729       8.870573  290.7144       12.20265  2.116913       4.411646  
1 1 1 -21 4  5  o 179.8161 1.897727  323.4429       6.817569  315.4353       9.385359  332.3884       9.919825  -4.698059      3.795455  
1 1 1 -21 4  6  o 78.00459 0.8913839 60.84957       1.390288  61.66411       1.993330  60.07796       1.940079  1.015976       1.782768  
1 1 1 -21 4  7  o 104.9893 1.146123  109.9527       2.400736  105.7476       3.260825  114.9298       3.547578  -4.367867      2.292246  
1 1 1 -21 4  8  o 87.26862 1.398637  76.10577       2.438071  74.02892       3.348570  78.44888       3.556744  -2.527916      2.797275  
1 1 1 -21 4  9  o 35.88388 0.6464632 12.55015       0.4504043 14.21684       0.7492455 11.60703       0.5636106 3.634621       1.292926  
1 1 1 -21 4  10 o 179.1867 1.889026  321.1325       6.761813  312.9558       9.296810  330.3162       9.852676  -4.828064      3.778052  
1 1 1 -21 4  11 f 102.4626 1.123185  105.0311       2.301491  105.9767       3.281056  104.1151       3.229163  0.9075394      2.246369  
1 1 1 -21 4  12 o 48.20127 0.6558508 22.80604       0.6253685 20.41620       0.8142853 26.24251       0.9764460 -6.042072      1.311702  
1 1 1 -21 4  13 o 97.05766 1.072011  94.23055       2.080608  95.30247       2.974593  93.20379       2.911276  1.080078       2.144022  
1 1 1 -21 4  14 o 30.05622 0.5892934 9.034737       0.3542248 9.147988       0.5027259 8.923071       0.4991918 0.3741283      1.178587  
1 1 1 -21 4  15 o 28.16035 0.6119386 7.813256       0.3418901 9.290646       0.5188662 6.679621       0.4545112 4.635359       1.223877  
1 1 1 -21 4  16 o 96.63000 1.069395  93.21353       2.063142  96.84485       3.027108  90.06345       2.819399  3.505280       2.138790  
1 1 1 -21 4  17 o 68.28828 0.8132566 46.64766       1.110717  46.69265       1.572058  46.60280       1.569527  0.6575012E-01  1.626513  
1 1 1 -21 4  18 o 98.22832 1.085531  96.43309       2.130681  99.07773       3.093453  94.04603       2.938955  2.558235       2.171062  
1 1 1 -21 4  19 o 63.75932 0.7807886 40.16621       0.9877009 36.91858       1.300393  44.59443       1.518465  -6.016136      1.561577  
1 1 1 -21 4  20 o 73.46037 0.8596795 53.97446       1.262835  53.31105       1.766320  54.66817       1.806185  -0.9230042     1.719359  
1 1 1 -21 4  21 o 123.8021 1.336079  153.0697       3.301716  147.8978       4.503247  159.0817       4.855262  -4.506584      2.672158  
1 1 1 -21 4  22 o 119.9235 1.298536  143.9387       3.113882  145.6384       4.457318  142.3185       4.351959  1.381035       2.597071  
1 1 1 -21 4  23 o 127.9084 1.378787  162.8746       3.510558  173.1856       5.281441  154.7129       4.698831  7.201591       2.757574  
1 1 1 -21 4  24 o 136.6249 1.464333  186.9534       4.001164  186.1302       5.632132  187.7923       5.685245  -0.6062469     2.928665  
1 1 1 -21 4  25 f 38.18402 0.6223659 14.58444       0.4752682 14.62067       0.6756278 14.54894       0.6686875 0.9379959E-01  1.244732  
1 1 1 -21 4  26 o 67.23975 0.8096808 45.23823       1.088852  45.15928       1.540712  45.31699       1.539027  -0.1173096     1.619362  
1 1 1 -21 4  27 o 58.34172 0.7430859 34.04528       0.8668913 34.54372       1.240923  33.57017       1.211544  0.8336220      1.486172  
1 1 1 -21 4  28 o 117.5672 1.278637  138.2737       3.003554  142.0029       4.365552  134.9217       4.138843  3.001617       2.557274  
1 1 1 -21 4  29 o 51.80034 0.6975728 26.84216       0.7225989 27.10484       1.031847  26.58935       1.012253  0.4970665      1.395146  
1 1 1 -21 4  30 o 65.77254 0.8038928 42.59057       1.045656  47.95119       1.634176  38.87415       1.360672  6.891060       1.607786  
1 1 1 -21 4  31 o 9.668154 1.208394  0.9565143      0.2274931 0.8855891      0.3293275 1.021248       0.3146235 -0.8595304     2.416789  
1 1 1 -21 4  32 o 99.75830 1.111321  99.15569       2.208124  105.2253       3.308803  94.28204       2.964936  5.467178       2.222641  
1 1 1 -21 4  33 f 45.01588 0.8316692 19.96096       0.6941555 19.44558       0.8321563 21.13995       1.258633  -1.864754      1.663338  
1 1 1 -21 4  34 o 82.83009 1.168015  69.68682       1.860184  72.39256       2.354563  65.19350       3.034244  4.386658       2.336030  
1 1 1 -21 4  35 o 52.43721 0.9537996 26.96876       0.9660176 25.48064       1.203034  29.66996       1.620835  -3.972939      1.907599  
1 1 1 -21 4  36 o 20.58897 1.114973  4.246052       0.4590078 4.380576       0.6556368 4.116735       0.6428228 0.6399136      2.229945  
1 1 1 -21 4  37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 4  38 o 45.28500 0.9971593 20.54382       0.9030017 20.77757       1.290166  20.31935       1.264301  0.5041084      1.994319  
1 1 1 -21 4  39 o 8.848018 2.004607  0.7661048      0.4075431 0.5817762      0.5909445 0.9332888      0.5627916 -1.375967      4.009214  
1 1 1 -21 4  40 o 71.79649 1.249440  51.61911       1.791636  53.76673       2.619116  49.73032       2.456233  2.794792       2.498880  
1 1 1 -21 4  41 o 9.855810 1.848986  0.9799080      0.3846714 1.434955       0.5680979 0.5946189      0.5227429 3.711127       3.697971  
1 1 1 -21 4  42 o 37.96985 0.8520637 13.94343       0.5911158 15.67454       1.114641  13.26609       0.6972366 3.138584       1.704127  
1 1 1 -21 4  43 o 23.23433 0.9754075 5.543548       0.4114878 5.097656       0.7465742 5.738107       0.4931574 -1.402933      1.950815  
1 1 1 -21 4  44 o 47.28720 0.7738152 22.39920       0.7236236 22.41478       1.109668  22.38767       0.9544899 0.1588821E-01  1.547630  
1 1 1 -21 4  45 o 34.43353 0.7095125 11.88237       0.4882852 11.39672       0.6915031 12.36532       0.6895799 -1.406635      1.419025  
1 1 1 -21 4  46 o 54.04112 0.7631339 29.16796       0.8231331 30.74928       1.212349  27.81557       1.121163  2.705708       1.526268  
1 1 1 -21 4  47 o 54.30532 0.7741087 29.54291       0.8404787 30.08056       1.207916  29.03831       1.170214  0.9557419      1.548217  
1 1 1 -21 4  48 o 41.85247 0.7299577 17.55087       0.6108751 17.62351       0.8739603 17.48147       0.8541945 0.1677170      1.459915  
1 1 1 -21 4  49 f 21.67300 0.8701735 4.727469       0.3743091 4.021872       0.5251687 5.456009       0.5336390 -3.307516      1.740347  
1 1 1 -21 4  50 o 27.48228 0.8006337 7.527494       0.4387272 8.245389       0.6508954 6.929780       0.5939196 2.386717       1.601267  
1 1 1 -21 4  51 o 32.86399 0.7657185 10.80248       0.5013710 9.543509       0.6913924 12.19878       0.7281241 -4.035055      1.531437  
1 1 1 -21 4  52 o 33.23653 0.7681794 11.07343       0.5104209 11.26880       0.7346834 10.89115       0.7096553 0.5647430      1.536359  
1 1 1 -21 4  53 o 34.75771 0.8313305 12.23736       0.5723086 10.96353       0.8399828 13.34103       0.7818713 -3.428730      1.662661  
1 1 1 -21 4  54 o 14.67237 1.371280  2.208054       0.3946127 1.972771       0.6004890 2.386891       0.5235270 -1.431589      2.742559  
1 1 1 -21 4  55 o 74.69666 1.336466  55.99342       1.988388  52.35701       2.668141  60.53556       2.981970  -5.388847      2.672932  
1 1 1 -21 4  56 o 14.02997 1.888950  2.043147       0.5253849 3.668055       0.7909974 0.7603623      0.7028092 9.986150       3.777901  
1 1 1 -21 4  57 f 27.12234 1.230277  7.379356       0.6651650 6.787304       0.8986054 8.096934       0.9892905 -2.388985      2.460553  
1 1 1 -21 4  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 5  1  o 110.9700 1.470635  122.4456       3.055581  120.9396       3.706091  125.6425       5.399525  -2.074699      2.941269  
1 1 1 -21 5  2  o 59.28763 0.7259560 34.98137       0.8578341 33.13182       1.156130  37.24693       1.279559  -3.468922      1.451912  
1 1 1 -21 5  3  f 81.03741 0.9197910 65.68999       1.490593  66.14835       2.126264  65.24706       2.090232  0.5555496      1.839582  
1 1 1 -21 5  4  o 131.4212 1.407893  171.8717       3.682819  163.2890       4.927497  182.7338       5.543301  -7.383675      2.815786  
1 1 1 -21 5  5  o 93.41501 1.034103  87.26084       1.931199  85.82546       2.684620  88.80017       2.780139  -1.590599      2.068206  
1 1 1 -21 5  6  o 222.9864 2.336912  497.5445       10.40552  483.0736       14.24464  514.1010       15.23665  -6.919907      4.673824  
1 1 1 -21 5  7  o 92.99539 1.031447  86.40916       1.916504  88.98064       2.786270  84.10003       2.640309  2.621696       2.062894  
1 1 1 -21 5  8  o 46.43547 0.6467453 21.56340       0.6005620 21.75623       0.8575444 21.37779       0.8413334 0.4073257      1.293491  
1 1 1 -21 5  9  o 178.4091 1.880790  318.7970       6.710843  317.5426       9.451540  320.0723       9.530077  -0.7066040     3.761580  
1 1 1 -21 5  10 o 88.16431 1.414279  77.79187       2.493515  77.29285       3.496647  78.30823       3.556848  -0.5744781     2.828558  
1 1 1 -21 5  11 o 283.6420 2.963485  807.1017       16.80007  791.5192       23.25451  824.1133       24.29756  -5.696075      5.926970  
1 1 1 -21 5  12 o 92.94788 1.034330  86.41837       1.922467  85.54683       2.689946  87.32831       2.748558  -0.9573441     2.068661  
1 1 1 -21 5  13 o 33.82165 0.5943323 11.33443       0.4001276 12.84317       0.5991231 10.11967       0.5375957 4.025669       1.188665  
1 1 1 -21 5  14 o 85.77853 0.9666933 73.60940       1.658396  73.95293       2.354592  73.27124       2.336169  0.3970718      1.933387  
1 1 1 -21 5  15 o 175.8447 1.856222  309.1045       6.517152  319.8868       9.554348  299.7225       8.912395  5.713455       3.712444  
1 1 1 -21 5  16 o 71.46848 0.8418105 51.06533       1.202797  50.05539       1.672953  52.14597       1.730531  -1.461739      1.683621  
1 1 1 -21 5  17 o 120.1310 1.298158  144.0545       3.112287  150.0916       4.585765  138.8990       4.237689  4.650177       2.596316  
1 1 1 -21 5  18 o 44.72713 0.6414614 19.89354       0.5720572 18.49582       0.7732800 21.58318       0.8502021 -3.450363      1.282923  
1 1 1 -21 5  19 o 215.4495 2.261992  465.5704       9.746646  467.6642       13.84413  463.5126       13.72433  0.9578094      4.523983  
1 1 1 -21 5  20 o 75.32556 0.8765088 56.20683       1.311190  52.33010       1.733989  61.38350       2.003726  -6.004311      1.753018  
1 1 1 -21 5  21 o 50.85693 0.6795097 25.87066       0.6911253 26.00922       0.9829179 25.73518       0.9719717 0.2692528      1.359019  
1 1 1 -21 5  22 o 67.58144 0.8116578 45.05400       1.086528  50.24979       1.684599  41.35296       1.421782  6.577156       1.623316  
1 1 1 -21 5  23 o 141.9482 1.517011  201.7910       4.306000  203.9807       6.158388  199.6965       6.023075  1.503754       3.034022  
1 1 1 -21 5  24 o 93.36971 1.044605  87.21534       1.950039  88.72994       2.801976  85.79269       2.715596  1.570366       2.089210  
1 1 1 -21 5  25 o 99.70447 1.104184  99.51392       2.201813  99.78692       3.123231  99.24417       3.104520  0.2715454      2.208367  
1 1 1 -21 5  26 o 139.5216 1.495264  195.0413       4.171976  196.7015       5.953135  193.4391       5.848388  1.163986       2.990528  
1 1 1 -21 5  27 o 80.76365 0.9296800 65.09446       1.498615  62.51348       2.041565  68.11009       2.206788  -3.459595      1.859360  
1 1 1 -21 5  28 o 102.7053 1.134781  105.6172       2.330893  105.0820       3.281257  106.1623       3.311714  -0.5246964     2.269562  
1 1 1 -21 5  29 o 63.42678 0.7826487 40.24814       0.9926911 39.64991       1.390444  40.87006       1.417707  -0.9609985     1.565297  
1 1 1 -21 5  30 f 62.03291 0.7738202 38.50182       0.9599490 37.91583       1.346278  39.10789       1.369157  -0.9600449     1.547640  
1 1 1 -21 5  31 o 109.5650 1.203704  120.2030       2.636466  122.3397       3.798178  118.2163       3.662570  1.874290       2.407408  
1 1 1 -21 5  32 o 48.63978 0.6859086 23.55914       0.6653517 25.19131       0.9875760 22.20253       0.9003590 3.069504       1.371817  
1 1 1 -21 5  33 o 80.29282 0.9337038 64.51160       1.498666  65.73253       2.160301  63.37888       2.080801  1.461884       1.867408  
1 1 1 -21 5  34 o 35.55732 0.6386843 12.57919       0.4528669 13.66791       0.6720290 11.67349       0.6129425 2.802494       1.277369  
1 1 1 -21 5  35 o 47.54784 0.6878811 22.52760       0.6524695 23.98015       0.9659787 21.30888       0.8848165 2.805927       1.375762  
1 1 1 -21 5  36 f 30.58774 0.7208425 9.395692       0.4361101 11.21808       0.6260570 7.677752       0.6078515 5.786385       1.441685  
1 1 1 -21 5  37 o 82.70525 0.9628924 68.52235       1.592704  68.26299       2.245381  68.78500       2.259533  -0.3146591     1.925785  
1 1 1 -21 5  38 o 66.42876 0.8262084 43.88472       1.092659  47.29394       1.643943  41.18674       1.462440  4.586288       1.652417  
1 1 1 -21 5  39 o 90.60152 1.036183  82.19425       1.876329  80.27206       2.596284  84.29584       2.714738  -2.211464      2.072365  
1 1 1 -21 5  40 o 37.72413 0.6810116 14.06014       0.5104109 16.09077       0.7763788 12.51442       0.6773689 4.734581       1.362023  
1 1 1 -21 5  41 o 60.34588 1.031528  36.83661       1.228706  38.88052       1.639561  34.21814       1.855760  3.882530       2.063056  
1 1 1 -21 5  42 o 33.99666 0.7526385 11.70346       0.5058956 13.28355       0.7009112 9.985168       0.7309207 4.853228       1.505277  
1 1 1 -21 5  43 o 56.50937 0.9666775 30.58623       0.9820750 28.89839       1.144212  35.30812       1.913812  -5.594395      1.933355  
1 1 1 -21 5  44 o 39.75165 0.8796041 15.64749       0.6482059 15.33751       0.7780830 16.35059       1.171842  -1.236885      1.759208  
1 1 1 -21 5  45 o 73.83547 1.194167  54.42934       1.716050  53.30819       2.177758  56.26580       2.787201  -1.917343      2.388334  
1 1 1 -21 5  46 o 34.01321 1.039852  11.60507       0.7070387 12.10839       1.014586  11.12987       0.9858404 1.434639       2.079704  
1 1 1 -21 5  47 o 39.93797 1.042369  15.95513       0.8308547 15.06867       1.131237  16.99341       1.224283  -2.396584      2.084738  
1 1 1 -21 5  48 o 39.98511 1.053943  16.05557       0.8426214 16.57305       1.199231  15.55098       1.184204  1.275856       2.107886  
1 1 1 -21 5  49 o 33.97500 1.086482  11.58363       0.7372959 12.45262       1.062394  10.77623       1.024050  2.461006       2.172964  
1 1 1 -21 5  50 o 33.96260 1.130249  11.55201       0.7626809 9.815588       1.045081  13.53050       1.115551  -5.456841      2.260498  
1 1 1 -21 5  51 o 7.630535 2.291980  0.1144756      0.5650319 -0.3406671     1.113800  0.2721996      0.6556653 0.6048260      4.583960  
1 1 1 -21 5  52 o 27.54749 1.763748  0.000000       0.000000  ?              ?         7.647545       0.9717370 ?              ?         
1 1 1 -21 5  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 5  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 5  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 5  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 5  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 6  1  o 70.82498 0.8269499 50.03706       1.169035  48.01823       1.593159  52.39216       1.720731  -3.085716      1.653900  
1 1 1 -21 6  2  o 57.86883 0.7140743 33.39723       0.8247043 32.04305       1.122792  34.98378       1.215311  -2.539593      1.428149  
1 1 1 -21 6  3  o 50.95347 0.6613521 25.87057       0.6724748 27.44357       0.9922051 24.53408       0.9145769 2.854107       1.322704  
1 1 1 -21 6  4  o 58.16061 0.7209706 33.82070       0.8383923 34.41319       1.203691  33.26242       1.168427  0.9888458      1.441941  
1 1 1 -21 6  5  o 111.5293 1.210396  124.4028       2.698602  122.2236       3.747338  126.7504       3.889427  -2.026451      2.420793  
1 1 1 -21 6  6  o 100.1368 1.099897  100.1930       2.200440  103.1978       3.202690  97.50647       3.028403  2.838516       2.199794  
1 1 1 -21 6  7  o 107.6557 1.172927  115.1941       2.511920  108.9288       3.350249  123.2383       3.796178  -6.637177      2.345854  
1 1 1 -21 6  8  o 14.84355 0.6900629 2.197258       0.2004907 2.863754       0.2956978 1.630144       0.2727624 4.155117       1.380126  
1 1 1 -21 6  9  o 65.22882 0.7803807 42.54674       1.017826  41.97261       1.420872  43.15187       1.458723  -0.9034500     1.560761  
1 1 1 -21 6  10 o 124.1605 1.335878  153.8453       3.309473  148.2242       4.498898  160.4742       4.885581  -4.924507      2.671756  
1 1 1 -21 6  11 o 141.9883 1.514112  201.8227       4.299649  201.2102       6.059366  202.4439       6.102103  -0.4333496     3.028225  
1 1 1 -21 6  12 o 89.50209 1.160591  79.39898       2.062013  74.34628       2.723201  86.18913       3.156878  -6.607399      2.321183  
1 1 1 -21 6  13 o 39.32813 0.6027342 15.46955       0.4740638 15.68581       0.6719534 15.25524       0.6689119 0.5473747      1.205468  
1 1 1 -21 6  14 o 113.8165 1.237123  129.6252       2.815784  130.7130       4.018229  128.5757       3.946968  0.9373474      2.474246  
1 1 1 -21 6  15 o 109.9462 1.197282  120.7806       2.629381  117.3898       3.610508  124.6098       3.836813  -3.278381      2.394564  
1 1 1 -21 6  16 f 154.9076 1.644811  240.0388       5.090816  234.3506       7.014774  246.3682       7.399636  -3.866592      3.289622  
1 1 1 -21 6  17 o 130.9088 1.405379  171.0036       3.669685  164.3311       4.975806  178.9612       5.433827  -5.574646      2.810758  
1 1 1 -21 6  18 o 166.4356 1.762315  277.4781       5.865295  280.3912       8.385550  274.6878       8.206894  1.706635       3.524631  
1 1 1 -21 6  19 o 67.57024 0.8073168 45.41122       1.086668  48.57344       1.627631  42.86814       1.459621  4.218712       1.614634  
1 1 1 -21 6  20 o 92.88251 1.036095  86.33263       1.924702  86.36707       2.721746  86.29816       2.722134  0.3710175E-01  2.072191  
1 1 1 -21 6  21 o 35.86051 0.6027785 12.85623       0.4322040 13.18733       0.6197420 12.54271       0.6030569 0.8985405      1.205557  
1 1 1 -21 6  22 f 77.00433 0.8918703 59.33158       1.373556  59.25915       1.940566  59.40431       1.944442  -0.9416199E-01 1.783741  
1 1 1 -21 6  23 o 114.2116 1.244045  130.3473       2.837184  134.9898       4.155549  126.2937       3.883065  3.797363       2.488090  
1 1 1 -21 6  24 o 140.0951 1.500458  196.6460       4.204024  195.9397       5.919983  197.3645       5.971123  -0.5061493     3.000916  
1 1 1 -21 6  25 o 91.77531 1.030252  84.25388       1.890054  85.96906       2.726412  82.66695       2.622497  1.795509       2.060505  
1 1 1 -21 6  26 o 83.14952 0.9517691 69.15324       1.582058  70.63055       2.279722  67.78082       2.197290  1.710960       1.903538  
1 1 1 -21 6  27 o 91.21390 1.025581  83.27869       1.870807  82.60743       2.626421  83.97005       2.665452  -0.7455215     2.051162  
1 1 1 -21 6  28 o 52.00980 0.6999086 26.74197       0.7232448 24.28582       0.9581596 29.99467       1.102636  -5.484257      1.399817  
1 1 1 -21 6  29 o 11.18185 1.022179  1.251706       0.2285037 1.302192       0.3255598 1.202685       0.3207987 0.4447327      2.044359  
1 1 1 -21 6  30 o 49.62803 0.6860031 24.49810       0.6787934 22.73214       0.9174980 26.63354       1.008919  -3.927807      1.372006  
1 1 1 -21 6  31 o 28.88548 0.6227168 8.333363       0.3594175 8.706264       0.5220291 7.997279       0.4955872 1.226461       1.245434  
1 1 1 -21 6  32 o 56.81504 0.7392222 32.28209       0.8396807 31.42367       1.168952  33.19720       1.206935  -1.559395      1.478444  
1 1 1 -21 6  33 o 36.94089 0.6425918 13.48163       0.4717372 15.46151       0.7156245 11.96016       0.6273345 4.736126       1.285184  
1 1 1 -21 6  34 f 48.76172 0.6902736 23.77975       0.6729687 23.11003       0.9383277 24.48912       0.9657058 -1.413067      1.380547  
1 1 1 -21 6  35 o 16.00321 0.8357972 2.555748       0.2646319 3.106393       0.3872809 2.073464       0.3624445 3.226064       1.671594  
1 1 1 -21 6  36 o 25.85136 0.6808522 6.685579       0.3515472 6.745260       0.5115941 6.632188       0.4838875 0.2174721      1.361704  
1 1 1 -21 6  37 o 51.71885 0.7228739 26.44600       0.7420997 29.48568       1.138050  24.19735       0.9788296 5.104485       1.445748  
1 1 1 -21 6  38 o 66.88519 0.8292698 44.77266       1.108968  43.78898       1.544828  45.81853       1.592912  -1.514359      1.658540  
1 1 1 -21 6  39 o 39.12048 0.6750361 14.98084       0.5220467 17.77005       0.8163731 13.05119       0.6790274 6.023834       1.350072  
1 1 1 -21 6  40 o 69.57918 0.8583800 48.48458       1.194310  47.76617       1.670498  49.23576       1.708149  -1.053307      1.716760  
1 1 1 -21 6  41 o 31.49221 1.037223  9.884061       0.6512572 10.91299       0.9648033 9.022809       0.8826973 2.993162       2.074447  
1 1 1 -21 6  42 o 62.61609 0.8109510 38.99817       1.010656  42.11913       1.523430  36.54488       1.350679  4.436775       1.621902  
1 1 1 -21 6  43 o 25.58298 0.7327638 6.558542       0.3746060 6.236446       0.5290906 6.882306       0.5304580 -1.262178      1.465528  
1 1 1 -21 6  44 o 19.85175 0.8527400 3.967352       0.3358702 3.375224       0.4729207 4.569969       0.4770911 -3.008770      1.705480  
1 1 1 -21 6  45 o 23.09711 0.8076286 5.368805       0.3715230 4.931792       0.5341449 5.778365       0.5170955 -1.834311      1.615257  
1 1 1 -21 6  46 o 31.81336 0.8546602 9.924851       0.5179006 10.87090       0.8965421 9.451055       0.6344688 2.202301       1.709320  
1 1 1 -21 6  47 o 36.62357 0.9704440 13.32910       0.7072526 14.92689       1.065776  12.07181       0.9454182 3.881969       1.940888  
1 1 1 -21 6  48 o 39.26660 0.9907888 15.41756       0.7762012 16.36901       1.147821  14.61584       1.053644  2.219025       1.981578  
1 1 1 -21 6  49 o 57.64771 1.113990  33.39577       1.284163  32.56201       1.801363  34.25736       1.831164  -1.465549      2.227979  
1 1 1 -21 6  50 o 41.15966 1.021056  17.01747       0.8398754 16.11236       1.176783  17.95716       1.199057  -2.237339      2.042112  
1 1 1 -21 6  51 o 46.22776 0.9231560 20.95972       0.8098776 19.94902       0.9880471 23.02917       1.413822  -3.262775      1.846312  
1 1 1 -21 6  52 o 38.49517 0.8075396 14.93276       0.6180425 15.59695       0.8414779 14.15477       0.9107097 1.883087       1.615079  
1 1 1 -21 6  53 o 23.95055 0.9317378 5.637268       0.4413799 6.740746       0.6870651 4.861860       0.5759447 3.902792       1.863476  
1 1 1 -21 6  54 o 26.44001 1.152116  7.043408       0.6091771 7.026521       0.8671232 7.059865       0.8559974 -0.6561661E-01 2.304232  
1 1 1 -21 6  55 o 34.94434 1.089621  12.19834       0.7579334 10.76807       1.023138  13.93781       1.128325  -4.510006      2.179241  
1 1 1 -21 6  56 o 22.28394 1.290515  5.009836       0.5737753 4.544589       0.7957731 5.513618       0.8280721 -2.165060      2.581029  
1 1 1 -21 6  57 o 31.59182 1.162203  10.03745       0.7323806 11.12420       1.067023  9.069408       1.007061  3.235607       2.324406  
1 1 1 -21 6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 7  1  o 87.29343 0.9758790 75.96563       1.698957  72.72285       2.300709  79.85466       2.519553  -4.080215      1.951758  
1 1 1 -21 7  2  o 105.5403 1.151213  111.4390       2.429383  113.1314       3.483219  109.8359       3.390009  1.558975       2.302426  
1 1 1 -21 7  3  f 109.3819 1.189079  119.7255       2.600920  118.7095       3.642721  120.7822       3.714854  -0.9456635     2.378157  
1 1 1 -21 7  4  o 120.3519 1.297649  143.7714       3.102445  155.0978       4.729034  135.2133       4.110699  8.244835       2.595297  
1 1 1 -21 7  5  o 55.36736 0.6946042 30.62581       0.7686136 31.65508       1.113156  29.68795       1.062575  1.775753       1.389208  
1 1 1 -21 7  6  o 114.3258 1.238991  130.7622       2.832088  132.7119       4.066683  128.9262       3.946381  1.652832       2.477982  
1 1 1 -21 7  7  o 89.55169 0.9991409 80.00696       1.785567  83.58042       2.632687  76.96292       2.429840  3.690994       1.998282  
1 1 1 -21 7  8  o 46.19273 0.6323263 21.28554       0.5832675 20.35271       0.7980654 22.35511       0.8545589 -2.166779      1.264653  
1 1 1 -21 7  9  o 68.27732 0.8066362 46.41443       1.097911  49.27748       1.634980  44.06310       1.481677  3.816238       1.613272  
1 1 1 -21 7  10 o 8.885588 1.018208  0.8201065      0.1716915 1.043040       0.2421518 0.5947382      0.2434706 2.650910       2.036415  
1 1 1 -21 7  11 o 68.81392 0.8145425 46.60845       1.108335  42.62203       1.441673  52.36945       1.733103  -7.077972      1.629085  
1 1 1 -21 7  12 o 17.62213 0.6433415 3.112017       0.2260926 3.383292       0.3197408 2.840734       0.3197457 1.539421       1.286683  
1 1 1 -21 7  13 o 34.76204 0.9224738 11.83169       0.6344551 10.15550       0.8296604 14.19247       0.9846185 -5.803757      1.844948  
1 1 1 -21 7  14 o 29.11264 0.5756951 8.467510       0.3350069 8.177297       0.4644499 8.782248       0.4836775 -1.038761      1.151390  
1 1 1 -21 7  15 f 87.16684 0.9809535 75.92765       1.708467  73.96159       2.354199  78.11514       2.483236  -2.379860      1.961907  
1 1 1 -21 7  16 o 53.53931 0.6950568 28.52727       0.7419350 26.89721       1.001989  30.50579       1.103908  -3.368492      1.390114  
1 1 1 -21 7  17 o 160.0051 1.697569  256.4775       5.432257  257.4262       7.714705  255.5445       7.650441  0.5855713      3.395137  
1 1 1 -21 7  18 o 188.0787 1.983197  354.4234       7.455853  361.0583       10.75904  348.2933       10.34168  3.374359       3.966394  
1 1 1 -21 7  19 o 166.5428 1.763929  277.9486       5.875318  278.7141       8.334319  277.1924       8.283819  0.4547119      3.527859  
1 1 1 -21 7  20 o 24.77705 0.6031632 6.115055       0.2982516 6.655339       0.4376692 5.646632       0.4075252 2.035107       1.206326  
1 1 1 -21 7  21 o 56.84803 0.7215618 32.32987       0.8203864 32.28547       1.159107  32.37443       1.161299  -0.7820129E-01 1.443124  
1 1 1 -21 7  22 o 37.91516 0.6108022 14.13422       0.4591184 16.46051       0.7072734 12.44009       0.6035709 5.300014       1.221604  
1 1 1 -21 7  23 o 55.66474 0.7162155 30.96739       0.7968366 31.87374       1.152711  30.13791       1.102744  1.558064       1.432431  
1 1 1 -21 7  24 f 33.53495 0.5998074 11.15168       0.4005319 12.52144       0.5993135 10.04605       0.5384390 3.689548       1.199615  
1 1 1 -21 7  25 o 103.9445 1.145565  108.1280       2.380625  110.0303       3.423359  106.3466       3.312788  1.767647       2.291129  
1 1 1 -21 7  26 o 95.90373 1.070017  92.03854       2.051634  93.59415       2.949596  90.58051       2.855585  1.567604       2.140034  
1 1 1 -21 7  27 o 63.58324 0.7837858 40.27518       0.9937720 42.75773       1.476248  38.21790       1.343872  3.565910       1.567572  
1 1 1 -21 7  28 o 65.85829 0.8043447 43.40304       1.059373  43.75410       1.509652  43.06247       1.486964  0.5242996      1.608689  
1 1 1 -21 7  29 f 76.21058 0.8920584 57.85164       1.354866  61.45462       2.022104  54.91638       1.825138  4.281662       1.784117  
1 1 1 -21 7  30 o 57.16748 0.7392511 32.70505       0.8452075 32.65654       1.198375  32.75306       1.192256  -0.8462524E-01 1.478502  
1 1 1 -21 7  31 o 50.23922 0.6943638 25.17855       0.6963059 26.47591       1.024895  24.06637       0.9489365 2.395466       1.388728  
1 1 1 -21 7  32 o 13.86693 0.8945263 1.898595       0.2428604 2.519648       0.3661005 1.410505       0.3245535 3.997325       1.789053  
1 1 1 -21 7  33 o 40.47556 0.6523327 16.27895       0.5261990 14.74367       0.7116602 18.13062       0.7815570 -4.181469      1.304665  
1 1 1 -21 7  34 o 35.14703 0.6455150 12.27794       0.4521832 13.45368       0.6739589 11.31536       0.6098095 3.039604       1.291030  
1 1 1 -21 7  35 o 46.71795 0.6877112 21.84413       0.6425596 21.71482       0.9089342 21.97332       0.9084991 -0.2766800     1.375422  
1 1 1 -21 7  36 o 75.21132 0.8973596 56.65685       1.349819  56.68443       1.913273  56.62953       1.904622  0.3595734E-01  1.794719  
1 1 1 -21 7  37 o 86.55698 0.9985890 75.03665       1.728084  76.22790       2.483935  73.91927       2.405701  1.328117       1.997178  
1 1 1 -21 7  38 o 88.75351 1.019648  78.61994       1.804126  82.88106       2.684482  75.11009       2.436366  4.358650       2.039297  
1 1 1 -21 7  39 o 46.86009 0.7024100 21.82992       0.6555781 23.69144       0.9833617 20.34066       0.8795541 3.569256       1.404820  
1 1 1 -21 7  40 o 82.77872 0.9735008 68.66044       1.611096  69.57170       2.316140  67.80621       2.242512  1.060028       1.947002  
1 1 1 -21 7  41 f 45.23074 1.490375  0.000000       0.000000  ?              ?         20.52151       1.348215  ?              ?         
1 1 1 -21 7  42 o 39.11386 0.9341605 15.31966       0.7300646 15.74643       1.060980  14.93586       1.006136  1.030815       1.868321  
1 1 1 -21 7  43 o 99.72180 1.588014  99.89960       3.158962  104.5009       4.674284  96.03128       4.285842  4.179100       3.176027  
1 1 1 -21 7  44 o 41.80795 0.9635487 17.49916       0.8048460 16.51269       1.112106  18.58407       1.166273  -2.471111      1.927097  
1 1 1 -21 7  45 o 87.22151 1.430745  76.33956       2.488431  80.31728       3.694900  73.03780       3.366348  4.113441       2.861490  
1 1 1 -21 7  46 o 25.95832 0.9110430 6.848646       0.4604770 7.191871       0.5960221 6.340439       0.7252601 1.655642       1.822086  
1 1 1 -21 7  47 o 64.47978 0.8510218 41.43017       1.093394  44.77769       1.634820  38.72086       1.470747  4.677376       1.702044  
1 1 1 -21 7  48 o 28.28177 0.7809327 8.019037       0.4413024 8.011583       0.6380058 8.025876       0.6110579 -0.2834129E-01 1.561865  
1 1 1 -21 7  49 o 61.02472 0.8286781 37.16431       1.008191  39.65493       1.500614  35.11509       1.361162  3.702057       1.657356  
1 1 1 -21 7  50 o 45.09456 0.7584129 20.37240       0.6835946 19.42997       0.9517671 21.37659       0.9824609 -2.154411      1.516826  
1 1 1 -21 7  51 o 39.86241 0.7548504 15.93879       0.6016617 15.71031       0.8560658 16.16180       0.8457837 -0.5676765     1.509701  
1 1 1 -21 7  52 f 34.22606 0.8245596 11.76983       0.5589797 11.64595       0.8493011 11.86450       0.7424610 -0.3351822     1.649119  
1 1 1 -21 7  53 o 52.62011 1.009237  27.84511       1.039458  27.84616       1.648627  27.84443       1.339180  -0.5930710E-01 2.018473  
1 1 1 -21 7  54 o 28.89676 1.112078  8.310040       0.6384915 9.728730       0.9606053 7.187211       0.8545904 4.373446       2.224155  
1 1 1 -21 7  55 f 22.87587 1.268440  5.291560       0.5792440 5.674803       0.8205614 4.910897       0.8177952 1.668896       2.536881  
1 1 1 -21 7  56 o 39.36188 1.108846  15.60327       0.8723398 15.94166       1.261659  15.29333       1.207474  0.8099213      2.217691  
1 1 1 -21 7  57 o 24.86429 1.300819  6.249868       0.6423581 5.303964       0.8888768 7.283843       0.9293362 -3.968454      2.601639  
1 1 1 -21 7  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 8  1  o 74.39371 1.253529  55.13836       1.858272  52.49101       2.502058  58.39499       2.775084  -3.959808      2.507057  
1 1 1 -21 8  2  o 81.46649 1.339064  66.41567       2.180845  65.45002       3.031980  67.45081       3.139174  -1.224617      2.678128  
1 1 1 -21 8  3  f 88.29407 0.9900512 77.09016       1.733308  71.44145       2.277640  84.86317       2.671808  -7.591652      1.980102  
1 1 1 -21 8  4  o 132.0590 1.413777  174.6157       3.734019  174.9948       5.291262  174.2395       5.270202  0.2852936      2.827554  
1 1 1 -21 8  5  f 86.15302 0.9664397 73.86301       1.658560  78.63136       2.483952  70.02677       2.227985  4.988327       1.932879  
1 1 1 -21 8  6  o 88.62854 0.9905831 78.54894       1.755147  80.22485       2.527055  76.98708       2.439562  1.824715       1.981166  
1 1 1 -21 8  7  o 134.9424 1.444865  182.2715       3.898546  179.9599       5.442428  184.7077       5.587175  -1.754684      2.889730  
1 1 1 -21 8  8  o 97.49567 1.074617  95.06245       2.094452  96.95255       3.017770  93.30590       2.909216  1.867668       2.149235  
1 1 1 -21 8  9  o 45.83205 0.6291786 21.00248       0.5766122 21.44333       0.8256064 20.58266       0.8056648 0.9386711      1.258357  
1 1 1 -21 8  10 f 68.37593 0.8125440 45.81740       1.095611  41.41748       1.412997  52.45081       1.734951  -8.062523      1.625088  
1 1 1 -21 8  11 o 72.83533 0.8474767 53.01891       1.233667  54.47766       1.785706  51.68695       1.706336  1.914307       1.694953  
1 1 1 -21 8  12 o 18.12525 0.6239119 3.263033       0.2220367 2.474244       0.3004095 4.212769       0.3296361 -4.795470      1.247824  
1 1 1 -21 8  13 o 100.2282 1.104557  100.5295       2.214088  101.0610       3.146055  100.0078       3.116542  0.5246735      2.209115  
1 1 1 -21 8  14 f 60.54842 0.8696938 36.33042       1.047088  39.92879       1.588701  33.56683       1.392276  5.249767       1.739388  
1 1 1 -21 8  15 o 95.61236 1.061018  91.43512       2.028116  93.14230       2.918673  89.84114       2.820235  1.723923       2.122036  
1 1 1 -21 8  16 o 53.91326 0.6971714 28.96048       0.7499400 30.73610       1.108464  27.46167       1.018401  3.035271       1.394343  
1 1 1 -21 8  17 o 208.3025 2.190354  435.3086       9.124603  438.0512       12.98800  432.6357       12.82188  1.291000       4.380709  
1 1 1 -21 8  18 o 87.10622 0.9822360 75.76869       1.708433  78.62385       2.503218  73.27911       2.337467  3.063774       1.964472  
1 1 1 -21 8  19 o 129.3303 1.391461  167.5033       3.599030  168.4122       5.116391  166.6131       5.063613  0.6935577      2.782923  
1 1 1 -21 8  20 o 65.61998 0.7935597 43.05556       1.041023  42.22235       1.446729  43.95023       1.499127  -1.315392      1.587119  
1 1 1 -21 8  21 o 103.7842 1.142959  107.2450       2.362406  114.0189       3.542868  101.8217       3.170030  5.863152       2.285918  
1 1 1 -21 8  22 o 74.97608 0.8749033 56.23611       1.311651  57.05462       1.878945  55.45812       1.831861  1.063339       1.749807  
1 1 1 -21 8  23 o 23.18522 0.6221685 5.328429       0.2866551 6.260084       0.4266736 4.561951       0.3870062 3.661282       1.244337  
1 1 1 -21 8  24 o 36.07247 0.6084130 12.91856       0.4372569 14.27262       0.6531804 11.81902       0.5885990 3.399586       1.216826  
1 1 1 -21 8  25 o 74.03276 0.8704205 54.83984       1.288602  54.21804       1.803597  55.48819       1.841718  -0.8566208     1.740841  
1 1 1 -21 8  26 o 114.5902 1.250794  131.3073       2.862479  135.7731       4.185050  127.3815       3.923872  3.648384       2.501587  
1 1 1 -21 8  27 o 33.70547 0.6126261 11.36581       0.4129700 11.27506       0.5832511 11.45704       0.5848076 -0.2699242     1.225252  
1 1 1 -21 8  28 o 108.2506 1.189985  116.9135       2.568006  123.1413       3.821260  111.7845       3.467828  5.226601       2.379970  
1 1 1 -21 8  29 o 85.56329 0.9776723 73.30243       1.673043  73.09545       2.360124  73.51150       2.372000  -0.2425766     1.955345  
1 1 1 -21 8  30 o 76.44333 0.8975965 58.49947       1.372282  58.13142       1.934031  58.87265       1.947437  -0.4842300     1.795193  
1 1 1 -21 8  31 o 114.7262 1.256667  131.6103       2.877878  136.8165       4.231167  127.1283       3.925832  4.202263       2.513335  
1 1 1 -21 8  32 o 25.21561 0.6582008 6.353254       0.3307191 5.630031       0.4582140 7.139680       0.4778163 -2.992783      1.316402  
1 1 1 -21 8  33 o 122.9002 1.883241  151.6317       4.622258  156.6066       6.759342  147.2619       6.334994  3.756729       3.766481  
1 1 1 -21 8  34 o 39.23547 0.6568857 15.41035       0.5153092 15.10893       0.7326775 15.70539       0.7248991 -0.7604103     1.313771  
1 1 1 -21 8  35 o 46.30771 0.6895515 21.46633       0.6385360 21.06190       0.9037346 21.86950       0.9023196 -0.8720627     1.379103  
1 1 1 -21 8  36 o 60.94876 0.9396868 37.33181       1.092826  36.81154       1.839833  37.61544       1.358427  -0.6907883     1.879374  
1 1 1 -21 8  37 o 122.5220 1.888021  151.2298       4.626433  151.5030       6.560167  150.9596       6.525501  0.2169266      3.776043  
1 1 1 -21 8  38 o 33.58508 0.8780741 11.30392       0.5895774 11.06490       0.8392380 11.53684       0.8284435 -0.7033768     1.756148  
1 1 1 -21 8  39 o 148.1097 2.261823  221.9384       6.695377  226.6463       9.684911  217.6286       9.266339  2.962250       4.523646  
1 1 1 -21 8  40 f 26.25269 0.9289781 6.906874       0.4872589 6.933316       0.7059426 6.882814       0.6733859 0.9330559E-01  1.857956  
1 1 1 -21 8  41 o 97.61238 2.259353  95.99485       4.410817  95.99485       4.410817  ?              ?         ?              ?         
1 1 1 -21 8  42 o 18.30309 0.9049132 3.350144       0.3307319 3.500673       0.4846411 3.218939       0.4524659 0.7665215      1.809826  
1 1 1 -21 8  43 o 41.20656 0.7104741 16.99817       0.5853066 16.37112       0.8179355 17.65624       0.8379235 -1.557739      1.420948  
1 1 1 -21 8  44 o 76.89124 0.9324452 59.01811       1.429054  62.63390       2.130467  56.06054       1.926817  4.251091       1.864890  
1 1 1 -21 8  45 o 23.58331 0.7998000 5.569447       0.3770508 5.777051       0.5432911 5.376539       0.5237085 0.8470764      1.599600  
1 1 1 -21 8  46 o 47.34549 0.7404658 22.25965       0.6976066 24.55128       1.053185  20.46824       0.9311731 4.299648       1.480932  
1 1 1 -21 8  47 o 20.43479 0.8647330 4.181211       0.3530693 4.355790       0.5133253 4.024471       0.4863932 0.8073292      1.729466  
1 1 1 -21 8  48 o 33.93451 0.7312718 11.54390       0.4960618 11.44661       0.7111108 11.63611       0.6923403 -0.2812347     1.462544  
1 1 1 -21 8  49 o 6.577342 1.582159  0.2297787      0.2986955 0.7810380      0.4314535 -0.2776104     0.4139296 4.149556       3.164317  
1 1 1 -21 8  50 o 52.94637 0.7896620 28.12113       0.8361361 28.01448       1.188216  28.22574       1.176816  -0.2010956     1.579324  
1 1 1 -21 8  51 o 33.77554 0.8238779 11.35556       0.5483541 11.96417       0.8613914 10.94087       0.7110388 1.492924       1.647756  
1 1 1 -21 8  52 f 14.10402 1.426016  1.959145       0.3917975 2.234842       0.6462049 1.798884       0.4926833 1.504258       2.852031  
1 1 1 -21 8  53 o 51.83005 1.090284  26.97470       1.128485  28.29748       1.652408  25.81851       1.544853  2.368053       2.180568  
1 1 1 -21 8  54 o 14.47552 1.784156  2.163892       0.4966788 2.827029       0.7324228 1.599310       0.6758078 4.428222       3.568311  
1 1 1 -21 8  55 f 47.69247 1.107515  22.91537       1.055913  23.05947       1.518620  22.78048       1.469181  0.2804222      2.215030  
1 1 1 -21 8  56 o 38.91886 1.089694  15.25841       0.8475348 14.43782       1.185372  16.11665       1.212271  -2.149979      2.179389  
1 1 1 -21 8  57 f 51.15775 1.148293  26.23662       1.169449  28.26358       1.760008  24.63427       1.564843  3.490612       2.296586  
1 1 1 -21 8  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 9  1  o 48.73495 0.9953469 23.70476       0.9685339 22.69556       1.323594  24.86799       1.421017  -2.226135      1.990694  
1 1 1 -21 9  2  o 84.42854 1.384419  71.13091       2.330907  68.26794       3.155354  74.56989       3.458228  -3.721024      2.768839  
1 1 1 -21 9  3  o 145.4627 2.211684  212.2557       6.432161  209.2635       8.957747  215.4408       9.241802  -2.107315      4.423367  
1 1 1 -21 9  4  o 56.84819 1.065763  32.17041       1.207635  30.33833       1.628041  34.41167       1.800686  -3.578091      2.131526  
1 1 1 -21 9  5  f 188.8270 2.831201  358.5117       10.69196  357.5619       15.06919  359.4746       15.17277  -0.4993439     5.662402  
1 1 1 -21 9  6  o 67.58543 1.008658  44.34248       1.226955  48.83998       2.363439  42.68319       1.435557  4.532784       2.017316  
1 1 1 -21 9  7  o 137.8456 1.472411  189.9414       4.053038  184.4063       5.550200  196.2657       5.932612  -4.288361      2.944822  
1 1 1 -21 9  8  o 50.23779 0.6602367 25.15172       0.6619309 23.85891       0.9004661 26.67163       0.9763557 -2.798229      1.320473  
1 1 1 -21 9  9  o 168.8944 1.786463  285.3869       6.026072  294.3793       8.804777  277.4630       8.265107  4.985291       3.572926  
1 1 1 -21 9  10 o 33.62932 0.5665830 11.31159       0.3810698 11.33562       0.5406895 11.28786       0.5371560 0.7094955E-01  1.133166  
1 1 1 -21 9  11 o 120.2324 1.298441  144.4059       3.116802  149.8154       4.573898  139.7165       4.258618  4.190025       2.596883  
1 1 1 -21 9  12 o 70.78822 0.8299837 50.08298       1.174310  51.50055       1.698267  48.78419       1.625569  1.917206       1.659967  
1 1 1 -21 9  13 o 146.9045 1.564875  216.1440       4.597183  214.3272       6.441522  218.0299       6.562975  -1.255615      3.129749  
1 1 1 -21 9  14 o 28.51949 0.5694517 8.128140       0.3245815 8.322433       0.4697701 7.950655       0.4489899 0.6515026      1.138903  
1 1 1 -21 9  15 o 46.28146 0.6439497 21.14276       0.5916372 19.14393       0.7808440 23.83703       0.9065632 -5.068085      1.287899  
1 1 1 -21 9  16 o 25.99214 0.5837263 6.685676       0.3011563 7.966827       0.4501818 5.647937       0.4051649 4.460052       1.167453  
1 1 1 -21 9  17 o 37.99918 0.6737020 13.48089       0.4853637 17.52980       0.8711004 11.65794       0.5845019 7.720844       1.347404  
1 1 1 -21 9  18 o 76.24644 0.8840007 57.93122       1.343931  55.25411       1.816666  61.16740       1.997369  -3.873032      1.768001  
1 1 1 -21 9  19 o 99.70255 1.102813  99.47197       2.198379  101.0410       3.156933  97.99474       3.063145  1.524483       2.205626  
1 1 1 -21 9  20 o 58.41901 0.7352089 33.98111       0.8564466 32.10936       1.157836  36.24263       1.272692  -3.534870      1.470418  
1 1 1 -21 9  21 o 76.23529 0.8850887 58.15530       1.349392  58.60059       1.923002  57.72335       1.893987  0.5744934      1.770177  
1 1 1 -21 9  22 o 109.8342 1.202327  120.8032       2.641128  120.9775       3.739001  120.6297       3.731249  0.1580200      2.404653  
1 1 1 -21 9  23 o 81.37538 0.9385318 66.01009       1.523140  62.91404       2.061815  69.72955       2.259875  -4.181114      1.877064  
1 1 1 -21 9  24 o 190.6804 2.016161  364.9300       7.684078  358.1091       10.64504  372.3508       11.10329  -3.698944      4.032322  
1 1 1 -21 9  25 f 28.93756 0.6148294 8.377475       0.3551626 7.705410       0.4971692 9.077879       0.5075430 -2.371164      1.229659  
1 1 1 -21 9  26 o 122.1617 1.325009  149.3963       3.234413  145.8225       4.462005  153.3535       4.695201  -3.068634      2.650017  
1 1 1 -21 9  27 o 43.54346 0.6475899 18.92706       0.5632598 19.86356       0.8220096 18.09814       0.7733542 2.025761       1.295180  
1 1 1 -21 9  28 o 103.2598 1.142419  106.7700       2.358598  105.2071       3.286919  108.4289       3.386430  -1.554642      2.284838  
1 1 1 -21 9  29 o 79.70692 0.9255628 63.35135       1.471243  60.40015       1.991114  66.90028       2.183468  -4.068657      1.851126  
1 1 1 -21 9  30 o 86.01534 0.9842646 74.03893       1.692280  75.62204       2.443326  72.57928       2.346123  1.763710       1.968529  
1 1 1 -21 9  31 o 81.98470 0.9521444 66.93786       1.555383  63.25152       2.092264  71.49173       2.325459  -5.013397      1.904289  
1 1 1 -21 9  32 o 58.04356 1.028456  33.31619       1.183404  36.95493       1.826959  30.68584       1.553315  5.384434       2.056912  
1 1 1 -21 9  33 f 85.35893 1.368941  73.09113       2.336782  73.53012       3.332819  72.66665       3.277298  0.5011368      2.737882  
1 1 1 -21 9  34 o 58.70943 1.042260  34.51818       1.223067  35.14088       1.766494  33.94482       1.695072  1.013546       2.084520  
1 1 1 -21 9  35 f 46.32043 0.9173877 21.49138       0.8498622 21.32006       1.199767  21.66390       1.204017  -0.3708801     1.834775  
1 1 1 -21 9  36 o 53.76125 0.9969735 28.72807       1.067205  26.50269       1.429484  31.53022       1.604070  -4.663124      1.993947  
1 1 1 -21 9  37 o 41.62683 0.7915105 17.27039       0.6367440 17.03849       0.8004739 17.66994       1.050719  -0.7425880     1.583021  
1 1 1 -21 9  38 o 97.03032 1.098439  94.36833       2.130623  96.13440       3.070661  92.72865       2.958766  1.744469       2.196879  
1 1 1 -21 9  39 o 47.31162 0.7172290 22.38446       0.6781831 21.32932       0.9407714 23.52601       0.9785343 -2.318989      1.434458  
1 1 1 -21 9  40 f 83.13741 0.9763321 69.30898       1.623361  69.35548       2.303481  69.26311       2.288156  0.5400848E-01  1.952664  
1 1 1 -21 9  41 o 35.33457 1.061260  12.47535       0.7478276 13.19439       1.109994  11.87770       1.011966  1.852177       2.122519  
1 1 1 -21 9  42 o 72.23319 0.8884494 52.27328       1.282836  53.30936       1.850652  51.31499       1.779827  1.373428       1.776899  
1 1 1 -21 9  43 o 41.73000 0.7108648 17.43646       0.5929719 16.65082       0.8300217 18.25541       0.8474268 -1.921093      1.421730  
1 1 1 -21 9  44 o 30.90565 0.7148522 9.565225       0.4417573 9.774706       0.6330150 9.366352       0.6167799 0.6591473      1.429704  
1 1 1 -21 9  45 o 62.74859 0.8294470 39.41157       1.039692  40.78148       1.515990  38.19506       1.428592  2.051109       1.658894  
1 1 1 -21 9  46 o 22.10884 0.8461095 4.912679       0.3732999 4.638131       0.5351645 5.172859       0.5209730 -1.210991      1.692219  
1 1 1 -21 9  47 o 32.57358 0.7330370 10.62448       0.4772383 11.18132       0.6853578 10.10033       0.6649389 1.657122       1.466074  
1 1 1 -21 9  48 o 33.81156 0.7370652 11.41857       0.4971930 12.02366       0.7352971 10.90886       0.6748585 1.641644       1.474130  
1 1 1 -21 9  49 o 14.88855 1.153721  2.232700       0.3431597 2.191883       0.4944341 2.270634       0.4766561 -0.2680092     2.307441  
1 1 1 -21 9  50 o 29.19654 0.8094359 8.553359       0.4721505 8.527433       0.6831270 8.577072       0.6533137 -0.8926392E-01 1.618872  
1 1 1 -21 9  51 o 25.74254 0.9626129 6.768839       0.4769573 6.227315       0.7719508 7.103213       0.6065933 -1.729748      1.925226  
1 1 1 -21 9  52 o 30.87351 1.048221  9.519761       0.6429581 11.20820       0.9508443 8.097344       0.8727297 5.022011       2.096442  
1 1 1 -21 9  53 o 10.03926 1.886761  1.020830       0.4207855 1.672355       0.6051589 0.4109696      0.5854895 5.142134       3.773522  
1 1 1 -21 9  54 o 22.78847 1.230677  5.212116       0.5573387 6.106773       0.8199698 4.443840       0.7598509 3.632227       2.461354  
1 1 1 -21 9  55 o 39.64636 1.060366  15.83792       0.8404260 15.54004       1.198792  16.12583       1.178550  -0.7436256     2.120732  
1 1 1 -21 9  56 o 29.60732 1.129592  8.809895       0.6675174 8.127090       0.9139169 9.590680       0.9772906 -2.454060      2.259185  
1 1 1 -21 9  57 o 27.37868 1.184340  7.558452       0.6480590 7.214217       0.8985652 7.931600       0.9355403 -1.299400      2.368680  
1 1 1 -21 9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 10 1  o 106.9364 1.682267  113.7805       3.576974  122.4175       5.423148  107.1297       4.758901  7.112480       3.364535  
1 1 1 -21 10 2  o 73.90060 1.255580  54.60904       1.853650  53.12673       2.549190  56.27222       2.700242  -2.122330      2.511161  
1 1 1 -21 10 3  o 92.41907 1.487097  85.54275       2.748107  86.93792       3.937671  84.21794       3.837100  1.467079       2.974193  
1 1 1 -21 10 4  f 76.88246 1.290341  59.17872       1.983724  58.64194       2.774053  59.74047       2.837855  -0.7120438     2.580682  
1 1 1 -21 10 5  o 31.89044 0.9437050 10.14321       0.6002500 11.26806       0.8746786 9.141933       0.8252406 3.332163       1.887410  
1 1 1 -21 10 6  o 66.68474 1.171665  44.49436       1.562237  45.53464       2.240398  43.50983       2.179533  1.516212       2.343330  
1 1 1 -21 10 7  o 42.37919 0.9649597 17.51775       0.8071356 15.09605       1.044896  21.10057       1.270941  -7.078297      1.929919  
1 1 1 -21 10 8  o 94.24333 1.509800  88.97366       2.845765  89.20886       4.025291  88.73863       4.023748  0.2494125      3.019600  
1 1 1 -21 10 9  o 58.56488 1.084932  34.31757       1.270320  33.91508       1.768862  34.74625       1.825483  -0.7079468     2.169864  
1 1 1 -21 10 10 o 118.4767 1.603869  136.4581       3.426025  150.3169       6.579481  131.3025       4.013001  7.914139       3.207738  
1 1 1 -21 10 11 o 153.4182 1.632198  235.8250       5.007565  233.7948       7.016360  237.9327       7.149039  -1.342636      3.264395  
1 1 1 -21 10 12 o 117.8705 1.276873  139.0681       3.009290  137.2798       4.197278  140.9596       4.316795  -1.556679      2.553747  
1 1 1 -21 10 13 o 81.13846 0.9271755 65.87779       1.504557  66.22032       2.136681  65.54091       2.118958  0.4182129      1.854351  
1 1 1 -21 10 14 f 197.6403 2.083153  392.0193       8.234235  391.3287       11.61782  392.7165       11.67230  -0.3477783     4.166306  
1 1 1 -21 10 15 f 28.07237 0.9662469 7.877513       0.5420189 7.429588       0.7535110 8.357792       0.7802491 -1.652454      1.932494  
1 1 1 -21 10 16 f 52.79714 0.6970190 27.59321       0.7315098 30.59484       1.112268  25.30529       0.9710705 5.006245       1.394038  
1 1 1 -21 10 17 o 73.44927 0.8616461 53.89482       1.264273  52.22203       1.737704  55.77612       1.842827  -2.416504      1.723292  
1 1 1 -21 10 18 o 124.0668 1.340855  153.9732       3.323442  158.4746       4.838699  149.9532       4.572688  3.422409       2.681709  
1 1 1 -21 10 19 o 62.37459 0.7678074 38.64313       0.9532300 36.17274       1.274113  41.78384       1.436609  -4.493702      1.535615  
1 1 1 -21 10 20 o 120.8625 1.309539  146.2806       3.164798  148.1248       4.532759  144.5265       4.420745  1.483589       2.619078  
1 1 1 -21 10 21 o 133.2273 1.432649  177.5974       3.812647  172.8652       5.238137  182.9292       5.560044  -3.760620      2.865298  
1 1 1 -21 10 22 o 52.11292 0.6962047 27.13890       0.7251678 26.20989       1.004275  28.15099       1.048220  -1.861229      1.392409  
1 1 1 -21 10 23 o 81.66960 0.9373364 66.66120       1.529244  64.68092       2.101877  68.88840       2.229079  -2.570961      1.874673  
1 1 1 -21 10 24 o 59.81263 0.7546259 35.74216       0.9017370 37.01893       1.313244  34.60316       1.240372  2.017033       1.509252  
1 1 1 -21 10 25 f 80.80487 0.9304786 65.26963       1.502138  63.38307       2.067161  67.38039       2.186552  -2.468422      1.860957  
1 1 1 -21 10 26 o 29.91304 0.6105482 8.770532       0.3614560 10.63770       0.5569840 7.412109       0.4750818 5.389296       1.221096  
1 1 1 -21 10 27 o 66.29470 0.8109314 43.92307       1.074247  42.46139       1.481344  45.54441       1.560147  -2.322144      1.621863  
1 1 1 -21 10 28 o 20.10611 0.7602174 3.874859       0.2975455 4.812699       0.4954194 3.345692       0.3721389 3.643381       1.520435  
1 1 1 -21 10 29 f 18.71305 0.8768436 3.483300       0.3270776 3.875672       0.4844110 3.154527       0.4434178 1.924942       1.753687  
1 1 1 -21 10 30 o 11.69184 1.184679  1.366774       0.2766936 1.441494       0.4031668 1.300245       0.3804300 0.6025782      2.369357  
1 1 1 -21 10 31 o 15.50065 0.9797248 2.403639       0.3033254 2.584399       0.4364711 2.234797       0.4218368 1.126880       1.959450  
1 1 1 -21 10 32 f 58.87734 0.9116653 34.44743       1.021685  33.85829       1.258744  35.58499       1.749112  -1.438812      1.823331  
1 1 1 -21 10 33 o 30.59576 0.6822475 9.373461       0.4151432 10.72219       0.5966620 8.107848       0.5779855 4.271511       1.364495  
1 1 1 -21 10 34 f 87.02850 1.000372  75.84569       1.740497  74.43091       2.419497  77.36298       2.505631  -1.678520      2.000744  
1 1 1 -21 10 35 o 43.17566 0.6751506 18.58711       0.5817861 19.81065       0.8570956 17.54167       0.7922631 2.624424       1.350301  
1 1 1 -21 10 36 o 97.91233 1.103957  96.13467       2.161812  96.19459       3.062039  96.07512       3.052511  0.6016541E-01  2.207915  
1 1 1 -21 10 37 o 45.95411 0.6953830 21.01462       0.6368076 22.64946       0.9513289 19.68737       0.8571759 3.217281       1.390766  
1 1 1 -21 10 38 o 56.62183 0.7636582 32.10860       0.8647208 32.15063       1.231344  32.06772       1.214627  0.7203293E-01  1.527316  
1 1 1 -21 10 39 o 31.88459 0.6888619 10.16226       0.4374872 8.944207       0.6051439 11.49592       0.6332107 -3.999517      1.377724  
1 1 1 -21 10 40 o 71.80564 0.8843766 51.64178       1.269475  50.44867       1.762721  52.92738       1.829772  -1.719742      1.768753  
1 1 1 -21 10 41 o 38.96741 0.8980855 14.71046       0.6445174 13.96844       0.7645510 16.53287       1.198184  -3.247555      1.796171  
1 1 1 -21 10 42 o 89.52825 1.041762  80.42909       1.865034  81.31519       2.666920  79.58097       2.609142  0.9613647      2.083524  
1 1 1 -21 10 43 o 39.30154 0.7011358 15.46847       0.5508394 15.62449       0.7932804 15.32321       0.7654727 0.3808060      1.402272  
1 1 1 -21 10 44 o 39.56026 0.7181013 15.64472       0.5673301 14.53161       0.7831647 16.87383       0.8229660 -2.956467      1.436203  
1 1 1 -21 10 45 o 33.35651 0.7255229 11.14916       0.4835494 11.15559       0.6994880 11.14328       0.6692010 0.1543427E-01  1.451046  
1 1 1 -21 10 46 o 30.41862 0.7506046 9.276997       0.4565170 9.075668       0.6480585 9.475314       0.6431938 -0.6574440     1.501209  
1 1 1 -21 10 47 o 15.28833 1.088271  2.346695       0.3323598 2.396368       0.4839426 2.302351       0.4572480 0.3031006      2.176543  
1 1 1 -21 10 48 o 26.10988 0.8032071 6.749038       0.4162770 8.012228       0.6276258 5.756896       0.5562286 4.309315       1.606414  
1 1 1 -21 10 49 o 34.93665 0.7649804 12.25387       0.5337704 11.52996       0.7559105 12.97378       0.7538247 -2.066608      1.529961  
1 1 1 -21 10 50 f 38.66036 0.8072921 15.00080       0.6181853 14.95624       0.9410889 15.03462       0.8198828 -0.1187897     1.614584  
1 1 1 -21 10 51 f 19.43466 1.130637  3.693830       0.4323089 4.442614       0.6916667 3.213777       0.5538127 3.131506       2.261273  
1 1 1 -21 10 52 o 21.90393 1.218161  4.841784       0.5332077 5.031623       0.7505950 4.648388       0.7575929 0.8765144      2.436321  
1 1 1 -21 10 53 o 34.49242 1.403124  12.46613       0.8642769 11.07837       1.593245  13.04478       1.028804  -3.019302      2.806247  
1 1 1 -21 10 54 o 25.39617 1.276186  6.567732       0.6323815 6.264357       0.9986686 6.770803       0.8170640 -1.047920      2.552372  
1 1 1 -21 10 55 o 37.12955 1.138175  13.97823       0.8402734 13.00285       1.228054  14.83688       1.152220  -2.490063      2.276351  
1 1 1 -21 10 56 o 28.58502 1.270714  8.251351       0.7091339 8.327075       1.135182  8.202889       0.9081270 0.1451092      2.541427  
1 1 1 -21 10 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 11 1  o 50.69289 1.032218  25.53437       1.041862  23.78701       1.395181  27.73717       1.566484  -3.890125      2.064436  
1 1 1 -21 11 2  o 108.0455 1.699132  116.8646       3.667224  120.8722       5.348317  113.3085       5.038053  3.482460       3.398263  
1 1 1 -21 11 3  o 80.07657 1.336808  64.22935       2.140913  64.66953       3.035065  63.79341       3.020402  0.5463943      2.673616  
1 1 1 -21 11 4  o 76.27936 1.293358  57.78469       1.962144  62.86792       2.972441  53.85912       2.612127  5.889740       2.586715  
1 1 1 -21 11 5  f 33.83617 0.9551700 11.46033       0.6458092 12.09585       0.9182860 10.83839       0.9084181 1.857845       1.910340  
1 1 1 -21 11 6  o 102.3821 1.622552  104.5662       3.310570  110.8828       4.940989  99.42036       4.459631  5.572655       3.245105  
1 1 1 -21 11 7  o 33.44109 0.9613061 11.20143       0.6423909 11.49277       0.8979750 10.89605       0.9193583 0.8928566      1.922612  
1 1 1 -21 11 8  o 103.7001 1.139391  107.1419       2.354218  113.4549       3.518206  102.0231       3.168000  5.499222       2.278783  
1 1 1 -21 11 9  o 65.27840 0.7852544 42.47468       1.022691  44.89965       1.512377  40.43158       1.388197  3.419212       1.570509  
1 1 1 -21 11 10 o 69.18129 0.8902938 48.09373       1.224079  49.95956       1.660560  45.87332       1.811488  2.957558       1.780588  
1 1 1 -21 11 11 o 65.41070 0.9928183 43.80527       1.239396  46.45333       1.564378  39.34104       2.031191  5.451202       1.985637  
1 1 1 -21 11 12 f 91.03416 1.475256  82.99951       2.685159  84.52948       3.855816  81.55889       3.741538  1.626114       2.950512  
1 1 1 -21 11 13 o 70.02576 1.220468  48.61164       1.698672  53.51831       2.584387  44.87950       2.253944  6.155075       2.440936  
1 1 1 -21 11 14 o 44.30584 0.9819705 19.50222       0.8668759 21.53416       1.294024  17.84793       1.167596  4.155876       1.963941  
1 1 1 -21 11 15 o 47.52131 0.8532193 21.04061       0.7039332 25.78235       1.468074  19.62493       0.8021621 6.459755       1.706439  
1 1 1 -21 11 16 o 97.72154 1.085333  95.41239       2.117943  98.88819       3.100832  92.37282       2.899721  3.326256       2.170666  
1 1 1 -21 11 17 o 101.4651 1.122452  102.9232       2.275084  106.1020       3.316300  100.0970       3.126951  2.951820       2.244903  
1 1 1 -21 11 18 o 137.3834 1.473847  188.6321       4.040522  196.5537       5.959114  181.8912       5.497128  5.312332       2.947694  
1 1 1 -21 11 19 o 47.38531 0.6599553 22.41479       0.6246541 23.44429       0.9118583 21.50451       0.8574396 2.045490       1.319911  
1 1 1 -21 11 20 o 105.2538 1.158304  110.8807       2.437123  113.0629       3.513568  108.8572       3.383344  1.991959       2.316608  
1 1 1 -21 11 21 f 63.93213 0.7821292 40.88684       0.9997700 40.26601       1.393568  41.54524       1.435124  -0.9990845     1.564258  
1 1 1 -21 11 22 o 55.10664 0.7142197 29.91099       0.7794517 33.80384       1.210262  27.15187       1.018897  6.029491       1.428439  
1 1 1 -21 11 23 o 65.02654 0.7958739 42.29598       1.034688  43.13897       1.487749  41.50627       1.439961  1.253693       1.591748  
1 1 1 -21 11 24 o 63.92856 0.9359667 41.56137       1.168350  37.56710       1.811656  44.40548       1.528732  -5.360519      1.871933  
1 1 1 -21 11 25 o 66.10046 1.102697  43.67678       1.455694  45.34795       2.128932  42.20940       1.994919  2.367004       2.205395  
1 1 1 -21 11 26 o 96.20352 1.500445  92.64584       2.882225  89.55168       3.941949  96.20013       4.224910  -3.434158      3.000891  
1 1 1 -21 11 27 o 82.99184 1.324848  68.69679       2.190298  72.94223       3.278809  65.27559       2.943369  4.595642       2.649696  
1 1 1 -21 11 28 o 68.57806 1.001686  46.91587       1.306226  46.50832       1.610717  47.69879       2.232476  -0.8347244     2.003372  
1 1 1 -21 11 29 o 94.08497 1.477216  88.61728       2.774554  92.07006       4.075523  85.63469       3.787871  3.396393       2.954433  
1 1 1 -21 11 30 o 84.28178 0.9716731 71.06468       1.636472  69.30807       2.258284  73.00714       2.374748  -2.187813      1.943346  
1 1 1 -21 11 31 o 46.13943 0.6819464 21.20548       0.6276929 19.87547       0.8516298 22.78731       0.9287606 -3.152096      1.363893  
1 1 1 -21 11 32 o 32.66555 0.6426488 10.67525       0.4193182 10.75344       0.6095372 10.60501       0.5777497 0.2257652      1.285298  
1 1 1 -21 11 33 o 44.08020 0.6797837 19.40634       0.5986237 18.28980       0.8258272 20.64262       0.8689842 -2.666744      1.359567  
1 1 1 -21 11 34 o 17.92286 0.7959055 3.231997       0.2838864 2.926959       0.4074517 3.519774       0.3957557 -1.654484      1.591811  
1 1 1 -21 11 35 o 25.57008 0.6800246 6.533638       0.3474378 6.824100       0.5048118 6.272217       0.4789132 1.077723       1.360049  
1 1 1 -21 11 36 o 32.44691 0.6664786 10.33622       0.4283110 12.33635       0.6603598 8.883763       0.5627323 5.314783       1.332957  
1 1 1 -21 11 37 o 54.98499 0.7512864 30.28080       0.8261163 30.02214       1.172791  30.53554       1.163870  -0.4674759     1.502573  
1 1 1 -21 11 38 o 29.21052 0.6868674 8.494758       0.3996058 9.069892       0.5992197 8.034125       0.5362629 1.768528       1.373735  
1 1 1 -21 11 39 o 60.69865 0.7990162 36.89524       0.9695910 37.51511       1.395243  36.31632       1.348375  0.9835510      1.598032  
1 1 1 -21 11 40 o 82.17271 0.9733370 67.56045       1.597051  64.98164       2.184153  70.52333       2.341155  -3.355042      1.946674  
1 1 1 -21 11 41 o 110.4827 1.236642  122.5883       2.730661  125.2770       3.950753  120.1289       3.778480  2.304619       2.473283  
1 1 1 -21 11 42 f 72.50685 0.8983705 52.67358       1.302004  51.27724       1.804056  54.19154       1.880974  -2.000931      1.796741  
1 1 1 -21 11 43 o 52.80577 0.7666352 27.87186       0.8081277 29.12365       1.188070  26.79399       1.102457  2.197083       1.533270  
1 1 1 -21 11 44 o 15.10079 1.043565  2.290915       0.3138466 2.279521       0.4650524 2.300444       0.4252993 -0.7496166E-01 2.087130  
1 1 1 -21 11 45 o 25.71283 0.7739144 6.646023       0.3955675 5.759861       0.5557105 7.556226       0.5631984 -3.492292      1.547829  
1 1 1 -21 11 46 o 34.70643 0.7504482 12.07536       0.5203809 12.03949       0.7524529 12.10824       0.7204491 -0.1026115     1.500896  
1 1 1 -21 11 47 o 28.97028 0.8083135 8.442142       0.4642727 8.227199       0.6995519 8.611343       0.6206654 -0.6734276     1.616627  
1 1 1 -21 11 48 o 21.89058 0.9337943 4.831005       0.4030932 4.698991       0.6197979 4.927773       0.5306482 -0.5371151     1.867589  
1 1 1 -21 11 49 o 39.48167 0.8332908 15.68722       0.6453400 15.40715       1.012349  15.87895       0.8375852 -0.6231270     1.666582  
1 1 1 -21 11 50 o 11.69253 1.919541  1.542943       0.4167061 1.062953       0.7897733 1.728119       0.4905451 -2.785000      3.839082  
1 1 1 -21 11 51 o 34.97433 1.090019  12.30555       0.7523354 12.36545       1.163565  12.26251       0.9862194 0.1087761      2.180038  
1 1 1 -21 11 52 o 22.70915 1.303755  4.997438       0.5755052 6.129587       0.9622226 4.366876       0.7181054 3.812340       2.607511  
1 1 1 -21 11 53 o 11.66206 2.073510  1.536642       0.5117116 0.7348838      0.8572943 1.980391       0.6377884 -4.594915      4.147020  
1 1 1 -21 11 54 o 8.149109 2.174759  0.5123658      0.4901168 0.9814113E-01  0.8393502 0.7266753      0.6037346 -1.049731      4.349517  
1 1 1 -21 11 55 o 28.63449 1.245929  8.356241       0.6985041 7.942036       1.091052  8.643926       0.9092755 -1.281963      2.491858  
1 1 1 -21 11 56 o 36.62631 1.695074  13.71272       1.236373  12.24686       1.744790  15.19110       1.752224  -4.016235      3.390147  
1 1 1 -21 12 1  o 61.12798 1.132926  37.15420       1.379599  40.50619       2.066085  34.45708       1.853308  4.938282       2.265853  
1 1 1 -21 12 2  o 123.8656 1.920136  154.0087       4.756009  152.5709       6.655208  155.5092       6.799126  -1.175560      3.840272  
1 1 1 -21 12 3  o 26.02788 1.054908  6.612184       0.5393497 5.111498       0.7078969 8.688804       0.8327287 -6.867273      2.109817  
1 1 1 -21 12 4  o 23.54808 1.094368  5.545805       0.5148724 5.427531       0.7093058 5.677530       0.7485579 -0.5292950     2.188736  
1 1 1 -21 12 5  o 101.4163 1.614588  102.8367       3.268442  107.4461       4.809252  98.88036       4.455537  4.203049       3.229176  
1 1 1 -21 12 6  o 15.51382 1.383687  2.443140       0.4213715 2.967472       0.5941656 1.912607       0.5976683 3.399922       2.767375  
1 1 1 -21 12 7  o 145.4852 2.223052  212.3391       6.460411  219.2253       9.423787  206.2331       8.873797  4.423004       4.446105  
1 1 1 -21 12 8  o 59.68238 1.122382  35.35790       1.331587  33.05492       1.768685  38.37126       2.023164  -4.444042      2.244764  
1 1 1 -21 12 9  o 103.1869 1.135041  106.2606       2.336527  111.3199       3.455575  101.9992       3.171382  4.505356       2.270081  
1 1 1 -21 12 10 o 49.46088 0.6591518 24.30346       0.6494248 26.40498       0.9732305 22.61659       0.8719452 3.827393       1.318304  
1 1 1 -21 12 11 o 75.56570 0.8773685 56.96327       1.322944  59.73294       1.952784  54.61378       1.798566  3.382545       1.754737  
1 1 1 -21 12 12 o 80.27254 0.9217547 64.04155       1.472181  68.77581       2.223053  60.34354       1.964748  5.243980       1.843509  
1 1 1 -21 12 13 o 71.81745 0.8445199 51.61056       1.212960  51.28734       1.704758  51.94196       1.726213  -0.4551239     1.689040  
1 1 1 -21 12 14 o 38.93355 0.6038332 15.13455       0.4696617 15.78376       0.6842891 14.55634       0.6457858 1.575462       1.207666  
1 1 1 -21 12 15 o 25.15887 0.6627519 6.483316       0.3253424 7.729480       0.4466406 5.074696       0.4748623 5.276716       1.325504  
1 1 1 -21 12 16 f 52.61098 0.9539856 28.06868       0.9859733 30.02792       1.306700  25.47843       1.502459  4.330864       1.907971  
1 1 1 -21 12 17 o 80.48250 1.349005  64.74483       2.167748  67.66728       3.180624  62.20979       2.962322  3.378510       2.698010  
1 1 1 -21 12 18 o 109.7820 1.728083  120.8662       3.792217  123.5280       5.472631  118.4076       5.259712  2.316414       3.456166  
1 1 1 -21 12 19 o 174.1158 2.638389  305.7390       9.186302  303.1404       12.85920  308.4474       13.12775  -1.492813      5.276778  
1 1 1 -21 12 20 o 107.1496 2.400831  0.000000       0.000000  ?              ?         115.2301       5.144961  ?              ?         
1 1 1 -21 12 21 o 50.56553 1.289356  0.000000       0.000000  ?              ?         25.59610       1.303940  ?              ?         
1 1 1 -21 12 22 f 11.73497 1.425943  1.336918       0.2842368 1.550699       0.5788511 1.268995       0.3262817 0.9555826      2.851886  
1 1 1 -21 12 23 o 45.87183 0.8838593 20.85604       0.8067580 18.90872       1.077835  23.33695       1.216579  -4.820827      1.767719  
1 1 1 -21 12 24 o 78.02129 1.258491  60.95851       1.962744  59.48405       2.722133  62.55512       2.832642  -1.961121      2.516982  
1 1 1 -21 12 25 o 30.64007 0.7078539 9.366890       0.4269976 9.238664       0.5550290 9.552835       0.6683767 -0.5085030     1.415708  
1 1 1 -21 12 26 o 81.38081 0.9439883 66.19174       1.534225  68.56889       2.243926  64.10494       2.102424  2.735451       1.887977  
1 1 1 -21 12 27 f 47.11335 0.9063345 22.04003       0.8489726 23.88880       1.288439  20.62144       1.128627  3.459576       1.812669  
1 1 1 -21 12 28 o 77.18897 0.9110986 59.24707       1.399348  63.64365       2.112319  55.80847       1.868068  5.062546       1.822197  
1 1 1 -21 12 29 o 91.51782 1.040187  83.91305       1.903911  83.76207       2.689704  84.06467       2.695377  -0.1649551     2.080375  
1 1 1 -21 12 30 o 62.40775 0.7918556 38.72528       0.9843751 36.08527       1.321532  42.01571       1.475371  -4.743103      1.583711  
1 1 1 -21 12 31 o 25.48521 0.6835399 6.495427       0.3469221 6.560273       0.5161178 6.441979       0.4685659 0.2297993      1.367080  
1 1 1 -21 12 32 o 58.17662 0.7661921 33.61363       0.8874779 31.07277       1.188259  36.81898       1.334618  -4.930664      1.532384  
1 1 1 -21 12 33 o 61.32013 0.7899126 37.45965       0.9652687 39.86567       1.441328  35.50292       1.299807  3.548752       1.579825  
1 1 1 -21 12 34 o 59.51688 0.7817838 35.47413       0.9304563 35.41796       1.326461  35.52855       1.305517  -0.9425735E-01 1.563568  
1 1 1 -21 12 35 o 37.26563 0.6903638 13.70482       0.5098821 11.45004       0.6803018 16.59491       0.7702017 -6.897583      1.380728  
1 1 1 -21 12 36 o 63.57168 0.8159507 40.47422       1.036928  40.83542       1.492555  40.13725       1.441646  0.5451851      1.631901  
1 1 1 -21 12 37 o 19.32248 0.8316683 3.722616       0.3173450 3.854768       0.4930542 3.629153       0.4146480 0.5771217      1.663337  
1 1 1 -21 12 38 o 74.50610 0.9108051 55.64898       1.357198  55.32096       1.917779  55.97811       1.920959  -0.4407043     1.821610  
1 1 1 -21 12 39 o 56.08521 0.7814925 31.26778       0.8730668 28.61608       1.173428  34.55603       1.306703  -5.283859      1.562985  
1 1 1 -21 12 40 o 73.17807 0.9052753 53.69757       1.324885  53.13346       1.871108  54.26478       1.876242  -0.7724380     1.810551  
1 1 1 -21 12 41 o 42.19374 0.7342855 17.85437       0.6189491 16.95755       0.8781866 18.73960       0.8724934 -2.112278      1.468571  
1 1 1 -21 12 42 o 47.63147 0.7504634 22.70417       0.7137377 23.26387       1.044678  22.21420       0.9774293 1.095097       1.500927  
1 1 1 -21 12 43 o 6.695168 1.666229  0.3563556      0.3045844 -0.5499987E-01 0.4768982 0.6397512      0.3958344 -2.414306      3.332458  
1 1 1 -21 12 44 o 11.26687 1.508757  1.407246       0.3171273 0.9274634      0.5004644 1.729150       0.4099335 -3.700246      3.017514  
1 1 1 -21 12 45 o 35.30402 0.7529038 12.44207       0.5284540 12.94462       0.7982536 12.04999       0.7050824 1.256683       1.505808  
1 1 1 -21 12 46 o 45.13805 0.7700436 20.29435       0.6920824 17.84849       0.9403555 23.18490       1.022273  -5.901020      1.540087  
1 1 1 -21 12 47 o 29.74162 0.8131569 8.772068       0.4808482 9.934977       0.7284617 7.874123       0.6401160 3.452007       1.626314  
1 1 1 -21 12 48 o 30.31605 0.8857363 9.470377       0.5186633 8.136792       0.8135489 10.38358       0.6732181 -3.727095      1.771473  
1 1 1 -21 12 49 o 7.164083 1.885161  0.3487995      0.4055029 -0.6709433     0.7852481 0.7196212      0.4735264 -2.467978      3.770322  
1 1 1 -21 12 50 o 60.77499 1.173752  37.24337       1.425832  36.19052       2.031107  38.26632       2.002069  -1.714523      2.347504  
1 1 1 -21 12 51 o 40.73242 1.080866  16.70280       0.8755103 16.73211       1.310243  16.67916       1.176796  0.3495789E-01  2.161733  
1 1 1 -21 12 52 o 64.92522 1.226552  42.53284       1.591931  40.73148       2.228308  44.41061       2.275083  -2.820610      2.453105  
1 1 1 -21 12 53 o 13.60355 1.953071  1.616383       0.5090821 3.261349       0.9197855 0.8899224      0.6112435 8.533841       3.906143  
1 1 1 -21 12 54 f 31.88127 1.166411  10.22744       0.7283056 10.42039       1.158068  10.10120       0.9367411 0.4375648      2.332822  
1 1 1 -21 12 55 o 14.60721 2.044474  2.186618       0.5636539 2.662344       0.9226190 1.903327       0.7119666 2.438107       4.088947  
1 1 1 -21 12 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 13 1  o 88.46462 1.454037  78.36306       2.570307  80.94548       3.732852  76.03482       3.544391  2.763138       2.908074  
1 1 1 -21 13 2  o 22.10941 1.211613  4.859850       0.5203854 6.635648       0.7779712 3.421952       0.7000527 7.263601       2.423225  
1 1 1 -21 13 3  f 90.80699 1.483446  82.67346       2.693815  81.96160       3.774428  83.41251       3.845837  -0.7942123     2.966892  
1 1 1 -21 13 4  o 89.87387 1.471258  80.72587       2.637699  77.56741       3.578604  84.48294       3.903013  -3.826599      2.942515  
1 1 1 -21 13 5  o 28.59392 1.048975  8.199598       0.5988418 8.466904       0.8316725 7.911794       0.8629749 0.9720802      2.097951  
1 1 1 -21 13 6  o 12.70335 1.713900  1.615458       0.4260060 0.7039891      0.5627283 2.839099       0.6520111 -8.254938      3.427800  
1 1 1 -21 13 7  o 75.66400 1.293622  57.23405       1.954087  55.33953       2.668830  59.42342       2.869008  -2.687912      2.587245  
1 1 1 -21 13 8  f 33.80519 0.9999261 11.43902       0.6746336 12.46170       0.9657534 10.46435       0.9428123 2.953262       1.999852  
1 1 1 -21 13 9  o 167.0464 2.536234  279.9671       8.443148  268.1138       11.38034  294.4795       12.59226  -7.764893      5.072468  
1 1 1 -21 13 10 o 104.2566 1.146536  108.8365       2.390221  107.6419       3.341222  110.0886       3.420748  -1.169670      2.293073  
1 1 1 -21 13 11 o 50.34036 0.6684497 24.71499       0.6625890 21.88964       0.8506050 29.07482       1.056641  -7.130836      1.336899  
1 1 1 -21 13 12 o 143.0482 1.531317  205.1989       4.380976  205.8584       6.215948  204.5478       6.175522  0.4554749      3.062633  
1 1 1 -21 13 13 o 92.72499 1.038051  86.09051       1.925047  86.43958       2.729501  85.74503       2.715409  0.3738937      2.076101  
1 1 1 -21 13 14 o 92.97861 1.044636  86.37805       1.939206  83.55383       2.650116  89.63331       2.845162  -3.260384      2.089272  
1 1 1 -21 13 15 o 82.26185 0.9431498 67.65417       1.550177  69.72234       2.253756  65.79720       2.135578  2.380829       1.886300  
1 1 1 -21 13 16 o 68.66982 1.223298  46.82437       1.669995  43.61486       2.218587  51.02031       2.536713  -5.374626      2.446597  
1 1 1 -21 13 17 o 83.63675 1.158240  69.99196       1.837489  70.32091       3.147514  69.82189       2.263185  0.2525711      2.316479  
1 1 1 -21 13 18 o 77.51428 1.241090  60.04045       1.920391  57.67986       2.619458  62.78355       2.823715  -3.280479      2.482180  
1 1 1 -21 13 19 o 46.27559 0.8634518 21.42239       0.7986655 21.79482       1.153078  21.07896       1.107280  0.7716331      1.726904  
1 1 1 -21 13 20 o 104.5189 1.611830  109.6052       3.368844  108.4378       4.715859  110.8218       4.814193  -1.132866      3.223660  
1 1 1 -21 13 21 o 19.37282 0.7588800 3.759834       0.2927970 3.798638       0.3974177 3.713764       0.4330249 0.2203884      1.517760  
1 1 1 -21 13 22 f 17.66148 1.153035  3.506439       0.3390957 3.925076       0.3988975 2.415714       0.6438729 4.286118       2.306069  
1 1 1 -21 13 23 o 72.77706 1.086188  53.78897       1.499674  55.47673       1.864100  50.69249       2.524922  3.324127       2.172376  
1 1 1 -21 13 24 o 48.10124 1.056665  22.83076       1.008240  20.49366       1.326768  26.02502       1.551103  -5.736893      2.113330  
1 1 1 -21 13 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 13 26 o 58.50234 1.139842  34.29914       1.333593  34.54350       1.880588  34.05196       1.891428  0.4208183      2.279683  
1 1 1 -21 13 27 o 109.7269 1.742114  121.0212       3.822825  120.3032       5.366198  121.7612       5.447295  -0.6557541     3.484228  
1 1 1 -21 13 28 o 105.3062 1.688298  111.3879       3.553556  114.2560       5.136963  108.7559       4.920967  2.587189       3.376596  
1 1 1 -21 13 29 o 95.48219 1.408001  91.97340       2.650085  88.75364       4.070869  94.34144       3.491143  -2.983040      2.816001  
1 1 1 -21 13 30 o 54.08164 0.9343138 29.98378       0.9518189 27.17853       1.607827  31.49732       1.180998  -4.020100      1.868628  
1 1 1 -21 13 31 o 97.34299 1.353367  96.07075       2.508013  91.94156       4.208570  98.34472       3.123163  -3.395447      2.706735  
1 1 1 -21 13 32 o 70.06898 0.9354973 48.88163       1.285469  50.75419       2.045441  47.65927       1.652603  2.179024       1.870995  
1 1 1 -21 13 33 o 34.48153 0.6799942 11.81632       0.4662513 12.68382       0.7064513 11.14682       0.6206143 2.223801       1.359988  
1 1 1 -21 13 34 f 51.76291 0.7323753 26.56069       0.7531292 29.13297       1.148957  24.62283       0.9972522 4.346569       1.464751  
1 1 1 -21 13 35 o 23.78811 0.7487363 5.603089       0.3520402 6.074117       0.5494427 5.275055       0.4585215 1.672884       1.497473  
1 1 1 -21 13 36 o 45.58794 0.7134693 20.80587       0.6500510 19.73517       0.9101257 21.92089       0.9287798 -2.395878      1.426939  
1 1 1 -21 13 37 f 35.50091 0.6966427 12.63777       0.4932889 12.38262       0.7206048 12.86278       0.6766955 -0.6795235     1.393285  
1 1 1 -21 13 38 o 18.98394 0.9182411 3.740755       0.3364568 2.819577       0.4996121 4.505222       0.4551353 -4.444128      1.836482  
1 1 1 -21 13 39 o 16.45490 0.9815794 2.651566       0.3182787 3.102530       0.5059184 2.356171       0.4094588 2.256516       1.963159  
1 1 1 -21 13 40 o 51.73278 0.8970981 26.83453       0.9276493 27.01381       1.336809  26.66803       1.288322  0.3286400      1.794196  
1 1 1 -21 13 41 o 17.10667 0.9924015 2.958582       0.3320639 2.830869       0.5214850 3.045682       0.4306605 -0.6398773     1.984803  
1 1 1 -21 13 42 o 52.40907 0.7706786 27.53458       0.8075576 27.34964       1.154407  27.71182       1.130099  -0.3481064     1.541357  
1 1 1 -21 13 43 o 32.47817 0.7484574 10.47315       0.4833569 11.49643       0.7334180 9.687426       0.6426748 2.775106       1.496915  
1 1 1 -21 13 44 f 31.59966 0.7665110 10.02649       0.4830637 9.762086       0.7047808 10.26077       0.6634056 -0.7937374     1.533022  
1 1 1 -21 13 45 o 43.16654 0.7655529 18.67898       0.6601211 17.45187       0.9242547 19.95675       0.9431363 -2.899086      1.531106  
1 1 1 -21 13 46 o 31.79211 0.7868600 10.19024       0.4964814 9.657906       0.7380513 10.63023       0.6709912 -1.538378      1.573720  
1 1 1 -21 13 47 o 50.03865 0.8545748 25.32496       0.8467438 23.46812       1.261469  26.84763       1.142329  -3.394760      1.709150  
1 1 1 -21 13 48 o 31.15831 0.9867266 9.631141       0.5804687 10.13825       1.014665  9.384436       0.7077172 1.154654       1.973453  
1 1 1 -21 13 49 o 29.33617 1.142049  8.889559       0.6528875 7.086599       0.9658577 10.40654       0.8859530 -5.676043      2.284099  
1 1 1 -21 13 50 o 33.83276 1.082563  11.36830       0.7190841 12.31982       1.149315  10.75623       0.9217925 2.260262       2.165126  
1 1 1 -21 13 51 o 82.90691 1.428098  69.62589       2.367582  68.06673       3.344412  71.19227       3.352136  -1.882515      2.856197  
1 1 1 -21 13 52 o 19.84451 2.173934  4.667756       0.6679430 3.181927       1.344594  5.154542       0.7696198 -5.510862      4.347868  
1 1 1 -21 13 53 o 72.08091 1.644632  52.59756       2.174368  53.70747       3.976220  52.12406       2.597081  0.5639496      3.289264  
1 1 1 -21 13 54 o 7.192780 2.956346  0.000000       0.000000  ?              ?         0.1942954      0.6829630 ?              ?         
1 1 1 -21 13 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 14 1  f 9.050502 1.979112  0.7542240      0.4109260 0.3996708      0.5496159 1.203639       0.6187885 -3.395689      3.958224  
1 1 1 -21 14 2  o 75.08975 1.295498  56.51192       1.945496  56.41315       2.738178  56.61261       2.764706  -0.1311646     2.590995  
1 1 1 -21 14 3  o 58.54498 1.121239  34.33086       1.312792  34.81971       1.863200  33.84890       1.850007  0.8284225      2.242477  
1 1 1 -21 14 4  o 58.89706 1.130470  34.60536       1.328869  37.17877       1.955565  32.39757       1.811321  4.051353       2.260940  
1 1 1 -21 14 5  o 34.04900 1.018214  11.58709       0.6917666 12.75384       1.000394  10.51798       0.9576188 3.281296       2.036429  
1 1 1 -21 14 6  o 113.2875 1.785667  128.8481       4.045105  127.7305       5.656207  130.0181       5.787330  -0.9989243     3.571334  
1 1 1 -21 14 7  o 26.05430 1.079337  6.778426       0.5610036 6.534207       0.7616641 7.068026       0.8294165 -1.021093      2.158674  
1 1 1 -21 14 8  o 66.08284 1.192883  43.22165       1.563468  39.89460       2.056080  47.78283       2.407405  -5.949310      2.385767  
1 1 1 -21 14 9  o 99.19359 1.594996  98.45963       3.157560  95.01100       4.300526  102.4932       4.650961  -3.746025      3.189992  
1 1 1 -21 14 10 o 49.77729 0.6652431 24.77996       0.6620393 25.21591       0.9519230 24.37157       0.9213551 0.8471947      1.330486  
1 1 1 -21 14 11 o 134.7961 1.449053  182.1936       3.906533  182.2617       5.525647  182.1256       5.523697  0.5035400E-01  2.898105  
1 1 1 -21 14 12 o 50.25278 0.6737553 24.96531       0.6722915 27.82075       1.029010  22.83874       0.8880219 4.952579       1.347511  
1 1 1 -21 14 13 o 103.8433 1.149164  107.8405       2.383672  104.6185       3.273410  111.4777       3.477922  -3.291794      2.298327  
1 1 1 -21 14 14 f 76.14864 1.082999  55.75225       1.502593  63.70409       2.856863  52.71128       1.766696  7.163284       2.165997  
1 1 1 -21 14 15 o 96.61153 1.492722  93.36939       2.878497  89.93995       3.923464  97.36717       4.236109  -3.821747      2.985444  
1 1 1 -21 14 16 f 35.71212 0.9251121 12.20854       0.6003330 14.10839       1.149400  11.49584       0.7039874 3.638115       1.850224  
1 1 1 -21 14 17 o 47.57692 0.8767536 22.45580       0.8301600 20.61362       1.109086  24.80292       1.251890  -4.396507      1.753507  
1 1 1 -21 14 18 o 52.62271 0.8194352 27.85399       0.8377700 28.30731       1.069675  27.13473       1.347396  1.125507       1.638870  
1 1 1 -21 14 19 o 54.71183 0.7226356 29.92858       0.7901898 30.68250       1.143519  29.23959       1.093175  1.316765       1.445271  
1 1 1 -21 14 20 f 75.68902 0.8919929 57.33532       1.349967  56.40920       1.884429  58.31166       1.934852  -1.254379      1.783986  
1 1 1 -21 14 21 o 108.4147 1.197356  117.7507       2.595460  119.5007       3.725251  116.0999       3.618160  1.561531       2.394713  
1 1 1 -21 14 22 o 75.10733 1.215085  56.13419       1.814895  60.22765       2.748490  52.96939       2.416700  4.809853       2.430169  
1 1 1 -21 14 23 o 76.15477 0.8995470 57.64187       1.362765  62.09564       2.060568  54.17939       1.816841  5.185158       1.799094  
1 1 1 -21 14 24 o 77.09944 0.9103332 59.17764       1.397795  63.18981       2.096962  55.96939       1.875145  4.670723       1.820666  
1 1 1 -21 14 25 o 87.28332 1.000614  76.25742       1.745708  74.64203       2.418980  78.01308       2.521840  -1.924683      2.001229  
1 1 1 -21 14 26 o 81.36703 0.9496856 66.31184       1.545328  65.76497       2.168222  66.87639       2.203042  -0.6807480     1.899371  
1 1 1 -21 14 27 o 52.20805 0.7178968 27.26345       0.7491485 27.86884       1.082370  26.70676       1.037938  1.110695       1.435794  
1 1 1 -21 14 28 o 94.74414 1.071907  89.96811       2.031130  89.70034       2.867615  90.23769       2.877312  -0.2828598     2.143814  
1 1 1 -21 14 29 o 57.28591 0.7607652 32.79770       0.8708081 31.47726       1.200505  34.26392       1.265046  -2.428669      1.521530  
1 1 1 -21 14 30 o 128.7831 1.402756  166.4602       3.610982  163.2167       5.006288  169.9776       5.213407  -2.601952      2.805511  
1 1 1 -21 14 31 o 33.99944 0.6713360 11.45664       0.4536955 12.61165       0.6899903 10.57691       0.6021811 2.987404       1.342672  
1 1 1 -21 14 32 o 55.55737 0.8194989 30.73318       0.8984226 29.83791       1.170606  32.01633       1.401449  -1.944019      1.638998  
1 1 1 -21 14 33 o 21.84069 1.124526  5.343250       0.4348894 6.491044       0.5453354 3.338103       0.7207832 7.234926       2.249052  
1 1 1 -21 14 34 f 31.46167 0.9313449 10.23783       0.5379585 10.77526       0.6532276 9.105101       0.9483464 2.681288       1.862690  
1 1 1 -21 14 35 o 21.94658 1.046013  4.728346       0.4331160 4.532240       0.5258558 5.141989       0.7637210 -1.363249      2.092027  
1 1 1 -21 14 36 o 21.31603 1.172044  4.627800       0.4868083 4.887940       0.6321564 4.248749       0.7630791 1.515789       2.344087  
1 1 1 -21 14 37 o 23.61488 1.125817  5.678078       0.5223706 6.124727       0.6948985 5.097744       0.7920947 2.186926       2.251634  
1 1 1 -21 14 38 o 29.49321 1.172890  8.753816       0.6904165 8.476464       0.9992221 9.007195       0.9550666 -0.9060707     2.345780  
1 1 1 -21 14 39 o 26.51646 1.240294  7.076215       0.6558191 6.999241       0.9623588 7.142957       0.8961167 -0.2816486     2.480587  
1 1 1 -21 14 40 o 22.82183 1.340788  5.339234       0.6004490 4.343944       0.8743811 6.227448       0.8260082 -4.135155      2.681577  
1 1 1 -21 14 41 o 22.06276 1.412949  4.808753       0.6172662 5.762842       0.9522966 4.117446       0.8106126 3.701214       2.825898  
1 1 1 -21 14 42 o 42.15593 1.138106  17.66832       0.9530208 19.56588       1.455372  16.24380       1.260982  3.907997       2.276212  
1 1 1 -21 14 43 f 21.22840 1.485879  4.560933       0.6259082 4.440480       0.9390167 4.657238       0.8396335 -0.5324211     2.971757  
1 1 1 -21 14 44 o 56.89418 1.213906  32.59700       1.380947  32.10166       1.964455  33.08090       1.941653  -0.8650970     2.427811  
1 1 1 -21 14 45 o 32.77794 1.240720  10.85150       0.8110670 9.995246       1.153381  11.68913       1.140767  -2.586607      2.481440  
1 1 1 -21 14 46 f 32.12029 1.236048  10.26448       0.7868943 8.541731       1.054335  12.43078       1.182299  -6.026070      2.472097  
1 1 1 -21 14 47 o 31.38693 1.652072  9.994572       1.035753  9.370205       1.457821  10.63100       1.471831  -2.004229      3.304144  
1 1 1 -21 14 48 o 20.51316 2.165734  4.262919       0.8885210 4.262919       0.8885210 ?              ?         ?              ?         
1 1 1 -21 14 49 o 20.08761 2.260129  4.094628       0.9080120 4.094628       0.9080120 ?              ?         ?              ?         
1 1 1 -21 14 50 o 33.60854 1.296180  11.30834       0.8583766 10.82403       1.111728  12.02327       1.350734  -1.714909      2.592360  
1 1 1 -21 14 51 o 23.63311 1.347104  5.783158       0.6208127 4.818869       0.9352858 6.542624       0.8300316 -3.677925      2.694208  
1 1 1 -21 14 52 o 27.07699 1.223260  7.389912       0.6479986 7.480374       1.032000  7.331032       0.8325935 0.2180176      2.446519  
1 1 1 -21 14 53 o 26.40765 1.295337  7.232814       0.6660639 6.001899       1.006192  8.192911       0.8886368 -4.185869      2.590675  
1 1 1 -21 14 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 15 1  o 72.05762 1.271662  52.05000       1.832505  52.00414       2.574368  52.09710       2.609088  -0.6213379E-01 2.543324  
1 1 1 -21 15 2  o 52.95624 1.090603  27.96391       1.151792  26.43933       1.558542  29.79853       1.709690  -3.162910      2.181205  
1 1 1 -21 15 3  o 21.36374 1.239835  4.573556       0.5287064 4.559414       0.7247718 4.589640       0.7729599 -0.6760216E-01 2.479670  
1 1 1 -21 15 4  o 65.56343 1.204059  43.05795       1.578486  44.04443       2.261312  42.12051       2.204407  1.463661       2.408117  
1 1 1 -21 15 5  o 110.9722 1.758567  123.7011       3.902994  123.6917       5.506155  123.7105       5.533280  -0.6004333E-02 3.517135  
1 1 1 -21 15 6  o 137.7993 2.126813  191.0846       5.860649  193.3070       8.373795  188.9508       8.205195  1.562378       4.253626  
1 1 1 -21 15 7  o 72.78549 1.276966  52.86856       1.852979  50.35594       2.502376  55.91882       2.757121  -3.804970      2.553932  
1 1 1 -21 15 8  o 65.52075 1.202856  43.01707       1.576212  43.38470       2.234888  42.65324       2.223357  0.5574951      2.405712  
1 1 1 -21 15 9  o 156.9891 2.400118  248.2507       7.529931  243.0938       10.40549  253.9201       10.91029  -3.387131      4.800235  
1 1 1 -21 15 10 o 35.20936 1.053057  12.40589       0.7409068 11.69709       1.032758  13.15755       1.063519  -2.072327      2.106113  
1 1 1 -21 15 11 o 117.3329 1.638253  137.8658       3.764846  139.8387       5.981098  136.5712       4.845143  1.298546       3.276506  
1 1 1 -21 15 12 o 99.11434 1.522308  98.45937       3.014958  100.9488       4.376085  96.21005       4.159728  2.373718       3.044617  
1 1 1 -21 15 13 o 86.96504 1.355768  75.68117       2.354313  78.37607       3.448871  73.32955       3.221726  2.885597       2.711537  
1 1 1 -21 15 14 o 28.25019 0.6289532 7.691586       0.3469495 6.711593       0.4366505 9.369864       0.5714184 -4.700445      1.257906  
1 1 1 -21 15 15 o 37.92538 0.6142972 14.39186       0.4659316 14.52841       0.6586927 14.25512       0.6591613 0.3603134      1.228594  
1 1 1 -21 15 16 o 34.93569 0.6058100 12.19990       0.4230633 11.69504       0.5885383 12.73969       0.6085681 -1.494461      1.211620  
1 1 1 -21 15 17 o 87.31025 0.9963923 76.32352       1.739547  77.42119       2.491062  75.27879       2.430246  1.223618       1.992785  
1 1 1 -21 15 18 o 80.73068 1.284546  65.24786       2.071600  67.15405       3.018850  63.55136       2.847981  2.219330       2.569091  
1 1 1 -21 15 19 o 41.99961 0.6508037 17.64411       0.5464996 17.92811       0.7848070 17.37675       0.7614563 0.6555481      1.301607  
1 1 1 -21 15 20 f 60.74580 0.7701816 36.89543       0.9351376 35.78955       1.295210  38.09961       1.351558  -1.898952      1.540363  
1 1 1 -21 15 21 o 58.90432 0.7607397 34.69268       0.8954968 35.63415       1.298355  33.83845       1.236738  1.521507       1.521479  
1 1 1 -21 15 22 o 111.7935 1.231751  125.1991       2.752158  122.5086       3.808277  128.1404       3.981797  -2.505676      2.463502  
1 1 1 -21 15 23 o 47.68782 0.6892885 22.73367       0.6570127 21.87187       0.9108102 23.66859       0.9486576 -1.882126      1.378577  
1 1 1 -21 15 24 o 91.03773 1.035568  82.71731       1.879808  87.21674       2.793073  78.99164       2.541587  4.499336       2.071137  
1 1 1 -21 15 25 o 62.81746 0.7952130 39.24442       0.9943960 42.18980       1.496921  36.91809       1.330347  4.186745       1.590426  
1 1 1 -21 15 26 o 133.3142 1.445264  178.4624       3.853458  178.0424       5.437022  178.8862       5.462290  -0.3139038     2.890529  
1 1 1 -21 15 27 o 93.86040 1.064528  88.12820       1.995128  91.30061       2.922998  85.36098       2.729959  3.148933       2.129057  
1 1 1 -21 15 28 o 41.01810 0.6700554 16.82635       0.5486015 17.07865       0.8040840 16.60663       0.7503769 0.5725212      1.340111  
1 1 1 -21 15 29 o 74.31589 0.8932955 55.31907       1.327400  55.89765       1.901968  54.76963       1.853428  0.7553329      1.786591  
1 1 1 -21 15 30 o 43.08386 0.6793045 18.56937       0.5849937 17.69289       0.8161731 19.49536       0.8389074 -2.090485      1.358609  
1 1 1 -21 15 31 o 24.94885 0.7123671 6.249914       0.3523853 6.095414       0.5310023 6.371501       0.4710609 -0.5572414     1.424734  
1 1 1 -21 15 32 o 43.35395 0.6867416 18.82224       0.5953188 18.74500       0.8502400 18.89652       0.8338161 -0.1758728     1.373483  
1 1 1 -21 15 33 o 15.40494 0.9919447 2.456666       0.2957363 1.956419       0.4474680 2.844646       0.3940708 -2.888311      1.983889  
1 1 1 -21 15 34 o 23.28200 0.7502543 5.438522       0.3458688 5.365828       0.5258055 5.493965       0.4591976 -0.2804985     1.500509  
1 1 1 -21 15 35 o 26.32559 0.7214616 6.977819       0.3772652 6.576199       0.5574236 7.317277       0.5124733 -1.411154      1.442923  
1 1 1 -21 15 36 f 12.70344 1.162750  1.552977       0.2883963 2.126032       0.4609570 1.184384       0.3696884 3.693749       2.325499  
1 1 1 -21 15 37 o 8.542402 1.627145  0.7278990      0.2825420 0.9680115      0.4485888 0.5700087      0.3637632 2.117909       3.254289  
1 1 1 -21 15 38 o 47.95609 0.7390182 23.05134       0.7086099 22.59305       1.006777  23.50126       0.9975384 -0.9478340     1.478036  
1 1 1 -21 15 39 o 16.85317 1.003235  2.727928       0.3299572 3.454874       0.5443664 2.305745       0.4148501 3.391516       2.006470  
1 1 1 -21 15 40 o 40.09820 0.7254196 16.04880       0.5795525 16.80973       0.8653218 15.42981       0.7804545 1.712013       1.450839  
1 1 1 -21 15 41 o 12.56740 1.493155  1.934858       0.3313186 0.6688290      0.5102393 2.857834       0.4356596 -8.617390      2.986311  
1 1 1 -21 15 42 o 33.02016 0.7527425 10.93159       0.4950716 10.90882       0.7337295 10.95062       0.6707726 -0.7045746E-01 1.505485  
1 1 1 -21 15 43 o 31.29376 0.7627988 9.848657       0.4745024 9.536042       0.7049264 10.10765       0.6416266 -0.9213028     1.525598  
1 1 1 -21 15 44 f 30.42414 0.8076672 9.314846       0.4875072 9.046703       0.7316546 9.528944       0.6537782 -0.8035526     1.615334  
1 1 1 -21 15 45 o 16.95452 1.277515  3.195359       0.3893869 2.037871       0.6317205 3.904601       0.4944971 -5.533611      2.555029  
1 1 1 -21 15 46 o 50.33044 0.9917457 25.23641       0.9630020 26.30831       1.602109  24.63005       1.204979  1.594879       1.983491  
1 1 1 -21 15 47 o 68.32034 1.233754  47.09035       1.685208  46.17403       2.399072  47.98287       2.367726  -1.331444      2.467508  
1 1 1 -21 15 48 o 39.35243 1.059617  15.65981       0.8291883 14.74509       1.217281  16.45167       1.132593  -2.186672      2.119234  
1 1 1 -21 15 49 o 21.39824 1.279131  4.493997       0.5358132 5.269431       0.8731040 4.025528       0.6786321 2.850838       2.558263  
1 1 1 -21 15 50 o 12.74514 2.050123  1.728674       0.4941159 1.712334       0.8312541 1.737603       0.6144551 -0.2146358     4.100246  
1 1 1 -21 15 51 o 23.18536 1.302820  5.490524       0.5909413 5.157484       0.9218243 5.722871       0.7699623 -1.265795      2.605640  
1 1 1 -21 15 52 o 26.16677 1.255944  6.967358       0.6409475 6.718765       1.016585  7.131380       0.8257539 -0.8481750     2.511889  
1 1 1 -21 15 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 16 1  o 42.53152 2.407996  0.000000       0.000000  ?              ?         18.17662       2.048315  ?              ?         
1 1 1 -21 16 2  o 97.79423 1.596964  96.02811       3.123171  95.66647       4.382706  96.40125       4.451766  -0.3693542     3.193928  
1 1 1 -21 16 3  o 45.69528 1.061709  20.89445       0.9694440 20.38597       1.337505  21.45725       1.407146  -1.168022      2.123417  
1 1 1 -21 16 4  f 55.27805 1.119775  30.61687       1.237759  30.60694       1.734039  30.62719       1.767347  -0.1623917E-01 2.239550  
1 1 1 -21 16 5  o 30.14327 1.071932  9.101859       0.6461558 9.062351       0.9060889 9.142741       0.9217159 -0.1324215     2.143863  
1 1 1 -21 16 6  o 79.89824 1.368898  64.02271       2.187373  63.94515       3.079592  64.10168       3.107421  -0.9586334E-01 2.737796  
1 1 1 -21 16 7  o 49.50764 1.099550  24.54420       1.088321  24.97083       1.565010  24.14467       1.514470  0.8313293      2.199100  
1 1 1 -21 16 8  o 111.1102 3.644866  0.000000       0.000000  ?              ?         124.7239       8.099638  ?              ?         
1 1 1 -21 16 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 16 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 16 11 o 44.75129 0.7962808 20.03997       0.7125754 19.64924       0.9971796 20.44770       1.018630  -0.8911781     1.592562  
1 1 1 -21 16 12 o 72.55411 1.155906  52.69226       1.675802  54.05970       2.432827  51.45760       2.311694  1.785500       2.311813  
1 1 1 -21 16 13 o 54.47790 0.9290129 29.71881       1.012181  29.68916       1.436818  29.74801       1.426122  -0.5456161E-01 1.858026  
1 1 1 -21 16 14 o 85.99002 0.9850129 73.99124       1.692984  75.84644       2.447009  72.28786       2.344747  2.063545       1.970026  
1 1 1 -21 16 15 o 59.18805 0.7527052 34.64821       0.8841794 31.88120       1.165569  38.39865       1.356982  -5.497532      1.505410  
1 1 1 -21 16 16 o 114.2320 1.252325  130.8018       2.860699  129.5577       4.005048  132.0977       4.087491  -1.105789      2.504650  
1 1 1 -21 16 17 f 30.45015 0.6002384 9.084047       0.3616737 10.80550       0.5619016 7.866370       0.4725838 4.822941       1.200477  
1 1 1 -21 16 18 o 40.24397 0.6316907 16.19204       0.5080841 16.59332       0.7352623 15.82530       0.7029080 0.9529457      1.263381  
1 1 1 -21 16 19 o 91.87155 1.041846  84.22310       1.908407  88.84077       2.837008  80.40663       2.579169  4.572845       2.083691  
1 1 1 -21 16 20 o 62.43070 0.7852781 39.01402       0.9803827 39.49635       1.400299  38.55029       1.373044  0.7562370      1.570556  
1 1 1 -21 16 21 o 36.47732 0.6354113 12.98947       0.4575165 15.51988       0.7207709 11.28190       0.5920939 5.803333       1.270823  
1 1 1 -21 16 22 o 72.39450 0.8723117 52.48322       1.262926  52.02183       1.773436  52.95795       1.798929  -0.6449738     1.744623  
1 1 1 -21 16 23 o 115.7157 1.271051  134.2783       2.940735  132.3186       4.098830  136.3571       4.221537  -1.734062      2.542101  
1 1 1 -21 16 24 o 66.89718 0.8269151 44.60955       1.103302  42.15074       1.493819  47.56063       1.636541  -4.034912      1.653830  
1 1 1 -21 16 25 f 30.86572 0.6503223 9.552191       0.4007393 9.020461       0.5718819 10.06519       0.5617166 -1.692875      1.300645  
1 1 1 -21 16 26 o 52.33442 0.7251373 27.34130       0.7571666 28.53606       1.118364  26.33019       1.028822  2.102203       1.450275  
1 1 1 -21 16 27 o 35.10909 0.6531520 12.33683       0.4580306 11.49932       0.6414245 13.20822       0.6542729 -2.433002      1.306304  
1 1 1 -21 16 28 o 66.50147 0.8288682 43.42873       1.087194  49.50547       1.719825  39.38399       1.403116  7.586914       1.657736  
1 1 1 -21 16 29 o 53.80442 0.7414736 28.98039       0.7974432 29.29517       1.149749  28.68859       1.106976  0.5607300      1.482947  
1 1 1 -21 16 30 o 61.32256 0.7925223 37.61891       0.9713048 36.16501       1.344021  39.20838       1.405291  -2.476589      1.585045  
1 1 1 -21 16 31 o 46.29789 0.7033569 21.39975       0.6492442 22.26797       0.9640492 20.67916       0.8782735 1.709572       1.406714  
1 1 1 -21 16 32 o 70.99203 0.8750508 50.49799       1.241981  51.09183       1.784685  49.94032       1.729468  0.8058853      1.750102  
1 1 1 -21 16 33 o 58.56246 0.7825388 34.35355       0.9161088 34.60909       1.318246  34.11486       1.274032  0.4181252      1.565078  
1 1 1 -21 16 34 o 66.09163 0.8408124 43.78000       1.111344  43.09519       1.565076  44.47649       1.578363  -1.043686      1.681625  
1 1 1 -21 16 35 o 22.39730 0.7898173 4.942192       0.3485679 5.510648       0.5524486 4.566213       0.4492880 2.098328       1.579635  
1 1 1 -21 16 36 o 71.78790 0.8904361 51.66785       1.277946  52.26838       1.837430  51.10518       1.778584  0.8033600      1.780872  
1 1 1 -21 16 37 o 15.83276 1.023631  2.402704       0.3166083 3.136692       0.5180559 1.965122       0.4000019 3.683493       2.047261  
1 1 1 -21 16 38 o 41.37544 0.7224390 17.10400       0.5955797 17.70541       0.8875392 16.61134       0.8033008 1.313766       1.444878  
1 1 1 -21 16 39 o 30.19356 1.115428  9.672593       0.6309434 7.437050       1.018625  11.06421       0.8036777 -6.039581      2.230855  
1 1 1 -21 16 40 o 31.68356 0.7525930 10.04499       0.4731189 10.19582       0.7180285 9.929250       0.6289649 0.4108562      1.505186  
1 1 1 -21 16 41 o 47.83677 0.7576067 22.90445       0.7239051 21.34184       1.003643  24.59892       1.045130  -3.399460      1.515213  
1 1 1 -21 16 42 o 44.11402 0.7497461 19.44741       0.6586902 20.19985       0.9850595 18.83887       0.8858722 1.529861       1.499492  
1 1 1 -21 16 43 o 36.32169 0.8337841 13.45734       0.5910787 12.10151       0.9158664 14.42517       0.7738003 -3.219318      1.667568  
1 1 1 -21 16 44 o 18.84709 1.115222  3.516510       0.4061748 3.794986       0.6779673 3.360595       0.5072942 1.118673       2.230444  
1 1 1 -21 16 45 o 31.31130 1.018367  9.676932       0.6253130 10.75522       1.007100  9.000415       0.7977089 2.762144       2.036734  
1 1 1 -21 16 46 o 12.06555 1.964788  1.486970       0.4481291 1.763954       0.7628321 1.341011       0.5537536 1.606109       3.929575  
1 1 1 -21 16 47 o 92.49767 1.522627  86.60125       2.811959  88.83529       4.118905  84.65112       3.848294  2.175697       3.045254  
1 1 1 -21 16 48 o 15.28296 1.783508  2.548955       0.4925614 2.041462       0.8230687 2.832118       0.6148074 -2.914454      3.567016  
1 1 1 -21 16 49 o 53.26157 1.111634  28.29496       1.172356  30.61919       1.815496  26.63256       1.535404  3.672619       2.223268  
1 1 1 -21 16 50 o 17.73449 1.551716  3.100921       0.5288156 3.537559       0.9034980 2.873396       0.6522000 1.779419       3.103433  
1 1 1 -21 16 51 o 41.05498 1.093696  16.70878       0.8834171 18.56779       1.407191  15.49952       1.134936  3.661980       2.187392  
1 1 1 -21 16 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 17 1  o 68.00554 1.248490  46.37381       1.697336  45.85660       2.360260  46.92776       2.442650  -0.7803421     2.496980  
1 1 1 -21 17 2  o 39.82855 1.065112  15.87884       0.8477781 15.41884       1.171030  16.38547       1.228944  -1.209194      2.130225  
1 1 1 -21 17 3  o 87.71264 1.472142  77.24355       2.582030  76.63247       3.611259  77.88269       3.693204  -0.7044678     2.944285  
1 1 1 -21 17 4  o 17.31640 1.530932  3.009688       0.5300065 2.930469       0.7374639 3.094317       0.7622345 -0.4705696     3.061864  
1 1 1 -21 17 5  o 76.76611 1.948495  0.000000       0.000000  ?              ?         59.13734       2.991567  ?              ?         
1 1 1 -21 17 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 17 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 17 8  o 43.29555 1.523637  18.78401       1.319334  18.78401       1.319334  ?              ?         ?              ?         
1 1 1 -21 17 9  o 28.80364 1.157846  8.270774       0.6637795 7.882555       0.8881926 8.761900       0.9989987 -1.518335      2.315691  
1 1 1 -21 17 10 o 56.03690 1.140819  31.39471       1.275870  30.31739       1.738051  32.65367       1.878872  -2.074398      2.281637  
1 1 1 -21 17 11 o 119.6395 1.305930  143.5376       3.124032  141.9026       4.360361  145.2622       4.478088  -1.394226      2.611859  
1 1 1 -21 17 12 o 99.36637 1.108367  98.93227       2.202260  100.2466       3.152429  97.67945       3.077842  1.286377       2.216734  
1 1 1 -21 17 13 o 66.03477 0.8099238 43.57076       1.068112  42.10482       1.463460  45.24177       1.562474  -2.369949      1.619848  
1 1 1 -21 17 14 o 19.83552 0.6024554 3.874021       0.2370158 4.602339       0.3613216 3.323926       0.3140165 3.220621       1.204911  
1 1 1 -21 17 15 f 51.25927 0.6949736 26.22410       0.7113669 24.93576       0.9735281 27.70008       1.042009  -2.693130      1.389947  
1 1 1 -21 17 16 o 85.38652 1.064772  72.93058       1.792528  73.90392       2.787710  72.24445       2.340551  0.9386215      2.129545  
1 1 1 -21 17 17 o 47.59411 0.6715025 22.66985       0.6391227 22.82996       0.9117605 22.51517       0.8961536 0.3299713      1.343005  
1 1 1 -21 17 18 o 48.10683 0.6804093 23.04113       0.6525343 24.68507       0.9717726 21.69121       0.8805954 3.107327       1.360819  
1 1 1 -21 17 19 o 89.09956 1.017527  79.54902       1.813199  79.75698       2.572381  79.34364       2.556196  0.2308044      2.035054  
1 1 1 -21 17 20 o 88.58472 1.014071  78.22601       1.789614  83.10907       2.677823  74.28473       2.405773  4.961113       2.028142  
1 1 1 -21 17 21 o 64.57564 0.8064318 41.74010       1.041207  42.41396       1.494738  41.10490       1.451207  1.010986       1.612864  
1 1 1 -21 17 22 f 24.49137 0.6552691 5.647904       0.3111093 8.002561       0.5146503 4.291941       0.3905462 7.569040       1.310538  
1 1 1 -21 17 23 o 8.436308 1.337219  0.7004657      0.2161784 0.9652964      0.3556905 0.5453397      0.2722265 2.404488       2.674438  
1 1 1 -21 17 24 o 21.85766 0.7017695 4.821048       0.3036380 4.468403       0.4530876 5.108533       0.4090926 -1.466885      1.403539  
1 1 1 -21 17 25 o 28.51067 0.6499793 8.141811       0.3694761 8.074019       0.5431869 8.200184       0.5040421 -0.2234573     1.299959  
1 1 1 -21 17 26 o 9.735699 1.323136  1.081032       0.2406928 0.5778315      0.3787688 1.421859       0.3117246 -4.350848      2.646272  
1 1 1 -21 17 27 f 127.5341 1.392837  163.4942       3.552432  164.5847       5.060091  162.4344       4.988471  0.8334503      2.785674  
1 1 1 -21 17 28 o 9.681849 1.353145  0.9380428      0.2485261 1.190688       0.4013762 0.7809555      0.3164948 2.070522       2.706290  
1 1 1 -21 17 29 o 99.91241 1.129496  100.2015       2.257012  100.1694       3.192301  100.2337       3.191494  -0.3225708E-01 2.258991  
1 1 1 -21 17 30 o 58.09452 0.7755563 33.72963       0.8999992 32.08969       1.236534  35.57707       1.312436  -2.995201      1.551113  
1 1 1 -21 17 31 o 73.50311 0.8946581 54.12020       1.314635  52.68926       1.826770  55.65738       1.893368  -2.012413      1.789316  
1 1 1 -21 17 32 o 38.33759 0.6906874 14.69535       0.5279267 13.13867       0.7309623 16.39277       0.7632887 -4.241413      1.381375  
1 1 1 -21 17 33 o 14.57957 1.054117  2.233299       0.2913320 1.757160       0.4625515 2.546378       0.3750762 -2.717458      2.108235  
1 1 1 -21 17 34 o 49.55932 0.7361078 24.60350       0.7292767 23.56789       1.022919  25.67398       1.039998  -2.123196      1.472216  
1 1 1 -21 17 35 o 36.44312 0.7039891 13.32993       0.5115057 12.96803       0.7477575 13.64821       0.7012378 -0.9375877     1.407978  
1 1 1 -21 17 36 o 18.95409 0.9193193 3.738314       0.3356150 2.899568       0.5087151 4.384718       0.4465924 -3.925304      1.838639  
1 1 1 -21 17 37 f 56.21466 0.7851120 31.68295       0.8823863 31.51512       1.262879  31.84304       1.233408  -0.2949448     1.570224  
1 1 1 -21 17 38 f 28.70598 0.7580951 8.360208       0.4298487 7.120378       0.6234775 9.483415       0.5934306 -4.119219      1.516190  
1 1 1 -21 17 39 o 17.90436 1.063980  3.200937       0.3777873 3.834996       0.5569026 2.660403       0.5141934 3.273405       2.127959  
1 1 1 -21 17 40 o 60.53817 0.8265470 36.67198       0.9994870 34.58949       1.374881  39.00598       1.455541  -3.636784      1.653094  
1 1 1 -21 17 41 o 33.83403 0.7591515 11.34493       0.5088387 12.43552       0.7874132 10.56297       0.6667567 2.751228       1.518303  
1 1 1 -21 17 42 o 16.28461 1.253430  2.891480       0.3700654 2.075127       0.6201508 3.342937       0.4611759 -3.925580      2.506860  
1 1 1 -21 17 43 o 62.50654 1.054756  39.35605       1.284916  39.00481       2.057987  39.58044       1.644925  -0.5384407     2.109513  
1 1 1 -21 17 44 o 17.82350 1.351085  3.215229       0.4615269 3.183645       0.7696959 3.232960       0.5767046 -0.1878986     2.702170  
1 1 1 -21 17 45 o 29.28957 1.049430  8.473550       0.6004906 9.354208       0.9774944 7.939758       0.7610202 2.369247       2.098861  
1 1 1 -21 17 46 o 58.32236 1.125228  34.28153       1.310015  34.21567       1.911436  34.33986       1.798958  -0.1337547     2.250456  
1 1 1 -21 17 47 o 27.53304 1.143207  7.741745       0.6146521 7.138289       0.9585309 8.163170       0.8010196 -1.900541      2.286414  
1 1 1 -21 17 48 o 52.30960 1.092757  27.36928       1.133919  29.10916       1.737566  26.07866       1.496506  2.836933       2.185515  
1 1 1 -21 17 49 o 21.72141 1.306516  4.604520       0.5501428 5.456444       0.9243678 4.137247       0.6845890 2.960466       2.613032  
1 1 1 -21 17 50 f 37.93817 1.063718  14.17106       0.7864290 15.97344       1.293587  13.11435       0.9904905 3.687763       2.127436  
1 1 1 -21 17 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 18 1  o 15.48704 1.759781  2.481974       0.5244155 2.872591       0.7292091 2.063549       0.7547197 2.838811       3.519561  
1 1 1 -21 18 2  o 65.02924 1.755032  0.000000       0.000000  ?              ?         42.42402       2.282568  ?              ?         
1 1 1 -21 18 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 18 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 18 5  f 125.5582 2.800982  158.8802       7.033723  158.8802       7.033723  ?              ?         ?              ?         
1 1 1 -21 18 6  o 42.15270 1.091247  17.81321       0.9196864 18.36329       1.302401  17.26610       1.298872  1.301178       2.182493  
1 1 1 -21 18 7  o 108.4338 1.741716  118.1171       3.772538  115.0996       5.183428  121.5158       5.501079  -2.919823      3.483432  
1 1 1 -21 18 8  o 24.77798 1.203854  6.153273       0.5963562 5.928779       0.8326217 6.389749       0.8545560 -0.9283524     2.407707  
1 1 1 -21 18 9  o 20.48295 1.365818  4.212205       0.5582153 3.843719       0.7820396 4.594967       0.7970453 -1.832403      2.731635  
1 1 1 -21 18 10 o 37.49915 1.074710  13.89134       0.8001184 12.32195       1.058311  15.98519       1.222426  -4.872074      2.149420  
1 1 1 -21 18 11 o 39.07697 0.5991251 15.28081       0.4682374 15.34603       0.6633299 15.21603       0.6610513 0.1662369      1.198250  
1 1 1 -21 18 12 o 39.89372 0.6158236 15.91516       0.4911659 16.42252       0.7059829 15.43923       0.6837761 1.231419       1.231647  
1 1 1 -21 18 13 o 59.45288 0.7569062 35.38070       0.8999044 34.98846       1.261180  35.78754       1.284453  -0.6707878     1.513812  
1 1 1 -21 18 14 o 46.80353 0.6718770 21.37761       0.6199502 18.77900       0.7987018 25.31612       0.9832832 -6.974716      1.343754  
1 1 1 -21 18 15 o 42.26091 0.6419076 17.87502       0.5425239 17.63520       0.7660411 18.11634       0.7684537 -0.5691376     1.283815  
1 1 1 -21 18 16 o 50.99387 0.9790962 26.43632       0.9762840 24.02934       1.510222  28.16432       1.279608  -4.071014      1.958192  
1 1 1 -21 18 17 o 18.11354 0.6578054 3.292651       0.2373279 3.176927       0.3482181 3.393035       0.3243195 -0.5977459     1.315611  
1 1 1 -21 18 18 o 45.67245 0.6694757 20.87939       0.6114137 20.94824       0.8739529 20.81339       0.8556759 0.1466446      1.338951  
1 1 1 -21 18 19 o 64.72495 0.8113374 41.94914       1.050175  41.36678       1.472997  42.55116       1.497655  -0.9133072     1.622675  
1 1 1 -21 18 20 o 49.20227 0.6990039 24.22953       0.6877519 23.75167       0.9633244 24.72631       0.9822070 -0.9893303     1.398008  
1 1 1 -21 18 21 o 53.10299 0.7260361 28.02580       0.7672575 30.29476       1.157609  26.24812       1.024648  3.801937       1.452072  
1 1 1 -21 18 22 o 43.60986 0.6709217 19.03639       0.5848788 19.13362       0.8416334 18.94559       0.8133771 0.2139168      1.341843  
1 1 1 -21 18 23 o 34.24736 0.6458118 11.44928       0.4362538 13.60692       0.6901752 10.01360       0.5629852 5.238586       1.291624  
1 1 1 -21 18 24 o 62.27677 0.7983246 38.83071       0.9938516 39.47255       1.432448  38.23496       1.380053  0.9895897      1.596649  
1 1 1 -21 18 25 o 67.62791 0.8418726 45.82891       1.138630  45.74264       1.617170  45.91373       1.603449  -0.1276627     1.683745  
1 1 1 -21 18 26 o 78.55014 0.9353813 61.62872       1.465706  58.80072       1.987883  64.99760       2.169670  -3.926834      1.870763  
1 1 1 -21 18 27 o 73.34595 0.8919091 53.92472       1.308336  53.72649       1.853365  54.12164       1.847185  -0.2699509     1.783818  
1 1 1 -21 18 28 o 85.10027 0.9954801 72.51908       1.692378  70.21786       2.326625  75.10477       2.466242  -2.856194      1.990960  
1 1 1 -21 18 29 f 68.60358 0.8557317 47.15978       1.173706  47.71123       1.686320  46.64161       1.634630  0.7745590      1.711463  
1 1 1 -21 18 30 o 76.67467 0.9247493 58.72719       1.414559  55.83089       1.919391  62.17054       2.092819  -4.115181      1.849499  
1 1 1 -21 18 31 o 64.88611 0.8337029 42.18429       1.081657  41.20997       1.510324  43.21026       1.549830  -1.537323      1.667406  
1 1 1 -21 18 32 o 12.36856 1.246207  1.668926       0.2775533 1.197618       0.4434122 1.972556       0.3558994 -3.311208      2.492414  
1 1 1 -21 18 33 o 29.70592 0.7207883 8.911463       0.4243479 7.646723       0.6066442 10.12321       0.5937992 -4.169569      1.441577  
1 1 1 -21 18 34 o 30.17910 0.7072372 9.040107       0.4240625 9.852002       0.6463749 8.426579       0.5618907 2.353460       1.414474  
1 1 1 -21 18 35 o 8.096489 1.632514  0.6764145      0.2703705 0.6655523      0.4504330 0.6825323      0.3380409 0.4417515E-01  3.265028  
1 1 1 -21 18 36 o 37.17751 0.7144206 13.86990       0.5299140 13.54538       0.7716557 14.15953       0.7289864 -0.8304024     1.428841  
1 1 1 -21 18 37 o 32.01501 0.7431610 10.36015       0.4714157 8.913231       0.6760775 11.72935       0.6576684 -4.400127      1.486322  
1 1 1 -21 18 38 o 27.30096 0.7885949 7.548120       0.4251237 6.920967       0.6381642 8.048490       0.5700215 -2.073454      1.577190  
1 1 1 -21 18 39 o 41.38674 0.7484204 17.17085       0.6175592 15.40050       0.8610233 19.04642       0.8862439 -4.401466      1.496841  
1 1 1 -21 18 40 o 27.30989 0.8063941 7.546984       0.4323884 7.118452       0.6684379 7.855309       0.5669884 -1.363363      1.612788  
1 1 1 -21 18 41 o 12.40263 1.503448  1.469646       0.3520527 1.998008       0.6111240 1.207211       0.4306996 3.298700       3.006896  
1 1 1 -21 18 42 o 30.55048 0.9988666 9.459928       0.6012723 8.881626       0.9171188 9.895879       0.7962821 -1.682180      1.997733  
1 1 1 -21 18 43 o 52.33274 1.045190  27.54454       1.091188  27.68814       1.602947  27.42052       1.489622  0.2323189      2.090379  
1 1 1 -21 18 44 o 60.56497 1.127237  36.94669       1.363451  36.97194       1.982309  36.92402       1.878313  0.1584625E-01  2.254474  
1 1 1 -21 18 45 o 10.51410 2.016581  1.117399       0.4156612 1.361966       0.7241738 0.9972389      0.5076038 1.604731       4.033161  
1 1 1 -21 18 46 f 18.58128 1.416831  3.581964       0.5057655 3.149346       0.8095596 3.858908       0.6477267 -1.958813      2.833662  
1 1 1 -21 18 47 o 19.42967 1.325180  3.818988       0.4981833 3.815675       0.8143221 3.820970       0.6297903 -0.6952095E-01 2.650360  
1 1 1 -21 18 48 o 13.92586 1.837665  2.087253       0.4701889 1.822496       0.7999325 2.227009       0.5811858 -1.795212      3.675329  
1 1 1 -21 18 49 o 34.84855 1.058719  12.20603       0.7267552 12.42639       1.134739  12.05278       0.9463066 0.4871941      2.117439  
1 1 1 -21 18 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 19 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 19 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 19 3  f 44.90775 1.112458  20.23111       0.9979562 20.31771       1.379514  20.13603       1.445440  0.2084846      2.224917  
1 1 1 -21 19 4  o 45.81374 1.107619  21.02344       1.013883  20.48564       1.396942  21.62209       1.473841  -1.233166      2.215237  
1 1 1 -21 19 5  o 26.49452 1.229929  7.054337       0.6508053 7.326864       0.9090128 6.767739       0.9321796 1.057535       2.459857  
1 1 1 -21 19 6  o 58.98124 1.182248  34.73347       1.389908  32.96709       1.874370  36.89127       2.071657  -3.307365      2.364495  
1 1 1 -21 19 7  f 44.83197 1.097984  20.11500       0.9827275 19.52289       1.342724  20.79807       1.442172  -1.413200      2.195968  
1 1 1 -21 19 8  o 36.57357 1.098617  13.41239       0.8035109 13.33371       1.126313  13.49393       1.146631  -0.2172050     2.197235  
1 1 1 -21 19 9  o 14.27721 1.897394  2.120707       0.5212982 2.111058       0.7178867 2.131471       0.7582195 -0.5257320E-01 3.794789  
1 1 1 -21 19 10 o 49.05717 1.115177  24.13219       1.093925  23.97964       1.529616  24.29189       1.565081  -0.3149986     2.230355  
1 1 1 -21 19 11 o 48.39496 1.116749  23.38479       1.078406  25.56299       1.583825  21.50217       1.472452  4.185257       2.233498  
1 1 1 -21 19 12 f 72.23661 1.106727  52.48568       1.479296  51.92083       2.647619  52.74205       1.783678  -0.6459656     2.213455  
1 1 1 -21 19 13 o 21.14722 0.5922787 4.493347       0.2489121 3.903409       0.3514403 5.087160       0.3525923 -2.798775      1.184557  
1 1 1 -21 19 14 f 75.36304 0.8959512 56.86879       1.349873  55.72496       1.876333  58.09591       1.943453  -1.567963      1.791902  
1 1 1 -21 19 15 o 52.68993 0.7108328 27.79333       0.7490374 27.44664       1.053651  28.14754       1.065038  -0.6644287     1.421666  
1 1 1 -21 19 16 o 80.79305 1.402494  65.53098       2.264634  64.15347       3.132677  67.03887       3.277588  -1.768158      2.804989  
1 1 1 -21 19 17 o 33.15524 0.6134082 10.97164       0.4059951 11.50364       0.5968435 10.51346       0.5538874 1.490925       1.226816  
1 1 1 -21 19 18 o 50.56979 0.7043107 25.59439       0.7121805 25.05008       0.9947800 26.16670       1.020046  -1.102428      1.408621  
1 1 1 -21 19 19 o 33.21053 0.6230478 10.97701       0.4122970 11.76729       0.6163993 10.33719       0.5546319 2.149506       1.246096  
1 1 1 -21 19 20 o 69.90645 0.8548363 48.94273       1.194829  47.98952       1.665534  49.95345       1.715042  -1.400597      1.709673  
1 1 1 -21 19 21 o 12.26829 0.9532254 1.438694       0.2282387 1.876505       0.3751958 1.181510       0.2875656 2.824098       1.906451  
1 1 1 -21 19 22 o 57.04266 0.7583715 32.31983       0.8602821 35.11466       1.304009  30.16603       1.144737  4.325184       1.516743  
1 1 1 -21 19 23 o 83.36890 0.9771919 69.66925       1.628876  68.46972       2.270442  70.94144       2.338210  -1.475471      1.954384  
1 1 1 -21 19 24 f 58.36683 0.7754081 33.86034       0.9003539 36.67742       1.361488  31.67088       1.200279  4.275631       1.550816  
1 1 1 -21 19 25 o 107.2733 1.199531  115.5425       2.572904  113.8382       3.589983  117.3426       3.689322  -1.620453      2.399062  
1 1 1 -21 19 26 o 34.85507 0.6778690 12.18178       0.4713019 11.11272       0.6638923 13.26794       0.6691823 -3.091290      1.355738  
1 1 1 -21 19 27 o 12.17750 1.173672  1.600280       0.2600556 1.180470       0.4110017 1.880568       0.3358298 -3.037794      2.347343  
1 1 1 -21 19 28 o 11.66319 1.165520  1.369191       0.2651531 1.354908       0.4235775 1.378394       0.3400115 -0.1124020     2.331041  
1 1 1 -21 19 29 o 31.93085 0.6911134 10.21857       0.4405953 10.11680       0.6404831 10.30999       0.6070518 -0.3054314     1.382227  
1 1 1 -21 19 30 o 12.59664 1.154128  1.654661       0.2775247 1.357552       0.4404709 1.850254       0.3573847 -1.967901      2.308256  
1 1 1 -21 19 31 o 48.52340 0.7333473 23.55372       0.7104237 24.22861       1.041736  22.96697       0.9713360 1.293064       1.466695  
1 1 1 -21 19 32 o 34.99635 0.6998432 12.28637       0.4892029 11.80228       0.7001902 12.74804       0.6837767 -1.352802      1.399686  
1 1 1 -21 19 33 o 40.01911 0.7099897 15.82686       0.5634125 17.74498       0.8689565 14.43562       0.7400485 4.121784       1.419979  
1 1 1 -21 19 34 o 38.46835 0.7242901 14.74279       0.5542726 12.74631       0.7553911 17.07141       0.8158106 -5.615269      1.448580  
1 1 1 -21 19 35 o 19.52266 0.8887840 3.779720       0.3399763 4.038326       0.5455131 3.615486       0.4347277 1.068413       1.777568  
1 1 1 -21 19 36 o 19.17063 0.9049575 3.662081       0.3437177 3.874779       0.5292457 3.506928       0.4520189 0.9484177      1.809915  
1 1 1 -21 19 37 f 27.56304 0.7808862 7.638564       0.4269050 7.464344       0.6426202 7.776186       0.5711493 -0.5751534     1.561772  
1 1 1 -21 19 38 o 25.93530 0.8914406 6.744769       0.4600779 5.862239       0.6371315 7.706377       0.6650637 -3.550905      1.782881  
1 1 1 -21 19 39 f 24.03881 0.9277675 5.924143       0.4320493 5.259986       0.6803415 6.373009       0.5593066 -2.334549      1.855535  
1 1 1 -21 19 40 o 32.93636 0.9652014 10.97823       0.6309291 10.04095       0.9250011 11.79367       0.8627815 -2.671627      1.930403  
1 1 1 -21 19 41 o 13.68692 1.587090  1.945579       0.4053907 1.869050       0.6698613 1.989806       0.5092310 -0.7123747     3.174179  
1 1 1 -21 19 42 f 53.77849 1.060539  29.06003       1.136640  29.62238       1.686739  28.59225       1.538387  0.9263611      2.121079  
1 1 1 -21 19 43 o 14.37775 1.641002  2.229380       0.4274710 1.852657       0.7173369 2.436826       0.5323104 -2.327959      3.282004  
1 1 1 -21 19 44 f 37.17360 1.026903  13.90050       0.7543831 13.97499       1.161008  13.84607       0.9924336 0.1350098      2.053806  
1 1 1 -21 19 45 o 19.23645 1.331940  3.637475       0.4984429 4.185714       0.8262582 3.323819       0.6249678 2.180172       2.663880  
1 1 1 -21 19 46 f 8.539418 2.140919  0.5766022      0.4474105 0.9809093      0.7587875 0.3611163      0.5539541 2.766108       4.281839  
1 1 1 -21 19 47 o 21.16238 1.337870  4.754950       0.5364287 3.667886       0.8443702 5.490615       0.6946173 -4.355150      2.675740  
1 1 1 -21 19 48 o 47.20579 1.081244  22.47879       1.014511  22.32457       1.518581  22.60310       1.363401  -0.3358917     2.162488  
1 1 1 -21 19 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 20 1  o 23.08910 1.369261  5.288928       0.6278652 4.576683       0.8369787 6.205547       0.9494981 -3.511465      2.738523  
1 1 1 -21 20 2  o 47.09233 1.136409  22.08286       1.065188  20.52498       1.423647  24.06415       1.605503  -3.736652      2.272817  
1 1 1 -21 20 3  o 40.02756 1.119636  16.01178       0.8943855 15.02207       1.217599  17.17156       1.318071  -2.673775      2.239271  
1 1 1 -21 20 4  o 35.53147 1.131873  12.65911       0.8038844 13.27023       1.154126  12.08324       1.120355  1.666580       2.263747  
1 1 1 -21 20 5  o 49.56260 1.142121  24.64896       1.131976  24.46366       1.585552  24.84159       1.616612  -0.3778381     2.284242  
1 1 1 -21 20 6  o 25.65322 1.272443  6.594170       0.6495287 5.718135       0.8957636 7.565480       0.9432172 -3.594856      2.544886  
1 1 1 -21 20 7  o 12.87743 2.005970  1.697627       0.5236914 2.491700       0.7671211 1.004561       0.7166730 5.690041       4.011940  
1 1 1 -21 20 8  o 21.13585 1.392434  4.486095       0.5882336 4.714015       0.8453779 4.272164       0.8190238 1.041798       2.784869  
1 1 1 -21 20 9  f 12.41577 2.149549  1.620686       0.5359315 2.026812       0.7637935 1.226813       0.7521831 2.995175       4.299097  
1 1 1 -21 20 10 o 69.20023 1.285285  47.75522       1.769877  44.87422       2.363238  51.43511       2.670869  -4.703094      2.570569  
1 1 1 -21 20 11 o 78.54504 0.9191979 61.82155       1.443699  61.25109       2.018778  62.41867       2.065419  -0.7391815     1.838396  
1 1 1 -21 20 12 o 57.69413 0.7418897 33.33573       0.8560499 33.28262       1.208513  33.38922       1.212773  -0.9207916E-01 1.483779  
1 1 1 -21 20 13 o 14.45669 0.6425086 2.094671       0.1849067 2.067243       0.2741168 2.117572       0.2504746 -0.1755447     1.285017  
1 1 1 -21 20 14 f 19.37648 0.6188356 3.732007       0.2388510 4.058781       0.3579650 3.469768       0.3206756 1.517635       1.237671  
1 1 1 -21 20 15 o 57.80481 0.9943364 32.69905       1.020561  31.79366       1.186776  35.26932       1.999575  -2.926735      1.988673  
1 1 1 -21 20 16 o 52.33115 1.148666  27.48441       1.202036  27.18576       1.682224  27.79598       1.718219  -0.5788116     2.297331  
1 1 1 -21 20 17 o 31.42947 1.142036  9.877012       0.7149125 8.685806       0.9808569 11.22702       1.044191  -4.035244      2.284073  
1 1 1 -21 20 18 o 19.52693 1.509379  3.859168       0.5861609 4.224447       0.8166711 3.471051       0.8418139 1.933064       3.018758  
1 1 1 -21 20 19 o 19.87265 1.453818  3.965504       0.5748680 4.548219       0.8341057 3.438285       0.7933936 2.786425       2.907637  
1 1 1 -21 20 20 o 76.13177 1.156345  58.26757       1.631810  57.99399       2.915390  58.39238       1.969167  -0.3756180     2.312690  
1 1 1 -21 20 21 o 9.693183 1.477045  0.7643862      0.2441112 1.504580       0.5313540 0.5663663      0.2748311 4.659504       2.954091  
1 1 1 -21 20 22 o 68.55317 0.8545432 47.09177       1.171378  47.63761       1.677599  46.57246       1.636330  0.7729492      1.709086  
1 1 1 -21 20 23 f 22.42448 0.7235770 5.116354       0.3172517 3.892522       0.4497443 6.328472       0.4475868 -5.431627      1.447154  
1 1 1 -21 20 24 o 33.72160 0.6684891 11.40276       0.4501473 11.07398       0.6491618 11.70728       0.6247486 -0.9409447     1.336978  
1 1 1 -21 20 25 o 55.56698 0.7590407 30.91642       0.8432465 29.90597       1.175390  31.98802       1.210444  -1.870209      1.518081  
1 1 1 -21 20 26 o 27.05940 0.6985709 7.172901       0.3737804 8.549995       0.5831952 6.212864       0.4869410 4.310028       1.397142  
1 1 1 -21 20 27 o 66.13339 0.8445230 43.83471       1.116809  42.84401       1.562050  44.87071       1.597355  -1.528389      1.689046  
1 1 1 -21 20 28 o 45.49875 0.7196164 20.11366       0.6432608 24.23135       1.035283  17.52435       0.8209645 7.349770       1.439233  
1 1 1 -21 20 29 o 38.42145 0.6949263 14.77025       0.5324988 15.03711       0.7861012 14.54397       0.7238756 0.6358833      1.389853  
1 1 1 -21 20 30 o 25.91386 0.7305457 6.581738       0.3733153 7.619030       0.5914823 5.894943       0.4812879 3.315414       1.461091  
1 1 1 -21 20 31 f 42.11897 0.7106230 17.78433       0.5980484 16.84323       0.8436717 18.73484       0.8478804 -2.245125      1.421246  
1 1 1 -21 20 32 f 20.28905 0.8339072 3.970767       0.3313560 4.969172       0.5393398 3.365426       0.4199613 3.937653       1.667814  
1 1 1 -21 20 33 o 55.72420 0.7885785 31.00140       0.8769906 28.89028       1.195602  33.46024       1.290310  -4.089378      1.577157  
1 1 1 -21 20 34 o 38.69553 0.7281246 15.03072       0.5623741 14.60889       0.8146342 15.41478       0.7773121 -1.045643      1.456249  
1 1 1 -21 20 35 o 51.37495 0.7694075 26.41158       0.7896292 24.80819       1.089723  28.18422       1.145794  -3.278316      1.538815  
1 1 1 -21 20 36 o 28.59234 0.8690975 8.041750       0.4706919 8.712230       0.8225908 7.715351       0.5739378 1.705482       1.738195  
1 1 1 -21 20 37 o 9.466641 1.827129  0.6076319      0.3753259 1.810452       0.7011969 0.1246303      0.4443385 7.246643       3.654259  
1 1 1 -21 20 38 o 27.15966 1.010611  7.509283       0.5358852 6.941069       0.8370840 7.903869       0.6975636 -1.797655      2.021222  
1 1 1 -21 20 39 o 14.36095 1.465189  1.967716       0.4079529 2.623842       0.6871462 1.610567       0.5069673 3.477325       2.930377  
1 1 1 -21 20 40 o 31.53424 0.9787994 10.07185       0.6108573 9.399312       0.9143469 10.61401       0.8209465 -1.944080      1.957599  
1 1 1 -21 20 41 o 49.84581 1.033683  24.69975       1.018335  26.90464       1.590672  23.16852       1.325585  3.691086       2.067366  
1 1 1 -21 20 42 o 49.63762 1.049522  24.84556       1.039699  22.99784       1.470792  26.69110       1.469921  -3.720421      2.099043  
1 1 1 -21 20 43 o 31.01333 1.035858  9.335345       0.6254313 11.20209       1.039187  8.275150       0.7831483 4.660149       2.071716  
1 1 1 -21 20 44 o 39.62506 1.013547  15.73466       0.7953777 16.30751       1.222134  15.31376       1.047597  1.213234       2.027094  
1 1 1 -21 20 45 o 22.13951 1.244946  4.815362       0.5359393 5.540492       0.8896219 4.402269       0.6714618 2.503540       2.489893  
1 1 1 -21 20 46 o 35.21871 1.414065  13.32617       0.8751523 10.93674       1.615477  14.31868       1.041163  -4.991165      2.828131  
1 1 1 -21 20 47 o 39.63309 2.287824  0.000000       0.000000  ?              ?         15.99741       1.813471  ?              ?         
1 1 1 -21 21 1  o 43.25394 1.147085  18.77796       0.9916523 18.55081       1.373971  19.02495       1.432687  -0.5405388     2.294171  
1 1 1 -21 21 2  f 29.11180 1.241603  8.425296       0.7184774 7.296224       0.9650778 9.829165       1.076130  -4.335186      2.483206  
1 1 1 -21 21 3  o 17.10725 1.701650  2.931955       0.5767250 2.411746       0.7833546 3.547640       0.8522143 -3.307261      3.403301  
1 1 1 -21 21 4  o 48.57491 1.163767  23.67263       1.130009  24.75071       1.622599  22.65736       1.574628  2.148762       2.327533  
1 1 1 -21 21 5  f 13.11514 2.108056  1.806485       0.5413389 1.570700       0.7502465 2.062565       0.7818699 -1.812469      4.216111  
1 1 1 -21 21 6  o 52.23282 1.171540  27.33899       1.222044  26.41704       1.673836  28.39134       1.788298  -1.875652      2.343081  
1 1 1 -21 21 7  o 27.55305 1.268461  7.628324       0.6943027 8.846835       1.001190  6.499432       0.9636693 4.254778       2.536921  
1 1 1 -21 21 8  o 70.14558 1.313363  49.33876       1.840159  51.90440       2.686397  47.07074       2.525779  3.423134       2.626726  
1 1 1 -21 21 9  o 54.73480 1.182320  30.05809       1.293466  29.38462       1.791086  30.79215       1.869936  -1.275909      2.364640  
1 1 1 -21 21 10 o 24.49203 1.333184  6.025600       0.6525965 5.906065       0.9030501 6.156263       0.9441425 -0.5049763     2.666367  
1 1 1 -21 21 11 f 53.17156 0.7127638 27.90800       0.7510643 25.44880       0.9843290 31.33488       1.161967  -5.521542      1.425528  
1 1 1 -21 21 12 o 73.49582 0.8780774 54.12610       1.290403  53.45364       1.801761  54.83425       1.848965  -0.9348373     1.756155  
1 1 1 -21 21 13 o 42.80501 0.6476555 18.01448       0.5491207 15.94638       0.7187635 20.91377       0.8510327 -5.793167      1.295311  
1 1 1 -21 21 14 o 74.68841 0.8937004 55.56963       1.329002  59.51736       1.997586  52.43458       1.780137  4.720551       1.787401  
1 1 1 -21 21 15 o 15.34122 0.7176589 2.459107       0.2103947 1.723114       0.3096663 3.090158       0.2867404 -4.457184      1.435318  
1 1 1 -21 21 16 o 17.18454 0.6815840 2.881918       0.2309282 3.431136       0.3660569 2.518851       0.2976254 2.649195       1.363168  
1 1 1 -21 21 17 f 34.27370 0.6298200 11.76954       0.4313440 11.53981       0.6194731 11.98575       0.6009727 -0.6518669     1.259640  
1 1 1 -21 21 18 o 71.94223 0.8773690 51.87830       1.262244  52.37518       1.802133  51.39980       1.768506  0.6745071      1.754738  
1 1 1 -21 21 19 f 34.00131 0.6415153 11.59634       0.4354588 11.12888       0.6265168 12.03321       0.6056756 -1.331413      1.283031  
1 1 1 -21 21 20 o 59.49402 0.7847582 35.47040       0.9336905 35.36365       1.327913  35.57478       1.313087  -0.1788292     1.569516  
1 1 1 -21 21 21 o 9.024126 1.323970  0.8460253      0.2270831 0.8628579      0.3609709 0.8350006      0.2921311 0.1072083      2.647939  
1 1 1 -21 21 22 o 22.33597 0.7261413 5.031254       0.3216347 4.695599       0.4773272 5.310395       0.4352936 -1.380066      1.452283  
1 1 1 -21 21 23 o 29.67293 0.6816386 8.856043       0.4026448 7.970507       0.5743458 9.711871       0.5646300 -2.935112      1.363277  
1 1 1 -21 21 24 o 29.72118 0.7584506 8.924857       0.4470366 9.953242       0.6206269 7.815982       0.6444567 3.597897       1.516901  
1 1 1 -21 21 25 o 45.50493 0.9776800 20.97152       0.8003218 21.22192       0.9472823 20.34702       1.495968  1.031631       1.955360  
1 1 1 -21 21 26 o 53.29941 0.9994970 28.74356       0.9812756 29.10830       1.181364  27.93192       1.762266  1.180782       1.998994  
1 1 1 -21 21 27 o 29.84968 1.060484  8.935968       0.6014970 8.906748       0.7422119 8.991880       1.026688  -0.1013680     2.120968  
1 1 1 -21 21 28 o 30.75128 1.243717  9.521274       0.7639181 8.931708       1.077211  10.11775       1.083503  -1.927319      2.487435  
1 1 1 -21 21 29 o 8.838492 2.194012  0.4525781      0.5221539 1.317985       0.8237317 -0.1287347     0.6751193 4.885388       4.388025  
1 1 1 -21 21 30 o 45.20573 1.169108  20.50188       1.055355  18.99920       1.455984  22.16535       1.531904  -3.488876      2.338216  
1 1 1 -21 21 31 o 23.14473 1.522223  5.367196       0.7008324 6.215585       1.039932  4.661274       0.9486056 3.336496       3.044446  
1 1 1 -21 21 32 o 49.40636 1.228675  24.58261       1.213821  24.50600       1.733324  24.65633       1.700357  -0.1587830     2.457351  
1 1 1 -21 21 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 21 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 21 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 21 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 21 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 21 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 21 39 o 8.944816 3.509116  0.5196822      0.9140000 0.5196822      0.9140000 ?              ?         ?              ?         
1 1 1 -21 21 40 o 19.65100 2.597917  3.943755       1.021034  3.943755       1.021034  ?              ?         ?              ?         
1 1 1 -21 21 41 o 31.14326 1.562310  9.772795       0.9731082 9.772795       0.9731082 ?              ?         ?              ?         
1 1 1 -21 21 42 f 29.91166 1.201854  9.042520       0.7130249 9.129662       0.9518706 8.931108       1.076293  0.3658066      2.403709  
1 1 1 -21 21 43 o 55.36427 1.106519  30.84180       1.223392  28.59136       1.691179  33.31224       1.771919  -4.242023      2.213038  
1 1 1 -21 21 44 o 11.52030 1.957727  1.285507       0.4454153 2.088486       0.7409847 0.8312052      0.5573513 5.043531       3.915454  
1 1 1 -21 21 45 o 10.57666 2.024760  1.026672       0.4398590 1.833945       0.7547137 0.6114075      0.5412955 5.043366       4.049521  
1 1 1 -21 21 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 22 1  f 83.31580 1.467556  69.79048       2.441152  67.34554       3.335306  72.61136       3.582559  -3.113976      2.935111  
1 1 1 -21 22 2  o 33.56068 1.216633  11.27809       0.8148607 10.65134       1.108884  12.01384       1.201448  -2.015778      2.433266  
1 1 1 -21 22 3  o 21.52995 1.524715  4.661472       0.6509393 3.876632       0.8949597 5.543036       0.9485067 -3.859936      3.049430  
1 1 1 -21 22 4  o 11.31893 2.365772  1.326582       0.5727753 1.356990       0.8088986 1.296004       0.8111593 0.2178469      4.731544  
1 1 1 -21 22 5  o 62.23978 1.256979  38.68757       1.557523  36.37248       2.084770  41.61205       2.343138  -4.169769      2.513958  
1 1 1 -21 22 6  o 64.45058 1.275653  41.76989       1.644288  41.90291       2.319327  41.63547       2.331470  0.2093430      2.551306  
1 1 1 -21 22 7  o 83.73501 1.470915  70.18225       2.451666  66.30231       3.279697  75.09635       3.690989  -5.178543      2.941830  
1 1 1 -21 22 8  o 38.15785 1.156424  14.62660       0.8824492 14.66599       1.240385  14.58622       1.255699  0.1066551      2.312849  
1 1 1 -21 22 9  o 20.47818 1.531910  4.259011       0.6219509 4.810492       0.8691370 3.680229       0.8903906 2.763535       3.063819  
1 1 1 -21 22 10 o 57.83086 1.212063  33.59492       1.401524  34.65269       2.004870  32.58395       1.960000  1.782108       2.424127  
1 1 1 -21 22 11 o 32.98466 0.5783682 10.88587       0.3814182 10.64864       0.5310804 11.13859       0.5481377 -0.7415199     1.156736  
1 1 1 -21 22 12 o 61.75792 0.7818058 38.21883       0.9656193 38.08748       1.358921  38.35278       1.372362  -0.2135201     1.563612  
1 1 1 -21 22 13 o 29.79587 0.5879205 8.886039       0.3502916 9.017383       0.5011182 8.760534       0.4898482 0.4302082      1.175841  
1 1 1 -21 22 14 o 23.20053 0.5978953 5.390646       0.2771413 5.359490       0.4005663 5.419255       0.3838426 -0.1300259     1.195791  
1 1 1 -21 22 15 o 24.32682 0.6167059 5.943300       0.2990739 5.642607       0.4336739 6.215996       0.4129922 -1.180092      1.233412  
1 1 1 -21 22 16 o 54.91830 0.7471263 30.11023       0.8189412 28.51982       1.115452  31.96987       1.206177  -3.132538      1.494253  
1 1 1 -21 22 17 o 33.36225 0.6397740 11.15095       0.4267094 10.82085       0.6049820 11.47775       0.6019461 -0.9847374     1.279548  
1 1 1 -21 22 18 o 79.50299 0.9491192 63.37801       1.508478  62.18959       2.095556  64.65609       2.173180  -1.541611      1.898238  
1 1 1 -21 22 19 f 72.97954 0.8915756 53.32053       1.299830  51.45823       1.786448  55.41560       1.894809  -2.698509      1.783151  
1 1 1 -21 22 20 o 46.53491 0.7059699 21.69773       0.6569579 21.57091       0.9351072 21.82133       0.9231652 -0.2701988     1.411940  
1 1 1 -21 22 21 o 28.71834 0.6751677 8.288565       0.3864567 7.610544       0.5521374 8.939736       0.5410946 -2.315193      1.350335  
1 1 1 -21 22 22 o 50.25551 0.7340878 25.30095       0.7376655 24.54291       1.034190  26.08605       1.052484  -1.533463      1.468176  
1 1 1 -21 22 23 o 20.24383 0.7843389 4.154300       0.3119121 3.831769       0.4779287 4.393601       0.4116707 -1.394756      1.568678  
1 1 1 -21 22 24 o 5.246689 1.501009  0.9136198E-01  0.2351842 0.2304983      0.4012443 0.1854356E-01  0.2902749 1.524240       3.002018  
1 1 1 -21 22 25 o 31.29635 0.6917974 9.851062       0.4313024 9.228220       0.6250032 10.41733       0.5959415 -1.902660      1.383595  
1 1 1 -21 22 26 o 13.02088 1.247993  1.946003       0.2786997 1.050094       0.4329722 2.579826       0.3641768 -6.039195      2.495986  
1 1 1 -21 22 27 f 52.80433 0.7675511 27.94908       0.8104647 28.08372       1.158005  27.81980       1.134691  0.2472687      1.535102  
1 1 1 -21 22 28 o 26.54848 0.7371148 7.041582       0.3890415 7.270085       0.5870180 6.862604       0.5195202 0.7597923      1.474230  
1 1 1 -21 22 29 o 44.10272 0.8403131 19.57762       0.7118494 19.28204       1.180343  19.74657       0.8924047 -0.5655975     1.680626  
1 1 1 -21 22 30 o 42.02222 0.9137537 17.76366       0.7661080 17.14527       1.110698  18.32487       1.058095  -1.411789      1.827507  
1 1 1 -21 22 31 o 21.36625 1.006588  4.609492       0.4219616 4.474433       0.6592868 4.703206       0.5491775 -0.5547180     2.013177  
1 1 1 -21 22 32 o 37.25098 0.8239048 13.88988       0.6104200 13.61841       0.8176061 14.23176       0.9175391 -0.8087502     1.647810  
1 1 1 -21 22 33 o 58.88703 0.9150427 34.65042       1.071569  36.37798       1.618640  33.30257       1.429735  2.580498       1.830085  
1 1 1 -21 22 34 o 32.01844 0.9263269 10.24477       0.5865856 10.64322       0.9067523 9.958024       0.7692242 1.046535       1.852654  
1 1 1 -21 22 35 o 42.04218 0.9465609 17.26992       0.7795390 20.18702       1.267212  15.49397       0.9887587 5.530125       1.893122  
1 1 1 -21 22 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 22 37 o 27.87099 1.034272  8.072686       0.5573457 6.096427       0.8231066 9.746013       0.7573986 -6.560892      2.068545  
1 1 1 -21 22 38 o 34.35956 0.9754771 11.98582       0.6627592 10.98663       0.9889553 12.80043       0.8929470 -2.660194      1.950954  
1 1 1 -21 22 39 o 56.25703 1.084981  31.85559       1.219276  29.72419       1.700246  34.11211       1.749440  -3.888142      2.169962  
1 1 1 -21 22 40 o 18.83320 1.339013  3.840579       0.4674121 2.730270       0.7465147 4.556538       0.5994599 -4.890629      2.678025  
1 1 1 -21 22 41 o 43.49088 1.011566  19.05655       0.8744017 18.93752       1.309410  19.15236       1.174709  -0.2793503     2.023132  
1 1 1 -21 22 42 o 30.07697 1.044281  9.083966       0.6167329 9.287443       0.9738781 8.947727       0.7968881 0.5182362      2.088562  
1 1 1 -21 22 43 f 9.932119 1.819322  1.111528       0.4320195 0.2621269E-01  0.7391901 1.674580       0.5324176 -5.827168      3.638643  
1 1 1 -21 22 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 23 1  o 29.08755 1.350398  8.530746       0.7841079 9.138105       1.109419  7.924531       1.108374  2.085878       2.700797  
1 1 1 -21 23 2  o 77.43517 1.419062  60.39272       2.196643  59.36535       3.050194  61.49964       3.166090  -1.355690      2.838124  
1 1 1 -21 23 3  o 38.24107 1.199235  14.65741       0.9140591 14.16886       1.234370  15.25056       1.360108  -1.393814      2.398470  
1 1 1 -21 23 4  o 50.45228 1.201298  25.59795       1.211480  26.71586       1.720416  24.49837       1.706255  2.195313       2.402595  
1 1 1 -21 23 5  o 46.46858 1.174289  21.67477       1.089797  21.13560       1.494752  22.28659       1.592279  -1.222961      2.348578  
1 1 1 -21 23 6  o 21.52878 1.548940  4.705035       0.6555072 3.657740       0.9128690 5.819919       0.9418652 -5.015638      3.097879  
1 1 1 -21 23 7  o 61.48873 1.254206  38.03223       1.542238  37.83055       2.163558  38.24056       2.198981  -0.3274117     2.508413  
1 1 1 -21 23 8  f 26.96479 1.311967  7.316686       0.7070001 7.270251       0.9795243 7.367186       1.021494  -0.1723366     2.623935  
1 1 1 -21 23 9  o 27.07465 1.298967  7.363275       0.7022123 6.790618       0.9720171 7.988400       1.015571  -2.204393      2.597934  
1 1 1 -21 23 10 o 20.40658 1.555291  4.210018       0.6311526 3.658068       0.8838498 4.784339       0.9015836 -2.755886      3.110583  
1 1 1 -21 23 11 o 31.63288 0.5768514 9.994485       0.3644907 10.55150       0.5316467 9.500466       0.5006812 1.658895       1.153703  
1 1 1 -21 23 12 o 54.69357 0.7319309 29.95598       0.8003479 30.68682       1.150975  29.27174       1.113672  1.289951       1.463862  
1 1 1 -21 23 13 o 18.25039 0.6030358 3.257277       0.2175037 3.983839       0.3381458 2.744527       0.2840670 3.390888       1.206072  
1 1 1 -21 23 14 o 63.78143 0.8079107 40.78220       1.030588  40.65298       1.454535  40.91247       1.460427  -0.2027702     1.615821  
1 1 1 -21 23 15 o 22.86749 1.444596  5.223767       0.6520724 6.528816       0.9697955 4.146920       0.8809349 5.190742       2.889192  
1 1 1 -21 23 16 o 79.81425 0.9499133 63.87401       1.515443  62.50933       2.100012  65.35691       2.189084  -1.772324      1.899827  
1 1 1 -21 23 17 f 67.64576 0.8473818 45.87654       1.146235  46.43134       1.639694  45.34633       1.602971  0.7976990      1.694764  
1 1 1 -21 23 18 o 23.65808 0.6541767 5.481513       0.3059650 6.523932       0.4781135 4.758538       0.3981726 3.723776       1.308353  
1 1 1 -21 23 19 o 83.59111 0.9873773 70.14792       1.650708  70.06438       2.337984  70.23096       2.330938  -0.1006241     1.974755  
1 1 1 -21 23 20 o 33.93936 0.6565976 11.38986       0.4415281 12.61091       0.6833898 10.51495       0.5784728 3.077847       1.313195  
1 1 1 -21 23 21 o 31.90934 0.6724724 10.21806       0.4281245 9.917440       0.6220446 10.48863       0.5901339 -0.8981419     1.344945  
1 1 1 -21 23 22 o 27.94298 0.6834782 7.619619       0.3764840 9.100383       0.5971367 6.642653       0.4850324 4.386524       1.366956  
1 1 1 -21 23 23 f 17.90267 0.8621140 3.353518       0.2950997 2.370498       0.4356773 4.186812       0.4011282 -5.076964      1.724228  
1 1 1 -21 23 24 o 39.58796 0.6997415 15.70165       0.5531134 15.76374       0.8064307 15.64649       0.7600676 0.1431541      1.399483  
1 1 1 -21 23 25 o 34.76815 0.7077309 12.08891       0.4902342 10.67546       0.6770898 13.64627       0.7107242 -4.268547      1.415462  
1 1 1 -21 23 26 o 53.24051 0.9473069 28.56585       1.003899  27.24562       1.472770  29.71166       1.372031  -2.331825      1.894614  
1 1 1 -21 23 27 o 13.82720 1.230413  1.874038       0.3328079 2.173258       0.5430792 1.694089       0.4211557 1.706642       2.460826  
1 1 1 -21 23 28 o 10.85238 1.578040  1.174860       0.3207151 1.483023       0.5430365 1.009797       0.3974324 2.084208       3.156080  
1 1 1 -21 23 29 o 57.24956 0.9214880 33.02895       1.034097  33.51219       1.341199  32.32053       1.623880  1.086403       1.842976  
1 1 1 -21 23 30 o 42.90984 0.7997111 18.48038       0.6840084 18.36323       1.007776  18.58043       0.9314004 -0.2639313     1.599422  
1 1 1 -21 23 31 o 21.60052 0.9809118 4.637256       0.4153143 4.942544       0.6652583 4.442287       0.5316414 1.134109       1.961824  
1 1 1 -21 23 32 o 23.89531 0.9785888 5.788243       0.4578328 5.484628       0.7147719 5.999472       0.5961884 -1.099197      1.957178  
1 1 1 -21 23 33 o 27.73545 0.9367398 7.675314       0.5126839 8.058606       0.8008462 7.409149       0.6673599 1.146070       1.873480  
1 1 1 -21 23 34 f 50.41488 1.004266  25.46915       1.007004  26.41374       1.516856  24.72476       1.346545  1.640781       2.008532  
1 1 1 -21 23 35 o 60.43005 1.106217  36.72751       1.333299  37.57226       1.969014  36.01219       1.811908  1.253685       2.212434  
1 1 1 -21 23 36 o 52.32946 1.035807  27.49108       1.078908  28.34496       1.616487  26.80512       1.448853  1.432487       2.071614  
1 1 1 -21 23 37 o 38.73375 0.9727861 15.06239       0.7464793 15.30195       1.140497  14.88286       0.9873491 0.5081825      1.945572  
1 1 1 -21 23 38 o 20.63021 1.208001  4.457636       0.4779944 3.570354       0.7422637 5.086286       0.6247867 -3.705433      2.416002  
1 1 1 -21 23 39 o 35.07928 0.9781467 12.45056       0.6821343 11.61137       0.9991111 13.18329       0.9335864 -2.255802      1.956293  
1 1 1 -21 23 40 o 40.37402 0.9948921 16.48220       0.7983006 15.73700       1.181404  17.10837       1.082946  -1.722988      1.989784  
1 1 1 -21 23 41 o 19.38474 1.282691  3.864544       0.4774003 3.555951       0.7765887 4.052007       0.6052774 -1.332233      2.565382  
1 1 1 -21 23 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 24 1  o 22.36389 1.577221  5.037338       0.7031181 4.491092       0.9676841 5.648260       1.023369  -2.574219      3.154442  
1 1 1 -21 24 2  o 40.00967 1.219487  16.11002       0.9755608 16.30057       1.369056  15.91346       1.390497  0.4876022      2.438974  
1 1 1 -21 24 3  o 44.10036 1.218466  19.53945       1.073291  21.00299       1.547623  18.18331       1.489755  3.186577       2.436931  
1 1 1 -21 24 4  o 36.67072 1.226145  13.51190       0.8983298 13.13677       1.236624  13.93106       1.307170  -1.070354      2.452290  
1 1 1 -21 24 5  f 55.29922 1.233554  30.72996       1.363306  32.29440       1.967960  29.28642       1.890390  2.705780       2.467108  
1 1 1 -21 24 6  o 8.866461 2.200512  0.3325474      0.5758175 1.429483       0.8456426 -0.6157268     0.7862546 5.661342       4.401025  
1 1 1 -21 24 7  o 53.30212 1.219156  28.57958       1.299536  29.14218       1.851116  28.03286       1.824808  1.035927       2.438312  
1 1 1 -21 24 8  o 27.56551 1.352205  7.620891       0.7435457 8.413181       1.091000  6.933706       1.016060  2.668856       2.704410  
1 1 1 -21 24 9  o 12.20721 2.290288  1.561785       0.5876226 1.018668       0.8239220 2.124041       0.8383126 -3.932672      4.580576  
1 1 1 -21 24 10 o 30.87257 1.271016  9.581755       0.7842709 9.990457       1.133498  9.206406       1.086263  1.261095       2.542032  
1 1 1 -21 24 11 o 43.08393 0.6534908 18.59453       0.5630698 18.62714       0.8007095 18.56263       0.7919644 0.7403564E-01  1.306982  
1 1 1 -21 24 12 o 54.18845 0.7354980 29.40299       0.7967343 30.32924       1.148262  28.54303       1.106408  1.643665       1.470996  
1 1 1 -21 24 13 o 64.24685 0.8190092 41.38702       1.052292  41.68296       1.499517  41.09988       1.477068  0.4510956      1.638018  
1 1 1 -21 24 14 o 56.11036 0.7552317 31.32630       0.8435510 33.92430       1.270379  29.27742       1.128165  4.125130       1.510463  
1 1 1 -21 24 15 o 76.00511 0.9185358 57.96944       1.396265  58.02885       1.977091  57.91031       1.972153  0.7731628E-01  1.837072  
1 1 1 -21 24 16 f 84.43857 0.9936545 71.58175       1.677916  72.28395       2.391861  70.90135       2.354444  0.8132401      1.987309  
1 1 1 -21 24 17 f 49.24519 0.7148909 24.26949       0.7036150 23.23481       0.9748627 25.39460       1.016571  -2.188484      1.429782  
1 1 1 -21 24 18 o 29.30862 0.6468406 8.550552       0.3774675 9.168884       0.5673469 8.059466       0.5056104 1.886652       1.293681  
1 1 1 -21 24 19 o 29.07025 0.6661727 8.461526       0.3844640 7.140966       0.5319455 9.905776       0.5563003 -4.752916      1.332345  
1 1 1 -21 24 20 o 48.44705 0.7227437 23.45591       0.6986484 24.50917       1.031561  22.56338       0.9495963 1.998760       1.445487  
1 1 1 -21 24 21 f 21.32104 0.7392750 4.355021       0.3081034 5.813900       0.4985674 3.453652       0.3918914 5.522087       1.478550  
1 1 1 -21 24 22 o 15.39062 0.9515601 2.244569       0.2821539 2.898053       0.4855517 1.911398       0.3466979 3.182836       1.903120  
1 1 1 -21 24 23 o 59.06667 1.037556  34.96503       1.221943  36.39994       1.813703  33.77234       1.653556  2.195343       2.075112  
1 1 1 -21 24 24 o 12.62846 1.270024  1.711043       0.2946572 1.319683       0.4653307 1.973004       0.3807082 -2.771560      2.540047  
1 1 1 -21 24 25 f 43.90151 0.8515188 19.34522       0.7474456 19.43792       1.046046  19.24852       1.068403  0.2190628      1.703038  
1 1 1 -21 24 26 o 43.60006 0.7925977 18.94033       0.6874720 20.27976       1.038770  17.89644       0.9170344 2.716103       1.585195  
1 1 1 -21 24 27 o 16.33892 1.050133  2.721992       0.3362167 2.470184       0.5162638 2.907445       0.4430529 -1.351696      2.100266  
1 1 1 -21 24 28 o 30.89425 0.8619792 9.475516       0.5262853 10.24730       0.8215149 8.938296       0.6853998 2.096918       1.723958  
1 1 1 -21 24 29 o 53.56857 1.003921  28.85983       1.074695  28.66264       1.548504  29.04307       1.492727  -0.3658180     2.007841  
1 1 1 -21 24 30 o 25.95524 0.9220169 6.797564       0.4725637 6.578059       0.7219387 6.962125       0.6250875 -0.7574520     1.844034  
1 1 1 -21 24 31 o 39.18401 0.9107918 15.46418       0.7116473 14.80398       1.033050  16.06044       0.9817507 -1.612617      1.821584  
1 1 1 -21 24 32 o 43.00967 0.9360920 18.62663       0.8036183 17.42052       1.142987  19.80569       1.130098  -2.775356      1.872184  
1 1 1 -21 24 33 o 13.61423 1.399880  1.868835       0.3637946 1.901782       0.6161918 1.851206       0.4507335 0.1346312      2.799761  
1 1 1 -21 24 34 o 30.93268 0.9495256 9.729900       0.5807927 8.474843       0.8475255 10.84113       0.7974862 -3.835293      1.899051  
1 1 1 -21 24 35 o 32.60409 0.9482673 10.46653       0.6047838 11.74032       0.9830721 9.690881       0.7671293 3.097183       1.896535  
1 1 1 -21 24 36 o 33.96360 0.9522439 11.49405       0.6363232 12.19800       1.006226  11.02491       0.8214295 1.686264       1.904488  
1 1 1 -21 24 37 o 44.00728 0.9798551 19.37910       0.8549814 20.34729       1.310302  18.66123       1.128268  1.872108       1.959710  
1 1 1 -21 24 38 o 41.43649 0.9818764 17.34571       0.8091959 16.66378       1.195330  17.92262       1.099428  -1.542648      1.963753  
1 1 1 -21 24 39 o 23.18178 1.090838  5.363610       0.4978665 5.718945       0.7861247 5.125642       0.6433282 1.241711       2.181675  
1 1 1 -21 24 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 25 1  o 40.95321 1.251636  16.85353       1.022095  16.32350       1.384176  17.48905       1.515678  -1.394348      2.503273  
1 1 1 -21 25 2  o 42.79305 1.250733  18.45149       1.069055  18.44033       1.474573  18.46386       1.552152  -0.1078033E-01 2.501466  
1 1 1 -21 25 3  o 38.01871 1.274890  14.50459       0.9672847 13.54302       1.317519  15.62890       1.424648  -2.719982      2.549779  
1 1 1 -21 25 4  f 63.80347 1.317580  41.00847       1.680541  42.67678       2.415723  39.44391       2.339402  2.516571       2.635160  
1 1 1 -21 25 5  o 53.46272 1.253736  28.79254       1.340404  29.40191       1.902159  28.19147       1.889142  1.129337       2.507471  
1 1 1 -21 25 6  o 19.03255 1.883811  3.745355       0.6801410 2.725131       0.9361390 4.885975       0.9898350 -5.884945      3.767623  
1 1 1 -21 25 7  o 21.50639 1.643649  4.685871       0.7056029 5.054524       1.003449  4.325299       0.9923889 1.692404       3.287298  
1 1 1 -21 25 8  o 26.50692 1.417483  7.086032       0.7511511 6.916393       1.044064  7.268055       1.081501  -0.6547070     2.834966  
1 1 1 -21 25 9  o 8.314466 2.355542  0.3622069      0.5943192 0.3668129      0.8273600 0.3572964      0.8542747 -0.7442093E-01 4.711083  
1 1 1 -21 25 10 o 34.67696 1.255539  12.10262       0.8697727 12.93546       1.247916  11.31583       1.212919  2.328163       2.511078  
1 1 1 -21 25 11 f 17.74353 1.637025  4.224578       0.2943886 2.187437       0.8913986 4.473966       0.3118881 -6.789833      3.274050  
1 1 1 -21 25 12 o 51.04823 1.001597  26.33712       0.8947045 25.85692       1.752172  26.50648       1.040593  -0.7497292     2.003193  
1 1 1 -21 25 13 o 42.28730 0.6660566 17.90072       0.5629711 18.45687       0.8137441 17.39017       0.7796711 1.257477       1.332113  
1 1 1 -21 25 14 o 58.20806 0.7784213 33.93283       0.9054664 32.84826       1.249946  35.13041       1.313460  -1.951992      1.556843  
1 1 1 -21 25 15 o 25.28791 0.6524013 6.385280       0.3243408 4.898640       0.4420440 8.118979       0.4773640 -6.363470      1.304803  
1 1 1 -21 25 16 o 45.24319 0.6913272 20.44946       0.6245189 19.21130       0.8548948 21.86637       0.9145234 -2.927090      1.382654  
1 1 1 -21 25 17 o 27.28159 0.6538836 7.470212       0.3544093 6.394241       0.4947252 8.604512       0.5079576 -4.049343      1.307767  
1 1 1 -21 25 18 o 24.31384 0.6756731 5.950626       0.3267593 5.630538       0.4800450 6.226974       0.4460411 -1.230556      1.351346  
1 1 1 -21 25 19 o 34.88971 0.7382699 12.25854       0.5046878 11.93691       0.7925844 12.47790       0.6545376 -0.7931137     1.476540  
1 1 1 -21 25 20 o 39.64167 0.8260301 15.75556       0.6528732 15.92397       0.9642765 15.61302       0.8871432 0.3809700      1.652060  
1 1 1 -21 25 21 o 33.76788 0.8142267 11.46787       0.5479167 10.35315       0.7750309 12.58168       0.7747115 -3.299828      1.628453  
1 1 1 -21 25 22 o 27.00764 0.7840450 7.325651       0.4229400 6.951579       0.6016822 7.691011       0.5946351 -1.369913      1.568090  
1 1 1 -21 25 23 o 29.34632 0.8236701 8.659500       0.4795096 8.497974       0.7221192 8.786896       0.6413086 -0.5042305     1.647340  
1 1 1 -21 25 24 f 70.20827 1.176242  49.57378       1.650345  47.68824       2.280200  51.64817       2.391669  -2.795898      2.352484  
1 1 1 -21 25 25 o 12.82403 1.345558  1.759371       0.3163475 1.424688       0.5114781 1.966719       0.4025865 -2.321877      2.691116  
1 1 1 -21 25 26 o 35.53349 0.8627457 12.73098       0.6105646 11.73877       0.8795051 13.65398       0.8482788 -2.700211      1.725491  
1 1 1 -21 25 27 o 35.47983 0.8694234 12.51580       0.6104981 13.48459       0.9468843 11.82658       0.7986647 2.310863       1.738847  
1 1 1 -21 25 28 o 30.32382 0.8900232 9.237307       0.5345820 9.234195       0.8142680 9.239662       0.7087035 -0.2793694E-01 1.780046  
1 1 1 -21 25 29 o 26.30800 0.9200330 6.953541       0.4774810 6.973802       0.7391565 6.939034       0.6255044 0.4387856E-01  1.840066  
1 1 1 -21 25 30 o 33.47112 0.9061918 11.31687       0.6023473 10.71538       0.8923296 11.82036       0.8164184 -1.665951      1.812384  
1 1 1 -21 25 31 o 21.01678 1.054447  4.590735       0.4270467 3.788126       0.6634043 5.158645       0.5580406 -3.284466      2.108895  
1 1 1 -21 25 32 o 47.01025 0.9725558 22.10518       0.9084121 23.28880       1.379268  21.19841       1.207230  2.186134       1.945112  
1 1 1 -21 25 33 o 19.36629 1.099518  3.723545       0.4132862 4.009578       0.6818961 3.557468       0.5195950 1.126410       2.199037  
1 1 1 -21 25 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 25 35 f 28.05059 0.9803605 7.876464       0.5402961 8.162519       0.8541873 7.685689       0.6975716 0.8114071      1.960721  
1 1 1 -21 25 36 f 23.48533 1.090469  5.779706       0.4913256 4.531430       0.7557628 6.693460       0.6466138 -4.631411      2.180938  
1 1 1 -21 25 37 o 41.26175 0.9813976 17.19027       0.8067350 16.44247       1.178172  17.85039       1.106947  -1.723244      1.962795  
1 1 1 -21 25 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 26 1  o 22.31939 2.421595  0.000000       0.000000  ?              ?         5.056439       1.080971  ?              ?         
1 1 1 -21 26 2  f 64.78112 1.914523  0.000000       0.000000  ?              ?         42.35628       2.480499  ?              ?         
1 1 1 -21 26 3  o 29.44752 2.046036  0.000000       0.000000  ?              ?         8.763056       1.205014  ?              ?         
1 1 1 -21 26 4  o 23.02166 2.445802  0.000000       0.000000  ?              ?         5.379546       1.126128  ?              ?         
1 1 1 -21 26 5  o 33.92337 1.936124  0.000000       0.000000  ?              ?         11.61596       1.313597  ?              ?         
1 1 1 -21 26 6  o 53.55869 1.588071  28.12115       1.580613  31.55730       2.886733  26.64989       1.888929  4.303257       3.176141  
1 1 1 -21 26 7  o 19.96795 2.139653  3.899015       0.8282948 4.824565       1.396563  3.396772       1.028769  3.435692       4.279307  
1 1 1 -21 26 8  o 33.56006 1.683563  11.58212       1.062234  10.93574       1.819465  11.91636       1.308354  -1.609707      3.367126  
1 1 1 -21 26 9  o 19.29934 2.321763  3.506965       0.8346737 5.218701       1.498303  2.736711       1.005075  6.472555       4.643526  
1 1 1 -21 26 10 o 20.33701 2.216154  4.386664       0.8211479 4.026235       1.399811  4.575766       1.013929  -1.806892      4.432308  
1 1 1 -21 26 11 o 25.20243 0.5763472 6.346388       0.2894563 6.539889       0.4306421 6.186924       0.3909381 0.6962166      1.152694  
1 1 1 -21 26 12 o 5.447868 0.9120320 0.3284559      0.1280956 -0.1370084     0.2160698 0.5807068      0.1590623 -4.324311      1.824064  
1 1 1 -21 26 13 o 23.94521 0.6274682 5.705713       0.2988745 6.110855       0.4518397 5.390564       0.3985102 1.498110       1.254936  
1 1 1 -21 26 14 o 24.34449 2.261022  6.330739       1.029507  4.516678       1.483160  8.017493       1.430170  -7.485725      4.522045  
1 1 1 -21 26 15 o 56.11360 0.9650236 31.47900       1.079923  29.61230       1.461228  33.72578       1.603097  -3.640854      1.930047  
1 1 1 -21 26 16 o 24.83320 1.067321  6.184762       0.5301000 6.184762       0.5301000 ?              ?         ?              ?         
1 1 1 -21 26 17 o 51.94905 1.331181  27.11017       1.383072  27.11017       1.383072  ?              ?         ?              ?         
1 1 1 -21 26 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 26 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 26 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 26 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 26 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 26 23 o 23.43797 1.862886  0.000000       0.000000  ?              ?         5.547291       0.8732452 ?              ?         
1 1 1 -21 26 24 o 34.36178 1.149869  0.000000       0.000000  ?              ?         11.85228       0.7902309 ?              ?         
1 1 1 -21 26 25 o 49.96421 1.319788  0.000000       0.000000  ?              ?         25.09551       1.318843  ?              ?         
1 1 1 -21 26 26 o 47.26677 1.288926  0.000000       0.000000  ?              ?         22.45841       1.218468  ?              ?         
1 1 1 -21 26 27 f 56.28045 1.350669  31.24562       1.336959  33.72202       2.655784  30.40500       1.547326  2.621407       2.701338  
1 1 1 -21 26 28 o 22.07833 1.316874  4.026521       0.4611420 6.545507       1.150886  3.544757       0.5033113 6.606627       2.633747  
1 1 1 -21 26 29 o 23.54827 1.352608  4.956545       0.5038723 6.735748       1.222264  4.592269       0.5530538 4.350887       2.705215  
1 1 1 -21 26 30 o 41.48721 1.236824  18.21569       0.9257674 15.36177       1.652763  19.52049       1.117533  -5.158154      2.473649  
1 1 1 -21 26 31 o 18.64241 1.675356  3.432616       0.4743050 3.713452       1.151549  3.375238       0.5205072 0.6666851      3.350713  
1 1 1 -21 26 32 o 38.00400 1.247003  0.000000       0.000000  ?              ?         14.52291       0.9478225 ?              ?         
1 1 1 -21 26 33 o 40.31710 1.288162  0.000000       0.000000  ?              ?         16.34945       1.038699  ?              ?         
1 1 1 -21 26 34 o 19.81942 2.364143  0.000000       0.000000  ?              ?         4.003989       0.9371188 ?              ?         
1 1 1 -21 26 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 27 11 o 25.84153 0.6171893 6.610003       0.3167728 7.411252       0.4840090 6.009632       0.4189664 2.704014       1.234379  
1 1 1 -21 27 12 o 25.49782 0.6413591 6.527083       0.3261938 5.971133       0.4608329 7.085330       0.4617839 -2.184765      1.282718  
1 1 1 -21 27 13 o 47.46705 0.8495876 22.60434       0.8058134 23.02903       1.168984  22.21984       1.112311  0.8428078      1.699175  
1 1 1 -21 27 14 o 39.46842 0.7729212 15.61306       0.6096789 14.81739       0.8480559 16.46418       0.8771103 -2.081741      1.545842  
1 1 1 -21 27 15 o 29.37191 0.7100700 8.479919       0.4118106 9.734935       0.6486323 7.632430       0.5330179 3.562706       1.420140  
1 1 1 -21 27 16 o 50.98548 0.9088269 26.11406       0.9265940 25.47273       1.303707  26.76873       1.317200  -1.268497      1.817654  
1 1 1 -21 27 17 o 11.71820 0.9988312 1.315766       0.2284829 1.742617       0.3738932 1.061364       0.2886488 2.889632       1.997662  
1 1 1 -21 27 18 o 21.64859 0.7699656 4.659381       0.3289165 4.959932       0.5151452 4.452525       0.4273709 1.158047       1.539931  
1 1 1 -21 27 19 o 14.33744 0.9806734 2.132403       0.2714907 1.753515       0.4190009 2.406586       0.3564343 -2.290155      1.961347  
1 1 1 -21 27 20 o 12.11582 1.180455  1.605224       0.2568519 1.160479       0.4134853 1.884670       0.3277586 -3.164424      2.360909  
1 1 1 -21 27 21 o 12.72901 1.221844  1.756332       0.2827498 1.294122       0.4468772 2.064907       0.3651316 -3.208178      2.443687  
1 1 1 -21 27 22 o 42.26201 0.8700731 17.86693       0.7318165 18.71136       1.100204  17.19684       0.9800717 1.768532       1.740146  
1 1 1 -21 27 23 o 56.95983 1.017878  32.65174       1.159283  31.68329       1.631671  33.63895       1.647390  -1.713169      2.035756  
1 1 1 -21 27 24 o 41.63947 0.8868610 17.43704       0.7372373 16.15777       1.038393  18.73730       1.046881  -3.095798      1.773722  
1 1 1 -21 27 25 o 29.59071 0.8483747 8.654303       0.4953791 9.647130       0.7807256 7.985204       0.6409243 2.781380       1.696749  
1 1 1 -21 27 26 o 18.05977 1.045723  3.373721       0.3655491 2.857135       0.5668941 3.741402       0.4782623 -2.469124      2.091446  
1 1 1 -21 27 27 o 17.96035 1.043440  3.061522       0.3636322 4.155391       0.6087992 2.454829       0.4533941 4.695534       2.086879  
1 1 1 -21 27 28 o 35.42326 0.8824047 12.46515       0.6178095 13.57532       0.9648139 11.69355       0.8043440 2.620972       1.764809  
1 1 1 -21 27 29 o 8.456472 1.775739  0.7593068      0.3212556 0.5712504      0.5434493 0.8603228      0.3982996 -1.125138      3.551477  
1 1 1 -21 27 30 o 23.01104 0.9903441 5.097102       0.4445317 6.466145       0.7345828 4.306073       0.5583779 4.650578       1.980688  
1 1 1 -21 27 31 o 19.05665 1.132254  3.780221       0.4145472 3.167367       0.6525282 4.194954       0.5367903 -2.727507      2.264508  
1 1 1 -21 27 32 o 11.07797 3.574028  0.000000       0.000000  ?              ?         1.262726       0.8997881 ?              ?         
1 1 1 -21 28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 28 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 28 10 o 60.24569 1.404649  36.52190       1.692481  36.52190       1.692481  ?              ?         ?              ?         
1 1 1 -21 28 11 o 41.10955 0.7603307 16.91484       0.6238017 17.65067       0.9191663 16.28655       0.8493428 1.647255       1.520661  
1 1 1 -21 28 12 f 16.97471 0.6668901 2.693161       0.2176012 4.066932       0.3615008 1.912572       0.2724980 6.332677       1.333780  
1 1 1 -21 28 13 o 28.23680 0.6745853 8.006160       0.3803118 7.789253       0.5496051 8.205442       0.5268034 -0.7403812     1.349171  
1 1 1 -21 28 14 o 27.75549 0.6941291 7.740283       0.3841449 7.026858       0.5420600 8.460074       0.5444738 -2.581491      1.388258  
1 1 1 -21 28 15 o 34.21659 0.7356723 11.75204       0.5029234 11.09207       0.7087832 12.42125       0.7137248 -1.941490      1.471345  
1 1 1 -21 28 16 o 8.505638 1.244574  0.7477996      0.1992801 0.7342839      0.3387634 0.7549514      0.2464284 -0.3117857     2.489148  
1 1 1 -21 28 17 o 49.04066 0.8933511 24.16835       0.8757113 24.21381       1.260413  24.12592       1.217583  0.8115005E-01  1.786702  
1 1 1 -21 28 18 o 21.26019 0.7635759 4.496792       0.3211768 4.798333       0.4981400 4.282258       0.4201731 1.200441       1.527152  
1 1 1 -21 28 19 o 48.75272 0.9001037 23.89640       0.8774148 23.61549       1.250751  24.16860       1.231184  -0.5712433     1.800207  
1 1 1 -21 28 20 o 23.83130 0.7810783 5.742535       0.3686427 5.359212       0.5502433 6.054709       0.4965592 -1.468767      1.562157  
1 1 1 -21 28 21 o 47.84355 0.9108955 22.61802       0.8606421 25.48950       1.353393  20.66846       1.115169  4.987682       1.821791  
1 1 1 -21 28 22 o 17.59774 0.9477829 3.134717       0.3271934 3.012382       0.5099046 3.220345       0.4266019 -0.6095657     1.895566  
1 1 1 -21 28 23 o 30.06770 0.8269289 9.001225       0.4912407 9.596104       0.7659477 8.585554       0.6402631 1.654907       1.653858  
1 1 1 -21 28 24 o 40.95722 0.8788369 16.86950       0.7185769 15.55355       1.007178  18.23379       1.025513  -3.267941      1.757674  
1 1 1 -21 28 25 o 23.69904 0.8968619 5.696076       0.4179877 5.363904       0.6423531 5.940021       0.5504739 -1.235971      1.793724  
1 1 1 -21 28 26 o 35.56628 0.8639356 12.74421       0.6122810 12.32676       0.8965619 13.10905       0.8381759 -1.112091      1.727871  
1 1 1 -21 28 27 o 41.24343 0.9022281 17.10190       0.7427581 15.69308       1.038068  18.57982       1.063221  -3.494091      1.804456  
1 1 1 -21 28 28 o 20.72811 1.489274  4.307299       0.4784383 4.456498       1.120469  4.274030       0.5290982 0.2299213      2.978549  
1 1 1 -21 29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 11 o 20.12851 0.6094528 4.084666       0.2437254 3.810483       0.3583018 4.320785       0.3325018 -1.271324      1.218906  
1 1 1 -21 29 12 o 57.47204 0.9672297 33.21772       1.111399  32.40100       1.547617  34.08747       1.597060  -1.455803      1.934459  
1 1 1 -21 29 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 29 14 f 48.24895 0.8696920 23.38072       0.8388734 22.57388       1.167352  24.24230       1.206298  -1.720730      1.739384  
1 1 1 -21 29 15 f 47.55994 0.8687130 22.70383       0.8256710 21.61787       1.143415  23.88711       1.193548  -2.374947      1.737426  
1 1 1 -21 29 16 o 48.77632 0.8869262 23.89610       0.8639492 24.40351       1.261671  23.44811       1.185501  0.9625130      1.773852  
1 1 1 -21 29 17 o 49.01923 0.8960502 24.13130       0.8769008 24.72609       1.285231  23.61325       1.199458  1.115734       1.792100  
1 1 1 -21 29 18 f 29.21933 0.7563007 8.588466       0.4400390 8.389182       0.6492506 8.757791       0.5984651 -0.6404305     1.512601  
1 1 1 -21 29 19 o 52.37500 0.9439158 27.59949       0.9880229 27.71712       1.426256  27.49095       1.369992  0.2026634      1.887832  
1 1 1 -21 29 20 f 30.14028 0.7897532 9.170850       0.4735826 8.358876       0.6832529 9.921651       0.6570115 -2.597569      1.579506  
1 1 1 -21 29 21 o 9.377326 1.472303  0.8996307      0.2573607 1.011908       0.4467504 0.8438636      0.3148534 0.7992172      2.944606  
1 1 1 -21 29 22 o 16.17263 0.9893278 2.573243       0.3134361 2.925841       0.5080358 2.356551       0.3982683 1.733257       1.978656  
1 1 1 -21 29 23 f 51.57706 0.9663426 26.76343       0.9945844 27.00738       1.459120  26.55173       1.359290  0.4174194      1.932685  
1 1 1 -21 29 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -21 30 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 0  1  o 74.95926 1.219754  56.28519       1.826349  55.75230       2.563766  56.83422       2.602361  -0.000000      0.000000  
1 1 1 -20 0  2  o 89.87898 1.416861  80.91708       2.543815  81.67928       3.630734  80.18217       3.565156  -0.000000      0.000000  
1 1 1 -20 0  3  o 226.4726 3.357584  514.4126       15.19103  509.7365       21.27308  519.2783       21.70001  -0.000000      0.000000  
1 1 1 -20 0  4  f 84.27057 1.341083  71.09837       2.256555  72.46487       3.254901  69.83376       3.131194  -0.000000      0.000000  
1 1 1 -20 0  5  o 71.11295 1.174258  50.62194       1.667196  49.41422       2.312305  51.92954       2.406028  -0.000000      0.000000  
1 1 1 -20 0  6  o 58.17584 1.038826  33.91670       1.206908  33.58205       1.709985  34.24889       1.703683  -0.000000      0.000000  
1 1 1 -20 0  7  o 269.3653 5.633075  728.3032       30.31754  728.3032       30.31754  728.3032       30.31754  -0.000000      0.000000  
1 1 1 -20 0  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 0  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 0  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 0  11 o 168.5262 3.566952  284.6725       12.01050  284.6725       12.01050  284.6725       12.01050  -0.000000      0.000000  
1 1 1 -20 0  12 o 239.0585 3.541970  573.3115       16.91692  569.4885       23.74956  577.2490       24.10262  -0.000000      0.000000  
1 1 1 -20 0  13 o 230.5380 3.421074  532.9997       15.75414  539.8396       22.59109  526.5243       21.98088  -0.000000      0.000000  
1 1 1 -20 0  14 o 300.4365 4.439689  906.5821       26.64926  912.1774       37.94341  901.1353       37.43719  -0.000000      0.000000  
1 1 1 -20 0  15 o 109.2546 1.689890  119.5365       3.687517  117.4094       5.138187  121.7957       5.295230  -0.000000      0.000000  
1 1 1 -20 0  16 o 151.0163 2.273536  228.5655       6.859871  228.5986       9.713254  228.5326       9.689434  -0.000000      0.000000  
1 1 1 -20 0  17 o 167.8914 2.513644  282.4874       8.430109  285.8521       12.07433  279.2872       11.77525  -0.000000      0.000000  
1 1 1 -20 0  18 o 55.78889 1.023689  31.11643       1.138769  29.86265       1.558728  32.55167       1.667718  -0.000000      0.000000  
1 1 1 -20 0  19 o 83.24368 1.338241  69.42557       2.225435  69.63122       3.152096  69.22117       3.142405  -0.000000      0.000000  
1 1 1 -20 0  20 o 48.70122 0.9435982 23.77549       0.9175478 23.72889       1.293541  23.82267       1.301715  -0.000000      0.000000  
1 1 1 -20 0  21 f 83.69679 1.347368  70.18680       2.252783  70.40514       3.195332  69.97099       3.176582  -0.000000      0.000000  
1 1 1 -20 0  22 o 104.7541 1.632495  109.9333       3.415851  111.2390       4.889136  108.6882       4.774392  -0.000000      0.000000  
1 1 1 -20 0  23 o 62.71175 1.102934  39.35922       1.380244  40.63936       2.003562  38.20295       1.904149  -0.000000      0.000000  
1 1 1 -20 0  24 o 79.99344 1.303718  64.11887       2.083313  64.19524       2.945606  64.04246       2.946892  -0.000000      0.000000  
1 1 1 -20 0  25 o 149.3140 2.254264  223.5325       6.724065  221.4144       9.413954  225.7385       9.607530  -0.000000      0.000000  
1 1 1 -20 0  26 o 23.57106 0.9369170 5.611830       0.4385974 5.712704       0.6160823 5.508166       0.6245450 -0.000000      0.000000  
1 1 1 -20 0  27 o 17.67914 1.105543  3.202340       0.3846628 3.278556       0.5363321 3.121607       0.5519968 -0.000000      0.000000  
1 1 1 -20 0  28 o 13.52942 1.322120  1.907024       0.3464542 1.773993       0.4760368 2.056842       0.5051814 -0.000000      0.000000  
1 1 1 -20 0  29 o 17.80260 1.093339  3.234893       0.3832377 3.075811       0.5274871 3.412745       0.5577370 -0.000000      0.000000  
1 1 1 -20 0  30 o 87.53575 1.408023  76.81262       2.462207  76.94703       3.484955  76.67866       3.479226  -0.000000      0.000000  
1 1 1 -20 0  31 o 88.33994 1.424349  78.05779       2.509701  75.19939       3.434247  81.33392       3.676647  -0.000000      0.000000  
1 1 1 -20 0  32 o 29.49083 0.8964069 8.730448       0.5258735 9.386703       0.7619352 8.133471       0.7267096 -0.000000      0.000000  
1 1 1 -20 0  33 o 145.2295 2.206146  211.7777       6.400486  209.7381       8.962776  213.9003       9.143230  -0.000000      0.000000  
1 1 1 -20 0  34 o 52.50294 1.012754  27.59933       1.060778  26.51626       1.463757  28.79727       1.539436  -0.000000      0.000000  
1 1 1 -20 0  35 o 50.47350 0.9931241 25.53799       1.000441  25.08104       1.391949  26.02629       1.438894  -0.000000      0.000000  
1 1 1 -20 0  36 o 67.32098 1.168024  45.44656       1.570516  45.49449       2.228865  45.39930       2.213306  -0.000000      0.000000  
1 1 1 -20 0  37 o 20.47389 1.046926  4.246367       0.4228505 4.727788       0.6164191 3.818472       0.5811407 -0.000000      0.000000  
1 1 1 -20 0  38 o 4.508975 1.946785  0.1908188      0.3247788 0.2291409      0.4565436 0.1515547      0.4621204 -0.000000      0.000000  
1 1 1 -20 0  39 o 88.14600 1.434724  77.95496       2.526168  78.40965       3.596432  77.51215       3.549119  -0.000000      0.000000  
1 1 1 -20 0  40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 0  41 o 6.433136 2.280134  0.5951161      0.3733631 0.8113375      0.5257451 0.3751196      0.5303148 -0.000000      0.000000  
1 1 1 -20 0  42 o 6.161115 2.245059  0.5319160      0.3753470 0.7809854      0.5202237 0.2614655      0.5420930 -0.000000      0.000000  
1 1 1 -20 0  43 o 6.779989 2.288760  0.6669557      0.3587687 0.5198495      0.4911527 0.8352410      0.5253201 -0.000000      0.000000  
1 1 1 -20 0  44 o 61.23061 1.135585  37.63297       1.388487  37.21342       1.959004  38.05648       1.968265  -0.000000      0.000000  
1 1 1 -20 0  45 o 17.39675 1.259087  3.135460       0.4280587 2.853663       0.6065857 3.415003       0.6041546 -0.000000      0.000000  
1 1 1 -20 0  46 o 30.71270 1.020490  9.508856       0.6238416 9.630930       0.8877635 9.389772       0.8768286 -0.000000      0.000000  
1 1 1 -20 0  47 o 45.73403 1.028244  20.97356       0.9373214 21.89101       1.366722  20.15885       1.287929  -0.000000      0.000000  
1 1 1 -20 0  48 o 24.31753 1.088133  5.994892       0.5244234 5.682238       0.7347268 6.319608       0.7487658 -0.000000      0.000000  
1 1 1 -20 0  49 o 23.87500 1.151392  5.794185       0.5445324 5.864349       0.7676591 5.723128       0.7725343 -0.000000      0.000000  
1 1 1 -20 0  50 o 62.24798 1.186846  38.94154       1.475134  38.82586       2.094078  39.05548       2.078321  -0.000000      0.000000  
1 1 1 -20 0  51 f 10.57841 2.202706  1.429480       0.4389093 2.047917       0.6285431 0.8409338      0.6131655 -0.000000      0.000000  
1 1 1 -20 0  52 f 18.88165 1.411943  3.699161       0.5221295 3.515990       0.7338758 3.886923       0.7430143 -0.000000      0.000000  
1 1 1 -20 0  53 f 4.724937 2.143615  0.6305558E-01  0.4477372 0.1315468      0.6205367 -0.1132440E-01 0.6466632 -0.000000      0.000000  
1 1 1 -20 0  54 o 42.17300 1.082235  17.81550       0.9075642 16.17204       1.236888  19.73229       1.335790  -0.000000      0.000000  
1 1 1 -20 0  55 o 4.097856 1.964125  -0.3076569     0.4672811 -0.3758649E-01 0.6414281 -0.6130788     0.6821179 -0.000000      0.000000  
1 1 1 -20 0  56 o 27.03894 1.542559  7.423456       0.7814899 7.259124       0.9603688 7.745560       1.344545  -0.000000      0.000000  
1 1 1 -20 0  57 o 5.867545 4.015450  -0.6716913     1.412897  -0.6716913     1.412897  -0.6716913     1.412897  -0.000000      0.000000  
1 1 1 -20 0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 1  1  o 45.84313 0.6264824 21.01588       0.5743504 21.22939       0.8187482 20.80902       0.8059121 0.4583931      1.252965  
1 1 1 -20 1  2  o 85.97044 0.9629473 73.91962       1.655495  74.65051       2.363822  73.21603       2.319260  0.8337860      1.925895  
1 1 1 -20 1  3  o 153.5546 1.627247  235.8913       4.995685  232.4492       6.955680  239.5585       7.179569  -2.310760      3.254494  
1 1 1 -20 1  4  o 132.3550 1.717805  177.2223       4.370452  168.3402       7.165100  182.4850       5.515260  -5.374786      3.435609  
1 1 1 -20 1  5  o 190.3881 2.830761  363.0946       10.77155  355.9095       14.90783  370.9434       15.58100  -3.927063      5.661522  
1 1 1 -20 1  6  o 106.1039 1.632295  112.3124       3.454994  117.5198       5.110953  107.9301       4.688531  4.511391       3.264590  
1 1 1 -20 1  7  f 129.5481 1.711265  165.6951       4.099114  162.1203       4.907565  173.9445       7.454988  -4.516525      3.422530  
1 1 1 -20 1  8  o 194.8366 2.210957  379.9433       8.518587  378.5680       11.22656  381.8098       13.07862  -0.7872620     4.421913  
1 1 1 -20 1  9  o 106.0252 1.159182  112.2493       2.454379  108.8333       3.362202  116.1464       3.591129  -3.445862      2.318365  
1 1 1 -20 1  10 o 333.8599 4.266031  1122.373       26.90606  1125.392       33.04794  1116.436       46.33775  1.954010       8.532063  
1 1 1 -20 1  11 o 145.1797 2.185429  211.0632       6.345026  209.5372       8.902100  212.6390       9.046079  -1.064789      4.370859  
1 1 1 -20 1  12 o 64.83093 1.104330  41.88355       1.428116  39.91861       1.935855  44.22985       2.115387  -3.322792      2.208660  
1 1 1 -20 1  13 o 113.3855 1.742262  128.1450       3.937872  122.4402       5.314806  135.0886       5.863523  -5.566902      3.484525  
1 1 1 -20 1  14 o 203.0766 3.020057  413.5970       12.26580  415.6790       17.41667  411.5482       17.27709  1.012268       6.040115  
1 1 1 -20 1  15 o 181.4861 2.341078  330.2622       8.025247  329.0508       13.83674  330.8763       9.851524  -0.6093750     4.682155  
1 1 1 -20 1  16 o 50.87086 0.6729342 25.88081       0.6846322 26.07691       0.9730574 25.68856       0.9634464 0.3816261      1.345868  
1 1 1 -20 1  17 f 50.74277 0.6747077 25.74549       0.6846218 25.37624       0.9577940 26.13123       0.9789554 -0.7437630     1.349415  
1 1 1 -20 1  18 o 35.63023 0.6020011 12.69610       0.4289649 12.63495       0.6029276 12.75879       0.6104383 -0.1737251     1.204002  
1 1 1 -20 1  19 o 73.22609 0.8549513 53.62097       1.251851  52.92729       1.749535  54.34872       1.791999  -0.9700851     1.709903  
1 1 1 -20 1  20 o 102.9339 1.130698  105.9704       2.327073  107.5595       3.339680  104.4707       3.244347  1.498795       2.261397  
1 1 1 -20 1  21 o 100.1283 1.104252  100.1655       2.208857  103.2275       3.217083  97.43462       3.038179  2.889671       2.208505  
1 1 1 -20 1  22 o 67.15486 0.8098179 44.92820       1.084579  47.46703       1.609251  42.81522       1.468100  3.461670       1.619636  
1 1 1 -20 1  23 o 108.9275 1.190916  118.2906       2.586905  124.2728       3.839227  113.3160       3.500995  5.022690       2.381833  
1 1 1 -20 1  24 o 60.16787 0.7546830 36.19943       0.9079601 36.82285       1.300583  35.60674       1.268131  1.010162       1.509366  
1 1 1 -20 1  25 o 114.1262 1.242475  130.0281       2.830172  125.4507       3.856739  135.3693       4.166072  -4.337662      2.484951  
1 1 1 -20 1  26 o 93.14639 1.043197  86.80637       1.943146  87.70869       2.775385  85.93878       2.721455  0.9488297      2.086395  
1 1 1 -20 1  27 f 128.0902 1.381098  164.2470       3.537502  162.5904       4.948517  165.9783       5.058876  -1.318871      2.762195  
1 1 1 -20 1  28 o 173.2375 1.834675  300.4649       6.349765  308.8178       9.242057  292.9967       8.738899  4.542313       3.669350  
1 1 1 -20 1  29 o 71.90724 0.8528826 51.51068       1.222800  49.00165       1.652396  54.54799       1.818051  -3.852455      1.705765  
1 1 1 -20 1  30 o 91.00069 1.024262  82.86389       1.863702  84.02169       2.672082  81.76711       2.600713  1.236404       2.048525  
1 1 1 -20 1  31 o 81.13367 0.9356566 65.78268       1.516639  67.94629       2.207820  63.84942       2.086981  2.520935       1.871313  
1 1 1 -20 1  32 o 115.5884 1.262039  133.6446       2.914385  130.1453       4.010803  137.5591       4.242039  -3.196320      2.524077  
1 1 1 -20 1  33 o 74.39479 0.8787901 55.39454       1.307499  55.64360       1.858656  55.15055       1.839657  0.3306808      1.757580  
1 1 1 -20 1  34 o 95.58556 1.074246  90.99123       2.044945  86.31015       2.743629  96.84215       3.067353  -5.493546      2.148491  
1 1 1 -20 1  35 o 42.13857 0.6560198 17.74277       0.5524672 18.40662       0.8002396 17.13823       0.7636570 1.503891       1.312040  
1 1 1 -20 1  36 o 28.82091 0.6464409 8.271236       0.3717100 9.033059       0.5474935 7.619800       0.5062771 2.450449       1.292882  
1 1 1 -20 1  37 o 60.97449 0.7757784 37.14410       0.9448841 38.55441       1.378737  35.89510       1.297496  2.177296       1.551557  
1 1 1 -20 1  38 f 62.31733 0.7896325 38.64310       0.9805202 36.31178       1.319139  41.52143       1.465750  -4.173435      1.579265  
1 1 1 -20 1  39 o 28.17816 0.6849399 7.919158       0.3840165 6.853601       0.5275173 9.120450       0.5601097 -4.020967      1.369880  
1 1 1 -20 1  40 o 10.41079 1.273044  1.104148       0.2597829 1.091784       0.3687047 1.116338       0.3660862 -0.2783947     2.546088  
1 1 1 -20 1  41 o 8.101440 1.558079  0.6752344      0.2660402 0.4639648      0.3746940 0.8900221      0.3778007 -2.259309      3.116158  
1 1 1 -20 1  42 o 16.12154 0.9018332 2.603746       0.2907736 2.625786       0.4122264 2.581921       0.4102128 0.1358967      1.803666  
1 1 1 -20 1  43 o 51.08811 0.7311650 25.95971       0.7440657 28.07156       1.115222  24.26544       0.9988974 3.717754       1.462330  
1 1 1 -20 1  44 o 27.18869 0.7211197 7.390778       0.3917061 7.885647       0.5656467 6.934805       0.5429616 1.747040       1.442239  
1 1 1 -20 1  45 o 61.35471 0.8035190 37.40184       0.9810470 40.85841       1.480952  34.69881       1.309614  5.005314       1.607038  
1 1 1 -20 1  46 o 30.90806 0.7044994 9.561642       0.4353117 9.187559       0.6078607 9.955464       0.6236921 -1.241026      1.408999  
1 1 1 -20 1  47 o 16.89193 0.9587705 2.861272       0.3236960 2.719811       0.4536216 3.008037       0.4620451 -0.8521976     1.917541  
1 1 1 -20 1  48 o 15.37591 1.055432  2.394502       0.3186365 1.852465       0.4461291 2.958927       0.4552495 -3.596829      2.110863  
1 1 1 -20 1  49 f 52.73767 0.7643276 27.87269       0.8061305 27.68962       1.132697  28.06060       1.147529  -0.3501930     1.528655  
1 1 1 -20 1  50 o 12.90675 1.240978  1.676124       0.3202327 1.673380       0.4586335 1.678734       0.4473329 -0.2271748E-01 2.481956  
1 1 1 -20 1  51 o 48.95564 0.7589064 24.02292       0.7430410 23.88061       1.046939  24.16736       1.054742  -0.2919884     1.517813  
1 1 1 -20 1  52 o 22.09929 0.8831917 4.896169       0.3877040 4.158864       0.5362219 5.703833       0.5612248 -3.491995      1.766383  
1 1 1 -20 1  53 o 25.89602 0.8175541 6.728858       0.4233533 6.695699       0.6035632 6.760973       0.5939757 -0.1274071     1.635108  
1 1 1 -20 1  54 o 37.72965 0.7720529 14.26935       0.5823977 13.80696       0.8130450 14.75663       0.8346492 -1.255562      1.544106  
1 1 1 -20 1  55 o 31.40851 0.8601689 9.997939       0.5337700 9.185018       0.8000174 10.65014       0.7165847 -2.345951      1.720338  
1 1 1 -20 1  56 o 37.69099 1.047495  14.13711       0.7757440 15.11427       1.233836  13.49834       0.9975781 2.094074       2.094989  
1 1 1 -20 1  57 o 30.77509 1.677292  9.555315       1.032376  9.555315       1.032376  ?              ?         ?              ?         
1 1 1 -20 1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 2  1  o 65.12045 1.279544  0.000000       0.000000  ?              ?         42.41850       1.666490  ?              ?         
1 1 1 -20 2  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 2  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 2  4  o 82.44427 1.141330  67.22449       1.752124  65.92136       2.111115  70.10906       3.140934  -2.526588      2.282661  
1 1 1 -20 2  5  o 108.4234 1.178163  117.4689       2.552415  114.5828       3.519084  120.6725       3.707609  -2.805809      2.356326  
1 1 1 -20 2  6  o 195.6043 2.053426  383.0547       8.032047  386.6993       11.47478  379.5536       11.24671  1.821365       4.106851  
1 1 1 -20 2  7  o 152.3158 1.617013  231.8170       4.919472  239.1589       7.181628  225.3263       6.752550  4.533096       3.234027  
1 1 1 -20 2  8  o 189.2724 1.990674  358.6728       7.535406  357.1701       10.61186  360.2011       10.70205  -0.7987061     3.981348  
1 1 1 -20 2  9  f 218.8351 2.291902  479.6743       10.03097  479.6389       14.18786  479.7096       14.18400  -0.1626587E-01 4.583804  
1 1 1 -20 2  10 o 73.98708 0.8616514 54.73043       1.274687  55.74283       1.828503  53.77327       1.777920  1.330536       1.723303  
1 1 1 -20 2  11 o 192.4024 2.021812  370.3203       7.773944  362.4998       10.74257  378.9183       11.26399  -4.254959      4.043624  
1 1 1 -20 2  12 o 94.67616 1.049766  89.41550       1.983519  86.04031       2.700621  93.36882       2.922769  -3.867683      2.099531  
1 1 1 -20 2  13 o 118.6215 1.280538  140.7845       3.037984  140.9196       4.301000  140.6500       4.291730  0.1134949      2.561077  
1 1 1 -20 2  14 o 199.0641 2.574058  394.8887       9.570006  390.9440       11.58815  403.3494       16.97116  -2.958740      5.148115  
1 1 1 -20 2  15 o 104.0737 1.616567  107.7555       3.349125  114.9208       5.038730  102.0844       4.482645  6.156387       3.233134  
1 1 1 -20 2  16 o 187.1982 2.792132  351.1053       10.44687  344.6277       14.46696  358.1637       15.10169  -3.594055      5.584264  
1 1 1 -20 2  17 o 170.8168 2.556121  292.4513       8.732428  293.4538       12.39173  291.4623       12.30774  0.5802460      5.112241  
1 1 1 -20 2  18 o 60.45020 1.072431  36.55789       1.296546  36.56646       1.827789  36.54922       1.839454  0.1441574E-01  2.144863  
1 1 1 -20 2  19 o 183.7405 2.377162  337.6827       8.208282  340.3315       14.33667  336.3910       10.01159  0.9310913      4.754323  
1 1 1 -20 2  20 o 32.25327 0.6158949 10.39569       0.3970127 9.860901       0.5534852 10.96246       0.5697913 -1.707516      1.231790  
1 1 1 -20 2  21 f 29.87583 0.6209973 8.907862       0.3706363 9.477755       0.5380009 8.393065       0.5113330 1.815069       1.241995  
1 1 1 -20 2  22 o 149.4188 1.590718  223.1174       4.746562  230.5110       6.944019  216.6333       6.502972  4.632538       3.181437  
1 1 1 -20 2  23 o 26.21074 0.6246443 6.866433       0.3273219 7.123003       0.4696757 6.624146       0.4564152 0.9514885      1.249289  
1 1 1 -20 2  24 o 143.5645 1.532577  205.5521       4.386127  215.9776       6.526629  196.9657       5.923044  6.604218       3.065155  
1 1 1 -20 2  25 o 63.25634 0.7772813 39.93123       0.9818068 41.70373       1.438716  38.38633       1.343172  2.620647       1.554563  
1 1 1 -20 2  26 f 118.2148 1.282654  139.7336       3.029810  143.4631       4.399383  136.3689       4.178724  2.994209       2.565309  
1 1 1 -20 2  27 o 87.96674 0.9937722 77.41605       1.748090  76.52222       2.445427  78.35008       2.499817  -1.037651      1.987544  
1 1 1 -20 2  28 o 109.8700 1.202409  120.7779       2.641016  118.6783       3.670029  123.0328       3.803467  -1.977386      2.404817  
1 1 1 -20 2  29 o 54.18389 0.7142514 29.18717       0.7710635 31.47662       1.153792  27.33951       1.036509  3.815147       1.428503  
1 1 1 -20 2  30 o 57.29142 0.7373290 32.58826       0.8409094 30.34007       1.124711  35.43807       1.266290  -4.445766      1.474658  
1 1 1 -20 2  31 o 122.1684 1.324880  149.4985       3.237077  150.1882       4.598752  148.8212       4.557365  0.5576019      2.649760  
1 1 1 -20 2  32 o 22.16278 0.6736757 4.890695       0.2965892 5.751445       0.4349802 4.142827       0.4054555 3.628357       1.347351  
1 1 1 -20 2  33 o 68.82091 0.8333344 47.19718       1.143561  44.89293       1.545932  49.98170       1.699422  -3.691612      1.666669  
1 1 1 -20 2  34 o 54.28938 0.7218031 29.49288       0.7837184 29.32681       1.107130  29.65970       1.109564  -0.3065109     1.443606  
1 1 1 -20 2  35 o 70.66350 0.8510476 49.75779       1.199241  47.19032       1.621975  52.85389       1.781143  -4.000984      1.702095  
1 1 1 -20 2  36 o 57.30636 0.7497629 32.84264       0.8589026 33.61690       1.238566  32.12537       1.192109  1.299587       1.499526  
1 1 1 -20 2  37 o 41.21140 0.6603700 16.89816       0.5427366 15.50012       0.7365679 18.55890       0.8027921 -3.708721      1.320740  
1 1 1 -20 2  38 o 76.38451 0.9061645 58.31516       1.382483  60.42136       2.019562  56.45784       1.896489  2.588127       1.812329  
1 1 1 -20 2  39 o 25.70978 0.9505067 6.621685       0.4883621 6.285363       0.6872942 6.964654       0.6940521 -1.320669      1.901013  
1 1 1 -20 2  40 o 29.58870 0.6661707 8.747412       0.3938078 8.223152       0.5452246 9.319230       0.5694195 -1.851059      1.332341  
1 1 1 -20 2  41 o 65.50211 0.8311710 42.95288       1.088650  42.38145       1.521137  43.55290       1.558718  -0.8919754     1.662342  
1 1 1 -20 2  42 o 16.89602 0.8553400 2.876148       0.2853961 2.329140       0.3998746 3.444090       0.4074543 -3.298927      1.710680  
1 1 1 -20 2  43 o 10.14114 1.371861  1.067180       0.2679646 1.154732       0.3839319 0.9840215      0.3741749 0.8439426      2.743721  
1 1 1 -20 2  44 o 14.46331 1.004178  2.097611       0.2904725 2.106941       0.4116650 2.088361       0.4099208 0.6406116E-01  2.008355  
1 1 1 -20 2  45 o 39.23108 0.6926858 15.40966       0.5434329 15.73556       0.7741071 15.09299       0.7630721 0.8181534      1.385372  
1 1 1 -20 2  46 o 74.27936 0.9072400 55.27707       1.347102  56.46345       1.942945  54.17884       1.869364  1.530525       1.814480  
1 1 1 -20 2  47 o 26.34371 0.7478071 6.939229       0.3932499 6.359904       0.5441881 7.572393       0.5689142 -2.299091      1.495614  
1 1 1 -20 2  48 o 10.11782 1.531747  1.069955       0.3012251 1.215474       0.4329419 0.9334143      0.4193752 1.375290       3.063495  
1 1 1 -20 2  49 o 31.93752 0.7332324 10.17714       0.4672292 9.302687       0.6388688 11.18266       0.6850719 -2.938608      1.466465  
1 1 1 -20 2  50 o 31.80588 0.7438571 10.13487       0.4730408 9.794950       0.6626074 10.48818       0.6755416 -1.088423      1.487714  
1 1 1 -20 2  51 o 38.41497 0.7374704 14.64488       0.5637588 16.67142       0.8453982 13.02199       0.7565337 4.740395       1.474941  
1 1 1 -20 2  52 o 44.78233 0.7514499 20.10667       0.6729724 19.74995       0.9497185 20.46642       0.9537476 -0.7994537     1.502900  
1 1 1 -20 2  53 o 51.79109 0.7918364 26.77101       0.8178009 28.69798       1.214727  25.17357       1.105995  3.387371       1.583673  
1 1 1 -20 2  54 o 22.79926 0.8866957 5.218544       0.4040646 4.974315       0.5679945 5.468781       0.5749359 -1.083296      1.773391  
1 1 1 -20 2  55 o 79.66011 1.066692  63.78124       1.679110  64.29514       2.586553  63.40694       2.207485  0.4799347      2.133385  
1 1 1 -20 2  56 o 11.39409 1.917433  1.355980       0.4620542 0.7195127      0.6535233 1.992136       0.6533632 -5.224227      3.834865  
1 1 1 -20 2  57 o 44.09329 1.339477  19.60458       1.122876  19.47567       1.385755  19.85105       1.916115  -0.2687073     2.678953  
1 1 1 -20 2  58 f 12.91806 4.557578  1.618039       1.470565  1.618039       1.470565  ?              ?         ?              ?         
1 1 1 -20 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 3  1  o 80.89528 1.111333  65.57162       1.706664  65.79731       2.106848  65.14085       2.910644  0.4166336      2.222667  
1 1 1 -20 3  2  o 165.3705 1.747466  273.3022       5.771518  281.9745       8.433452  265.6624       7.915469  4.921143       3.494932  
1 1 1 -20 3  3  o 147.9519 1.571408  219.0772       4.649855  219.1875       6.580256  218.9671       6.571528  0.7432556E-01  3.142816  
1 1 1 -20 3  4  o 170.3898 1.797425  290.6021       6.124686  292.8169       8.733280  288.4586       8.591684  1.275970       3.594850  
1 1 1 -20 3  5  o 152.0115 1.612341  231.2277       4.901176  233.5807       7.003531  228.9693       6.861279  1.514175       3.224683  
1 1 1 -20 3  6  f 147.0317 1.561848  215.9519       4.585721  223.2201       6.712752  209.5919       6.279302  4.626755       3.123697  
1 1 1 -20 3  7  o 297.1717 4.397781  888.2341       26.12952  876.5245       36.40668  900.6736       37.52411  -4.007751      8.795563  
1 1 1 -20 3  8  o 210.2484 2.207682  442.6403       9.281347  446.9074       13.28434  438.5710       12.97282  1.974777       4.415365  
1 1 1 -20 3  9  o 229.8055 2.404439  528.7363       11.04500  519.3867       15.31928  538.8575       15.93913  -4.219589      4.808877  
1 1 1 -20 3  10 o 255.3852 2.667665  653.4534       13.62133  662.9037       19.56030  644.5559       18.97976  3.574692       5.335330  
1 1 1 -20 3  11 f 119.2778 1.288261  142.0949       3.068813  146.8573       4.486774  137.9085       4.206669  3.747124       2.576522  
1 1 1 -20 3  12 o 79.71944 0.9092132 63.44701       1.447480  61.46674       1.982812  65.70641       2.117956  -2.657715      1.818426  
1 1 1 -20 3  13 o 174.2903 1.838019  304.0819       6.406534  306.1735       9.125146  302.0489       8.996636  1.180527       3.676039  
1 1 1 -20 3  14 o 82.26326 0.9335996 67.64766       1.535269  69.05186       2.213500  66.34589       2.131232  1.643806       1.867199  
1 1 1 -20 3  15 o 177.9482 1.875643  317.0353       6.675342  317.0346       9.436706  317.0362       9.444018  -0.2899170E-03 3.751286  
1 1 1 -20 3  16 f 152.6049 1.619549  232.4023       4.930647  223.8871       6.695136  242.4939       7.288580  -6.084442      3.239099  
1 1 1 -20 3  17 o 100.3101 1.105053  100.6660       2.216956  100.5026       3.132671  100.8300       3.137836  -0.1631241     2.210105  
1 1 1 -20 3  18 o 88.85447 1.233336  77.81483       2.020977  76.01412       2.413574  82.03930       3.696782  -3.369125      2.466673  
1 1 1 -20 3  19 o 110.8655 1.482637  123.0648       3.097473  123.1486       3.792039  122.8969       5.369444  0.1470795      2.965275  
1 1 1 -20 3  20 o 128.0146 1.951356  163.9984       4.992239  160.5230       6.900479  167.8151       7.231319  -2.838203      3.902713  
1 1 1 -20 3  21 o 95.10451 1.501163  90.17844       2.846549  94.98039       4.230909  86.20720       3.847593  4.603218       3.002326  
1 1 1 -20 3  22 o 102.4796 1.601158  105.0138       3.278502  102.3284       4.517394  108.0024       4.765556  -2.761787      3.202316  
1 1 1 -20 3  23 f 114.4494 1.764977  130.8955       4.032849  135.9246       5.919517  126.5395       5.509186  4.087379       3.529955  
1 1 1 -20 3  24 o 33.75232 0.7815995 11.41183       0.4896289 11.35360       0.8730198 11.43855       0.5913958 -0.1300774     1.563199  
1 1 1 -20 3  25 o 163.5192 1.735926  267.6798       5.673630  273.1926       8.198385  262.6131       7.859772  3.222275       3.471852  
1 1 1 -20 3  26 o 112.4909 1.227230  126.6659       2.761041  126.8073       3.908662  126.5251       3.900753  0.1251984      2.454460  
1 1 1 -20 3  27 o 88.12106 0.9954575 77.50662       1.750876  80.73865       2.576725  74.73433       2.386436  3.402138       1.990915  
1 1 1 -20 3  28 o 36.98822 0.6227867 13.62120       0.4595934 12.50285       0.6268141 14.92150       0.6758822 -3.268627      1.245573  
1 1 1 -20 3  29 o 34.68151 0.6153470 12.01775       0.4265392 12.42889       0.6171217 11.64169       0.5902128 1.134384       1.230694  
1 1 1 -20 3  30 f 106.9893 1.176427  114.4788       2.514865  117.5956       3.654575  111.6754       3.466024  2.759346       2.352854  
1 1 1 -20 3  31 o 109.9272 1.206133  120.5957       2.644426  126.3991       3.918793  115.7436       3.583257  4.832535       2.412265  
1 1 1 -20 3  32 o 19.23328 0.7232676 3.700087       0.2781407 3.823770       0.3970313 3.580887       0.3897698 0.6312065      1.446535  
1 1 1 -20 3  33 o 67.36165 0.8201342 45.33492       1.103584  46.96974       1.609464  43.88420       1.516123  2.286903       1.640268  
1 1 1 -20 3  34 o 16.51206 0.7979417 2.723738       0.2632476 2.893068       0.3810862 2.569189       0.3640729 0.9801140      1.595883  
1 1 1 -20 3  35 o 65.94940 0.8120295 43.52599       1.070973  42.98588       1.503298  44.08264       1.526130  -0.8306198     1.624059  
1 1 1 -20 3  36 o 53.67702 0.7260417 28.56643       0.7752389 26.32140       1.032906  31.46245       1.173141  -4.783573      1.452083  
1 1 1 -20 3  37 o 54.41771 0.7304416 29.57088       0.7938561 30.86058       1.161046  28.43859       1.087886  2.222458       1.460883  
1 1 1 -20 3  38 o 35.86239 0.6544311 12.86464       0.4692417 13.07921       0.6739269 12.66273       0.6537490 0.5798988      1.308862  
1 1 1 -20 3  39 o 21.51899 0.7508543 4.577339       0.3185920 5.800624       0.4781691 3.600780       0.4272351 5.108910       1.501709  
1 1 1 -20 3  40 o 13.31767 0.9971558 1.777154       0.2653826 1.872723       0.3777203 1.683989       0.3729408 0.7082481      1.994312  
1 1 1 -20 3  41 o 9.453610 1.654055  0.8327978      0.3773875 0.4133331E-01  0.5288808 1.653823       0.5386668 -6.754502      3.308110  
1 1 1 -20 3  42 f 26.97937 0.7002208 7.283594       0.3777195 7.431903       0.5422810 7.143832       0.5264239 0.5329609      1.400442  
1 1 1 -20 3  43 o 45.79470 0.7022065 20.97610       0.6427550 21.59858       0.9290592 20.40464       0.8901730 1.301159       1.404413  
1 1 1 -20 3  44 o 48.16282 0.7169418 23.22958       0.6905839 23.28764       0.9803392 23.17238       0.9729688 0.1191368      1.433884  
1 1 1 -20 3  45 o 72.25572 0.8881305 52.31146       1.283118  53.16557       1.840271  51.50340       1.789982  1.145508       1.776261  
1 1 1 -20 3  46 o 19.09078 0.8860316 3.650671       0.3376590 3.971822       0.4850176 3.348634       0.4703635 1.630724       1.772063  
1 1 1 -20 3  47 o 103.7312 1.173026  108.0639       2.432822  109.7294       3.493729  106.4962       3.389689  1.543709       2.346052  
1 1 1 -20 3  48 o 61.45530 0.8189582 37.64715       1.003152  35.36258       1.352045  40.44495       1.496228  -4.119602      1.637916  
1 1 1 -20 3  49 o 14.32260 1.120063  2.062526       0.3200950 2.244719       0.4560271 1.885582       0.4494108 1.252738       2.240127  
1 1 1 -20 3  50 o 19.45809 0.9507341 3.798817       0.3609895 2.765076       0.4925687 4.998263       0.5305806 -5.733374      1.901468  
1 1 1 -20 3  51 o 54.20488 0.7902149 29.40865       0.8557951 30.54990       1.245211  28.38705       1.178128  1.987221       1.580430  
1 1 1 -20 3  52 f 51.40431 0.7818149 26.46947       0.8030776 27.19776       1.165416  25.81096       1.108190  1.341488       1.563630  
1 1 1 -20 3  53 f 10.75961 1.718130  1.208062       0.3573378 1.304235       0.5540110 1.139548       0.4676085 0.7104826      3.436260  
1 1 1 -20 3  54 o 29.88905 0.9723086 8.886760       0.5499211 9.252082       0.9544960 8.705246       0.6728076 0.8661575      1.944617  
1 1 1 -20 3  55 o 32.78348 1.099496  10.80855       0.7184153 9.625552       0.9978047 12.08191       1.035213  -3.738338      2.198992  
1 1 1 -20 3  56 o 30.59068 1.128689  9.421836       0.6903344 9.746546       0.9880775 9.112183       0.9648957 1.031517       2.257377  
1 1 1 -20 3  57 o 29.41804 1.449054  8.929972       0.8096820 9.327470       1.012388  8.224413       1.348795  1.981049       2.898108  
1 1 1 -20 3  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 4  1  o 66.47367 0.7859400 43.65780       1.036209  48.32980       1.595545  40.24995       1.362691  6.075104       1.571880  
1 1 1 -20 4  2  o 90.88577 1.008669  82.61008       1.833087  83.65069       2.625005  81.61965       2.560935  1.116554       2.017337  
1 1 1 -20 4  3  o 85.31006 0.9584025 72.51080       1.630179  69.33150       2.203409  76.35555       2.423055  -4.114197      1.916805  
1 1 1 -20 4  4  o 121.8137 1.311836  148.4367       3.195459  146.6183       4.469612  150.3379       4.570190  -1.525162      2.623673  
1 1 1 -20 4  5  o 102.9707 1.128775  105.4386       2.313618  99.94991       3.095865  112.3817       3.481959  -6.031410      2.257551  
1 1 1 -20 4  6  o 101.1588 1.107859  102.2617       2.239508  104.9533       3.248553  99.82388       3.091562  2.533318       2.215717  
1 1 1 -20 4  7  o 104.3932 1.140472  108.6422       2.374698  114.0361       3.518200  104.1284       3.218445  4.741402       2.280945  
1 1 1 -20 4  8  o 43.40667 0.6206682 18.49758       0.5335663 21.51516       0.8274078 16.34940       0.6981143 5.949501       1.241336  
1 1 1 -20 4  9  o 111.0042 1.397814  123.2984       3.103264  123.2331       4.391088  123.3634       4.386271  -0.5877686E-01 2.795629  
1 1 1 -20 4  10 o 109.3870 1.188873  119.6470       2.599861  121.8159       3.742530  117.6241       3.614336  1.914261       2.377746  
1 1 1 -20 4  11 f 22.74179 0.6163265 5.175956       0.2801262 5.368756       0.3945453 4.979970       0.3977914 0.8548088      1.232653  
1 1 1 -20 4  12 f 54.48416 0.6969512 29.45663       0.7556926 27.45158       1.009161  32.01628       1.140221  -4.187939      1.393902  
1 1 1 -20 4  13 o 156.6551 1.660005  245.6030       5.200348  243.5118       7.287507  247.7727       7.423174  -1.357254      3.320010  
1 1 1 -20 4  14 o 67.21833 0.8007863 44.72752       1.068937  41.50315       1.413120  49.04019       1.634294  -5.604218      1.601573  
1 1 1 -20 4  15 o 48.50730 0.6571764 23.47576       0.6366770 24.63833       0.9307655 22.45344       0.8728198 2.251652       1.314353  
1 1 1 -20 4  16 o 22.28065 0.6259171 4.964431       0.2788098 4.984804       0.4002543 4.945228       0.3885972 0.8871460E-01  1.251834  
1 1 1 -20 4  17 o 104.3577 1.143522  108.9520       2.386555  109.6918       3.398182  108.2320       3.352478  0.6987305      2.287044  
1 1 1 -20 4  18 o 144.7152 1.541788  209.3458       4.457332  204.0317       6.130951  215.3039       6.491750  -3.886505      3.083576  
1 1 1 -20 4  19 f 203.7936 2.140531  416.1406       8.724499  415.4495       12.31803  416.8361       12.35868  -0.3388672     4.281062  
1 1 1 -20 4  20 o 165.2203 1.749589  273.1550       5.777710  268.1256       8.003159  278.6294       8.349688  -3.169098      3.499177  
1 1 1 -20 4  21 o 119.7756 1.295026  143.5680       3.102157  142.9533       4.366948  144.1941       4.407558  -0.5170746     2.590052  
1 1 1 -20 4  22 o 37.98271 0.6212415 14.15187       0.4672892 16.66568       0.7237073 12.35448       0.6119546 5.674019       1.242483  
1 1 1 -20 4  23 o 114.5254 1.520187  132.5338       3.328695  135.5981       4.164695  127.1137       5.538789  3.742996       3.040374  
1 1 1 -20 4  24 o 93.92359 1.298012  86.86912       2.245169  84.71696       2.677450  91.96724       4.120874  -3.821075      2.596023  
1 1 1 -20 4  25 f 81.88683 1.337129  67.10054       2.189138  66.02119       3.048688  68.24947       3.145394  -1.357681      2.674257  
1 1 1 -20 4  26 o 22.40993 1.013254  4.925000       0.4450781 6.544914       0.6792898 3.706439       0.5891593 6.330914       2.026508  
1 1 1 -20 4  27 o 64.55336 1.133416  41.66119       1.461931  42.81048       2.123925  40.62644       2.015312  1.688408       2.266832  
1 1 1 -20 4  28 f 128.7794 1.973595  166.3600       5.082654  167.7124       7.249755  165.0528       7.127717  1.025528       3.947189  
1 1 1 -20 4  29 o 59.10658 0.9327252 34.78698       1.028358  35.45229       1.827291  34.47858       1.244069  0.8063660      1.865450  
1 1 1 -20 4  30 o 105.0958 1.437723  108.6301       2.774624  115.8000       5.126266  105.6592       3.299755  4.736946       2.875446  
1 1 1 -20 4  31 o 59.97667 0.7605318 35.99298       0.9122282 36.02159       1.297473  35.96502       1.282823  0.4675674E-01  1.521064  
1 1 1 -20 4  32 o 122.5364 1.330726  150.1758       3.256130  155.3887       4.768010  145.6199       4.457393  3.968872       2.661453  
1 1 1 -20 4  33 o 10.33645 1.210773  1.089334       0.2371191 1.523489       0.3510373 0.7250059      0.3215709 3.997228       2.421546  
1 1 1 -20 4  34 o 37.36104 0.6427079 13.96476       0.4802068 13.71967       0.6758357 14.21466       0.6824424 -0.6622391     1.285416  
1 1 1 -20 4  35 o 14.11358 0.9111676 2.007294       0.2536418 1.608414       0.3553796 2.421455       0.3621227 -2.880047      1.822335  
1 1 1 -20 4  36 o 38.36533 0.6511012 14.72467       0.4994773 14.88982       0.7156116 14.56779       0.6974727 0.4190712      1.302202  
1 1 1 -20 4  37 o 63.13293 0.7978787 39.50736       1.001480  36.45531       1.330661  43.49473       1.520950  -5.566685      1.595757  
1 1 1 -20 4  38 o 60.86474 1.086564  36.53296       1.308457  41.08921       2.040646  33.35186       1.705106  6.334263       2.173129  
1 1 1 -20 4  39 o 31.78019 0.6676074 10.07014       0.4227284 8.903710       0.5802256 11.38969       0.6171366 -3.909529      1.335215  
1 1 1 -20 4  40 o 67.09799 0.8342578 44.90277       1.116448  47.44658       1.655518  42.78084       1.512014  3.468422       1.668516  
1 1 1 -20 4  41 o 46.12649 1.011057  21.32011       0.9326549 21.61370       1.329026  21.03524       1.309146  0.6254959      2.022113  
1 1 1 -20 4  42 o 54.85343 0.7516634 29.80188       0.8191080 32.96488       1.249954  27.42128       1.084395  5.042671       1.503327  
1 1 1 -20 4  43 o 59.35323 0.7873442 35.27689       0.9344891 35.69093       1.335647  34.87987       1.307923  0.6812592      1.574688  
1 1 1 -20 4  44 o 39.61359 0.6972995 15.71263       0.5523658 15.80814       0.7890944 15.62087       0.7734665 0.2352562      1.394599  
1 1 1 -20 4  45 o 61.98383 0.8108848 38.47613       1.004897  39.22219       1.444180  37.77584       1.399167  1.162842       1.621770  
1 1 1 -20 4  46 o 76.28397 0.9262150 58.23936       1.411085  60.40526       2.063598  56.33723       1.933866  2.652672       1.852430  
1 1 1 -20 4  47 o 38.70827 0.7279094 15.01477       0.5633002 14.52639       0.7965169 15.50343       0.7967367 -1.262035      1.455819  
1 1 1 -20 4  48 o 37.23603 0.8834165 13.91928       0.6225609 13.86397       1.068897  13.94767       0.7658719 -0.1474075     1.766833  
1 1 1 -20 4  49 o 7.840961 1.903672  0.4519397      0.3872978 0.5589896E-01  0.5164910 0.9607119      0.5854024 -3.615708      3.807343  
1 1 1 -20 4  50 o 24.54952 1.105868  6.057395       0.5423884 6.051167       0.7851983 6.063080       0.7501101 -0.2990532E-01 2.211736  
1 1 1 -20 4  51 o 21.11694 1.212216  4.472535       0.5111202 4.805359       0.7472908 4.179977       0.7006296 1.472221       2.424433  
1 1 1 -20 4  52 o 5.240653 1.686360  -0.3419711     0.3883986 -0.3998180     0.5348398 -0.2774267     0.5649536 -0.4322767     3.372720  
1 1 1 -20 4  53 o 8.611189 1.963743  0.7072470      0.3748945 0.6011016      0.4722741 0.8880814      0.6164308 -1.506497      3.927487  
1 1 1 -20 4  54 o 23.16350 1.026981  5.415813       0.4735402 5.118886       0.6919696 5.677353       0.6494271 -1.213413      2.053962  
1 1 1 -20 4  55 o 35.91720 0.9873235 13.05209       0.6930888 12.57249       1.092887  13.37474       0.8964085 -1.154846      1.974647  
1 1 1 -20 4  56 o 18.17894 1.532450  3.400153       0.5446225 2.590216       0.7711327 4.206236       0.7692958 -4.445334      3.064900  
1 1 1 -20 4  57 o 11.38175 2.196038  1.378332       0.5128694 1.387168       0.6983866 1.367989       0.7556012 0.5883312E-01  4.392076  
1 1 1 -20 4  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 5  1  o 120.9669 1.301095  146.4142       3.147555  147.5383       4.484492  145.3228       4.418862  0.9145126      2.602190  
1 1 1 -20 5  2  o 88.30695 0.9910541 77.57702       1.741982  82.26897       2.621095  73.86507       2.331351  4.754471       1.982108  
1 1 1 -20 5  3  o 190.5268 2.003219  363.5285       7.633156  361.8022       10.74956  365.2842       10.84084  -0.9113922     4.006439  
1 1 1 -20 5  4  o 91.60591 1.015341  83.72945       1.856556  87.28075       2.731236  80.67909       2.531284  3.600716       2.030681  
1 1 1 -20 5  5  o 56.93039 0.7067541 32.24117       0.8018328 30.45088       1.079637  34.44337       1.197412  -3.505428      1.413508  
1 1 1 -20 5  6  o 204.2130 2.141768  417.1193       8.737256  406.5664       12.01292  428.9715       12.73102  -5.466843      4.283537  
1 1 1 -20 5  7  f 158.8735 1.681526  252.2058       5.335126  260.5254       7.803222  244.9030       7.310840  4.906555       3.363051  
1 1 1 -20 5  8  o 121.5321 1.309766  147.6508       3.181182  151.1448       4.607451  144.4677       4.397622  2.743729       2.619532  
1 1 1 -20 5  9  o 129.7545 1.389922  168.2962       3.603883  172.5650       5.228345  164.4318       4.974450  3.129791       2.779843  
1 1 1 -20 5  10 o 219.4664 2.299100  482.4432       10.08990  477.8055       14.11948  487.2831       14.42394  -2.150696      4.598201  
1 1 1 -20 5  11 o 106.0909 1.650679  112.2881       3.493183  107.8662       4.737405  117.5571       5.171272  -4.558495      3.301358  
1 1 1 -20 5  12 o 257.5441 2.690492  664.9830       13.85840  664.5032       19.58713  665.4641       19.61037  -0.1857605     5.380983  
1 1 1 -20 5  13 o 327.6077 3.416723  1077.693       22.38536  1070.762       31.43821  1084.822       31.88182  -2.126556      6.833447  
1 1 1 -20 5  14 o 91.04452 1.020331  82.47890       1.850211  87.62814       2.773130  78.34780       2.483888  5.092728       2.040662  
1 1 1 -20 5  15 o 189.5838 1.994612  359.9691       7.562916  360.2702       10.70453  359.6690       10.68665  0.1580505      3.989225  
1 1 1 -20 5  16 o 95.43855 1.057649  90.96910       2.016151  94.05450       2.944006  88.24399       2.766776  3.041451       2.115299  
1 1 1 -20 5  17 o 67.26832 0.8037505 45.16163       1.079742  43.49178       1.478746  47.06868       1.580278  -2.657455      1.607501  
1 1 1 -20 5  18 f 51.06277 0.6816756 25.57726       0.6882303 29.48590       1.077282  22.88191       0.8945905 6.464607       1.363351  
1 1 1 -20 5  19 f 224.5432 2.353720  505.2624       10.56679  498.3458       14.72062  512.6147       15.17724  -3.160202      4.707440  
1 1 1 -20 5  20 f 83.34407 0.9484721 69.39569       1.579378  67.49160       2.174880  71.52017       2.297300  -2.414932      1.896944  
1 1 1 -20 5  21 o 99.89477 1.102502  99.58215       2.198031  95.99639       2.993564  103.7767       3.237746  -3.889648      2.205004  
1 1 1 -20 5  22 f 179.8015 1.898637  323.7549       6.824957  328.9808       9.815714  318.8638       9.496111  2.802017       3.797274  
1 1 1 -20 5  23 o 167.5793 1.774489  281.2860       5.946338  278.3696       8.317704  284.3345       8.504179  -1.772903      3.548978  
1 1 1 -20 5  24 f 102.2785 1.130461  104.6916       2.312413  104.9292       3.279114  104.4566       3.261448  0.2305603      2.260922  
1 1 1 -20 5  25 o 151.8220 1.616577  230.8173       4.907187  227.6778       6.840630  234.1457       7.043434  -2.122391      3.233154  
1 1 1 -20 5  26 f 111.7555 1.220869  125.0274       2.728771  125.1784       3.862710  124.8770       3.855432  0.1346130      2.441737  
1 1 1 -20 5  27 o 70.30531 0.8394887 49.08860       1.174344  53.00341       1.773580  46.03238       1.567073  4.952751       1.678977  
1 1 1 -20 5  28 o 115.2781 1.256803  133.0424       2.897039  134.6982       4.148084  131.4656       4.047820  1.398125       2.513606  
1 1 1 -20 5  29 o 42.16151 0.8036327 18.19119       0.6457176 19.25307       0.8131236 16.37826       1.062453  3.415825       1.607265  
1 1 1 -20 5  30 o 63.85308 0.9850882 38.99274       1.129617  36.87296       1.315310  44.95063       2.205100  -6.295006      1.970176  
1 1 1 -20 5  31 f 58.18969 1.080734  33.75160       1.254098  35.86933       1.862315  31.99441       1.696397  3.322540       2.161468  
1 1 1 -20 5  32 o 72.11285 1.230991  51.92407       1.771168  54.57099       2.617036  49.68705       2.405885  3.374924       2.461981  
1 1 1 -20 5  33 o 17.67039 1.182613  3.113146       0.4143024 3.730922       0.6081609 2.578170       0.5659391 3.259562       2.365225  
1 1 1 -20 5  34 o 34.43102 0.9444513 11.69232       0.6453701 13.78563       0.9812178 10.09631       0.8567702 5.351912       1.888903  
1 1 1 -20 5  35 o 32.16390 0.9564598 10.35201       0.6147365 10.51781       0.8909249 10.20135       0.8493051 0.4899025      1.912920  
1 1 1 -20 5  36 o 21.08553 0.9356495 4.261336       0.3580266 4.905444       0.6864634 4.020660       0.4196186 2.084692       1.871299  
1 1 1 -20 5  37 o 34.01653 1.224472  0.000000       0.000000  ?              ?         11.58520       0.8330458 ?              ?         
1 1 1 -20 5  38 o 53.65409 0.7928016 28.70795       0.8370681 29.43759       1.313845  28.20941       1.086015  1.133076       1.585603  
1 1 1 -20 5  39 o 54.82376 0.7466184 29.96161       0.8164532 31.81389       1.210052  28.41362       1.106202  3.095650       1.493237  
1 1 1 -20 5  40 o 80.07603 0.9429638 64.23173       1.510054  64.58229       2.151552  63.89141       2.119877  0.4292679      1.885928  
1 1 1 -20 5  41 f 35.98675 0.7615649 12.71418       0.5307583 13.95819       0.8842183 12.01348       0.6636078 2.688538       1.523130  
1 1 1 -20 5  42 o 41.78477 0.8342274 17.37776       0.6563448 17.81849       1.146874  17.16312       0.8003706 0.7597198      1.668455  
1 1 1 -20 5  43 o 31.50471 0.8333436 10.14415       0.5020893 9.221853       0.8220719 10.69290       0.6340992 -2.349236      1.666687  
1 1 1 -20 5  44 o 22.72837 1.024390  5.188756       0.4646656 5.580972       0.6574265 4.797233       0.6568466 1.724081       2.048779  
1 1 1 -20 5  45 o 26.99174 0.9754203 7.314588       0.5258573 6.902660       0.7456116 7.722263       0.7417524 -1.518656      1.950841  
1 1 1 -20 5  46 o 49.47638 1.025149  24.56429       1.014362  24.23701       1.432144  24.89376       1.436916  -0.6631355     2.050298  
1 1 1 -20 5  47 o 15.51936 1.503151  2.526614       0.4283046 1.568365       0.5955132 3.553454       0.6164579 -6.572243      3.006303  
1 1 1 -20 5  48 o 9.112753 1.797370  0.8526396      0.3339723 0.8047945      0.4276186 0.9274644      0.5347624 -0.6695642     3.594740  
1 1 1 -20 5  49 o 27.01781 0.7799863 7.320039       0.4212773 7.444080       0.5901974 7.191195       0.6015159 0.4692249      1.559973  
1 1 1 -20 5  50 o 18.94349 0.9513584 3.612019       0.3591808 3.283928       0.5101112 3.934630       0.5058326 -1.718077      1.902717  
1 1 1 -20 5  51 o 10.11750 1.565821  1.082328       0.3227825 0.5738950      0.4587619 1.580785       0.4542386 -4.820015      3.131642  
1 1 1 -20 5  52 o 27.17539 0.8111520 7.374154       0.4396989 8.145954       0.6457077 6.706830       0.6004160 2.641451       1.622304  
1 1 1 -20 5  53 o 49.54774 0.7841977 24.61925       0.7769553 23.95161       1.090285  25.30812       1.107478  -1.366512      1.568395  
1 1 1 -20 5  54 o 18.72885 1.131142  3.448932       0.4180794 4.060617       0.6600915 3.039181       0.5402572 2.701620       2.262284  
1 1 1 -20 5  55 o 24.18231 1.234504  5.872795       0.5940555 5.095081       0.8139565 6.759217       0.8689833 -3.427322      2.469007  
1 1 1 -20 5  56 o 29.34162 1.130171  8.673433       0.6627177 9.154918       0.9476679 8.212604       0.9271186 1.600679       2.260341  
1 1 1 -20 5  57 o 30.82132 1.151324  9.546356       0.7085055 10.27944       1.035735  8.901623       0.9713206 2.218792       2.302648  
1 1 1 -20 5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 6  1  o 118.7127 1.279545  140.9391       3.036444  143.6702       4.378350  138.4084       4.214686  2.212982       2.559090  
1 1 1 -20 6  2  o 190.5601 2.003102  363.7339       7.634079  362.4879       10.75623  364.9987       10.83666  -0.6563721     4.006205  
1 1 1 -20 6  3  o 122.4404 1.316588  149.3333       3.212042  157.6792       4.797987  142.5551       4.323936  6.167168       2.633175  
1 1 1 -20 6  4  o 155.0454 1.642385  240.6449       5.092869  240.2932       7.192332  240.9985       7.212519  -0.2269745     3.284769  
1 1 1 -20 6  5  o 91.94754 1.020751  84.56767       1.876943  83.89604       2.633177  85.26137       2.676140  -0.7418594     2.041503  
1 1 1 -20 6  6  o 82.40616 0.9347056 67.64274       1.535615  71.40674       2.284534  64.54034       2.074066  4.163567       1.869411  
1 1 1 -20 6  7  o 33.30807 0.5664503 11.07133       0.3769012 10.40144       0.5200983 11.81219       0.5469528 -2.117527      1.132901  
1 1 1 -20 6  8  o 111.2965 1.211522  123.0843       2.681714  131.7200       4.058290  116.3905       3.572937  6.879066       2.423043  
1 1 1 -20 6  9  o 175.2336 1.847549  307.4153       6.474288  310.0448       9.241321  304.8807       9.073050  1.469391       3.695098  
1 1 1 -20 6  10 o 159.8917 1.692803  255.7295       5.409791  250.7614       7.490673  261.1458       7.821228  -3.239944      3.385606  
1 1 1 -20 6  11 f 88.98286 0.9982724 79.20799       1.776550  79.42259       2.521351  78.99641       2.503587  0.2392349      1.996545  
1 1 1 -20 6  12 o 165.5938 2.260602  275.7823       7.384937  268.2623       11.34012  281.3199       9.731274  -3.991989      4.521204  
1 1 1 -20 6  13 o 110.1351 1.197800  121.2125       2.635704  118.1661       3.630136  124.6091       3.833032  -2.921677      2.395601  
1 1 1 -20 6  14 o 68.27931 0.8101737 46.48276       1.103907  44.49394       1.501478  48.82253       1.628576  -3.168282      1.620347  
1 1 1 -20 6  15 f 151.4744 1.609077  229.4246       4.869898  223.9433       6.711199  235.5207       7.077547  -3.812805      3.218153  
1 1 1 -20 6  16 o 64.38637 0.7797087 41.40218       1.002952  40.15277       1.379658  42.80244       1.460576  -2.056660      1.559417  
1 1 1 -20 6  17 f 121.5646 1.312121  147.3969       3.181435  141.5951       4.311975  154.3286       4.713207  -5.229027      2.624242  
1 1 1 -20 6  18 o 108.1305 1.180618  116.9963       2.553214  117.1457       3.613541  116.8474       3.608046  0.1378098      2.361236  
1 1 1 -20 6  19 o 71.37762 0.8425406 49.98896       1.186700  56.88958       1.873543  45.36562       1.533549  8.067772       1.685081  
1 1 1 -20 6  20 o 80.93260 0.9274073 65.50779       1.500727  64.69321       2.092903  66.36987       2.153072  -1.034859      1.854815  
1 1 1 -20 6  21 o 50.50214 0.6855956 25.42972       0.6911790 24.21860       0.9427563 26.83727       1.016335  -2.591663      1.371191  
1 1 1 -20 6  22 o 127.9071 1.377180  163.6582       3.520802  167.1907       5.088868  160.4146       4.876266  2.642746       2.754359  
1 1 1 -20 6  23 f 103.6693 1.142807  107.4242       2.367078  110.4736       3.442223  104.6886       3.260288  2.785492       2.285615  
1 1 1 -20 6  24 o 172.5046 1.825607  297.9184       6.292879  291.1227       8.682066  305.4400       9.134080  -4.130432      3.651215  
1 1 1 -20 6  25 o 59.57172 0.7530984 35.49362       0.8971541 34.91702       1.256879  36.09258       1.281000  -0.9862175     1.506197  
1 1 1 -20 6  26 o 174.3905 1.846235  304.9442       6.439316  304.8683       9.105953  305.0202       9.107183  -0.4347229E-01 3.692470  
1 1 1 -20 6  27 o 89.28515 1.007453  79.78907       1.799009  79.64075       2.541720  79.93797       2.546654  -0.1662903     2.014906  
1 1 1 -20 6  28 f 102.8895 1.138082  105.3680       2.331260  99.87253       3.122241  112.2917       3.504584  -6.020805      2.276165  
1 1 1 -20 6  29 o 107.0801 1.177675  114.6896       2.520009  111.8938       3.478980  117.7758       3.655209  -2.739418      2.355350  
1 1 1 -20 6  30 f 20.03258 0.7114375 4.058954       0.2805676 3.241149       0.3973677 4.871959       0.3961998 -4.070427      1.422875  
1 1 1 -20 6  31 o 34.72348 0.6213902 12.00730       0.4303831 10.90323       0.5880388 13.28100       0.6316006 -3.422714      1.242780  
1 1 1 -20 6  32 o 44.35772 0.6569453 19.68331       0.5826954 19.85646       0.8338441 19.51806       0.8146043 0.3808746      1.313891  
1 1 1 -20 6  33 o 18.61706 0.7490290 3.443716       0.2742876 4.398435       0.4069357 2.648844       0.3713100 4.697653       1.498058  
1 1 1 -20 6  34 o 29.13693 0.6434110 8.484115       0.3746468 8.753159       0.5431381 8.239911       0.5174555 0.8799210      1.286822  
1 1 1 -20 6  35 f 16.14262 0.8653092 2.679646       0.2681272 1.819517       0.3792203 3.539494       0.3791580 -5.327443      1.730618  
1 1 1 -20 6  36 o 43.37471 0.7398673 18.87486       0.6363209 19.19133       0.8500951 18.47161       0.9596127 0.8341255      1.479735  
1 1 1 -20 6  37 o 10.24498 1.783947  1.100923       0.3548308 1.126540       0.4468530 1.057204       0.5837650 0.2955198      3.567893  
1 1 1 -20 6  38 f 43.03674 0.9877818 18.61068       0.8476699 19.59733       1.176033  17.54379       1.222913  2.388939       1.975564  
1 1 1 -20 6  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 6  40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 6  41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 6  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 6  43 o 30.49025 1.531507  9.327455       0.9339202 9.327455       0.9339202 ?              ?         ?              ?         
1 1 1 -20 6  44 o 24.84896 1.185393  6.175022       0.5806659 7.720963       0.8540018 4.845799       0.7918833 5.777628       2.370786  
1 1 1 -20 6  45 o 36.45429 1.044608  13.33505       0.7615975 13.43448       1.078266  13.23606       1.075861  0.2718658      2.089216  
1 1 1 -20 6  46 o 34.10118 1.053792  11.67290       0.7186923 11.65646       1.012465  11.68959       1.020350  -0.4757690E-01 2.107583  
1 1 1 -20 6  47 o 15.63332 1.392661  2.438046       0.4263088 2.574189       0.6837162 2.351451       0.5452846 0.6872921      2.785322  
1 1 1 -20 6  48 o 30.13527 0.9379576 8.882989       0.5202129 9.695541       0.9621799 8.547359       0.6183876 1.861704       1.875915  
1 1 1 -20 6  49 o 46.35271 0.9389624 22.03074       0.8225047 20.07045       1.382001  23.10593       1.023511  -3.321423      1.877925  
1 1 1 -20 6  50 o 34.20129 0.9474524 11.46709       0.5944632 12.42766       1.104040  11.07489       0.7054589 1.922680       1.894905  
1 1 1 -20 6  51 o 48.89722 0.8252095 24.11323       0.8024903 21.65923       1.151828  26.42802       1.118683  -4.880806      1.650419  
1 1 1 -20 6  52 o 54.12812 0.8556167 29.32989       0.9162445 29.91108       1.409035  28.90410       1.206047  0.8996735      1.711233  
1 1 1 -20 6  53 o 29.01979 0.8707942 8.535097       0.4992374 7.826475       0.7479248 9.104543       0.6704659 -2.213985      1.741588  
1 1 1 -20 6  54 f 31.64916 1.002471  10.18344       0.6119919 9.630314       0.9934427 10.52172       0.7769139 -1.449436      2.004942  
1 1 1 -20 6  55 o 13.90809 1.800662  1.997123       0.4890234 1.737707       0.6732564 2.286843       0.7114937 -2.189422      3.601324  
1 1 1 -20 6  56 o 58.36484 1.183427  34.26488       1.379343  32.37695       1.890256  36.41513       2.017308  -3.425793      2.366854  
1 1 1 -20 6  57 o 50.71436 1.142837  25.92936       1.159089  25.60335       1.628286  26.26425       1.650335  -0.6459351     2.285674  
1 1 1 -20 6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 7  1  o 118.2178 1.275181  139.8242       3.014385  141.4871       4.314952  138.2390       4.212849  1.371635       2.550362  
1 1 1 -20 7  2  o 174.0472 1.836761  303.3065       6.392279  299.8924       8.929537  306.8950       9.154764  -2.005112      3.673523  
1 1 1 -20 7  3  o 128.5020 1.377873  165.2457       3.540853  163.8547       4.966300  166.6839       5.049788  -1.099045      2.755747  
1 1 1 -20 7  4  o 129.1080 1.383685  166.8205       3.572787  167.6976       5.076969  165.9600       5.028742  0.6719208      2.767370  
1 1 1 -20 7  5  o 36.02245 0.5705815 12.95706       0.4107429 12.36818       0.5680233 13.60245       0.5946473 -1.712963      1.141163  
1 1 1 -20 7  6  o 96.33364 1.062785  92.47483       2.041109  88.48824       2.757214  97.30839       3.036013  -4.573502      2.125570  
1 1 1 -20 7  7  o 196.9827 2.069685  388.1743       8.144266  399.3528       11.86718  378.2220       11.19744  5.343170       4.139369  
1 1 1 -20 7  8  o 99.43556 1.094647  98.92149       2.176906  98.56451       3.068640  99.28314       3.088679  -0.3610382     2.189295  
1 1 1 -20 7  9  o 149.8698 1.591738  224.3944       4.763025  217.5463       6.513241  232.2662       6.983153  -4.899918      3.183477  
1 1 1 -20 7  10 o 89.25671 0.9999053 79.70082       1.784963  79.75602       2.526709  79.64582       2.521935  0.6166840E-01  1.999811  
1 1 1 -20 7  11 o 93.83999 1.039955  87.30048       1.938182  94.67133       2.959435  81.76459       2.564745  6.870865       2.079911  
1 1 1 -20 7  12 o 122.3665 1.318860  149.8419       3.227587  149.1891       4.543274  150.5069       4.586019  -0.5376205     2.637720  
1 1 1 -20 7  13 o 161.4385 2.218324  260.3699       6.983014  264.8148       11.24398  257.5792       8.909462  2.161514       4.436647  
1 1 1 -20 7  14 o 49.77364 0.6633379 24.68530       0.6588766 23.40432       0.8960929 26.19288       0.9721291 -2.800457      1.326676  
1 1 1 -20 7  15 f 116.5285 1.262034  135.3616       2.932237  142.3221       4.357161  129.5999       3.964250  5.450928       2.524068  
1 1 1 -20 7  16 o 72.80855 0.8504651 52.67376       1.232401  49.64665       1.647312  56.52169       1.857274  -4.718407      1.700930  
1 1 1 -20 7  17 o 20.58571 0.6423553 4.234279       0.2640371 3.906552       0.3674737 4.584054       0.3796328 -1.645435      1.284711  
1 1 1 -20 7  18 o 162.7027 1.725110  264.4180       5.601624  275.2043       8.251912  255.1998       7.628547  6.128952       3.450220  
1 1 1 -20 7  19 o 112.2939 1.224009  126.1889       2.748786  126.9239       3.914579  125.4740       3.860722  0.6443710      2.448018  
1 1 1 -20 7  20 o 108.5418 1.189056  117.7865       2.579183  120.7969       3.738785  115.0531       3.562620  2.641670       2.378111  
1 1 1 -20 7  21 o 151.6231 1.613660  229.9543       4.887840  224.2276       6.723996  236.3713       7.117693  -3.990906      3.227320  
1 1 1 -20 7  22 o 71.48664 0.8427785 51.00887       1.203007  49.16020       1.645468  53.13166       1.763251  -2.775513      1.685557  
1 1 1 -20 7  23 f 44.69347 0.6457687 19.76381       0.5737539 22.02826       0.8717107 18.03299       0.7621099 4.467937       1.291537  
1 1 1 -20 7  24 o 78.41553 0.9071395 61.49890       1.422210  62.57302       2.043320  60.48955       1.980757  1.327019       1.814279  
1 1 1 -20 7  25 o 100.7664 1.114251  101.5464       2.243987  99.29996       3.103692  104.0069       3.248191  -2.331009      2.228501  
1 1 1 -20 7  26 o 68.65396 0.8242755 47.15728       1.131731  47.57855       1.611122  46.74692       1.590103  0.6051254      1.648551  
1 1 1 -20 7  27 o 63.71925 0.7846215 40.58620       0.9992287 41.62903       1.445904  39.63287       1.382474  1.564732       1.569243  
1 1 1 -20 7  28 o 81.07920 0.9331213 65.79337       1.513127  65.91380       2.143905  65.67385       2.135888  0.1477051      1.866243  
1 1 1 -20 7  29 o 86.50564 0.9851734 74.33101       1.694612  80.12208       2.569035  69.87038       2.254701  5.913971       1.970347  
1 1 1 -20 7  30 o 26.87821 0.6316953 7.225345       0.3392647 7.283514       0.4913118 7.172328       0.4690478 0.2062416      1.263391  
1 1 1 -20 7  31 o 77.96441 0.9099666 60.71517       1.416547  63.06602       2.076886  58.67030       1.937019  2.813354       1.819933  
1 1 1 -20 7  32 o 32.27811 0.6340883 10.42412       0.4091514 10.42925       0.5877689 10.41928       0.5698996 0.1491547E-01  1.268177  
1 1 1 -20 7  33 o 71.46210 1.042668  50.48750       1.390933  52.96939       2.484807  49.35490       1.678565  2.488022       2.085337  
1 1 1 -20 7  34 o 35.12363 0.8540418 12.25197       0.5975087 11.01116       0.8060073 13.76578       0.8902726 -3.917538      1.708084  
1 1 1 -20 7  35 o 76.96690 1.265002  59.37319       1.947027  58.61442       2.727490  60.16163       2.780294  -1.001465      2.530005  
1 1 1 -20 7  36 o 63.84707 1.111500  40.14320       1.403604  36.36486       1.826644  45.59040       2.193260  -7.201057      2.222999  
1 1 1 -20 7  37 o 78.36020 1.288550  61.49482       2.016999  63.48086       2.940775  59.73063       2.771666  2.378723       2.577100  
1 1 1 -20 7  38 o 37.11418 0.7909055 14.04838       0.5719358 15.15216       0.7480180 12.49491       0.8874058 3.587456       1.581811  
1 1 1 -20 7  39 o 47.79827 0.7076303 22.64949       0.6729758 25.16038       1.016327  20.68893       0.8980697 4.671410       1.415261  
1 1 1 -20 7  40 o 15.75028 0.9136350 2.490618       0.2870895 2.304825       0.4079953 2.672830       0.4040454 -1.168542      1.827270  
1 1 1 -20 7  41 o 30.54460 0.7009196 9.184792       0.4244041 11.00500       0.6474019 7.813074       0.5620116 5.219883       1.401839  
1 1 1 -20 7  42 o 19.71592 0.8320529 3.897683       0.3277875 3.795269       0.4697914 3.994838       0.4575731 -0.5070782     1.664106  
1 1 1 -20 7  43 o 70.31089 0.8737853 49.27282       1.224010  52.59715       1.831316  46.58864       1.645569  4.255936       1.747571  
1 1 1 -20 7  44 o 27.33045 0.7427859 7.492185       0.4054372 7.106918       0.5773941 7.866908       0.5694382 -1.391010      1.485572  
1 1 1 -20 7  45 o 26.82503 0.7435708 7.156371       0.3972194 8.138549       0.5887254 6.335612       0.5381777 3.356178       1.487142  
1 1 1 -20 7  46 o 26.62658 0.7656395 7.108563       0.4074234 6.805610       0.5770041 7.409799       0.5753668 -1.134718      1.531279  
1 1 1 -20 7  47 o 28.91577 0.7449867 8.376819       0.4307411 8.468683       0.6169421 8.289447       0.6016649 0.3084011      1.489973  
1 1 1 -20 7  48 o 69.65964 0.8890542 48.57138       1.236859  50.54650       1.809035  46.83760       1.694904  2.648155       1.778108  
1 1 1 -20 7  49 f 39.11437 0.7963659 15.36370       0.6172491 15.52421       0.8215213 15.15564       0.9353601 0.4843445      1.592732  
1 1 1 -20 7  50 o 70.33589 0.9757832 49.41275       1.350059  48.27189       1.747972  51.09955       2.125448  -1.953880      1.951566  
1 1 1 -20 7  51 o 46.53491 0.9614865 21.34896       0.8256218 20.73463       0.9854258 22.79585       1.512329  -2.128822      1.922973  
1 1 1 -20 7  52 o 38.69817 0.9713313 14.31621       0.6844817 13.37602       0.8029005 16.81710       1.309490  -4.359844      1.942663  
1 1 1 -20 7  53 o 30.27828 1.159410  9.197159       0.7002173 8.789187       0.9490315 9.684612       1.037368  -1.459946      2.318821  
1 1 1 -20 7  54 o 46.20330 1.549088  21.49089       1.431460  21.49089       1.431460  ?              ?         ?              ?         
1 1 1 -20 7  55 o 17.31069 2.171478  3.038657       0.7517958 3.038657       0.7517958 ?              ?         ?              ?         
1 1 1 -20 7  56 o 24.60687 1.789311  6.115538       0.8805869 6.115538       0.8805869 ?              ?         ?              ?         
1 1 1 -20 7  57 o 27.51310 1.738442  7.644256       0.9565982 7.644256       0.9565982 ?              ?         ?              ?         
1 1 1 -20 7  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 8  1  o 99.51881 1.573322  98.48402       3.114561  93.05832       4.152693  105.4603       4.708853  -6.215553      3.146644  
1 1 1 -20 8  2  o 48.19835 0.9865971 23.21958       0.9505818 23.99690       1.370280  22.49848       1.319793  1.553593       1.973194  
1 1 1 -20 8  3  o 96.18870 1.066248  91.49606       2.033610  84.88019       2.672399  100.5975       3.134469  -8.161896      2.132496  
1 1 1 -20 8  4  o 115.7611 1.251845  134.1029       2.898296  134.2691       4.103172  133.9375       4.094461  0.1430511      2.503691  
1 1 1 -20 8  5  o 88.11520 0.9839558 77.67561       1.733997  77.42957       2.443337  77.92528       2.461244  -0.2810059     1.967912  
1 1 1 -20 8  6  o 153.2224 1.625517  234.5432       4.972358  243.1664       7.299252  227.0768       6.792063  5.237167       3.251034  
1 1 1 -20 8  7  o 59.12394 0.7286588 34.78607       0.8585488 32.96677       1.156276  37.02160       1.281735  -3.427639      1.457318  
1 1 1 -20 8  8  f 146.9543 1.563421  216.1643       4.594551  214.2726       6.441803  218.1231       6.555027  -1.307281      3.126842  
1 1 1 -20 8  9  o 28.15968 0.5504205 7.913011       0.3095266 8.546820       0.4487343 7.337741       0.4275099 2.146643       1.100841  
1 1 1 -20 8  10 o 65.20592 0.7800292 41.48958       1.000068  37.22216       1.279451  48.19123       1.603363  -8.407059      1.560058  
1 1 1 -20 8  11 o 136.4905 1.458555  186.4735       3.981520  185.9468       5.613063  187.0069       5.648546  -0.3874969     2.917109  
1 1 1 -20 8  12 o 180.0954 1.899232  323.6819       6.819753  339.4819       10.13277  310.5979       9.220787  7.991074       3.798463  
1 1 1 -20 8  13 o 69.35425 0.8188287 48.06110       1.134917  49.44755       1.644666  46.80073       1.568101  1.907166       1.637657  
1 1 1 -20 8  14 o 65.10156 1.148812  42.40152       1.495667  42.99621       2.131503  41.82469       2.099249  0.8991470      2.297625  
1 1 1 -20 8  15 o 117.2942 1.270073  137.6779       2.979313  138.5446       4.237539  136.8307       4.189639  0.7295380      2.540146  
1 1 1 -20 8  16 o 133.4445 1.430499  178.2200       3.817167  180.1565       5.460364  176.3690       5.338284  1.416000       2.860998  
1 1 1 -20 8  17 o 74.59836 0.8680867 55.66700       1.295096  56.12201       1.842555  55.22270       1.820724  0.6024170      1.736173  
1 1 1 -20 8  18 o 123.6837 1.334743  153.1109       3.301342  154.3967       4.711569  151.8707       4.627181  1.018890       2.669487  
1 1 1 -20 8  19 o 181.2058 1.912697  328.9984       6.930344  325.4080       9.681819  332.7711       9.924667  -2.021820      3.825395  
1 1 1 -20 8  20 o 115.2976 1.252710  133.0638       2.888620  132.6000       4.068502  133.5353       4.101954  -0.4046860     2.505419  
1 1 1 -20 8  21 o 45.63532 0.6532906 20.57410       0.5924632 18.46397       0.7865037 23.34222       0.9008221 -5.343071      1.306581  
1 1 1 -20 8  22 o 39.71862 0.6203085 15.76215       0.4924778 15.18480       0.6832292 16.38651       0.7105092 -1.512356      1.240617  
1 1 1 -20 8  23 o 104.4075 1.148731  108.8088       2.393402  113.5745       3.529364  104.7512       3.256626  4.217049       2.297461  
1 1 1 -20 8  24 f 74.55572 0.8765690 55.39003       1.303144  52.81038       1.762046  58.50439       1.936069  -3.814163      1.753138  
1 1 1 -20 8  25 o 33.41322 0.6029260 11.16244       0.4027657 11.36660       0.5792091 10.97129       0.5604476 0.5911903      1.205852  
1 1 1 -20 8  26 f 50.72626 0.6835659 25.39270       0.6877060 28.47151       1.059574  23.15172       0.9039792 5.240070       1.367132  
1 1 1 -20 8  27 o 27.23814 0.6204513 7.419581       0.3378377 7.494775       0.4863566 7.349471       0.4696315 0.2663727      1.240903  
1 1 1 -20 8  28 o 22.30822 0.6681212 4.829069       0.2925091 6.387630       0.4567503 3.745422       0.3808562 5.920168       1.336242  
1 1 1 -20 8  29 o 48.17124 0.8092649 22.71067       0.7310290 24.68124       1.304823  21.80918       0.8825415 2.966793       1.618530  
1 1 1 -20 8  30 o 41.16709 0.8570773 16.76943       0.7014863 15.13130       0.9330169 18.89949       1.063927  -4.571682      1.714155  
1 1 1 -20 8  31 o 69.01910 1.155340  47.33986       1.585709  51.18573       2.403440  44.37536       2.110140  4.917992       2.310680  
1 1 1 -20 8  32 o 58.97188 1.044891  34.83250       1.232273  34.46417       1.747835  35.19654       1.737605  -0.6214676     2.089783  
1 1 1 -20 8  33 o 26.12934 0.7709605 6.975273       0.3938032 7.744712       0.5242589 5.978954       0.5965649 3.381742       1.541921  
1 1 1 -20 8  34 o 75.95467 1.091419  57.44070       1.563283  56.74208       1.909308  58.86158       2.722910  -1.347603      2.182838  
1 1 1 -20 8  35 o 34.86460 0.6531510 12.07401       0.4534159 10.65403       0.6142989 13.77346       0.6720380 -4.471481      1.306302  
1 1 1 -20 8  36 o 60.58177 0.7792475 36.71968       0.9437783 37.47290       1.358554  36.01714       1.312068  1.199192       1.558495  
1 1 1 -20 8  37 o 36.52346 0.6618403 13.33352       0.4830777 12.64817       0.6705042 14.07324       0.6965927 -1.949692      1.323681  
1 1 1 -20 8  38 o 74.06854 0.8920898 54.88537       1.320599  53.30376       1.826434  56.61808       1.911701  -2.231987      1.784180  
1 1 1 -20 8  39 o 64.97427 0.8197649 42.18584       1.063563  43.86807       1.558608  40.71992       1.454948  2.415962       1.639530  
1 1 1 -20 8  40 o 10.21735 1.377169  1.068665       0.2743910 1.317935       0.3978500 0.8425336      0.3789356 2.484433       2.754338  
1 1 1 -20 8  41 o 63.39214 0.8186474 40.25198       1.037696  40.41301       1.484207  40.09799       1.451391  0.2460060      1.637295  
1 1 1 -20 8  42 o 32.13718 0.7102039 10.30245       0.4542996 8.966630       0.6231943 11.81742       0.6636673 -4.432428      1.420408  
1 1 1 -20 8  43 o 64.44678 0.8326276 41.61403       1.073059  41.95919       1.532503  41.28204       1.502995  0.5227585      1.665255  
1 1 1 -20 8  44 o 63.65520 0.8262115 40.60843       1.051788  40.59506       1.495642  40.62150       1.479398  -0.2228928E-01 1.652423  
1 1 1 -20 8  45 f 8.665387 1.595664  0.7950619      0.2843042 0.5836075      0.4173869 0.9780893      0.3883187 -2.007738      3.191328  
1 1 1 -20 8  46 o 55.96107 0.7860783 31.34367       0.8791680 30.10629       1.216492  32.69660       1.272030  -2.308674      1.572157  
1 1 1 -20 8  47 o 51.79024 0.7629942 26.86756       0.7900810 26.04494       1.103426  27.73304       1.131801  -1.626801      1.525988  
1 1 1 -20 8  48 o 44.24565 0.7433180 19.62369       0.6576054 19.10836       0.9297354 20.13959       0.9302538 -1.165295      1.486636  
1 1 1 -20 8  49 o 47.50214 0.7568998 22.59828       0.7185426 23.11031       1.040697  22.13182       0.9933043 1.024658       1.513800  
1 1 1 -20 8  50 o 34.50838 0.7625958 11.93780       0.5259957 12.00725       0.7582572 11.87337       0.7302723 0.1904984      1.525192  
1 1 1 -20 8  51 o 9.771139 1.526313  1.028709       0.3362436 0.1493372      0.4921518 1.798502       0.4604684 -7.180898      3.052625  
1 1 1 -20 8  52 o 32.44784 0.7911211 10.56659       0.5131614 10.32659       0.7312296 10.79949       0.7203327 -0.7302399     1.582242  
1 1 1 -20 8  53 o 50.24317 0.9851262 25.20946       0.9630669 26.08640       1.565602  24.67562       1.221520  1.339687       1.970252  
1 1 1 -20 8  54 o 9.631855 1.902216  0.8594571      0.4409075 0.1031379      0.6103572 1.684825       0.6376101 -6.003115      3.804431  
1 1 1 -20 8  55 o 17.99621 1.522367  3.280087       0.5473436 3.411233       0.7970879 3.163071       0.7529206 0.6744957      3.044734  
1 1 1 -20 8  56 o 50.30824 1.129029  25.41697       1.133850  23.64380       1.551207  27.45122       1.661479  -3.756420      2.258057  
1 1 1 -20 8  57 o 25.09845 1.274024  6.369159       0.6394381 6.431014       0.9000763 6.306128       0.9085878 0.2513809      2.548049  
1 1 1 -20 8  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 9  1  o 120.7981 1.864712  146.2191       4.505008  145.9501       6.351328  146.4914       6.390944  -0.2224884     3.729425  
1 1 1 -20 9  2  o 259.1296 3.857328  676.9998       19.98821  670.9987       27.99172  683.2433       28.55178  -2.319611      7.714657  
1 1 1 -20 9  3  o 147.3468 2.234698  217.6720       6.584969  219.4976       9.385902  215.9023       9.240896  1.213806       4.469395  
1 1 1 -20 9  4  o 202.9544 3.032435  413.8766       12.30887  414.7453       17.43760  413.0139       17.37730  0.4231720      6.064870  
1 1 1 -20 9  5  o 32.51617 0.5431810 10.54453       0.3527390 9.954122       0.4839239 11.21383       0.5152445 -1.936749      1.086362  
1 1 1 -20 9  6  o 81.38373 0.9219471 65.85027       1.493894  70.47136       2.245468  62.18071       2.000977  5.089584       1.843894  
1 1 1 -20 9  7  f 58.64402 0.7233456 33.87451       0.8396662 30.94803       1.095901  38.03468       1.306637  -6.039436      1.446691  
1 1 1 -20 9  8  o 73.08772 0.8487324 53.39999       1.240053  54.59902       1.787473  52.28748       1.721772  1.580383       1.697465  
1 1 1 -20 9  9  o 38.65654 0.5902529 14.66036       0.4517704 12.89722       0.5906813 17.14539       0.7012534 -5.493633      1.180506  
1 1 1 -20 9  10 o 47.47072 0.6441966 22.50619       0.6110327 21.80789       0.8420680 23.28279       0.8880236 -1.552975      1.288393  
1 1 1 -20 9  11 o 76.09779 0.8794942 56.95749       1.322390  64.11362       2.074865  52.06221       1.716087  7.912788       1.758988  
1 1 1 -20 9  12 o 163.7833 1.734185  268.4677       5.677174  263.4283       7.866509  273.9453       8.201433  -3.200180      3.468369  
1 1 1 -20 9  13 o 100.6226 1.110131  101.3137       2.234056  101.1666       3.150241  101.4625       3.168704  -0.1466064     2.220263  
1 1 1 -20 9  14 f 127.0275 1.368115  161.2162       3.470291  156.3704       4.750416  166.7617       5.081789  -4.081459      2.736231  
1 1 1 -20 9  15 o 119.9900 1.297171  144.0587       3.112023  146.2508       4.467325  141.9919       4.337670  1.771286       2.594343  
1 1 1 -20 9  16 f 37.75608 0.6051648 14.19594       0.4559676 15.32481       0.6715286 13.23028       0.6210919 2.773117       1.210330  
1 1 1 -20 9  17 o 140.3009 1.499065  197.1153       4.206384  197.5047       5.959251  196.7287       5.938255  0.2758331      2.998129  
1 1 1 -20 9  18 f 95.52312 1.061386  90.82149       2.019366  86.24366       2.711130  96.52608       3.026447  -5.374603      2.122773  
1 1 1 -20 9  19 f 104.7503 1.150412  109.8196       2.410071  110.2592       3.421686  109.3868       3.395177  0.4157028      2.300825  
1 1 1 -20 9  20 o 110.9682 1.211716  123.2038       2.688129  121.2410       3.737686  125.3068       3.868884  -1.828041      2.423432  
1 1 1 -20 9  21 o 111.1882 1.213486  123.7458       2.698206  122.6081       3.781798  124.9253       3.850819  -1.039780      2.426973  
1 1 1 -20 9  22 o 102.0307 1.127520  103.6726       2.291546  109.9652       3.431619  98.60843       3.078529  5.554001       2.255040  
1 1 1 -20 9  23 o 114.9276 1.252470  132.1136       2.876248  128.9486       3.967088  135.6211       4.176222  -2.894875      2.504939  
1 1 1 -20 9  24 o 63.25053 0.7807831 40.02124       0.9874659 40.35892       1.414301  39.70006       1.379331  0.5199394      1.561566  
1 1 1 -20 9  25 f 54.59924 0.8426452 30.36566       0.8991324 26.88438       1.380530  32.93021       1.184902  -5.542027      1.685290  
1 1 1 -20 9  26 f 55.40504 0.9819043 30.72430       1.087928  30.86986       1.551701  30.58358       1.525753  0.2574577      1.963809  
1 1 1 -20 9  27 o 31.51934 0.7990953 9.799319       0.4999383 8.436260       0.6650476 11.57047       0.7580941 -4.969011      1.598191  
1 1 1 -20 9  28 o 89.58553 1.414025  80.34068       2.530900  82.77154       3.681973  78.16341       3.484639  2.559906       2.828049  
1 1 1 -20 9  29 o 121.2626 1.627056  144.3521       3.621636  139.7489       4.301806  155.5553       6.711043  -6.343452      3.254112  
1 1 1 -20 9  30 o 72.99608 0.9271020 53.42735       1.350734  57.18394       1.906122  49.63821       1.914359  5.168945       1.854204  
1 1 1 -20 9  31 o 17.78811 0.7418784 3.171736       0.2634926 3.001557       0.3759574 3.336030       0.3693987 -0.9403973     1.483757  
1 1 1 -20 9  32 o 45.12379 0.6723127 20.09537       0.6020233 22.68944       0.9244882 18.18540       0.7932743 4.986149       1.344625  
1 1 1 -20 9  33 o 75.56609 1.242272  57.23302       1.877393  56.72179       2.640415  57.75574       2.669900  -0.6821518     2.484543  
1 1 1 -20 9  34 o 50.17765 0.7041758 25.17429       0.7063361 24.22672       0.9823869 26.18839       1.016296  -1.953362      1.408352  
1 1 1 -20 9  35 o 52.11238 0.7168502 27.17281       0.7468856 27.50620       1.072683  26.85909       1.040561  0.6194382      1.433700  
1 1 1 -20 9  36 o 33.51612 0.6530779 11.22449       0.4367262 10.17703       0.6053470 12.36146       0.6306798 -3.257635      1.306156  
1 1 1 -20 9  37 o 34.68447 0.6573288 12.03425       0.4556694 11.42082       0.6371725 12.67639       0.6519079 -1.809315      1.314658  
1 1 1 -20 9  38 o 56.48432 0.7546585 31.87827       0.8512661 33.10907       1.245701  30.79995       1.165992  2.039436       1.509317  
1 1 1 -20 9  39 o 57.29112 0.7742067 32.64826       0.8838169 30.32312       1.189154  35.51773       1.321034  -4.525009      1.548413  
1 1 1 -20 9  40 f 57.62608 0.7729294 33.24546       0.8906209 32.31504       1.247039  34.21409       1.272400  -1.645981      1.545859  
1 1 1 -20 9  41 o 37.21154 0.9425508 12.94955       0.6558810 16.53812       1.210714  11.45895       0.7802980 6.784222       1.885102  
1 1 1 -20 9  42 o 11.81328 1.197904  1.399322       0.2821751 1.556417       0.4075071 1.254615       0.3911095 1.275331       2.395807  
1 1 1 -20 9  43 o 50.23219 0.7426015 25.19395       0.7448298 23.70020       1.019649  26.90288       1.090627  -3.182049      1.485203  
1 1 1 -20 9  44 o 13.47447 1.123272  1.823074       0.3026831 1.806383       0.4246290 1.840314       0.4315726 -0.1249809     2.246544  
1 1 1 -20 9  45 o 78.73041 0.9522606 62.17633       1.499281  61.37376       2.101882  63.00768       2.139219  -1.033119      1.904521  
1 1 1 -20 9  46 o 35.46663 0.7233632 12.56175       0.5121343 13.30003       0.7531086 11.92664       0.6985043 1.930832       1.446726  
1 1 1 -20 9  47 o 17.99051 0.9413478 3.214512       0.3355956 3.898437       0.5006678 2.656524       0.4522281 3.445253       1.882696  
1 1 1 -20 9  48 o 48.31481 0.7590128 23.38059       0.7330391 23.93690       1.057958  22.86690       1.016625  1.102734       1.518026  
1 1 1 -20 9  49 f 35.28811 0.7517755 12.42697       0.5293337 13.37108       0.7813700 11.62619       0.7196186 2.465157       1.503551  
1 1 1 -20 9  50 o 62.87681 0.8487217 39.64996       1.066927  38.75976       1.485113  40.59949       1.533790  -1.455811      1.697443  
1 1 1 -20 9  51 o 11.14079 1.484944  1.272358       0.3220862 1.597728       0.4727615 0.9905226      0.4399985 2.888139       2.969888  
1 1 1 -20 9  52 f 24.62441 1.024744  5.915802       0.4902969 6.847408       0.8162935 5.390030       0.6132382 2.921022       2.049488  
1 1 1 -20 9  53 o 10.05513 2.100253  1.038882       0.4533965 1.253425       0.6677766 0.8553920      0.6175624 1.658914       4.200507  
1 1 1 -20 9  54 o 10.65169 2.092274  1.205569       0.4680611 0.9487818      0.6823852 1.433730       0.6432258 -1.919201      4.184548  
1 1 1 -20 9  55 o 32.10951 1.091675  10.39182       0.7004799 9.891736       0.9894791 10.89424       0.9917814 -1.560511      2.183350  
1 1 1 -20 9  56 f 10.10576 2.258253  1.043110       0.5173711 0.8284729      0.7480443 1.239935       0.7163320 -1.460177      4.516506  
1 1 1 -20 9  57 o 35.91618 1.207244  13.02599       0.8558452 13.07886       1.322278  12.98787       1.122748  0.6633759E-01  2.414489  
1 1 1 -20 9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 10 1  o 53.46446 1.047557  27.98215       1.105800  24.85760       1.430844  32.61597       1.742482  -7.248001      2.095113  
1 1 1 -20 10 2  f 99.13756 1.573364  98.42903       3.119389  99.30888       4.442463  97.57331       4.381140  0.8731384      3.146728  
1 1 1 -20 10 3  o 49.13324 1.016443  24.15211       0.9984490 25.08520       1.422188  23.24524       1.402067  1.871956       2.032886  
1 1 1 -20 10 4  o 49.11572 1.009980  24.12768       0.9917406 25.08583       1.417857  23.20986       1.387696  1.909069       2.019959  
1 1 1 -20 10 5  o 88.83011 1.440727  78.97986       2.559055  80.31244       3.665593  77.71286       3.574236  1.460403       2.881454  
1 1 1 -20 10 6  f 24.17950 1.052993  5.906414       0.5031655 6.872006       0.7061949 4.910777       0.7170972 4.055803       2.105986  
1 1 1 -20 10 7  o 87.38814 0.9806491 76.40620       1.713872  76.84484       2.437145  75.97707       2.410634  0.4959641      1.961298  
1 1 1 -20 10 8  o 60.83360 0.7439335 36.92804       0.9037049 38.61703       1.324137  35.45538       1.236430  2.597248       1.487867  
1 1 1 -20 10 9  o 76.31519 0.8821618 58.26219       1.346356  57.89315       1.890953  58.64162       1.917393  -0.4898911     1.764324  
1 1 1 -20 10 10 f 93.10800 1.037374  86.70884       1.931072  85.41853       2.688331  88.08434       2.775658  -1.429665      2.074747  
1 1 1 -20 10 11 o 132.1516 1.418685  174.8401       3.749388  173.9342       5.267272  175.7706       5.338311  -0.6926727     2.837371  
1 1 1 -20 10 12 o 68.22116 0.8096101 46.43366       1.102702  48.63389       1.619282  44.53099       1.505807  3.005074       1.619220  
1 1 1 -20 10 13 o 168.8305 1.786473  285.4747       6.029942  281.2558       8.390631  289.9808       8.671558  -2.572922      3.572946  
1 1 1 -20 10 14 o 110.0623 1.201902  120.9747       2.640945  125.6162       3.877105  116.9569       3.607205  3.926582       2.403804  
1 1 1 -20 10 15 o 101.5941 1.608314  103.3819       3.267746  102.9679       4.595099  103.8054       4.647937  -0.4102097     3.216629  
1 1 1 -20 10 16 o 104.3463 1.146702  108.8823       2.391438  106.5831       3.308947  111.3965       3.460125  -2.302353      2.293405  
1 1 1 -20 10 17 o 47.72152 0.6567912 22.72075       0.6258672 21.75961       0.8561041 23.82415       0.9172791 -2.162140      1.313582  
1 1 1 -20 10 18 o 114.8306 1.251534  132.0099       2.874272  132.1694       4.059947  131.8496       4.069741  0.1395645      2.503067  
1 1 1 -20 10 19 o 144.9464 1.548312  210.4098       4.487164  213.2512       6.438499  207.7263       6.257008  1.898239       3.096625  
1 1 1 -20 10 20 o 46.96962 0.6568826 22.06672       0.6170325 21.74880       0.8676839 22.39198       0.8776327 -0.6845016     1.313765  
1 1 1 -20 10 21 o 57.85851 0.8724170 33.80512       0.9741120 32.29793       1.584846  34.72023       1.234918  -2.102573      1.744834  
1 1 1 -20 10 22 o 41.52219 0.8219671 17.25180       0.6825833 17.11832       0.9650573 17.38542       0.9655800 -0.3216209     1.643934  
1 1 1 -20 10 23 o 60.69070 1.030688  36.78094       1.249148  35.31193       1.709662  38.46320       1.829551  -2.592026      2.061377  
1 1 1 -20 10 24 o 69.23468 1.142733  47.76146       1.576379  50.59505       2.355949  45.46449       2.121163  3.695946       2.285467  
1 1 1 -20 10 25 o 29.38816 0.6921685 8.499229       0.3966657 8.042222       0.5017058 9.261239       0.6478405 -2.070271      1.384337  
1 1 1 -20 10 26 o 56.45124 0.8652354 32.04882       0.9407611 32.47793       1.185000  31.31736       1.547153  1.040638       1.730471  
1 1 1 -20 10 27 f 78.97362 0.9171500 62.21014       1.444862  65.43628       2.138792  59.50186       1.959630  3.749962       1.834300  
1 1 1 -20 10 28 o 29.47022 0.6215509 8.613979       0.3641155 7.403016       0.4921518 10.07840       0.5412115 -4.537760      1.243102  
1 1 1 -20 10 29 o 136.7519 1.472759  187.3005       4.023518  192.6075       5.859067  182.5643       5.534982  3.649536       2.945518  
1 1 1 -20 10 30 o 15.01396 0.8623139 2.326811       0.2455425 1.473396       0.3447328 3.205610       0.3498222 -5.768473      1.724628  
1 1 1 -20 10 31 o 63.86891 0.7973407 40.70529       1.016342  42.70173       1.497964  39.00231       1.383499  2.891285       1.594681  
1 1 1 -20 10 32 o 40.46310 0.8575236 16.39289       0.6938473 16.28322       0.9882837 16.49949       0.9743610 -0.2678871     1.715047  
1 1 1 -20 10 33 o 63.79372 0.7967988 40.47903       1.012593  37.94698       1.360036  43.62844       1.516801  -4.445858      1.593598  
1 1 1 -20 10 34 f 70.13896 0.8549507 49.25864       1.199305  49.22581       1.694224  49.29161       1.697929  -0.4671478E-01 1.709901  
1 1 1 -20 10 35 o 28.33830 0.6578913 8.044963       0.3715087 7.180815       0.5205180 8.942257       0.5304070 -3.107430      1.315783  
1 1 1 -20 10 36 o 78.23364 0.9247982 61.22243       1.445464  63.09980       2.103761  59.54358       1.989419  2.265419       1.849596  
1 1 1 -20 10 37 o 70.37888 0.8597862 49.37257       1.206010  52.37428       1.798839  46.92171       1.625426  3.862411       1.719572  
1 1 1 -20 10 38 o 70.66664 0.8681105 49.98300       1.226130  51.16399       1.773123  48.90076       1.697377  1.595894       1.736221  
1 1 1 -20 10 39 o 42.78216 0.6963535 18.29989       0.5949872 16.97362       0.8261963 19.72875       0.8575578 -3.218037      1.392707  
1 1 1 -20 10 40 o 6.717958 1.599913  0.3977642      0.2603247 0.5907127      0.3862217 0.2371227      0.3524072 1.843599       3.199825  
1 1 1 -20 10 41 o 51.67945 1.105402  26.78257       1.141975  27.48395       1.646760  26.13281       1.585003  1.300098       2.210804  
1 1 1 -20 10 42 o 15.44836 0.9925337 2.380359       0.2992287 3.166208       0.4444347 1.728755       0.4046976 4.648247       1.985067  
1 1 1 -20 10 43 o 44.53239 0.7173306 19.85983       0.6386885 20.06415       0.9166335 19.66704       0.8904207 0.4436684      1.434661  
1 1 1 -20 10 44 o 32.90174 0.7112401 10.74979       0.4652600 9.270757       0.6285910 12.54181       0.6919113 -4.965303      1.422480  
1 1 1 -20 10 45 o 48.05121 0.7390184 23.13070       0.7100837 23.44930       1.016166  22.82666       0.9926663 0.6455727      1.478037  
1 1 1 -20 10 46 o 20.03494 0.8940460 4.003857       0.3528332 5.049182       0.5211014 3.118925       0.4794587 4.812180       1.788092  
1 1 1 -20 10 47 o 33.17212 0.7423490 10.97187       0.4912317 11.96627       0.7254151 10.12968       0.6675943 2.762018       1.484698  
1 1 1 -20 10 48 o 23.16440 0.8452269 5.379615       0.3910018 5.427826       0.5698231 5.336717       0.5375106 0.1925583      1.690454  
1 1 1 -20 10 49 o 63.84948 0.8552660 40.89673       1.091816  41.37704       1.567500  40.44411       1.521641  0.7239723      1.710532  
1 1 1 -20 10 50 o 66.87943 0.8853025 44.79107       1.181921  46.65349       1.737423  43.18678       1.612533  2.572273       1.770605  
1 1 1 -20 10 51 o 68.87988 1.087347  47.76643       1.419084  47.60845       2.430408  47.84815       1.747995  -0.3050308     2.174693  
1 1 1 -20 10 52 o 43.63282 1.091108  19.16456       0.9453041 19.14235       1.424216  19.18205       1.263832  -0.7927704E-01 2.182217  
1 1 1 -20 10 53 o 10.13324 2.232974  1.072595       0.4982456 0.7997385      0.8504061 1.215215       0.6148224 -1.152307      4.465949  
1 1 1 -20 10 54 o 24.00595 1.324696  5.884467       0.6193819 5.556731       0.9799432 6.102501       0.7992846 -1.189676      2.649391  
1 1 1 -20 10 55 f 34.98103 1.188761  12.44295       0.8154943 11.81861       1.267501  12.88394       1.065253  -1.576031      2.377521  
1 1 1 -20 10 56 o 53.68919 1.183593  29.08655       1.266331  29.26313       1.874499  28.93832       1.717505  0.2577629      2.367185  
1 1 1 -20 10 57 o 23.68704 1.472535  5.883389       0.6716974 4.809650       1.039934  6.652001       0.8798542 -3.945679      2.945070  
1 1 1 -20 10 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 11 1  o 34.85897 0.9784600 12.15802       0.6819299 12.60849       0.9715115 11.72051       0.9574319 1.273300       1.956920  
1 1 1 -20 11 2  o 39.85819 0.9771596 15.74798       0.7751127 17.97575       1.159435  13.94776       1.042255  5.049904       1.954319  
1 1 1 -20 11 3  o 135.2550 2.070089  183.4953       5.599693  184.3026       7.948515  182.6998       7.890131  0.5894470      4.140177  
1 1 1 -20 11 4  o 117.1241 1.819617  136.9330       4.248861  144.3127       6.320325  130.8479       5.739214  5.721947       3.639233  
1 1 1 -20 11 5  o 26.95908 1.014257  7.261690       0.5419425 8.659840       0.7880360 6.007061       0.7464948 4.918999       2.028514  
1 1 1 -20 11 6  f 68.21879 1.198149  46.22732       1.627307  50.33979       2.448231  42.97230       2.178100  5.392166       2.396298  
1 1 1 -20 11 7  f 73.00430 1.249445  53.16022       1.820250  56.19807       2.685937  50.58000       2.475380  3.841530       2.498890  
1 1 1 -20 11 8  o 89.83874 1.259437  79.60995       2.082288  83.81134       3.821595  77.83592       2.483295  3.286453       2.518875  
1 1 1 -20 11 9  o 143.4274 1.530474  205.9424       4.388649  209.3426       6.309490  202.7555       6.108369  2.289047       3.060947  
1 1 1 -20 11 10 o 149.9777 1.597046  225.3152       4.790391  226.0171       6.790749  224.6199       6.758638  0.4645996      3.194093  
1 1 1 -20 11 11 o 99.63918 1.100143  98.58431       2.179169  106.2261       3.307985  92.72559       2.896473  6.763840       2.200286  
1 1 1 -20 11 12 o 76.71310 0.8867887 58.80577       1.359299  57.23661       1.873935  60.54822       1.974700  -2.156273      1.773577  
1 1 1 -20 11 13 o 40.53846 0.6163009 15.69921       0.4876991 20.19163       0.8026710 13.07016       0.6140398 8.780720       1.232602  
1 1 1 -20 11 14 o 110.8631 1.209924  122.3523       2.670824  116.2361       3.579983  130.0295       4.010868  -6.207626      2.419849  
1 1 1 -20 11 15 o 47.40862 0.6589367 22.47328       0.6245698 22.83660       0.8976012 22.13226       0.8696135 0.7423477      1.317873  
1 1 1 -20 11 16 o 102.7787 1.135053  105.4380       2.327896  101.5196       3.166309  110.0478       3.434280  -4.140465      2.270107  
1 1 1 -20 11 17 f 114.8145 1.513695  133.2353       3.337597  127.8024       5.498281  136.4054       4.199914  -3.802383      3.027390  
1 1 1 -20 11 18 f 86.39911 1.610128  71.66283       2.297141  80.46623       5.056692  69.37368       2.578565  6.302040       3.220257  
1 1 1 -20 11 19 o 86.95928 1.364920  75.72862       2.373420  76.59904       3.395572  74.89713       3.318791  0.9752350      2.729839  
1 1 1 -20 11 20 o 103.9530 1.600645  108.2712       3.326423  109.9124       4.787693  106.7396       4.625067  1.517509       3.201290  
1 1 1 -20 11 21 o 83.26341 1.317484  69.34493       2.191664  67.42712       3.016970  71.48792       3.189155  -2.430885      2.634969  
1 1 1 -20 11 22 o 58.45646 0.8826030 34.25431       0.9917877 34.40450       1.243086  33.99125       1.645123  0.3655968      1.765206  
1 1 1 -20 11 23 o 55.25468 0.7191256 30.08195       0.7872111 33.96000       1.219953  27.31512       1.030453  6.007961       1.438251  
1 1 1 -20 11 24 o 137.1814 1.474194  188.4254       4.040618  183.8516       5.567317  193.5162       5.873570  -3.504410      2.948387  
1 1 1 -20 11 25 o 14.74119 0.7724358 2.177797       0.2273495 2.045629       0.3230135 2.307550       0.3200486 -0.8884983     1.544872  
1 1 1 -20 11 26 o 77.50589 0.9034752 60.13248       1.400473  59.84550       1.974092  60.42324       1.987106  -0.3721695     1.806950  
1 1 1 -20 11 27 o 23.18075 0.6480588 5.393807       0.2994635 5.062608       0.4321907 5.699659       0.4153233 -1.374601      1.296118  
1 1 1 -20 11 28 o 62.35560 0.7776824 38.87448       0.9691187 39.89386       1.404126  37.94712       1.339256  1.558563       1.555365  
1 1 1 -20 11 29 o 75.55716 0.8920556 56.96516       1.344954  59.87857       1.985327  54.49400       1.828449  3.556084       1.784111  
1 1 1 -20 11 30 o 25.87166 0.6505945 6.629547       0.3349154 7.532162       0.5033013 5.912232       0.4486752 3.128805       1.301189  
1 1 1 -20 11 31 o 57.27787 0.7508827 32.82070       0.8599670 32.09882       1.200242  33.58223       1.232764  -1.293579      1.501765  
1 1 1 -20 11 32 o 20.09876 0.7169964 4.015707       0.2871704 4.503097       0.4254224 3.607723       0.3892277 2.225925       1.433993  
1 1 1 -20 11 33 o 31.27679 0.6388864 9.790100       0.3994318 9.775849       0.5741513 9.803466       0.5560474 -0.4489326E-01 1.277773  
1 1 1 -20 11 34 o 46.98941 0.6939622 21.94408       0.6498529 20.04294       0.8769251 24.25989       0.9678489 -4.482712      1.387924  
1 1 1 -20 11 35 o 31.54453 0.6537100 9.945241       0.4119467 10.23315       0.6000667 9.688605       0.5665393 0.8615990      1.307420  
1 1 1 -20 11 36 o 48.06725 0.7003849 22.94285       0.6700990 25.05028       1.009818  21.28471       0.8957324 3.910854       1.400770  
1 1 1 -20 11 37 o 60.45835 0.7855511 36.46434       0.9472169 38.42842       1.404618  34.82619       1.282790  2.971153       1.571102  
1 1 1 -20 11 38 o 22.24862 0.7306724 4.961309       0.3244512 4.878198       0.4721538 5.035667       0.4465986 -0.3555374     1.461345  
1 1 1 -20 11 39 o 21.47204 0.7644981 4.583144       0.3267193 4.967618       0.4925318 4.281023       0.4366084 1.594635       1.528996  
1 1 1 -20 11 40 o 35.53892 0.6832492 12.63626       0.4850268 11.77063       0.6757814 13.55592       0.6965531 -2.510265      1.366498  
1 1 1 -20 11 41 o 56.60213 1.037565  32.31255       1.153485  33.08921       1.506161  31.21087       1.793840  1.691311       2.075130  
1 1 1 -20 11 42 o 32.00623 0.7080932 10.26558       0.4521647 9.354300       0.6339523 11.20921       0.6451087 -2.896818      1.416186  
1 1 1 -20 11 43 f 20.47830 0.8512841 4.214541       0.3477388 3.910760       0.4959192 4.508380       0.4877367 -1.460018      1.702568  
1 1 1 -20 11 44 f 53.91315 0.7675968 29.06125       0.8262632 30.27835       1.212228  28.00515       1.129210  2.099735       1.535194  
1 1 1 -20 11 45 o 16.49716 1.072765  2.714723       0.3469890 2.827735       0.5528011 2.641248       0.4457368 0.5495663      2.145530  
1 1 1 -20 11 46 o 27.69162 0.8029444 7.672689       0.4429774 7.861102       0.6594106 7.517733       0.5980098 0.6128731      1.605889  
1 1 1 -20 11 47 f 22.83415 0.9019083 5.335686       0.4025032 4.625389       0.6127456 5.874805       0.5338302 -2.746204      1.803817  
1 1 1 -20 11 48 o 25.64711 0.8516501 6.525401       0.4317137 7.069438       0.6737590 6.146455       0.5623129 1.783875       1.703300  
1 1 1 -20 11 49 o 25.79779 0.8702433 6.671030       0.4458527 6.757633       0.6735071 6.603474       0.5948544 0.2867661      1.740487  
1 1 1 -20 11 50 f 35.73884 0.9518312 12.41536       0.6226285 13.86031       1.168411  11.84232       0.7358041 2.751015       1.903662  
1 1 1 -20 11 51 o 42.00823 1.076586  17.77477       0.8981599 17.59252       1.348793  17.91997       1.203900  -0.4190865     2.153173  
1 1 1 -20 11 52 o 26.92315 1.194639  7.127144       0.6272558 8.101933       1.030762  6.553873       0.7904664 2.817644       2.389278  
1 1 1 -20 11 53 o 27.80932 1.195658  7.856148       0.6512270 7.520235       1.018506  8.088449       0.8469825 -1.066158      2.391315  
1 1 1 -20 11 54 o 9.409031 2.259243  0.8659170      0.4950930 0.6430952      0.8800546 0.9690898      0.5988432 -0.4914618     4.518485  
1 1 1 -20 11 55 o 23.09845 1.379348  5.163579       0.6228098 6.721755       1.016583  4.227318       0.7880133 5.325922       2.758696  
1 1 1 -20 11 56 o 49.90612 1.162588  25.12957       1.155737  25.33533       1.716010  24.95875       1.563529  0.3325653      2.325176  
1 1 1 -20 11 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 12 1  o 90.06230 1.465918  81.11448       2.637039  84.25129       3.851093  78.34521       3.618443  3.267876       2.931837  
1 1 1 -20 12 2  o 48.61134 1.030246  23.64756       1.001388  23.42500       1.398226  23.88192       1.434836  -0.4687843     2.060492  
1 1 1 -20 12 3  f 73.71552 1.267101  54.00746       1.859441  58.63167       2.799370  50.35627       2.487468  5.600983       2.534201  
1 1 1 -20 12 4  o 69.49201 1.220414  48.31589       1.695092  47.40350       2.347474  49.30995       2.450274  -1.367966      2.440828  
1 1 1 -20 12 5  o 63.48486 1.153540  40.05563       1.458655  43.64576       2.187016  37.17894       1.957683  5.085476       2.307079  
1 1 1 -20 12 6  o 58.38052 1.099281  33.69734       1.273173  30.99534       1.675709  37.38709       1.958192  -5.465298      2.198562  
1 1 1 -20 12 7  o 47.85864 1.012215  22.91389       0.9684978 23.82330       1.383779  22.04067       1.355970  1.861588       2.024430  
1 1 1 -20 12 8  o 28.08147 0.8246259 8.113079       0.3746028 8.277094       0.4226316 7.511991       0.8090752 1.370752       1.649252  
1 1 1 -20 12 9  o 71.11408 1.231281  50.56923       1.749874  52.23877       2.536509  49.05306       2.417191  2.235703       2.462562  
1 1 1 -20 12 10 o 111.5065 1.748480  123.5190       3.872264  133.9057       5.911505  115.7130       5.124785  8.118568       3.496961  
1 1 1 -20 12 11 o 112.8822 1.766746  127.6887       3.987319  129.8946       5.730415  125.6182       5.551672  1.885117       3.533493  
1 1 1 -20 12 12 o 259.3873 3.374801  670.9498       16.17565  700.7065       29.38738  658.0156       19.37477  7.255112       6.749602  
1 1 1 -20 12 13 o 78.08414 0.9805790 61.15482       1.516768  60.01924       2.298457  62.03084       2.018732  -1.296280      1.961158  
1 1 1 -20 12 14 o 126.8045 1.681334  158.2519       3.928858  168.7193       7.213141  153.8365       4.684776  5.739555       3.362669  
1 1 1 -20 12 15 o 80.70425 1.276017  65.12453       2.057071  67.19422       3.000108  63.28813       2.825972  2.412987       2.552034  
1 1 1 -20 12 16 o 65.74975 1.084542  42.85073       1.416056  46.77516       2.164640  39.91493       1.872242  5.206631       2.169084  
1 1 1 -20 12 17 o 65.04340 1.078225  41.93247       1.392418  45.74964       2.130609  39.08673       1.839631  5.111481       2.156450  
1 1 1 -20 12 18 o 92.70529 1.261078  85.73940       2.208463  85.06609       2.704772  87.08609       3.825261  -1.042480      2.522157  
1 1 1 -20 12 19 f 146.9566 1.572919  216.3557       4.620616  212.8379       6.412722  220.1541       6.663570  -2.475693      3.145838  
1 1 1 -20 12 20 o 15.71602 0.7423381 2.464343       0.2324430 2.547506       0.3464431 2.396257       0.3134722 0.4803238      1.484676  
1 1 1 -20 12 21 o 100.4897 1.114961  101.1004       2.240566  102.1011       3.199090  100.1369       3.139041  0.9748154      2.229922  
1 1 1 -20 12 22 o 117.5435 1.281064  137.9934       3.004018  132.6698       4.077770  144.3112       4.442236  -4.932732      2.562128  
1 1 1 -20 12 23 o 9.585988 1.151910  0.9352267      0.2140943 0.9345855      0.3235891 0.9357260      0.2855214 -0.1615677     2.303820  
1 1 1 -20 12 24 o 89.27370 1.013959  79.66322       1.807988  77.26292       2.480736  82.38262       2.640497  -2.860130      2.027918  
1 1 1 -20 12 25 o 66.50044 0.8156754 44.23090       1.084130  45.05266       1.567426  43.47722       1.501107  1.182045       1.631351  
1 1 1 -20 12 26 f 82.17814 0.9496810 67.47995       1.558644  65.21619       2.136195  70.05708       2.279266  -2.938858      1.899362  
1 1 1 -20 12 27 o 37.62178 0.6389845 14.15291       0.4803245 14.36254       0.6969671 13.96328       0.6628772 0.5295219      1.277969  
1 1 1 -20 12 28 o 67.15897 0.8260893 45.07347       1.108227  46.61867       1.616521  43.70322       1.522263  2.166458       1.652179  
1 1 1 -20 12 29 o 20.88015 0.8443021 4.011662       0.3355967 5.605846       0.5979494 3.278580       0.4054818 5.564039       1.688604  
1 1 1 -20 12 30 o 31.52331 0.6484532 9.937250       0.4071557 8.760784       0.5656990 11.20171       0.5864730 -3.870869      1.296906  
1 1 1 -20 12 31 o 16.84405 0.8773361 2.977283       0.2815731 2.105942       0.4205350 3.685344       0.3790910 -4.690412      1.754672  
1 1 1 -20 12 32 f 54.84444 0.7411074 30.09010       0.8126360 29.17531       1.132687  31.06038       1.166542  -1.716881      1.482215  
1 1 1 -20 12 33 o 21.69054 0.7393640 4.604381       0.3170483 5.490332       0.4952840 3.989300       0.4126822 3.455812       1.478728  
1 1 1 -20 12 34 o 17.37862 0.8483071 2.986547       0.2906009 3.241376       0.4583293 2.815232       0.3757946 1.221083       1.696614  
1 1 1 -20 12 35 o 53.76501 0.7407714 28.93201       0.7962034 29.26087       1.145653  28.62478       1.107328  0.5893250      1.481543  
1 1 1 -20 12 36 o 5.844754 1.595895  0.2028537      0.2628275 0.3225485      0.4089835 0.1186458      0.3430401 1.198903       3.191789  
1 1 1 -20 12 37 o 68.40897 0.8505701 46.61756       1.158585  49.61336       1.739971  44.23127       1.552911  3.919510       1.701140  
1 1 1 -20 12 38 o 57.84574 0.7789306 33.48381       0.9001033 34.18882       1.310257  32.85377       1.238637  1.148468       1.557861  
1 1 1 -20 12 39 o 30.94385 0.7143950 9.584572       0.4394139 9.635359       0.6597279 9.544077       0.5891024 0.1422310      1.428790  
1 1 1 -20 12 40 f 49.02011 0.7451765 23.95720       0.7287366 21.90947       0.9943460 26.33330       1.071108  -4.506073      1.490353  
1 1 1 -20 12 41 o 38.38914 0.7209938 14.71437       0.5507252 15.21813       0.8274215 14.31369       0.7379251 1.170494       1.441988  
1 1 1 -20 12 42 o 15.02876 1.178625  2.438146       0.3273677 1.484186       0.4879516 3.219005       0.4414665 -5.777969      2.357250  
1 1 1 -20 12 43 o 43.84594 0.7392167 19.22870       0.6469063 19.78944       0.9509641 18.74570       0.8825852 1.183540       1.478433  
1 1 1 -20 12 44 o 10.43400 1.601417  1.124095       0.3203675 1.247897       0.5051952 1.040821       0.4143327 0.9334784      3.202834  
1 1 1 -20 12 45 o 15.37415 1.136835  2.338030       0.3463229 2.663475       0.5361905 2.105078       0.4536430 1.802547       2.273669  
1 1 1 -20 12 46 o 11.08727 1.624144  1.293191       0.3424425 1.251882       0.5423300 1.320581       0.4416138 -0.3695784     3.248289  
1 1 1 -20 12 47 o 36.63123 0.7709820 13.47900       0.5631673 12.26748       0.7954783 14.69640       0.7974029 -3.315132      1.541964  
1 1 1 -20 12 48 o 17.54266 1.111052  3.155812       0.3808801 2.754322       0.5814359 3.457597       0.5040965 -2.019276      2.222104  
1 1 1 -20 12 49 o 22.65722 1.047000  5.268749       0.4537629 4.770762       0.7413285 5.567107       0.5738133 -1.787745      2.093999  
1 1 1 -20 12 50 o 31.49599 1.105882  9.966436       0.6868290 10.08512       1.067036  9.882474       0.8974691 0.2870960      2.211764  
1 1 1 -20 12 51 o 57.79280 1.153170  33.66977       1.330769  33.26805       1.930877  34.03324       1.836640  -0.6835823     2.306341  
1 1 1 -20 12 52 o 65.85396 1.241941  43.76929       1.633867  43.73009       2.367069  43.80497       2.258058  -0.8547974E-01 2.483882  
1 1 1 -20 12 53 o 18.25360 1.543165  3.263368       0.5468318 3.871617       0.9151885 2.925640       0.6819513 2.511435       3.086330  
1 1 1 -20 12 54 o 53.39878 1.159359  28.66587       1.229792  29.57061       1.862328  27.96627       1.637635  1.442623       2.318718  
1 1 1 -20 12 55 o 18.27083 1.690033  3.504721       0.5920318 2.999071       0.9421465 3.834677       0.7610627 -2.361181      3.380066  
1 1 1 -20 12 56 o 20.35973 2.103651  4.346129       0.7198855 4.291849       1.420250  4.364897       0.8351135 -0.7763557     4.207302  
1 1 1 -20 13 1  o 100.4904 1.606214  101.1988       3.227050  99.73883       4.493051  102.7545       4.637869  -1.492332      3.212427  
1 1 1 -20 13 2  o 66.98170 1.196532  44.73807       1.598938  47.62793       2.365415  42.30660       2.169717  3.964188       2.393064  
1 1 1 -20 13 3  o 177.8654 2.687588  318.5434       9.560283  317.2951       13.45745  319.8152       13.58400  -0.6968842     5.375176  
1 1 1 -20 13 4  o 83.65337 1.390801  69.97243       2.323787  72.63437       3.394981  67.62593       3.187486  2.983849       2.781602  
1 1 1 -20 13 5  o 97.14041 1.559719  94.29964       3.023073  90.75179       4.108754  98.48720       4.463829  -3.963036      3.119439  
1 1 1 -20 13 6  o 45.50506 1.000948  20.72618       0.9109107 21.03732       1.291566  20.41825       1.284904  0.6800041      2.001896  
1 1 1 -20 13 7  o 133.4732 2.053856  178.1703       5.465223  170.8047       7.384052  187.0931       8.127277  -6.051147      4.107712  
1 1 1 -20 13 8  o 65.21229 1.175001  42.58267       1.532436  42.78280       2.161482  42.38041       2.172948  0.3089600      2.350002  
1 1 1 -20 13 9  o 86.56670 0.9769335 74.74271       1.686906  71.62155       2.287096  78.46643       2.498138  -3.946701      1.953867  
1 1 1 -20 13 10 o 72.64024 0.8520200 52.77903       1.237392  53.63357       1.778298  51.97691       1.722890  1.138756       1.704040  
1 1 1 -20 13 11 f 149.8155 1.964174  222.1912       5.451649  233.3950       9.877875  217.2837       6.537479  5.161560       3.928348  
1 1 1 -20 13 12 f 123.8965 1.873320  153.7937       4.636632  149.6884       6.376112  158.4010       6.754623  -3.492325      3.746640  
1 1 1 -20 13 13 f 158.5318 3.360620  252.6763       10.65530  252.6763       10.65530  ?              ?         ?              ?         
1 1 1 -20 13 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 13 15 o 23.06261 1.656585  5.325945       0.7641036 5.325945       0.7641036 ?              ?         ?              ?         
1 1 1 -20 13 16 o 96.78526 1.562568  93.88010       3.024031  92.92651       4.225376  94.88142       4.329788  -1.004196      3.125137  
1 1 1 -20 13 17 o 46.98680 1.015998  22.10125       0.9547544 21.94077       1.349385  22.26214       1.351069  -0.3419228     2.031996  
1 1 1 -20 13 18 o 83.51807 1.182530  70.86183       1.887321  66.34704       3.122661  73.46023       2.368968  -4.292313      2.365060  
1 1 1 -20 13 19 f 70.67984 0.9165862 49.82962       1.274253  50.95944       2.001982  49.06017       1.652127  1.330421       1.833172  
1 1 1 -20 13 20 o 42.56651 0.6413130 17.90771       0.5420427 19.99356       0.8296422 16.35423       0.7159835 4.271713       1.282626  
1 1 1 -20 13 21 o 26.28622 0.6177099 6.929573       0.3239025 6.429217       0.4617526 7.414268       0.4544689 -1.873901      1.235420  
1 1 1 -20 13 22 o 91.66081 1.033284  84.11705       1.893971  84.99778       2.705814  83.27102       2.651956  0.9393997      2.066568  
1 1 1 -20 13 23 o 70.83259 0.8483107 50.21916       1.201750  49.97358       1.695417  50.46712       1.703676  -0.3480682     1.696621  
1 1 1 -20 13 24 o 38.15358 0.6371793 14.55302       0.4857646 13.69429       0.6773102 15.46257       0.6970655 -2.316711      1.274359  
1 1 1 -20 13 25 o 107.8740 1.189752  116.5394       2.565794  114.5328       3.566827  118.6914       3.693656  -1.919914      2.379505  
1 1 1 -20 13 26 o 58.10495 0.7521830 33.77726       0.8737542 34.22104       1.256882  33.36222       1.215507  0.7373848      1.504366  
1 1 1 -20 13 27 o 57.99005 1.027039  32.92371       1.174860  29.30072       1.516052  38.37049       1.858877  -7.801044      2.054079  
1 1 1 -20 13 28 f 25.82213 0.6603943 6.612282       0.3391257 7.234531       0.5141236 6.133016       0.4512049 2.130577       1.320789  
1 1 1 -20 13 29 o 129.0349 1.400762  166.7861       3.610530  162.1412       4.960632  172.0187       5.265078  -3.802361      2.801523  
1 1 1 -20 13 30 o 66.90558 0.8292422 44.75772       1.108718  43.31751       1.530683  46.34731       1.608110  -2.260101      1.658484  
1 1 1 -20 13 31 o 77.79291 0.9182624 60.59166       1.428330  59.44709       1.992917  61.80055       2.048141  -1.509102      1.836525  
1 1 1 -20 13 32 o 51.14955 0.7174459 25.88157       0.7285420 28.72761       1.116133  23.76878       0.9616650 4.839615       1.434892  
1 1 1 -20 13 33 o 18.73820 0.8052786 3.486949       0.2998773 3.765836       0.4561380 3.274657       0.3979695 1.307180       1.610557  
1 1 1 -20 13 34 o 19.82383 0.7948927 3.847499       0.3115788 4.690590       0.4830168 3.246663       0.4077588 3.637062       1.589785  
1 1 1 -20 13 35 o 17.04128 0.8685675 2.880637       0.2926022 3.091456       0.4557266 2.732777       0.3816596 1.046898       1.737135  
1 1 1 -20 13 36 o 87.98679 1.018162  77.34835       1.787407  73.82578       2.427502  81.51968       2.641598  -4.352188      2.036324  
1 1 1 -20 13 37 o 31.02689 0.7074997 9.672029       0.4373896 9.172761       0.6361709 10.11961       0.6023392 -1.528259      1.414999  
1 1 1 -20 13 38 o 18.12403 0.9161847 3.207055       0.3274291 4.051079       0.5095142 2.613284       0.4273547 3.958670       1.832369  
1 1 1 -20 13 39 o 7.041220 1.642488  0.4748016      0.2843533 0.1532418      0.4620359 0.6708521      0.3607687 -1.979036      3.284975  
1 1 1 -20 13 40 o 14.43299 1.106606  2.090896       0.3129876 2.094831       0.4949484 2.088274       0.4040262 0.1100445E-01  2.213213  
1 1 1 -20 13 41 o 22.12404 0.8442539 4.773640       0.3682397 5.779525       0.5830073 4.105992       0.4749780 3.770758       1.688508  
1 1 1 -20 13 42 o 25.35583 0.8100077 6.482160       0.4072284 6.121246       0.6073026 6.777025       0.5489275 -1.299404      1.620015  
1 1 1 -20 13 43 o 27.53292 0.7966507 7.408909       0.4325880 8.807752       0.6847611 6.479877       0.5580458 4.213652       1.593301  
1 1 1 -20 13 44 o 34.58010 0.7456217 11.86376       0.5109845 12.85268       0.7883947 11.14742       0.6709997 2.453098       1.491243  
1 1 1 -20 13 45 o 35.40145 0.7582974 12.39178       0.5316885 13.76916       0.8245625 11.41151       0.6956173 3.315502       1.516595  
1 1 1 -20 13 46 o 6.537958 1.803743  0.2708036      0.3343053 0.2244117      0.5419168 0.2993048      0.4247593 0.2786026      3.607485  
1 1 1 -20 13 47 o 32.35172 0.7897729 10.54472       0.5084455 9.446361       0.7253272 11.60587       0.7129340 -3.339249      1.579546  
1 1 1 -20 13 48 o 38.56128 0.8419557 14.74834       0.6318129 15.66094       1.032520  14.20209       0.7988281 1.856972       1.683911  
1 1 1 -20 13 49 o 36.98647 1.001618  13.93947       0.7087187 13.08077       1.170011  14.43715       0.8907248 -1.884068      2.003236  
1 1 1 -20 13 50 o 66.40274 1.233860  44.41971       1.637414  42.12052       2.277474  46.87980       2.355820  -3.564537      2.467721  
1 1 1 -20 13 51 o 64.62505 1.230923  42.10762       1.587269  42.51365       2.330307  41.75620       2.167952  0.5447388      2.461846  
1 1 1 -20 13 52 o 47.76110 1.117471  22.98938       1.065107  21.01994       1.489805  25.04846       1.523331  -4.209045      2.234941  
1 1 1 -20 13 53 o 49.23446 1.133695  24.39442       1.111380  24.90591       1.658888  23.97788       1.497005  0.9009819      2.267390  
1 1 1 -20 13 54 o 42.74488 1.133659  18.51954       0.9632937 17.48214       1.417846  19.40895       1.312815  -2.282837      2.267318  
1 1 1 -20 13 55 o 12.38500 2.257645  1.510238       0.5485210 2.222542       0.9377252 1.139742       0.6762927 3.956269       4.515290  
1 1 1 -20 13 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 14 1  o 21.53423 1.189611  4.672860       0.5063248 5.550174       0.7212867 3.820562       0.7109286 4.015432       2.379222  
1 1 1 -20 14 2  o 71.54578 1.251458  51.05250       1.784763  48.62622       2.407930  54.01055       2.658740  -3.749710      2.502917  
1 1 1 -20 14 3  o 75.98624 1.306370  57.57060       1.979234  61.39697       2.943419  54.41253       2.674048  4.581604       2.612740  
1 1 1 -20 14 4  o 71.05592 1.245742  50.41945       1.766392  48.35822       2.402534  52.84450       2.605958  -3.146912      2.491484  
1 1 1 -20 14 5  o 42.20271 1.008932  17.62396       0.8466031 20.25762       1.276853  15.55784       1.130938  5.562466       2.017864  
1 1 1 -20 14 6  o 41.27976 0.9982887 17.05719       0.8240024 17.55061       1.170780  16.57287       1.159927  1.183884       1.996577  
1 1 1 -20 14 7  f 54.91868 1.088425  30.01244       1.191554  32.59478       1.774767  27.89313       1.607802  4.273800       2.176850  
1 1 1 -20 14 8  f 57.10349 1.583496  0.000000       0.000000  ?              ?         32.65084       1.808463  ?              ?         
1 1 1 -20 14 9  o 61.05460 0.9986366 37.04821       1.213272  34.80809       1.619924  39.91032       1.831062  -4.170616      1.997273  
1 1 1 -20 14 10 o 83.24210 1.299993  68.25789       2.135895  76.42435       3.364583  62.74533       2.764333  8.187317       2.599987  
1 1 1 -20 14 11 o 83.60614 1.306486  69.59814       2.173920  74.21149       3.275089  65.96459       2.906571  4.913818       2.612972  
1 1 1 -20 14 12 o 114.5595 1.495198  133.3592       3.335184  140.3445       4.319753  123.0498       5.247892  7.601036       2.990397  
1 1 1 -20 14 13 o 125.6923 1.359291  158.1382       3.413929  154.4985       4.708926  162.1709       4.956640  -3.038780      2.718582  
1 1 1 -20 14 14 o 48.66680 0.6689844 23.51454       0.6480889 25.57494       0.9761280 21.89030       0.8666756 3.782593       1.337969  
1 1 1 -20 14 15 o 92.18198 1.035821  85.06277       1.909344  84.01647       2.669910  86.15797       2.731586  -1.158867      2.071642  
1 1 1 -20 14 16 o 38.16561 0.8844268 14.51904       0.6476494 14.36653       0.8068254 14.79534       1.085995  -0.5511475     1.768854  
1 1 1 -20 14 17 o 29.29063 0.5999218 8.289523       0.3453741 10.51318       0.5508217 6.848926       0.4433522 6.252131       1.199844  
1 1 1 -20 14 18 o 48.40365 0.6746162 23.44404       0.6529896 23.35414       0.9301431 23.53141       0.9169323 -0.1835098     1.349232  
1 1 1 -20 14 19 o 64.66109 0.9985268 42.68522       1.229715  44.77192       1.543037  39.05304       2.035775  4.444157       1.997054  
1 1 1 -20 14 20 o 57.34784 1.007226  33.27042       1.133876  34.92297       1.490201  30.99814       1.747428  3.433880       2.014452  
1 1 1 -20 14 21 f 25.94940 1.074099  6.738308       0.5571039 7.076734       0.8000156 6.419692       0.7762497 1.264784       2.148197  
1 1 1 -20 14 22 o 47.66587 1.037606  22.55375       0.9846343 25.02693       1.480134  20.59046       1.318762  4.645424       2.075211  
1 1 1 -20 14 23 o 46.77169 1.038163  21.84615       0.9696175 23.10635       1.420202  20.74588       1.327028  2.518425       2.076327  
1 1 1 -20 14 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 14 25 o 56.07122 1.010082  31.10651       1.088095  32.84577       1.833864  30.16154       1.351744  2.367287       2.020164  
1 1 1 -20 14 26 o 116.3887 1.566166  137.5529       3.490056  130.4071       5.768885  141.6780       4.383164  -4.961128      3.132332  
1 1 1 -20 14 27 o 111.0574 1.328229  123.6872       2.916602  123.7773       4.475366  123.6206       3.845346  0.2156067E-01  2.656457  
1 1 1 -20 14 28 o 111.9412 1.235275  125.0110       2.754507  118.9185       3.701335  132.5733       4.123729  -6.065872      2.470549  
1 1 1 -20 14 29 o 82.19118 0.9570341 67.65991       1.572817  68.32049       2.253337  67.03233       2.196356  0.7798691      1.914068  
1 1 1 -20 14 30 o 126.5735 1.378463  160.7517       3.488522  158.4261       4.863159  163.2169       5.007017  -1.878563      2.756926  
1 1 1 -20 14 31 o 26.20050 0.6893542 6.799876       0.3588413 7.488883       0.5472733 6.280249       0.4752671 2.302956       1.378708  
1 1 1 -20 14 32 o 79.87265 0.9414384 63.89680       1.503409  64.84019       2.159548  63.00959       2.094239  1.141129       1.882877  
1 1 1 -20 14 33 o 37.30279 0.6788759 13.76491       0.5029517 15.35244       0.7687640 12.57693       0.6650233 3.714371       1.357752  
1 1 1 -20 14 34 o 50.35037 0.7268686 25.36314       0.7316226 24.38295       1.018775  26.40698       1.051335  -2.007858      1.453737  
1 1 1 -20 14 35 o 38.57263 0.6963810 14.70729       0.5330251 12.46240       0.7130468 17.55058       0.8024756 -6.589649      1.392762  
1 1 1 -20 14 36 o 14.28346 1.098647  2.150670       0.2983505 1.564692       0.4545933 2.594046       0.3954288 -3.609731      2.197295  
1 1 1 -20 14 37 o 55.09495 0.7651783 30.38970       0.8428106 29.22198       1.177386  31.61689       1.206994  -2.171047      1.530357  
1 1 1 -20 14 38 o 17.99928 0.9231182 3.256059       0.3270668 3.204650       0.5076635 3.292539       0.4276460 -0.2523518     1.846236  
1 1 1 -20 14 39 o 43.42721 0.7223040 18.91143       0.6266639 18.03064       0.8909212 19.77394       0.8816250 -2.007942      1.444608  
1 1 1 -20 14 40 o 10.29933 2.169689  1.106565       0.5038646 0.5970463      0.7810179 1.469814       0.6594520 -3.012639      4.339378  
1 1 1 -20 14 41 o 22.08063 0.8679495 4.878061       0.3768902 4.951411       0.5914032 4.827900       0.4890668 0.2678356      1.735899  
1 1 1 -20 14 42 o 25.52119 0.8010721 6.421923       0.4052492 7.386331       0.6258238 5.725520       0.5318044 3.243473       1.602144  
1 1 1 -20 14 43 o 56.99344 0.8030680 32.54305       0.9141853 33.03382       1.331638  32.10555       1.257272  0.8057480      1.606136  
1 1 1 -20 14 44 o 46.05646 0.7658577 21.24898       0.7040243 21.48995       1.031551  21.03887       0.9632368 0.4820061      1.531715  
1 1 1 -20 14 45 o 39.39820 0.7644299 15.44035       0.5986302 16.63663       0.9095019 14.52597       0.7951554 2.664593       1.528860  
1 1 1 -20 14 46 o 24.20868 0.8929594 5.759692       0.4276345 6.817183       0.6662931 5.018968       0.5576416 3.697033       1.785919  
1 1 1 -20 14 47 o 21.06876 1.079340  4.592323       0.4314339 4.029960       0.7104983 4.920796       0.5430064 -2.145205      2.158679  
1 1 1 -20 14 48 o 21.80282 1.210613  4.885430       0.4963289 4.497521       0.8444622 5.090151       0.6134744 -1.409033      2.421226  
1 1 1 -20 14 49 o 41.60601 1.063968  17.49297       0.8804785 16.57990       1.294124  18.27989       1.201408  -2.062344      2.127936  
1 1 1 -20 14 50 o 33.09274 1.100232  11.02540       0.7211145 11.04769       1.099367  11.00856       0.9553508 0.2674484E-01  2.200464  
1 1 1 -20 14 51 o 36.07019 1.103753  13.24722       0.7863826 12.02500       1.174083  14.24161       1.059022  -3.100761      2.207507  
1 1 1 -20 14 52 o 13.27806 2.116165  1.870734       0.5388084 1.924447       0.8619237 1.836280       0.6903143 0.2232256      4.232330  
1 1 1 -20 14 53 o 10.63167 2.205159  0.9007493      0.5298087 2.096726       0.9057872 0.2787845      0.6532022 6.649616       4.410318  
1 1 1 -20 14 54 o 8.414351 2.274630  0.3652737      0.5290439 0.9783000      0.8991523 0.4067583E-01  0.6542844 3.514852       4.549259  
1 1 1 -20 14 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 1  o 18.11640 1.318155  3.301380       0.4757944 3.568487       0.6654050 3.021933       0.6806023 1.509384       2.636309  
1 1 1 -20 15 2  f 33.87175 1.017092  11.40768       0.6865410 10.48387       0.9253410 12.53890       1.023964  -3.028927      2.034184  
1 1 1 -20 15 3  o 71.97842 1.264353  51.91628       1.820098  52.06407       2.569638  51.76749       2.578398  0.2065353      2.528706  
1 1 1 -20 15 4  f 48.49072 1.050725  23.43934       1.016546  21.97384       1.380718  25.17400       1.502176  -3.293995      2.101450  
1 1 1 -20 15 5  o 105.5059 2.385844  0.000000       0.000000  ?              ?         111.7184       5.034411  ?              ?         
1 1 1 -20 15 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 9  o 44.08422 1.276863  17.42615       0.9906034 15.47631       1.129284  23.93451       2.063190  -9.539791      2.553727  
1 1 1 -20 15 10 o 92.69864 1.038084  85.93537       1.922734  88.50647       2.794341  83.62350       2.649731  2.627060       2.076168  
1 1 1 -20 15 11 o 33.02618 0.5731449 10.66841       0.3742978 12.78637       0.5832974 9.185809       0.4880268 5.448626       1.146290  
1 1 1 -20 15 12 o 109.4623 1.200382  119.8457       2.624547  123.7007       3.830533  116.4346       3.603228  3.306656       2.400764  
1 1 1 -20 15 13 o 21.11111 0.5887167 4.470085       0.2477266 4.058388       0.3511564 4.877967       0.3495260 -1.941151      1.177433  
1 1 1 -20 15 14 o 86.32829 0.9819882 74.42986       1.692315  71.69858       2.309508  77.59686       2.486917  -3.408241      1.963976  
1 1 1 -20 15 15 o 58.83898 0.7482050 34.46037       0.8774966 32.49154       1.182993  36.86872       1.308397  -3.715302      1.496410  
1 1 1 -20 15 16 o 77.93018 0.9875397 61.01626       1.533939  64.89929       2.132421  56.85236       2.208199  5.166412       1.975079  
1 1 1 -20 15 17 o 30.98774 0.6002458 9.605465       0.3718939 9.281416       0.5224433 9.938331       0.5295025 -1.059757      1.200492  
1 1 1 -20 15 18 o 127.8668 1.386042  163.5850       3.538454  169.6037       5.190714  158.3601       4.836319  4.372589       2.772085  
1 1 1 -20 15 19 o 49.08268 0.6864621 24.01692       0.6724660 22.71718       0.9156795 25.53857       0.9907746 -2.871521      1.372924  
1 1 1 -20 15 20 o 26.55679 0.6307249 7.080231       0.3328857 6.131282       0.4685805 8.047136       0.4729934 -3.606947      1.261450  
1 1 1 -20 15 21 o 54.18061 0.9572451 29.32832       1.035266  30.42891       1.521962  28.38055       1.412349  1.884735       1.914490  
1 1 1 -20 15 22 o 64.18227 0.8067828 41.12542       1.033813  39.47259       1.411992  43.03523       1.517802  -2.770790      1.613566  
1 1 1 -20 15 23 o 17.70967 0.7376321 3.103595       0.2588788 3.393371       0.3998858 2.894529       0.3396620 1.405939       1.475264  
1 1 1 -20 15 24 o 94.99889 1.071271  90.38972       2.034968  91.58659       2.914083  89.25056       2.842992  1.225166       2.142543  
1 1 1 -20 15 25 o 18.76991 0.7767025 3.592748       0.2853528 2.807490       0.4104039 4.327654       0.3970279 -4.050085      1.553405  
1 1 1 -20 15 26 f 124.0960 1.352593  154.4910       3.356570  155.9824       4.794652  153.0575       4.700562  1.170189       2.705186  
1 1 1 -20 15 27 f 62.26588 0.8712168 37.82604       1.047411  35.24076       1.300889  42.59089       1.766081  -5.874035      1.742434  
1 1 1 -20 15 28 f 99.64549 1.390198  99.67996       2.595062  99.69344       3.159132  99.65195       4.550471  0.1542587      2.780397  
1 1 1 -20 15 29 o 72.46806 1.104143  52.41348       1.485088  52.02736       1.789667  53.26725       2.661248  -0.7880325     2.208287  
1 1 1 -20 15 30 o 38.75421 1.061896  15.03561       0.8225008 15.73140       1.188057  14.39517       1.139825  1.720020       2.123791  
1 1 1 -20 15 31 f 54.76968 1.122116  30.08547       1.229149  30.17791       1.736648  29.99268       1.739914  0.1693993      2.244233  
1 1 1 -20 15 32 o 41.41186 1.054456  17.15954       0.8723140 16.10935       1.204489  18.31792       1.265013  -2.661083      2.108913  
1 1 1 -20 15 33 o 35.31899 1.052527  12.48586       0.7425787 13.00025       1.083378  12.03004       1.019830  1.367317       2.105054  
1 1 1 -20 15 34 f 37.87442 1.066509  14.16169       0.8013161 16.42962       1.229648  12.48769       1.056436  5.185352       2.133018  
1 1 1 -20 15 35 o 32.93544 1.107330  10.81382       0.7268170 11.80334       1.084638  10.00736       0.9791816 2.714296       2.214661  
1 1 1 -20 15 36 o 20.70995 1.361150  4.364984       0.5553450 3.545728       0.7926186 5.154968       0.7783293 -3.887257      2.722299  
1 1 1 -20 15 37 o 27.01752 1.207791  7.333791       0.6517498 7.338329       0.9467055 7.329703       0.8986015 0.9304047E-02  2.415582  
1 1 1 -20 15 38 o 55.93332 1.170224  31.43559       1.308966  31.05493       1.855495  31.81272       1.846850  -0.6786308     2.340447  
1 1 1 -20 15 39 o 12.21925 2.211045  1.566988       0.5340880 1.614584       0.8523386 1.536218       0.6853179 0.3087034      4.422090  
1 1 1 -20 15 40 o 15.09042 1.826275  2.338925       0.5281028 2.362313       0.8327482 2.323191       0.6830139 -0.1566658     3.652550  
1 1 1 -20 15 41 o 17.97536 1.919474  3.687297       0.6051237 1.815782       0.8952721 5.261480       0.8210813 -9.781412      3.838948  
1 1 1 -20 15 42 o 31.48959 1.227091  10.01530       0.7691032 9.503610       1.126313  10.46234       1.052761  -1.535389      2.454182  
1 1 1 -20 15 43 o 44.02811 1.170853  19.33764       1.026584  17.24722       1.385407  21.88309       1.528775  -5.239758      2.341705  
1 1 1 -20 15 44 o 48.12709 1.171399  23.31081       1.127410  23.11133       1.601028  23.50702       1.587852  -0.4135971     2.342797  
1 1 1 -20 15 45 o 30.79072 1.274493  9.570762       0.7826700 9.352800       1.142754  9.763338       1.074153  -0.6819630     2.548987  
1 1 1 -20 15 46 o 50.38943 1.634272  25.78173       1.638071  25.19106       2.430611  26.27324       2.217230  -1.135265      3.268545  
1 1 1 -20 15 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 15 53 o 16.56607 4.244437  3.026363       1.412598  3.026363       1.412598  ?              ?         ?              ?         
1 1 1 -20 15 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 16 1  f 73.42114 1.289638  53.96497       1.891683  52.53293       2.603231  55.56721       2.753582  -2.056213      2.579276  
1 1 1 -20 16 2  o 19.11856 2.005484  0.000000       0.000000  ?              ?         3.665897       0.7668393 ?              ?         
1 1 1 -20 16 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 16 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 16 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 16 6  o 135.2754 2.559245  186.6634       6.637971  192.0986       8.352085  177.3428       10.93727  5.773758       5.118490  
1 1 1 -20 16 7  o 82.98036 1.401991  69.03113       2.326365  68.36524       3.254677  69.72672       3.326451  -0.8154449     2.803981  
1 1 1 -20 16 8  o 65.49343 1.202738  42.81090       1.571760  45.44447       2.321821  40.58313       2.135463  3.700405       2.405476  
1 1 1 -20 16 9  o 66.03792 1.212574  43.69911       1.601490  43.90895       2.262387  43.48837       2.267321  0.3187332      2.425147  
1 1 1 -20 16 10 o 22.26909 0.5323678 4.945808       0.2361850 4.363267       0.3250679 5.597217       0.3437461 -2.770058      1.064736  
1 1 1 -20 16 11 o 101.4817 1.124054  103.1177       2.280599  104.8935       3.278809  101.4533       3.174240  1.689240       2.248108  
1 1 1 -20 16 12 o 118.4686 1.291268  140.2610       3.052467  146.5569       4.504784  134.9161       4.150615  4.890327       2.582537  
1 1 1 -20 16 13 o 113.5295 1.243173  129.1696       2.822694  128.7871       3.978996  129.5572       4.004915  -0.3375397     2.486346  
1 1 1 -20 16 14 o 93.09467 1.047489  86.70168       1.948602  89.11584       2.828336  84.52042       2.688461  2.460686       2.094978  
1 1 1 -20 16 15 o 116.6260 1.274471  136.1259       2.968980  132.3473       4.077491  140.3900       4.331561  -3.431351      2.548942  
1 1 1 -20 16 16 o 104.3463 1.156947  109.0784       2.414118  108.0003       3.379860  110.2012       3.449358  -1.050377      2.313893  
1 1 1 -20 16 17 f 87.48669 1.371838  76.67330       2.398541  74.72300       3.314628  78.81709       3.475160  -2.328094      2.743675  
1 1 1 -20 16 18 o 88.87105 1.272718  79.58358       2.249406  74.11335       3.286595  84.40401       3.085225  -5.803429      2.545436  
1 1 1 -20 16 19 o 56.12100 0.7386640 31.15840       0.8230436 34.52721       1.260425  28.65416       1.086716  5.225464       1.477328  
1 1 1 -20 16 20 o 55.52059 0.7393727 30.72984       0.8189874 29.18088       1.111534  32.56945       1.211338  -3.047527      1.478745  
1 1 1 -20 16 21 o 72.55580 0.8706434 52.33409       1.257537  49.02035       1.682357  56.52999       1.893088  -5.164543      1.741287  
1 1 1 -20 16 22 o 54.75253 0.7280835 29.89155       0.7956181 28.25493       1.083261  31.80847       1.172362  -3.241192      1.456167  
1 1 1 -20 16 23 f 86.16103 0.9906590 74.36666       1.707094  73.97842       2.405585  74.76051       2.422901  -0.4527588     1.981318  
1 1 1 -20 16 24 o 87.56200 1.003309  76.52589       1.752164  73.09375       2.373135  80.63918       2.597967  -4.293221      2.006618  
1 1 1 -20 16 25 o 46.15459 0.6825734 21.28344       0.6295037 20.25447       0.8694158 22.41733       0.9126632 -2.340984      1.365147  
1 1 1 -20 16 26 o 59.33853 0.7756994 35.17569       0.9192941 36.67718       1.344170  33.85624       1.260059  2.372414       1.551399  
1 1 1 -20 16 27 o 72.55899 0.8776188 52.73140       1.273575  52.51569       1.800997  52.94715       1.801217  -0.2973022     1.755238  
1 1 1 -20 16 28 o 85.26866 0.9891066 72.26994       1.676259  78.03126       2.548385  67.87621       2.225469  5.929710       1.978213  
1 1 1 -20 16 29 f 35.92931 0.6629469 12.94048       0.4754915 12.57207       0.6879002 13.27755       0.6579896 -0.9834023     1.325894  
1 1 1 -20 16 30 o 41.93959 0.6807838 17.59072       0.5701224 17.92038       0.8333441 17.30067       0.7816830 0.7357864      1.361568  
1 1 1 -20 16 31 o 48.00017 0.7132963 23.07057       0.6845556 22.31406       0.9641557 23.83962       0.9721089 -1.588600      1.426593  
1 1 1 -20 16 32 f 47.27045 0.7126980 22.33049       0.6726978 23.15502       0.9857817 21.61191       0.9202700 1.627571       1.425396  
1 1 1 -20 16 33 o 72.92179 0.8902549 53.17363       1.296032  55.31845       1.903296  51.31929       1.769717  2.729691       1.780510  
1 1 1 -20 16 34 o 35.34935 0.6899548 12.43895       0.4855345 13.26433       0.7302403 11.78492       0.6500358 2.086658       1.379910  
1 1 1 -20 16 35 o 68.99039 0.8645551 47.69319       1.192495  48.29203       1.713497  47.13073       1.660630  0.8365097      1.729110  
1 1 1 -20 16 36 o 36.48805 0.7055343 13.33615       0.5128083 13.33436       0.7599440 13.33764       0.6948594 -0.9925842E-02 1.411069  
1 1 1 -20 16 37 f 68.27068 0.8654696 46.72559       1.181343  47.00696       1.694529  46.45953       1.647793  0.3958588      1.730939  
1 1 1 -20 16 38 o 23.46771 0.8344339 5.652161       0.3822370 4.463418       0.5596337 6.691643       0.5233211 -4.751352      1.668868  
1 1 1 -20 16 39 o 30.05852 0.9342899 9.099021       0.5577272 8.754038       0.8306342 9.382242       0.7526153 -1.054852      1.868580  
1 1 1 -20 16 40 o 59.45734 0.8145164 35.26143       0.9660636 32.56643       1.312649  38.44613       1.426936  -4.931339      1.629033  
1 1 1 -20 16 41 o 61.69663 0.8331220 38.16450       1.027757  36.97292       1.442154  39.39422       1.465053  -1.959476      1.666244  
1 1 1 -20 16 42 o 25.51862 0.8603867 6.739239       0.4241601 4.935619       0.6174069 8.351388       0.5837159 -6.696957      1.720773  
1 1 1 -20 16 43 f 37.31656 0.7574073 14.00579       0.5631771 13.35043       0.8205873 14.58934       0.7743295 -1.665844      1.514815  
1 1 1 -20 16 44 f 53.20723 0.8091897 28.42745       0.8601605 27.73479       1.236094  29.07776       1.197715  -1.267475      1.618379  
1 1 1 -20 16 45 o 40.79821 0.9558236 16.70087       0.7522863 16.79804       1.241282  16.64447       0.9457700 0.1385994      1.911647  
1 1 1 -20 16 46 o 34.64947 1.041139  12.21474       0.7121285 10.94660       1.060521  13.25608       0.9610191 -3.351742      2.082279  
1 1 1 -20 16 47 f 57.43392 1.133176  32.92849       1.289704  35.33506       1.988173  31.18009       1.694628  3.551113       2.266352  
1 1 1 -20 16 48 o 58.75873 1.154739  34.76283       1.351659  35.17142       2.007719  34.42413       1.827969  0.5927658      2.309478  
1 1 1 -20 16 49 o 54.63555 1.120688  29.23001       1.196881  34.09936       1.958793  26.32882       1.511963  6.999432       2.241377  
1 1 1 -20 16 50 f 12.18781 2.000162  1.666186       0.4840164 1.058637       0.7985120 2.019061       0.6085562 -3.835217      4.000324  
1 1 1 -20 16 51 o 36.67699 1.095208  12.99518       0.7798601 15.95199       1.308826  11.36754       0.9710647 6.160542       2.190417  
1 1 1 -20 16 52 o 18.23367 1.600542  3.261706       0.5600835 3.820513       0.9639006 2.976865       0.6881807 2.203217       3.201083  
1 1 1 -20 16 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 17 10 o 93.79708 1.445695  88.14867       2.709361  85.88592       3.732876  90.66773       3.938628  -2.532913      2.891389  
1 1 1 -20 17 11 o 38.27874 0.7374840 14.60755       0.5634919 13.65468       0.7692178 15.71108       0.8277988 -2.683746      1.474968  
1 1 1 -20 17 12 o 139.2122 1.501699  194.2822       4.177862  199.1336       6.053737  189.8702       5.773030  3.304092       3.003399  
1 1 1 -20 17 13 o 125.9496 1.367926  158.8560       3.441663  163.7184       5.017258  154.5346       4.729932  3.624275       2.735852  
1 1 1 -20 17 14 o 94.47899 1.063144  89.35638       2.007838  91.30883       2.897068  87.55174       2.785253  1.981750       2.126288  
1 1 1 -20 17 15 o 35.28472 0.6074563 12.45206       0.4283329 12.58440       0.6197224 12.33101       0.5926898 0.3581505      1.214913  
1 1 1 -20 17 16 o 59.22420 0.7554013 35.10369       0.8946769 35.35319       1.275679  34.86217       1.255100  0.4136581      1.510803  
1 1 1 -20 17 17 o 52.73546 0.7101405 27.81261       0.7485818 28.43528       1.080550  27.23798       1.038038  1.133442       1.420281  
1 1 1 -20 17 18 o 58.97869 0.7579046 34.13494       0.8826237 39.12317       1.390110  30.76576       1.142453  7.073772       1.515809  
1 1 1 -20 17 19 o 38.21582 0.6344529 14.59120       0.4842428 13.54300       0.6713828 15.72775       0.6991034 -2.857327      1.268906  
1 1 1 -20 17 20 f 50.52856 0.7008080 24.63758       0.6925606 30.06591       1.134240  21.41069       0.8745074 8.552555       1.401616  
1 1 1 -20 17 21 o 58.03097 0.7543383 33.62883       0.8739794 35.10469       1.282851  32.35049       1.193922  2.368393       1.508677  
1 1 1 -20 17 22 o 37.14426 0.6378463 13.52069       0.4683320 15.78391       0.7336995 11.96446       0.6084015 5.135750       1.275693  
1 1 1 -20 17 23 o 62.35874 0.7924501 38.40792       0.9793620 42.80872       1.514393  35.24430       1.284001  6.052444       1.584900  
1 1 1 -20 17 24 o 70.38111 0.8576673 49.52896       1.206042  47.90827       1.660388  51.33902       1.754719  -2.431473      1.715335  
1 1 1 -20 17 25 o 13.60164 0.9610770 1.763869       0.2510367 2.663507       0.4022792 1.190088       0.3212671 5.410528       1.922154  
1 1 1 -20 17 26 o 60.42633 0.7839078 36.55880       0.9472922 35.95189       1.330482  37.18277       1.349057  -1.017319      1.567816  
1 1 1 -20 17 27 o 106.0065 1.182765  112.3878       2.501411  117.6547       3.697816  107.9445       3.396429  4.550102       2.365531  
1 1 1 -20 17 28 f 55.92949 0.7533368 31.32577       0.8425877 31.26922       1.199674  31.38082       1.183685  -0.1008224     1.506674  
1 1 1 -20 17 29 o 74.53201 0.8994807 55.63438       1.340021  56.61178       1.934556  54.73289       1.857917  1.254044       1.798961  
1 1 1 -20 17 30 o 15.46629 0.9496780 2.494315       0.2819213 1.934005       0.4314773 2.911711       0.3724069 -3.166186      1.899356  
1 1 1 -20 17 31 o 73.67699 0.8971039 54.40745       1.321775  54.68806       1.885178  54.13610       1.853763  0.3716431      1.794208  
1 1 1 -20 17 32 o 52.17932 0.7448919 27.27490       0.7772489 26.75473       1.099478  27.79453       1.098914  -0.9964180     1.489784  
1 1 1 -20 17 33 o 33.90431 0.6888514 11.51052       0.4660515 11.53686       0.6827130 11.48754       0.6377723 0.6930161E-01  1.377703  
1 1 1 -20 17 34 o 41.07342 0.7006148 16.80523       0.5729894 17.84509       0.8603253 15.97626       0.7681456 2.267406       1.401230  
1 1 1 -20 17 35 o 13.31474 1.124418  1.760107       0.2929375 1.877426       0.4718213 1.686517       0.3736843 0.7032957      2.248837  
1 1 1 -20 17 36 f 8.635742 1.585393  0.8233522      0.2837927 0.4806040      0.4624325 1.030428       0.3594393 -2.645673      3.170786  
1 1 1 -20 17 37 o 27.21935 0.7601552 7.490996       0.4095902 6.848187       0.6078734 8.025531       0.5543197 -2.168161      1.520310  
1 1 1 -20 17 38 f 10.23777 1.564563  1.050275       0.3035827 1.327058       0.5020021 0.8906876      0.3811841 2.042684       3.129126  
1 1 1 -20 17 39 o 54.31102 0.7907290 29.53385       0.8580586 27.75858       1.191916  31.44364       1.236255  -3.387470      1.581458  
1 1 1 -20 17 40 o 74.28130 0.9267877 55.32493       1.376214  53.70514       1.911197  57.06929       1.983327  -2.254631      1.853575  
1 1 1 -20 17 41 o 38.52831 0.8903356 15.02543       0.6471195 14.50424       1.109176  15.29437       0.7967802 -1.068596      1.780671  
1 1 1 -20 17 42 o 44.30666 1.004517  19.70146       0.8855064 19.97841       1.325591  19.47828       1.189952  0.5409088      2.009033  
1 1 1 -20 17 43 o 29.15728 1.018116  8.585748       0.5853326 8.291840       0.8983933 8.802536       0.7715750 -0.8983936     2.036232  
1 1 1 -20 17 44 o 42.59282 1.017720  18.22566       0.8623399 18.34074       1.289449  18.13255       1.159881  0.2208557      2.035440  
1 1 1 -20 17 45 o 56.55637 1.104154  32.18937       1.245832  32.28826       1.828618  32.10370       1.701940  0.1365929      2.208308  
1 1 1 -20 17 46 o 46.86835 1.054075  21.92970       0.9789730 23.34554       1.507520  20.89721       1.287355  2.565651       2.108149  
1 1 1 -20 17 47 o 32.03300 1.101572  10.51255       0.6935809 8.850456       1.021376  11.93486       0.9448324 -4.832161      2.203145  
1 1 1 -20 17 48 o 28.98500 1.098269  8.091036       0.6172811 10.01718       1.040285  7.044294       0.7668806 5.061588       2.196539  
1 1 1 -20 17 49 o 12.67238 2.030587  1.636611       0.4824911 1.975278       0.8342596 1.466399       0.5914395 1.823773       4.061174  
1 1 1 -20 17 50 f 26.56607 1.205147  6.992815       0.6250197 7.736965       1.019824  6.545163       0.7909801 2.175976       2.410293  
1 1 1 -20 17 51 f 19.15056 1.518687  3.718741       0.5525591 3.752520       0.9429888 3.701078       0.6818889 0.3720856E-01  3.037375  
1 1 1 -20 17 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 18 1  o 104.9963 1.697846  110.5800       3.559095  115.4975       5.225229  106.3239       4.861115  4.325882       3.395691  
1 1 1 -20 18 2  f 107.7966 1.733227  116.8623       3.736520  116.4507       5.253361  117.2837       5.315666  -0.3791122     3.466454  
1 1 1 -20 18 3  o 112.1972 1.792225  126.5140       4.019093  129.8846       5.811676  123.4245       5.564115  2.849754       3.584451  
1 1 1 -20 18 4  o 54.28847 1.135934  29.49163       1.231734  28.62746       1.690362  30.46994       1.798535  -1.689037      2.271868  
1 1 1 -20 18 5  o 148.1907 2.287276  221.3012       6.769735  215.3064       9.287392  228.0972       9.888566  -4.228943      4.574552  
1 1 1 -20 18 6  f 66.77023 1.238293  44.68148       1.653217  45.93633       2.367033  43.48635       2.310014  1.830246       2.476586  
1 1 1 -20 18 7  o 44.27007 1.074219  19.60838       0.9501998 18.99275       1.309150  20.29376       1.381324  -1.464626      2.148437  
1 1 1 -20 18 8  o 57.83019 1.150198  33.51978       1.330278  33.90163       1.885007  33.14093       1.877609  0.6571770      2.300395  
1 1 1 -20 18 9  o 48.94479 1.091394  24.00674       1.068306  24.22917       1.508498  23.78294       1.513139  0.4561539      2.182788  
1 1 1 -20 18 10 o 112.3481 1.236093  126.4540       2.775585  123.8878       3.841583  129.2566       4.014675  -2.376122      2.472185  
1 1 1 -20 18 11 o 92.04494 1.042755  84.87075       1.919406  85.86699       2.738747  83.90910       2.690789  1.060432       2.085510  
1 1 1 -20 18 12 o 53.43084 0.7087505 28.54819       0.7568710 29.25193       1.095036  27.90445       1.047312  1.258823       1.417501  
1 1 1 -20 18 13 o 12.35156 0.7640486 1.555203       0.1849008 1.352177       0.2796504 1.712899       0.2464614 -1.461839      1.528097  
1 1 1 -20 18 14 o 67.13477 0.8214304 44.87143       1.098530  47.91768       1.645345  42.42134       1.475594  4.084305       1.642861  
1 1 1 -20 18 15 o 67.68702 0.8262808 45.50460       1.112334  42.56265       1.480967  49.31225       1.684833  -4.974472      1.652562  
1 1 1 -20 18 16 o 39.72826 0.6319559 15.73505       0.5011584 14.63054       0.6852146 17.00549       0.7348789 -2.986813      1.263912  
1 1 1 -20 18 17 o 50.65170 0.6975495 24.93067       0.6939147 29.73527       1.118412  21.92351       0.8848144 7.699791       1.395099  
1 1 1 -20 18 18 o 90.44627 1.030345  81.96564       1.863597  81.23148       2.611478  82.72746       2.660246  -0.8234711     2.060689  
1 1 1 -20 18 19 o 36.68508 0.6352112 13.39684       0.4644600 14.32377       0.6927630 12.63998       0.6259920 2.291962       1.270422  
1 1 1 -20 18 20 o 34.41589 0.6302816 11.82062       0.4328487 12.32761       0.6385431 11.38960       0.5887635 1.360538       1.260563  
1 1 1 -20 18 21 o 51.32981 0.7130027 25.90974       0.7239883 29.56495       1.130467  23.36805       0.9426760 6.026482       1.426005  
1 1 1 -20 18 22 o 64.91824 0.8130127 42.02081       1.052244  44.44529       1.565509  40.02288       1.421141  3.397003       1.626025  
1 1 1 -20 18 23 o 29.21829 0.6554526 8.553866       0.3821705 8.410901       0.5568202 8.681191       0.5254816 -0.4642067     1.310905  
1 1 1 -20 18 24 f 10.78254 1.247043  1.296291       0.2429703 0.7812766      0.3740668 1.672150       0.3195592 -4.273852      2.494085  
1 1 1 -20 18 25 o 66.16490 0.8331352 43.84145       1.102256  44.36020       1.578272  43.34751       1.540080  0.7625122      1.666270  
1 1 1 -20 18 26 o 45.04744 0.7050031 19.99187       0.6299770 17.61755       0.8303415 23.21234       0.9670464 -6.201130      1.410006  
1 1 1 -20 18 27 o 53.37045 0.7428857 28.41361       0.7906761 29.97119       1.173502  27.11862       1.070019  2.664989       1.485771  
1 1 1 -20 18 28 o 64.18139 0.8190497 41.12479       1.049147  39.05165       1.428200  43.55485       1.546260  -3.498287      1.638099  
1 1 1 -20 18 29 o 62.91880 0.8134118 39.40127       1.018725  42.30564       1.534111  37.11035       1.362498  4.113945       1.626824  
1 1 1 -20 18 30 o 99.63644 1.129371  99.56330       2.249006  97.23238       3.111802  102.1123       3.254118  -2.431664      2.258742  
1 1 1 -20 18 31 o 44.39621 0.7057953 19.74237       0.6265025 19.11436       0.8832039 20.37842       0.8888394 -1.423176      1.411591  
1 1 1 -20 18 32 o 14.25448 1.055822  2.120801       0.2890608 1.628570       0.4395657 2.495854       0.3836941 -3.048853      2.111645  
1 1 1 -20 18 33 o 16.58493 0.9467120 2.620623       0.3060197 3.549681       0.5011247 2.068137       0.3864429 4.453155       1.893424  
1 1 1 -20 18 34 o 34.87595 0.7059160 12.16592       0.4900958 12.38371       0.7320954 11.98905       0.6597385 0.5591774      1.411832  
1 1 1 -20 18 35 f 20.71542 0.8312593 4.159176       0.3377109 5.065453       0.5473394 3.602078       0.4291338 3.518818       1.662519  
1 1 1 -20 18 36 o 25.41617 0.7675191 6.436137       0.3852396 6.710350       0.5992954 6.243033       0.5029129 0.9092140      1.535038  
1 1 1 -20 18 37 o 38.92233 0.7338089 15.17966       0.5687826 13.35999       0.7916698 17.12107       0.8177229 -4.828808      1.467618  
1 1 1 -20 18 38 o 31.73705 1.249537  10.51966       0.6000379 9.554163       1.404513  10.73522       0.6636508 -1.985609      2.499074  
1 1 1 -20 18 39 o 28.05283 0.9919381 8.006569       0.5481446 7.152510       0.8220763 8.690236       0.7355137 -2.753725      1.983876  
1 1 1 -20 18 40 o 12.73104 1.667355  1.717551       0.3984338 1.501759       0.6459733 1.850056       0.5061899 -1.629910      3.334710  
1 1 1 -20 18 41 o 44.36821 0.8749999 19.73886       0.7666175 19.62631       1.005945  19.89479       1.184012  -0.2752686     1.750000  
1 1 1 -20 18 42 f 28.20267 0.8880109 8.165758       0.4879888 6.993097       0.7462018 9.042017       0.6450390 -3.648075      1.776022  
1 1 1 -20 18 43 o 47.47701 1.026783  22.69921       0.9727197 22.04821       1.412280  23.28677       1.341699  -1.317585      2.053566  
1 1 1 -20 18 44 o 25.05954 1.090942  6.349243       0.5345379 6.183272       0.8444118 6.460226       0.6905038 -0.5851460     2.181885  
1 1 1 -20 18 45 o 29.02415 1.039544  8.413566       0.5927044 8.799651       0.9393568 8.158183       0.7639827 1.068518       2.079087  
1 1 1 -20 18 46 o 12.90464 1.913683  1.749947       0.4627523 1.805318       0.7731190 1.719035       0.5776579 0.1929512      3.827366  
1 1 1 -20 18 47 o 15.56419 1.650481  2.307168       0.4830081 3.450912       0.8173308 1.693386       0.5987439 5.743678       3.300962  
1 1 1 -20 18 48 o 29.12780 1.123639  8.603695       0.6389053 8.316840       1.011693  8.793992       0.8240128 -0.8671761     2.247277  
1 1 1 -20 18 49 o 27.95830 1.153823  7.793284       0.6286515 8.311131       1.024020  7.480076       0.7963868 1.421169       2.307646  
1 1 1 -20 18 50 o 22.99636 1.250515  5.196805       0.5585390 5.960236       0.9296508 4.765570       0.6987017 2.526636       2.501030  
1 1 1 -20 18 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 19 1  o 47.97823 1.108933  23.09103       1.063349  23.49366       1.484534  22.66679       1.523843  0.8649330      2.217866  
1 1 1 -20 19 2  o 32.58538 1.114237  10.65811       0.7252389 11.13279       1.017556  10.16803       1.033925  1.481678       2.228475  
1 1 1 -20 19 3  o 65.48788 1.236144  43.00285       1.618759  44.00656       2.313996  42.04093       2.265321  1.496490       2.472287  
1 1 1 -20 19 4  o 75.17849 1.336393  56.45879       2.002692  53.70807       2.701991  59.81215       2.983332  -4.033279      2.672786  
1 1 1 -20 19 5  o 97.33884 1.601501  94.69186       3.103624  89.92842       4.157871  100.6855       4.663973  -5.468758      3.203002  
1 1 1 -20 19 6  o 84.57211 1.441240  71.68780       2.434156  69.55764       3.335045  74.11620       3.560875  -2.672272      2.882480  
1 1 1 -20 19 7  o 65.77857 1.234049  43.33134       1.621324  42.16969       2.225367  44.64555       2.366977  -1.869720      2.468098  
1 1 1 -20 19 8  o 65.02970 1.222053  42.41579       1.589273  42.60421       2.236768  42.22368       2.258534  0.2944489      2.444106  
1 1 1 -20 19 9  o 36.01815 1.071948  12.76197       0.7647628 11.22471       1.001590  14.91125       1.184302  -5.103878      2.143897  
1 1 1 -20 19 10 o 61.68339 0.7699621 38.09126       0.9498360 37.90904       1.335856  38.27758       1.350811  -0.2979317     1.539924  
1 1 1 -20 19 11 f 92.34158 1.043487  85.29003       1.924559  88.50268       2.811736  82.45814       2.639862  3.260368       2.086973  
1 1 1 -20 19 12 o 22.90693 0.5740135 5.243487       0.2622052 5.341476       0.3874784 5.160711       0.3561302 0.3933010      1.148027  
1 1 1 -20 19 13 o 63.39533 0.7882561 40.05563       0.9964569 42.57314       1.480661  37.97156       1.347183  3.621864       1.576512  
1 1 1 -20 19 14 o 83.89842 0.9692141 70.45544       1.625284  68.71800       2.250225  72.35040       2.350019  -2.157875      1.938428  
1 1 1 -20 19 15 o 27.02789 1.173994  7.323639       0.6339279 7.282365       0.8752740 7.369177       0.9193696 -0.1568470     2.347988  
1 1 1 -20 19 16 o 66.76892 0.8230682 44.63322       1.098881  45.17268       1.573376  44.11947       1.535423  0.7863770      1.646136  
1 1 1 -20 19 17 o 61.86338 0.7834185 38.31828       0.9692147 38.58774       1.381528  38.05713       1.360076  0.4275589      1.566837  
1 1 1 -20 19 18 o 112.6961 1.243417  126.9126       2.793310  133.7733       4.158966  121.2744       3.770251  5.506882       2.486835  
1 1 1 -20 19 19 o 57.88954 0.7600064 33.53900       0.8795367 34.12342       1.266705  32.99493       1.222194  0.9719315      1.520013  
1 1 1 -20 19 20 o 92.57824 1.053729  85.49193       1.943265  90.68968       2.909122  81.30387       2.611318  5.042877       2.107458  
1 1 1 -20 19 21 o 31.60245 0.6351639 10.00752       0.4003745 9.842580       0.5854816 10.15241       0.5487334 -0.4922009     1.270328  
1 1 1 -20 19 22 f 45.23746 0.6835499 20.28206       0.6144049 22.27573       0.9365062 18.77551       0.8140962 3.861317       1.367100  
1 1 1 -20 19 23 o 86.43444 1.002810  74.49965       1.726703  70.60516       2.320292  79.33321       2.584945  -5.024429      2.005619  
1 1 1 -20 19 24 o 68.86238 0.8509558 47.44281       1.170622  48.94909       1.705797  46.10192       1.609423  2.059311       1.701912  
1 1 1 -20 19 25 o 30.63478 0.6716270 9.428419       0.4101295 8.791030       0.5902731 10.02333       0.5702657 -2.012651      1.343254  
1 1 1 -20 19 26 o 33.46622 0.6697813 11.16361       0.4465052 11.76196       0.6680684 10.68055       0.6002669 1.610928       1.339563  
1 1 1 -20 19 27 f 29.15556 0.6847250 8.553870       0.3971264 7.648224       0.5675467 9.422661       0.5558783 -3.043894      1.369450  
1 1 1 -20 19 28 o 39.17318 0.6841326 15.20131       0.5321026 16.73012       0.8145161 14.06313       0.7027972 3.395721       1.368265  
1 1 1 -20 19 29 o 21.93242 0.7683604 4.790195       0.3344739 5.047822       0.5105705 4.596514       0.4426930 1.022890       1.536721  
1 1 1 -20 19 30 o 42.41869 0.7025673 17.96894       0.5939767 18.64883       0.8837637 17.40880       0.8021712 1.454815       1.405135  
1 1 1 -20 19 31 o 58.71152 0.7882288 34.50193       0.9245165 35.43034       1.346160  33.67309       1.271924  1.489201       1.576458  
1 1 1 -20 19 32 o 13.78656 1.135040  1.988867       0.2990285 1.572664       0.4666279 2.278885       0.3895203 -2.572334      2.270079  
1 1 1 -20 19 33 f 30.79830 0.7152682 9.512999       0.4386506 9.403240       0.6495267 9.605033       0.5947744 -0.3328819     1.430536  
1 1 1 -20 19 34 o 21.54283 0.9413444 4.680332       0.3805093 4.588425       0.6618657 4.725705       0.4650447 -0.3435326     1.882689  
1 1 1 -20 19 35 o 22.73247 0.9899653 5.189078       0.4435343 5.182095       0.6881366 5.194041       0.5801115 -0.4146194E-01 1.979931  
1 1 1 -20 19 36 o 25.07511 0.9782057 6.403708       0.4827285 5.654701       0.7231074 7.005863       0.6483560 -2.704800      1.956411  
1 1 1 -20 19 37 o 36.46213 0.9321724 13.18256       0.6718317 14.36730       1.049071  12.35885       0.8747396 2.729710       1.864345  
1 1 1 -20 19 38 o 28.94041 0.8175710 8.427466       0.4690126 7.053082       0.6557691 9.866707       0.6710632 -4.859041      1.635142  
1 1 1 -20 19 39 o 30.72530 0.7753283 9.553361       0.4721539 8.486282       0.6879014 10.50383       0.6492283 -3.288389      1.550657  
1 1 1 -20 19 40 o 46.98283 0.7970528 22.04931       0.7469867 20.88949       1.012468  23.43481       1.106593  -2.695545      1.594106  
1 1 1 -20 19 41 o 52.60664 0.9669778 27.74934       1.011565  27.29727       1.354819  28.31884       1.520635  -0.9422722     1.933956  
1 1 1 -20 19 42 o 37.34061 0.9839209 14.08013       0.7295741 13.39604       1.082977  14.64858       0.9872079 -1.694973      1.967842  
1 1 1 -20 19 43 o 11.61395 1.921188  1.397040       0.4232636 1.547895       0.7184199 1.316838       0.5238300 0.8833475      3.842377  
1 1 1 -20 19 44 o 41.57378 1.024602  17.43680       0.8461513 16.96754       1.263093  17.81883       1.139678  -1.050114      2.049204  
1 1 1 -20 19 45 o 50.92276 1.059266  25.77750       1.066117  28.25554       1.666377  24.06031       1.387167  4.053108       2.118531  
1 1 1 -20 19 46 o 22.58409 1.193823  5.051970       0.5268912 5.578772       0.8568479 4.731654       0.6681424 1.825314       2.387646  
1 1 1 -20 19 47 o 18.44454 1.426224  3.279414       0.5081972 4.114194       0.8665060 2.841720       0.6274378 3.368975       2.852449  
1 1 1 -20 19 48 o 22.80482 1.280326  5.091368       0.5699112 6.042314       0.9383972 4.535644       0.7173619 3.231775       2.560652  
1 1 1 -20 19 49 o 12.13975 2.054788  1.413745       0.4770477 2.216298       0.8362886 1.026634       0.5808141 4.544441       4.109576  
1 1 1 -20 20 1  o 74.24300 1.340082  55.24829       1.986507  53.50890       2.716571  57.24739       2.912322  -2.495056      2.680165  
1 1 1 -20 20 2  o 40.20843 1.112730  16.21959       0.8945833 16.55143       1.260398  15.88272       1.269919  0.8324471      2.225460  
1 1 1 -20 20 3  f 23.29383 1.298563  5.441586       0.6043445 5.319277       0.8324573 5.577880       0.8787661 -0.5500278     2.597127  
1 1 1 -20 20 4  o 37.38085 1.105811  13.93809       0.8244518 12.93540       1.117657  15.13498       1.221099  -2.932575      2.211622  
1 1 1 -20 20 5  o 42.21626 1.116677  17.85764       0.9422616 18.75006       1.353840  17.01920       1.312251  2.046154       2.233353  
1 1 1 -20 20 6  o 91.71790 1.540120  84.36205       2.819185  81.33067       3.839860  87.90682       4.152306  -3.545349      3.080239  
1 1 1 -20 20 7  o 42.81482 1.108841  18.33832       0.9477584 17.68083       1.293814  19.09967       1.392260  -1.647999      2.217681  
1 1 1 -20 20 8  o 47.12394 1.117423  22.05366       1.047435  20.21365       1.395479  24.42794       1.585183  -4.454128      2.234846  
1 1 1 -20 20 9  o 57.88457 1.175381  33.61750       1.360550  33.95662       1.915165  33.27197       1.933178  0.5931168      2.350762  
1 1 1 -20 20 10 o 81.55952 1.194937  67.37465       1.832110  64.85309       3.159832  68.65166       2.248677  -2.416374      2.389874  
1 1 1 -20 20 11 o 170.5998 1.975532  293.8738       6.674933  292.3518       10.15690  295.0309       8.855846  -0.9964600     3.951063  
1 1 1 -20 20 12 o 43.08324 0.6512884 18.47975       0.5594305 19.85722       0.8324852 17.34550       0.7554252 2.910801       1.302577  
1 1 1 -20 20 13 o 79.80520 0.9327680 63.81874       1.488783  64.14690       2.109696  63.49319       2.101246  0.4089050      1.865536  
1 1 1 -20 20 14 o 9.732800 1.010890  1.064130       0.1735139 0.6230531      0.2686675 1.379744       0.2272672 -4.013794      2.021781  
1 1 1 -20 20 15 o 49.92273 0.6977212 24.94588       0.6964384 25.19430       0.9990354 24.71101       0.9713723 0.4823914      1.395442  
1 1 1 -20 20 16 o 111.6347 1.235213  124.9432       2.755200  121.9501       3.797797  128.2689       4.003193  -2.808136      2.470425  
1 1 1 -20 20 17 o 50.37106 0.7111819 25.07656       0.7107927 28.02954       1.092460  22.90884       0.9360041 5.073112       1.422364  
1 1 1 -20 20 18 o 90.95436 1.041759  82.92785       1.894533  81.72961       2.642148  84.19588       2.718011  -1.348587      2.083518  
1 1 1 -20 20 19 o 34.44102 0.6459214 11.78655       0.4428968 12.80002       0.6664066 10.98475       0.5927455 2.630836       1.291843  
1 1 1 -20 20 20 o 20.87020 0.7075178 4.218596       0.2904361 5.329849       0.4616216 3.490489       0.3736608 4.400574       1.415036  
1 1 1 -20 20 21 o 10.08582 1.198605  1.057256       0.2266578 0.9674712      0.3659740 1.113123       0.2886873 -0.9009171     2.397210  
1 1 1 -20 20 22 f 53.55456 0.7430564 28.50363       0.7925367 26.27907       1.063248  31.28494       1.188877  -4.663925      1.486113  
1 1 1 -20 20 23 f 26.59760 0.6853523 7.108899       0.3618569 6.063506       0.5081945 8.184007       0.5153667 -3.985752      1.370705  
1 1 1 -20 20 24 o 43.74130 0.6944866 19.08280       0.6062473 17.57648       0.8291078 20.81350       0.8887193 -3.695770      1.388973  
1 1 1 -20 20 25 o 29.80516 0.6907213 8.928679       0.4102546 8.273182       0.5899058 9.542692       0.5709344 -2.131119      1.381443  
1 1 1 -20 20 26 f 84.93369 0.9959318 72.36768       1.691739  72.50542       2.399857  72.23161       2.385170  0.1595306      1.991864  
1 1 1 -20 20 27 f 44.93387 0.7044641 20.20483       0.6323037 20.59259       0.9208612 19.85892       0.8697510 0.8121223      1.408928  
1 1 1 -20 20 28 o 41.42964 0.6987932 17.06807       0.5763515 18.48774       0.8674436 15.94599       0.7711886 3.059265       1.397586  
1 1 1 -20 20 29 o 6.728935 1.622182  0.3769776      0.2591748 0.6055852      0.4236509 0.2402478      0.3276382 2.101838       3.244364  
1 1 1 -20 20 30 o 39.93957 0.7000555 15.75906       0.5537786 17.55463       0.8589202 14.48166       0.7244584 3.834488       1.400111  
1 1 1 -20 20 31 o 8.865565 1.632314  0.8708281      0.2862158 0.5890430      0.5156263 0.9963163      0.3440943 -1.857528      3.264628  
1 1 1 -20 20 32 o 53.49687 1.007104  28.56166       1.071697  30.30824       1.618834  27.19898       1.429904  2.879772       2.014207  
1 1 1 -20 20 33 o 17.82128 1.166108  3.316877       0.3995374 2.564726       0.6075944 3.889872       0.5303186 -3.730412      2.332216  
1 1 1 -20 20 34 o 28.79089 0.8209803 8.332487       0.4715284 8.717078       0.6543288 7.917003       0.6801013 1.392550       1.641961  
1 1 1 -20 20 35 o 35.79584 0.7255564 12.86739       0.5183527 12.05567       0.7390427 13.65336       0.7272230 -2.232952      1.451113  
1 1 1 -20 20 36 o 18.46371 0.9639099 3.394423       0.3513107 3.599434       0.5491304 3.252374       0.4570927 0.9254227      1.927820  
1 1 1 -20 20 37 f 22.26247 1.450593  4.783030       0.6299829 6.570592       1.012947  3.655463       0.8045018 6.494919       2.901186  
1 1 1 -20 20 38 f 32.93659 0.7843980 10.82391       0.5146985 9.579639       0.7024899 12.26599       0.7562690 -4.070635      1.568796  
1 1 1 -20 20 39 o 35.00331 0.8348583 12.34161       0.5786042 11.94731       0.8749857 12.64801       0.7713224 -1.016239      1.669717  
1 1 1 -20 20 40 o 16.39568 1.383223  2.610950       0.4419541 3.187200       0.7328171 2.281550       0.5540537 2.715718       2.766447  
1 1 1 -20 20 41 o 72.10089 1.258441  52.41079       1.813949  50.40226       2.532207  54.52788       2.599747  -2.844231      2.516882  
1 1 1 -20 20 42 o 44.25457 1.014225  19.28912       0.8833942 21.97571       1.409068  17.54935       1.133907  4.944595       2.028451  
1 1 1 -20 20 43 o 38.52926 1.013826  15.02194       0.7742559 14.25430       1.157953  15.64264       1.041248  -1.827789      2.027652  
1 1 1 -20 20 44 o 61.62417 1.159103  38.11212       1.420346  39.91808       2.145611  36.70340       1.894997  2.544289       2.318205  
1 1 1 -20 20 45 o 22.45773 1.216701  4.959632       0.5335306 5.692353       0.8746222 4.525386       0.6733167 2.542088       2.433401  
1 1 1 -20 20 46 o 49.43132 1.090049  24.54936       1.073634  21.73081       1.475622  27.71975       1.565015  -6.034100      2.180099  
1 1 1 -20 20 47 o 11.24945 2.168366  1.294477       0.4858167 1.590460       0.8153501 1.131556       0.6049234 1.845705       4.336732  
1 1 1 -20 20 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 21 1  o 16.63384 1.732246  2.805452       0.5732304 3.035935       0.7952659 2.556203       0.8270059 1.447678       3.464493  
1 1 1 -20 21 2  o 15.69377 1.845419  2.515431       0.5628812 2.141251       0.7724503 2.939072       0.8219193 -2.758055      3.690838  
1 1 1 -20 21 3  o 35.12637 1.155116  12.38049       0.8108212 13.09753       1.158770  11.69261       1.134949  1.997059       2.310232  
1 1 1 -20 21 4  o 16.38065 1.755088  2.760931       0.5468138 3.569679       0.7933937 2.029183       0.7546808 4.909792       3.510175  
1 1 1 -20 21 5  o 13.25902 2.057878  1.836090       0.5338309 1.397269       0.7327557 2.332420       0.7792935 -3.423449      4.115757  
1 1 1 -20 21 6  o 51.52017 1.138321  26.62717       1.172622  27.49745       1.674541  25.78978       1.642596  1.653782       2.276642  
1 1 1 -20 21 7  o 36.36246 1.120376  13.25404       0.8138131 14.19913       1.169446  12.36660       1.133220  2.515930       2.240752  
1 1 1 -20 21 8  o 23.40333 1.313004  5.502746       0.6145512 5.453633       0.8696262 5.551741       0.8685882 -0.2097301     2.626009  
1 1 1 -20 21 9  o 90.90671 1.532633  83.16314       2.786522  83.44186       3.941684  82.88468       3.939791  0.3061752      3.065265  
1 1 1 -20 21 10 o 40.38011 0.6237606 16.27657       0.5029433 17.14614       0.7372190 15.51950       0.6878800 2.011215       1.247521  
1 1 1 -20 21 11 o 85.91290 0.9891044 73.63514       1.693064  70.00330       2.277383  78.12245       2.531423  -4.701027      1.978209  
1 1 1 -20 21 12 f 129.3464 1.407794  168.2169       3.641836  167.9758       5.139180  168.4600       5.161560  -0.1841278     2.815587  
1 1 1 -20 21 13 o 69.53312 1.105256  47.10103       1.361198  45.55878       1.578911  51.56530       2.686303  -4.200684      2.210511  
1 1 1 -20 21 14 o 91.11894 1.539370  83.31571       2.798958  87.45781       4.130862  79.79996       3.805744  4.151917       3.078740  
1 1 1 -20 21 15 o 92.29586 1.552052  85.72350       2.863458  84.22540       3.973290  87.34239       4.130358  -1.663742      3.104103  
1 1 1 -20 21 16 o 70.37590 1.304014  49.54870       1.830619  52.91036       2.711553  46.73328       2.481491  4.357643       2.608028  
1 1 1 -20 21 17 o 74.45284 1.353394  55.73029       2.015101  55.63926       2.829894  55.82392       2.870098  -0.1183472     2.706789  
1 1 1 -20 21 18 o 53.72461 0.9750435 27.77140       0.9117395 31.34397       1.861469  26.64384       1.045768  4.292461       1.950087  
1 1 1 -20 21 19 o 22.93069 0.8170162 5.285618       0.3464619 5.223931       0.6206651 5.313540       0.4175753 -0.2125721     1.634032  
1 1 1 -20 21 20 o 29.89979 0.6593866 8.871956       0.3915977 9.612501       0.5975946 8.314653       0.5184132 2.164719       1.318773  
1 1 1 -20 21 21 o 69.63242 0.8634492 48.52079       1.201274  46.90739       1.654119  50.32137       1.747434  -2.442551      1.726898  
1 1 1 -20 21 22 o 40.42987 0.6827373 16.28349       0.5504174 17.51771       0.8178386 15.26157       0.7441801 2.784481       1.365475  
1 1 1 -20 21 23 o 34.30636 0.6697831 11.71247       0.4575845 12.56999       0.6869860 11.02864       0.6134791 2.240696       1.339566  
1 1 1 -20 21 24 f 18.57494 0.8029780 3.376144       0.2932123 3.897886       0.4702389 3.044250       0.3750514 2.288609       1.605956  
1 1 1 -20 21 25 o 62.89708 0.8155702 39.65162       1.025909  39.22236       1.446679  40.08586       1.455067  -0.6855927     1.631140  
1 1 1 -20 21 26 o 65.12903 0.8370977 42.50514       1.089793  43.12766       1.571751  41.92878       1.512364  0.9139938      1.674195  
1 1 1 -20 21 27 o 76.08285 0.9949170 58.16756       1.502183  57.55573       2.263637  58.64904       2.008065  -0.7521820     1.989834  
1 1 1 -20 21 28 o 69.05099 1.167986  47.89469       1.612424  46.50053       2.245021  49.38011       2.317321  -2.073692      2.335972  
1 1 1 -20 21 29 o 22.40335 0.9514112 5.137563       0.4175488 4.138366       0.6093042 6.022291       0.5733416 -4.209152      1.902822  
1 1 1 -20 21 30 o 31.98089 0.8862180 10.30659       0.5633228 9.765001       0.8311844 10.76670       0.7661065 -1.574192      1.772436  
1 1 1 -20 21 31 o 36.13647 0.7948185 12.96336       0.5669420 12.34141       0.7368320 13.86590       0.8876095 -2.091900      1.589637  
1 1 1 -20 21 32 o 65.59908 0.8544742 43.16360       1.120919  43.12333       1.597304  43.20267       1.573403  -0.6347656E-01 1.708948  
1 1 1 -20 21 33 o 48.07052 0.7481496 22.98434       0.7151594 24.79609       1.083918  21.58761       0.9517071 3.322056       1.496299  
1 1 1 -20 21 34 o 29.40584 0.7482002 8.738466       0.4365264 7.781574       0.6331581 9.605378       0.6026542 -3.104843      1.496400  
1 1 1 -20 21 35 o 20.57259 0.8825843 4.278180       0.3577671 4.062492       0.5476953 4.438713       0.4725083 -0.9258747     1.765169  
1 1 1 -20 21 36 o 33.77082 0.7724086 11.39528       0.5192775 9.938800       0.7127029 13.04340       0.7581397 -4.590403      1.544817  
1 1 1 -20 21 37 o 40.73724 0.8260459 16.72113       0.6695528 15.82077       0.9816058 17.50450       0.9156159 -2.076237      1.652092  
1 1 1 -20 21 38 o 24.75628 1.006292  6.194784       0.4927749 5.105685       0.6920521 7.314872       0.7018286 -4.460070      2.012584  
1 1 1 -20 21 39 o 23.46464 1.096038  5.550317       0.5032002 5.504818       0.7972190 5.580449       0.6487677 -0.1928921     2.192076  
1 1 1 -20 21 40 o 13.00721 1.774651  1.941268       0.4270100 1.151759       0.6910169 2.428983       0.5431164 -5.021550      3.549302  
1 1 1 -20 21 41 o 62.90322 1.158316  39.87890       1.456435  38.06464       2.039510  41.76686       2.080523  -2.932472      2.316631  
1 1 1 -20 21 42 o 52.98531 1.078098  28.31706       1.140003  27.61341       1.655236  28.95202       1.572371  -1.282970      2.156196  
1 1 1 -20 21 43 o 68.07523 1.226308  46.65979       1.667354  43.84015       2.292586  49.82584       2.429342  -4.358704      2.452617  
1 1 1 -20 21 44 o 50.77438 1.077991  25.87478       1.087897  26.90174       1.645247  25.07689       1.450186  1.747253       2.155983  
1 1 1 -20 21 45 o 19.10056 1.421781  3.767784       0.5235060 3.427452       0.8402575 3.983702       0.6692759 -1.516432      2.843563  
1 1 1 -20 21 46 o 9.443887 2.174391  0.8229361      0.4542548 1.188437       0.7810894 0.6361386      0.5583959 2.488113       4.348782  
1 1 1 -20 21 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 22 1  o 18.56526 1.700572  3.505732       0.6258738 3.951323       0.8732503 3.035065       0.8974856 2.472269       3.401145  
1 1 1 -20 22 2  o 46.70339 1.146910  21.90665       1.071013  22.44170       1.512782  21.36897       1.516508  1.148922       2.293821  
1 1 1 -20 22 3  o 27.84652 1.251556  7.693431       0.6902907 6.346266       0.9251874 9.385067       1.036747  -5.441126      2.503112  
1 1 1 -20 22 4  o 48.94572 1.154740  24.05617       1.130315  24.33714       1.596727  23.77394       1.600294  0.5757713      2.309480  
1 1 1 -20 22 5  o 33.21716 1.164639  11.04637       0.7725600 10.42553       1.058887  11.75298       1.129675  -1.989277      2.329278  
1 1 1 -20 22 6  o 90.16917 1.535560  81.79074       2.766402  79.91540       3.811418  83.87864       4.021605  -2.163147      3.071121  
1 1 1 -20 22 7  o 29.02256 1.249189  8.457606       0.7217863 9.587123       1.040010  7.408012       1.002540  3.749195       2.498377  
1 1 1 -20 22 8  o 76.13723 1.374134  58.29535       2.092101  58.13370       2.930027  58.46349       2.988185  -0.2080688     2.748267  
1 1 1 -20 22 9  o 37.88334 0.6044413 14.36621       0.4579223 14.09189       0.6448310 14.64530       0.6504048 -0.7300568     1.208883  
1 1 1 -20 22 10 o 64.02927 0.7983199 41.01510       1.021289  42.39800       1.485509  39.77561       1.406377  2.041061       1.596640  
1 1 1 -20 22 11 o 43.00770 0.6524840 18.52172       0.5611518 18.12625       0.7927271 18.91891       0.7944527 -0.9214134     1.304968  
1 1 1 -20 22 12 o 72.13783 0.8731083 52.12062       1.258976  51.06305       1.745438  53.26756       1.817680  -1.521187      1.746217  
1 1 1 -20 22 13 o 68.59306 0.8463258 47.10793       1.160251  48.34256       1.678941  45.97934       1.605226  1.715866       1.692652  
1 1 1 -20 22 14 o 59.50430 1.214183  35.56657       1.444876  36.17842       2.052856  34.96591       2.034002  1.016338       2.428366  
1 1 1 -20 22 15 o 43.74143 0.6738728 19.16273       0.5894485 18.86496       0.8351865 19.45825       0.8320345 -0.6784096     1.347746  
1 1 1 -20 22 16 o 50.09937 0.7100348 25.12944       0.7112973 24.53164       0.9944665 25.75561       1.017792  -1.219662      1.420070  
1 1 1 -20 22 17 o 14.35087 0.8029726 2.004194       0.2265094 2.396893       0.3638256 1.755645       0.2894472 2.227298       1.605945  
1 1 1 -20 22 18 o 35.61981 0.6495596 12.70900       0.4621603 12.63198       0.6695553 12.77909       0.6387210 -0.2088509     1.299119  
1 1 1 -20 22 19 o 41.16946 0.6771210 16.92982       0.5565395 17.72013       0.8174119 16.24687       0.7598664 1.784615       1.354242  
1 1 1 -20 22 20 o 47.29239 0.7109354 22.36683       0.6717154 23.20563       0.9780467 21.61794       0.9241416 1.673904       1.421871  
1 1 1 -20 22 21 o 58.16087 0.7812654 33.85093       0.9078584 34.94944       1.320612  32.86660       1.250099  1.783684       1.562531  
1 1 1 -20 22 22 o 86.48711 1.288590  74.94730       2.054622  74.46896       2.463600  76.04006       3.723650  -0.7034073     2.577179  
1 1 1 -20 22 23 o 24.72497 1.054614  5.815232       0.4508161 5.521169       0.5143407 6.789996       0.9364411 -2.508135      2.109229  
1 1 1 -20 22 24 o 48.64404 1.266068  23.49387       1.211959  25.50640       1.922708  22.16706       1.561161  3.370838       2.532137  
1 1 1 -20 22 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 22 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 22 27 f 41.65181 1.732386  17.45298       1.443140  17.45298       1.443140  ?              ?         ?              ?         
1 1 1 -20 22 28 o 8.202645 2.294918  0.3650715      0.5676860 0.8207191E-01  0.8384846 0.6045783      0.7713668 -1.140909      4.589835  
1 1 1 -20 22 29 o 34.18565 1.209630  11.73738       0.8262011 12.20150       1.202016  11.32174       1.137501  1.275303       2.419259  
1 1 1 -20 22 30 o 43.59074 1.195907  19.07555       1.041155  17.75394       1.438130  20.53116       1.509276  -3.172737      2.391814  
1 1 1 -20 22 31 o 58.32244 1.241111  34.22472       1.447010  35.16805       2.085952  33.34973       2.008980  1.543530       2.482223  
1 1 1 -20 22 32 o 18.81527 1.828421  3.739673       0.6496679 2.849078       0.9473714 4.530285       0.8926104 -4.711720      3.656842  
1 1 1 -20 22 33 o 69.55225 1.351404  48.80028       1.879509  49.52618       2.690186  48.10807       2.626993  1.004440       2.702808  
1 1 1 -20 22 34 o 7.775121 2.302275  0.1096589      0.6061235 -0.7699236E-01 0.8542122 0.2989342      0.8601955 -0.8779879     4.604550  
1 1 1 -20 22 35 o 18.90271 3.662177  3.807677       1.335090  3.807677       1.335090  ?              ?         ?              ?         
1 1 1 -20 22 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 22 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 22 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 22 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 22 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 22 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 22 42 o 35.28093 2.119552  12.63232       1.495596  12.63232       1.495596  ?              ?         ?              ?         
1 1 1 -20 22 43 f 7.396341 3.057844  0.1861855      0.7356400 0.1861855      0.7356400 ?              ?         ?              ?         
1 1 1 -20 22 44 o 23.86785 1.378319  5.738605       0.6540675 4.924253       0.8919576 6.685854       0.9619895 -3.666712      2.756638  
1 1 1 -20 22 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 23 1  o 83.13185 1.466457  69.61889       2.437653  71.30962       3.490083  68.00848       3.406172  1.969673       2.932914  
1 1 1 -20 23 2  o 20.05324 1.624482  4.012537       0.6449457 3.288398       0.8667904 4.910675       0.9653276 -4.024752      3.248963  
1 1 1 -20 23 3  o 47.35828 1.165036  22.36815       1.098180  20.90607       1.467802  24.22725       1.655141  -3.479103      2.330072  
1 1 1 -20 23 4  o 78.36716 1.412293  61.78337       2.212445  63.90556       3.189621  59.81550       3.071463  2.588867       2.824586  
1 1 1 -20 23 5  o 38.84872 1.170455  15.15548       0.9086623 14.96218       1.256381  15.36749       1.315759  -0.5131035     2.340909  
1 1 1 -20 23 6  o 15.63792 1.957642  2.609555       0.5826992 4.574315       0.8611540 0.9502713      0.7913826 11.34936       3.915284  
1 1 1 -20 23 7  o 81.27000 1.438635  66.24491       2.331028  63.26034       3.149511  69.86021       3.466364  -4.004944      2.877270  
1 1 1 -20 23 8  o 40.25983 1.154655  16.17323       0.9264238 14.95690       1.248193  17.66513       1.382381  -3.344604      2.309309  
1 1 1 -20 23 9  f 83.84879 0.9795908 70.46672       1.641353  68.90816       2.265934  72.18724       2.380771  -1.941673      1.959182  
1 1 1 -20 23 10 f 49.29609 0.6995938 24.33516       0.6895619 24.06161       0.9621457 24.62406       0.9887749 -0.5682144     1.399188  
1 1 1 -20 23 11 o 48.33548 0.6859229 23.38955       0.6628634 23.83303       0.9526730 22.97337       0.9228967 0.8867683      1.371846  
1 1 1 -20 23 12 o 32.03341 0.6054895 10.27209       0.3874419 9.593872       0.5424514 10.97840       0.5535688 -2.160240      1.210979  
1 1 1 -20 23 13 f 52.19241 0.7228521 27.27021       0.7541848 27.92476       1.087387  26.66347       1.046921  1.204674       1.445704  
1 1 1 -20 23 14 o 37.99846 0.6461498 14.43244       0.4905623 13.64879       0.6776927 15.29508       0.7110269 -2.163567      1.292300  
1 1 1 -20 23 15 o 59.24628 0.7805560 35.17816       0.9248919 35.16112       1.310694  35.19506       1.305312  -0.2917099E-01 1.561112  
1 1 1 -20 23 16 o 30.90851 0.6334097 9.557909       0.3909021 9.723608       0.5716065 9.412335       0.5357701 0.5006142      1.266819  
1 1 1 -20 23 17 o 43.56524 0.6798546 18.93325       0.5908012 20.07579       0.8752037 17.97675       0.8007854 2.402458       1.359709  
1 1 1 -20 23 18 o 55.61236 0.7557835 30.78275       0.8368112 33.16996       1.258616  28.89146       1.120285  3.832829       1.511567  
1 1 1 -20 23 19 o 76.81902 0.9293817 59.20484       1.427875  59.37062       2.023726  59.04049       2.014942  0.2137833      1.858763  
1 1 1 -20 23 20 o 38.48781 0.6856123 14.79385       0.5262906 15.42938       0.7796276 14.26178       0.7133546 1.510689       1.371225  
1 1 1 -20 23 21 o 38.60023 0.8347208 14.94303       0.6429874 14.89050       0.9401929 14.98917       0.8813040 -0.1345100     1.669442  
1 1 1 -20 23 22 f 39.16867 0.8490055 15.38314       0.6640393 14.24731       0.9296907 16.56611       0.9487873 -2.957790      1.698011  
1 1 1 -20 23 23 f 45.96548 0.9047368 20.90359       0.8227242 23.14834       1.282214  19.33265       1.072648  4.123821       1.809474  
1 1 1 -20 23 24 o 38.95865 0.7725884 15.07875       0.5929932 14.46824       0.7679228 15.98053       0.9332972 -1.922405      1.545177  
1 1 1 -20 23 25 o 14.20465 0.9999672 1.932451       0.2768535 2.671969       0.4461144 1.469245       0.3530681 4.220030       1.999934  
1 1 1 -20 23 26 o 33.13695 0.7014412 10.99711       0.4638818 11.09272       0.6798990 10.91383       0.6345068 0.2652435      1.402882  
1 1 1 -20 23 27 o 12.04410 1.296673  1.402113       0.2819190 2.548181       0.4567312 0.6966920      0.3583272 7.767339       2.593347  
1 1 1 -20 23 28 o 42.43435 0.7187411 18.03068       0.6088041 18.33421       0.8923208 17.76634       0.8327235 0.6622162      1.437482  
1 1 1 -20 23 29 f 37.12725 0.7201915 13.72818       0.5318461 14.65294       0.8041472 13.00915       0.7090790 2.202061       1.440383  
1 1 1 -20 23 30 o 16.27740 1.047044  2.805271       0.3220443 2.113892       0.5059526 3.276158       0.4175519 -3.585737      2.094089  
1 1 1 -20 23 31 o 26.24290 0.7899453 6.811119       0.4115891 7.792362       0.6292921 6.077552       0.5441059 3.255320       1.579891  
1 1 1 -20 23 32 o 34.19793 0.7717763 11.57887       0.5230488 9.623399       0.7004122 14.04423       0.7864460 -6.451870      1.543553  
1 1 1 -20 23 33 o 30.25167 0.8715267 9.176641       0.5269201 8.715251       0.7322432 9.672134       0.7588226 -1.577316      1.743053  
1 1 1 -20 23 34 o 27.62416 0.9659733 7.635669       0.5274479 7.886191       0.8160937 7.455954       0.6912124 0.7556744      1.931947  
1 1 1 -20 23 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 23 36 o 38.64227 0.9628240 14.95616       0.7359214 15.37805       1.134586  14.64975       0.9669080 0.9096985      1.925648  
1 1 1 -20 23 37 o 32.88990 0.9662345 10.75718       0.6256886 11.55888       0.9892961 10.22271       0.8077628 1.992731       1.932469  
1 1 1 -20 23 38 o 11.57130 1.776427  1.545479       0.4006352 0.8281740      0.6577754 1.968516       0.5051434 -4.775360      3.552854  
1 1 1 -20 23 39 o 24.70810 1.091284  6.245474       0.5294315 5.534727       0.8003840 6.798377       0.7059369 -2.579908      2.182568  
1 1 1 -20 23 40 o 32.30600 1.025157  10.64470       0.6536240 9.051443       0.9505665 12.07363       0.9002151 -4.689356      2.050313  
1 1 1 -20 23 41 o 22.28098 1.228213  5.218863       0.5248557 4.025559       0.8017480 6.113774       0.6943074 -4.717901      2.456426  
1 1 1 -20 23 42 o 29.03800 1.070655  8.463064       0.6074846 8.669641       0.9737746 8.331443       0.7772838 0.5306015      2.141309  
1 1 1 -20 23 43 o 29.64317 2.155470  0.000000       0.000000  ?              ?         8.930679       1.277899  ?              ?         
1 1 1 -20 24 1  o 24.55572 1.430277  6.034362       0.6998885 5.515298       0.9438992 6.668266       1.043103  -2.328022      2.860554  
1 1 1 -20 24 2  f 25.17057 1.413427  6.377650       0.7107155 6.246601       0.9779812 6.524316       1.034615  -0.5406857     2.826853  
1 1 1 -20 24 3  o 59.99648 1.255356  35.96938       1.499823  33.69449       2.010062  38.82679       2.252767  -4.235554      2.510712  
1 1 1 -20 24 4  o 16.33440 1.953251  2.758320       0.6212878 3.019208       0.8722401 2.489640       0.8851701 1.871502       3.906502  
1 1 1 -20 24 5  o 52.98412 1.221073  28.02696       1.289176  30.99796       1.922483  25.59933       1.737813  5.063915       2.442146  
1 1 1 -20 24 6  o 8.073436 2.277649  0.3039432      0.5668713 -0.1206580E-01 0.8143033 0.6010852      0.7896206 -1.506189      4.555299  
1 1 1 -20 24 7  o 52.89506 1.213351  28.09422       1.282505  27.11648       1.769503  29.17623       1.861461  -1.931885      2.426703  
1 1 1 -20 24 8  o 51.18629 1.207603  26.34421       1.236168  26.77955       1.757223  25.91769       1.739326  0.8389626      2.415205  
1 1 1 -20 24 9  o 51.46288 0.7131565 26.48743       0.7332187 25.52772       1.008461  27.56369       1.067950  -1.972343      1.426313  
1 1 1 -20 24 10 o 89.27170 1.029743  79.91186       1.836728  82.32724       2.670306  77.74296       2.530388  2.548058       2.059486  
1 1 1 -20 24 11 o 22.45936 0.5827174 5.061620       0.2610157 4.878049       0.3794182 5.226552       0.3596392 -0.7774143     1.165435  
1 1 1 -20 24 12 o 58.33350 0.7682807 34.10677       0.8962861 33.88911       1.271124  34.32199       1.263986  -0.3717766     1.536561  
1 1 1 -20 24 13 o 32.78919 0.9489126 10.34178       0.4959269 11.53958       1.143457  10.06427       0.5503857 2.175903       1.897825  
1 1 1 -20 24 14 o 63.35610 0.8112984 40.21800       1.027488  40.95706       1.481703  39.53339       1.426069  1.117382       1.622597  
1 1 1 -20 24 15 o 74.50339 0.9029563 55.68193       1.345417  55.84224       1.911978  55.52472       1.893570  0.2108078      1.805913  
1 1 1 -20 24 16 o 82.83220 0.9814745 68.83020       1.625182  67.62241       2.256901  70.13097       2.342180  -1.502632      1.962949  
1 1 1 -20 24 17 o 82.53851 1.159625  68.69918       1.840404  67.72173       3.044352  69.26214       2.310377  -1.051521      2.319249  
1 1 1 -20 24 18 o 46.44542 0.8760720 21.64675       0.8134012 21.32452       1.163070  21.95523       1.137986  -0.6821251     1.752144  
1 1 1 -20 24 19 o 23.40165 0.8012317 5.533749       0.3715008 5.102319       0.5509896 5.893359       0.5030412 -1.695679      1.602463  
1 1 1 -20 24 20 f 41.91284 0.8068413 17.61847       0.6756840 17.71751       0.9366257 17.51100       0.9756945 0.2509651      1.613683  
1 1 1 -20 24 21 o 18.21390 0.7996781 3.269956       0.2883947 3.733574       0.4482544 2.942513       0.3767142 2.163193       1.599356  
1 1 1 -20 24 22 f 11.79690 1.292644  1.619967       0.2649052 0.7919367      0.4075444 2.225765       0.3485910 -6.201455      2.585287  
1 1 1 -20 24 23 o 16.99729 0.8657231 2.830201       0.2903752 3.336112       0.4585891 2.491614       0.3751645 2.473150       1.731446  
1 1 1 -20 24 24 o 39.63385 0.6998186 15.61390       0.5518767 17.01105       0.8337843 14.52455       0.7362307 3.125923       1.399637  
1 1 1 -20 24 25 o 34.39938 0.7027069 11.81024       0.4813971 12.38577       0.7210339 11.34737       0.6466247 1.500572       1.405414  
1 1 1 -20 24 26 o 12.46660 1.159760  1.501059       0.2831729 1.927522       0.4591226 1.239228       0.3597474 2.740524       2.319519  
1 1 1 -20 24 27 o 23.31966 0.7822850 5.504595       0.3604525 5.073705       0.5407580 5.849126       0.4835411 -1.670408      1.564570  
1 1 1 -20 24 28 o 34.79502 0.7430874 12.09019       0.5158542 12.85824       0.7628244 11.44300       0.7002427 2.025482       1.486175  
1 1 1 -20 24 29 o 40.18257 0.8226953 16.04331       0.6527179 15.27214       0.8489617 17.15819       1.020768  -2.321762      1.645391  
1 1 1 -20 24 30 o 22.65352 0.9178349 5.063694       0.4121769 5.994734       0.6325967 4.376842       0.5433430 3.556061       1.835670  
1 1 1 -20 24 31 o 61.55051 1.104298  37.87680       1.354758  34.85742       1.828146  41.55469       2.017680  -5.400772      2.208595  
1 1 1 -20 24 32 f 6.211878 1.684843  0.1828014      0.3309958 -0.4118476     0.5480635 0.5242237      0.4152853 -2.273444      3.369685  
1 1 1 -20 24 33 f 48.01269 0.9904987 23.16000       0.9494528 21.30871       1.322369  25.12986       1.364059  -3.971062      1.980997  
1 1 1 -20 24 34 o 13.05357 1.535664  1.653459       0.3818779 2.218864       0.6396287 1.340299       0.4760273 3.479138       3.071328  
1 1 1 -20 24 35 o 15.06559 1.363397  2.197877       0.3934286 2.638098       0.6828342 1.979112       0.4813584 2.125510       2.726794  
1 1 1 -20 24 36 o 42.73808 0.9803971 17.95955       0.8214498 20.43295       1.328197  16.42742       1.045356  4.624954       1.960794  
1 1 1 -20 24 37 o 70.32823 1.230434  49.90757       1.727795  50.47963       2.523516  49.40275       2.370588  0.7230606      2.460868  
1 1 1 -20 24 38 o 39.63610 0.9775654 15.69164       0.7676801 16.64950       1.182446  14.99374       1.009319  2.048737       1.955131  
1 1 1 -20 24 39 o 38.05977 0.9823714 14.58776       0.7420793 14.56012       1.119965  14.60939       0.9907853 -0.9653473E-01 1.964743  
1 1 1 -20 24 40 o 28.63058 1.054359  8.270510       0.5925858 8.207563       0.9296817 8.313586       0.7690654 -0.2266235     2.108717  
1 1 1 -20 24 41 f 55.25379 1.518606  0.000000       0.000000  ?              ?         30.77749       1.678174  ?              ?         
1 1 1 -20 25 1  o 10.28128 2.458841  1.008231       0.6056278 1.197172       0.8534889 0.8166118      0.8595170 1.218204       4.917682  
1 1 1 -20 25 2  o 25.72371 1.440840  6.632190       0.7389046 6.095690       0.9991307 7.279836       1.097756  -2.280622      2.881680  
1 1 1 -20 25 3  o 10.27925 2.414553  1.027453       0.5864894 1.227834       0.8089389 0.8054085      0.8515429 1.319563       4.829106  
1 1 1 -20 25 4  o 16.61653 2.050173  2.860838       0.6549088 3.700542       0.9551215 2.115720       0.8997213 4.993907       4.100345  
1 1 1 -20 25 5  f 21.67741 1.645368  4.743283       0.7091948 4.078210       0.9795409 5.475971       1.028128  -3.212355      3.290735  
1 1 1 -20 25 6  o 33.27702 1.296490  11.12263       0.8607321 10.07252       1.187958  12.28313       1.248841  -3.309988      2.592980  
1 1 1 -20 25 7  o 21.98819 1.605321  4.883569       0.7016026 5.637527       1.012846  4.188057       0.9727968 3.286669       3.210641  
1 1 1 -20 25 8  o 34.58915 1.263656  12.03500       0.8738770 12.37977       1.255570  11.71108       1.217029  0.9594955      2.527313  
1 1 1 -20 25 9  o 43.20026 0.6558439 18.46463       0.5624908 20.62998       0.8617183 16.85701       0.7424943 4.355389       1.311688  
1 1 1 -20 25 10 o 20.58625 0.5783169 4.242408       0.2374770 4.262706       0.3491601 4.224936       0.3239423 0.8960342E-01  1.156634  
1 1 1 -20 25 11 o 19.46982 0.6216856 3.840183       0.2381947 3.062736       0.3377618 4.609365       0.3359619 -3.972025      1.243371  
1 1 1 -20 25 12 o 37.71248 0.6415588 14.22931       0.4833519 14.59245       0.7036334 13.90483       0.6651174 0.9080391      1.283118  
1 1 1 -20 25 13 o 32.82816 0.6316760 10.78454       0.4139344 9.881548       0.5761098 11.74816       0.5951372 -2.841251      1.263352  
1 1 1 -20 25 14 o 23.49099 0.7022248 5.578583       0.3266163 4.755514       0.4677562 6.361722       0.4562685 -3.419950      1.404450  
1 1 1 -20 25 15 f 12.03202 0.9797312 1.517724       0.2242587 1.199187       0.3536941 1.731871       0.2900043 -2.222547      1.959462  
1 1 1 -20 25 16 o 48.67716 0.8907418 23.58082       0.8635143 21.59303       1.158974  26.06125       1.294646  -4.571480      1.781484  
1 1 1 -20 25 17 o 34.39918 0.7096652 11.89582       0.4866996 12.58261       0.6759493 11.15645       0.7013475 2.075710       1.419330  
1 1 1 -20 25 18 o 42.30377 0.6898082 17.93137       0.5834833 17.37651       0.8200632 18.50027       0.8303733 -1.327084      1.379616  
1 1 1 -20 25 19 o 9.780453 1.277916  0.9425980      0.2404837 1.368036       0.3784445 0.6544524      0.3114511 3.761351       2.555832  
1 1 1 -20 25 20 o 64.83817 0.8403882 42.09235       1.088395  40.49067       1.493759  43.90502       1.589108  -2.619553      1.680776  
1 1 1 -20 25 21 o 43.95460 0.7070621 19.35333       0.6210881 19.69805       0.8993139 19.03897       0.8587892 0.7447929      1.414124  
1 1 1 -20 25 22 o 48.41647 0.7356610 23.50913       0.7122154 23.14763       1.012052  23.86382       1.002466  -0.7408409     1.471322  
1 1 1 -20 25 23 o 36.04047 0.6984043 13.03177       0.5029005 12.40228       0.7132457 13.65412       0.7091892 -1.737221      1.396809  
1 1 1 -20 25 24 o 40.18135 0.7326742 16.13176       0.5877603 17.29457       0.8615162 15.11926       0.8039081 2.699429       1.465348  
1 1 1 -20 25 25 f 45.19622 0.7622903 20.44765       0.6881958 19.74311       0.9449127 21.24356       1.004313  -1.651913      1.524581  
1 1 1 -20 25 26 f 36.14331 0.8199267 13.10792       0.5926124 13.40687       0.8406211 12.81256       0.8355626 0.8214073      1.639853  
1 1 1 -20 25 27 f 34.07258 0.8269946 11.57971       0.5618263 12.69918       0.8336017 10.64795       0.7605048 2.998898       1.653989  
1 1 1 -20 25 28 o 22.09461 0.9725482 4.995992       0.4212281 4.324935       0.6345412 5.524689       0.5632275 -2.728188      1.945096  
1 1 1 -20 25 29 o 69.54464 1.186447  48.57312       1.644365  50.71684       2.449986  46.81583       2.218217  2.750153       2.372895  
1 1 1 -20 25 30 o 19.51385 1.055511  3.855840       0.4022781 3.716617       0.6356785 3.948839       0.5195454 -0.6193600     2.111022  
1 1 1 -20 25 31 o 36.88735 0.9183742 13.72780       0.6742918 12.28472       0.9590479 15.13850       0.9482294 -3.870319      1.836748  
1 1 1 -20 25 32 o 18.47798 1.217178  3.677747       0.4188047 2.629503       0.6642829 4.369274       0.5395434 -4.739723      2.434356  
1 1 1 -20 25 33 o 22.81466 1.023531  5.086632       0.4532330 5.861074       0.7563841 4.652797       0.5661225 2.604927       2.047061  
1 1 1 -20 25 34 o 12.79639 1.610865  1.694018       0.3858666 1.691428       0.6424789 1.695480       0.4826005 -0.3079863     3.221730  
1 1 1 -20 25 35 o 49.69858 1.018342  24.89670       1.010500  24.25713       1.460571  25.48391       1.399509  -1.248566      2.036685  
1 1 1 -20 25 36 o 38.18908 0.9651043 14.70539       0.7318993 14.43146       1.096895  14.92522       0.9826301 -0.6732025     1.930209  
1 1 1 -20 25 37 o 33.02094 0.9912810 11.02575       0.6450194 10.70242       0.9935026 11.26134       0.8480562 -0.8824997     1.982562  
1 1 1 -20 25 38 o 53.20829 1.059970  28.39228       1.120857  29.71761       1.698019  27.36887       1.492126  2.153862       2.119939  
1 1 1 -20 25 39 o 62.95895 2.397961  0.000000       0.000000  ?              ?         40.45085       3.019462  ?              ?         
1 1 1 -20 26 1  o 52.95074 1.277931  28.09650       1.348123  26.42823       1.811882  30.16544       2.017759  -3.482639      2.555862  
1 1 1 -20 26 2  o 30.50454 1.392963  9.387557       0.8490622 9.234350       1.172199  9.556659       1.231505  -0.5138149     2.785926  
1 1 1 -20 26 3  o 41.93703 1.251377  17.73947       1.048098  18.08754       1.453043  17.36195       1.513258  0.8782158      2.502753  
1 1 1 -20 26 4  o 25.10391 1.586768  6.474638       0.7775267 8.096071       1.101328  4.863406       1.097858  6.437637       3.173536  
1 1 1 -20 26 5  o 16.60373 2.135011  2.982017       0.6725003 4.279353       0.9533466 1.697057       0.9487877 7.897501       4.270021  
1 1 1 -20 26 6  o 27.62779 1.469539  7.641854       0.7969065 9.905151       1.188139  5.791089       1.074415  7.417337       2.939079  
1 1 1 -20 26 7  o 36.01517 1.296849  13.06936       0.9337593 12.84819       1.298760  13.30600       1.343444  -0.6257019     2.593698  
1 1 1 -20 26 8  f 22.56003 1.625123  5.165641       0.7272362 6.019702       1.041992  4.354525       1.015456  3.683273       3.250245  
1 1 1 -20 26 9  f 44.45293 1.252951  19.91034       1.113792  19.93685       1.562791  19.88296       1.587787  0.6594849E-01  2.505901  
1 1 1 -20 26 10 o 10.06455 3.532102  0.000000       0.000000  ?              ?         0.9336647      0.8822101 ?              ?         
1 1 1 -20 26 11 o 42.78874 1.110070  0.000000       0.000000  ?              ?         18.36342       0.9499701 ?              ?         
1 1 1 -20 26 12 o 23.00284 0.8428278 5.447466       0.3541215 4.963782       0.6342356 5.666554       0.4268532 -1.556723      1.685656  
1 1 1 -20 26 13 o 41.91382 0.8052909 17.44737       0.6716498 15.73255       0.8982476 19.62197       1.011522  -4.623959      1.610582  
1 1 1 -20 26 14 o 51.40053 0.7387210 26.48787       0.7593409 26.73201       1.082965  26.25175       1.065001  0.4648590      1.477442  
1 1 1 -20 26 15 o 47.24340 0.7239248 22.02041       0.6781220 19.66449       0.8908755 25.26588       1.045624  -5.908550      1.447850  
1 1 1 -20 26 16 o 50.35355 0.7372894 25.41919       0.7424376 25.75419       1.058488  25.09476       1.041645  0.6526222      1.474579  
1 1 1 -20 26 17 o 56.19882 0.7761914 31.67608       0.8723607 31.53021       1.225402  31.82596       1.242177  -0.2608337     1.552383  
1 1 1 -20 26 18 o 46.12156 0.7367246 21.33868       0.6791133 22.25876       0.9607953 20.42006       0.9600278 1.993214       1.473449  
1 1 1 -20 26 19 o 54.73030 0.8040638 30.01927       0.8770142 29.68748       1.188202  30.41636       1.299879  -0.6500359     1.608128  
1 1 1 -20 26 20 o 52.22794 0.7916095 27.27803       0.8232449 26.50505       1.106745  28.23549       1.231750  -1.639080      1.583219  
1 1 1 -20 26 21 o 26.83837 0.7827509 7.188179       0.4190631 7.804174       0.6196127 6.668860       0.5689168 2.107983       1.565502  
1 1 1 -20 26 22 o 23.65626 0.8169714 5.607974       0.3851840 5.703076       0.5711159 5.528619       0.5216972 0.3613548      1.633943  
1 1 1 -20 26 23 o 15.41143 1.071416  2.338492       0.3226812 2.624153       0.5261058 2.166227       0.4085505 1.462008       2.142833  
1 1 1 -20 26 24 o 23.32754 0.8826786 5.395399       0.4054220 5.848489       0.6418490 5.094623       0.5229524 1.595520       1.765357  
1 1 1 -20 26 25 o 29.75844 0.8591629 8.906980       0.5070006 8.775928       0.7656469 9.009320       0.6765968 -0.4072590     1.718326  
1 1 1 -20 26 26 o 60.88894 1.082317  37.27937       1.315562  37.95881       1.927424  36.68675       1.800070  1.017044       2.164635  
1 1 1 -20 26 27 f 48.78209 0.9649542 23.92834       0.9394525 23.87126       1.373098  23.97858       1.288141  -0.1267281     1.929908  
1 1 1 -20 26 28 o 47.18035 0.9554042 21.82079       0.8849059 25.31127       1.426789  19.63884       1.128077  5.949474       1.910808  
1 1 1 -20 26 29 o 59.11419 1.076870  35.13008       1.271829  33.18437       1.755913  37.27741       1.844641  -3.440617      2.153740  
1 1 1 -20 26 30 o 10.01894 1.765662  1.045534       0.3424614 1.122360       0.5710152 1.002378       0.4279729 0.5452881      3.531324  
1 1 1 -20 26 31 o 21.27697 1.060552  4.714730       0.4354362 3.758018       0.6642220 5.435743       0.5766262 -3.962742      2.121104  
1 1 1 -20 26 32 o 20.32697 1.095295  4.179080       0.4290663 4.107348       0.7053016 4.221223       0.5406083 -0.3212318     2.190589  
1 1 1 -20 26 33 o 6.124156 1.811931  0.7843745E-01  0.3572713 0.1411284      0.6026006 0.4445631E-01  0.4436558 1.123176       3.623862  
1 1 1 -20 26 34 o 46.20865 0.9942966 21.52822       0.9170859 21.04541       1.330653  21.96503       1.265695  -1.011341      1.988593  
1 1 1 -20 26 35 o 19.48612 1.256722  4.127095       0.4536705 2.700662       0.6981559 5.169633       0.5968606 -6.364561      2.513443  
1 1 1 -20 26 36 o 10.90839 1.756424  1.037708       0.3908535 2.107140       0.6789185 0.5075575      0.4780142 6.937405       3.512848  
1 1 1 -20 26 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 2  o 43.41485 2.492628  0.000000       0.000000  ?              ?         19.15361       2.164342  ?              ?         
1 1 1 -20 27 3  o 48.42754 2.476003  0.000000       0.000000  ?              ?         23.82299       2.398135  ?              ?         
1 1 1 -20 27 4  o 62.05867 2.626601  0.000000       0.000000  ?              ?         39.19263       3.260068  ?              ?         
1 1 1 -20 27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 8  o 41.49838 0.7548721 17.24901       0.6261218 16.60464       0.8674107 17.94998       0.9047060 -1.615917      1.509744  
1 1 1 -20 27 9  o 18.48000 0.6216393 3.464847       0.2261529 2.793973       0.3226371 4.112859       0.3170919 -3.569017      1.243279  
1 1 1 -20 27 10 o 19.04917 0.6466535 3.685367       0.2430522 3.175514       0.3564824 4.128263       0.3322508 -2.503534      1.293307  
1 1 1 -20 27 11 o 33.42764 0.7081791 10.98249       0.4678992 12.67137       0.7336061 9.824308       0.6075066 4.242500       1.416358  
1 1 1 -20 27 12 o 52.94815 0.8739497 28.04964       0.9180608 27.42701       1.217322  28.87085       1.398022  -1.335030      1.747899  
1 1 1 -20 27 13 o 16.72165 0.7278723 2.728619       0.2397578 3.488497       0.3730005 2.193614       0.3129795 3.863988       1.455745  
1 1 1 -20 27 14 o 57.55807 0.9237141 33.30887       1.058347  33.63515       1.432990  32.91730       1.569808  0.6466255      1.847428  
1 1 1 -20 27 15 o 76.11114 1.144040  58.18216       1.716848  57.48680       2.241013  59.17015       2.671236  -1.015213      2.288081  
1 1 1 -20 27 16 o 40.09924 1.172839  16.13805       0.9405987 16.13805       0.9405987 ?              ?         ?              ?         
1 1 1 -20 27 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 22 o 19.86557 1.937166  0.000000       0.000000  ?              ?         3.988802       0.7696581 ?              ?         
1 1 1 -20 27 23 o 37.98392 1.172587  0.000000       0.000000  ?              ?         14.48676       0.8907887 ?              ?         
1 1 1 -20 27 24 o 34.58765 1.154782  0.000000       0.000000  ?              ?         12.01275       0.7988241 ?              ?         
1 1 1 -20 27 25 o 20.50225 1.350939  3.466956       0.4378245 5.656671       1.098347  3.053280       0.4773928 6.160448       2.701879  
1 1 1 -20 27 26 o 24.11270 1.305409  6.107279       0.5157512 5.468785       1.082078  6.294969       0.5866784 -1.846970      2.610819  
1 1 1 -20 27 27 o 69.99062 1.508023  48.86505       1.911946  51.63914       3.603163  47.77783       2.255707  2.316399       3.016047  
1 1 1 -20 27 28 o 32.58338 1.299724  11.61155       0.7260934 8.954123       1.366075  12.65791       0.8572055 -5.823032      2.599449  
1 1 1 -20 27 29 o 18.16711 1.572423  2.856164       0.4500718 4.225592       1.114751  2.589463       0.4919501 4.275229       3.144845  
1 1 1 -20 27 30 o 26.85136 1.322771  7.363656       0.5854203 7.177334       1.245777  7.416462       0.6632103 -0.6240463     2.645542  
1 1 1 -20 27 31 o 13.15429 2.128560  1.357580       0.4293002 2.801592       1.116591  1.107100       0.4650456 5.856931       4.257120  
1 1 1 -20 27 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 27 33 f 28.18037 1.296314  0.000000       0.000000  ?              ?         7.987693       0.7306123 ?              ?         
1 1 1 -20 27 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 28 8  o 22.74246 0.5933307 4.974271       0.2643802 6.419184       0.4272968 4.078018       0.3365304 5.136356       1.186661  
1 1 1 -20 28 9  o 72.14344 1.154982  52.43761       1.666464  52.11757       2.349441  52.76166       2.364099  -0.4430084     2.309964  
1 1 1 -20 28 10 o 31.60754 0.6850421 9.777049       0.4271386 11.53317       0.6755906 8.607600       0.5513111 4.610916       1.370084  
1 1 1 -20 28 11 o 34.10223 0.7194022 11.63819       0.4898396 10.73358       0.6769562 12.63235       0.7096772 -2.779232      1.438804  
1 1 1 -20 28 12 o 56.95076 0.9704934 32.24281       1.096349  35.39531       1.686291  29.93454       1.442939  4.746868       1.940987  
1 1 1 -20 28 13 o 30.25952 0.7128705 9.195262       0.4308373 8.788947       0.6155611 9.585444       0.6032183 -1.317884      1.425741  
1 1 1 -20 28 14 o 22.80898 0.7158057 5.186003       0.3238645 5.457447       0.4955759 4.983659       0.4278734 1.028744       1.431611  
1 1 1 -20 28 15 o 50.37143 0.9084872 25.35386       0.9126157 23.55171       1.235771  27.51579       1.353519  -3.912743      1.816974  
1 1 1 -20 28 16 o 29.61659 0.7578053 8.802876       0.4464472 8.788406       0.6665925 8.814647       0.6012021 -0.5475616E-01 1.515611  
1 1 1 -20 28 17 o 15.36268 0.8851374 2.326563       0.2679469 2.628852       0.4251981 2.127449       0.3450889 1.616483       1.770275  
1 1 1 -20 28 18 o 13.83571 0.9540101 1.874927       0.2583878 2.167240       0.4205410 1.697654       0.3274955 1.677270       1.908020  
1 1 1 -20 28 19 o 44.28959 0.8723569 19.54873       0.7677048 21.08254       1.168627  18.38429       1.018240  3.016796       1.744714  
1 1 1 -20 28 20 o 15.48270 0.9813201 2.371104       0.2970081 2.598600       0.4820120 2.231858       0.3771043 1.161490       1.962640  
1 1 1 -20 28 21 o 18.78468 0.9101073 3.441115       0.3352351 4.089973       0.5434977 3.042659       0.4259053 2.764038       1.820215  
1 1 1 -20 28 22 o 25.81135 0.8541933 6.684230       0.4358577 6.748243       0.6706576 6.637425       0.5734795 0.1963329      1.708387  
1 1 1 -20 28 23 o 10.82034 1.515558  1.363546       0.3057496 0.7303635      0.4983481 1.745753       0.3871843 -4.694196      3.031115  
1 1 1 -20 28 24 o 31.07563 0.8728178 9.755790       0.5361746 7.978226       0.7515102 11.59873       0.7652060 -5.822598      1.745636  
1 1 1 -20 28 25 o 29.76199 0.8706523 8.954865       0.5141643 8.407251       0.7624387 9.411629       0.6963266 -1.700859      1.741305  
1 1 1 -20 28 26 o 13.61708 1.281909  1.907955       0.3363044 1.744160       0.5415764 2.010756       0.4290516 -1.013584      2.563818  
1 1 1 -20 28 27 o 27.68722 0.9069268 7.513677       0.4926873 8.719972       0.7959061 6.764259       0.6273317 3.493162       1.813854  
1 1 1 -20 28 28 o 41.16581 0.9209071 17.02196       0.7544301 17.29789       1.128434  16.79894       1.014490  0.5799141      1.841814  
1 1 1 -20 28 29 o 8.450670 1.778349  0.7663888      0.3385955 0.3667846      0.5634283 0.9922882      0.4236245 -2.479727      3.556697  
1 1 1 -20 28 30 o 38.61082 0.9436801 15.05969       0.7255444 14.18638       1.056592  15.83892       0.9980575 -2.153728      1.887360  
1 1 1 -20 28 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 29 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 29 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 29 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 29 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 29 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 29 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 29 8  o 42.27015 0.7697365 17.91747       0.6501766 18.30313       0.9429320 17.56792       0.8977110 0.8619843      1.539473  
1 1 1 -20 29 9  o 51.20467 0.8845397 26.22211       0.9033564 24.70384       1.223258  28.04334       1.339752  -3.238220      1.769079  
1 1 1 -20 29 10 o 32.38531 0.6967692 10.52800       0.4509398 10.22135       0.6442544 10.82253       0.6313905 -0.9301338     1.393538  
1 1 1 -20 29 11 o 44.14021 1.170390  19.56679       1.033225  19.56679       1.033225  ?              ?         ?              ?         
1 1 1 -20 29 12 o 41.13932 0.7912562 16.98428       0.6504425 17.13408       0.9419664 16.84777       0.8992491 0.3405075      1.582512  
1 1 1 -20 29 13 o 29.77567 0.7224700 8.802196       0.4263749 7.293066       0.5743367 10.65509       0.6363980 -5.635714      1.444940  
1 1 1 -20 29 14 o 51.85947 0.9185925 27.03891       0.9525636 26.93196       1.359279  27.14211       1.335298  -0.2075233     1.837185  
1 1 1 -20 29 15 o 36.14797 0.7736881 13.08366       0.5581512 11.93644       0.7703053 14.35175       0.8098702 -3.334011      1.547376  
1 1 1 -20 29 16 o 31.06081 0.7538727 9.707582       0.4671111 9.112331       0.6699931 10.27057       0.6515812 -1.867601      1.507745  
1 1 1 -20 29 17 o 50.65844 0.9197546 25.77879       0.9313927 24.75082       1.295656  26.87806       1.339831  -2.090279      1.839509  
1 1 1 -20 29 18 o 24.20646 0.7673410 5.843577       0.3681322 6.159152       0.5656456 5.611693       0.4848731 1.116425       1.534682  
1 1 1 -20 29 19 f 49.77531 0.9253582 24.91652       0.9209699 24.17208       1.296810  25.67404       1.308160  -1.506260      1.850716  
1 1 1 -20 29 20 o 21.81660 0.8561873 4.785408       0.3675627 4.772552       0.5730707 4.794394       0.4790877 -0.6940842E-01 1.712375  
1 1 1 -20 29 21 o 32.83314 0.8264042 10.87951       0.5402277 10.08026       0.7817849 11.60994       0.7473710 -2.336515      1.652808  
1 1 1 -20 29 22 o 46.75832 0.9157509 21.96760       0.8543983 22.37295       1.256535  21.61902       1.165228  0.7851067      1.831502  
1 1 1 -20 29 23 o 37.17414 0.8643131 13.82097       0.6388228 11.85043       0.8727487 16.09523       0.9375969 -5.695377      1.728626  
1 1 1 -20 29 24 o 37.57759 0.8693846 14.17775       0.6499951 14.35862       0.9727034 14.03183       0.8737086 0.4137535      1.738769  
1 1 1 -20 29 25 o 41.19003 0.8945816 17.08147       0.7358554 16.09688       1.044663  18.05111       1.036696  -2.373959      1.789163  
1 1 1 -20 29 26 f 13.34784 1.314500  1.733770       0.3397038 2.081491       0.5735717 1.545900       0.4216013 1.956013       2.629000  
1 1 1 -20 29 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 30 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 30 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 30 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 30 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 30 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 30 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 30 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 30 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 30 9  o 45.18861 1.624771  0.000000       0.000000  ?              ?         20.61116       1.468423  ?              ?         
1 1 1 -20 30 10 o 22.01828 0.8766951 0.000000       0.000000  ?              ?         4.861273       0.3860663 ?              ?         
1 1 1 -20 30 11 o 29.49989 0.6879624 8.721732       0.4048436 8.866281       0.5964889 8.598276       0.5512536 0.4464188      1.375925  
1 1 1 -20 30 12 f 19.52807 0.7033318 3.797948       0.2720638 4.028828       0.4194460 3.630266       0.3574580 1.009485       1.406664  
1 1 1 -20 30 13 f 8.693197 1.169479  0.7629495      0.1909561 0.8970039      0.3157329 0.6856327      0.2397815 1.154653       2.338958  
1 1 1 -20 30 14 o 33.09320 0.7457874 10.87208       0.4895840 11.93746       0.7528971 10.09154       0.6444390 2.768576       1.491575  
1 1 1 -20 30 15 o 16.26230 0.8568184 2.759598       0.2679710 2.149236       0.4085292 3.220533       0.3550168 -3.304914      1.713637  
1 1 1 -20 30 16 o 29.36161 0.7527569 8.681849       0.4402226 7.806350       0.6243278 9.547553       0.6208245 -2.965750      1.505514  
1 1 1 -20 30 17 f 27.43298 0.7746753 7.606923       0.4213141 6.492330       0.5985267 8.701639       0.5931658 -4.027752      1.549351  
1 1 1 -20 30 18 f 49.99950 0.9243228 25.14065       0.9233938 25.28330       1.337713  25.01081       1.276209  0.2586250      1.848646  
1 1 1 -20 30 19 o 28.73433 0.7941120 8.333225       0.4539997 7.506454       0.6506253 9.117813       0.6338099 -2.807156      1.588224  
1 1 1 -20 30 20 o 22.25297 0.8491561 4.987299       0.3723384 4.916762       0.5761506 5.037885       0.4879133 -0.2907791     1.698312  
1 1 1 -20 30 21 o 22.01561 1.118231  0.000000       0.000000  ?              ?         4.868769       0.4923707 ?              ?         
1 1 1 -20 31 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 31 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 31 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -20 31 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 0  1  o 81.12537 1.845794  65.93118       2.991368  65.93118       2.991368  65.93118       2.991368  -0.000000      0.000000  
1 1 1 -19 0  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 0  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 0  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 0  5  f 83.15130 1.872611  69.26250       3.110687  69.26250       3.110687  69.26250       3.110687  -0.000000      0.000000  
1 1 1 -19 0  6  o 42.54737 0.8572187 18.13696       0.7278717 17.72682       1.012678  18.57531       1.046907  -0.000000      0.000000  
1 1 1 -19 0  7  o 173.9525 2.596961  303.2314       9.025129  300.9185       12.65931  305.6220       12.87023  -0.000000      0.000000  
1 1 1 -19 0  8  o 182.7003 2.724670  334.0655       9.934082  325.0543       13.65152  344.2081       14.48316  -0.000000      0.000000  
1 1 1 -19 0  9  o 228.1275 3.380030  521.8730       15.40623  520.1450       21.71316  523.6251       21.86300  -0.000000      0.000000  
1 1 1 -19 0  10 o 55.46911 0.9839216 30.82909       1.089996  30.68033       1.535041  30.98037       1.548015  -0.000000      0.000000  
1 1 1 -19 0  11 o 21.49067 0.8698096 4.642305       0.3699918 4.419218       0.4985867 4.915723       0.5519710 -0.000000      0.000000  
1 1 1 -19 0  12 o 278.0823 4.110084  775.9458       22.83382  782.4720       32.59573  769.6573       31.99641  -0.000000      0.000000  
1 1 1 -19 0  13 o 18.37470 0.9713048 3.377232       0.3498492 2.896845       0.4631135 4.015773       0.5339327 -0.000000      0.000000  
1 1 1 -19 0  14 o 15.74410 1.099967  2.582547       0.3333113 3.103238       0.4703633 2.057361       0.4723899 -0.000000      0.000000  
1 1 1 -19 0  15 o 63.42891 1.085278  40.30558       1.374893  39.93828       1.931867  40.68257       1.957164  -0.000000      0.000000  
1 1 1 -19 0  16 o 89.09070 1.409496  79.51307       2.508655  79.36404       3.542207  79.66304       3.553367  -0.000000      0.000000  
1 1 1 -19 0  17 o 33.24085 0.8365642 11.07897       0.5542397 11.63796       0.7989560 10.56044       0.7695004 -0.000000      0.000000  
1 1 1 -19 0  18 o 116.9752 1.793543  137.0523       4.190670  135.3251       5.852167  138.8702       6.003744  -0.000000      0.000000  
1 1 1 -19 0  19 f 19.22945 0.9928991 3.727630       0.3762538 3.395211       0.5063021 4.137645       0.5622988 -0.000000      0.000000  
1 1 1 -19 0  20 o 222.9050 3.309237  498.3768       14.73785  500.8368       20.95355  495.9683       20.73313  -0.000000      0.000000  
1 1 1 -19 0  21 o 5.911337 2.122058  0.5157384      0.3098055 0.5296627      0.4126092 0.4977430      0.4690621 -0.000000      0.000000  
1 1 1 -19 0  22 o 70.81551 1.188611  50.17450       1.679790  48.65622       2.315692  51.86067       2.440372  -0.000000      0.000000  
1 1 1 -19 0  23 o 50.13162 0.9600327 25.19102       0.9609878 25.33937       1.362358  25.04410       1.355750  -0.000000      0.000000  
1 1 1 -19 0  24 o 21.83110 0.9938646 4.808799       0.4292135 4.390646       0.5889841 5.282334       0.6267761 -0.000000      0.000000  
1 1 1 -19 0  25 o 59.68315 1.064774  35.67723       1.268746  34.93742       1.766001  36.46639       1.823960  -0.000000      0.000000  
1 1 1 -19 0  26 o 109.7146 1.698494  120.5877       3.721992  119.0254       5.191137  122.2405       5.339375  -0.000000      0.000000  
1 1 1 -19 0  27 o 28.65736 0.8807031 8.244268       0.5021925 7.894360       0.6913832 8.635060       0.7306580 -0.000000      0.000000  
1 1 1 -19 0  28 o 173.7815 2.606144  302.9157       9.046376  298.9384       12.61542  307.1259       12.97936  -0.000000      0.000000  
1 1 1 -19 0  29 o 29.11468 0.8853170 8.526845       0.5133193 8.472795       0.7331012 8.578835       0.7189906 -0.000000      0.000000  
1 1 1 -19 0  30 f 21.67969 1.006943  4.764318       0.4317367 5.170463       0.6157407 4.371541       0.6055235 -0.000000      0.000000  
1 1 1 -19 0  31 o 28.26522 0.8778982 8.041108       0.4939629 8.163998       0.6910938 7.912754       0.7062922 -0.000000      0.000000  
1 1 1 -19 0  32 o 19.61467 1.023303  3.904022       0.3964426 3.623035       0.5483740 4.211668       0.5737987 -0.000000      0.000000  
1 1 1 -19 0  33 o 143.5449 2.179431  206.6636       6.246959  210.8222       9.018636  202.8279       8.661267  -0.000000      0.000000  
1 1 1 -19 0  34 o 139.9293 2.131037  196.5182       5.957113  194.7867       8.352106  198.3112       8.499078  -0.000000      0.000000  
1 1 1 -19 0  35 o 109.5270 1.709792  120.3247       3.740535  121.6077       5.354825  119.1022       5.227311  -0.000000      0.000000  
1 1 1 -19 0  36 o 42.63450 0.9273828 18.23255       0.7889842 17.80763       1.104853  18.67472       1.127063  -0.000000      0.000000  
1 1 1 -19 0  37 o 78.20187 1.297969  61.32467       2.027539  61.02483       2.855290  61.62963       2.879610  -0.000000      0.000000  
1 1 1 -19 0  38 f 4.687029 1.969631  0.2153008      0.3234535 0.4925933E-01  0.4444245 0.4023115      0.4716535 -0.000000      0.000000  
1 1 1 -19 0  39 o 58.85813 1.090790  34.74063       1.281976  34.32313       1.798909  35.17147       1.827403  -0.000000      0.000000  
1 1 1 -19 0  40 o 77.08316 1.298432  59.60333       1.999222  59.56462       2.827014  59.64206       2.827639  -0.000000      0.000000  
1 1 1 -19 0  41 o 25.24836 1.058713  6.425029       0.5287660 5.722009       0.7259287 7.219598       0.7717491 -0.000000      0.000000  
1 1 1 -19 0  42 o 10.23775 2.070098  1.305789       0.3765451 1.650219       0.5326722 0.9617638      0.5323584 -0.000000      0.000000  
1 1 1 -19 0  43 o 38.78589 0.9594404 15.09372       0.7416852 15.62059       1.075164  14.61536       1.024474  -0.000000      0.000000  
1 1 1 -19 0  44 o 85.96850 1.422599  74.20664       2.442953  74.13516       3.464371  74.27734       3.445422  -0.000000      0.000000  
1 1 1 -19 0  45 o 8.364320 2.105097  0.9178489      0.3930391 1.538570       0.5633968 0.3293441      0.5485817 -0.000000      0.000000  
1 1 1 -19 0  46 o 37.25900 0.9919673 13.96137       0.7364080 13.95799       1.061056  13.96450       1.022870  -0.000000      0.000000  
1 1 1 -19 0  47 o 25.14482 1.069655  6.401467       0.5338564 6.309202       0.7515864 6.495420       0.7584341 -0.000000      0.000000  
1 1 1 -19 0  48 o 33.46076 1.038842  11.28039       0.6922454 11.05498       0.9755245 11.50903       0.9824781 -0.000000      0.000000  
1 1 1 -19 0  49 o 33.33166 1.040458  11.19553       0.6905494 11.23904       0.9875779 11.15391       0.9659498 -0.000000      0.000000  
1 1 1 -19 0  50 o 61.08716 1.178074  37.48117       1.436514  36.27282       2.009226  38.74472       2.054610  -0.000000      0.000000  
1 1 1 -19 0  51 o 62.77947 1.190946  39.52982       1.491350  37.85862       2.052151  41.40026       2.171043  -0.000000      0.000000  
1 1 1 -19 0  52 f 22.94456 1.235229  5.379658       0.5585715 4.907176       0.7872685 5.858608       0.7926374 -0.000000      0.000000  
1 1 1 -19 0  53 o 18.77559 1.438434  3.689928       0.5224052 4.275288       0.7387516 3.104437       0.7388336 -0.000000      0.000000  
1 1 1 -19 0  54 o 20.35579 1.356105  4.270044       0.5428387 4.324673       0.7785417 4.218359       0.7572795 -0.000000      0.000000  
1 1 1 -19 0  55 f 14.75079 1.975154  2.403390       0.5227801 2.518875       0.7375405 2.286783       0.7411179 -0.000000      0.000000  
1 1 1 -19 0  56 f 42.46511 1.344347  18.36213       1.086112  18.69375       1.357550  17.77237       1.810401  -0.000000      0.000000  
1 1 1 -19 0  57 f 34.65499 2.946937  12.41544       2.014140  12.41544       2.014140  12.41544       2.014140  -0.000000      0.000000  
1 1 1 -19 0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 1  1  o 83.34143 1.320545  69.26567       2.195436  72.51717       3.248503  66.53193       2.978651  3.587227       2.641089  
1 1 1 -19 1  2  o 78.90709 1.081228  63.45150       1.670612  69.88823       2.223993  55.11604       2.530843  9.363701       2.162457  
1 1 1 -19 1  3  o 122.7734 1.318975  150.7819       3.238321  149.4140       4.537851  152.2013       4.622682  -1.134064      2.637951  
1 1 1 -19 1  4  o 49.11164 0.8111346 23.53261       0.7279837 22.71793       0.8612026 25.57194       1.362563  -2.901833      1.622269  
1 1 1 -19 1  5  o 141.5594 2.132570  200.4527       6.033223  196.2390       8.341590  205.0750       8.736646  -3.113052      4.265139  
1 1 1 -19 1  6  o 135.0585 2.039070  182.5981       5.507619  181.6407       7.744228  183.5780       7.834455  -0.7154999     4.078141  
1 1 1 -19 1  7  o 179.3591 2.674489  321.7738       9.580285  312.9966       13.13740  331.7429       14.00093  -5.204468      5.348977  
1 1 1 -19 1  8  o 88.25699 1.223539  75.35778       1.954414  83.94019       3.739095  72.13151       2.292519  6.673729       2.447077  
1 1 1 -19 1  9  o 106.3758 1.160368  111.9270       2.447002  104.2404       3.214114  122.5254       3.774114  -8.588509      2.320736  
1 1 1 -19 1  10 f 35.02495 0.5833763 12.19660       0.4073861 11.33920       0.5505064 13.23456       0.6057029 -2.705429      1.166753  
1 1 1 -19 1  11 o 157.7980 1.672100  248.9779       5.273320  254.4510       7.632096  243.9781       7.294551  3.313126       3.344201  
1 1 1 -19 1  12 o 188.8326 1.986736  356.8450       7.501290  361.5557       10.75532  352.3831       10.46739  2.423325       3.973472  
1 1 1 -19 1  13 o 150.9156 1.600718  227.8880       4.831000  226.1463       6.775900  229.6888       6.889652  -1.171921      3.201435  
1 1 1 -19 1  14 o 188.8871 1.987146  356.6782       7.498017  347.6154       10.30782  366.8622       10.92683  -5.082733      3.974292  
1 1 1 -19 1  15 f 161.2190 1.704758  260.0777       5.495853  262.8157       7.859565  257.4580       7.687897  1.658676       3.409516  
1 1 1 -19 1  16 o 117.5292 1.269390  137.6884       2.974965  144.5193       4.416416  132.0140       4.025216  5.314964       2.538780  
1 1 1 -19 1  17 o 34.28891 0.6010700 11.72730       0.4116513 11.08612       0.5653582 12.45081       0.6005607 -1.989754      1.202140  
1 1 1 -19 1  18 o 52.82523 0.6887410 27.66205       0.7237079 30.27898       1.095530  25.63581       0.9639959 4.393860       1.377482  
1 1 1 -19 1  19 o 108.8679 1.186466  118.4796       2.581719  116.0616       3.575121  121.1148       3.732144  -2.318695      2.372932  
1 1 1 -19 1  20 o 162.2165 1.719805  263.1324       5.574910  257.4008       7.697229  269.4564       8.085307  -3.708267      3.439610  
1 1 1 -19 1  21 o 112.7515 1.226565  127.1546       2.765203  125.5996       3.857692  128.7979       3.965719  -1.416710      2.453129  
1 1 1 -19 1  22 o 98.02570 1.085265  96.04327       2.126153  98.34046       3.077893  93.94660       2.940480  2.239288       2.170530  
1 1 1 -19 1  23 o 136.3771 1.459755  186.1129       3.981030  184.4441       5.576633  187.8472       5.684983  -1.245483      2.919509  
1 1 1 -19 1  24 o 91.53064 1.024253  83.80849       1.874883  83.19971       2.632955  84.43473       2.670412  -0.6740723     2.048506  
1 1 1 -19 1  25 f 86.14922 0.9786651 73.71915       1.677198  69.44569       2.236330  79.21286       2.535588  -5.664085      1.957330  
1 1 1 -19 1  26 o 176.0628 1.859696  310.3461       6.545911  305.6721       9.106283  315.3435       9.416121  -2.736908      3.719393  
1 1 1 -19 1  27 o 86.48210 0.9804633 74.41863       1.688920  70.55798       2.267773  79.22681       2.530803  -5.007095      1.960927  
1 1 1 -19 1  28 o 115.2086 1.253916  132.4763       2.882602  138.2179       4.253578  127.5999       3.920047  4.599289       2.507832  
1 1 1 -19 1  29 o 93.18580 1.043592  86.74081       1.942279  84.08192       2.663622  89.75985       2.838286  -3.042358      2.087185  
1 1 1 -19 1  30 o 39.92454 0.6319452 15.71078       0.5008575 18.12579       0.7654439 13.90260       0.6623313 5.287304       1.263890  
1 1 1 -19 1  31 o 64.07592 0.7871794 41.07349       1.008711  41.45295       1.437181  40.70506       1.416119  0.5831108      1.574359  
1 1 1 -19 1  32 o 108.8273 1.195736  118.3190       2.597923  122.9167       3.813974  114.3392       3.548419  3.930580       2.391472  
1 1 1 -19 1  33 o 53.32130 0.7095813 28.40655       0.7560868 27.52161       1.043543  29.38445       1.096995  -1.745514      1.419163  
1 1 1 -19 1  34 o 88.70746 1.007194  78.38630       1.780353  74.50291       2.396684  83.16751       2.659350  -4.873787      2.014387  
1 1 1 -19 1  35 o 118.8816 1.295978  141.4475       3.078368  137.9083       4.242363  145.3834       4.473790  -3.130859      2.591956  
1 1 1 -19 1  36 o 62.80281 0.7895043 39.25559       0.9882153 36.96993       1.331396  42.05957       1.474653  -4.046913      1.579009  
1 1 1 -19 1  37 o 95.05992 1.070585  90.50381       2.035340  90.85947       2.891069  90.15431       2.865907  0.3695908      2.141170  
1 1 1 -19 1  38 o 66.87030 0.8238418 44.75156       1.101665  44.16455       1.542669  45.36249       1.573775  -0.8943710     1.647684  
1 1 1 -19 1  39 o 88.54219 1.014135  77.98955       1.786929  73.50304       2.387092  83.70829       2.695037  -5.745766      2.028270  
1 1 1 -19 1  40 o 17.73355 0.8395724 3.156049       0.2957237 3.631047       0.4226227 2.700355       0.4139453 2.623667       1.679145  
1 1 1 -19 1  41 o 43.34740 0.9830784 18.81578       0.8518497 18.54269       1.182802  19.11008       1.227856  -0.6514244     1.966157  
1 1 1 -19 1  42 o 49.94333 0.7171543 24.96015       0.7161835 25.36949       1.026094  24.57130       1.000080  0.7977905      1.434309  
1 1 1 -19 1  43 o 54.14256 0.7466717 29.33612       0.8082863 29.91148       1.160811  28.79460       1.126155  1.029400       1.493343  
1 1 1 -19 1  44 o 65.95900 0.8312392 43.50706       1.095433  45.12186       1.593890  42.06155       1.508025  2.313782       1.662478  
1 1 1 -19 1  45 o 27.81183 0.7169022 7.718771       0.3974470 8.661860       0.5793764 6.880487       0.5462362 3.200304       1.433804  
1 1 1 -19 1  46 o 54.18056 0.7582215 29.26417       0.8194268 27.49437       1.110464  31.37992       1.214155  -3.577557      1.516443  
1 1 1 -19 1  47 o 22.31989 0.7803251 4.983489       0.3464724 5.723961       0.5016975 4.308337       0.4790581 3.169302       1.560650  
1 1 1 -19 1  48 f 29.80481 0.7325784 8.897054       0.4364902 9.276058       0.6223733 8.530185       0.6123300 1.250393       1.465157  
1 1 1 -19 1  49 o 49.92977 0.7498767 24.98066       0.7488173 25.12193       1.060154  24.84001       1.057825  0.2820854      1.499753  
1 1 1 -19 1  50 o 44.29132 0.7369447 19.60726       0.6519470 20.74573       0.9514753 18.59973       0.8950905 2.416962       1.473889  
1 1 1 -19 1  51 o 46.09607 0.7484940 21.29454       0.6900175 21.11086       0.9698621 21.48282       0.9819137 -0.4021835     1.496988  
1 1 1 -19 1  52 o 22.80530 0.8619695 5.197806       0.3875862 4.085985       0.5291105 6.485209       0.5693591 -5.255180      1.723939  
1 1 1 -19 1  53 f 35.00659 0.7679948 12.20189       0.5350941 10.66308       0.7263216 14.02847       0.7913248 -4.798592      1.535990  
1 1 1 -19 1  54 o 41.18343 0.7678437 16.99415       0.6320422 16.17566       0.8799495 17.86646       0.9084154 -2.048923      1.535687  
1 1 1 -19 1  55 o 38.29031 0.8467937 14.79168       0.6425453 14.08307       0.9631035 15.36008       0.8625772 -1.682739      1.693587  
1 1 1 -19 1  56 f 6.049338 1.814989  -0.9358825E-01 0.4063898 -0.5420996     0.5923742 0.3051793      0.5585593 -1.906104      3.629978  
1 1 1 -19 1  57 o 22.79683 3.460282  5.378065       1.577670  5.378065       1.577670  ?              ?         ?              ?         
1 1 1 -19 1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 2  1  o 152.5353 1.616886  232.4035       4.924824  240.3329       7.212332  225.4765       6.741037  4.862076       3.233772  
1 1 1 -19 2  2  o 65.48352 0.7776719 42.76289       1.016427  44.79295       1.496608  41.02487       1.384785  2.876251       1.555344  
1 1 1 -19 2  3  o 31.46102 0.5564665 9.840794       0.3491087 10.82710       0.5166572 9.012106       0.4735793 2.884275       1.112933  
1 1 1 -19 2  4  o 178.8921 1.886664  319.8475       6.741768  311.1863       9.260786  329.6133       9.833575  -5.139923      3.773328  
1 1 1 -19 2  5  o 150.3948 1.844869  225.9877       5.541102  219.3333       7.594096  233.5644       8.103268  -4.722336      3.689739  
1 1 1 -19 2  6  o 113.5488 1.741409  128.3646       3.937965  122.1872       5.285061  136.0750       5.904537  -6.105179      3.482818  
1 1 1 -19 2  7  o 130.1345 1.393016  169.2891       3.623096  173.2445       5.242292  165.6721       5.013056  2.906464       2.786031  
1 1 1 -19 2  8  o 110.7754 1.457040  124.5430       3.121492  130.2934       3.991660  115.4906       5.008220  6.695145       2.914080  
1 1 1 -19 2  9  o 190.0765 2.829815  362.0451       10.75728  363.7331       15.28661  360.3891       15.14063  0.8757782      5.659630  
1 1 1 -19 2  10 o 289.0649 4.272565  837.9474       24.65770  867.2002       36.17350  812.5582       33.70022  9.351837       8.545131  
1 1 1 -19 2  11 o 138.7984 2.099323  192.5667       5.819390  198.4482       8.504383  187.3877       7.980313  3.973892       4.198645  
1 1 1 -19 2  12 o 139.9395 1.839854  193.9305       4.773863  201.5366       8.617924  190.5633       5.734007  3.870468       3.679708  
1 1 1 -19 2  13 o 94.59649 1.045896  89.49541       1.978441  88.64649       2.768304  90.38165       2.828543  -0.9165192     2.091793  
1 1 1 -19 2  14 f 140.6566 1.498193  197.7913       4.211486  193.6587       5.822917  202.3245       6.098518  -3.076385      2.996387  
1 1 1 -19 2  15 o 241.4038 2.523001  582.0012       12.14836  607.5984       17.98746  560.5327       16.47302  9.709396       5.046001  
1 1 1 -19 2  16 o 107.4844 1.173564  115.5632       2.522586  114.6292       3.539877  116.5268       3.595730  -0.8820801     2.347127  
1 1 1 -19 2  17 o 269.3904 2.810980  726.8610       15.13450  742.3900       21.89672  712.6567       20.94202  5.489929       5.621960  
1 1 1 -19 2  18 o 131.4598 1.408725  172.7575       3.700964  168.9478       5.114651  176.9447       5.362014  -3.037750      2.817449  
1 1 1 -19 2  19 o 56.14953 0.7139699 31.09133       0.7949093 34.93122       1.226262  28.30830       1.043958  5.896107       1.427940  
1 1 1 -19 2  20 o 42.86488 0.6318600 17.97102       0.5352575 21.19731       0.8390219 15.75682       0.6950724 6.345036       1.263720  
1 1 1 -19 2  21 o 117.6181 1.273150  138.3330       2.993453  135.8698       4.156050  140.9886       4.315196  -2.173561      2.546300  
1 1 1 -19 2  22 o 143.8820 1.533872  207.0405       4.411199  211.4916       6.374714  202.9508       6.110430  2.962708       3.067744  
1 1 1 -19 2  23 o 175.4814 1.852724  308.3510       6.502191  309.6152       9.236801  307.1093       9.154722  0.7118530      3.705448  
1 1 1 -19 2  24 o 115.4531 1.255220  133.3789       2.898282  134.1529       4.119506  132.6203       4.078382  0.6629181      2.510439  
1 1 1 -19 2  25 o 187.1747 1.972775  350.7634       7.381447  344.9153       10.24874  357.0667       10.64014  -3.233582      3.945549  
1 1 1 -19 2  26 f 48.00851 0.6708780 22.66189       0.6380053 25.99790       0.9891708 20.28543       0.8348769 5.947666       1.341756  
1 1 1 -19 2  27 o 126.1988 1.362159  159.3949       3.437591  161.0248       4.910590  157.8285       4.813828  1.263824       2.724319  
1 1 1 -19 2  28 o 83.01230 0.9503791 68.42441       1.568784  73.68746       2.377774  64.36743       2.087628  5.607658       1.900758  
1 1 1 -19 2  29 f 87.02818 0.9869012 75.66666       1.715681  78.14766       2.501971  73.46452       2.357177  2.687233       1.973802  
1 1 1 -19 2  30 o 56.90850 0.7325174 32.38428       0.8334896 32.97767       1.196398  31.82468       1.161826  1.012363       1.465035  
1 1 1 -19 2  31 o 97.76994 1.089615  95.43774       2.126326  99.41563       3.129372  92.02612       2.898088  3.771530       2.179231  
1 1 1 -19 2  32 o 69.71516 0.8376274 48.60848       1.167541  47.65200       1.626423  49.62544       1.677045  -1.413971      1.675255  
1 1 1 -19 2  33 o 73.50081 0.8708171 53.86586       1.276961  51.38918       1.733295  56.80582       1.888458  -3.680099      1.741634  
1 1 1 -19 2  34 o 72.88123 0.8658872 53.15366       1.262034  52.64517       1.770928  53.67839       1.798974  -0.7078934     1.731774  
1 1 1 -19 2  35 o 113.2297 1.241156  128.1345       2.805145  123.6538       3.824758  133.3503       4.126558  -4.265259      2.482313  
1 1 1 -19 2  36 o 59.62034 0.7643089 35.26004       0.9061059 38.44566       1.374522  32.81174       1.205001  4.718868       1.528618  
1 1 1 -19 2  37 o 134.3730 1.451426  180.8734       3.896858  176.4383       5.370466  185.8051       5.663156  -3.464447      2.902853  
1 1 1 -19 2  38 o 80.90800 0.9437677 65.18638       1.520938  69.43072       2.279038  61.77818       2.042251  4.717300       1.887535  
1 1 1 -19 2  39 o 35.11498 0.6509279 12.30945       0.4565913 12.98740       0.6655851 11.70681       0.6275293 1.822063       1.301856  
1 1 1 -19 2  40 f 43.68541 0.9414673 19.10310       0.8223478 18.61871       1.147597  19.61435       1.178990  -1.137764      1.882935  
1 1 1 -19 2  41 o 101.6713 1.401639  103.5600       2.681226  104.3909       4.671613  103.1519       3.274190  0.4750137      2.803278  
1 1 1 -19 2  42 o 92.51057 1.056499  85.61549       1.952147  82.89579       2.678261  88.69814       2.851369  -3.123169      2.112998  
1 1 1 -19 2  43 o 19.75829 0.8106423 3.909381       0.3203249 3.862721       0.4509474 3.956903       0.4550967 -0.2380676     1.621285  
1 1 1 -19 2  44 o 19.34691 0.8334383 3.749390       0.3224845 3.727680       0.4561973 3.771074       0.4559266 -0.1121674     1.666877  
1 1 1 -19 2  45 o 20.13742 0.8245131 4.041223       0.3288839 4.886257       0.4837295 3.314822       0.4484911 3.899012       1.649026  
1 1 1 -19 2  46 o 40.50754 0.7008758 16.42824       0.5677171 16.64882       0.8121229 16.21744       0.7939326 0.5311356      1.401752  
1 1 1 -19 2  47 o 4.509468 1.425210  -0.2444364     0.2738500 -0.5076438     0.3843744 0.2688975E-01  0.3902574 -1.392209      2.850420  
1 1 1 -19 2  48 o 19.21095 0.8930802 3.699471       0.3430809 3.609884       0.4809058 3.792324       0.4895901 -0.4739075     1.786160  
1 1 1 -19 2  49 o 55.60953 0.7901040 30.91658       0.8775502 29.47646       1.203489  32.55161       1.282349  -2.756882      1.580208  
1 1 1 -19 2  50 o 57.23505 0.9797930 32.86255       1.060508  32.93121       1.826328  32.82762       1.302623  0.2171326E-01  1.959586  
1 1 1 -19 2  51 o 18.88706 1.292417  3.609478       0.4842094 4.145099       0.6857467 3.076882       0.6838085 2.827549       2.584834  
1 1 1 -19 2  52 o 16.61315 1.427066  2.780124       0.4709755 3.236104       0.6820939 2.364635       0.6511061 2.616319       2.854133  
1 1 1 -19 2  53 o 35.41027 1.067903  12.49195       0.7528344 13.96800       1.130149  11.31448       1.009393  3.725319       2.135806  
1 1 1 -19 2  54 o 37.74133 1.077367  14.32903       0.8130428 14.00166       1.151057  14.65499       1.148579  -0.8660164     2.154735  
1 1 1 -19 2  55 o 55.93909 1.168725  31.51112       1.307382  30.87655       1.845986  32.14974       1.851862  -1.136776      2.337451  
1 1 1 -19 2  56 o 41.35947 1.082750  17.12613       0.8932515 18.66550       1.320717  15.82830       1.212683  3.406906       2.165500  
1 1 1 -19 2  57 o 21.18709 2.004680  4.542114       0.8494666 4.542114       0.8494666 ?              ?         ?              ?         
1 1 1 -19 2  58 o 34.60970 3.022127  12.32017       2.091898  12.32017       2.091898  ?              ?         ?              ?         
1 1 1 -19 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 3  1  o 231.0349 2.416003  534.5881       11.16177  540.0107       15.95979  529.3966       15.61607  2.288422       4.832006  
1 1 1 -19 3  2  o 128.8493 1.378255  165.9648       3.549182  169.8126       5.137961  162.4531       4.908500  2.852615       2.756510  
1 1 1 -19 3  3  o 36.07142 0.5691590 12.97580       0.4099770 12.34326       0.5611950 13.69974       0.6003762 -1.880054      1.138318  
1 1 1 -19 3  4  o 165.9668 1.751502  275.5602       5.811619  279.9955       8.357966  271.4083       8.086496  2.582352       3.503004  
1 1 1 -19 3  5  o 179.7839 1.891542  323.2307       6.795870  316.2960       9.387322  330.8676       9.851064  -4.044022      3.783084  
1 1 1 -19 3  6  o 41.06257 0.5933963 16.85317       0.4871668 16.48465       0.6783899 17.24558       0.7000358 -0.9264297     1.186793  
1 1 1 -19 3  7  o 76.00484 0.8717369 57.56357       1.321537  55.01542       1.790768  60.61088       1.958322  -3.679588      1.743474  
1 1 1 -19 3  8  o 47.75825 0.7475196 22.80711       0.7139285 22.41948       1.001369  23.20784       1.018134  -0.8252449     1.495039  
1 1 1 -19 3  9  o 245.2447 2.959949  602.5887       14.51208  593.4515       20.17551  612.3840       20.88946  -3.839615      5.919899  
1 1 1 -19 3  10 o 74.40922 0.8577204 55.27874       1.274823  57.28381       1.860806  53.50529       1.750032  2.538101       1.715441  
1 1 1 -19 3  11 o 62.39968 0.9406406 38.86736       1.097945  38.72346       1.333246  39.17057       1.935392  -0.3528404     1.881281  
1 1 1 -19 3  12 f 110.5655 1.563166  120.7867       3.330379  116.7935       4.151421  127.9968       5.578336  -5.044464      3.126333  
1 1 1 -19 3  13 o 150.8184 2.268743  227.6145       6.838785  223.1906       9.466561  232.4434       9.890359  -3.057907      4.537487  
1 1 1 -19 3  14 f 138.7776 2.100002  191.9899       5.807773  202.4554       8.665355  183.4547       7.825560  6.827744       4.200003  
1 1 1 -19 3  15 o 96.02151 1.507125  92.23157       2.893553  90.97530       4.036127  93.56003       4.150473  -1.344116      3.014251  
1 1 1 -19 3  16 f 128.4836 1.693597  164.5420       4.075765  167.1616       7.179816  163.2965       4.950786  1.464470       3.387194  
1 1 1 -19 3  17 o 108.5372 1.182616  117.7810       2.565879  115.6714       3.561708  120.0572       3.699623  -2.018631      2.365232  
1 1 1 -19 3  18 o 83.35998 0.9437534 69.46084       1.572631  68.09259       2.182408  70.93870       2.268141  -1.706223      1.887507  
1 1 1 -19 3  19 o 178.0041 1.876627  317.0247       6.677520  311.5912       9.267506  322.8915       9.629789  -3.166367      3.753255  
1 1 1 -19 3  20 o 21.65120 0.6666094 4.612918       0.2840758 5.944136       0.4299536 3.581552       0.3784454 5.455606       1.333219  
1 1 1 -19 3  21 o 81.62286 0.9309179 66.17850       1.511840  71.08326       2.282852  62.34681       2.017737  5.348618       1.861836  
1 1 1 -19 3  22 o 41.28878 0.6376805 16.82776       0.5231288 19.33068       0.7945979 14.91297       0.6949974 5.348911       1.275361  
1 1 1 -19 3  23 o 212.8154 2.233186  453.3951       9.497030  464.2918       13.77529  443.5240       13.11098  4.857391       4.466373  
1 1 1 -19 3  24 o 113.5048 1.235514  128.9129       2.804599  128.1489       3.942928  129.6953       3.990096  -0.6802826     2.471028  
1 1 1 -19 3  25 f 292.0389 3.053271  856.5482       17.83331  858.4520       25.28541  854.6639       25.15532  0.6420288      6.106542  
1 1 1 -19 3  26 o 50.54036 0.6908287 25.41012       0.6960200 27.27526       1.036803  23.88000       0.9390783 3.357754       1.381657  
1 1 1 -19 3  27 o 95.71390 1.065857  91.66130       2.040165  92.37770       2.908598  90.96748       2.862415  0.7356796      2.131714  
1 1 1 -19 3  28 o 137.5894 1.476160  189.5580       4.061865  190.5991       5.779840  188.5420       5.709496  0.7452087      2.952321  
1 1 1 -19 3  29 o 56.77388 0.7315623 32.05582       0.8276365 34.43047       1.236826  30.13031       1.113737  3.784912       1.463125  
1 1 1 -19 3  30 o 103.4851 1.143607  106.5269       2.355253  113.7389       3.549611  100.8543       3.148083  6.212807       2.287215  
1 1 1 -19 3  31 o 73.22449 0.8650218 53.60805       1.265996  54.85386       1.830613  52.46603       1.752704  1.628403       1.730044  
1 1 1 -19 3  32 o 21.68611 0.6945826 4.664236       0.2987553 5.601052       0.4436606 3.886997       0.4041110 3.951054       1.389165  
1 1 1 -19 3  33 o 38.91767 0.6361744 15.14593       0.4950404 14.67923       0.6930312 15.63214       0.7073750 -1.223946      1.272349  
1 1 1 -19 3  34 o 76.61357 0.8995797 58.53785       1.374984  55.87978       1.866183  61.69433       2.033631  -3.788605      1.799159  
1 1 1 -19 3  35 f 58.97749 0.7576126 34.77494       0.8930561 35.70887       1.291807  33.91999       1.235986  1.514694       1.515225  
1 1 1 -19 3  36 o 66.43950 0.8177903 43.80625       1.080787  40.75084       1.439821  47.75002       1.635794  -5.259850      1.635581  
1 1 1 -19 3  37 o 107.0234 1.184145  114.5541       2.530871  118.5360       3.702581  111.0621       3.467370  3.477669       2.368291  
1 1 1 -19 3  38 o 75.52779 0.8992910 57.01367       1.356700  59.03623       1.980251  55.22452       1.862487  2.517700       1.798582  
1 1 1 -19 3  39 f 12.28690 1.048852  1.514237       0.2572172 1.627422       0.3640583 1.401423       0.3634625 0.9196424      2.097704  
1 1 1 -19 3  40 o 50.61677 0.7208501 25.64480       0.7296659 25.60618       1.039026  25.68238       1.024926  -0.7591248E-01 1.441700  
1 1 1 -19 3  41 o 35.29464 0.6811463 12.38175       0.4787693 10.94620       0.6494984 14.09000       0.7085075 -4.450836      1.362293  
1 1 1 -19 3  42 f 17.53214 0.8365079 3.066125       0.2927203 3.332560       0.4288810 2.833772       0.4005115 1.420795       1.673016  
1 1 1 -19 3  43 o 46.16180 0.7094507 21.17089       0.6524758 19.30516       0.8787245 23.46365       0.9741102 -4.498760      1.418901  
1 1 1 -19 3  44 o 15.46373 1.135608  2.209593       0.3367040 3.177357       0.5848147 1.729731       0.4118051 4.663485       2.271215  
1 1 1 -19 3  45 o 30.19020 0.9172257 9.181043       0.5488356 8.763913       0.8228859 9.515284       0.7366034 -1.252144      1.834451  
1 1 1 -19 3  46 o 35.53493 0.9605430 12.54378       0.6794545 14.06760       1.020451  11.33017       0.9106790 3.840675       1.921086  
1 1 1 -19 3  47 o 59.32233 1.114717  35.28207       1.321272  36.36721       1.920543  34.30695       1.820583  1.724052       2.229434  
1 1 1 -19 3  48 o 23.84779 1.092789  5.704818       0.5174500 4.821892       0.7153902 6.673585       0.7493606 -3.877851      2.185577  
1 1 1 -19 3  49 o 20.82975 1.210532  4.383506       0.4964786 3.445393       0.6907043 5.386347       0.7141355 -4.655424      2.421064  
1 1 1 -19 3  50 o 33.84165 0.8803000 11.19849       0.5638551 10.63826       0.6856710 12.36866       0.9909656 -2.520134      1.760600  
1 1 1 -19 3  51 o 27.70329 0.7977117 7.674138       0.4409481 8.456092       0.6404071 6.969226       0.6080406 2.679819       1.595423  
1 1 1 -19 3  52 o 45.27341 0.7607042 20.54161       0.6886951 20.89075       0.9840810 20.20646       0.9641485 0.7534637      1.521408  
1 1 1 -19 3  53 o 24.20513 0.8521439 5.886434       0.4118994 5.535140       0.5841628 6.233790       0.5808784 -1.443665      1.704288  
1 1 1 -19 3  54 o 6.265476 1.739860  0.2352938      0.3181800 0.2224267      0.4450512 0.2487465      0.4550647 -0.1453271     3.479721  
1 1 1 -19 3  55 o 55.53708 0.8912384 31.09146       0.9832729 29.79996       1.460497  32.16215       1.329791  -2.147865      1.782477  
1 1 1 -19 3  56 o 28.98359 1.165437  8.461802       0.6754575 8.666355       0.9645854 8.264988       0.9461632 0.6881466      2.330874  
1 1 1 -19 3  57 o 48.30443 1.141265  23.49711       1.101304  23.90818       1.601735  23.12853       1.516700  0.7863007      2.282531  
1 1 1 -19 3  58 f 17.56085 4.208964  3.375423       1.461220  3.375423       1.461220  ?              ?         ?              ?         
1 1 1 -19 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 4  1  o 120.5589 1.296523  145.4160       3.126089  145.0273       4.405020  145.8104       4.437068  -0.3243027     2.593047  
1 1 1 -19 4  2  o 104.7304 1.140484  109.6626       2.387734  107.7532       3.315935  111.7188       3.441072  -1.891731      2.280967  
1 1 1 -19 4  3  o 48.37091 0.6387478 23.30528       0.6164116 24.74203       0.9117837 22.09588       0.8365433 2.734772       1.277496  
1 1 1 -19 4  4  o 184.3499 1.938655  339.7767       7.139936  331.3908       9.825144  349.1610       10.39361  -4.808441      3.877310  
1 1 1 -19 4  5  o 80.67441 0.9116873 65.06900       1.470535  66.25391       2.112146  63.95431       2.048611  1.424652       1.823375  
1 1 1 -19 4  6  o 116.6260 1.258017  135.6743       2.927342  141.6587       4.323322  130.6078       3.977979  4.733444       2.516035  
1 1 1 -19 4  7  o 114.2284 1.234502  130.5287       2.820145  129.7785       3.963248  131.2982       4.013808  -0.6645432     2.469004  
1 1 1 -19 4  8  o 44.35138 0.6183410 19.40508       0.5444564 22.00502       0.8335883 17.47075       0.7190102 5.111053       1.236682  
1 1 1 -19 4  9  o 165.0740 1.743738  272.6213       5.755018  276.6429       8.266926  268.8397       8.016500  2.359192       3.487477  
1 1 1 -19 4  10 o 170.1610 2.076050  289.5010       7.057107  282.0815       9.704898  297.8268       10.28047  -4.614655      4.152101  
1 1 1 -19 4  11 o 60.23295 0.7388712 36.14806       0.8878667 34.43010       1.204790  38.19006       1.313509  -3.120373      1.477742  
1 1 1 -19 4  12 o 148.3342 1.575586  219.9422       4.669921  214.8237       6.439886  225.6189       6.781913  -3.633316      3.151172  
1 1 1 -19 4  13 o 153.3950 1.626707  234.1058       4.966165  222.4618       6.641301  248.8749       7.479636  -8.595367      3.253415  
1 1 1 -19 4  14 o 85.79783 0.9630818 73.57710       1.651637  72.09135       2.288911  75.19104       2.385624  -1.805405      1.926164  
1 1 1 -19 4  15 o 44.13364 0.7873586 20.07158       0.6646410 21.85987       0.8489505 17.23983       1.068295  5.235954       1.574717  
1 1 1 -19 4  16 o 44.35550 0.7992651 19.79941       0.6631681 20.02615       0.8084148 19.33286       1.159611  0.7845230      1.598530  
1 1 1 -19 4  17 o 96.38731 1.516124  92.38954       2.908428  87.44482       3.888312  98.66986       4.382096  -5.814514      3.032248  
1 1 1 -19 4  18 o 157.1263 2.361407  247.2291       7.418185  243.6540       10.32843  251.0384       10.66129  -2.340866      4.722814  
1 1 1 -19 4  19 o 81.71934 1.329513  66.36151       2.162028  71.26355       3.261697  62.51966       2.887521  5.344055       2.659025  
1 1 1 -19 4  20 o 67.42307 0.9928129 46.08934       1.278564  43.34064       2.120595  47.65924       1.602620  -3.208900      1.985626  
1 1 1 -19 4  21 o 171.0548 2.216295  293.3123       7.152736  292.6066       12.36429  293.6673       8.769018  -0.4142456     4.432589  
1 1 1 -19 4  22 f 133.5522 1.431812  177.5622       3.807784  188.2915       5.714107  168.9919       5.106940  7.212952       2.863623  
1 1 1 -19 4  23 f 72.17902 0.8520532 52.10729       1.229869  52.58066       1.755214  51.65072       1.723806  0.6437759      1.704106  
1 1 1 -19 4  24 o 146.1437 1.558271  213.8163       4.554623  213.7322       6.434854  213.9008       6.447584  -0.5732727E-01 3.116542  
1 1 1 -19 4  25 o 107.5832 1.180220  115.8008       2.539143  114.6616       3.558145  116.9829       3.624558  -1.077507      2.360441  
1 1 1 -19 4  26 o 39.05621 0.6376621 14.96347       0.4932550 12.81628       0.6484979 17.91081       0.7597808 -6.520695      1.275324  
1 1 1 -19 4  27 o 102.0088 1.126005  104.0399       2.295587  101.6988       3.174322  106.6064       3.323731  -2.401878      2.252011  
1 1 1 -19 4  28 o 128.3061 1.383560  164.5387       3.545265  170.0308       5.183745  159.7122       4.859475  4.010704       2.767120  
1 1 1 -19 4  29 o 111.4944 1.219673  124.4403       2.719682  124.9109       3.860586  123.9768       3.831996  0.4180145      2.439345  
1 1 1 -19 4  30 o 126.4513 1.366727  160.0799       3.455352  162.5012       4.963529  157.8031       4.813152  1.851707       2.733454  
1 1 1 -19 4  31 o 41.94116 0.6463680 17.51839       0.5409073 18.81134       0.7988549 16.42377       0.7350404 2.845009       1.292736  
1 1 1 -19 4  32 o 98.62529 1.097943  97.38089       2.165685  97.08593       3.056344  97.67836       3.069179  -0.2998657     2.195885  
1 1 1 -19 4  33 o 33.02788 0.6299636 10.89439       0.4157156 10.26785       0.5755768 11.57766       0.6010731 -1.982292      1.259927  
1 1 1 -19 4  34 o 50.74494 0.6971045 25.76353       0.7074392 25.93266       1.007740  25.59920       0.9933553 0.3281441      1.394209  
1 1 1 -19 4  35 o 29.07445 0.6538889 8.394161       0.3773110 7.041236       0.5118546 10.00416       0.5583715 -5.094048      1.307778  
1 1 1 -19 4  36 o 59.72028 0.7642760 35.51908       0.9098929 37.80815       1.355029  33.63936       1.227908  3.485611       1.528552  
1 1 1 -19 4  37 o 80.48201 0.9394024 64.80292       1.511072  66.25429       2.185949  63.47468       2.091159  1.722252       1.878805  
1 1 1 -19 4  38 o 87.02843 1.000850  75.71092       1.739415  78.38052       2.545630  73.37292       2.382295  2.868111       2.001700  
1 1 1 -19 4  39 o 10.11372 1.557927  1.082038       0.3020806 0.9733180      0.4741305 1.156327       0.3919257 -0.9165449     3.115855  
1 1 1 -19 4  40 o 50.84777 0.9949552 25.77995       1.008627  27.41213       1.500983  24.43612       1.361957  2.917267       1.989910  
1 1 1 -19 4  41 o 64.40405 1.140357  41.53409       1.467420  42.69785       2.133140  40.48862       2.021821  1.706223       2.280714  
1 1 1 -19 4  42 o 50.94937 1.018679  25.98644       1.036863  26.58838       1.508848  25.44785       1.427244  1.113094       2.037359  
1 1 1 -19 4  43 f 84.23569 1.385927  71.24020       2.333781  72.38345       3.362421  70.17750       3.241813  1.295525       2.771854  
1 1 1 -19 4  44 f 38.49373 0.8209786 14.47119       0.6013904 13.69883       0.7351461 16.03375       1.045643  -3.010033      1.641957  
1 1 1 -19 4  45 o 31.33143 0.8368100 10.10365       0.5078402 11.22579       0.6653744 8.537807       0.7859902 4.299603       1.673620  
1 1 1 -19 4  46 o 26.01654 0.7598757 6.760440       0.3946942 7.336631       0.5746517 6.245876       0.5430515 2.093735       1.519751  
1 1 1 -19 4  47 o 48.40416 0.7376584 23.43005       0.7134925 22.31673       0.9859785 24.65394       1.033780  -2.410248      1.475317  
1 1 1 -19 4  48 o 20.99484 0.8379961 4.414094       0.3516873 4.244189       0.4886789 4.596633       0.5065229 -0.8375111     1.675992  
1 1 1 -19 4  49 o 23.41787 0.8049281 5.488101       0.3764828 5.101839       0.5217683 5.907620       0.5437668 -1.718082      1.609856  
1 1 1 -19 4  50 o 21.81559 0.8540781 4.775660       0.3722644 4.523162       0.5260718 5.028908       0.5268517 -1.159044      1.708156  
1 1 1 -19 4  51 o 22.57936 0.8459228 5.105998       0.3815293 5.480673       0.5500984 4.758710       0.5296122 1.596195       1.691846  
1 1 1 -19 4  52 o 27.79855 0.7851189 7.740448       0.4362678 8.080507       0.6279271 7.423119       0.6065782 1.179836       1.570238  
1 1 1 -19 4  53 o 14.93651 1.143287  2.245517       0.3383499 2.669200       0.4894259 1.857665       0.4682727 2.712461       2.286575  
1 1 1 -19 4  54 o 20.91138 0.9436914 4.395322       0.3896481 5.365419       0.5650672 3.515875       0.5380186 4.417889       1.887383  
1 1 1 -19 4  55 o 20.68359 1.158468  4.070846       0.4513935 5.018038       0.8163492 3.653711       0.5417458 3.238852       2.316936  
1 1 1 -19 4  56 o 26.98298 1.171749  7.337407       0.6323046 7.237495       0.8937947 7.437506       0.8946335 -0.3704300     2.343498  
1 1 1 -19 4  57 o 22.97235 1.301548  5.323006       0.5974321 5.082144       0.8241429 5.589755       0.8673015 -1.092468      2.603095  
1 1 1 -19 4  58 o 31.73863 2.805337  10.32148       1.780751  10.32148       1.780751  ?              ?         ?              ?         
1 1 1 -19 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 5  1  o 111.8298 1.210688  125.1029       2.707592  126.1055       3.859553  124.1313       3.799382  0.8818588      2.421377  
1 1 1 -19 5  2  o 88.33315 0.9851948 77.19453       1.725834  84.47090       2.657061  71.88452       2.269825  7.120224       1.970390  
1 1 1 -19 5  3  o 82.49275 0.9309759 67.87781       1.532862  65.24072       2.088649  70.95627       2.256678  -3.462593      1.861952  
1 1 1 -19 5  4  o 227.5925 2.380344  518.8605       10.83488  520.0593       15.35918  517.6729       15.28675  0.5224457      4.760687  
1 1 1 -19 5  5  o 70.01826 0.8175513 48.69417       1.139156  45.82244       1.521528  52.35711       1.718397  -4.664711      1.635103  
1 1 1 -19 5  6  o 301.7452 3.147213  913.1221       18.99245  908.1725       26.72238  918.1746       26.99850  -1.648315      6.294427  
1 1 1 -19 5  7  o 42.79035 0.6137285 18.03096       0.5208358 20.60272       0.8021628 16.15657       0.6848223 5.194519       1.227457  
1 1 1 -19 5  8  o 155.6159 1.647454  242.2421       5.125343  238.5652       7.128475  246.1770       7.374442  -2.441483      3.294909  
1 1 1 -19 5  9  o 114.7732 1.243302  131.1862       2.843189  138.4489       4.248048  125.2929       3.826641  5.725876       2.486603  
1 1 1 -19 5  10 o 260.8067 2.722328  681.6812       14.19985  679.8109       20.02099  683.5743       20.14280  -0.7180176     5.444657  
1 1 1 -19 5  11 o 151.9146 1.610932  230.1996       4.881158  240.8113       7.230144  221.3126       6.616590  6.407227       3.221864  
1 1 1 -19 5  12 o 211.9094 2.881263  448.1648       11.87870  441.6638       15.08483  458.7760       19.27217  -3.910034      5.762526  
1 1 1 -19 5  13 o 268.7795 2.804966  723.9695       15.07506  715.8558       21.05800  732.4990       21.59068  -3.080017      5.609932  
1 1 1 -19 5  14 o 76.03934 0.8811237 56.96835       1.325515  63.62293       2.067031  52.32060       1.727462  7.428635       1.762247  
1 1 1 -19 5  15 o 225.1454 2.357018  507.7648       10.61307  505.3087       14.93448  510.2707       15.08494  -1.098022      4.714036  
1 1 1 -19 5  16 o 38.39233 0.6070893 14.73070       0.4659712 14.21647       0.6495405 15.27595       0.6688491 -1.379673      1.214179  
1 1 1 -19 5  17 o 188.0314 1.978768  353.9229       7.439852  358.0807       10.65301  349.9642       10.39482  2.152374       3.957536  
1 1 1 -19 5  18 o 45.44862 0.6441713 20.07763       0.5764993 24.19414       0.9185547 17.40233       0.7405037 7.470596       1.288343  
1 1 1 -19 5  19 o 123.0772 1.326770  151.3933       3.262735  147.7103       4.496754  155.4879       4.741366  -3.155602      2.653540  
1 1 1 -19 5  20 o 151.6181 1.986710  228.5550       5.610261  225.7067       6.772480  234.7843       10.01563  -2.909119      3.973421  
1 1 1 -19 5  21 o 68.63860 1.177501  47.07578       1.615100  48.66640       2.343239  45.63620       2.229218  2.205429       2.355002  
1 1 1 -19 5  22 o 60.27442 1.093958  36.30595       1.317875  37.53701       1.906783  35.18006       1.823517  1.953773       2.187917  
1 1 1 -19 5  23 o 222.7565 3.318811  497.5817       14.75861  516.0919       21.67337  481.5772       20.15312  7.666245       6.637621  
1 1 1 -19 5  24 o 96.11917 1.524344  92.48997       2.930357  92.75133       4.152827  92.23080       4.135528  0.2703400      3.048688  
1 1 1 -19 5  25 o 70.97072 1.103451  49.88389       1.515156  52.40484       2.508326  48.43560       1.901204  2.784050       2.206903  
1 1 1 -19 5  26 o 49.59389 0.8574879 24.09625       0.7780618 25.86322       1.449260  23.38073       0.9222392 2.493523       1.714976  
1 1 1 -19 5  27 f 85.21155 0.9727103 72.45319       1.654200  75.61172       2.437246  69.75547       2.252451  3.432236       1.945421  
1 1 1 -19 5  28 o 173.4067 1.837525  301.3575       6.371988  298.7344       8.927209  304.0818       9.097920  -1.534180      3.675050  
1 1 1 -19 5  29 f 76.56403 0.8939735 58.63478       1.368613  57.64393       1.910713  59.67879       1.961300  -1.327621      1.787947  
1 1 1 -19 5  30 o 57.65112 0.7415090 32.90350       0.8496803 30.22246       1.127493  36.42735       1.292621  -5.377628      1.483018  
1 1 1 -19 5  31 o 71.84958 0.8532088 51.62270       1.225410  52.73133       1.768035  50.59780       1.699952  1.482780       1.706418  
1 1 1 -19 5  32 o 62.78001 0.7809185 39.27680       0.9777606 41.51138       1.450535  37.41598       1.323680  3.258240       1.561837  
1 1 1 -19 5  33 o 53.99500 0.7180014 29.16953       0.7752915 29.31165       1.105410  29.03194       1.087661  0.2585068      1.436003  
1 1 1 -19 5  34 o 33.85696 0.7573753 10.63882       0.4722116 13.62997       0.8989204 9.498830       0.5549482 6.089273       1.514751  
1 1 1 -19 5  35 o 35.12756 0.8116818 12.40023       0.5636702 12.00246       0.8576944 12.70264       0.7478481 -1.000725      1.623364  
1 1 1 -19 5  36 o 45.53168 0.9260210 20.48634       0.8371113 23.06880       1.281820  18.56588       1.105386  4.936726       1.852042  
1 1 1 -19 5  37 o 63.23435 1.107568  39.83052       1.394992  42.51788       2.090839  37.67451       1.872761  3.816868       2.215135  
1 1 1 -19 5  38 o 83.89462 1.361558  70.56319       2.284080  69.42774       3.190865  71.75636       3.270979  -1.381790      2.723117  
1 1 1 -19 5  39 o 96.53436 1.315344  94.75008       2.464946  99.33958       3.173040  87.76508       3.914491  6.053307       2.630688  
1 1 1 -19 5  40 o 15.08248 1.052980  2.211625       0.3113742 1.956534       0.3954617 2.627738       0.5050822 -2.217104      2.105960  
1 1 1 -19 5  41 o 67.21336 0.8387458 44.62723       1.117242  49.73518       1.727839  40.95702       1.464624  6.514561       1.677492  
1 1 1 -19 5  42 o 54.01531 0.7497400 29.20889       0.8098931 28.80204       1.137882  29.62662       1.152992  -0.7624016     1.499480  
1 1 1 -19 5  43 o 30.43538 0.6908216 9.221264       0.4188406 8.157429       0.5708742 10.46155       0.6164024 -3.782602      1.381643  
1 1 1 -19 5  44 o 32.08439 0.6947529 10.23245       0.4441936 11.34880       0.6615246 9.315847       0.5994255 3.164093       1.389506  
1 1 1 -19 5  45 f 28.83646 0.7129770 8.321570       0.4107143 7.772936       0.5728772 8.901796       0.5891398 -1.956144      1.425954  
1 1 1 -19 5  46 o 26.42139 0.7552983 6.979171       0.3956676 5.793898       0.5445610 8.304644       0.5758675 -4.748816      1.510597  
1 1 1 -19 5  47 o 46.15668 0.7311628 21.32002       0.6745566 21.98020       0.9748322 20.71349       0.9343868 1.368725       1.462326  
1 1 1 -19 5  48 o 61.04587 0.8161716 37.34711       0.9963682 36.78222       1.396706  37.93248       1.421783  -0.9395370     1.632343  
1 1 1 -19 5  49 o 21.76148 0.8545018 4.734479       0.3704605 5.356189       0.5390227 4.177914       0.5100014 2.703907       1.709004  
1 1 1 -19 5  50 o 19.44523 0.9348580 3.779392       0.3529254 5.135427       0.5241728 2.654879       0.4773329 6.372311       1.869716  
1 1 1 -19 5  51 f 21.97860 0.8692292 4.837540       0.3816687 5.015482       0.5559145 4.678876       0.5249386 0.7618122      1.738458  
1 1 1 -19 5  52 o 7.489076 1.771556  0.5348934      0.3154596 0.4128912      0.4641761 0.6396073      0.4300323 -0.9198961     3.543112  
1 1 1 -19 5  53 f 50.37341 0.7863881 25.42584       0.7917625 26.20208       1.144857  24.71422       1.096171  1.470116       1.572776  
1 1 1 -19 5  54 o 33.34619 0.8287921 11.08705       0.5460597 11.60183       0.8484614 10.72305       0.7134567 1.297810       1.657584  
1 1 1 -19 5  55 o 21.74678 1.169922  4.732809       0.4969397 4.908125       0.7996905 4.622520       0.6342711 0.6198692      2.339844  
1 1 1 -19 5  56 o 35.54735 1.105217  12.72281       0.7851323 12.74690       1.133486  12.70059       1.088565  0.5518341E-01  2.210433  
1 1 1 -19 5  57 f 46.00890 1.131594  21.31902       1.040325  21.80126       1.509801  20.88308       1.435493  0.9790192      2.263188  
1 1 1 -19 5  58 o 31.85241 2.809520  10.40012       1.789799  10.40012       1.789799  ?              ?         ?              ?         
1 1 1 -19 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 6  1  o 88.84580 0.9909838 78.43251       1.751365  83.86079       2.647537  74.20895       2.335343  5.428223       1.981968  
1 1 1 -19 6  2  o 226.9325 2.374345  515.9143       10.77632  516.1624       15.24495  515.6666       15.23509  0.1089783      4.748691  
1 1 1 -19 6  3  o 188.7246 1.983765  356.2229       7.480690  365.1802       10.86418  348.1470       10.31570  4.500565       3.967529  
1 1 1 -19 6  4  o 84.16455 0.9459572 70.28120       1.582412  75.85665       2.405350  66.02695       2.101114  5.836395       1.891914  
1 1 1 -19 6  5  o 111.5574 1.208669  124.3991       2.694821  121.8036       3.727927  127.2396       3.899998  -2.434143      2.417339  
1 1 1 -19 6  6  o 143.2905 1.526025  203.7569       4.343167  191.8452       5.751567  219.5610       6.624943  -9.656662      3.052051  
1 1 1 -19 6  7  o 138.2198 1.474609  191.0302       4.073851  187.3300       5.642718  195.0587       5.887679  -2.791855      2.949219  
1 1 1 -19 6  8  o 122.4742 1.316650  148.8062       3.202702  139.9922       4.239940  160.5173       4.887349  -8.370094      2.633299  
1 1 1 -19 6  9  o 53.80050 0.6833960 28.92727       0.7350283 29.70167       1.058524  28.20617       1.021442  1.389580       1.366792  
1 1 1 -19 6  10 o 107.4055 1.170016  115.4015       2.513211  116.0679       3.574568  114.7501       3.534211  0.6129379      2.340032  
1 1 1 -19 6  11 o 115.7023 1.250685  133.8633       2.892863  131.6606       4.019984  136.2293       4.166184  -1.972328      2.501371  
1 1 1 -19 6  12 o 66.07654 0.7879539 43.33680       1.035937  46.88233       1.564865  40.57085       1.382160  4.774288       1.575908  
1 1 1 -19 6  13 o 78.56493 1.290417  61.62124       2.024133  59.58342       2.766332  63.96949       2.969575  -2.788437      2.580834  
1 1 1 -19 6  14 o 69.78609 0.8219844 48.70081       1.147079  49.28624       1.640083  48.14022       1.604918  0.8207703      1.643969  
1 1 1 -19 6  15 o 59.55669 0.7366148 35.47078       0.8773152 35.84330       1.251799  35.11117       1.229913  0.6144676      1.473230  
1 1 1 -19 6  16 f 44.92871 0.6327956 20.18768       0.5685970 20.07359       0.8003608 20.30393       0.8079277 -0.2562828     1.265591  
1 1 1 -19 6  17 o 30.25486 0.5910236 9.020309       0.3544625 7.571296       0.4723429 10.88827       0.5362967 -5.481258      1.182047  
1 1 1 -19 6  18 o 18.04929 0.6908143 3.239340       0.2482414 3.709718       0.3654156 2.836215       0.3382849 2.419531       1.381629  
1 1 1 -19 6  19 o 28.55128 0.6027904 8.086561       0.3427371 9.147254       0.5104411 7.215741       0.4625037 3.382143       1.205581  
1 1 1 -19 6  20 o 186.6346 1.966035  348.8589       7.338175  346.8387       10.31170  350.9315       10.44508  -1.092621      3.932070  
1 1 1 -19 6  21 o 155.4921 1.652852  241.8753       5.136666  237.1171       7.110150  247.0698       7.429023  -3.192200      3.305704  
1 1 1 -19 6  22 o 42.13858 0.6419694 17.39762       0.5353205 15.19498       0.6988646 20.52483       0.8327206 -6.322807      1.283939  
1 1 1 -19 6  23 o 234.4209 2.456339  551.0117       11.51463  545.8345       16.11846  556.4074       16.45504  -2.241211      4.912677  
1 1 1 -19 6  24 f 48.73425 0.6748737 23.49020       0.6536175 26.18048       0.9951501 21.44915       0.8667952 4.852627       1.349747  
1 1 1 -19 6  25 f 207.7336 2.683124  433.1212       10.49541  432.6758       12.83626  434.0196       18.22967  -0.2890015E-01 5.366247  
1 1 1 -19 6  26 o 153.9391 2.007807  238.3011       5.852903  239.8491       7.212582  235.3160       10.01570  1.596695       4.015615  
1 1 1 -19 6  27 o 49.38577 1.001922  24.33075       0.9879314 23.11419       1.350017  25.73336       1.449582  -2.649353      2.003844  
1 1 1 -19 6  28 o 94.27255 1.506433  88.87961       2.837023  86.14367       3.899814  91.95522       4.134804  -3.072838      3.012866  
1 1 1 -19 6  29 o 204.2197 3.061673  419.8130       12.49069  409.1781       17.17848  431.7429       18.19427  -5.431046      6.123346  
1 1 1 -19 6  30 o 80.65862 1.884233  0.000000       0.000000  ?              ?         65.16541       3.039592  ?              ?         
1 1 1 -19 6  31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 6  32 o 23.74915 1.218965  0.000000       0.000000  ?              ?         5.644714       0.5789876 ?              ?         
1 1 1 -19 6  33 o 72.03698 1.687642  0.000000       0.000000  ?              ?         51.98391       2.431452  ?              ?         
1 1 1 -19 6  34 o 25.52028 0.8667266 6.541223       0.4408743 6.112308       0.6355674 6.939020       0.6120766 -1.620640      1.733453  
1 1 1 -19 6  35 o 100.4304 1.356888  102.1271       2.620765  104.9779       3.307975  97.32112       4.295013  3.875374       2.713776  
1 1 1 -19 6  36 o 95.97230 1.080920  92.20816       2.073822  90.51095       2.880677  94.03408       2.987915  -1.829498      2.161839  
1 1 1 -19 6  37 o 34.10571 0.7113394 11.68303       0.4822821 12.07589       0.6538044 11.21410       0.7143038 1.265743       1.422679  
1 1 1 -19 6  38 o 91.40457 1.041349  83.45086       1.899438  87.21233       2.801530  80.25072       2.584052  3.795113       2.082699  
1 1 1 -19 6  39 o 54.98921 0.7441128 30.25081       0.8181019 29.53433       1.139617  31.01266       1.175142  -1.342484      1.488226  
1 1 1 -19 6  40 o 59.80825 0.7809142 35.40711       0.9272742 39.15524       1.420092  32.62123       1.224309  5.451721       1.561828  
1 1 1 -19 6  41 o 24.23734 0.7203513 5.876763       0.3490666 6.074648       0.5009749 5.690036       0.4866462 0.7926769      1.440703  
1 1 1 -19 6  42 f 30.45406 0.6871248 9.288231       0.4183463 9.106919       0.5961978 9.464092       0.5871675 -0.5869198     1.374250  
1 1 1 -19 6  43 o 27.02906 0.7048554 7.308713       0.3808705 7.538643       0.5482502 7.094237       0.5295033 0.8209248      1.409711  
1 1 1 -19 6  44 o 10.68951 1.372278  1.182801       0.2794913 1.816824       0.4128897 0.6465768      0.3797121 5.534565       2.744555  
1 1 1 -19 6  45 o 48.35001 0.7293783 23.40199       0.7051082 22.68493       0.9852197 24.15493       1.009573  -1.518311      1.458757  
1 1 1 -19 6  46 o 20.32175 0.8578241 4.141224       0.3484029 4.082114       0.5001045 4.196965       0.4856457 -0.2839661     1.715648  
1 1 1 -19 6  47 o 21.94483 0.8193213 4.827296       0.3573680 4.139390       0.4964984 5.566814       0.5147868 -3.250502      1.638643  
1 1 1 -19 6  48 o 32.67559 0.7231933 10.63131       0.4711449 11.66552       0.6993014 9.771629       0.6375683 2.892181       1.446387  
1 1 1 -19 6  49 o 18.51794 0.9355900 3.437898       0.3442714 3.987631       0.4977999 2.933916       0.4766360 2.842438       1.871180  
1 1 1 -19 6  50 o 50.66265 0.7681850 25.72046       0.7782386 25.18461       1.089394  26.27893       1.112150  -1.077473      1.536370  
1 1 1 -19 6  51 o 43.98426 0.7506770 19.39233       0.6603467 19.33131       0.9358498 19.45283       0.9319052 -0.1385803     1.501354  
1 1 1 -19 6  52 o 50.90900 0.7856917 25.95240       0.7992427 26.93838       1.161119  25.06457       1.101812  1.832554       1.571383  
1 1 1 -19 6  53 o 22.14902 0.9230265 4.935925       0.4079036 4.564274       0.5787852 5.302680       0.5749592 -1.667526      1.846053  
1 1 1 -19 6  54 o 34.36554 0.9487574 12.07069       0.6191911 11.17959       1.034698  12.56785       0.7728513 -2.063736      1.897515  
1 1 1 -19 6  55 o 23.73265 1.274509  5.624288       0.6006560 6.661422       0.8972793 4.782139       0.8085451 3.937138       2.549018  
1 1 1 -19 6  56 f 43.22736 1.080643  18.81193       0.9341738 18.93584       1.332213  18.69205       1.310302  0.2770882      2.161286  
1 1 1 -19 6  57 o 6.565531 1.970311  -0.1741093     0.4865027 -0.7440729     0.6842268 0.4086660      0.6918742 -2.575048      3.940622  
1 1 1 -19 6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 7  1  o 78.92583 0.8977662 62.30991       1.417132  62.11624       2.000523  62.50499       2.007752  -0.2461929     1.795532  
1 1 1 -19 7  2  f 161.0031 1.702500  258.7905       5.470093  269.3582       8.063024  249.7794       7.445575  6.067612       3.405000  
1 1 1 -19 7  3  o 169.2836 1.786646  285.8238       6.030269  274.3630       8.153002  299.6664       8.960213  -7.456619      3.573292  
1 1 1 -19 7  4  o 105.3888 1.148581  111.0916       2.420496  112.3221       3.463558  109.9169       3.384026  1.140045       2.297161  
1 1 1 -19 7  5  o 189.3088 1.989540  358.2565       7.522290  348.4471       10.31796  369.3855       10.99007  -5.514847      3.979081  
1 1 1 -19 7  6  o 26.50849 0.5467882 6.953523       0.2883446 7.935178       0.4336069 6.175269       0.3860803 3.319225       1.093576  
1 1 1 -19 7  7  o 66.65724 0.7862217 44.36847       1.046984  45.92302       1.525083  42.98273       1.439903  2.204773       1.572443  
1 1 1 -19 7  8  o 115.1693 1.247285  132.5972       2.871125  135.5962       4.151298  129.8471       3.975192  2.493439       2.494570  
1 1 1 -19 7  9  o 156.5612 1.658942  244.1122       5.172739  232.8766       6.945014  258.1110       7.752059  -8.043732      3.317884  
1 1 1 -19 7  10 o 45.79193 0.6333600 20.91889       0.5791819 21.92773       0.8480596 20.03703       0.7928942 2.064045       1.266720  
1 1 1 -19 7  11 f 169.0505 1.785673  286.0761       6.037361  286.5597       8.550155  285.5952       8.526131  0.2847748      3.571345  
1 1 1 -19 7  12 o 40.60220 0.6100961 16.43729       0.4945776 15.64043       0.6757259 17.35672       0.7258360 -2.113190      1.220192  
1 1 1 -19 7  13 o 55.37157 0.7007409 30.66512       0.7760218 30.65534       1.096750  30.67492       1.098173  -0.1767349E-01 1.401482  
1 1 1 -19 7  14 o 89.48241 1.000914  79.77527       1.785760  84.05959       2.654381  76.23283       2.413641  4.370445       2.001828  
1 1 1 -19 7  15 o 59.82446 0.7396433 35.74460       0.8841622 34.63179       1.218858  36.98052       1.284513  -1.962410      1.479287  
1 1 1 -19 7  16 o 51.97632 0.6862455 26.81050       0.7100918 29.21954       1.068751  24.90656       0.9501263 4.147926       1.372491  
1 1 1 -19 7  17 o 57.73740 0.7269093 33.34245       0.8393909 33.24683       1.184297  33.43896       1.189879  -0.1663284     1.453819  
1 1 1 -19 7  18 o 78.90199 0.9074887 61.38941       1.417062  68.28915       2.205732  56.54020       1.849149  7.440628       1.814977  
1 1 1 -19 7  19 f 116.2437 1.260899  135.1764       2.930694  136.9906       4.201653  133.4575       4.089860  1.517555       2.521798  
1 1 1 -19 7  20 o 101.5133 1.119860  102.7917       2.268197  107.4946       3.350108  98.81125       3.082062  4.272202       2.239720  
1 1 1 -19 7  21 o 133.3266 1.430312  177.7289       3.810556  173.5108       5.256768  182.3995       5.531611  -3.327011      2.860624  
1 1 1 -19 7  22 f 199.1566 2.095131  397.4775       8.345174  397.8601       11.81143  397.0961       11.79231  0.1911163      4.190262  
1 1 1 -19 7  23 o 31.22771 0.6120602 9.618848       0.3790460 8.102080       0.5060042 11.55828       0.5721788 -5.533100      1.224120  
1 1 1 -19 7  24 o 76.98930 0.8939167 59.28861       1.376207  59.97046       1.968242  58.63640       1.924981  0.8655853      1.787833  
1 1 1 -19 7  25 f 56.90836 0.7328570 32.19783       0.8308212 34.60223       1.244353  30.26382       1.116013  3.809628       1.465714  
1 1 1 -19 7  26 o 129.9834 1.714198  168.5998       4.181277  171.3025       7.338459  167.3006       5.087948  1.447830       3.428397  
1 1 1 -19 7  27 o 100.7286 1.567261  101.2150       3.146711  106.7470       4.687845  96.67828       4.245244  4.979485       3.134521  
1 1 1 -19 7  28 o 56.89491 1.005931  32.31554       1.142908  30.94625       1.564426  33.88287       1.673738  -2.577457      2.011861  
1 1 1 -19 7  29 o 71.47410 1.180955  51.07729       1.686546  49.53355       2.324040  52.79475       2.451320  -2.276489      2.361909  
1 1 1 -19 7  30 o 42.20159 0.8778186 17.79665       0.7403385 16.94707       1.025645  18.72086       1.069740  -2.100258      1.755637  
1 1 1 -19 7  31 o 93.54381 1.283463  87.51752       2.266137  87.24119       2.776311  88.06916       3.922603  -0.3891068     2.566927  
1 1 1 -19 7  32 o 29.97805 0.8290043 9.499718       0.4621959 10.68565       0.5806040 7.447949       0.7636864 5.406263       1.658009  
1 1 1 -19 7  33 o 41.14982 0.8141996 17.10024       0.6296995 17.40536       0.7723575 16.49535       1.087479  1.117069       1.628399  
1 1 1 -19 7  34 o 64.18378 1.158487  40.78443       1.475713  45.15260       2.264639  37.56074       1.945478  5.896740       2.316975  
1 1 1 -19 7  35 o 88.82475 1.454751  79.10209       2.583524  80.44385       3.711227  77.84048       3.598681  1.457184       2.909501  
1 1 1 -19 7  36 o 88.90044 1.459111  79.11559       2.590421  76.29962       3.547081  82.33385       3.791986  -3.374664      2.918222  
1 1 1 -19 7  37 o 98.89349 1.589488  98.15377       3.142967  96.70592       4.383972  99.68491       4.508288  -1.495117      3.178977  
1 1 1 -19 7  38 o 34.97157 0.9954220 12.25597       0.6959563 11.95101       0.9889576 12.55517       0.9795710 -0.8643684     1.990844  
1 1 1 -19 7  39 o 50.92241 1.052683  25.97373       1.071727  26.49228       1.540793  25.48768       1.491699  0.9827995      2.105366  
1 1 1 -19 7  40 o 27.26265 0.9613429 7.551235       0.5082430 6.989450       0.8092707 7.917125       0.6531070 -1.711777      1.922686  
1 1 1 -19 7  41 o 24.56246 0.9216903 5.466269       0.4073985 7.408049       0.8154071 4.820300       0.4703060 5.242579       1.843381  
1 1 1 -19 7  42 o 31.94482 0.8990937 10.05686       0.5181668 10.61276       0.9844411 9.843828       0.6094187 1.175438       1.798187  
1 1 1 -19 7  43 o 59.32038 0.8525298 35.43536       1.004859  33.37984       1.482037  37.18438       1.367084  -3.215897      1.705060  
1 1 1 -19 7  44 o 60.42758 0.8003415 36.51604       0.9659963 37.85771       1.410542  35.33099       1.325656  2.083660       1.600683  
1 1 1 -19 7  45 f 33.85485 0.7042706 11.44315       0.4761174 12.20977       0.6964088 10.77035       0.6524063 2.122543       1.408541  
1 1 1 -19 7  46 o 10.13195 1.385723  1.038938       0.2858114 1.979762       0.4311218 0.3012166      0.3817613 7.822546       2.771445  
1 1 1 -19 7  47 o 31.84146 0.7286528 10.09964       0.4625464 10.90666       0.6885211 9.435835       0.6244422 2.303740       1.457306  
1 1 1 -19 7  48 o 50.47121 0.7567099 25.42241       0.7618894 27.00571       1.127900  24.09367       1.033259  2.875225       1.513420  
1 1 1 -19 7  49 o 22.89378 0.8327907 5.251081       0.3810984 5.382566       0.5503721 5.129968       0.5282194 0.5491142      1.665581  
1 1 1 -19 7  50 o 76.13964 0.9389886 58.00070       1.427062  55.38356       1.944850  61.05341       2.100463  -3.701950      1.877977  
1 1 1 -19 7  51 o 13.26686 1.288989  1.778948       0.3406859 1.617141       0.4855622 1.935838       0.4781290 -1.202587      2.577978  
1 1 1 -19 7  52 f 53.96485 0.7958773 29.19032       0.8586559 28.31968       1.194955  30.11978       1.234664  -1.662346      1.591755  
1 1 1 -19 7  53 o 31.66589 0.7977551 10.05759       0.5051915 10.22289       0.7193826 9.896759       0.7096149 0.5135765      1.595510  
1 1 1 -19 7  54 o 25.32186 1.056672  6.425800       0.5206623 6.552542       0.8433443 6.347738       0.6618590 0.3688889      2.113343  
1 1 1 -19 7  55 o 32.33011 1.120230  10.52641       0.7242627 10.32227       1.022066  10.73230       1.026472  -0.6331444     2.240460  
1 1 1 -19 7  56 o 24.01485 1.283001  5.838499       0.6127170 5.082505       0.8595822 6.619376       0.8736135 -3.195906      2.566003  
1 1 1 -19 7  57 o 41.15211 1.098274  17.06739       0.9035614 16.86352       1.291547  17.26282       1.264539  -0.4917030     2.196547  
1 1 1 -19 7  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 8  1  o 169.7870 2.549360  288.3345       8.639972  299.4538       12.70518  278.7687       11.78425  6.058594       5.098720  
1 1 1 -19 8  2  o 59.61446 1.083041  35.44296       1.288532  33.93433       1.753710  37.21289       1.899533  -2.747677      2.166082  
1 1 1 -19 8  3  o 191.3761 2.015973  365.4675       7.692160  351.0213       10.39942  382.9194       11.43021  -8.306808      4.031947  
1 1 1 -19 8  4  o 80.22635 0.9090079 63.77021       1.448085  59.59491       1.914431  69.35366       2.213847  -6.078552      1.818016  
1 1 1 -19 8  5  o 197.5389 2.074802  390.4706       8.191038  382.5064       11.32650  399.2024       11.85964  -4.212189      4.149604  
1 1 1 -19 8  6  o 56.17157 0.7020478 31.34359       0.7852541 33.81810       1.179852  29.37585       1.052125  3.953079       1.404096  
1 1 1 -19 8  7  o 31.18768 0.5495745 9.714594       0.3425657 10.12468       0.4953645 9.338724       0.4742475 1.259907       1.099149  
1 1 1 -19 8  8  o 104.2031 1.138522  108.0143       2.362034  102.5487       3.164548  114.8897       3.549305  -5.916260      2.277045  
1 1 1 -19 8  9  o 129.5277 1.388313  167.8155       3.595244  165.3582       5.005747  170.4336       5.166972  -1.956451      2.776625  
1 1 1 -19 8  10 o 267.5108 2.793777  716.8472       14.93423  701.2984       20.61148  734.0319       21.66852  -6.081726      5.587554  
1 1 1 -19 8  11 o 33.96331 0.5698004 11.51509       0.3866871 12.13895       0.5606786 10.94916       0.5340117 1.751404       1.139601  
1 1 1 -19 8  12 o 95.28569 1.055142  90.36029       2.002639  85.94232       2.690063  95.85294       2.999446  -5.196327      2.110283  
1 1 1 -19 8  13 o 179.0041 1.887569  320.2281       6.746603  310.7071       9.230604  331.1476       9.885279  -5.693420      3.775137  
1 1 1 -19 8  14 o 143.2518 1.767986  205.3192       5.062526  201.6187       7.020575  209.3278       7.306999  -2.683945      3.535973  
1 1 1 -19 8  15 o 93.60664 1.041471  87.60513       1.948873  85.95850       2.706748  89.37763       2.808300  -1.824852      2.082943  
1 1 1 -19 8  16 o 165.8324 1.754407  275.3210       5.818137  273.1562       8.157609  277.5623       8.300426  -1.324799      3.508813  
1 1 1 -19 8  17 o 82.04837 0.9351620 67.11381       1.530688  70.47610       2.264430  64.28474       2.077119  3.770325       1.870324  
1 1 1 -19 8  18 f 157.9473 1.677305  249.7594       5.298090  251.8510       7.551003  247.7312       7.435590  1.301117       3.354611  
1 1 1 -19 8  19 o 74.88281 0.8733917 55.83613       1.303766  53.08508       1.759502  59.18578       1.941513  -4.070915      1.746783  
1 1 1 -19 8  20 o 117.3548 1.272299  137.6970       2.983963  134.6557       4.124750  141.0362       4.322086  -2.714264      2.544597  
1 1 1 -19 8  21 o 25.30568 0.6124535 6.402849       0.3099154 6.248239       0.4340171 6.563696       0.4426846 -0.6231976     1.224907  
1 1 1 -19 8  22 o 187.1605 2.408856  353.0975       8.574591  345.9799       14.51059  356.9164       10.62882  -3.104401      4.817712  
1 1 1 -19 8  23 o 130.8241 1.980487  171.5381       5.181361  170.1767       7.264567  172.9478       7.392201  -1.053665      3.960974  
1 1 1 -19 8  24 o 52.27497 0.9636097 27.34974       1.007003  27.10070       1.442089  27.58673       1.406802  -0.4656639     1.927219  
1 1 1 -19 8  25 o 49.19900 0.9155923 24.19146       0.9003773 23.38801       1.247338  25.06554       1.301008  -1.703640      1.831185  
1 1 1 -19 8  26 o 59.59277 0.9062474 35.83929       1.049229  36.88407       1.344425  34.21152       1.678112  2.250446       1.812495  
1 1 1 -19 8  27 o 60.79964 0.9191787 36.62518       1.053331  35.91805       1.283596  38.08320       1.843137  -1.765240      1.838357  
1 1 1 -19 8  28 o 67.41361 0.8170831 45.39598       1.100382  43.92443       1.512543  47.05046       1.603815  -2.316101      1.634166  
1 1 1 -19 8  29 o 27.71404 0.6356385 7.602259       0.3486552 6.196134       0.4695050 9.331009       0.5205882 -5.654655      1.271277  
1 1 1 -19 8  30 o 98.48434 1.097276  97.04133       2.160169  95.00779       2.996822  99.24065       3.116577  -2.144188      2.194552  
1 1 1 -19 8  31 f 57.94254 0.7461382 33.38875       0.8615899 31.20160       1.160199  36.07807       1.286512  -4.204063      1.492276  
1 1 1 -19 8  32 o 104.9148 1.161406  110.2535       2.436799  110.7293       3.470038  109.7906       3.422755  0.4448853      2.322813  
1 1 1 -19 8  33 o 39.86011 0.6504185 15.90017       0.5184128 15.68177       0.7370536 16.11400       0.7293006 -0.5424194     1.300837  
1 1 1 -19 8  34 o 96.91483 1.087895  94.02563       2.107660  95.80224       3.037610  92.37623       2.926837  1.761528       2.175791  
1 1 1 -19 8  35 o 30.16594 0.6563104 9.110639       0.3953670 8.487730       0.5565161 9.745403       0.5617878 -2.084406      1.312621  
1 1 1 -19 8  36 o 54.85197 0.7443605 29.90634       0.8136625 27.60100       1.096159  32.73523       1.214269  -4.675236      1.488721  
1 1 1 -19 8  37 o 51.23374 0.7186620 26.23241       0.7358421 25.11411       1.018081  27.45562       1.064764  -2.283119      1.437324  
1 1 1 -19 8  38 o 97.81468 1.102445  95.56454       2.151142  91.49174       2.917918  100.4134       3.183789  -4.540565      2.204891  
1 1 1 -19 8  39 o 42.71176 0.6898021 18.24035       0.5887329 18.70893       0.8544465 17.81682       0.8123367 1.042301       1.379604  
1 1 1 -19 8  40 o 53.36267 0.7412635 28.48667       0.7908002 27.66020       1.100003  29.37070       1.137669  -1.600609      1.482527  
1 1 1 -19 8  41 o 28.17248 0.7681785 7.955287       0.4293858 8.007740       0.5732802 7.888256       0.6480590 0.2168217      1.536357  
1 1 1 -19 8  42 o 44.49745 0.8920426 18.36853       0.7097454 16.76731       0.8195044 23.17403       1.419693  -7.151112      1.784085  
1 1 1 -19 8  43 o 93.33985 1.327789  87.16815       2.316522  86.46527       2.808751  88.66322       4.096445  -1.008087      2.655578  
1 1 1 -19 8  44 o 110.8335 1.623941  122.5593       3.478547  119.1105       4.359985  128.5994       5.769917  -4.040848      3.247882  
1 1 1 -19 8  45 o 47.13233 1.077420  22.22486       1.013782  23.50392       1.489572  21.12119       1.383685  2.514874       2.154841  
1 1 1 -19 8  46 o 62.62150 1.197321  39.40422       1.499489  39.73772       2.133435  39.07862       2.107989  0.5225563      2.394643  
1 1 1 -19 8  47 o 57.99815 1.163785  33.79698       1.349546  34.18648       1.936461  33.42915       1.881806  0.6445580      2.327570  
1 1 1 -19 8  48 o 18.89948 1.470156  3.608073       0.5541528 3.502223       0.8073378 3.702369       0.7620064 -0.5385628     2.940313  
1 1 1 -19 8  49 o 37.96502 1.090852  14.47465       0.8278658 13.84209       1.156709  15.13896       1.185376  -1.703468      2.181705  
1 1 1 -19 8  50 o 67.49856 1.271074  45.85910       1.715661  45.30564       2.401313  46.43621       2.452107  -0.8279114     2.542149  
1 1 1 -19 8  51 o 81.07050 1.418838  65.98069       2.291765  62.38465       3.081809  70.42956       3.427824  -4.880173      2.837675  
1 1 1 -19 8  52 f 21.06808 1.423891  4.471543       0.5991081 4.713520       0.8763616 4.259230       0.8208897 1.064232       2.847782  
1 1 1 -19 8  53 o 25.36212 1.818815  0.000000       0.000000  ?              ?         6.486276       0.9225802 ?              ?         
1 1 1 -19 8  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 8  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 8  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 8  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 8  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 9  1  o 185.9863 2.784955  347.0985       10.35917  348.0020       14.68732  346.2041       14.61313  0.4801025      5.569909  
1 1 1 -19 9  2  o 177.2791 2.659079  315.1880       9.426453  312.1683       13.18989  318.3405       13.47677  -1.729050      5.318158  
1 1 1 -19 9  3  o 74.24008 1.252464  55.04659       1.857402  57.26124       2.709675  53.08369       2.551024  2.810555       2.504927  
1 1 1 -19 9  4  o 161.4192 2.432464  261.1258       7.851178  264.6366       11.24757  257.7896       10.96433  2.110748       4.864927  
1 1 1 -19 9  5  o 95.06473 1.052211  90.09779       1.995207  94.56587       2.955167  86.35492       2.704735  4.314819       2.104422  
1 1 1 -19 9  6  o 94.32372 1.043412  89.00832       1.968367  88.93159       2.780420  89.08539       2.786974  -0.8142853E-01 2.086825  
1 1 1 -19 9  7  o 164.3565 1.739545  269.6210       5.703506  281.6320       8.435460  259.5059       7.741144  6.714157       3.479091  
1 1 1 -19 9  8  o 165.0462 1.744864  272.7283       5.759612  273.3510       8.165571  272.1117       8.125221  0.3744354      3.489728  
1 1 1 -19 9  9  o 197.3310 2.075544  389.1508       8.175470  376.3381       11.15277  404.0326       12.01955  -6.991989      4.151088  
1 1 1 -19 9  10 o 45.20570 0.6290074 20.43269       0.5685908 20.75231       0.8136684 20.12766       0.7948785 0.6907234      1.258015  
1 1 1 -19 9  11 o 104.9868 1.148755  109.6259       2.400617  103.9849       3.212083  116.7636       3.613173  -6.079208      2.297509  
1 1 1 -19 9  12 f 138.9777 1.487594  193.2959       4.134411  191.3781       5.795848  195.2829       5.899406  -1.402588      2.975189  
1 1 1 -19 9  13 o 171.9016 1.816216  295.6972       6.240366  301.8597       9.016966  290.0323       8.645188  3.430008       3.632432  
1 1 1 -19 9  14 o 116.8445 1.266262  136.6216       2.959107  136.5509       4.179673  136.6925       4.189964  -0.6038666E-01 2.532524  
1 1 1 -19 9  15 o 25.16503 0.6636972 6.243812       0.3259238 5.945910       0.4131902 6.734432       0.5302575 -1.565481      1.327394  
1 1 1 -19 9  16 o 52.04282 0.6954453 26.60797       0.7166483 30.65984       1.113410  23.74199       0.9364053 6.644329       1.390891  
1 1 1 -19 9  17 o 80.33188 0.9193068 64.49675       1.475968  63.01699       2.041764  66.11641       2.136099  -1.927711      1.838614  
1 1 1 -19 9  18 o 152.1594 1.970592  232.9551       5.706227  228.6816       9.650133  235.2526       7.075789  -2.244186      3.941185  
1 1 1 -19 9  19 o 196.1806 2.918054  386.3623       11.44482  380.4588       15.92052  392.6757       16.46400  -3.085052      5.836108  
1 1 1 -19 9  20 o 102.9458 1.584199  106.0647       3.260202  108.0220       4.697904  104.2464       4.528031  1.828499       3.168399  
1 1 1 -19 9  21 o 118.2111 1.801442  140.0082       4.258968  139.3876       6.008016  140.6350       6.038279  -0.5264435     3.602883  
1 1 1 -19 9  22 o 103.8933 1.602584  108.1149       3.329940  107.9587       4.714353  108.2704       4.704154  -0.1504059     3.205167  
1 1 1 -19 9  23 f 53.11886 0.8426878 27.08420       0.8266138 25.41048       0.9804738 31.19741       1.537044  -5.436089      1.685376  
1 1 1 -19 9  24 o 54.84463 0.7157560 30.02138       0.7840313 28.80755       1.074886  31.40141       1.146114  -2.363434      1.431512  
1 1 1 -19 9  25 o 68.22049 0.8198134 46.53071       1.117978  47.59596       1.613069  45.54601       1.550883  1.501007       1.639627  
1 1 1 -19 9  26 o 18.27216 0.7097704 3.338397       0.2592068 3.386805       0.3745670 3.293911       0.3590713 0.2538548      1.419541  
1 1 1 -19 9  27 o 55.54798 0.7243655 30.86374       0.8045847 31.21752       1.151543  30.52629       1.124642  0.6215439      1.448731  
1 1 1 -19 9  28 o 45.71347 0.6645152 20.60012       0.6028906 18.38535       0.7955040 23.58887       0.9241082 -5.688526      1.329030  
1 1 1 -19 9  29 o 119.3021 1.298064  142.4987       3.095791  139.9865       4.299762  145.2027       4.460901  -2.178314      2.596127  
1 1 1 -19 9  30 o 61.66943 0.7794871 37.60497       0.9538723 41.65192       1.465192  34.62804       1.256651  5.687893       1.558974  
1 1 1 -19 9  31 o 25.11195 0.6502464 6.331553       0.3252863 5.745026       0.4635926 6.900363       0.4565372 -2.300579      1.300493  
1 1 1 -19 9  32 o 59.36362 0.7613505 35.24212       0.9033875 35.95913       1.304971  34.58228       1.251849  1.157791       1.522701  
1 1 1 -19 9  33 o 88.39853 1.010724  78.25391       1.786875  78.40323       2.538016  78.10715       2.516172  0.1663666      2.021447  
1 1 1 -19 9  34 o 9.254050 1.307580  0.8646145      0.2369654 1.190877       0.3540955 0.5999860      0.3189004 3.295861       2.615160  
1 1 1 -19 9  35 o 26.06438 0.6655735 6.800124       0.3462639 6.766919       0.5052639 6.829530       0.4754747 -0.1211967     1.331147  
1 1 1 -19 9  36 o 24.20420 0.6957399 5.884467       0.3347403 5.121476       0.4722554 6.654864       0.4745414 -3.167517      1.391480  
1 1 1 -19 9  37 o 37.36785 0.6577739 13.95336       0.4910922 13.11601       0.6809148 14.86108       0.7089520 -2.333759      1.315548  
1 1 1 -19 9  38 o 24.45764 0.7073082 5.991867       0.3441848 5.215981       0.4800613 6.812558       0.4937281 -3.263287      1.414616  
1 1 1 -19 9  39 o 111.2810 1.232694  123.9087       2.738166  119.4695       3.734246  129.0713       4.027008  -4.287834      2.465388  
1 1 1 -19 9  40 o 109.8416 1.221421  121.0675       2.683249  120.8087       3.789414  121.3276       3.799984  -0.2351303     2.442842  
1 1 1 -19 9  41 o 26.53293 0.7371351 7.054101       0.3908560 6.902969       0.5602459 7.197408       0.5455545 -0.5558014     1.474270  
1 1 1 -19 9  42 o 69.07139 0.8599255 47.79346       1.187615  48.31332       1.702561  47.30080       1.657431  0.7291718      1.719851  
1 1 1 -19 9  43 o 66.15488 0.8441022 43.73027       1.115020  41.65496       1.524780  46.11559       1.634705  -3.361656      1.688204  
1 1 1 -19 9  44 o 35.16560 0.7039496 12.35210       0.4943448 12.99135       0.7239031 11.79349       0.6766998 1.699535       1.407899  
1 1 1 -19 9  45 o 96.47092 1.105164  93.40276       2.131613  91.83297       2.968382  95.07420       3.062955  -1.667534      2.210327  
1 1 1 -19 9  46 f 44.03562 0.7294947 19.36051       0.6412389 20.55689       0.9431811 18.33221       0.8744155 2.519596       1.458989  
1 1 1 -19 9  47 o 23.40718 0.8208764 5.521483       0.3822793 5.017035       0.5507345 5.990520       0.5310518 -2.081635      1.641753  
1 1 1 -19 9  48 o 47.26674 0.7493311 22.38485       0.7080632 22.59423       1.018382  22.18891       0.9851500 0.4252663      1.498662  
1 1 1 -19 9  49 o 74.51205 0.9289427 55.71761       1.384321  55.89425       1.965040  55.54358       1.950493  0.2333298      1.857885  
1 1 1 -19 9  50 o 59.38403 0.8244921 35.37014       0.9791938 34.92493       1.380843  35.82049       1.388770  -0.7530098     1.648984  
1 1 1 -19 9  51 o 30.81248 0.7871983 9.522453       0.4850914 9.597773       0.6897854 9.448753       0.6823213 0.2407913      1.574397  
1 1 1 -19 9  52 o 37.00293 0.9071987 13.92479       0.6414218 13.13209       1.063392  14.37815       0.8041883 -1.724583      1.814397  
1 1 1 -19 9  53 o 23.49041 1.072327  5.355843       0.4926511 6.510235       0.8067881 4.669475       0.6221018 3.881090       2.144653  
1 1 1 -19 9  54 o 6.714104 2.003797  0.5742720E-01  0.4617331 0.2088800E-01  0.6531250 0.9393604E-01  0.6528536 -0.1874027     4.007595  
1 1 1 -19 9  55 o 40.11855 1.084786  16.14237       0.8685266 17.45093       1.277862  15.01887       1.184059  3.008850       2.169572  
1 1 1 -19 9  56 o 20.89018 1.548784  4.234267       0.6285989 5.275378       1.053315  3.658374       0.7833948 3.777697       3.097569  
1 1 1 -19 9  57 o 44.62359 1.176265  20.14504       1.043818  19.59351       1.549062  20.60376       1.412705  -1.169563      2.352531  
1 1 1 -19 9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 10 1  o 101.8809 1.612047  103.1994       3.266178  97.51667       4.349998  110.5435       4.945177  -6.376740      3.224094  
1 1 1 -19 10 2  o 174.4254 2.621902  305.2094       9.146036  303.7172       12.85629  306.7385       13.01405  -0.8591919     5.243804  
1 1 1 -19 10 3  o 149.5471 2.267814  224.1583       6.782406  222.8722       9.524217  225.4816       9.660785  -0.8673706     4.535628  
1 1 1 -19 10 4  o 102.7573 1.624023  105.4897       3.332529  109.7129       4.879308  101.7972       4.562447  3.843346       3.248047  
1 1 1 -19 10 5  o 94.48748 1.513708  89.04689       2.852165  85.38875       3.860118  93.44532       4.232723  -4.254257      3.027415  
1 1 1 -19 10 6  o 185.4763 1.960133  343.1196       7.244842  361.4184       10.81105  328.2035       9.760767  8.921127       3.920266  
1 1 1 -19 10 7  o 96.14508 1.067735  92.28269       2.049471  89.29517       2.799504  95.73306       3.008552  -3.344467      2.135470  
1 1 1 -19 10 8  o 46.95439 0.6435933 21.18322       0.5905753 26.33768       0.9698239 18.14531       0.7445405 8.721451       1.287187  
1 1 1 -19 10 9  o 151.5450 1.611096  229.8302       4.881343  226.5163       6.795789  233.3624       7.015999  -2.253113      3.222193  
1 1 1 -19 10 10 o 134.6636 1.443092  181.4671       3.885838  179.3822       5.429533  183.6564       5.563733  -1.583878      2.886184  
1 1 1 -19 10 11 o 127.1591 1.367816  161.7760       3.477649  159.5928       4.850181  164.0860       4.989034  -1.763710      2.735631  
1 1 1 -19 10 12 o 40.02367 0.6706104 15.41095       0.5131043 18.07433       0.8919951 14.09384       0.6272745 4.969799       1.341221  
1 1 1 -19 10 13 o 78.54363 0.9017743 61.64461       1.415478  63.42280       2.051527  60.02898       1.955500  2.159058       1.803549  
1 1 1 -19 10 14 o 150.2980 1.599980  226.1615       4.809363  226.9471       6.829458  225.3887       6.773815  0.5169678      3.199960  
1 1 1 -19 10 15 o 199.3555 4.217843  0.000000       0.000000  ?              ?         399.1396       16.81701  ?              ?         
1 1 1 -19 10 16 o 84.98518 1.333768  72.28307       2.266837  72.81371       3.229973  71.76805       3.182145  0.6140594      2.667537  
1 1 1 -19 10 17 f 37.03059 0.7780421 13.27493       0.5665953 16.44133       0.9057806 11.23950       0.7262198 7.021019       1.556084  
1 1 1 -19 10 18 o 68.70726 1.123700  47.14960       1.542041  48.94203       2.253191  45.57040       2.114921  2.450462       2.247401  
1 1 1 -19 10 19 o 118.6253 1.563973  141.0816       3.516660  141.4083       4.333205  140.4513       6.018919  0.4594421      3.127945  
1 1 1 -19 10 20 o 95.89131 1.067931  91.83618       2.044967  88.91924       2.800003  95.17075       2.993748  -3.255020      2.135861  
1 1 1 -19 10 21 o 92.47413 1.036137  85.55768       1.915980  84.65269       2.679557  86.50443       2.740687  -0.9997253     2.072275  
1 1 1 -19 10 22 o 162.5338 1.725208  264.7093       5.607659  262.8614       7.871877  266.6131       7.990304  -1.149002      3.450416  
1 1 1 -19 10 23 o 93.25845 1.043049  87.04283       1.945427  87.37485       2.761281  86.71559       2.741327  0.3528748      2.086098  
1 1 1 -19 10 24 o 104.2189 1.149633  108.3129       2.388916  113.9507       3.550029  103.6470       3.229543  4.932251       2.299266  
1 1 1 -19 10 25 o 57.28281 0.7331772 32.76035       0.8387978 34.09864       1.226406  31.58408       1.149777  2.193050       1.466354  
1 1 1 -19 10 26 o 14.78817 0.8558405 2.248044       0.2393253 1.391122       0.3328445 3.165305       0.3443637 -5.998343      1.711681  
1 1 1 -19 10 27 o 44.90848 0.6551396 19.96996       0.5851698 22.23528       0.8860113 18.21733       0.7793261 4.471039       1.310279  
1 1 1 -19 10 28 f 95.51672 1.068539  90.89046       2.033496  86.41221       2.735326  96.42333       3.040401  -5.227821      2.137078  
1 1 1 -19 10 29 o 105.4305 1.165486  110.8561       2.449077  116.9577       3.650731  105.8633       3.302436  5.243881       2.330973  
1 1 1 -19 10 30 o 33.61935 0.6256608 11.29969       0.4203196 10.65145       0.5863901 11.98470       0.6027927 -1.982399      1.251322  
1 1 1 -19 10 31 o 85.18925 0.9780325 72.58854       1.665126  70.78938       2.301669  74.56411       2.411882  -2.210426      1.956065  
1 1 1 -19 10 32 o 70.35631 0.8502230 49.55119       1.196358  49.43592       1.694678  49.66570       1.689145  -0.1635361     1.700446  
1 1 1 -19 10 33 o 90.67570 1.436756  82.46381       2.605346  81.61356       3.654820  83.34227       3.714946  -0.9486618     2.873512  
1 1 1 -19 10 34 o 27.13426 0.6656387 7.372199       0.3603098 6.705794       0.5054279 8.060823       0.5137850 -2.496595      1.331277  
1 1 1 -19 10 35 o 38.05984 0.6520334 14.48495       0.4958861 13.64722       0.6918818 15.36984       0.7110903 -2.262295      1.304067  
1 1 1 -19 10 36 o 18.26402 0.7870539 3.335615       0.2856584 3.872736       0.4136413 2.845893       0.3949692 2.810139       1.574108  
1 1 1 -19 10 37 o 31.67470 0.6774327 10.02571       0.4284115 9.226929       0.5940180 10.89156       0.6184512 -2.626539      1.354865  
1 1 1 -19 10 38 o 35.31131 0.6689390 12.47360       0.4718865 11.66738       0.6592752 13.32055       0.6757256 -2.340065      1.337878  
1 1 1 -19 10 39 o 81.22528 0.9590262 66.03583       1.556823  64.10188       2.152293  68.15805       2.254632  -2.488914      1.918052  
1 1 1 -19 10 40 o 19.14050 0.8349606 3.682254       0.3179721 3.249366       0.4495201 4.115759       0.4498411 -2.263224      1.669921  
1 1 1 -19 10 41 o 77.94211 1.018839  60.89102       1.565532  61.08956       2.429446  60.75002       2.047277  0.1808472      2.037677  
1 1 1 -19 10 42 o 29.00059 0.7276316 8.232645       0.4169594 10.19154       0.6446287 6.823554       0.5467304 5.799372       1.455263  
1 1 1 -19 10 43 o 28.65739 0.7327381 8.230194       0.4197450 8.022491       0.5980700 8.431813       0.5892465 -0.7148609     1.465476  
1 1 1 -19 10 44 o 51.69747 0.7559677 26.69708       0.7804563 25.22805       1.069428  28.37098       1.141564  -3.033394      1.511935  
1 1 1 -19 10 45 f 71.44526 0.8899829 51.16874       1.271323  51.90660       1.824825  50.47284       1.772176  0.9975433      1.779966  
1 1 1 -19 10 46 o 15.57466 1.049825  2.421066       0.3260122 2.647141       0.4839833 2.233281       0.4410969 1.322610       2.099651  
1 1 1 -19 10 47 o 44.12826 0.7436321 19.42690       0.6545932 20.74365       0.9694988 18.32370       0.8874077 2.733551       1.487264  
1 1 1 -19 10 48 o 17.92798 1.010499  3.206572       0.3610648 3.585001       0.5345424 2.889035       0.4896513 1.934399       2.020998  
1 1 1 -19 10 49 o 82.47565 0.9947981 68.31021       1.640917  68.34888       2.325901  68.27188       2.315349  0.4509735E-01  1.989596  
1 1 1 -19 10 50 f 93.27222 1.190073  87.78972       2.200213  86.02132       3.323182  89.16989       2.935838  -1.765923      2.380147  
1 1 1 -19 10 51 o 56.89968 0.9000044 32.54360       1.006932  32.30110       1.571955  32.71235       1.311265  -0.4025497     1.800009  
1 1 1 -19 10 52 o 45.78320 1.016204  21.46879       0.8995860 19.37568       1.431084  22.83618       1.156689  -3.828812      2.032408  
1 1 1 -19 10 53 o 19.89521 1.468559  3.946053       0.5696214 4.267594       0.9291782 3.752455       0.7209910 1.234686       2.937119  
1 1 1 -19 10 54 o 15.33664 1.914799  2.512385       0.5414261 2.222024       0.9032364 2.675229       0.6764209 -1.834822      3.829597  
1 1 1 -19 10 55 o 36.00661 1.155836  13.04386       0.8207811 13.25184       1.275568  12.89689       1.072248  0.4407997      2.311671  
1 1 1 -19 10 56 o 57.65430 1.217126  33.57959       1.401485  31.44552       1.976720  35.73661       1.987321  -3.718452      2.434253  
1 1 1 -19 10 57 o 39.30864 1.513632  16.13356       1.066268  14.69262       1.966804  16.73335       1.268924  -2.848492      3.027265  
1 1 1 -19 10 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 11 1  o 45.02427 1.002893  20.27669       0.9028177 20.00774       1.258388  20.56196       1.295997  -0.6146851     2.005787  
1 1 1 -19 11 2  o 78.04662 1.311822  60.52964       2.036655  56.96487       2.715137  65.11604       3.079721  -5.212387      2.623644  
1 1 1 -19 11 3  o 44.84244 0.9961807 20.04088       0.8915921 21.80492       1.306103  18.50154       1.220091  3.681664       1.992361  
1 1 1 -19 11 4  o 110.5300 1.729576  122.1893       3.819366  125.9649       5.558129  118.8114       5.257223  3.226295       3.459152  
1 1 1 -19 11 5  f 61.22177 1.125570  37.49419       1.377755  37.07927       1.920423  37.93424       1.977721  -0.6970825     2.251139  
1 1 1 -19 11 6  o 59.50630 1.103616  35.13132       1.306215  32.70975       1.739417  38.26288       1.978038  -4.661282      2.207232  
1 1 1 -19 11 7  o 93.40596 1.037802  87.21240       1.937288  85.30740       2.678126  89.30338       2.805809  -2.136681      2.075603  
1 1 1 -19 11 8  f 88.67375 0.9932023 78.65171       1.761124  79.57992       2.518659  77.76371       2.463470  1.023125       1.986405  
1 1 1 -19 11 9  o 146.5891 1.560969  215.0701       4.575068  212.1753       6.377719  218.1390       6.566664  -2.028900      3.121938  
1 1 1 -19 11 10 o 36.95445 0.5856308 13.65846       0.4328184 13.68519       0.6149164 13.63222       0.6093174 0.7160568E-01  1.171262  
1 1 1 -19 11 11 o 133.7444 1.724178  181.5481       4.477296  168.5276       7.112916  190.0926       5.762041  -8.103943      3.448357  
1 1 1 -19 11 12 f 100.8898 1.421917  101.9454       2.822341  101.6227       4.403653  102.1703       3.676758  -0.2906418     2.843834  
1 1 1 -19 11 13 o 65.65118 1.075492  43.10909       1.411637  43.79720       2.029355  42.46399       1.964918  1.014030       2.150985  
1 1 1 -19 11 14 o 50.31023 0.9009229 24.87217       0.8970418 22.31682       1.169851  28.51887       1.397510  -6.159679      1.801846  
1 1 1 -19 11 15 o 130.6771 1.972120  171.1035       5.152966  168.8099       7.192212  173.5226       7.386460  -1.795151      3.944240  
1 1 1 -19 11 16 o 67.41214 0.9760103 44.64205       1.230337  43.21280       1.483852  47.78626       2.200860  -3.377113      1.952021  
1 1 1 -19 11 17 o 31.49793 0.5944534 9.881666       0.3735476 10.51468       0.5526758 9.349279       0.5068466 1.849358       1.188907  
1 1 1 -19 11 18 o 57.10686 0.7273606 32.04065       0.8211992 36.47728       1.285824  28.98448       1.067196  6.556622       1.454721  
1 1 1 -19 11 19 o 133.7913 1.437544  178.8658       3.839723  173.1421       5.245090  185.4752       5.636378  -4.595413      2.875088  
1 1 1 -19 11 20 o 36.90747 0.6086181 13.54066       0.4477973 14.75447       0.6663511 12.54108       0.6046915 2.997589       1.217236  
1 1 1 -19 11 21 o 112.9329 1.232633  127.1282       2.774250  121.4174       3.739004  134.1229       4.138035  -5.611526      2.465266  
1 1 1 -19 11 22 o 74.41503 0.8732340 55.37723       1.299108  56.59250       1.870025  54.24366       1.806077  1.576523       1.746468  
1 1 1 -19 11 23 o 23.05331 0.6354830 5.211565       0.2900732 6.264555       0.4471047 4.446182       0.3811863 3.942497       1.270966  
1 1 1 -19 11 24 o 160.1685 1.704361  257.2336       5.459539  258.5236       7.756911  255.9673       7.685492  0.7938995      3.408721  
1 1 1 -19 11 25 o 44.73385 0.6558844 19.70693       0.5819855 17.54323       0.7661151 22.65933       0.8949181 -5.715473      1.311769  
1 1 1 -19 11 26 o 69.26854 0.8313454 47.89393       1.149705  50.01498       1.687859  46.05793       1.570349  2.852684       1.662691  
1 1 1 -19 11 27 o 44.17017 0.6543814 19.40304       0.5763198 17.93596       0.7796163 21.17075       0.8557757 -3.659664      1.308763  
1 1 1 -19 11 28 o 103.2205 1.143714  106.6391       2.359680  108.9451       3.408900  104.5176       3.269638  2.137573       2.287427  
1 1 1 -19 11 29 o 55.83762 0.7325376 31.15107       0.8173459 30.03668       1.127444  32.38554       1.186630  -2.101311      1.465075  
1 1 1 -19 11 30 o 61.77574 0.7797653 38.18605       0.9633124 37.58719       1.350994  38.80544       1.373955  -0.9851608     1.559531  
1 1 1 -19 11 31 o 78.23679 0.9169108 61.22275       1.433743  59.70101       1.983445  62.88802       2.074883  -2.032501      1.833822  
1 1 1 -19 11 32 o 49.65441 0.9409377 24.54748       0.9315658 22.87244       1.258967  26.57434       1.384883  -3.721317      1.881875  
1 1 1 -19 11 33 o 116.6763 1.278951  136.4824       2.984463  136.3493       4.221053  136.6155       4.220283  -0.1140900     2.557901  
1 1 1 -19 11 34 o 69.20092 0.8432156 47.76347       1.164201  45.44974       1.580631  50.50702       1.721194  -3.647003      1.686431  
1 1 1 -19 11 35 o 31.83113 0.6543999 10.16034       0.4157849 9.608718       0.5951048 10.68641       0.5811603 -1.693445      1.308800  
1 1 1 -19 11 36 o 51.79546 0.7258381 26.80614       0.7511941 25.63836       1.035877  28.10141       1.090960  -2.374859      1.451676  
1 1 1 -19 11 37 o 76.80780 0.9142407 58.79597       1.399200  62.45953       2.090853  55.82470       1.882968  4.305336       1.828481  
1 1 1 -19 11 38 o 36.85457 0.6740211 13.59354       0.4966360 13.08927       0.6969348 14.11379       0.7078921 -1.389359      1.348042  
1 1 1 -19 11 39 o 15.12409 0.9405098 2.303164       0.2821606 1.957400       0.3977228 2.653529       0.4003609 -2.301182      1.881020  
1 1 1 -19 11 40 o 31.73738 0.6779873 10.08581       0.4303051 9.923967       0.6088791 10.24730       0.6082081 -0.5094242     1.355975  
1 1 1 -19 11 41 o 55.49696 1.126633  30.63779       1.243488  33.50800       1.884452  28.42416       1.654934  4.553490       2.253265  
1 1 1 -19 11 42 o 51.36462 0.7492398 26.39899       0.7689852 27.07427       1.116500  25.78957       1.060666  1.246105       1.498480  
1 1 1 -19 11 43 o 61.06208 0.8161969 37.36248       0.9966165 36.44094       1.402077  38.30360       1.416897  -1.523819      1.632394  
1 1 1 -19 11 44 o 51.05585 0.7663538 26.06264       0.7815291 24.36292       1.078914  27.93906       1.133612  -3.497021      1.532708  
1 1 1 -19 11 45 o 21.93661 0.9025144 4.799462       0.3917335 5.008538       0.6049981 4.648527       0.5140392 0.8097153      1.805029  
1 1 1 -19 11 46 o 47.49699 0.7670150 22.62062       0.7281505 21.69096       1.029895  23.54980       1.029626  -1.956821      1.534030  
1 1 1 -19 11 47 o 9.030869 1.778723  0.8629318      0.3326541 0.7197370      0.5274783 0.9574913      0.4286407 -1.028521      3.557446  
1 1 1 -19 11 48 o 37.48562 0.7659923 14.04132       0.5721836 14.58982       0.8525097 13.59167       0.7718667 1.322220       1.531985  
1 1 1 -19 11 49 o 20.55795 0.9944692 4.320914       0.4008905 3.756922       0.6043908 4.763984       0.5356945 -2.460438      1.988938  
1 1 1 -19 11 50 o 49.34193 0.8035798 24.44004       0.7924058 23.92007       1.135172  24.93419       1.106635  -1.031689      1.607160  
1 1 1 -19 11 51 o 46.08282 0.9047103 21.37150       0.8289995 20.85103       1.232410  21.80162       1.120350  -1.049408      1.809421  
1 1 1 -19 11 52 o 43.91202 1.114949  19.26643       0.9705200 20.47145       1.491837  18.38223       1.277907  2.333206       2.229898  
1 1 1 -19 11 53 o 39.16752 1.119887  15.53651       0.8722642 14.15130       1.261780  16.80441       1.207168  -3.399067      2.239773  
1 1 1 -19 11 54 o 19.93842 1.519184  4.005857       0.5844173 4.137688       0.9694393 3.930598       0.7324796 0.4395065      3.038367  
1 1 1 -19 11 55 f 31.80989 1.206079  10.29753       0.7522531 9.741092       1.168293  10.69161       0.9831865 -1.543304      2.412159  
1 1 1 -19 11 56 o 62.82177 1.255413  39.91777       1.575308  39.17382       2.273572  40.60472       2.184726  -1.165504      2.510827  
1 1 1 -19 11 57 o 49.30585 1.181911  24.22906       1.151312  26.54902       1.802375  22.62996       1.496390  3.884296       2.363822  
1 1 1 -19 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 12 1  o 175.6098 2.646344  309.2433       9.278825  300.0023       12.68956  319.8615       13.60242  -5.596481      5.292689  
1 1 1 -19 12 2  o 68.54474 1.206808  46.98774       1.653118  46.04724       2.284751  48.02106       2.394858  -1.436699      2.413615  
1 1 1 -19 12 3  o 16.20006 1.484278  2.662936       0.4527144 1.832966       0.6151260 3.643753       0.6686929 -5.758171      2.968557  
1 1 1 -19 12 4  o 68.52340 1.203890  46.65372       1.641201  43.84369       2.188907  50.26181       2.480330  -4.675262      2.407779  
1 1 1 -19 12 5  o 71.65563 1.237759  51.33369       1.772653  53.06752       2.565109  49.74874       2.452501  2.312683       2.475518  
1 1 1 -19 12 6  f 53.34931 1.056826  28.15766       1.119870  25.83081       1.481334  31.26125       1.710806  -5.084175      2.113653  
1 1 1 -19 12 7  o 116.4485 1.813137  135.8120       4.221263  138.2787       6.068059  133.4987       5.876103  2.044792       3.626274  
1 1 1 -19 12 8  o 82.20790 1.106275  68.61995       1.782507  61.92988       2.731026  73.58508       2.352749  -7.097878      2.212551  
1 1 1 -19 12 9  o 39.87608 0.7506804 15.90697       0.5986666 15.83423       0.8485913 15.97904       0.8447069 -0.1816368     1.501361  
1 1 1 -19 12 10 o 90.21246 1.396100  81.10191       2.509924  77.26018       3.381428  85.81563       3.745575  -4.730644      2.792200  
1 1 1 -19 12 11 o 182.5030 2.718221  334.5931       9.920995  336.8648       14.12971  332.3841       13.93317  1.215683       5.436441  
1 1 1 -19 12 12 o 124.5346 1.646874  154.1207       3.833829  151.9327       4.641237  158.8207       6.802186  -2.686455      3.293749  
1 1 1 -19 12 13 o 201.7150 2.124784  407.0061       8.553117  423.5238       12.60749  392.9215       11.64199  7.538559       4.249568  
1 1 1 -19 12 14 o 99.37666 1.106030  98.81582       2.197860  99.87433       3.144745  97.80505       3.072985  1.039268       2.212059  
1 1 1 -19 12 15 o 192.6805 2.032375  370.5805       7.801322  390.9321       11.66677  354.1211       10.49197  9.495087       4.064749  
1 1 1 -19 12 16 o 165.4031 1.755201  274.1582       5.805993  275.6653       8.262700  272.6883       8.160088  0.8954468      3.510402  
1 1 1 -19 12 17 o 122.4157 1.325442  149.9408       3.243137  153.0471       4.685252  147.0833       4.493719  2.429276       2.650883  
1 1 1 -19 12 18 o 138.3132 1.482442  191.5618       4.099562  188.9030       5.713055  194.3840       5.886131  -1.974274      2.964884  
1 1 1 -19 12 19 f 106.6774 1.175518  113.4560       2.499508  108.5282       3.372050  119.4654       3.723735  -5.114189      2.351035  
1 1 1 -19 12 20 o 97.46988 1.084811  95.05782       2.113990  93.51178       2.942959  96.70599       3.038603  -1.635338      2.169622  
1 1 1 -19 12 21 o 68.50182 0.8244384 46.26910       1.117980  51.68718       1.738573  42.44909       1.459831  6.735451       1.648877  
1 1 1 -19 12 22 o 163.4605 1.737554  267.8424       5.678359  263.8588       7.903417  272.0928       8.163735  -2.503464      3.475109  
1 1 1 -19 12 23 o 90.02773 1.016978  81.07204       1.830056  82.79765       2.643029  79.48279       2.536441  1.837288       2.033956  
1 1 1 -19 12 24 o 16.56206 0.7584276 2.673569       0.2479401 3.297136       0.3878985 2.242813       0.3223976 3.181115       1.516855  
1 1 1 -19 12 25 o 52.08428 0.7030473 27.14016       0.7321538 27.26912       1.048869  27.01759       1.022479  0.2406998      1.406095  
1 1 1 -19 12 26 o 11.68809 1.166582  1.560543       0.2333555 0.7023315      0.3428198 2.301518       0.3185447 -6.954923      2.333164  
1 1 1 -19 12 27 o 27.13894 0.6462552 7.390080       0.3497764 6.907468       0.5019129 7.845765       0.4877099 -1.729109      1.292510  
1 1 1 -19 12 28 o 61.10421 0.7747324 37.15902       0.9432355 39.71342       1.410389  35.09206       1.268705  3.776390       1.549465  
1 1 1 -19 12 29 o 86.58254 0.9924499 75.00954       1.717567  76.71929       2.481039  73.43604       2.380117  1.891068       1.984900  
1 1 1 -19 12 30 o 37.83107 0.8572562 14.28964       0.6469451 12.90972       0.8922933 15.81897       0.9393570 -3.842949      1.714512  
1 1 1 -19 12 31 o 20.14287 0.7600918 3.814294       0.2947905 5.716949       0.4833388 2.687322       0.3719872 7.515814       1.520184  
1 1 1 -19 12 32 o 38.70607 0.6614223 14.99418       0.5117332 14.35377       0.7210132 15.64421       0.7264170 -1.666771      1.322845  
1 1 1 -19 12 33 o 14.30804 0.9405004 2.037082       0.2662136 2.137476       0.4118666 1.965043       0.3488884 0.5989399      1.881001  
1 1 1 -19 12 34 o 20.40797 0.7636368 4.090935       0.3079838 4.684127       0.4831731 3.684977       0.3997104 2.443560       1.527274  
1 1 1 -19 12 35 o 78.12840 0.9260099 60.67307       1.439528  56.73728       1.920787  65.71634       2.174302  -5.729889      1.852020  
1 1 1 -19 12 36 o 58.49686 0.7735351 34.14077       0.9026415 35.87941       1.336108  32.68102       1.224268  2.727436       1.547070  
1 1 1 -19 12 37 o 36.54842 0.6842028 13.24227       0.4969534 14.51322       0.7566487 12.27814       0.6590192 3.052238       1.368406  
1 1 1 -19 12 38 o 49.19213 0.7278309 23.91385       0.7096381 26.55774       1.096660  22.00929       0.9307787 4.612675       1.455662  
1 1 1 -19 12 39 o 35.21745 0.7054104 12.43481       0.4955946 12.18149       0.7229906 12.65934       0.6806750 -0.6812706     1.410821  
1 1 1 -19 12 40 o 48.30560 0.7382662 23.35395       0.7127235 22.12252       0.9943921 24.65488       1.022064  -2.619072      1.476532  
1 1 1 -19 12 41 o 9.504061 1.540443  0.9461672      0.3271187 0.2146043      0.4730902 1.616346       0.4528075 -6.358048      3.080885  
1 1 1 -19 12 42 o 39.89931 0.7250547 15.96791       0.5775433 15.52596       0.8351812 16.37293       0.7995242 -1.064346      1.450109  
1 1 1 -19 12 43 o 19.81224 0.9351578 4.067589       0.3583492 3.202216       0.5403072 4.747185       0.4788118 -3.905893      1.870316  
1 1 1 -19 12 44 o 7.433519 1.656263  0.3437340      0.3154032 1.048904       0.5046940 -0.1081543     0.4040143 5.111150       3.312525  
1 1 1 -19 12 45 o 38.03884 0.7409409 14.28487       0.5585559 16.10947       0.8641638 12.97563       0.7320164 4.105911       1.481882  
1 1 1 -19 12 46 o 31.28891 0.7786192 9.716409       0.4840369 10.65448       0.7379786 9.008168       0.6412343 2.620016       1.557238  
1 1 1 -19 12 47 o 27.97354 0.8163574 7.792698       0.4532263 8.267660       0.6927196 7.437206       0.5992994 1.473133       1.632715  
1 1 1 -19 12 48 o 22.04321 0.9275441 4.856949       0.4051032 5.028857       0.6212115 4.729753       0.5343540 0.6654549      1.855088  
1 1 1 -19 12 49 o 44.09747 0.7818179 19.33986       0.6852825 20.95533       1.041529  18.10663       0.9100040 3.211948       1.563636  
1 1 1 -19 12 50 o 42.13995 0.8765794 17.77376       0.7332115 18.24132       1.113422  17.41576       0.9742866 0.9579735      1.753159  
1 1 1 -19 12 51 o 45.57053 1.085536  20.89486       0.9849873 20.91334       1.463557  20.87955       1.331722  0.1028061E-01  2.171071  
1 1 1 -19 12 52 o 50.87414 1.115270  26.07704       1.130096  25.90745       1.672825  26.21942       1.532742  -0.3377113     2.230540  
1 1 1 -19 12 53 o 21.80677 1.375847  4.428786       0.5753335 6.409243       0.9975901 3.441779       0.7042547 6.715876       2.751695  
1 1 1 -19 12 54 f 33.62801 1.163475  11.29257       0.7708160 12.03153       1.214169  10.79367       0.9976459 1.785038       2.326951  
1 1 1 -19 12 55 o 37.84958 1.149957  14.52082       0.8619450 13.90148       1.297680  15.00980       1.153047  -1.502682      2.299914  
1 1 1 -19 12 56 o 44.28333 1.152969  19.54831       1.009362  21.38550       1.575743  18.26993       1.314434  3.441635       2.305937  
1 1 1 -19 12 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 13 1  o 169.7995 2.567189  289.8156       8.716174  286.4814       12.17268  293.3239       12.48637  -1.991302      5.134377  
1 1 1 -19 13 2  o 133.0022 2.045115  177.2555       5.434493  182.3457       7.904618  172.6929       7.483711  3.604523       4.090231  
1 1 1 -19 13 3  o 52.68145 1.053496  27.68411       1.107728  26.37161       1.508707  29.21919       1.631632  -2.699104      2.106992  
1 1 1 -19 13 4  o 68.77990 1.211724  46.85382       1.655545  51.67660       2.527529  43.22993       2.190962  6.129501       2.423449  
1 1 1 -19 13 5  o 74.69624 1.812918  0.000000       0.000000  ?              ?         55.86286       2.708363  ?              ?         
1 1 1 -19 13 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 13 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 13 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 13 9  f 66.07014 1.674371  43.69674       2.212518  43.69674       2.212518  ?              ?         ?              ?         
1 1 1 -19 13 10 o 88.84589 1.254206  77.42452       2.029453  82.89074       3.807652  75.25548       2.398542  4.252213       2.508412  
1 1 1 -19 13 11 o 119.2830 1.292288  142.4595       3.082960  142.4734       4.360216  142.4456       4.359713  0.1165009E-01  2.584577  
1 1 1 -19 13 12 f 34.27843 0.5939463 11.36802       0.4002022 14.06992       0.6413160 9.644814       0.5121616 6.452599       1.187893  
1 1 1 -19 13 13 f 180.2883 1.905688  325.8975       6.870519  329.0345       9.814634  322.8830       9.621019  1.695923       3.811376  
1 1 1 -19 13 14 o 51.77246 0.6907292 25.75589       0.6979837 31.82806       1.151579  22.22977       0.8775469 9.264324       1.381458  
1 1 1 -19 13 15 f 40.79974 0.6229085 16.59103       0.5073416 15.61104       0.6926172 17.72561       0.7452492 -2.590431      1.245817  
1 1 1 -19 13 16 o 113.0457 1.235757  127.6132       2.787766  123.0390       3.793912  132.9813       4.110028  -4.385559      2.471514  
1 1 1 -19 13 17 o 124.0848 1.343516  154.2090       3.334028  155.2432       4.744337  153.1999       4.686254  0.8208771      2.687032  
1 1 1 -19 13 18 o 53.43554 0.7098168 28.32062       0.7545801 30.96099       1.141160  26.26918       1.005872  4.387012       1.419634  
1 1 1 -19 13 19 o 122.3209 1.326634  149.6247       3.241170  154.4770       4.733120  145.3401       4.447605  3.722099       2.653268  
1 1 1 -19 13 20 o 53.96202 0.7105791 28.72449       0.7606212 26.03813       1.000575  32.40212       1.170714  -5.892597      1.421158  
1 1 1 -19 13 21 o 46.03853 0.6627252 21.19864       0.6101282 20.76393       0.8547189 21.65030       0.8712210 -0.9622459     1.325450  
1 1 1 -19 13 22 o 80.38286 0.9288332 64.52731       1.490681  67.08186       2.187038  62.31078       2.037211  2.962402       1.857666  
1 1 1 -19 13 23 o 130.3050 1.407329  169.7973       3.660760  164.1472       4.996495  176.3450       5.378812  -4.657982      2.814659  
1 1 1 -19 13 24 o 28.46570 0.6275067 8.029191       0.3553431 8.885215       0.5374460 7.364355       0.4736417 2.669621       1.255013  
1 1 1 -19 13 25 o 62.02425 0.7803923 38.16515       0.9626833 35.47572       1.281536  41.64827       1.458433  -4.969669      1.560785  
1 1 1 -19 13 26 o 80.78310 0.9380646 65.29123       1.514815  66.63472       2.185044  64.04802       2.101916  1.597374       1.876129  
1 1 1 -19 13 27 o 109.8406 1.210911  120.6670       2.656262  116.9311       3.639793  124.9239       3.885253  -3.623848      2.421823  
1 1 1 -19 13 28 o 27.46453 0.6724678 7.465050       0.3670640 8.306882       0.5586323 6.825438       0.4869358 2.694527       1.344936  
1 1 1 -19 13 29 o 79.07957 0.9284799 62.60262       1.468179  63.32479       2.101768  61.91440       2.051773  0.8892670      1.856960  
1 1 1 -19 13 30 o 41.24072 0.6663018 16.41785       0.5391491 20.40208       0.8710994 13.94389       0.6864237 7.823048       1.332604  
1 1 1 -19 13 31 o 45.97360 0.6867876 21.15402       0.6313677 20.66216       0.8919179 21.64804       0.8938627 -1.072140      1.373575  
1 1 1 -19 13 32 o 30.82031 0.6556508 9.483842       0.4023840 9.738808       0.6010908 9.276806       0.5416529 0.7469864      1.311302  
1 1 1 -19 13 33 f 22.75808 0.7268682 5.214540       0.3281330 4.915473       0.4881216 5.461118       0.4432213 -1.201073      1.453736  
1 1 1 -19 13 34 f 20.07083 0.8040375 4.112723       0.3164737 3.418699       0.4676709 4.699010       0.4298412 -3.191584      1.608075  
1 1 1 -19 13 35 o 33.73796 0.6771740 11.41444       0.4560713 10.75295       0.6507237 12.05309       0.6393901 -1.927414      1.354348  
1 1 1 -19 13 36 o 72.56892 0.8837395 52.65419       1.281237  50.52296       1.762375  55.04326       1.865943  -3.106903      1.767479  
1 1 1 -19 13 37 o 67.65794 0.8474118 45.84099       1.146144  46.37915       1.650231  45.33947       1.593065  0.7640762      1.694824  
1 1 1 -19 13 38 o 61.30665 0.8058073 37.39112       0.9830353 40.17362       1.483374  35.21220       1.312669  4.033070       1.611615  
1 1 1 -19 13 39 o 77.26886 0.9345272 59.68375       1.441678  56.98946       1.968939  62.79778       2.116759  -3.744133      1.869054  
1 1 1 -19 13 40 o 25.21970 0.7937181 6.436438       0.3958327 5.829813       0.5880088 6.939151       0.5352829 -2.203812      1.587436  
1 1 1 -19 13 41 o 65.77370 0.8468031 43.36824       1.113803  42.87492       1.581728  43.85344       1.568665  -0.7451248     1.693606  
1 1 1 -19 13 42 o 21.83092 0.8544707 4.788245       0.3680331 4.714252       0.5668355 4.842171       0.4839025 -0.3016644     1.708941  
1 1 1 -19 13 43 o 22.95209 0.8514942 5.278330       0.3852853 5.305239       0.5981993 5.259254       0.5036657 0.8960724E-01  1.702988  
1 1 1 -19 13 44 f 80.13608 0.9703431 64.14709       1.549342  67.82203       2.315065  61.16591       2.085129  4.122635       1.940686  
1 1 1 -19 13 45 o 36.07917 0.7572151 13.04404       0.5443134 13.08363       0.8062563 13.01088       0.7378368 0.9341431E-01  1.514430  
1 1 1 -19 13 46 f 17.88770 1.052026  3.181240       0.3733298 3.468557       0.5735433 2.970007       0.4917750 1.380915       2.104053  
1 1 1 -19 13 47 o 49.58473 0.7851290 24.63804       0.7778725 23.17154       1.085815  26.18422       1.114918  -3.034267      1.570258  
1 1 1 -19 13 48 o 26.18344 0.8737476 6.694454       0.4512641 8.211571       0.7105954 5.669104       0.5841831 4.835789       1.747495  
1 1 1 -19 13 49 f 20.52445 1.154969  4.344907       0.4552774 3.827686       0.7302980 4.673709       0.5822761 -2.090574      2.309938  
1 1 1 -19 13 50 o 55.84297 1.135004  31.30986       1.262427  32.29370       1.884305  30.50860       1.700493  1.559731       2.270007  
1 1 1 -19 13 51 o 12.26857 2.116534  1.535192       0.4952098 1.850942       0.8522123 1.374222       0.6084846 1.772380       4.233068  
1 1 1 -19 13 52 o 39.35854 1.099236  15.62490       0.8587047 15.42034       1.292008  15.78676       1.149269  -0.4986496     2.198471  
1 1 1 -19 13 53 f 16.72107 1.698880  2.773022       0.5509635 3.143306       0.9187050 2.565044       0.6885220 1.642715       3.397759  
1 1 1 -19 13 54 o 17.07596 1.831979  3.228404       0.5641996 2.337207       0.9054798 3.793998       0.7213477 -4.587177      3.663957  
1 1 1 -19 13 55 o 20.61187 1.542014  4.383059       0.6221939 3.959346       0.9557050 4.694757       0.8196999 -1.835777      3.084028  
1 1 1 -19 13 56 o 12.20685 2.658779  1.364687       0.6276928 2.089981       1.307179  1.147329       0.7155924 3.473084       5.317559  
1 1 1 -19 14 1  o 103.0992 1.642145  106.4312       3.382647  103.7203       4.659177  109.4529       4.918956  -2.765793      3.284290  
1 1 1 -19 14 2  o 13.16920 2.579032  0.000000       0.000000  ?              ?         1.799312       0.6550554 ?              ?         
1 1 1 -19 14 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 14 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 14 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 14 6  o 43.45930 1.433380  18.90453       1.245874  18.90453       1.245874  ?              ?         ?              ?         
1 1 1 -19 14 7  o 51.80208 1.060628  26.86285       1.098797  27.04675       1.549592  26.67687       1.558312  0.3573112      2.121257  
1 1 1 -19 14 8  f 56.60912 1.101384  31.98866       1.245030  33.78194       1.823651  30.42313       1.703917  2.962513       2.202768  
1 1 1 -19 14 9  o 96.70187 1.073298  93.57810       2.075301  94.94248       2.974653  92.28427       2.896736  1.371803       2.146596  
1 1 1 -19 14 10 o 155.5189 1.656053  242.0172       5.143298  250.1636       7.524020  234.8714       7.046851  4.891418       3.312105  
1 1 1 -19 14 11 o 87.82360 1.228010  78.58354       2.068892  82.41032       2.618543  72.22604       3.375100  5.827408       2.456019  
1 1 1 -19 14 12 f 91.16326 1.487221  82.98852       2.704963  87.25719       3.999050  79.38840       3.672561  4.300003       2.974442  
1 1 1 -19 14 13 o 58.05664 1.123731  33.40130       1.295732  30.99221       1.713822  36.61578       1.979678  -4.833351      2.247462  
1 1 1 -19 14 14 o 115.0815 1.805257  132.7007       4.151722  136.2841       6.018813  129.4481       5.734355  2.952995       3.610514  
1 1 1 -19 14 15 f 66.61565 1.008908  45.47644       1.289994  40.34065       2.078668  48.69328       1.645112  -6.283680      2.017816  
1 1 1 -19 14 16 o 79.70814 1.001108  63.83173       1.587126  61.01215       2.340625  66.23157       2.159385  -3.280243      2.002216  
1 1 1 -19 14 17 o 30.00994 0.6054498 8.778738       0.3587120 10.76144       0.5616231 7.412593       0.4661921 5.577547       1.210900  
1 1 1 -19 14 18 f 179.3142 1.899308  322.5427       6.808213  328.2923       9.811177  317.2027       9.455219  3.067749       3.798616  
1 1 1 -19 14 19 o 24.81296 0.6305836 6.152763       0.3095787 5.002773       0.4262679 7.436331       0.4503444 -4.903227      1.261167  
1 1 1 -19 14 20 o 143.1895 1.535478  205.5915       4.397163  206.4364       6.246481  204.7616       6.190948  0.5812988      3.070956  
1 1 1 -19 14 21 o 34.60489 0.6236763 11.97858       0.4313777 11.40871       0.6052957 12.56674       0.6149390 -1.672958      1.247353  
1 1 1 -19 14 22 o 93.73613 1.053578  87.96564       1.974744  89.02824       2.828055  86.95458       2.758657  1.102837       2.107157  
1 1 1 -19 14 23 f 68.19208 0.8280731 46.52911       1.129178  45.77353       1.579663  47.31861       1.614711  -1.131569      1.656146  
1 1 1 -19 14 24 o 113.0406 1.239843  127.9398       2.801292  125.2645       3.879482  130.8544       4.049219  -2.462555      2.479686  
1 1 1 -19 14 25 o 41.60461 0.6510335 17.19696       0.5394166 18.65295       0.8098376 16.03585       0.7231947 3.142426       1.302067  
1 1 1 -19 14 26 o 71.09372 1.176534  49.98265       1.658533  45.85529       2.178417  55.67418       2.558109  -6.882477      2.353069  
1 1 1 -19 14 27 o 79.16852 0.9290587 62.61988       1.468601  65.06863       2.153319  60.49026       2.008106  2.884300       1.858117  
1 1 1 -19 14 28 o 87.49008 1.004463  76.30487       1.751616  72.55437       2.361789  80.88960       2.611278  -4.749756      2.008927  
1 1 1 -19 14 29 o 85.54874 0.9881448 73.29856       1.690628  72.89474       2.378576  73.71086       2.403437  -0.4755783     1.976290  
1 1 1 -19 14 30 o 63.13218 0.7992842 39.77855       1.007397  37.89227       1.375150  41.96334       1.479967  -3.218990      1.598568  
1 1 1 -19 14 31 o 84.88918 0.9820797 72.11247       1.666041  70.16414       2.301022  74.25934       2.415414  -2.404335      1.964159  
1 1 1 -19 14 32 o 40.10934 0.6710728 16.09322       0.5379480 16.32347       0.7776856 15.88197       0.7449185 0.5488281      1.342146  
1 1 1 -19 14 33 f 84.03264 0.9797430 70.72694       1.646252  69.47902       2.299117  72.03996       2.358316  -1.519569      1.959486  
1 1 1 -19 14 34 o 11.26296 1.323778  1.403839       0.2718315 0.8601907      0.4145362 1.813969       0.3600514 -4.383589      2.647556  
1 1 1 -19 14 35 o 94.91973 1.080784  89.98175       2.045791  85.79594       2.767968  95.02109       3.037094  -4.834839      2.161569  
1 1 1 -19 14 36 o 34.49332 0.6867835 11.92752       0.4731741 11.46776       0.6775351 12.36524       0.6611058 -1.301979      1.373567  
1 1 1 -19 14 37 o 17.53380 0.9150801 3.060458       0.3174089 3.220460       0.4913474 2.945868       0.4158158 0.7761345      1.830160  
1 1 1 -19 14 38 o 63.43879 0.8300043 40.21943       1.051570  38.31039       1.440837  42.39525       1.538225  -3.211056      1.660009  
1 1 1 -19 14 39 o 32.54975 0.7253935 10.58376       0.4700242 10.89388       0.7036881 10.33395       0.6315734 0.8544273      1.450787  
1 1 1 -19 14 40 o 79.45717 1.390233  63.33757       2.204993  60.45242       3.005927  66.69858       3.244366  -3.891853      2.780465  
1 1 1 -19 14 41 o 43.70396 0.7344114 19.15887       0.6411704 18.46765       0.9179221 19.81746       0.8959799 -1.546268      1.468823  
1 1 1 -19 14 42 o 17.10636 1.052067  2.998386       0.3511524 2.607998       0.5379852 3.288164       0.4635055 -1.998274      2.104133  
1 1 1 -19 14 43 o 63.13010 0.8396906 39.88538       1.058251  41.17476       1.553271  38.76841       1.445699  1.893539       1.679381  
1 1 1 -19 14 44 o 9.957599 1.709044  0.9683033      0.3378146 1.483334       0.5471112 0.6509663      0.4294568 3.897860       3.418089  
1 1 1 -19 14 45 o 57.29442 0.8195400 32.72683       0.9343935 34.75581       1.408182  31.13074       1.248963  3.144356       1.639080  
1 1 1 -19 14 46 o 37.31601 0.7806095 13.97838       0.5802546 13.78656       0.8566818 14.14097       0.7887311 -0.4833565     1.561219  
1 1 1 -19 14 47 o 52.07935 1.087912  27.28986       1.132154  25.86918       1.595590  28.73035       1.606683  -2.744831      2.175823  
1 1 1 -19 14 48 o 31.03856 1.074753  9.627774       0.6563293 10.02576       1.034034  9.359252       0.8493576 1.038704       2.149506  
1 1 1 -19 14 49 o 34.91665 1.085426  12.19290       0.7505322 12.77542       1.155897  11.76830       0.9868588 1.408421       2.170852  
1 1 1 -19 14 50 o 26.85711 1.213028  7.141262       0.6354586 7.852927       1.038400  6.715184       0.8034736 2.061705       2.426057  
1 1 1 -19 14 51 o 10.80441 1.964550  1.314839       0.4913851 0.2100293      0.8250275 1.922216       0.6117215 -5.920170      3.929101  
1 1 1 -19 14 52 o 21.50086 1.383035  4.644954       0.5777792 4.818616       0.9429218 4.540548       0.7311129 0.5819283      2.766070  
1 1 1 -19 14 53 o 40.60612 1.121735  16.56705       0.9053211 17.09947       1.367408  16.15155       1.207995  1.126587       2.243471  
1 1 1 -19 14 54 o 11.27179 1.892099  1.396290       0.5517195 -0.4689957     0.8961182 2.534966       0.7001529 -9.029926      3.784199  
1 1 1 -19 14 55 o 28.71844 1.294564  8.412902       0.7260788 7.999322       1.142467  8.693140       0.9404296 -1.271343      2.589128  
1 1 1 -19 14 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 15 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 15 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 15 3  o 116.7213 2.583167  136.7147       6.030214  136.7147       6.030214  ?              ?         ?              ?         
1 1 1 -19 15 4  o 84.12242 1.405701  70.89236       2.364710  71.91836       3.377757  69.90614       3.311632  1.192650       2.811401  
1 1 1 -19 15 5  o 61.34312 1.149926  37.65024       1.409932  36.88582       1.953061  38.48220       2.037511  -1.297745      2.299852  
1 1 1 -19 15 6  o 145.5812 2.229656  212.8546       6.488364  209.2349       9.000136  216.7717       9.362450  -2.560120      4.459313  
1 1 1 -19 15 7  o 90.28038 1.478977  81.66922       2.670029  81.01614       3.737116  82.35019       3.816106  -0.7347565     2.957954  
1 1 1 -19 15 8  o 89.07064 1.463911  79.40287       2.605067  77.44426       3.586509  81.59022       3.790161  -2.316925      2.927822  
1 1 1 -19 15 9  o 64.60902 0.7815906 41.71959       1.009158  40.59639       1.393778  42.95725       1.463071  -1.825138      1.563181  
1 1 1 -19 15 10 o 50.59978 0.6746259 25.48669       0.6807507 27.32246       1.010748  23.96259       0.9209580 3.317909       1.349252  
1 1 1 -19 15 11 o 34.49710 0.5811218 11.87388       0.4003966 11.12159       0.5512287 12.71412       0.5825621 -2.307549      1.162244  
1 1 1 -19 15 12 f 117.2444 1.275895  136.8468       2.976877  129.7861       3.978229  145.8311       4.487511  -6.819046      2.551790  
1 1 1 -19 15 13 o 108.2447 1.188585  117.3418       2.573145  117.5601       3.646439  117.1253       3.631561  0.2001724      2.377170  
1 1 1 -19 15 14 o 95.88689 1.071620  91.34467       2.042802  85.95119       2.715711  98.37367       3.100246  -6.461876      2.143240  
1 1 1 -19 15 15 o 82.76346 0.9503483 68.53411       1.572484  67.41354       2.187695  69.73188       2.261811  -1.397766      1.900697  
1 1 1 -19 15 16 o 75.57635 1.120212  56.66276       1.556486  55.85128       1.858239  58.57069       2.849330  -1.753548      2.240424  
1 1 1 -19 15 17 o 90.63680 1.267221  83.39145       2.192884  86.12767       2.746570  78.58040       3.641960  4.211815       2.534442  
1 1 1 -19 15 18 o 50.26939 1.049302  25.30243       1.054896  25.55627       1.501601  25.05509       1.482282  0.4975967      2.098604  
1 1 1 -19 15 19 o 65.22942 1.188863  42.62566       1.550969  42.70416       2.191312  42.54685       2.195498  0.1208115      2.377726  
1 1 1 -19 15 20 o 69.92649 1.239012  48.96831       1.731990  48.18670       2.406011  49.80898       2.495234  -1.154922      2.478024  
1 1 1 -19 15 21 o 58.78953 1.130097  34.53699       1.326945  36.24558       1.939460  33.03330       1.819452  2.725636       2.260194  
1 1 1 -19 15 22 o 57.95494 0.9494181 33.96333       1.024259  32.70716       1.800828  34.56403       1.245306  -1.627098      1.898836  
1 1 1 -19 15 23 o 41.60688 0.8528519 17.87347       0.6530814 15.89714       1.146541  18.82267       0.7945850 -3.530376      1.705704  
1 1 1 -19 15 24 o 73.52670 1.203404  54.16690       1.769462  53.28061       2.481703  55.08338       2.523617  -1.223282      2.406809  
1 1 1 -19 15 25 f 42.65672 0.6636223 18.19093       0.5658598 17.43052       0.7874560 19.00284       0.8136816 -1.842060      1.327245  
1 1 1 -19 15 26 o 70.53999 0.8545549 49.80725       1.205439  50.30038       1.722043  49.33345       1.687966  0.6837616      1.709110  
1 1 1 -19 15 27 o 34.73742 0.6489162 12.08616       0.4503079 11.80126       0.6479695 12.35227       0.6262489 -0.7939186     1.297832  
1 1 1 -19 15 28 o 79.92870 0.9400964 63.96732       1.502459  63.18074       2.097598  64.79607       2.153085  -1.007217      1.880193  
1 1 1 -19 15 29 o 38.67356 0.6606518 14.94445       0.5100902 13.73662       0.7071757 16.25442       0.7364687 -3.253876      1.321304  
1 1 1 -19 15 30 o 76.53976 0.9121096 58.55385       1.394282  56.40992       1.910805  60.99524       2.039062  -2.987167      1.824219  
1 1 1 -19 15 31 o 25.73779 0.7017503 6.625373       0.3585820 6.676098       0.5418357 6.585845       0.4783079 0.1721668      1.403501  
1 1 1 -19 15 32 f 95.52910 1.085293  91.12259       2.067431  86.92890       2.796581  96.17673       3.070102  -4.817268      2.170586  
1 1 1 -19 15 33 o 45.81462 0.7004482 21.01701       0.6416503 20.44921       0.9067913 21.58641       0.9080712 -1.241016      1.400896  
1 1 1 -19 15 34 o 21.97764 0.7804947 4.699136       0.3377796 6.006672       0.5282269 3.794602       0.4393452 5.026491       1.560989  
1 1 1 -19 15 35 f 39.72598 0.6913568 15.76130       0.5478700 16.33802       0.8098712 15.27466       0.7439321 1.334026       1.382714  
1 1 1 -19 15 36 f 28.21565 0.7159704 7.957451       0.4023203 8.137751       0.6000518 7.810208       0.5422610 0.5761604      1.431941  
1 1 1 -19 15 37 o 64.60616 0.8327504 41.82132       1.075934  41.11228       1.513345  42.54604       1.529992  -1.108154      1.665501  
1 1 1 -19 15 38 o 51.12310 0.7516159 26.12651       0.7669138 27.01081       1.128217  25.36693       1.045644  1.600822       1.503232  
1 1 1 -19 15 39 o 37.56636 0.7309589 14.09502       0.5461826 12.14767       0.7512677 16.27822       0.7954631 -5.493855      1.461918  
1 1 1 -19 15 40 o 8.299580 1.740701  0.7141409      0.3097921 0.5928334      0.4894641 0.7952111      0.4001364 -0.8330355     3.481403  
1 1 1 -19 15 41 o 64.60294 0.8508624 41.62862       1.096320  38.79544       1.485219  45.02044       1.625061  -4.801926      1.701725  
1 1 1 -19 15 42 o 70.37254 0.8953335 49.64069       1.259037  50.49837       1.825186  48.86209       1.739033  1.152016       1.790667  
1 1 1 -19 15 43 f 31.88856 0.9201652 10.60423       0.5515095 8.926671       0.9139430 11.56492       0.6916273 -4.165314      1.840330  
1 1 1 -19 15 44 f 70.38026 1.239635  49.62603       1.736975  52.12287       2.606876  47.63243       2.329386  3.139297       2.479270  
1 1 1 -19 15 45 o 41.36346 1.007450  16.95779       0.8244570 18.72678       1.284221  15.71752       1.075314  3.603458       2.014900  
1 1 1 -19 15 46 o 55.35815 0.9803557 30.29949       1.043365  29.08427       1.294895  32.54879       1.761691  -3.049377      1.960711  
1 1 1 -19 15 47 o 42.26418 0.8743147 17.91853       0.7340862 18.03654       1.105586  17.82548       0.9817258 0.2305946      1.748629  
1 1 1 -19 15 48 f 38.64654 1.077694  15.08966       0.8274842 13.09885       1.169749  17.08382       1.170731  -5.155476      2.155388  
1 1 1 -19 15 49 f 6.486906 1.972654  -0.2837267E-01 0.4597151 -0.3263849     0.7572601 0.1455584      0.5785177 -0.2216692     3.945307  
1 1 1 -19 15 50 o 38.07669 1.074219  14.39143       0.8062557 15.77399       1.273350  13.46622       1.041665  2.978596       2.148439  
1 1 1 -19 15 51 o 23.79194 1.315863  5.606560       0.6113693 6.246298       0.9977053 5.221908       0.7736332 2.087244       2.631727  
1 1 1 -19 15 52 f 14.63951 1.961871  2.299046       0.5371130 2.013992       0.8844544 2.465591       0.6760505 -1.891504      3.923741  
1 1 1 -19 15 53 o 35.08134 1.144234  12.34253       0.7891034 12.82397       1.245920  12.02005       1.019691  1.082611       2.288468  
1 1 1 -19 15 54 o 21.80652 1.550084  4.889887       0.6432148 4.647548       1.076676  5.024375       0.8020757 -0.9668961     3.100169  
1 1 1 -19 15 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 16 1  o 22.55019 1.217883  5.077003       0.5481402 4.823954       0.7464603 5.373137       0.8075084 -1.214298      2.435767  
1 1 1 -19 16 2  o 38.88232 1.036070  15.13797       0.8054674 15.09316       1.125006  15.18509       1.153743  -0.1168671     2.072140  
1 1 1 -19 16 3  o 42.91908 1.024349  18.42747       0.8787270 19.36488       1.262824  17.54750       1.223523  2.115410       2.048698  
1 1 1 -19 16 4  o 80.23369 1.361026  64.06044       2.172496  60.27161       2.897716  68.92369       3.282968  -5.368401      2.722051  
1 1 1 -19 16 5  o 58.23271 1.124575  33.85609       1.307169  32.30122       1.781603  35.66908       1.923809  -2.884640      2.249149  
1 1 1 -19 16 6  o 95.64896 1.552889  91.69808       2.969200  93.74290       4.281137  89.80285       4.121573  2.048714       3.105779  
1 1 1 -19 16 7  o 58.98503 1.128837  34.84323       1.331589  35.44036       1.893870  34.25943       1.872611  0.9999924      2.257674  
1 1 1 -19 16 8  o 96.88330 1.568757  93.99640       3.035684  91.34222       4.165997  97.00119       4.432609  -2.902168      3.137514  
1 1 1 -19 16 9  o 34.00211 0.5637852 11.54457       0.3830423 10.99883       0.5287151 12.14743       0.5556990 -1.688351      1.127570  
1 1 1 -19 16 10 o 43.81434 0.6266311 19.20429       0.5490730 18.90965       0.7723425 19.50537       0.7807383 -0.6795845     1.253262  
1 1 1 -19 16 11 o 22.64633 0.5774468 5.076572       0.2578559 3.989199       0.3471082 6.415581       0.3851832 -5.356153      1.154894  
1 1 1 -19 16 12 o 20.50070 0.5864014 4.167385       0.2393405 4.633797       0.3595540 3.796277       0.3207218 2.041649       1.172803  
1 1 1 -19 16 13 o 126.9338 1.373949  160.8652       3.476708  154.0186       4.695213  169.1764       5.173063  -5.941284      2.747899  
1 1 1 -19 16 14 o 69.35881 0.8327769 48.02179       1.153056  50.16461       1.694746  46.17497       1.573347  2.871513       1.665554  
1 1 1 -19 16 15 f 159.3003 2.431439  255.3488       7.737434  248.8645       10.63783  262.6327       11.27470  -4.250839      4.862878  
1 1 1 -19 16 16 o 63.64616 0.7883153 40.49673       1.002771  39.38751       1.386941  41.71167       1.451529  -1.823490      1.576631  
1 1 1 -19 16 17 o 102.8601 1.141673  105.9134       2.347414  103.8844       3.256561  108.1079       3.386755  -2.046005      2.283346  
1 1 1 -19 16 18 o 89.61449 1.017575  80.07442       1.817920  76.35699       2.454631  84.59055       2.705492  -4.581566      2.035150  
1 1 1 -19 16 19 o 23.85041 0.6475481 5.700329       0.3081358 5.553048       0.4483238 5.832196       0.4242146 -0.5859814     1.295096  
1 1 1 -19 16 20 o 89.80174 1.028608  80.65524       1.845631  78.34999       2.543015  83.22095       2.682826  -2.704704      2.057215  
1 1 1 -19 16 21 o 123.6138 1.883262  153.5558       4.654675  151.3366       6.491681  155.9040       6.677668  -1.829002      3.766523  
1 1 1 -19 16 22 o 82.77375 0.9607563 68.46361       1.587802  71.03436       2.328778  66.23034       2.170545  2.893707       1.921513  
1 1 1 -19 16 23 o 12.03144 1.038667  1.523041       0.2376580 1.084676       0.3581489 1.867930       0.3176772 -3.257238      2.077335  
1 1 1 -19 16 24 o 9.722706 1.691137  0.9446481      0.3038853 0.8862557      0.3600838 1.089159       0.5664702 -1.007730      3.382274  
1 1 1 -19 16 25 o 35.79023 0.8708214 12.63776       0.5611179 12.40179       0.6593945 13.25716       1.068324  -1.174164      1.741643  
1 1 1 -19 16 26 o 13.42320 1.816176  1.852861       0.4726158 2.576866       0.6924745 1.221533       0.6466367 5.190636       3.632352  
1 1 1 -19 16 27 o 28.84657 1.083719  8.317076       0.6243391 8.817396       0.9125000 7.876696       0.8560944 1.626286       2.167438  
1 1 1 -19 16 28 f 91.17409 1.514262  83.50263       2.761184  84.10347       3.917244  82.90932       3.892680  0.6522675      3.028525  
1 1 1 -19 16 29 o 66.16737 1.220538  43.63073       1.608520  40.95828       2.158245  46.96996       2.412517  -4.520695      2.441075  
1 1 1 -19 16 30 o 28.51478 1.136374  8.071498       0.6447029 9.226993       0.9670218 7.146990       0.8649830 3.638288       2.272748  
1 1 1 -19 16 31 o 100.6025 1.635758  101.7304       3.288442  99.31271       4.539329  104.4004       4.770388  -2.497444      3.271516  
1 1 1 -19 16 32 o 66.85469 1.233069  44.84107       1.648334  45.84284       2.362535  43.89091       2.300879  1.453262       2.466137  
1 1 1 -19 16 33 o 28.58309 1.022972  8.162733       0.5521609 8.282256       0.9566970 8.103033       0.6761410 0.2872276      2.045944  
1 1 1 -19 16 34 o 42.29801 0.9168158 18.01491       0.6990575 17.74700       1.307625  18.12212       0.8271847 -0.4867172     1.833632  
1 1 1 -19 16 35 o 42.31791 0.9189810 16.74759       0.6729330 20.39512       1.408497  15.66874       0.7660139 5.523224       1.837962  
1 1 1 -19 16 36 o 51.89891 0.9566371 26.70156       0.8998981 27.74193       1.689992  26.28984       1.063158  1.335186       1.913274  
1 1 1 -19 16 37 o 39.41187 0.7939069 15.34656       0.6010945 16.33797       1.014959  14.81097       0.7459922 1.912704       1.587814  
1 1 1 -19 16 38 o 17.18457 1.104922  2.938285       0.3517583 3.037980       0.6349878 2.894146       0.4225108 0.3902016      2.209844  
1 1 1 -19 16 39 f 44.26373 1.040921  19.87388       0.8828781 18.94271       1.458883  20.41198       1.109014  -1.706394      2.081842  
1 1 1 -19 16 40 o 21.53422 1.629961  5.400844       0.5327821 3.588244       1.131911  5.916721       0.6038578 -5.508354      3.259923  
1 1 1 -19 16 41 o 16.14559 1.974372  2.934820       0.4933981 2.301676       1.057168  3.111141       0.5578859 -2.898834      3.948745  
1 1 1 -19 16 42 o 38.95612 1.225877  15.36890       0.8663570 15.03224       1.599547  15.50866       1.030618  -0.7105713     2.451753  
1 1 1 -19 16 43 o 19.05990 1.248799  3.533176       0.4662684 4.289937       0.7590551 3.074582       0.5908921 3.156651       2.497598  
1 1 1 -19 16 44 o 30.06170 0.9314028 9.433344       0.5330032 7.704155       0.8501468 10.55324       0.6841653 -4.763557      1.862806  
1 1 1 -19 16 45 f 35.30534 0.8787177 12.42122       0.5947469 12.83095       1.002149  12.19844       0.7389492 0.8554268      1.757435  
1 1 1 -19 16 46 o 42.77097 1.022201  18.96865       0.8317558 16.31986       1.352940  20.57802       1.054589  -5.030430      2.044403  
1 1 1 -19 16 47 o 25.70687 1.495133  0.000000       0.000000  ?              ?         6.647362       0.7687041 ?              ?         
1 1 1 -19 16 48 o 49.55133 1.474348  0.000000       0.000000  ?              ?         24.70336       1.461118  ?              ?         
1 1 1 -19 16 49 o 28.16870 2.279473  0.000000       0.000000  ?              ?         8.057327       1.284196  ?              ?         
1 1 1 -19 16 50 o 23.51819 2.946111  0.000000       0.000000  ?              ?         5.681724       1.385744  ?              ?         
1 1 1 -19 16 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 16 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 16 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 16 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 17 1  o 84.37212 1.422402  71.38713       2.399954  70.90137       3.364666  71.89022       3.424212  -0.5816727     2.844804  
1 1 1 -19 17 2  o 53.75174 1.111655  28.83663       1.192811  30.82790       1.752534  27.11809       1.628107  3.443928       2.223310  
1 1 1 -19 17 3  o 55.85120 1.122290  31.24244       1.253485  31.87531       1.785981  30.62806       1.759701  1.115120       2.244579  
1 1 1 -19 17 4  o 7.628798 2.032201  0.4191022      0.4245105 0.5229538      0.5974386 0.3132024      0.6033013 0.6989980      4.064401  
1 1 1 -19 17 5  o 81.27223 1.384312  65.79240       2.239262  62.08396       2.993944  70.50074       3.373514  -5.152679      2.768623  
1 1 1 -19 17 6  o 56.38865 1.121645  31.83856       1.264703  32.65931       1.808655  31.05330       1.769121  1.421917       2.243291  
1 1 1 -19 17 7  o 41.05834 1.032392  16.84241       0.8466333 18.06859       1.229336  15.73614       1.167683  2.837360       2.064784  
1 1 1 -19 17 8  o 145.3241 2.236575  212.5878       6.499864  214.8378       9.275505  210.4169       9.111092  1.503448       4.473150  
1 1 1 -19 17 9  o 104.7255 1.156393  109.3770       2.413369  104.3851       3.251310  115.5024       3.601537  -5.288445      2.312785  
1 1 1 -19 17 10 o 15.16444 0.5846413 2.311433       0.1764237 2.157754       0.2571154 2.448166       0.2425251 -0.9579496     1.169283  
1 1 1 -19 17 11 o 82.96541 0.9545802 68.63801       1.579079  65.55179       2.134392  72.36978       2.347032  -4.099098      1.909160  
1 1 1 -19 17 12 o 64.63232 0.8012896 41.81190       1.035749  42.08439       1.462195  41.53747       1.467359  0.4233017      1.602579  
1 1 1 -19 17 13 o 116.8389 1.276380  136.7627       2.981487  134.6943       4.148514  138.9724       4.287855  -1.821938      2.552760  
1 1 1 -19 17 14 o 48.00968 0.6769499 22.89815       0.6474143 24.98612       0.9697808 21.21944       0.8695604 3.919430       1.353900  
1 1 1 -19 17 15 o 75.98516 1.205332  57.77909       1.777939  57.52886       2.255234  58.18999       2.889957  -0.3961487     2.410664  
1 1 1 -19 17 16 f 79.57698 1.265069  63.41008       2.012115  61.74419       2.785208  65.22864       2.910017  -2.181122      2.530138  
1 1 1 -19 17 17 o 90.59804 1.417107  82.32710       2.567734  82.04295       3.627819  82.61233       3.634839  -0.3136978     2.834213  
1 1 1 -19 17 18 o 94.47104 1.066751  89.37528       2.015134  90.70040       2.885467  88.11367       2.815482  1.365036       2.133503  
1 1 1 -19 17 19 o 36.12287 0.6297590 13.06228       0.4547756 12.75300       0.6472922 13.36377       0.6390860 -0.8456917     1.259518  
1 1 1 -19 17 20 f 67.29097 0.8258913 45.18218       1.109213  43.13268       1.510568  47.58038       1.634025  -3.299171      1.651783  
1 1 1 -19 17 21 o 79.00130 0.9259768 62.30542       1.459720  65.25023       2.154456  59.80640       1.984689  3.436409       1.851954  
1 1 1 -19 17 22 o 29.62505 0.6331012 8.758440       0.3741131 9.095074       0.5534484 8.475199       0.5076632 1.044462       1.266202  
1 1 1 -19 17 23 f 84.50836 0.9782645 70.42462       1.634164  78.71831       2.558036  64.70609       2.124102  8.263283       1.956529  
1 1 1 -19 17 24 o 107.9257 1.197308  116.7933       2.584275  115.9563       3.632390  117.6512       3.677461  -0.7815247     2.394616  
1 1 1 -19 17 25 o 26.20671 0.6811104 6.686567       0.3520466 8.333629       0.5516968 5.555221       0.4572389 5.296431       1.362221  
1 1 1 -19 17 26 o 85.78134 0.9938213 73.70875       1.704614  74.57459       2.442847  72.88705       2.379767  0.9792404      1.987643  
1 1 1 -19 17 27 o 32.87176 0.6651797 10.62082       0.4330227 12.28531       0.6720328 9.439128       0.5662405 4.324091       1.330359  
1 1 1 -19 17 28 o 59.01708 0.7819838 34.84552       0.9224602 35.78506       1.332924  33.98191       1.277925  1.524261       1.563968  
1 1 1 -19 17 29 o 44.94054 0.6945564 20.21751       0.6241434 19.64764       0.8781207 20.79935       0.8872949 -1.280849      1.389113  
1 1 1 -19 17 30 o 17.27307 0.8720426 2.945766       0.2984446 3.306327       0.4622335 2.688003       0.3908250 1.784443       1.744085  
1 1 1 -19 17 31 o 86.87347 1.008975  75.63572       1.752419  76.92015       2.519827  74.43261       2.438752  1.424126       2.017951  
1 1 1 -19 17 32 f 63.43182 0.8177937 40.30643       1.037185  40.54669       1.486611  40.07857       1.447764  0.3658142      1.635587  
1 1 1 -19 17 33 o 39.42622 0.6982056 15.58023       0.5499792 15.19477       0.7898360 15.94303       0.7662750 -0.9506531     1.396411  
1 1 1 -19 17 34 o 24.76957 0.7499964 6.008637       0.3667051 7.024244       0.5784039 5.326048       0.4741853 3.419601       1.499993  
1 1 1 -19 17 35 o 40.67954 0.7099096 16.58167       0.5770445 15.70968       0.8137963 17.46344       0.8183511 -2.155209      1.419819  
1 1 1 -19 17 36 o 22.58551 0.9565198 5.303604       0.3986337 4.611185       0.6915792 5.648127       0.4878280 -2.318130      1.913040  
1 1 1 -19 17 37 o 20.76202 1.134291  4.461318       0.4559677 3.650481       0.6971113 5.067590       0.6027939 -3.426004      2.268582  
1 1 1 -19 17 38 o 40.95241 0.9604569 16.85046       0.7841401 16.54991       1.150315  17.11135       1.071734  -0.6955643     1.920914  
1 1 1 -19 17 39 o 6.430793 1.878356  0.4332031E-01  0.3836600 0.3695880      0.6427243 -0.1372929     0.4782033 2.306630       3.756712  
1 1 1 -19 17 40 o 44.16534 0.7556208 19.55870       0.6667293 19.36869       0.9628892 19.73370       0.9241017 -0.4174080     1.511242  
1 1 1 -19 17 41 o 48.35309 0.7678797 23.45375       0.7420322 22.57301       1.054454  24.31778       1.044402  -1.805325      1.535759  
1 1 1 -19 17 42 o 22.18691 0.9312634 5.017908       0.4043434 4.514102       0.6216111 5.387430       0.5323625 -1.980841      1.862527  
1 1 1 -19 17 43 o 19.70538 1.040843  4.149907       0.3848352 2.792369       0.5831982 5.196915       0.5121716 -6.113173      2.081687  
1 1 1 -19 17 44 o 45.58317 0.8060502 20.83793       0.7345620 21.67234       1.048884  20.03478       1.029054  1.793407       1.612100  
1 1 1 -19 17 45 o 29.80809 0.9274141 8.986163       0.5451694 8.516511       0.8315558 9.340191       0.7219765 -1.399639      1.854828  
1 1 1 -19 17 46 o 40.74299 1.054824  16.51272       0.8451914 17.69328       1.340836  15.73438       1.088724  2.353535       2.109649  
1 1 1 -19 17 47 o 14.35090 1.878904  2.123146       0.5071416 2.194717       0.8466652 2.083099       0.6333264 0.3248787E-01  3.757807  
1 1 1 -19 17 48 o 12.46962 2.034250  1.696046       0.4819238 1.469553       0.8149238 1.817855       0.5976251 -1.420675      4.068500  
1 1 1 -19 17 49 o 10.02011 2.173416  1.027041       0.4614381 1.043644       0.7880350 1.018378       0.5692323 0.3678608      4.346832  
1 1 1 -19 17 50 o 29.28549 1.204199  8.836074       0.6877381 7.666150       1.053560  9.704755       0.9078431 -3.519968      2.408397  
1 1 1 -19 17 51 o 41.64342 1.116016  17.48661       0.9165002 17.52806       1.420047  17.45702       1.199853  0.2485275E-01  2.232032  
1 1 1 -19 17 52 o 20.80848 1.525616  4.619821       0.5941584 3.673564       0.9711137 5.185974       0.7511600 -3.713078      3.051232  
1 1 1 -19 17 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 18 1  o 55.30242 1.134322  30.47796       1.251163  33.22393       1.851797  28.17155       1.697126  4.558170       2.268643  
1 1 1 -19 18 2  o 101.8127 1.649837  104.0982       3.359480  104.3546       4.751761  103.8420       4.750284  0.2516174      3.299674  
1 1 1 -19 18 3  o 41.14557 1.087160  16.97389       0.8934748 17.99182       1.264683  15.95955       1.262448  2.469482       2.174321  
1 1 1 -19 18 4  o 21.42588 1.899982  4.428921       0.7872489 6.435489       1.246421  3.097175       1.015427  7.766947       3.799963  
1 1 1 -19 18 5  o 86.37704 2.926651  0.000000       0.000000  ?              ?         75.09910       5.055910  ?              ?         
1 1 1 -19 18 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 18 7  f 103.5147 3.367935  0.000000       0.000000  ?              ?         108.0787       6.972617  ?              ?         
1 1 1 -19 18 8  o 10.62597 3.490873  0.000000       0.000000  ?              ?         1.091450       0.8574016 ?              ?         
1 1 1 -19 18 9  o 49.81053 0.6790543 24.80661       0.6761594 25.54857       0.9747075 24.11835       0.9387722 1.434349       1.358109  
1 1 1 -19 18 10 o 94.76532 1.065494  89.82207       2.017186  87.18987       2.774376  92.77415       2.938125  -2.936958      2.130987  
1 1 1 -19 18 11 o 60.10306 0.7599816 36.12776       0.9130957 37.02526       1.316803  35.29653       1.267247  1.436100       1.519963  
1 1 1 -19 18 12 o 139.7604 1.504852  195.9451       4.205230  198.6452       6.032147  193.3922       5.865539  1.865677       3.009705  
1 1 1 -19 18 13 o 65.95258 0.8084558 43.52334       1.066032  44.19870       1.531791  42.88904       1.484513  0.9907913      1.616912  
1 1 1 -19 18 14 o 123.1873 1.340810  152.0983       3.302020  154.7400       4.753458  149.6348       4.590335  2.060066       2.681620  
1 1 1 -19 18 15 o 44.61307 0.6599544 19.65623       0.5843676 22.07441       0.8966068 17.87046       0.7704966 4.706921       1.319909  
1 1 1 -19 18 16 o 64.65557 0.8013310 41.84006       1.036100  42.27734       1.478456  41.41804       1.452425  0.6633301      1.602662  
1 1 1 -19 18 17 f 47.28173 0.6819627 22.24790       0.6429750 20.72752       0.8696714 24.08088       0.9549008 -3.542755      1.363925  
1 1 1 -19 18 18 o 47.72911 0.6855883 22.78708       0.6542499 23.27641       0.9395952 22.32653       0.9115406 0.9939117      1.371177  
1 1 1 -19 18 19 o 45.01880 0.6714168 20.25343       0.6040707 19.30883       0.8367151 21.28176       0.8730102 -2.189686      1.342834  
1 1 1 -19 18 20 o 31.57283 0.6284918 9.910731       0.3953063 10.71113       0.5920311 9.266785       0.5310261 2.284765       1.256984  
1 1 1 -19 18 21 o 9.272516 1.256075  1.022436       0.2223468 0.3590402      0.3456528 1.490712       0.2904055 -5.856898      2.512149  
1 1 1 -19 18 22 o 54.39304 0.7359321 28.70214       0.7848886 34.34144       1.273054  25.24403       0.9969072 8.348347       1.471864  
1 1 1 -19 18 23 o 22.82426 0.6899715 5.180829       0.3135641 5.562138       0.4712461 4.877871       0.4200498 1.496513       1.379943  
1 1 1 -19 18 24 o 31.55081 0.6768878 9.775649       0.4198161 7.529652       0.5566561 12.73812       0.6393069 -8.250088      1.353776  
1 1 1 -19 18 25 f 31.81335 0.6580269 10.09742       0.4171430 10.49859       0.6217153 9.768945       0.5625679 1.143753       1.316054  
1 1 1 -19 18 26 o 29.51939 0.6766723 8.609144       0.3935428 6.725639       0.5271909 10.97972       0.5914411 -7.202057      1.353345  
1 1 1 -19 18 27 o 59.38037 0.7802907 35.26413       0.9257929 36.35782       1.345508  34.28082       1.275808  1.744297       1.560581  
1 1 1 -19 18 28 o 44.79929 0.7025517 20.02237       0.6283015 18.56846       0.8607000 21.68097       0.9192964 -3.470184      1.405103  
1 1 1 -19 18 29 o 37.80849 0.6757398 14.02384       0.5052526 16.33823       0.7897964 12.42052       0.6573642 5.172508       1.351480  
1 1 1 -19 18 30 o 51.88766 0.7410622 26.95472       0.7687487 27.34509       1.105369  26.58904       1.069850  0.7258720      1.482124  
1 1 1 -19 18 31 f 8.910165 1.560710  0.8205737      0.2741441 0.9056869      0.4259637 0.7603923      0.3581831 0.7732430      3.121420  
1 1 1 -19 18 32 o 56.84910 0.7791646 32.33996       0.8848478 33.11443       1.288767  31.64930       1.217039  1.282627       1.558329  
1 1 1 -19 18 33 o 40.22709 0.8225626 16.33963       0.6344244 15.77888       1.050913  16.66117       0.7957958 -1.120037      1.645125  
1 1 1 -19 18 34 f 50.69994 0.9920658 25.78283       1.004063  25.90478       1.467173  25.67541       1.377029  0.2155724      1.984132  
1 1 1 -19 18 35 o 25.28039 0.9548034 6.200532       0.4732635 7.518730       0.7678472 5.392987       0.6009912 4.184278       1.909607  
1 1 1 -19 18 36 o 14.91700 1.162607  2.236637       0.3466747 2.145085       0.4883518 2.329644       0.4922152 -0.6180258     2.325214  
1 1 1 -19 18 37 o 33.17133 0.7298999 11.05938       0.4818613 10.64404       0.7098145 11.41438       0.6562436 -1.166454      1.459800  
1 1 1 -19 18 38 o 42.11151 1.139555  17.55668       0.9520633 15.02152       1.265111  20.86744       1.445737  -6.912254      2.279111  
1 1 1 -19 18 39 o 32.44346 0.7434874 10.53932       0.4799736 10.65212       0.7175645 10.44799       0.6456820 0.3068085      1.486975  
1 1 1 -19 18 40 o 16.04890 1.207772  2.866080       0.3482219 1.638190       0.5367607 3.758432       0.4575821 -6.618513      2.415543  
1 1 1 -19 18 41 o 68.53008 0.8869525 47.14021       1.215500  46.56056       1.725414  47.71129       1.712612  -0.8414307     1.773905  
1 1 1 -19 18 42 o 26.33157 0.8331991 6.920149       0.4337415 7.196144       0.6715985 6.722657       0.5681133 0.8840160      1.666398  
1 1 1 -19 18 43 o 24.47845 0.8951986 5.922412       0.4347363 6.827392       0.6675161 5.255814       0.5728942 3.195168       1.790397  
1 1 1 -19 18 44 o 29.13101 0.9569409 8.472698       0.5555374 9.166965       0.8296728 7.908449       0.7479624 2.145899       1.913882  
1 1 1 -19 18 45 o 35.08390 1.026521  12.14985       0.7071282 13.55930       1.134936  11.25552       0.9040505 3.237083       2.053043  
1 1 1 -19 18 46 o 35.51109 1.042684  12.63332       0.7288517 12.99358       1.143383  12.38673       0.9459586 0.8132439      2.085368  
1 1 1 -19 18 47 f 23.27318 1.243294  5.418196       0.5578840 5.658325       0.9296486 5.283052       0.6974218 0.7426453      2.486588  
1 1 1 -19 18 48 o 22.73302 1.237856  5.055147       0.5471557 5.901930       0.9100235 4.575708       0.6847513 2.855373       2.475712  
1 1 1 -19 18 49 o 23.71178 1.275963  5.736104       0.5844596 5.465613       0.9469281 5.902563       0.7428374 -0.9808159     2.551926  
1 1 1 -19 18 50 o 44.04166 1.106845  19.57928       0.9660191 19.45718       1.466054  19.67297       1.284243  -0.2952576     2.213689  
1 1 1 -19 18 51 o 9.879899 2.270870  0.8429389      0.5048262 1.484465       0.8697156 0.5169678      0.6199540 3.875258       4.541739  
1 1 1 -19 18 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 19 1  o 87.53732 1.475387  76.90039       2.581517  75.58963       3.578742  78.32233       3.727427  -1.545906      2.950775  
1 1 1 -19 19 2  o 77.76837 1.360869  60.31762       2.106469  57.12988       2.817391  64.35840       3.172037  -4.615349      2.721738  
1 1 1 -19 19 3  o 99.94231 1.629191  100.3133       3.254814  98.67527       4.517250  102.0819       4.693831  -1.685638      3.258382  
1 1 1 -19 19 4  o 119.0334 1.883085  142.5773       4.482517  141.6288       6.285307  143.5591       6.394578  -0.7977676     3.766171  
1 1 1 -19 19 5  o 48.90643 1.097147  23.69554       1.065860  21.70503       1.410392  26.34611       1.627525  -4.729954      2.194294  
1 1 1 -19 19 6  o 59.38550 1.165578  35.20518       1.380482  33.51638       1.868949  37.23286       2.047893  -3.116215      2.331155  
1 1 1 -19 19 7  o 41.66416 1.057685  17.39591       0.8811601 17.58533       1.237672  17.20120       1.254802  0.4620934      2.115370  
1 1 1 -19 19 8  o 39.76035 0.6007872 15.80728       0.4775359 16.19333       0.6880642 15.44853       0.6632923 0.9356995      1.201574  
1 1 1 -19 19 9  f 47.21316 0.6541251 22.28609       0.6173224 22.94263       0.8914148 21.68107       0.8557299 1.334595       1.308250  
1 1 1 -19 19 10 o 61.52295 0.7687157 37.73492       0.9433770 39.98167       1.397557  35.85428       1.278634  3.348701       1.537431  
1 1 1 -19 19 11 o 49.19131 0.6808088 24.20712       0.6696500 24.84111       0.9583314 23.60219       0.9361156 1.258339       1.361618  
1 1 1 -19 19 12 o 32.67958 0.5994481 10.60264       0.3900881 9.405690       0.5273564 12.04891       0.5796848 -4.042156      1.198896  
1 1 1 -19 19 13 o 32.89087 0.6000104 10.81681       0.3943675 10.20883       0.5500923 11.45972       0.5656737 -1.900969      1.200021  
1 1 1 -19 19 14 o 114.3844 1.816798  131.3810       4.149297  127.2609       5.674120  136.1166       6.083200  -3.821533      3.633595  
1 1 1 -19 19 15 o 21.34577 0.6288713 4.548505       0.2673650 4.680221       0.3989879 4.441153       0.3602023 0.5583248      1.257743  
1 1 1 -19 19 16 o 62.66415 0.7886862 39.31324       0.9884087 38.87013       1.391385  39.76465       1.404347  -0.7130356     1.577372  
1 1 1 -19 19 17 f 105.8501 1.176064  112.3350       2.489471  113.3675       3.551775  111.3378       3.490315  0.9536743      2.352129  
1 1 1 -19 19 18 o 35.75891 0.6411420 12.54246       0.4538359 14.79149       0.7045814 10.94770       0.5933090 5.369579       1.282284  
1 1 1 -19 19 19 o 72.51588 0.8738727 52.38366       1.262519  55.77986       1.888690  49.64018       1.697514  4.221611       1.747745  
1 1 1 -19 19 20 o 66.17750 0.8233230 43.76769       1.088249  45.48690       1.589995  42.25254       1.492648  2.437958       1.646646  
1 1 1 -19 19 21 o 36.50051 0.6570787 13.10379       0.4751751 11.05635       0.6289238 15.82712       0.7253405 -6.530457      1.314157  
1 1 1 -19 19 22 o 107.1976 1.194676  115.2778       2.561273  115.7365       3.636793  114.8265       3.607755  0.4216919      2.389353  
1 1 1 -19 19 23 f 87.58447 1.011716  76.25621       1.761575  71.42742       2.340877  82.56131       2.674889  -6.328255      2.023432  
1 1 1 -19 19 24 o 70.71780 0.8659040 50.08876       1.224386  50.57014       1.754673  49.63194       1.709305  0.6600113      1.731808  
1 1 1 -19 19 25 o 12.36424 1.159745  1.691407       0.2537494 0.9985195      0.3825255 2.235900       0.3390981 -5.153429      2.319491  
1 1 1 -19 19 26 o 60.62326 0.7906325 36.78529       0.9581114 37.60869       1.382444  36.02424       1.329079  1.302872       1.581265  
1 1 1 -19 19 27 o 38.88053 0.6770206 15.04243       0.5239753 16.07220       0.7886611 14.22868       0.7010738 2.364864       1.354041  
1 1 1 -19 19 28 o 46.86393 0.7136528 21.88558       0.6665775 23.27574       0.9942825 20.75070       0.8983642 2.686920       1.427306  
1 1 1 -19 19 29 o 58.69982 0.9366778 34.33520       1.042884  35.21110       1.795345  33.88913       1.281204  1.075893       1.873356  
1 1 1 -19 19 30 o 51.65842 0.9820136 26.69218       1.011419  27.64579       1.500814  25.89874       1.368983  1.676884       1.964027  
1 1 1 -19 19 31 o 94.67215 1.504426  90.25952       2.847592  91.16874       4.088410  89.40286       3.968473  0.9120255      3.008852  
1 1 1 -19 19 32 o 30.83501 0.9044566 9.596646       0.5517862 7.961682       0.7784334 11.24776       0.7822678 -5.328072      1.808913  
1 1 1 -19 19 33 o 45.44776 0.7629192 20.69407       0.6927875 20.61480       0.9580197 20.78097       1.003028  -0.1784935     1.525838  
1 1 1 -19 19 34 f 68.73624 0.8690406 47.35229       1.194335  46.16580       1.664947  48.61005       1.714220  -1.772339      1.738081  
1 1 1 -19 19 35 o 22.66240 0.8123018 5.146852       0.3651774 5.164462       0.5532508 5.133255       0.4861156 0.6146812E-01  1.624604  
1 1 1 -19 19 36 o 54.84229 0.7823883 30.15334       0.8579652 29.91575       1.223570  30.38315       1.203374  -0.4283218     1.564777  
1 1 1 -19 19 37 o 14.11325 1.188738  2.057617       0.3229654 1.775634       0.5115877 2.244465       0.4164400 -1.677031      2.377476  
1 1 1 -19 19 38 o 46.10515 0.7530312 21.30453       0.6935019 21.35763       1.006848  21.25659       0.9566002 0.1040077      1.506062  
1 1 1 -19 19 39 o 33.19881 0.7596056 11.11711       0.5010302 10.27679       0.7338035 11.85100       0.6857612 -2.376610      1.519211  
1 1 1 -19 19 40 o 18.98552 0.9738320 3.615999       0.3633029 3.648552       0.5706806 3.593815       0.4710980 0.1275463      1.947664  
1 1 1 -19 19 41 o 31.89073 0.7871433 10.27117       0.4961455 8.429528       0.6989601 12.14151       0.7043827 -5.819096      1.574287  
1 1 1 -19 19 42 o 29.79666 0.9521126 8.919827       0.5667790 8.898611       0.8203530 8.939204       0.7839769 -0.7427406E-01 1.904225  
1 1 1 -19 19 43 o 33.77299 1.018983  11.31520       0.6785815 12.35890       1.069901  10.61280       0.8777063 2.548309       2.037966  
1 1 1 -19 19 44 o 19.75050 1.267602  3.743564       0.4855334 4.756245       0.8186589 3.194073       0.6030417 3.900263       2.535205  
1 1 1 -19 19 45 o 29.14912 1.088915  8.232625       0.6186866 10.01925       1.024998  7.208632       0.7759880 4.764805       2.177829  
1 1 1 -19 19 46 o 46.58639 1.055295  21.55814       0.9710572 23.69541       1.522187  20.09147       1.260966  3.806377       2.110590  
1 1 1 -19 19 47 o 9.549314 2.077287  0.9470721      0.4779162 0.2361787      0.7776627 1.378502       0.6058205 -3.677948      4.154574  
1 1 1 -19 19 48 o 27.66186 1.158267  7.694630       0.6294827 7.856481       0.9918642 7.585476       0.8145448 0.4415569      2.316533  
1 1 1 -19 19 49 o 13.85578 1.955179  1.906152       0.5047210 2.573063       0.8674862 1.564861       0.6205708 3.445313       3.910359  
1 1 1 -19 19 50 o 39.00372 1.464435  15.00715       0.9763469 16.28424       2.025553  14.62063       1.114344  1.815182       2.928870  
1 1 1 -19 20 1  f 21.18491 1.379141  4.491539       0.5832435 4.278667       0.7955638 4.738895       0.8575854 -1.079899      2.758282  
1 1 1 -19 20 2  o 105.5014 1.707188  111.9460       3.601841  113.4351       5.139073  110.5082       5.049648  1.376144       3.414376  
1 1 1 -19 20 3  o 22.79674 1.301115  5.212905       0.5930448 5.150619       0.8267562 5.278924       0.8511599 -0.2791557     2.602229  
1 1 1 -19 20 4  o 24.73255 1.229815  6.118296       0.6072280 5.863544       0.8288408 6.413452       0.8921502 -1.106230      2.459630  
1 1 1 -19 20 5  o 120.6919 1.909065  146.7180       4.608162  147.1491       6.520819  146.2879       6.513040  0.3557587      3.818131  
1 1 1 -19 20 6  o 69.35909 1.271371  47.64678       1.747810  43.94923       2.292881  52.77532       2.700360  -6.326279      2.542742  
1 1 1 -19 20 7  o 37.18090 1.095500  13.87530       0.8135314 14.51778       1.141284  13.21161       1.159957  1.757935       2.190999  
1 1 1 -19 20 8  o 107.1818 1.186836  114.0358       2.523295  106.7023       3.322849  124.0249       3.878108  -8.034752      2.373671  
1 1 1 -19 20 9  o 66.53595 0.8110906 44.31726       1.079190  44.99903       1.541582  43.66203       1.511281  1.002998       1.622181  
1 1 1 -19 20 10 o 63.29730 0.7876239 40.06130       0.9962244 38.88626       1.374343  41.36232       1.446146  -1.951935      1.575248  
1 1 1 -19 20 11 o 136.6124 1.476880  187.4046       4.034527  185.7726       5.645041  189.1087       5.768321  -1.208267      2.953759  
1 1 1 -19 20 12 o 64.83543 0.8040025 41.87462       1.038965  39.62440       1.400238  44.63103       1.549747  -3.852566      1.608005  
1 1 1 -19 20 13 o 45.38244 0.6678514 20.54944       0.6051655 19.47198       0.8274145 21.78879       0.8873972 -2.549706      1.335703  
1 1 1 -19 20 14 o 87.56290 1.005887  76.79141       1.760804  78.10433       2.535258  75.56793       2.447372  1.441956       2.011774  
1 1 1 -19 20 15 o 66.20119 0.8202853 43.57325       1.081071  40.76971       1.446504  47.12058       1.627113  -4.785694      1.640571  
1 1 1 -19 20 16 o 67.31774 0.8310513 45.36865       1.118600  44.73394       1.560592  46.03933       1.604188  -0.9668121     1.662103  
1 1 1 -19 20 17 o 68.22304 0.8424190 46.61628       1.149400  46.74745       1.633884  46.48776       1.617239  0.1892242      1.684838  
1 1 1 -19 20 18 o 41.54076 0.6636410 17.15439       0.5490772 18.58753       0.8236870 16.00824       0.7366135 3.099842       1.327282  
1 1 1 -19 20 19 o 76.08457 0.9108461 57.95233       1.385324  59.52015       1.998485  56.50215       1.922038  1.977539       1.821692  
1 1 1 -19 20 20 f 29.73583 0.6446918 8.632716       0.3781979 10.25672       0.5977952 7.548911       0.4883540 4.547110       1.289384  
1 1 1 -19 20 21 o 68.23706 0.8450946 46.43320       1.149596  49.19433       1.711532  44.16358       1.551737  3.674454       1.690189  
1 1 1 -19 20 22 o 60.94894 0.7933351 36.82081       0.9606953 33.99525       1.272547  40.56529       1.464932  -5.375957      1.586670  
1 1 1 -19 20 23 o 24.71143 0.6773832 6.131177       0.3337197 5.838837       0.4842319 6.395633       0.4605594 -1.128119      1.354766  
1 1 1 -19 20 24 o 80.76422 0.9554225 65.31049       1.541940  63.40181       2.127182  67.42384       2.238325  -2.479347      1.910845  
1 1 1 -19 20 25 o 52.91316 0.7430465 28.04556       0.7862020 27.91603       1.120903  28.17098       1.103027  -0.2422943     1.486093  
1 1 1 -19 20 26 o 106.5321 1.454943  113.5922       2.920601  116.0354       5.088934  112.3923       3.566420  1.480072       2.909886  
1 1 1 -19 20 27 o 69.86127 1.174251  48.96318       1.638811  49.95523       2.384686  48.07537       2.255929  1.329170       2.348502  
1 1 1 -19 20 28 o 101.9705 1.599275  104.7404       3.258985  106.8098       4.721012  102.8566       4.504416  1.899567       3.198551  
1 1 1 -19 20 29 o 31.55882 0.7706351 10.02122       0.4843353 10.79811       0.6741301 9.192353       0.6963157 2.546061       1.541270  
1 1 1 -19 20 30 o 87.97937 1.027940  77.65034       1.808071  78.93826       2.600190  76.44456       2.515889  1.406624       2.055879  
1 1 1 -19 20 31 o 21.79901 0.7955604 4.603189       0.3401426 5.617128       0.5510669 3.979128       0.4323268 3.744932       1.591121  
1 1 1 -19 20 32 o 66.49210 0.8497963 44.29589       1.129206  45.20557       1.635775  43.46774       1.560743  1.298286       1.699593  
1 1 1 -19 20 33 o 15.16829 1.091291  2.471788       0.3082103 1.577845       0.4631262 3.182451       0.4129301 -5.296312      2.182583  
1 1 1 -19 20 34 o 15.61797 1.021167  2.463671       0.3128194 2.372110       0.4880775 2.527503       0.4075257 -0.5088482     2.042335  
1 1 1 -19 20 35 o 71.69758 0.8984174 51.51962       1.287501  49.96730       1.783178  53.21024       1.860913  -2.251389      1.796835  
1 1 1 -19 20 36 o 25.94573 0.7891131 6.706341       0.4054416 7.044440       0.6248361 6.460463       0.5328492 1.114708       1.578226  
1 1 1 -19 20 37 o 8.750842 2.252628  0.3552600      0.5550408 1.274404       0.8772761 -0.2582490     0.7167291 4.853123       4.505256  
1 1 1 -19 20 38 f 32.10609 0.7704891 10.37051       0.4897434 8.560263       0.6834447 12.28114       0.7021370 -5.792240      1.540978  
1 1 1 -19 20 39 o 31.27531 0.7578044 9.752354       0.4695971 10.21359       0.7216095 9.413538       0.6184765 1.265289       1.515609  
1 1 1 -19 20 40 o 19.29598 1.057648  3.738003       0.4060864 3.243556       0.5614492 4.280432       0.5880604 -2.681812      2.115297  
1 1 1 -19 20 41 o 31.01859 0.9280803 9.664815       0.5755792 9.354995       0.8111706 9.978985       0.8168431 -1.004868      1.856161  
1 1 1 -19 20 42 o 23.93220 1.111197  5.508436       0.5190250 7.063587       0.8551657 4.601491       0.6530620 5.099878       2.222393  
1 1 1 -19 20 43 o 34.81759 1.017368  12.16339       0.6997918 12.38694       1.081571  12.00243       0.9177865 0.5188332      2.034736  
1 1 1 -19 20 44 o 53.07499 1.084447  28.18769       1.142229  29.83265       1.745680  26.95619       1.510444  2.653671       2.168895  
1 1 1 -19 20 45 o 25.29586 1.135199  6.127668       0.5574586 7.869721       0.9368130 5.172649       0.6936305 5.269974       2.270398  
1 1 1 -19 20 46 o 28.37021 1.128923  8.260999       0.6257492 7.301414       0.9601434 8.969518       0.8250308 -2.974192      2.257847  
1 1 1 -19 20 47 o 12.60761 1.987793  1.695012       0.4776550 1.670447       0.7770449 1.709932       0.6055806 -0.2642803     3.975585  
1 1 1 -19 20 48 o 12.53815 2.049768  1.720697       0.5029679 1.335681       0.8305517 1.943663       0.6320421 -2.554186      4.099536  
1 1 1 -19 20 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 21 1  o 40.18000 1.115168  16.19744       0.8953977 17.04892       1.271693  15.36029       1.260943  2.100296       2.230337  
1 1 1 -19 21 2  f 25.75510 1.292387  6.670256       0.6597979 7.860047       0.9494029 5.558839       0.9175999 4.463991       2.584773  
1 1 1 -19 21 3  o 33.02135 1.137040  10.95072       0.7481474 12.16045       1.066742  9.779660       1.049548  3.603283       2.274079  
1 1 1 -19 21 4  f 34.12787 1.142040  11.50834       0.7736211 10.01945       1.025516  13.47457       1.178498  -5.047359      2.284080  
1 1 1 -19 21 5  o 43.98567 1.106744  19.40866       0.9732894 19.94370       1.374286  18.87025       1.378602  1.220634       2.213488  
1 1 1 -19 21 6  o 72.48766 1.314636  52.73779       1.905534  53.99820       2.725114  51.53189       2.665537  1.694687       2.629272  
1 1 1 -19 21 7  o 74.60561 1.334756  55.47720       1.980274  52.24260       2.636231  59.66592       2.999953  -4.934822      2.669512  
1 1 1 -19 21 8  o 40.59778 1.088915  16.52777       0.8838547 16.53741       1.234308  16.51762       1.266221  0.2724075E-01  2.177830  
1 1 1 -19 21 9  o 56.60327 0.9667041 32.50872       1.002820  31.10238       1.810109  33.13152       1.204575  -1.839619      1.933408  
1 1 1 -19 21 10 o 46.74668 0.6692553 21.82444       0.6249449 20.80945       0.8585706 22.96819       0.9114048 -2.306038      1.338511  
1 1 1 -19 21 11 o 62.15069 0.7844018 38.64964       0.9745524 39.77583       1.405111  37.60571       1.352826  1.742432       1.568804  
1 1 1 -19 21 12 o 109.7174 1.214582  120.7801       2.664887  122.0551       3.805132  119.5528       3.733333  1.133041       2.429164  
1 1 1 -19 21 13 o 49.21085 0.7667670 24.45717       0.7473309 22.38804       1.107279  26.18827       1.012800  -3.867249      1.533534  
1 1 1 -19 21 14 o 27.25705 0.6174084 7.397896       0.3353472 7.873506       0.5009323 7.011648       0.4514269 1.578365       1.234817  
1 1 1 -19 21 15 o 91.95543 1.049450  84.67195       1.928067  82.39177       2.654887  87.21669       2.804671  -2.609840      2.098899  
1 1 1 -19 21 16 o 46.40417 0.6862118 21.23427       0.6314368 24.13318       0.9736366 19.12991       0.8295440 5.382198       1.372424  
1 1 1 -19 21 17 o 60.06470 0.7763103 36.07311       0.9314222 37.30127       1.358821  34.98459       1.279238  1.922863       1.552621  
1 1 1 -19 21 18 o 51.26517 0.7212954 26.27838       0.7388300 27.18216       1.074145  25.46684       1.017853  1.669178       1.442591  
1 1 1 -19 21 19 o 7.396518 1.253338  0.5957442      0.2173302 0.3639700E-01  0.3410730 0.9780879      0.2819899 -4.958909      2.506677  
1 1 1 -19 21 20 o 33.36604 0.6547067 11.15105       0.4365886 10.65106       0.6167341 11.65330       0.6181273 -1.501789      1.309413  
1 1 1 -19 21 21 o 12.90256 0.9653493 1.675134       0.2449809 1.636266       0.3804847 1.702658       0.3201783 -0.2632761     1.930699  
1 1 1 -19 21 22 o 21.12359 0.8619468 4.750718       0.3409152 3.472490       0.5402700 5.596400       0.4394509 -5.036001      1.723894  
1 1 1 -19 21 23 o 55.12320 0.9927925 30.42221       1.092354  31.28242       1.604590  29.67921       1.491271  1.442280       1.985585  
1 1 1 -19 21 24 o 28.07841 0.8360301 7.944610       0.4666730 7.372207       0.6822729 8.447854       0.6397300 -1.919291      1.672060  
1 1 1 -19 21 25 o 72.19757 1.200080  51.89571       1.720374  56.15675       2.629529  48.70679       2.274793  5.111267       2.400160  
1 1 1 -19 21 26 o 113.8648 1.538284  129.8683       3.297264  128.3204       4.021573  133.0430       5.759264  -1.764641      3.076567  
1 1 1 -19 21 27 o 91.88461 1.063071  84.67403       1.952045  86.71249       2.829129  82.82175       2.696839  2.100090       2.126143  
1 1 1 -19 21 28 o 45.79634 0.7194113 20.99811       0.6585612 20.03492       0.9196044 22.01211       0.9435497 -2.156506      1.438823  
1 1 1 -19 21 29 o 18.45217 0.9114052 3.539709       0.3242035 2.658062       0.4822901 4.266540       0.4379029 -4.363655      1.822810  
1 1 1 -19 21 30 o 26.42827 0.7637343 7.086820       0.3950557 5.382657       0.5556586 8.828723       0.5617779 -6.519041      1.527469  
1 1 1 -19 21 31 o 45.91782 0.7299732 21.10732       0.6699479 20.09724       0.9326154 22.18432       0.9630147 -2.269588      1.459946  
1 1 1 -19 21 32 o 11.23701 1.375901  1.250588       0.2962791 1.735342       0.4633230 0.9152308      0.3853688 3.790812       2.751803  
1 1 1 -19 21 33 o 31.55397 0.7351257 9.821997       0.4593891 11.10807       0.7132087 8.910084       0.6005652 3.470797       1.470251  
1 1 1 -19 21 34 o 35.39385 0.7319289 12.58807       0.5155853 11.10772       0.7263840 14.09116       0.7319434 -4.214043      1.463858  
1 1 1 -19 21 35 o 28.27675 0.7754061 8.117822       0.4329787 7.076157       0.6362408 9.016362       0.5909170 -3.436222      1.550812  
1 1 1 -19 21 36 o 33.16210 0.8997847 11.46265       0.5658233 9.542597       0.9167160 12.64431       0.7191595 -4.705908      1.799569  
1 1 1 -19 21 37 o 37.70116 0.7477919 14.27252       0.5620429 12.87587       0.7904884 15.70043       0.7992820 -3.744839      1.495584  
1 1 1 -19 21 38 o 49.78666 0.8921942 24.82475       0.8650473 24.62056       1.102055  25.15250       1.396202  -0.4881210     1.784388  
1 1 1 -19 21 39 o 33.84667 0.8671514 11.22390       0.5771357 10.08682       0.7385834 13.00691       0.9248683 -4.284279      1.734303  
1 1 1 -19 21 40 o 22.23219 1.156718  4.618681       0.4953519 6.711917       0.8403257 3.503981       0.6132219 7.163937       2.313436  
1 1 1 -19 21 41 o 64.64433 1.177433  42.10062       1.520058  42.39370       2.213720  41.83915       2.090907  0.4000778      2.354867  
1 1 1 -19 21 42 o 59.79675 1.134356  35.95929       1.351960  36.89618       2.007252  35.18134       1.829067  1.390892       2.268713  
1 1 1 -19 21 43 f 51.48112 1.075380  26.71714       1.103713  26.41873       1.621923  26.97451       1.506258  -0.5674438     2.150761  
1 1 1 -19 21 44 o 76.83372 1.333786  59.70990       2.049114  59.00261       2.918309  60.39774       2.877884  -0.9199371     2.667572  
1 1 1 -19 21 45 o 18.77707 1.430149  3.642404       0.5208486 3.255681       0.8185268 3.905536       0.6751802 -1.777975      2.860297  
1 1 1 -19 21 46 o 26.21895 1.186393  7.096418       0.6082024 5.820175       0.9015403 8.162421       0.8239440 -4.489498      2.372786  
1 1 1 -19 21 47 o 11.19672 1.969268  1.435149       0.4872662 0.4294919      0.8061392 2.014084       0.6116459 -5.761977      3.938537  
1 1 1 -19 21 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 22 1  o 15.11658 1.900097  2.375146       0.5551876 2.584582       0.7525176 2.124980       0.8224414 1.790625       3.800193  
1 1 1 -19 22 2  o 47.13916 1.142943  22.13255       1.073129  24.98183       1.595807  19.78039       1.449927  5.499985       2.285885  
1 1 1 -19 22 3  o 55.81653 1.170002  31.24190       1.305079  30.42676       1.802613  32.13983       1.891947  -1.523933      2.340003  
1 1 1 -19 22 4  o 20.43302 1.452342  4.209546       0.5909599 4.679879       0.8387757 3.745953       0.8327440 2.284456       2.904683  
1 1 1 -19 22 5  o 33.07346 1.168965  10.97283       0.7729568 10.67560       1.076010  11.28975       1.111086  -0.9243965     2.337930  
1 1 1 -19 22 6  f 36.61082 1.153345  13.23805       0.8374822 11.34922       1.109852  15.73576       1.276265  -5.971874      2.306690  
1 1 1 -19 22 7  o 63.65525 1.246442  40.66191       1.585698  39.89219       2.193356  41.50473       2.295137  -1.254189      2.492885  
1 1 1 -19 22 8  o 46.93241 0.6662226 21.90351       0.6227519 20.47028       0.8354208 23.69591       0.9342516 -3.430012      1.332445  
1 1 1 -19 22 9  o 64.67234 0.8078160 41.88669       1.044569  41.34502       1.456551  42.46028       1.498843  -0.8588867     1.615632  
1 1 1 -19 22 10 o 84.32860 0.9773322 70.84424       1.640624  75.90261       2.469317  66.84664       2.195187  5.343040       1.954664  
1 1 1 -19 22 11 o 18.02988 1.212743  3.056761       0.3106577 2.975116       0.3345672 3.567508       0.8368052 -1.585512      2.425487  
1 1 1 -19 22 12 f 103.6478 1.449691  109.2564       2.845178  111.9031       3.523303  104.2952       4.823773  3.855934       2.899382  
1 1 1 -19 22 13 o 73.47867 1.343213  54.26023       1.973700  55.46319       2.811903  53.09198       2.771013  1.607948       2.686426  
1 1 1 -19 22 14 o 29.48700 1.233276  8.742997       0.7263869 9.189264       1.022780  8.288814       1.031812  1.528004       2.466552  
1 1 1 -19 22 15 f 16.78735 1.793392  2.884075       0.5615527 4.165942       0.8383332 1.840807       0.7562982 7.120020       3.586785  
1 1 1 -19 22 16 o 9.008659 1.556730  1.120153       0.2443711 -0.6642848E-01 0.7063107 1.281506       0.2604566 -4.601264      3.113460  
1 1 1 -19 22 17 o 31.77152 0.7443799 9.726167       0.4477256 11.29078       0.7939495 8.996597       0.5421535 3.590782       1.488760  
1 1 1 -19 22 18 o 33.79830 0.6561567 11.44508       0.4432371 11.18328       0.6338845 11.69554       0.6200095 -0.7587738     1.312313  
1 1 1 -19 22 19 o 34.01124 0.7440141 11.70326       0.4945675 11.00576       0.7746136 12.18327       0.6425904 -1.741524      1.488028  
1 1 1 -19 22 20 o 30.97172 0.8004596 9.321325       0.4876482 11.32882       0.7804642 8.035696       0.6245732 5.302547       1.600919  
1 1 1 -19 22 21 o 21.07674 0.8624167 4.491673       0.3577825 4.213345       0.5476288 4.698947       0.4725866 -1.159271      1.724833  
1 1 1 -19 22 22 o 15.46643 0.9824826 2.457304       0.2912014 1.641011       0.4084429 3.301173       0.4152845 -5.366237      1.964965  
1 1 1 -19 22 23 f 52.27184 0.7470852 27.35430       0.7807240 26.58321       1.086052  28.17890       1.123101  -1.523022      1.494170  
1 1 1 -19 22 24 o 76.69498 0.9289540 58.91473       1.423408  60.75590       2.071660  57.26826       1.959061  2.260742       1.857908  
1 1 1 -19 22 25 o 38.29505 0.6939590 14.66040       0.5305593 13.48108       0.7338054 15.95223       0.7680113 -3.223423      1.387918  
1 1 1 -19 22 26 o 70.81544 0.8829611 50.11480       1.247155  52.64664       1.847831  47.99654       1.690182  3.264839       1.765922  
1 1 1 -19 22 27 o 86.27367 1.014649  74.53873       1.747754  71.71053       2.388137  77.80058       2.564692  -3.505280      2.029298  
1 1 1 -19 22 28 o 20.02491 0.8416860 4.101749       0.3303294 3.358691       0.4855005 4.742231       0.4507458 -3.458469      1.683372  
1 1 1 -19 22 29 f 49.31857 0.7432286 24.35049       0.7326447 23.23148       1.018813  25.54888       1.054332  -2.345722      1.486457  
1 1 1 -19 22 30 o 62.88599 0.8307055 39.64925       1.044670  38.89812       1.465073  40.42618       1.490016  -1.211937      1.661411  
1 1 1 -19 22 31 o 26.56889 0.7462237 7.010893       0.3943645 7.696688       0.5970817 6.480216       0.5252327 2.281418       1.492447  
1 1 1 -19 22 32 o 44.87341 0.7318855 20.15747       0.6557243 20.58949       0.9598393 19.77938       0.8979225 0.8958015      1.463771  
1 1 1 -19 22 33 o 43.76328 0.7362136 19.09217       0.6417510 20.35618       0.9617245 18.07754       0.8616464 2.591412       1.472427  
1 1 1 -19 22 34 o 27.64890 0.7635555 7.610785       0.4192203 8.114593       0.6394669 7.231056       0.5551648 1.586649       1.527111  
1 1 1 -19 22 35 o 20.50321 0.9067058 3.997947       0.3617053 5.521899       0.5928952 3.094526       0.4564967 5.897753       1.813412  
1 1 1 -19 22 36 o 11.81480 1.543097  1.475133       0.3505793 1.126004       0.5116143 1.784187       0.4813561 -2.976376      3.086194  
1 1 1 -19 22 37 o 42.31651 0.8606713 17.68747       0.7112533 16.72280       0.9019480 19.27381       1.156624  -2.974281      1.721343  
1 1 1 -19 22 38 o 42.65152 0.9274743 17.92647       0.7827022 15.92667       1.020067  20.78949       1.220526  -5.664703      1.854949  
1 1 1 -19 22 39 o 31.23365 1.012856  9.738000       0.6218840 10.20366       0.9837756 9.428078       0.8025821 1.205042       2.025712  
1 1 1 -19 22 40 o 42.88808 1.019311  18.58183       0.8707275 17.08867       1.251786  19.98152       1.211968  -3.381039      2.038621  
1 1 1 -19 22 41 o 13.67346 1.779172  2.017323       0.4480363 1.704820       0.7507948 2.190156       0.5583511 -2.084531      3.558345  
1 1 1 -19 22 42 o 39.13835 1.021061  15.51135       0.7941969 14.24105       1.157624  16.64089       1.091609  -3.080700      2.042123  
1 1 1 -19 22 43 o 21.93987 1.275158  4.965888       0.5385900 4.456496       0.8638839 5.289777       0.6888556 -1.949800      2.550315  
1 1 1 -19 22 44 f 11.65735 1.902921  1.600303       0.4722090 0.5000181      0.7716231 2.259081       0.5970660 -6.536369      3.805842  
1 1 1 -19 22 45 o 15.71005 1.787475  2.711224       0.5086799 2.090377       0.8329893 3.080429       0.6423644 -3.476904      3.574950  
1 1 1 -19 22 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 23 1  o 42.20941 1.175925  17.88719       0.9917883 18.98161       1.419196  16.84251       1.386573  2.529526       2.351850  
1 1 1 -19 23 2  o 90.04910 1.538128  81.68760       2.769894  82.78942       3.949255  80.62082       3.885956  1.193123       3.076257  
1 1 1 -19 23 3  o 48.02917 1.176914  23.14572       1.129828  24.29454       1.624692  22.06988       1.572234  2.309063       2.353828  
1 1 1 -19 23 4  o 59.25711 1.228525  35.24666       1.455264  36.70139       2.093329  33.88602       2.024504  2.366222       2.457049  
1 1 1 -19 23 5  o 41.68488 1.164181  17.30173       0.9657282 19.88891       1.436649  15.16895       1.304400  5.644619       2.328362  
1 1 1 -19 23 6  o 14.47214 2.035330  2.194484       0.5683435 1.953463       0.7944153 2.447186       0.8134404 -1.704801      4.070661  
1 1 1 -19 23 7  o 72.16637 0.8703999 51.89587       1.251022  49.05296       1.678615  55.44767       1.876265  -4.411827      1.740800  
1 1 1 -19 23 8  o 39.86064 0.6252512 15.86558       0.4976884 16.66815       0.7290570 15.16520       0.6810663 1.881992       1.250502  
1 1 1 -19 23 9  o 63.33858 0.7996565 40.12603       1.011832  41.64172       1.474521  38.77715       1.391019  2.254055       1.599313  
1 1 1 -19 23 10 o 38.74046 0.6330198 15.02705       0.4904283 14.77582       0.6924765 15.27987       0.6946695 -0.6503944     1.266040  
1 1 1 -19 23 11 o 71.32243 0.8705329 50.60880       1.235477  54.68456       1.865120  47.42213       1.649195  5.070633       1.741066  
1 1 1 -19 23 12 o 32.43987 0.9856133 10.40836       0.5816870 10.90933       1.087766  10.20773       0.6883803 1.038658       1.971227  
1 1 1 -19 23 13 f 87.38188 1.013306  76.50504       1.769298  78.84227       2.569349  74.39723       2.439991  2.528824       2.026613  
1 1 1 -19 23 14 o 22.27695 0.6473404 4.986682       0.2872152 4.731626       0.4190235 5.212707       0.3944560 -1.081564      1.294681  
1 1 1 -19 23 15 f 58.69944 0.8293244 34.32163       0.9589382 35.72409       1.504768  33.36262       1.244334  1.986786       1.658649  
1 1 1 -19 23 16 o 46.57345 0.8720505 21.50656       0.8054139 23.53191       1.240170  20.02924       1.059178  3.741993       1.744101  
1 1 1 -19 23 17 o 68.97325 1.140229  47.72202       1.571014  48.90577       2.288895  46.66764       2.160185  1.605095       2.280458  
1 1 1 -19 23 18 o 39.31998 0.8260375 15.43643       0.6474106 16.19921       0.9639533 14.80962       0.8738217 1.758038       1.652075  
1 1 1 -19 23 19 o 49.07742 0.8211556 24.10078       0.7863300 23.95390       1.005548  24.33199       1.261582  -0.3594284     1.642311  
1 1 1 -19 23 20 o 15.31079 1.585187  2.298563       0.3758424 2.232867       0.4177949 2.577285       0.8605558 -0.7881851     3.170373  
1 1 1 -19 23 21 o 44.14206 0.9631335 19.62973       0.7644219 19.73181       0.9029067 19.37138       1.436363  0.4729156      1.926267  
1 1 1 -19 23 22 o 77.95873 1.405806  61.07297       2.187604  58.92761       2.983339  63.56812       3.217378  -2.932678      2.811612  
1 1 1 -19 23 23 o 48.75756 1.173948  23.75160       1.141255  26.18652       1.690803  21.71388       1.546757  4.563812       2.347897  
1 1 1 -19 23 24 o 39.42964 1.172104  15.62743       0.9242587 15.78853       1.315749  15.47050       1.298618  0.4005547      2.344207  
1 1 1 -19 23 25 o 45.72054 1.156606  20.86818       1.053895  23.26231       1.564003  18.87692       1.426354  4.773968       2.313212  
1 1 1 -19 23 26 o 17.77125 1.824896  3.237695       0.6244782 2.573749       0.8579345 3.985850       0.9107183 -4.178082      3.649792  
1 1 1 -19 23 27 o 51.52874 1.212037  26.67060       1.247730  25.85682       1.716413  27.58256       1.816991  -1.656792      2.424073  
1 1 1 -19 23 28 o 48.26259 1.203847  23.39860       1.161134  22.52411       1.604841  24.35927       1.682063  -1.887596      2.407694  
1 1 1 -19 23 29 o 38.47962 1.167165  14.89313       0.8975396 14.87802       1.294755  14.90711       1.245313  -0.4647827E-01 2.334330  
1 1 1 -19 23 30 o 25.27936 1.382357  6.392038       0.6938974 6.878394       1.059729  6.027010       0.9180804 1.652714       2.764714  
1 1 1 -19 23 31 o 21.40955 1.305523  4.622726       0.5199875 4.616940       0.9231060 4.625415       0.6293336 -0.8374214E-01 2.611046  
1 1 1 -19 23 32 f 14.71172 1.923379  2.745647       0.4865819 1.192315       0.8653204 3.463923       0.5884241 -7.684147      3.846758  
1 1 1 -19 23 33 o 33.20004 1.082531  11.09458       0.6782851 11.06319       1.171175  11.11043       0.8320256 -0.1349258     2.165063  
1 1 1 -19 23 34 o 43.04585 1.305061  18.76548       1.116286  19.48245       1.513453  17.91008       1.653108  1.858738       2.610121  
1 1 1 -19 23 35 o 55.91043 2.430803  31.74342       2.718144  31.74342       2.718144  ?              ?         ?              ?         
1 1 1 -19 23 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 23 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 23 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 23 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 23 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 23 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 23 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 23 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 23 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 24 1  o 35.01440 1.229398  12.30323       0.8568783 14.03883       1.242486  10.72905       1.183297  4.716808       2.458795  
1 1 1 -19 24 2  o 50.57932 1.212121  25.57889       1.222689  28.20879       1.804546  23.34680       1.662466  4.783993       2.424242  
1 1 1 -19 24 3  o 55.80876 1.227641  31.31895       1.370033  31.46971       1.922701  31.16346       1.952686  0.2791023      2.455283  
1 1 1 -19 24 4  f 75.67090 1.390056  57.59614       2.102518  59.55720       3.036787  55.79065       2.913842  2.467056       2.780112  
1 1 1 -19 24 5  o 26.13247 1.413908  6.866742       0.7317053 8.241121       1.064665  5.636495       1.007292  4.973358       2.827816  
1 1 1 -19 24 6  o 24.86014 1.397714  6.198062       0.6926813 6.949055       1.012373  5.537014       0.9498152 2.829014       2.795428  
1 1 1 -19 24 7  o 36.85761 0.6111360 13.58280       0.4501451 14.12364       0.6525314 13.09174       0.6217835 1.397495       1.222272  
1 1 1 -19 24 8  o 53.01075 0.7213978 28.14700       0.7647275 28.50269       1.092825  27.80568       1.070497  0.6554108      1.442796  
1 1 1 -19 24 9  o 39.81079 0.6389538 15.84986       0.5083873 16.51797       0.7355284 15.23870       0.7034783 1.604122       1.277908  
1 1 1 -19 24 10 o 85.31474 0.9940811 72.88573       1.693579  75.74352       2.480091  70.38873       2.318256  3.118050       1.988162  
1 1 1 -19 24 11 o 61.04835 0.7899585 37.33821       0.9643302 36.60007       1.348131  38.11161       1.379964  -1.234814      1.579917  
1 1 1 -19 24 12 f 10.99817 0.9379050 1.119821       0.1973567 1.733532       0.3324111 0.7857237      0.2452621 4.298650       1.875810  
1 1 1 -19 24 13 o 40.02277 0.7905762 16.05666       0.6326553 15.61242       0.8937478 16.50280       0.8956746 -1.112148      1.581152  
1 1 1 -19 24 14 o 21.76676 0.7246559 4.629146       0.3113138 5.538578       0.4907084 4.016554       0.4027393 3.487938       1.449312  
1 1 1 -19 24 15 o 70.84193 1.021196  50.69472       1.411924  51.89102       1.820673  48.88981       2.236345  2.173439       2.042392  
1 1 1 -19 24 16 o 56.02941 0.7600226 31.43346       0.8511651 32.23265       1.229879  30.69880       1.179180  1.363678       1.520045  
1 1 1 -19 24 17 o 77.12584 0.9297089 59.66507       1.433867  60.44558       2.050064  58.91758       2.006234  0.9851303      1.859418  
1 1 1 -19 24 18 o 51.02740 0.7320480 26.09206       0.7470490 26.01591       1.061168  26.16688       1.051867  -0.1488457     1.464096  
1 1 1 -19 24 19 o 75.22244 0.9171489 56.72937       1.379216  58.03073       1.986265  55.51768       1.916612  1.661720       1.834298  
1 1 1 -19 24 20 o 33.81612 0.6800706 11.45613       0.4590745 10.53757       0.6428242 12.41223       0.6558298 -2.770630      1.360141  
1 1 1 -19 24 21 f 82.00771 0.9788648 67.40887       1.603825  69.56327       2.333560  65.48016       2.207952  2.472366       1.957730  
1 1 1 -19 24 22 f 29.81783 0.6917077 8.817433       0.4098461 9.704103       0.6244386 8.146393       0.5432292 2.604029       1.383415  
1 1 1 -19 24 23 o 13.53269 1.008121  1.825130       0.2698394 1.929303       0.4183148 1.750893       0.3531332 0.6496286      2.016242  
1 1 1 -19 24 24 o 72.25873 0.9019316 52.16774       1.299640  55.20485       1.929862  49.64729       1.758064  3.822914       1.803863  
1 1 1 -19 24 25 o 79.53825 0.9600683 63.49428       1.527058  62.67211       2.139312  64.34837       2.180449  -1.047897      1.920137  
1 1 1 -19 24 26 o 37.29689 0.7073139 13.61922       0.5211143 16.15651       0.8183600 11.88867       0.6758532 5.705921       1.414628  
1 1 1 -19 24 27 o 38.03761 0.7117404 14.51404       0.5409782 13.90431       0.7685713 15.11273       0.7615938 -1.589260      1.423481  
1 1 1 -19 24 28 o 12.12555 1.210114  1.491585       0.2879429 1.420756       0.4470805 1.541790       0.3764047 -0.5135956     2.420228  
1 1 1 -19 24 29 o 21.87408 0.8274078 4.736291       0.3581373 5.235258       0.5575013 4.385701       0.4673153 1.928812       1.654816  
1 1 1 -19 24 30 o 14.39692 1.100355  2.074947       0.3115864 2.141006       0.4904369 2.030236       0.4034809 0.3678694      2.200709  
1 1 1 -19 24 31 o 17.69680 0.9944226 3.154814       0.3510871 2.994233       0.5057988 3.304120       0.4877188 -0.8787289     1.988845  
1 1 1 -19 24 32 f 33.45467 0.8229896 11.15732       0.5462073 10.68540       0.7215157 11.79082       0.8359681 -1.634953      1.645979  
1 1 1 -19 24 33 o 33.69622 0.8732115 11.36896       0.5876357 10.75673       0.8058237 12.06431       0.8587873 -1.931419      1.746423  
1 1 1 -19 24 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 24 35 o 15.12727 1.539962  2.496409       0.4235338 1.804760       0.6642814 2.970154       0.5497708 -4.088305      3.079924  
1 1 1 -19 24 36 o 22.77703 1.086943  5.140652       0.4844057 5.626263       0.7837960 4.840541       0.6161681 1.685036       2.173886  
1 1 1 -19 24 37 o 7.216168 1.953489  0.3752190      0.3817370 0.3460317      0.6422750 0.3911611      0.4746758 0.5092773      3.906978  
1 1 1 -19 24 38 o 46.75634 1.016897  21.55725       0.9356982 24.46590       1.492545  19.67388       1.201017  5.058403       2.033794  
1 1 1 -19 24 39 o 7.632786 1.887349  0.4764398      0.4001057 -0.1841014     0.6528273 0.8738199      0.5063508 -3.006982      3.774697  
1 1 1 -19 24 40 o 36.66785 1.008189  13.38866       0.7291785 14.43129       1.146007  12.67942       0.9451926 2.338829       2.016377  
1 1 1 -19 24 41 o 34.58330 1.035482  12.17056       0.7085995 10.91556       1.044766  13.23967       0.9642871 -3.380737      2.070964  
1 1 1 -19 24 42 f 51.82170 1.414686  26.76093       1.291872  28.23115       2.543893  26.25000       1.499639  1.556778       2.829372  
1 1 1 -19 25 1  o 11.77441 2.432154  1.432148       0.6088544 1.234704       0.8272441 1.665522       0.8993713 -1.568218      4.864308  
1 1 1 -19 25 2  o 9.585930 2.369319  0.7719600      0.5779956 0.3641704      0.7921600 1.236227       0.8452376 -2.867854      4.738638  
1 1 1 -19 25 3  o 33.55788 1.272407  11.31585       0.8533375 10.86073       1.179878  11.81501       1.235656  -1.412003      2.544813  
1 1 1 -19 25 4  o 18.43469 1.792316  3.454239       0.6573315 3.837854       0.9263121 3.065117       0.9329376 2.097506       3.584632  
1 1 1 -19 25 5  o 30.58488 1.312357  9.415464       0.8027011 9.300302       1.126555  9.534226       1.144028  -0.3792706     2.624714  
1 1 1 -19 25 6  o 19.04635 0.5088669 3.638066       0.1933251 3.522898       0.2812077 3.741280       0.2662140 -0.5743332     1.017734  
1 1 1 -19 25 7  o 16.08081 0.5489234 2.587326       0.1754897 2.603595       0.2633243 2.574326       0.2353800 0.8890915E-01  1.097847  
1 1 1 -19 25 8  o 65.85739 0.8303210 43.48769       1.093653  43.39850       1.547092  43.57678       1.546226  -0.1354523     1.660642  
1 1 1 -19 25 9  o 41.55659 0.7783959 17.22296       0.6446226 18.30569       0.9624820 16.34222       0.8680775 2.352352       1.556792  
1 1 1 -19 25 10 o 42.63653 0.7962039 18.21782       0.6786169 18.39336       0.9770179 18.05420       0.9432892 0.3940544      1.592408  
1 1 1 -19 25 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 25 12 o 34.23662 0.6843473 11.69157       0.4652500 11.33627       0.6179039 12.15668       0.7069819 -1.189747      1.368695  
1 1 1 -19 25 13 o 41.51899 0.6700302 17.24035       0.5558968 16.35295       0.7694503 18.20924       0.8040009 -2.232262      1.340060  
1 1 1 -19 25 14 o 42.65344 0.6805515 18.00940       0.5768189 20.24352       0.8783798 16.31549       0.7648446 4.593746       1.361103  
1 1 1 -19 25 15 o 6.325251 1.288352  0.4118393      0.1940008 0.7318587E-01  0.3048747 0.6422704      0.2514862 -3.038058      2.576704  
1 1 1 -19 25 16 o 66.29066 0.8408045 43.89433       1.111785  46.43473       1.647239  41.76880       1.506742  3.502319       1.681609  
1 1 1 -19 25 17 o 44.12023 0.6965187 19.50173       0.6145622 19.25199       0.8625939 19.75917       0.8758008 -0.5734215     1.393037  
1 1 1 -19 25 18 o 59.24012 0.7936605 35.17893       0.9402343 35.62435       1.341507  34.74886       1.318184  0.7362289      1.587321  
1 1 1 -19 25 19 o 13.04118 0.9781259 1.737851       0.2493387 1.537782       0.3823851 1.885840       0.3288708 -1.342013      1.956252  
1 1 1 -19 25 20 o 66.42857 0.8480790 44.26012       1.126716  44.25052       1.597771  44.26962       1.589099  -0.1546478E-01 1.696158  
1 1 1 -19 25 21 o 44.13935 0.7117995 19.51411       0.6280409 18.64616       0.8778886 20.42400       0.8988503 -2.011639      1.423599  
1 1 1 -19 25 22 o 34.93009 0.6885798 12.24235       0.4803995 11.80347       0.6890685 12.65742       0.6701034 -1.224415      1.377160  
1 1 1 -19 25 23 o 63.69011 0.8369989 40.50573       1.062787  43.02301       1.581664  38.43356       1.435028  3.582878       1.673998  
1 1 1 -19 25 24 o 21.52892 0.7911179 4.663465       0.3378166 4.528919       0.5075810 4.770452       0.4526188 -0.5683346     1.582236  
1 1 1 -19 25 25 o 63.02657 0.8342115 39.59100       1.046521  42.54416       1.576461  37.26419       1.399330  4.162830       1.668423  
1 1 1 -19 25 26 o 67.28957 0.8694683 45.43648       1.169956  44.58017       1.638549  46.32710       1.671065  -1.293076      1.738937  
1 1 1 -19 25 27 o 38.43550 0.7248126 14.67248       0.5538063 16.06731       0.8415900 13.60717       0.7354898 3.186764       1.449625  
1 1 1 -19 25 28 o 39.47542 0.8078239 15.69386       0.6325909 16.14790       0.8495421 15.12881       0.9477270 1.304855       1.615648  
1 1 1 -19 25 29 o 74.89545 1.154037  56.62812       1.714789  57.72838       2.297614  55.24466       2.576419  1.716873       2.308074  
1 1 1 -19 25 30 o 30.40959 0.8556932 9.194873       0.5174072 10.69503       0.7721899 7.972577       0.6970190 4.464033       1.711386  
1 1 1 -19 25 31 o 45.97842 0.9678960 21.25447       0.8890386 19.95613       1.249328  22.58645       1.265407  -2.857300      1.935792  
1 1 1 -19 25 32 o 35.07734 0.9283622 12.20134       0.6422217 13.31300       1.011789  11.45125       0.8311111 2.620144       1.856724  
1 1 1 -19 25 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 25 34 o 61.16193 1.127152  37.63699       1.377159  35.25159       1.905125  40.24763       1.993041  -4.062119      2.254305  
1 1 1 -19 25 35 o 46.63112 1.000134  21.78536       0.9257360 22.62891       1.408880  21.14445       1.228047  1.551888       2.000267  
1 1 1 -19 25 36 o 38.63046 0.9775715 15.03668       0.7496265 14.82578       1.127022  15.20402       1.003893  -0.5167274     1.955143  
1 1 1 -19 25 37 o 19.61578 1.244940  3.818136       0.4706999 4.144590       0.7913454 3.639402       0.5855448 1.227427       2.489880  
1 1 1 -19 25 38 o 6.167401 1.844177  0.5632778E-01  0.3816302 -0.8099013E-02 0.6303855 0.9360061E-01  0.4794784 0.4996667      3.688354  
1 1 1 -19 25 39 o 49.75814 1.052680  24.94299       1.043455  25.03047       1.546907  24.86995       1.413445  0.1266861      2.105361  
1 1 1 -19 25 40 o 11.88631 2.365797  1.601476       0.5238069 0.7442285      1.325479  1.760129       0.5702216 -2.545664      4.731594  
1 1 1 -19 26 1  o 39.97489 1.266163  16.05048       1.010947  15.15434       1.388834  17.06043       1.474389  -2.367165      2.532326  
1 1 1 -19 26 2  o 22.55698 1.611693  5.176898       0.7224497 5.678462       1.003926  4.638178       1.040449  2.314888       3.223386  
1 1 1 -19 26 3  o 39.25399 1.242964  15.47648       0.9740340 14.97929       1.330049  16.05153       1.430403  -1.346878      2.485928  
1 1 1 -19 26 4  o 36.41943 1.294021  13.36799       0.9417173 13.67023       1.314289  13.04910       1.350008  0.8596611      2.588043  
1 1 1 -19 26 5  o 31.71637 1.983647  0.000000       0.000000  ?              ?         10.14262       1.258282  ?              ?         
1 1 1 -19 26 6  o 46.52481 0.8140574 21.69323       0.7571318 22.10051       1.090777  21.31454       1.051780  0.8399696      1.628115  
1 1 1 -19 26 7  o 51.78107 0.8873599 26.69373       0.9146553 24.84219       1.223162  29.04234       1.377602  -4.035393      1.774720  
1 1 1 -19 26 8  o 50.42897 0.8040772 25.58503       0.8035210 26.17571       1.073353  24.83200       1.211924  1.348694       1.608154  
1 1 1 -19 26 9  o 30.21392 0.6114322 9.123005       0.3689455 8.478659       0.5096391 9.832561       0.5348058 -2.238253      1.222864  
1 1 1 -19 26 10 o 73.28006 0.8942922 53.86763       1.310484  54.56929       1.872973  53.19469       1.834243  0.9327621      1.788584  
1 1 1 -19 26 11 o 49.45155 0.7131939 24.39616       0.7036753 22.88412       0.9558242 26.18542       1.039760  -3.328991      1.426388  
1 1 1 -19 26 12 o 41.69183 0.6695229 17.25709       0.5553063 18.96811       0.8399508 15.92857       0.7401301 3.635216       1.339046  
1 1 1 -19 26 13 f 22.11239 0.6643359 4.937358       0.2894313 3.931859       0.4064660 5.971576       0.4122301 -4.611588      1.328672  
1 1 1 -19 26 14 o 34.01508 0.6489796 11.59510       0.4411401 11.01346       0.6219040 12.18413       0.6258475 -1.720421      1.297959  
1 1 1 -19 26 15 o 8.382771 1.226279  0.8067139      0.2015710 0.3575584      0.3145306 1.119750       0.2625802 -4.362020      2.452558  
1 1 1 -19 26 16 o 42.97770 0.6896966 18.46166       0.5917699 19.30510       0.8691779 17.73287       0.8079504 1.822357       1.379393  
1 1 1 -19 26 17 o 62.61469 0.8185503 39.27037       1.023949  40.51324       1.490830  38.16048       1.408812  1.867733       1.637101  
1 1 1 -19 26 18 f 61.08833 0.8104899 37.40521       0.9896968 38.30224       1.428484  36.57713       1.372481  1.404327       1.620980  
1 1 1 -19 26 19 o 27.30310 0.6929488 7.474940       0.3771953 7.435067       0.5551981 7.509121       0.5140451 -0.1405277     1.385898  
1 1 1 -19 26 20 o 22.98582 0.7326376 5.310681       0.3346600 5.173258       0.4987747 5.423206       0.4513347 -0.5497665     1.465275  
1 1 1 -19 26 21 o 69.43706 0.8777915 48.39513       1.218962  47.79441       1.714248  49.00953       1.733661  -0.8719788     1.755583  
1 1 1 -19 26 22 f 35.49925 0.6966080 12.53923       0.4919266 13.50810       0.7438922 11.78629       0.6557860 2.414307       1.393216  
1 1 1 -19 26 23 o 31.82008 0.7420698 10.15787       0.4720150 10.36516       0.6616808 9.943084       0.6735373 0.6647816      1.484140  
1 1 1 -19 26 24 o 39.17843 0.7801452 15.48103       0.6075038 16.40159       0.8307710 14.42303       0.8906292 2.533356       1.560290  
1 1 1 -19 26 25 o 39.26647 0.7978124 15.32571       0.6181307 14.64344       0.8030055 16.31792       0.9683717 -2.108166      1.595625  
1 1 1 -19 26 26 o 40.25469 0.8405734 16.27552       0.6762969 16.66115       0.9471521 15.87442       0.9659824 0.9801750      1.681147  
1 1 1 -19 26 27 o 40.56297 0.9050853 16.56014       0.7328137 15.68113       1.049363  17.39687       1.023819  -2.119419      1.810171  
1 1 1 -19 26 28 o 27.66887 0.9167829 7.540112       0.4989819 8.514269       0.7968391 6.911698       0.6399984 2.867315       1.833566  
1 1 1 -19 26 29 o 8.759517 1.546057  0.8455875      0.3330936 -0.9806971E-01 0.5513706 1.387912       0.4179900 -5.936825      3.092113  
1 1 1 -19 26 30 o 18.97368 1.094859  3.504458       0.4030538 4.122681       0.6750690 3.161999       0.5024356 2.491041       2.189717  
1 1 1 -19 26 31 o 36.33590 0.9274457 13.24678       0.6682901 13.48722       1.017276  13.06423       0.8863943 0.5549393      1.854891  
1 1 1 -19 26 32 o 41.22702 1.990456  0.000000       0.000000  ?              ?         17.20657       1.641211  ?              ?         
1 1 1 -19 26 33 o 33.96557 0.9537772 11.64507       0.6428753 11.23796       0.9617177 11.97393       0.8643783 -1.104156      1.907554  
1 1 1 -19 26 34 o 18.04102 1.227571  3.302990       0.4302694 3.217833       0.6915187 3.356784       0.5496187 -0.4252281     2.455141  
1 1 1 -19 26 35 o 24.97082 1.030726  6.297845       0.5048688 6.194672       0.7920778 6.368444       0.6552187 -0.3823147     2.061452  
1 1 1 -19 26 36 o 14.10946 1.602929  2.045080       0.4198854 2.099648       0.7127806 2.016082       0.5196124 -0.9056091E-02 3.205857  
1 1 1 -19 26 37 o 31.86915 1.004453  10.30979       0.6335318 9.537375       0.9451178 10.94006       0.8537339 -2.222939      2.008907  
1 1 1 -19 26 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 27 1  o 30.55679 1.800887  9.121411       1.028940  10.52537       1.867169  8.509122       1.233061  3.098635       3.601773  
1 1 1 -19 27 2  f 64.68239 3.071208  0.000000       0.000000  ?              ?         42.82182       3.973061  ?              ?         
1 1 1 -19 27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 27 5  o 22.52938 2.460446  5.152157       1.108646  5.152157       1.108646  ?              ?         ?              ?         
1 1 1 -19 27 6  o 75.76578 0.9216874 57.62461       1.396097  56.89968       1.942601  58.39901       2.007771  -0.9788895     1.843375  
1 1 1 -19 27 7  o 42.28967 1.030696  17.63160       0.7025149 17.39802       0.7850878 18.57007       1.573662  -1.249237      2.061391  
1 1 1 -19 27 8  o 19.33604 1.845306  3.800315       0.7133746 3.941768       1.019794  3.664768       0.9982784 0.7093163      3.690611  
1 1 1 -19 27 9  f 32.60030 1.382818  10.50361       0.8882565 8.312251       1.172902  13.45056       1.360167  -7.835606      2.765636  
1 1 1 -19 27 10 o 42.71853 0.9977939 18.46556       0.7180929 18.10274       1.486552  18.57599       0.8201270 -0.6656876     1.995588  
1 1 1 -19 27 11 o 42.71096 0.6778820 18.17994       0.5771613 19.58409       0.8598657 17.02857       0.7786263 2.981953       1.355764  
1 1 1 -19 27 12 o 43.75069 0.6875730 19.16569       0.6013110 18.43544       0.8350545 19.95213       0.8665861 -1.729507      1.375146  
1 1 1 -19 27 13 o 26.16709 0.6493483 6.794838       0.3376136 7.437036       0.5145327 6.309304       0.4473921 2.147181       1.298697  
1 1 1 -19 27 14 o 61.44740 0.8156567 37.59790       0.9975497 35.12139       1.333045  40.74970       1.503844  -4.555214      1.631313  
1 1 1 -19 27 15 o 45.14756 0.7308772 20.35759       0.6572081 19.61722       0.8835881 21.27438       0.9832437 -1.822426      1.461754  
1 1 1 -19 27 16 o 40.88630 0.7091420 16.50409       0.5742968 15.01449       0.7511945 18.59937       0.8909209 -4.366459      1.418284  
1 1 1 -19 27 17 o 28.84208 0.7202872 8.296975       0.4140388 7.849277       0.5578257 8.846190       0.6178415 -1.720573      1.440574  
1 1 1 -19 27 18 o 21.96969 0.7628235 4.841053       0.3348156 5.143697       0.4769835 4.547089       0.4700932 1.356865       1.525647  
1 1 1 -19 27 19 o 29.03028 0.7390688 8.435912       0.4281839 8.234229       0.5838206 8.670677       0.6298870 -0.7455769     1.478138  
1 1 1 -19 27 20 o 8.274294 1.388440  0.7702924      0.2444035 0.2896898      0.3914783 1.077255       0.3128656 -4.148321      2.776880  
1 1 1 -19 27 21 o 37.85239 0.8072485 14.01961       0.6025336 12.29760       0.7767897 16.62065       0.9546800 -5.683365      1.614497  
1 1 1 -19 27 22 o 41.63883 0.8286052 17.41374       0.6894346 17.70745       0.9600954 17.10106       0.9906374 0.7330399      1.657210  
1 1 1 -19 27 23 o 42.16339 0.8890270 17.76499       0.7457604 18.70935       1.124247  17.02291       0.9965843 1.977455       1.778054  
1 1 1 -19 27 24 o 22.23437 0.9287524 4.966960       0.4065529 4.972070       0.6334146 4.963381       0.5301694 0.4920959E-03  1.857505  
1 1 1 -19 27 25 o 38.02362 0.8835945 14.50018       0.6680452 14.72504       1.003627  14.32129       0.8951659 0.5115776      1.767189  
1 1 1 -19 27 26 o 19.94079 1.005786  3.989378       0.3953170 4.064881       0.6160755 3.936532       0.5154194 0.3004646      2.011572  
1 1 1 -19 27 27 o 19.98160 1.019962  3.831425       0.3968421 4.896250       0.6599310 3.228270       0.4966771 4.136620       2.039923  
1 1 1 -19 27 28 o 24.13057 0.9654908 5.909608       0.4579387 5.545442       0.7040999 6.176586       0.6028669 -1.329308      1.930982  
1 1 1 -19 27 29 o 17.88153 1.143424  3.291655       0.3978672 2.874062       0.6149526 3.592309       0.5217932 -2.031452      2.286848  
1 1 1 -19 27 30 o 35.25940 0.9309298 12.56261       0.6525621 11.09662       0.9293660 13.98827       0.9164931 -4.103233      1.861860  
1 1 1 -19 27 31 f 24.82838 1.281467  0.000000       0.000000  ?              ?         6.197917       0.6363353 ?              ?         
1 1 1 -19 27 32 o 29.78276 0.9598314 8.756968       0.5640609 9.956855       0.8906367 7.953377       0.7288669 3.325399       1.919663  
1 1 1 -19 27 33 o 19.91714 1.191074  4.154448       0.4529822 3.419606       0.7187015 4.638757       0.5834625 -3.100000      2.382148  
1 1 1 -19 27 34 o 60.42921 1.121965  36.84969       1.354900  36.42581       1.949016  37.24611       1.884832  -0.6963387     2.243929  
1 1 1 -19 27 35 o 16.91839 2.042059  2.842113       0.5063551 3.247464       1.251883  2.762826       0.5536664 0.7558823      4.084118  
1 1 1 -19 28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 5  o 29.24067 0.6282931 8.510472       0.3659188 9.199985       0.5488319 7.958694       0.4909647 2.115717       1.256586  
1 1 1 -19 28 6  o 28.50515 0.6282715 8.002129       0.3550763 6.923633       0.4683591 9.459828       0.5445077 -4.439735      1.256543  
1 1 1 -19 28 7  o 27.04620 0.6319234 7.308533       0.3411730 6.721016       0.4694707 7.966070       0.4966595 -2.298523      1.263847  
1 1 1 -19 28 8  o 35.99615 0.7035628 12.85572       0.5032774 11.84403       0.6672264 14.19103       0.7665487 -3.247070      1.407126  
1 1 1 -19 28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 10 o 8.949277 1.138564  0.9004475      0.1870852 0.5345284      0.2916363 1.156337       0.2438795 -3.571539      2.277128  
1 1 1 -19 28 11 f 32.68413 0.7238432 10.67979       0.4718013 11.12032       0.6993427 10.31181       0.6391662 1.228680       1.447686  
1 1 1 -19 28 12 o 65.49933 1.084773  42.73815       1.409943  46.54859       2.163010  39.92290       1.859214  4.995514       2.169546  
1 1 1 -19 28 13 o 15.34781 0.8365968 2.378495       0.2524987 2.283303       0.3904144 2.446942       0.3310564 -0.5425072     1.673194  
1 1 1 -19 28 14 o 72.79530 1.185797  53.25486       1.722509  55.43850       2.540273  51.39626       2.343589  2.731461       2.371594  
1 1 1 -19 28 15 o 39.19473 1.174031  15.42069       0.9203160 15.42069       0.9203160 ?              ?         ?              ?         
1 1 1 -19 28 16 o 27.11804 1.140338  7.380563       0.6184750 7.380563       0.6184750 ?              ?         ?              ?         
1 1 1 -19 28 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 28 22 o 20.52340 1.260542  0.000000       0.000000  ?              ?         4.233037       0.5174122 ?              ?         
1 1 1 -19 28 23 o 28.91612 1.137436  0.000000       0.000000  ?              ?         8.395612       0.6578046 ?              ?         
1 1 1 -19 28 24 o 7.928024 2.236075  0.000000       0.000000  ?              ?         0.6558172      0.3698682 ?              ?         
1 1 1 -19 28 25 f 5.478020 1.781525  -0.1450489     0.3278548 -0.8594776     0.9113969 -0.3885729E-01 0.3513769 1.533747       3.563050  
1 1 1 -19 28 26 o 25.52450 1.340700  7.121390       0.5652292 5.629210       1.131031  7.618113       0.6525604 -4.029537      2.681400  
1 1 1 -19 28 27 o 33.06222 1.211484  11.32552       0.6996147 10.43237       1.349591  11.65374       0.8181249 -1.989841      2.422968  
1 1 1 -19 28 28 o 30.27142 1.236357  9.234594       0.6395361 9.304955       1.304772  9.212344       0.7337182 -0.1017380E-01 2.472715  
1 1 1 -19 28 29 o 49.11934 1.299793  25.18284       1.172644  22.38980       2.061984  26.51796       1.425626  -4.402298      2.599586  
1 1 1 -19 28 30 o 56.95766 1.423013  33.33792       1.460495  31.88757       2.707341  33.93324       1.734527  -2.131355      2.846026  
1 1 1 -19 28 31 f 21.47948 1.595527  4.286769       0.5248246 5.359499       1.303963  4.079402       0.5733114 2.704475       3.191053  
1 1 1 -19 28 32 o 26.87573 1.292969  0.000000       0.000000  ?              ?         7.265727       0.6949897 ?              ?         
1 1 1 -19 29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 29 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 29 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 29 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 29 5  o 15.92611 0.5890753 2.575788       0.1850113 2.153469       0.2676945 2.961980       0.2559887 -2.539773      1.178151  
1 1 1 -19 29 6  o 25.89026 0.6251149 6.693109       0.3226461 7.025514       0.4799004 6.418921       0.4358541 1.165627       1.250230  
1 1 1 -19 29 7  o 45.26604 0.8163437 20.45999       0.7369110 19.08649       0.9971673 22.11267       1.093826  -3.325989      1.632687  
1 1 1 -19 29 8  o 51.38403 0.8936391 26.49213       0.9177140 25.51928       1.269162  27.55816       1.328561  -1.972767      1.787278  
1 1 1 -19 29 9  f 84.61881 1.336332  71.92484       2.251337  67.98476       3.015189  76.88908       3.384451  -5.157181      2.672664  
1 1 1 -19 29 10 o 30.37331 0.7075149 9.261324       0.4293165 9.037791       0.6171583 9.470916       0.5976042 -0.7159386     1.415030  
1 1 1 -19 29 11 o 20.89934 0.7163798 4.250983       0.2949097 5.356029       0.4644590 3.504517       0.3817352 4.416922       1.432760  
1 1 1 -19 29 12 o 22.16638 0.7253420 4.876976       0.3184080 5.290750       0.4929529 4.580760       0.4170890 1.589584       1.450684  
1 1 1 -19 29 13 o 53.45951 0.9433498 28.20962       0.9953687 31.96111       1.569511  25.68564       1.287375  5.810913       1.886700  
1 1 1 -19 29 14 o 29.55230 0.7517247 8.783736       0.4429821 8.029318       0.6278921 9.531366       0.6250601 -2.541813      1.503449  
1 1 1 -19 29 15 o 23.99993 0.7593257 5.815925       0.3621933 5.336916       0.5277187 6.242516       0.4980088 -1.891689      1.518651  
1 1 1 -19 29 16 o 22.79701 0.7708030 5.194019       0.3485296 5.386211       0.5321606 5.049660       0.4612090 0.7259426      1.541606  
1 1 1 -19 29 17 o 14.76971 0.9926777 2.239415       0.2867097 1.921398       0.4337431 2.486197       0.3820886 -1.923214      1.985355  
1 1 1 -19 29 18 o 22.42592 0.8114059 4.967118       0.3598862 5.601666       0.5623007 4.526833       0.4683855 2.379585       1.622812  
1 1 1 -19 29 19 o 44.77577 0.8902262 20.14648       0.7965851 19.09083       1.118435  21.23331       1.134827  -2.389229      1.780452  
1 1 1 -19 29 20 o 12.58980 1.210155  1.539317       0.2986264 1.935550       0.4841095 1.295935       0.3794129 2.511859       2.420311  
1 1 1 -19 29 21 o 21.48992 0.9148713 4.735922       0.3850343 4.015750       0.5767783 5.314848       0.5171330 -3.034773      1.829743  
1 1 1 -19 29 22 o 32.97829 0.8423066 10.79456       0.5504285 11.87306       0.8510640 10.01905       0.7216848 2.785696       1.684613  
1 1 1 -19 29 23 f 10.77717 1.464889  1.120522       0.3040714 1.827812       0.4935824 0.6879097      0.3860208 5.333401       2.929778  
1 1 1 -19 29 24 o 40.58826 0.8951306 16.57306       0.7248024 16.45921       1.061430  16.67253       0.9921272 -0.2780113     1.790261  
1 1 1 -19 29 25 o 47.66155 0.9657447 22.60366       0.9150696 19.81475       1.223957  26.13815       1.377882  -6.596180      1.931489  
1 1 1 -19 29 26 o 30.72025 0.8819364 9.364758       0.5347522 10.23486       0.8401003 8.772075       0.6933590 2.348501       1.763873  
1 1 1 -19 29 27 o 53.23349 1.012939  28.54405       1.077439  28.41108       1.555680  28.66663       1.493670  -0.2553635     2.025877  
1 1 1 -19 29 28 o 24.58599 0.9963364 6.211835       0.4788993 5.317257       0.7243245 6.906606       0.6383291 -3.253067      1.992673  
1 1 1 -19 29 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 30 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 30 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 30 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 30 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 30 5  o 37.00980 0.7114633 13.72190       0.5259673 14.12839       0.7670770 13.36121       0.7225764 1.029221       1.422927  
1 1 1 -19 30 6  o 29.44449 0.6609318 8.683183       0.3884574 7.949986       0.5396580 9.471591       0.5596085 -2.580853      1.321864  
1 1 1 -19 30 7  o 73.16246 1.173939  53.87529       1.714454  55.96093       2.520272  52.07878       2.339065  2.604706       2.347878  
1 1 1 -19 30 8  o 20.80230 1.437943  4.356121       0.5982502 4.356121       0.5982502 ?              ?         ?              ?         
1 1 1 -19 30 9  o 54.58015 0.9405433 29.92916       1.026158  28.98885       1.423586  30.94616       1.480500  -1.780880      1.881087  
1 1 1 -19 30 10 o 47.42097 0.8616302 22.56616       0.8166594 21.62713       1.132268  23.58432       1.179011  -2.054447      1.723260  
1 1 1 -19 30 11 o 32.96630 0.7305234 10.88578       0.4803683 11.16123       0.7092850 10.65239       0.6528993 0.7623329      1.461047  
1 1 1 -19 30 12 o 10.38064 1.055935  1.092965       0.2132634 1.051442       0.3403445 1.119808       0.2736489 -0.3453264     2.111870  
1 1 1 -19 30 13 o 56.37353 0.9767163 31.82887       1.097153  33.65331       1.638594  30.34624       1.477150  2.896687       1.953433  
1 1 1 -19 30 14 f 26.99876 0.7402048 7.162818       0.3951147 8.386381       0.6182885 6.318226       0.5136907 3.812008       1.480410  
1 1 1 -19 30 15 f 42.43882 0.8351868 18.01891       0.7061377 18.91496       1.055173  17.29213       0.9502996 1.891308       1.670374  
1 1 1 -19 30 16 f 25.78506 0.7718609 6.721785       0.3948931 6.206616       0.5820450 7.161171       0.5375335 -1.859161      1.543722  
1 1 1 -19 30 17 o 24.27655 0.7978820 5.798553       0.3831255 6.789383       0.5981290 5.109180       0.4989102 3.441210       1.595764  
1 1 1 -19 30 18 o 36.92250 0.8208731 13.70979       0.6054183 12.94457       0.8572297 14.47130       0.8551556 -2.067905      1.641746  
1 1 1 -19 30 19 o 30.20171 0.8168854 9.187364       0.4904237 7.955047       0.6881109 10.45953       0.6991484 -4.144001      1.633771  
1 1 1 -19 30 20 o 40.37930 0.8627181 16.40446       0.6959030 16.06703       1.002456  16.71832       0.9668220 -0.8141861     1.725436  
1 1 1 -19 30 21 o 17.81295 0.9768310 3.242566       0.3402729 2.930441       0.5249398 3.468755       0.4468696 -1.529602      1.953662  
1 1 1 -19 30 22 f 10.46513 1.491154  1.273686       0.2992879 0.6042405      0.4717269 1.724706       0.3871958 -5.236728      2.982308  
1 1 1 -19 30 23 o 26.55342 0.8651404 6.993836       0.4533263 7.645722       0.7127513 6.550987       0.5874615 2.034657       1.730281  
1 1 1 -19 30 24 o 41.46708 1.230098  0.000000       0.000000  ?              ?         17.28833       1.020171  ?              ?         
1 1 1 -19 31 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 31 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 31 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 31 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 31 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 31 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 31 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 31 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 31 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -19 31 10 o 37.83821 1.056947  0.000000       0.000000  ?              ?         14.37276       0.7998595 ?              ?         
1 1 1 -19 31 11 o 34.25313 0.7452859 11.71525       0.5083756 12.42894       0.7626086 11.14441       0.6820252 1.860363       1.490572  
1 1 1 -19 31 12 o 14.96605 0.8447825 2.234698       0.2482478 2.334025       0.3939288 2.169268       0.3197234 0.5351734      1.689565  
1 1 1 -19 31 13 o 31.79675 0.7506500 9.962867       0.4720181 11.41818       0.7381402 8.956049       0.6139542 3.848902       1.501300  
1 1 1 -19 31 14 o 16.79736 0.8362797 2.829435       0.2772143 2.870124       0.4297652 2.800443       0.3627740 0.1937504      1.672559  
1 1 1 -19 31 15 o 33.61228 0.7740725 11.20727       0.5160963 12.40817       0.7942696 10.32975       0.6789608 3.069752       1.548145  
1 1 1 -19 31 16 o 30.65832 0.7813810 9.011162       0.4667614 11.46554       0.7745093 7.611347       0.5849124 6.248690       1.562762  
1 1 1 -19 31 17 o 16.44032 0.9450114 2.626758       0.3030187 3.143099       0.5005143 2.328003       0.3807197 2.450212       1.890023  
1 1 1 -19 31 18 o 21.12032 1.140661  0.000000       0.000000  ?              ?         4.481831       0.4818227 ?              ?         
1 1 1 -18 0  1  o 32.83573 0.7899819 10.80278       0.5170188 11.23878       0.7506804 10.40932       0.7131150 -0.000000      0.000000  
1 1 1 -18 0  2  o 312.4343 4.610446  979.8434       28.77993  985.1201       40.93880  974.6876       40.46724  -0.000000      0.000000  
1 1 1 -18 0  3  o 120.8445 1.839995  146.2934       4.442451  145.9591       6.270938  146.6302       6.294278  -0.000000      0.000000  
1 1 1 -18 0  4  o 33.33862 0.7878129 11.12516       0.5232936 11.69197       0.7647241 10.62603       0.7176178 -0.000000      0.000000  
1 1 1 -18 0  5  o 101.5381 1.576008  103.2771       3.197053  103.5474       4.529527  103.0087       4.513149  -0.000000      0.000000  
1 1 1 -18 0  6  o 104.5259 1.615239  109.4437       3.373063  109.1413       4.757320  109.7494       4.783248  -0.000000      0.000000  
1 1 1 -18 0  7  o 26.95974 0.7807159 7.299685       0.4192626 7.517931       0.6031938 7.095690       0.5831670 -0.000000      0.000000  
1 1 1 -18 0  8  o 146.5597 2.203624  215.1905       6.452379  216.5300       9.183963  213.8849       9.067240  -0.000000      0.000000  
1 1 1 -18 0  9  o 59.68019 1.044724  35.50296       1.241807  33.21700       1.681461  38.24577       1.841837  -0.000000      0.000000  
1 1 1 -18 0  10 o 84.05785 1.340178  70.77777       2.250468  70.51521       3.172081  71.04385       3.193311  -0.000000      0.000000  
1 1 1 -18 0  11 f 182.9434 2.727094  335.3879       9.967579  337.5820       14.19174  333.2518       14.00273  -0.000000      0.000000  
1 1 1 -18 0  12 o 34.83375 0.8196657 12.16226       0.5692976 12.75699       0.8192438 11.60689       0.7916802 -0.000000      0.000000  
1 1 1 -18 0  13 o 243.0236 3.596887  592.2838       17.46541  591.2495       24.64875  593.3268       24.75120  -0.000000      0.000000  
1 1 1 -18 0  14 f 94.17876 1.474556  88.81726       2.773572  90.12543       3.981637  87.58411       3.865775  -0.000000      0.000000  
1 1 1 -18 0  15 o 34.89501 0.8484460 12.18894       0.5896705 11.32037       0.8124137 13.15597       0.8572298 -0.000000      0.000000  
1 1 1 -18 0  16 o 28.61792 0.8361678 8.232329       0.4764320 8.229342       0.6606114 8.235568       0.6877615 -0.000000      0.000000  
1 1 1 -18 0  17 o 86.02170 1.374922  74.06358       2.361544  72.15884       3.275623  76.12508       3.407748  -0.000000      0.000000  
1 1 1 -18 0  18 f 146.7151 2.213122  215.6269       6.485991  213.0118       9.059855  218.3762       9.289610  -0.000000      0.000000  
1 1 1 -18 0  19 o 58.68557 1.033616  34.45638       1.210125  33.46465       1.664092  35.56943       1.762934  -0.000000      0.000000  
1 1 1 -18 0  20 o 128.9310 1.960051  166.5419       5.048747  167.5526       7.185549  165.5564       7.095317  -0.000000      0.000000  
1 1 1 -18 0  21 o 12.49057 1.460048  1.715282       0.3200658 2.100958       0.4498881 1.320018       0.4554457 -0.000000      0.000000  
1 1 1 -18 0  22 o 95.87552 1.505273  92.08029       2.883016  92.80288       4.106362  91.37788       4.048650  -0.000000      0.000000  
1 1 1 -18 0  23 o 7.080846 2.149632  0.7075081      0.3121720 0.6008897      0.4235568 0.8342956      0.4618847 -0.000000      0.000000  
1 1 1 -18 0  24 o 28.04278 0.8826725 7.911999       0.4926083 7.921314       0.6844775 7.901990       0.7095031 -0.000000      0.000000  
1 1 1 -18 0  25 o 115.1777 1.772373  132.9133       4.078248  133.7824       5.803007  132.0652       5.732663  -0.000000      0.000000  
1 1 1 -18 0  26 o 158.0429 2.377517  250.3650       7.506600  248.3116       10.52316  252.4925       10.71121  -0.000000      0.000000  
1 1 1 -18 0  27 o 193.3351 2.884814  374.9275       11.14260  372.2148       15.63062  377.7305       15.88859  -0.000000      0.000000  
1 1 1 -18 0  28 o 103.8233 1.623043  107.9340       3.364282  110.1595       4.865074  105.8945       4.657349  -0.000000      0.000000  
1 1 1 -18 0  29 o 62.19894 1.095366  38.74079       1.360045  37.86438       1.886983  39.68828       1.961998  -0.000000      0.000000  
1 1 1 -18 0  30 o 55.87505 1.030579  31.27325       1.149478  30.58883       1.598179  32.00676       1.654498  -0.000000      0.000000  
1 1 1 -18 0  31 o 54.41344 1.016448  29.67785       1.104415  29.40611       1.553536  29.95551       1.570357  -0.000000      0.000000  
1 1 1 -18 0  32 o 131.7097 2.011399  173.8727       5.290289  177.0518       7.626755  170.9246       7.344428  -0.000000      0.000000  
1 1 1 -18 0  33 f 64.69726 1.131788  41.91445       1.461448  43.04211       2.115799  40.88552       2.021055  -0.000000      0.000000  
1 1 1 -18 0  34 o 10.89394 1.788199  1.357991       0.3378348 1.060062       0.4622555 1.699570       0.4949607 -0.000000      0.000000  
1 1 1 -18 0  35 o 134.2821 2.050559  180.8833       5.499871  178.4571       7.671610  183.4489       7.888926  -0.000000      0.000000  
1 1 1 -18 0  36 o 33.32908 0.9118154 11.16314       0.6057099 10.88178       0.8534440 11.44870       0.8597977 -0.000000      0.000000  
1 1 1 -18 0  37 o 19.64194 1.036753  3.922637       0.4023713 3.700856       0.5622131 4.155524       0.5761197 -0.000000      0.000000  
1 1 1 -18 0  38 o 28.96510 0.9329711 8.432472       0.5373309 9.063954       0.7762513 7.851528       0.7445414 -0.000000      0.000000  
1 1 1 -18 0  39 o 11.68561 1.819949  1.561498       0.3678465 2.066082       0.5276502 1.084390       0.5130826 -0.000000      0.000000  
1 1 1 -18 0  40 o 57.57772 1.076652  33.20950       1.236839  34.21358       1.795085  32.30199       1.706577  -0.000000      0.000000  
1 1 1 -18 0  41 f 82.67372 2.767269  68.79444       4.564367  68.79444       4.564367  68.79444       4.564367  -0.000000      0.000000  
1 1 1 -18 0  42 o 38.29577 0.9660239 14.71983       0.7372165 13.90939       1.026313  15.58378       1.059649  -0.000000      0.000000  
1 1 1 -18 0  43 o 6.340724 2.251285  0.5540299      0.3713413 0.8494607      0.5374142 0.2840969      0.5136997 -0.000000      0.000000  
1 1 1 -18 0  44 o 29.76392 0.9844704 8.927316       0.5831453 8.875436       0.8324893 8.977297       0.8171096 -0.000000      0.000000  
1 1 1 -18 0  45 o 39.76408 0.9757941 15.88942       0.7737470 15.77415       1.105652  16.00006       1.083181  -0.000000      0.000000  
1 1 1 -18 0  46 o 20.15289 1.178498  4.145079       0.4677349 3.808058       0.6485067 4.510478       0.6752580 -0.000000      0.000000  
1 1 1 -18 0  47 o 27.95222 1.034239  7.887563       0.5745384 7.551886       0.8058820 8.234533       0.8193250 -0.000000      0.000000  
1 1 1 -18 0  48 o 28.01630 1.062538  7.936825       0.5910478 7.520089       0.8368557 8.351598       0.8348835 -0.000000      0.000000  
1 1 1 -18 0  49 o 62.52191 1.180475  39.25463       1.473500  38.21036       2.066568  40.33456       2.101560  -0.000000      0.000000  
1 1 1 -18 0  50 o 85.76411 1.445038  73.95643       2.475419  73.08186       3.484555  74.84747       3.517216  -0.000000      0.000000  
1 1 1 -18 0  51 o 65.22753 1.214904  42.71871       1.581411  43.71098       2.287486  41.81031       2.188689  -0.000000      0.000000  
1 1 1 -18 0  52 o 40.83940 1.539717  16.78978       1.253729  16.78978       1.253729  16.78978       1.253729  -0.000000      0.000000  
1 1 1 -18 0  53 o 6.768551 3.656973  0.6682094      0.6809517 0.6682094      0.6809517 0.6682094      0.6809517 -0.000000      0.000000  
1 1 1 -18 0  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 0  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 0  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 0  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 1  1  o 198.4884 2.947150  394.3642       11.68803  385.2064       16.10827  404.5465       16.98532  -4.849396      5.894301  
1 1 1 -18 1  2  o 144.8717 1.880648  211.2204       5.183391  206.2465       8.760307  213.8998       6.429688  -2.678085      3.761295  
1 1 1 -18 1  3  o 178.0397 2.652110  317.2858       9.438072  311.4860       13.08191  323.5816       13.62984  -3.384827      5.304220  
1 1 1 -18 1  4  o 169.7176 2.531900  288.3874       8.592182  291.9882       12.31058  284.9671       11.99782  2.061996       5.063800  
1 1 1 -18 1  5  o 139.8982 1.719869  195.1241       4.797219  204.6446       7.128465  187.2435       6.485596  6.210281       3.439737  
1 1 1 -18 1  6  o 149.9584 1.590177  224.9890       4.768938  223.6775       6.701636  226.3343       6.787781  -0.8847504     3.180355  
1 1 1 -18 1  7  o 117.8682 1.274395  137.2555       2.974861  127.4608       3.893250  150.9977       4.611550  -9.977089      2.548789  
1 1 1 -18 1  8  o 439.2285 4.571827  1937.325       40.14285  1907.895       55.76878  1968.968       57.82834  -6.877289      9.143655  
1 1 1 -18 1  9  o 81.98878 0.9243676 67.07207       1.512921  64.73470       2.064771  69.78186       2.223186  -3.076790      1.848735  
1 1 1 -18 1  10 o 202.1897 2.119726  407.7751       8.545834  391.7511       11.56050  427.0817       12.68952  -8.717697      4.239451  
1 1 1 -18 1  11 o 100.6253 1.102278  101.0429       2.214205  105.0450       3.253295  97.58920       3.022178  3.702652       2.204555  
1 1 1 -18 1  12 o 77.63025 0.8876417 59.61519       1.366693  55.48478       1.798160  65.26501       2.103045  -6.297005      1.775283  
1 1 1 -18 1  13 f 263.4077 2.747589  695.0790       14.47454  697.0624       20.53103  693.1188       20.40970  0.7457581      5.495178  
1 1 1 -18 1  14 f 147.0332 1.562569  215.2732       4.576533  205.4193       6.150591  227.4964       6.850173  -7.498077      3.125138  
1 1 1 -18 1  15 f 197.2809 2.070080  389.5685       8.166910  386.5793       11.45250  392.6613       11.64953  -1.537857      4.140159  
1 1 1 -18 1  16 o 166.0571 1.754361  275.3522       5.815571  266.5596       7.938756  285.5351       8.543407  -5.703995      3.508722  
1 1 1 -18 1  17 o 296.7859 3.092737  882.8541       18.35503  891.2186       26.22239  874.8186       25.70132  2.748199       6.185474  
1 1 1 -18 1  18 o 125.7830 1.351056  157.8052       3.390315  164.8625       5.011923  151.8516       4.603351  5.166763       2.702113  
1 1 1 -18 1  19 f 65.06078 0.7867171 42.22015       1.021578  44.07337       1.504315  40.63399       1.391706  2.642349       1.573434  
1 1 1 -18 1  20 o 196.4547 2.063074  386.3284       8.104494  390.5793       11.59645  382.2697       11.33113  2.109375       4.126147  
1 1 1 -18 1  21 o 101.7076 1.120962  102.4989       2.262850  96.03120       2.986776  111.2134       3.466947  -7.457993      2.241923  
1 1 1 -18 1  22 o 156.8315 1.662385  246.1710       5.214288  246.0957       7.371885  246.2463       7.376349  -0.4791260E-01 3.324771  
1 1 1 -18 1  23 o 126.5990 1.361971  160.1136       3.444130  155.5986       4.729789  165.2099       5.025083  -3.791397      2.723942  
1 1 1 -18 1  24 o 92.14311 1.030266  84.93258       1.898621  85.25610       2.691895  84.61234       2.678269  0.3491592      2.060531  
1 1 1 -18 1  25 o 230.3314 2.413276  531.0089       11.10558  518.3888       15.29551  545.0796       16.15069  -5.767441      4.826551  
1 1 1 -18 1  26 o 123.5755 1.333414  152.4093       3.288404  146.9770       4.476795  158.7750       4.846144  -4.766533      2.666828  
1 1 1 -18 1  27 o 44.56589 0.6486468 19.69652       0.5755956 18.02509       0.7715669 21.79407       0.8643402 -4.227604      1.297294  
1 1 1 -18 1  28 o 114.2935 1.244252  130.7166       2.844061  131.4669       4.045952  129.9836       3.998683  0.6479340      2.488503  
1 1 1 -18 1  29 o 83.72440 0.9558551 70.11111       1.600211  71.03189       2.292439  69.23610       2.234743  1.071434       1.911710  
1 1 1 -18 1  30 o 133.2542 1.433985  177.1383       3.810424  169.8652       5.156232  185.8892       5.655864  -5.997284      2.867969  
1 1 1 -18 1  31 o 52.56910 0.7036306 27.64418       0.7397805 27.52875       1.045889  27.75974       1.046527  -0.2196999     1.407261  
1 1 1 -18 1  32 o 32.43617 0.6277843 10.44054       0.4056056 11.73368       0.6043010 9.380355       0.5471705 3.626680       1.255569  
1 1 1 -18 1  33 o 137.0659 1.472910  188.2162       4.037656  187.6293       5.691758  188.8108       5.728636  -0.4293518     2.945820  
1 1 1 -18 1  34 o 50.99373 0.6985887 25.92689       0.7111731 24.52954       0.9708067 27.54524       1.044762  -2.955212      1.397177  
1 1 1 -18 1  35 o 81.93050 0.9464825 66.99248       1.547687  64.35289       2.107822  70.08037       2.279799  -3.489586      1.892965  
1 1 1 -18 1  36 o 37.51765 0.6411730 14.03799       0.4803402 13.14226       0.6586995 15.05527       0.7019708 -2.548321      1.282346  
1 1 1 -18 1  37 o 120.9954 1.317615  146.7038       3.188177  147.9720       4.548367  145.4787       4.470176  1.025696       2.635231  
1 1 1 -18 1  38 o 45.99342 0.6796052 21.14594       0.6248145 20.50465       0.8666350 21.84008       0.9016467 -1.450634      1.359210  
1 1 1 -18 1  39 o 71.88498 0.8659687 51.52020       1.241590  49.02602       1.681652  54.50905       1.840876  -3.806633      1.731937  
1 1 1 -18 1  40 o 24.90880 0.6973381 6.199265       0.3469307 6.671266       0.5007515 5.763573       0.4811061 1.821289       1.394676  
1 1 1 -18 1  41 o 16.54235 1.217962  2.740741       0.4016902 2.452892       0.5582526 3.049782       0.5784362 -1.802686      2.435923  
1 1 1 -18 1  42 o 27.65184 0.6977167 7.644656       0.3852993 8.247534       0.5544125 7.081467       0.5358525 2.107599       1.395433  
1 1 1 -18 1  43 o 44.87448 0.6960408 20.15365       0.6246310 20.35913       0.8908266 19.95492       0.8760814 0.4496574      1.392082  
1 1 1 -18 1  44 o 45.79458 0.7039803 20.90541       0.6433108 22.37995       0.9493021 19.65320       0.8748138 2.973064       1.407961  
1 1 1 -18 1  45 o 29.01266 0.7079113 8.424459       0.4106198 8.750308       0.5863124 8.110787       0.5752535 1.101473       1.415823  
1 1 1 -18 1  46 o 38.42265 0.8611856 15.30380       0.6319149 12.83079       1.010452  16.89221       0.8098133 -5.301208      1.722371  
1 1 1 -18 1  47 f 22.66200 0.9738922 5.124898       0.4181725 5.228430       0.7205700 5.072322       0.5134873 0.3236141      1.947784  
1 1 1 -18 1  48 o 54.72904 1.082995  29.95320       1.182638  31.61842       1.747239  28.54527       1.606603  2.790829       2.165990  
1 1 1 -18 1  49 o 59.36496 1.141310  35.39268       1.354546  35.57086       1.945153  35.22493       1.887388  0.2834473      2.282619  
1 1 1 -18 1  50 o 39.29723 1.010809  15.39219       0.7913381 16.76782       1.184711  14.28398       1.063343  3.144299       2.021618  
1 1 1 -18 1  51 f 62.32367 1.181220  38.95499       1.470501  37.02712       2.019820  41.12929       2.145026  -3.270874      2.362439  
1 1 1 -18 1  52 f 30.08799 0.9341885 8.847867       0.5343410 8.361838       0.6522862 9.839394       0.9316643 -2.417719      1.868377  
1 1 1 -18 1  53 f 35.28151 0.8017878 12.26824       0.5586393 11.22203       0.7238587 13.80910       0.8784693 -3.647663      1.603576  
1 1 1 -18 1  54 o 36.96164 0.7685553 13.69488       0.5680132 13.42794       0.7931133 13.97597       0.8138729 -0.7386322     1.537111  
1 1 1 -18 1  55 o 46.14326 0.7767923 21.26871       0.7153744 19.93039       0.9747453 22.83109       1.053186  -3.132393      1.553585  
1 1 1 -18 1  56 o 12.78247 1.663339  1.694096       0.4142846 1.800787       0.5704020 1.574979       0.6027055 1.115437       3.326678  
1 1 1 -18 1  57 f 13.16297 2.890254  1.836783       0.8432118 1.517111       1.323724  2.055069       1.093853  -1.339151      5.780509  
1 1 1 -18 1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 2  1  o 29.79890 0.5511977 8.807463       0.3271453 7.944820       0.4405347 9.868082       0.4884776 -3.226833      1.102395  
1 1 1 -18 2  2  o 152.9042 1.991400  232.9705       5.695788  231.0748       6.909278  236.9911       10.06227  -1.881256      3.982799  
1 1 1 -18 2  3  o 52.78636 0.9622625 27.68689       1.011611  25.96569       1.356703  29.84207       1.518139  -3.670444      1.924525  
1 1 1 -18 2  4  o 156.2574 2.342824  243.9480       7.308917  253.0821       10.72402  236.0248       9.987927  5.443726       4.685648  
1 1 1 -18 2  5  o 61.65958 1.058819  37.99139       1.304995  39.15442       1.884524  36.91986       1.808882  1.811352       2.117638  
1 1 1 -18 2  6  o 97.17456 1.322457  92.49763       2.353343  99.34280       4.377164  89.71450       2.791053  4.937294       2.644913  
1 1 1 -18 2  7  o 109.5224 1.286021  119.6792       2.777558  121.8741       4.321673  118.1344       3.625514  1.700058       2.572042  
1 1 1 -18 2  8  o 37.96156 0.8488978 14.17894       0.6388638 12.64753       0.8388348 16.29416       0.9858443 -4.802036      1.697796  
1 1 1 -18 2  9  o 271.3570 2.828910  737.0043       15.34038  754.1181       22.23765  721.4658       21.18944  5.992401       5.657821  
1 1 1 -18 2  10 o 85.08243 0.9545407 72.29710       1.622462  74.59200       2.363390  70.25151       2.231316  2.549721       1.909081  
1 1 1 -18 2  11 o 190.5650 2.002004  362.8240       7.618431  374.9415       11.15196  352.2202       10.43219  5.949600       4.004008  
1 1 1 -18 2  12 o 264.8431 2.762327  702.4926       14.62812  711.4697       20.96558  693.9768       20.41980  3.289795       5.524653  
1 1 1 -18 2  13 o 58.48613 0.7220084 33.46807       0.8328202 38.70463       1.318719  29.99389       1.074128  7.445328       1.444017  
1 1 1 -18 2  14 o 132.4366 1.414839  175.4210       3.746430  173.1191       5.223006  177.8606       5.376847  -1.788208      2.829678  
1 1 1 -18 2  15 f 44.53640 0.6258171 19.07385       0.5458962 23.94816       0.8879787 16.11249       0.6921363 8.795837       1.251634  
1 1 1 -18 2  16 o 128.5254 1.376927  165.0199       3.535048  170.0403       5.155208  160.5638       4.856754  3.682899       2.753855  
1 1 1 -18 2  17 o 66.78317 0.7958889 43.82878       1.050458  49.63732       1.647046  39.84600       1.363848  7.328590       1.591778  
1 1 1 -18 2  18 o 318.1365 3.314548  1014.341       21.07607  1034.872       30.46395  995.4929       29.18904  6.149078       6.629096  
1 1 1 -18 2  19 f 109.8091 1.195582  120.6043       2.625306  121.9187       3.752909  119.3447       3.673841  1.171074       2.391164  
1 1 1 -18 2  20 o 254.9775 2.662943  651.4656       13.57968  650.1491       19.15577  652.7956       19.25376  -0.5162964     5.325886  
1 1 1 -18 2  21 o 61.65553 0.7594358 37.99575       0.9360737 38.85406       1.347941  37.19627       1.300926  1.344021       1.518872  
1 1 1 -18 2  22 o 132.1395 1.416400  174.4058       3.737714  169.3292       5.121561  180.1907       5.467205  -4.104462      2.832800  
1 1 1 -18 2  23 o 117.2883 1.272900  137.3894       2.981503  133.3514       4.085122  141.9921       4.361387  -3.679489      2.545801  
1 1 1 -18 2  24 o 222.3994 2.330825  495.5326       10.36742  494.6807       14.63143  496.3917       14.69225  -0.3829651     4.661649  
1 1 1 -18 2  25 o 267.9974 2.802925  720.1596       15.02049  712.3132       20.99084  728.3934       21.50276  -2.981140      5.605850  
1 1 1 -18 2  26 o 176.3907 1.864013  310.7805       6.561499  300.1666       8.932571  323.2191       9.669953  -6.514297      3.728025  
1 1 1 -18 2  27 o 85.39793 0.9720914 72.49527       1.652315  68.52075       2.209660  77.53649       2.488581  -5.274368      1.944183  
1 1 1 -18 2  28 o 113.2844 1.237543  128.1966       2.799901  132.5499       4.093207  124.3683       3.838383  3.605797       2.475086  
1 1 1 -18 2  29 o 98.24459 1.094157  95.52794       2.132175  88.89838       2.806067  104.5846       3.279742  -7.973389      2.188314  
1 1 1 -18 2  30 o 63.94551 0.7859939 40.90135       1.005156  40.49473       1.412118  41.31898       1.431081  -0.6441727     1.571988  
1 1 1 -18 2  31 o 30.08516 0.6260340 8.976471       0.3746127 7.788981       0.5062871 10.41318       0.5568849 -4.360525      1.252068  
1 1 1 -18 2  32 o 65.48288 0.8020955 42.88886       1.050298  42.23494       1.469149  43.57243       1.502091  -1.020531      1.604191  
1 1 1 -18 2  33 o 42.86114 0.6468681 18.37483       0.5544354 18.53115       0.7918375 18.22448       0.7765658 0.3574448      1.293736  
1 1 1 -18 2  34 o 58.97260 0.7537512 34.53634       0.8850511 32.13576       1.185165  37.56292       1.330749  -4.597748      1.507502  
1 1 1 -18 2  35 o 105.7641 1.167964  111.9839       2.470049  110.5527       3.450417  113.4884       3.537566  -1.384186      2.335928  
1 1 1 -18 2  36 o 93.02701 1.049621  86.60378       1.952021  85.01395       2.712748  88.31087       2.811024  -1.767639      2.099242  
1 1 1 -18 2  37 o 167.7674 1.785851  282.5922       5.991857  281.0385       8.423958  284.1833       8.524467  -0.9291534     3.571702  
1 1 1 -18 2  38 o 47.81498 0.6895093 22.64354       0.6555924 25.12776       0.9942906 20.73284       0.8719956 4.591698       1.379019  
1 1 1 -18 2  39 o 43.69240 0.6717263 19.10357       0.5869495 19.04563       0.8340609 19.16041       0.8261396 -0.1316261     1.343453  
1 1 1 -18 2  40 f 49.53395 0.7120222 24.54266       0.7051162 24.99674       1.014318  24.11801       0.9808913 0.8856888      1.424044  
1 1 1 -18 2  41 o 25.06999 0.8576748 6.221243       0.4092330 6.523554       0.7031587 6.066398       0.5032414 0.9015942      1.715350  
1 1 1 -18 2  42 o 73.06473 1.254775  53.51709       1.832891  52.45522       2.549265  54.65344       2.637167  -1.496681      2.509550  
1 1 1 -18 2  43 o 26.22715 0.9970780 6.846962       0.5203664 7.899777       0.7679684 5.953272       0.7075565 3.706635       1.994156  
1 1 1 -18 2  44 o 24.40913 1.001197  5.969674       0.4886922 6.084867       0.6983785 5.859152       0.6840738 0.4612179      2.002393  
1 1 1 -18 2  45 o 28.90677 0.9839510 8.318119       0.5668909 9.227028       0.8423247 7.565588       0.7664462 2.867361       1.967902  
1 1 1 -18 2  46 o 35.00381 0.8535696 12.36627       0.5713934 12.59045       0.7141666 11.96750       0.9525006 0.9092407      1.707139  
1 1 1 -18 2  47 o 7.343936 1.787695  0.3530160      0.3247869 0.8029830E-01  0.4015151 0.8692397      0.5524135 -3.767161      3.575390  
1 1 1 -18 2  48 o 14.42138 1.100175  2.092897       0.3125609 1.644436       0.4324528 2.583398       0.4522685 -3.253059      2.200351  
1 1 1 -18 2  49 o 75.15340 0.9229664 56.63839       1.387170  56.14903       1.946792  57.14309       1.977068  -0.6579742     1.845933  
1 1 1 -18 2  50 o 41.47557 0.7308378 17.23359       0.6061864 17.01306       0.8505839 17.46119       0.8641307 -0.5389252     1.461676  
1 1 1 -18 2  51 o 31.42537 0.7540162 9.850181       0.4724163 8.840802       0.6456605 11.01316       0.6930491 -3.451504      1.508032  
1 1 1 -18 2  52 o 29.64442 0.7828208 8.796532       0.4634367 8.145259       0.6429275 9.500909       0.6686247 -2.283596      1.565642  
1 1 1 -18 2  53 o 12.87016 1.289696  1.668624       0.3318960 1.641187       0.4716613 1.695535       0.4671156 -0.2120323     2.579392  
1 1 1 -18 2  54 o 39.93888 0.7682728 15.99558       0.6134654 15.42526       0.8626538 16.57910       0.8725733 -1.443199      1.536546  
1 1 1 -18 2  55 o 14.72399 1.258911  2.197688       0.3672489 1.851088       0.5186000 2.546351       0.5201403 -2.360649      2.517823  
1 1 1 -18 2  56 o 28.00657 1.085960  7.779728       0.5962663 8.445539       0.9576579 7.358203       0.7619857 1.901785       2.171920  
1 1 1 -18 2  57 o 19.66680 3.959217  4.166370       1.502599  4.166370       1.502599  ?              ?         ?              ?         
1 1 1 -18 2  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 3  1  o 301.7641 3.143107  912.8134       18.96807  906.7775       26.62740  919.0316       27.02685  -2.019165      6.286214  
1 1 1 -18 3  2  o 65.58347 0.7738706 43.01786       1.015056  43.15134       1.438618  42.88554       1.432414  0.2026138      1.547741  
1 1 1 -18 3  3  o 70.65712 0.8177359 49.65207       1.151022  53.00446       1.723349  46.95224       1.546548  4.281548       1.635472  
1 1 1 -18 3  4  o 191.1544 2.006743  365.6940       7.670823  369.2139       10.96139  362.3157       10.73841  1.800522       4.013486  
1 1 1 -18 3  5  o 102.0181 1.366887  105.5463       2.680500  109.6121       3.391081  98.77522       4.376190  5.322479       2.733773  
1 1 1 -18 3  6  o 147.5903 2.220232  217.6840       6.543494  211.3559       8.959657  224.9174       9.579173  -4.582779      4.440463  
1 1 1 -18 3  7  o 178.7648 2.666886  320.1026       9.534786  319.5888       13.44601  320.6221       13.52277  -0.2872925     5.333772  
1 1 1 -18 3  8  o 109.9467 1.693157  120.9147       3.721910  119.1334       5.183911  122.8099       5.347028  -1.669624      3.386315  
1 1 1 -18 3  9  o 69.37724 1.008400  46.66441       1.269057  51.64563       2.415318  44.76485       1.491529  4.951248       2.016799  
1 1 1 -18 3  10 o 89.90755 1.420556  80.59775       2.547919  84.59795       3.769073  77.23129       3.457640  4.093056       2.841113  
1 1 1 -18 3  11 o 86.90379 0.9702455 75.45805       1.685029  77.51433       2.442587  73.59090       2.327554  2.256378       1.940491  
1 1 1 -18 3  12 f 100.5791 1.102585  101.0167       2.214957  104.4202       3.235236  98.01381       3.038827  3.182884       2.205169  
1 1 1 -18 3  13 o 100.3205 1.099587  100.6712       2.206206  100.9726       3.127607  100.3727       3.112541  0.2988815      2.199174  
1 1 1 -18 3  14 o 15.76319 0.6909595 2.484634       0.2178149 2.446897       0.3056673 2.523564       0.3104622 -0.2431555     1.381919  
1 1 1 -18 3  15 o 29.40092 0.5722412 8.570344       0.3350333 7.724517       0.4505079 9.616997       0.5011442 -3.218140      1.144482  
1 1 1 -18 3  16 o 18.37967 0.6570930 3.384229       0.2411052 3.580544       0.3386070 3.182326       0.3433918 1.083340       1.314186  
1 1 1 -18 3  17 o 193.6623 2.034051  375.2078       7.873810  368.4114       10.91503  382.5818       11.36936  -3.649841      4.068103  
1 1 1 -18 3  18 f 30.71957 0.5893521 9.403569       0.3613563 10.25609       0.5282087 8.653561       0.4954345 2.608135       1.178704  
1 1 1 -18 3  19 f 140.0772 1.493646  196.2279       4.182506  192.9045       5.808040  199.8077       6.028001  -2.460770      2.987291  
1 1 1 -18 3  20 o 131.8082 1.412245  173.7964       3.722173  175.7610       5.327745  171.9231       5.202388  1.454010       2.824490  
1 1 1 -18 3  21 o 188.7762 1.987629  356.1481       7.492883  345.7760       10.26238  367.9906       10.96561  -5.868668      3.975257  
1 1 1 -18 3  22 f 267.1110 2.789108  715.2407       14.89996  716.5316       21.11128  713.9595       21.03238  0.4790039      5.578216  
1 1 1 -18 3  23 o 138.9885 1.485671  193.1317       4.126520  197.7874       5.981095  188.9024       5.700568  3.191422       2.971341  
1 1 1 -18 3  24 o 150.4290 1.600528  226.4927       4.815295  226.8870       6.821969  226.1011       6.797806  0.2607422      3.201056  
1 1 1 -18 3  25 o 222.0923 2.328326  494.2795       10.34185  492.4995       14.56996  496.0869       14.68186  -0.8040466     4.656651  
1 1 1 -18 3  26 o 55.45354 0.7213941 30.73785       0.7996941 31.37609       1.152765  30.14576       1.110306  1.108864       1.442788  
1 1 1 -18 3  27 o 172.2622 1.822686  296.1703       6.261425  284.6072       8.477498  310.0497       9.287868  -7.361008      3.645373  
1 1 1 -18 3  28 o 51.39196 0.6953025 25.97916       0.7079689 23.28777       0.9270701 29.74474       1.096580  -6.280037      1.390605  
1 1 1 -18 3  29 o 97.79092 1.086711  95.63873       2.124459  93.93137       2.951593  97.47406       3.060227  -1.809013      2.173421  
1 1 1 -18 3  30 o 52.69987 0.7089429 27.69863       0.7459384 29.20367       1.094908  26.39501       1.019009  2.663563       1.417886  
1 1 1 -18 3  31 o 99.13214 1.101604  98.35390       2.184080  98.57031       3.093834  98.13889       3.083700  0.2173233      2.203208  
1 1 1 -18 3  32 o 54.94241 0.7207371 29.90499       0.7872289 32.88461       1.196131  27.62810       1.045609  4.780609       1.441474  
1 1 1 -18 3  33 o 120.8502 1.312404  146.1781       3.170374  149.0713       4.574740  143.5045       4.397672  2.295776       2.624808  
1 1 1 -18 3  34 f 80.17633 0.9304615 64.31563       1.491671  65.22578       2.137727  63.45195       2.082441  1.104469       1.860923  
1 1 1 -18 3  35 o 129.5674 1.401518  168.2090       3.631549  166.8709       5.098097  169.5874       5.174323  -1.044327      2.803036  
1 1 1 -18 3  36 o 49.09101 0.8442073 23.81350       0.7765117 24.99191       1.377546  23.26468       0.9401038 1.743309       1.688415  
1 1 1 -18 3  37 o 32.90345 0.8940486 10.52405       0.5796899 13.22232       0.9112396 8.689739       0.7513208 6.881161       1.788097  
1 1 1 -18 3  38 o 20.80974 0.9850553 4.320877       0.4092388 4.658339       0.5991522 4.025760       0.5603013 1.518034       1.970111  
1 1 1 -18 3  39 o 71.22791 1.207894  50.57595       1.714808  47.74967       2.311088  54.03800       2.557853  -4.398430      2.415789  
1 1 1 -18 3  40 o 57.51070 1.064140  33.00644       1.221441  31.15449       1.663370  35.17366       1.799395  -3.486244      2.128279  
1 1 1 -18 3  41 f 49.77373 0.8713704 23.71459       0.7982697 22.17168       0.9438400 27.59156       1.496145  -5.415028      1.742741  
1 1 1 -18 3  42 f 24.02054 1.286668  6.096205       0.5801947 6.936867       0.7387662 4.743161       0.9372428 4.583456       2.573335  
1 1 1 -18 3  43 o 52.30923 0.7336203 27.38289       0.7673626 26.89140       1.072866  27.89768       1.098000  -0.9605484     1.467241  
1 1 1 -18 3  44 o 54.48418 0.7506758 29.52213       0.8147579 32.00797       1.220520  27.52394       1.094274  4.107292       1.501352  
1 1 1 -18 3  45 o 28.63211 0.7127367 8.208768       0.4081117 8.095048       0.5773479 8.322338       0.5769665 -0.3969383     1.425473  
1 1 1 -18 3  46 o 45.61595 0.7137834 20.83310       0.6511220 20.44294       0.9131932 21.23658       0.9286525 -0.8688164     1.427567  
1 1 1 -18 3  47 o 37.12321 0.7016053 13.80073       0.5208924 13.61331       0.7338828 13.99101       0.7394549 -0.5083046     1.403211  
1 1 1 -18 3  48 o 41.84835 0.7156072 17.45288       0.5974183 18.95790       0.8825796 16.18012       0.8116273 3.313126       1.431214  
1 1 1 -18 3  49 o 47.02425 0.7408339 22.15378       0.6967246 21.95596       0.9813598 22.35482       0.9893233 -0.4233780     1.481668  
1 1 1 -18 3  50 o 27.28566 0.7808350 7.460997       0.4258716 7.123031       0.5978676 7.809111       0.6067782 -1.256292      1.561670  
1 1 1 -18 3  51 o 52.29042 0.7757136 27.36824       0.8106474 26.37293       1.120666  28.46064       1.174054  -1.990574      1.551427  
1 1 1 -18 3  52 o 33.49677 0.7443882 11.24593       0.4986882 11.26651       0.7068768 11.22554       0.7036375 0.6081009E-01  1.488776  
1 1 1 -18 3  53 o 24.07160 0.8369533 5.811396       0.4027003 5.835370       0.5800499 5.789090       0.5595136 0.9346390E-01  1.673907  
1 1 1 -18 3  54 o 16.23065 1.088811  2.648583       0.3517365 2.312231       0.4887369 3.009979       0.5066054 -2.146104      2.177622  
1 1 1 -18 3  55 o 48.46020 0.7980586 23.55915       0.7734458 23.28080       1.093126  23.83822       1.094510  -0.5749512     1.596117  
1 1 1 -18 3  56 o 26.96465 1.072456  7.180542       0.5562500 7.800618       0.9401368 6.846549       0.6899815 1.718761       2.144912  
1 1 1 -18 3  57 o 40.02467 1.349896  16.36256       1.026990  16.78368       1.277922  15.59462       1.725701  1.604179       2.699792  
1 1 1 -18 3  58 o 38.56283 2.613249  15.19171       2.015485  15.19171       2.015485  ?              ?         ?              ?         
1 1 1 -18 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 4  1  o 59.21864 0.7243682 34.43106       0.8474383 39.17014       1.331286  31.20258       1.098813  6.725697       1.448736  
1 1 1 -18 4  2  o 91.54619 1.012546  83.62991       1.850384  80.78979       2.525018  86.92432       2.719465  -3.348740      2.025092  
1 1 1 -18 4  3  o 186.7151 1.961165  348.6065       7.317198  357.1052       10.61673  340.9168       10.09884  4.325974       3.922331  
1 1 1 -18 4  4  o 119.9160 1.291240  142.7202       3.076694  153.5033       4.682307  134.5267       4.081511  7.905594       2.582481  
1 1 1 -18 4  5  o 117.6673 1.267532  138.5079       2.982876  138.9703       4.234816  138.0526       4.202221  0.3895874      2.535063  
1 1 1 -18 4  6  o 75.45752 0.8663645 56.65779       1.302271  60.09319       1.949415  53.88914       1.750051  4.109459       1.732729  
1 1 1 -18 4  7  o 157.0383 1.660889  246.7631       5.216188  245.4532       7.332026  248.1055       7.422413  -0.8431854     3.321778  
1 1 1 -18 4  8  o 105.9527 1.153825  111.2786       2.427427  120.5183       3.710454  104.3651       3.209563  7.617821       2.307650  
1 1 1 -18 4  9  o 96.12386 1.304148  92.31685       2.351490  92.09216       2.863753  92.78191       4.119983  -0.3447189     2.608297  
1 1 1 -18 4  10 o 27.85101 0.8613473 7.628650       0.4751668 9.273442       0.7230024 6.378042       0.6304417 5.197321       1.722695  
1 1 1 -18 4  11 o 137.6559 2.082467  189.6602       5.732391  191.6762       8.193998  187.7277       8.022376  1.431030       4.164935  
1 1 1 -18 4  12 o 206.1125 3.062902  425.3701       12.61454  436.0775       18.31391  415.7041       17.40044  4.917328       6.125803  
1 1 1 -18 4  13 o 102.3874 1.392592  102.4971       2.602300  110.6953       4.874704  99.22963       3.077507  5.576904       2.785183  
1 1 1 -18 4  14 o 249.1397 2.603239  621.7901       12.97140  621.8154       18.34568  621.7646       18.34299  0.1013184E-01  5.206479  
1 1 1 -18 4  15 f 241.9164 2.528372  585.9969       12.22912  594.2474       17.56347  578.2330       17.03769  3.297623       5.056744  
1 1 1 -18 4  16 o 158.3967 1.678804  250.6452       5.310762  243.3624       7.280768  258.9258       7.763561  -4.905136      3.357607  
1 1 1 -18 4  17 f 203.4601 2.134836  414.4649       8.686861  412.7646       12.23290  416.1944       12.33792  -0.8406982     4.269672  
1 1 1 -18 4  18 o 72.28268 0.8440210 52.11978       1.217848  50.13013       1.661309  54.43100       1.790536  -2.973938      1.688042  
1 1 1 -18 4  19 o 176.4971 1.863183  311.8195       6.576743  313.3330       9.343480  310.3333       9.258934  0.8481445      3.726365  
1 1 1 -18 4  20 o 171.8153 1.815839  295.2437       6.234979  289.3237       8.618334  301.7447       9.031343  -3.606567      3.631679  
1 1 1 -18 4  21 o 101.7477 1.118361  103.5489       2.275512  104.6078       3.250198  102.5308       3.186858  1.019905       2.236723  
1 1 1 -18 4  22 o 130.3417 1.399588  169.7874       3.644735  174.4254       5.300740  165.6282       5.019608  3.370132       2.799175  
1 1 1 -18 4  23 o 61.96085 0.7690005 38.27926       0.9512767 36.40498       1.299006  40.44680       1.396943  -3.260685      1.538001  
1 1 1 -18 4  24 o 135.3074 1.449118  182.6800       3.911977  190.6951       5.779681  175.9036       5.314311  5.456955       2.898235  
1 1 1 -18 4  25 o 37.25662 0.6205076 13.87966       0.4623029 13.59482       0.6486382 14.17374       0.6590769 -0.7768402     1.241015  
1 1 1 -18 4  26 f 101.3340 1.120311  102.3426       2.263555  107.6617       3.363594  97.93983       3.060175  4.791573       2.240622  
1 1 1 -18 4  27 o 28.76705 0.6303521 8.278169       0.3626110 8.184975       0.5154422 8.369483       0.5102167 -0.3207455     1.260704  
1 1 1 -18 4  28 o 104.0895 1.146069  108.2225       2.382374  111.9159       3.484607  104.9809       3.264523  3.326637       2.292138  
1 1 1 -18 4  29 o 62.96658 0.7786384 39.39172       0.9760441 42.42272       1.468805  36.99489       1.306139  4.307392       1.557277  
1 1 1 -18 4  30 o 46.66708 0.6709352 21.77177       0.6259117 22.17857       0.9021159 21.39416       0.8691497 0.8399124      1.341870  
1 1 1 -18 4  31 f 108.2161 1.445563  118.1892       2.988862  114.1823       4.990521  120.4303       3.732261  -2.933243      2.891125  
1 1 1 -18 4  32 o 128.4806 1.705269  164.6139       4.102965  167.9301       7.236423  163.0428       4.980983  1.789177       3.410538  
1 1 1 -18 4  33 o 26.93315 0.8783681 7.038804       0.4636638 5.386174       0.6039533 9.410950       0.7235796 -7.468353      1.756736  
1 1 1 -18 4  34 o 92.76291 1.471123  86.19816       2.728431  87.49824       3.918883  84.97511       3.800986  1.353973       2.942247  
1 1 1 -18 4  35 o 30.55036 0.8739690 9.269764       0.5313610 8.102880       0.7197409 10.66768       0.7877750 -4.195286      1.747938  
1 1 1 -18 4  36 o 55.42473 0.8919815 30.44031       0.9346539 29.82281       1.142270  31.69131       1.625844  -1.666584      1.783963  
1 1 1 -18 4  37 o 76.66190 1.097206  59.16076       1.603969  59.86631       1.994569  57.86934       2.698460  1.338005       2.194412  
1 1 1 -18 4  38 o 39.99794 0.6591217 15.95697       0.5264037 14.88214       0.7221711 17.17546       0.7689206 -2.865250      1.318243  
1 1 1 -18 4  39 o 51.71326 0.7182305 26.74791       0.7426201 26.06719       1.035348  27.46921       1.065759  -1.354397      1.436461  
1 1 1 -18 4  40 f 83.40710 0.9703177 69.58146       1.617183  67.61811       2.230348  71.75795       2.348291  -2.475212      1.940635  
1 1 1 -18 4  41 o 72.80431 0.8802195 53.05365       1.281210  54.00221       1.842246  52.16509       1.783013  1.258316       1.760439  
1 1 1 -18 4  42 o 39.85519 0.9880313 15.84319       0.7857744 14.74142       1.069815  17.13389       1.157912  -2.995342      1.976063  
1 1 1 -18 4  43 o 74.99924 0.9045655 56.29689       1.356069  57.72805       1.958335  54.97846       1.879629  1.827827       1.809131  
1 1 1 -18 4  44 o 33.06143 0.6856565 10.93560       0.4531554 10.46904       0.6328065 11.42667       0.6492260 -1.447327      1.371313  
1 1 1 -18 4  45 o 24.48532 0.7480299 6.011260       0.3658524 5.790467       0.5240939 6.221113       0.5109435 -0.8802834     1.496060  
1 1 1 -18 4  46 o 31.48602 0.6935493 9.926368       0.4367174 10.06246       0.6211752 9.793357       0.6141087 0.4268303      1.387099  
1 1 1 -18 4  47 o 20.16248 0.8526180 4.067359       0.3399393 3.287807       0.4671940 4.944418       0.4955516 -4.105612      1.705236  
1 1 1 -18 4  48 o 27.25180 0.7413356 7.424061       0.4036205 7.862156       0.5862805 7.029351       0.5564948 1.525433       1.482671  
1 1 1 -18 4  49 o 13.52550 1.152255  1.846447       0.3095545 2.093010       0.4375662 1.599411       0.4379863 1.824758       2.304509  
1 1 1 -18 4  50 o 14.29956 1.167663  2.067508       0.3284057 1.613160       0.4574798 2.550581       0.4717191 -3.275596      2.335325  
1 1 1 -18 4  51 o 41.90403 0.7388414 17.49494       0.6173918 16.00444       0.8378682 19.26566       0.9132404 -3.883522      1.477683  
1 1 1 -18 4  52 o 33.71465 0.7514558 11.36224       0.5060088 12.09532       0.7381601 10.71238       0.6949978 2.046207       1.502912  
1 1 1 -18 4  53 f 35.50239 0.7553664 12.63491       0.5361376 12.15555       0.7532568 13.12710       0.7632685 -1.367069      1.510733  
1 1 1 -18 4  54 o 47.61890 0.7798565 22.57065       0.7397916 24.86667       1.106764  20.71626       0.9946417 4.342594       1.559713  
1 1 1 -18 4  55 o 6.993254 1.801172  0.3954505      0.3306311 0.5320387      0.4725846 0.2644954      0.4627369 1.121310       3.602344  
1 1 1 -18 4  56 o 49.50786 1.017130  24.32834       0.9785908 25.97567       1.606727  23.35690       1.233841  2.572098       2.034260  
1 1 1 -18 4  57 o 41.56496 1.108769  17.39878       0.9215608 17.45777       1.292644  17.33780       1.314191  0.1491356      2.217537  
1 1 1 -18 4  58 o 50.88839 1.654166  26.11996       1.683557  26.11996       1.683557  ?              ?         ?              ?         
1 1 1 -18 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 5  1  o 123.5698 1.325620  152.4413       3.270523  147.5476       4.470632  158.0755       4.797036  -4.255836      2.651240  
1 1 1 -18 5  2  o 115.9649 1.250243  134.5316       2.899629  134.2315       4.086126  134.8359       4.115419  -0.2602844     2.500485  
1 1 1 -18 5  3  o 117.3798 1.264840  137.7426       2.967630  135.2077       4.114163  140.4921       4.284760  -2.248993      2.529680  
1 1 1 -18 5  4  o 66.87022 0.7857807 44.66277       1.049759  43.50355       1.444542  45.96005       1.528151  -1.836166      1.571561  
1 1 1 -18 5  5  o 210.6871 2.206120  444.2060       9.291877  451.9785       13.38244  436.9709       12.91160  3.552200       4.412241  
1 1 1 -18 5  6  o 93.38304 1.032751  87.08495       1.926437  84.52634       2.645911  89.97139       2.810300  -2.913902      2.065502  
1 1 1 -18 5  7  o 226.8273 2.371646  514.9742       10.75432  523.7728       15.48713  506.7806       14.94515  3.734070       4.743292  
1 1 1 -18 5  8  o 166.3006 1.760717  276.7690       5.856072  275.4164       8.253207  278.1405       8.310564  -0.8181152     3.521434  
1 1 1 -18 5  9  o 188.9650 1.985622  357.3169       7.502127  362.1794       10.76438  352.7242       10.46133  2.496429       3.971244  
1 1 1 -18 5  10 o 29.67532 0.5610646 8.801214       0.3328496 8.448677       0.4646871 9.172673       0.4769950 -1.219801      1.122129  
1 1 1 -18 5  11 o 69.58261 0.8198257 48.08070       1.135203  51.78922       1.712763  45.17525       1.516019  4.751137       1.639651  
1 1 1 -18 5  12 o 107.9377 1.275352  115.8269       2.700893  112.9423       3.475674  120.2241       4.291248  -3.363670      2.550704  
1 1 1 -18 5  13 o 209.7929 2.698045  441.1074       10.67061  441.3866       13.06910  440.5490       18.48113  0.3325500      5.396091  
1 1 1 -18 5  14 o 124.6844 1.904397  154.9119       4.731599  147.9473       6.372431  163.4697       7.063838  -6.212349      3.808793  
1 1 1 -18 5  15 o 195.5017 2.912714  383.0803       11.38868  384.4266       16.15331  381.7497       16.05915  0.6820221      5.825428  
1 1 1 -18 5  16 o 85.99461 1.380844  73.91328       2.373008  72.17816       3.277819  75.82426       3.439928  -2.117760      2.761687  
1 1 1 -18 5  17 o 258.2845 3.501285  665.4866       17.55843  685.8447       28.68075  653.2827       22.20616  6.074493       7.002569  
1 1 1 -18 5  18 o 148.5367 1.943826  219.9385       5.404263  223.5431       9.533780  218.2318       6.560019  1.728134       3.887651  
1 1 1 -18 5  19 o 212.3154 2.226267  451.4114       9.452519  454.8567       13.47908  448.0775       13.25939  1.591217       4.452534  
1 1 1 -18 5  20 o 147.2307 1.566899  216.9305       4.613834  215.9996       6.501957  217.8747       6.548182  -0.6359863     3.133797  
1 1 1 -18 5  21 o 188.4041 1.982550  355.1178       7.465086  362.9003       10.80409  348.0081       10.32654  3.941284       3.965101  
1 1 1 -18 5  22 o 80.63319 0.9240798 65.02426       1.490046  64.31630       2.087347  65.75987       2.127720  -0.8946991     1.848160  
1 1 1 -18 5  23 o 237.0725 2.483170  562.3951       11.75749  579.8042       17.17732  547.0489       16.12748  6.874451       4.966339  
1 1 1 -18 5  24 o 96.32216 1.071419  92.81126       2.063809  93.56628       2.944405  92.08202       2.893593  0.7696915      2.142838  
1 1 1 -18 5  25 o 47.55619 0.6780828 22.31914       0.6403035 25.27696       0.9794315 20.11146       0.8461671 5.429546       1.356166  
1 1 1 -18 5  26 o 75.45061 0.8806353 56.92207       1.328430  57.89979       1.909312  56.00465       1.849484  1.255020       1.761271  
1 1 1 -18 5  27 f 116.2344 1.550220  134.2292       3.363748  138.1471       5.982028  132.4177       4.067769  2.412910       3.100439  
1 1 1 -18 5  28 o 44.45673 0.8945473 19.55477       0.7907335 17.72348       1.051835  21.93481       1.199116  -4.733765      1.789095  
1 1 1 -18 5  29 o 19.49272 0.9492543 3.800673       0.3697995 3.602686       0.5180724 4.006337       0.5280204 -1.035175      1.898509  
1 1 1 -18 5  30 o 98.98739 1.546960  97.93482       3.057539  94.65575       4.181340  101.7030       4.482363  -3.548279      3.093921  
1 1 1 -18 5  31 o 40.35294 0.8781425 16.23644       0.7073955 17.27586       1.039512  15.33994       0.9654095 2.396915       1.756285  
1 1 1 -18 5  32 o 73.73729 1.050865  55.14621       1.498347  57.46598       1.913273  51.46714       2.409481  4.083984       2.101729  
1 1 1 -18 5  33 o 44.27320 0.6620287 19.55954       0.5853519 20.54098       0.8564931 18.69937       0.8018328 2.078609       1.324057  
1 1 1 -18 5  34 o 56.03814 0.7363693 31.10736       0.8202272 34.24548       1.247385  28.71690       1.088694  4.928589       1.472739  
1 1 1 -18 5  35 o 33.61040 0.6400848 11.19254       0.4277403 9.692710       0.5760927 13.03521       0.6385497 -4.970711      1.280170  
1 1 1 -18 5  36 o 56.07998 0.7379660 31.40827       0.8265517 32.63314       1.208343  30.33117       1.133121  2.049877       1.475932  
1 1 1 -18 5  37 o 103.1705 1.147780  106.6315       2.368329  106.2853       3.342822  106.9804       3.355863  -0.3361588     2.295560  
1 1 1 -18 5  38 o 77.15923 0.9107446 59.60204       1.405321  60.05038       2.003513  59.16782       1.971718  0.5703964      1.821489  
1 1 1 -18 5  39 o 69.26917 1.183275  48.06601       1.638685  48.78763       2.355911  47.38966       2.280813  1.004227       2.366549  
1 1 1 -18 5  40 o 71.35732 0.8680818 50.95987       1.238494  51.86914       1.778754  50.10427       1.725451  1.233902       1.736164  
1 1 1 -18 5  41 o 24.22835 0.7344231 5.844779       0.3525060 4.799989       0.4806210 7.061106       0.5185773 -4.664375      1.468846  
1 1 1 -18 5  42 o 48.54461 1.029328  23.54792       0.9978148 24.86056       1.461550  22.40199       1.365580  2.525360       2.058656  
1 1 1 -18 5  43 o 31.06310 0.6880416 9.655766       0.4271651 9.169986       0.5982180 10.16114       0.6101645 -1.594757      1.376083  
1 1 1 -18 5  44 o 48.53675 0.7215981 23.29866       0.6956539 26.13051       1.062658  21.17497       0.9202449 5.096214       1.443196  
1 1 1 -18 5  45 o 34.41115 0.6897862 11.85203       0.4745769 12.01662       0.6814442 11.69702       0.6613145 0.4630775      1.379572  
1 1 1 -18 5  46 o 21.15319 0.8203465 4.459455       0.3425507 3.538740       0.4662366 5.539447       0.5049566 -4.725821      1.640693  
1 1 1 -18 5  47 f 67.65895 0.8555167 45.88031       1.157664  45.72141       1.635504  46.03986       1.638869  -0.2350311     1.711033  
1 1 1 -18 5  48 f 20.91791 0.8981968 4.338565       0.3643628 6.004786       0.5484977 3.022553       0.4874597 7.122093       1.796394  
1 1 1 -18 5  49 o 29.88484 0.7451879 8.952063       0.4452144 8.820322       0.6358374 9.078779       0.6235975 -0.4335957     1.490376  
1 1 1 -18 5  50 o 33.45560 0.7274975 11.17119       0.4857394 12.19218       0.7114245 10.27958       0.6648197 2.853809       1.454995  
1 1 1 -18 5  51 o 22.78850 0.8592673 5.161363       0.3895215 5.966424       0.5805578 4.502237       0.5253097 3.205786       1.718535  
1 1 1 -18 5  52 o 36.67228 0.7433687 13.48027       0.5451901 13.39874       0.7735916 13.56071       0.7684644 -0.2213974     1.486737  
1 1 1 -18 5  53 o 62.62559 0.8474972 39.23539       1.059581  41.26736       1.556834  37.48191       1.446219  3.006741       1.694994  
1 1 1 -18 5  54 o 20.81878 0.9415780 4.353552       0.3914179 4.686531       0.5586233 4.032404       0.5486094 1.569344       1.883156  
1 1 1 -18 5  55 o 46.38958 0.9510924 21.23273       0.8232334 22.68784       1.477615  20.57775       0.9913447 2.191868       1.902185  
1 1 1 -18 5  56 o 19.76347 1.353043  3.946249       0.5346101 4.083070       0.7577692 3.810659       0.7543480 0.6882706      2.706087  
1 1 1 -18 5  57 o 46.97715 1.114670  22.15821       1.045279  23.39346       1.537527  21.09665       1.425335  2.418541       2.229339  
1 1 1 -18 5  58 o 26.98167 1.522160  7.278871       0.7893769 7.013021       0.9804019 7.768871       1.331018  -1.283371      3.044321  
1 1 1 -18 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 6  1  o 79.34164 0.8993301 62.91374       1.426290  61.49651       1.977227  64.45127       2.059441  -1.861320      1.798660  
1 1 1 -18 6  2  o 227.6230 2.380784  517.3552       10.81019  498.5165       14.66869  539.7484       15.99282  -9.026489      4.761567  
1 1 1 -18 6  3  o 222.2051 2.326021  494.2091       10.33238  486.2894       14.35578  502.7210       14.88285  -3.685699      4.652041  
1 1 1 -18 6  4  o 217.2069 2.274062  472.4173       9.878470  474.6966       14.04294  470.1844       13.89871  1.035599       4.548123  
1 1 1 -18 6  5  o 87.96112 0.9799641 77.37524       1.723677  76.58152       2.410933  78.20514       2.465270  -0.9224319     1.959928  
1 1 1 -18 6  6  o 131.8788 1.410859  174.0109       3.721242  173.9079       5.257642  174.1144       5.267636  -0.7818604E-01 2.821718  
1 1 1 -18 6  7  o 275.4760 2.873994  760.0573       15.82644  746.9155       21.97010  774.2328       22.81790  -4.935608      5.747988  
1 1 1 -18 6  8  o 196.0137 2.057747  383.7581       8.051218  371.3828       10.98344  398.1306       11.83666  -6.806702      4.115494  
1 1 1 -18 6  9  o 94.49991 1.043027  89.29102       1.970674  87.96880       2.745002  90.69726       2.830890  -1.442802      2.086053  
1 1 1 -18 6  10 o 179.0818 1.885682  320.2777       6.740808  310.0337       9.197564  332.1651       9.907907  -6.166626      3.771365  
1 1 1 -18 6  11 o 143.6095 1.527601  205.9845       4.380796  199.9334       5.999047  212.8980       6.412346  -4.507919      3.055201  
1 1 1 -18 6  12 o 113.3379 1.227720  128.5054       2.782924  128.8948       3.944913  128.1196       3.926451  0.3417664      2.455440  
1 1 1 -18 6  13 o 157.2063 1.926104  246.9218       6.046470  239.5337       8.278214  255.3707       8.852661  -5.026306      3.852209  
1 1 1 -18 6  14 o 51.20410 0.7282538 26.31592       0.7402625 27.06585       0.9964923 25.39244       1.105798  1.634838       1.456508  
1 1 1 -18 6  15 f 117.0223 1.264323  136.9214       2.957636  139.5464       4.263678  134.4867       4.106221  2.159843       2.528646  
1 1 1 -18 6  16 o 54.64373 0.6976461 29.72875       0.7602984 31.64295       1.128138  28.13582       1.029120  3.208374       1.395292  
1 1 1 -18 6  17 o 169.1250 2.172571  289.7084       7.069256  299.0605       8.938182  274.0863       11.55223  7.443054       4.345143  
1 1 1 -18 6  18 o 302.1117 4.061397  921.3644       24.25328  945.5767       32.18843  889.5649       36.88864  9.477722       8.122793  
1 1 1 -18 6  19 o 168.9585 2.536989  285.6024       8.562259  294.6977       12.48989  277.5381       11.76071  5.057281       5.073979  
1 1 1 -18 6  20 o 94.47052 1.500088  89.13788       2.829918  92.32840       4.143012  86.34727       3.874667  3.160927       3.000175  
1 1 1 -18 6  21 o 137.6551 2.091697  189.7174       5.757277  187.2984       8.036732  192.2675       8.251554  -1.799438      4.183395  
1 1 1 -18 6  22 o 238.1832 3.038604  574.0758       13.85429  552.2145       23.00423  586.5177       17.35458  -7.421921      6.077209  
1 1 1 -18 6  23 o 262.5591 3.881819  0.000000       0.000000  ?              ?         691.4722       20.38414  ?              ?         
1 1 1 -18 6  24 o 59.90788 1.038998  35.26780       1.230282  40.07113       1.928337  31.97044       1.597696  6.755630       2.077996  
1 1 1 -18 6  25 o 139.1737 2.100607  193.9496       5.843586  197.8498       8.438343  190.3558       8.100183  2.680817       4.201213  
1 1 1 -18 6  26 o 103.9189 1.608632  107.7519       3.333938  112.9411       4.942860  103.4207       4.515824  4.568794       3.217264  
1 1 1 -18 6  27 o 91.51028 1.442433  83.24846       2.625594  89.31391       3.970879  78.53660       3.499864  5.875175       2.884865  
1 1 1 -18 6  28 o 71.41315 1.023898  51.36649       1.400702  52.22618       1.753507  49.85080       2.328309  1.675919       2.047795  
1 1 1 -18 6  29 o 125.4519 1.356566  157.0268       3.394071  150.7063       4.597002  164.6014       5.032372  -5.523933      2.713132  
1 1 1 -18 6  30 o 54.45990 0.7200824 29.59649       0.7832879 28.17904       1.075069  31.20035       1.143576  -2.772568      1.440165  
1 1 1 -18 6  31 o 62.19455 0.7751077 38.31027       0.9580873 35.36652       1.270797  42.18716       1.458367  -5.478870      1.550215  
1 1 1 -18 6  32 o 38.16766 0.6364882 14.52110       0.4849035 13.38502       0.6648778 15.81199       0.7087356 -3.178432      1.272976  
1 1 1 -18 6  33 o 73.39379 0.8704647 53.44944       1.269851  57.91867       1.930221  50.03915       1.686112  5.360535       1.740929  
1 1 1 -18 6  34 o 15.76082 0.8302130 2.503828       0.2587391 2.067967       0.3653463 2.942401       0.3664810 -2.774037      1.660426  
1 1 1 -18 6  35 o 108.2854 1.194087  117.0630       2.578817  122.6694       3.822635  112.3804       3.493539  4.733322       2.388173  
1 1 1 -18 6  36 o 54.46362 0.7301180 29.49344       0.7919366 31.71642       1.188527  27.71841       1.062050  3.666039       1.460236  
1 1 1 -18 6  37 o 60.60687 0.7760334 36.75583       0.9404764 37.12590       1.345843  36.40265       1.314770  0.5954666      1.552067  
1 1 1 -18 6  38 o 36.35110 0.8851719 13.06751       0.6395543 14.89645       0.9701804 11.66190       0.8505194 4.443352       1.770344  
1 1 1 -18 6  39 o 68.53980 0.8419348 47.00355       1.153576  47.85089       1.662301  46.21639       1.602167  1.189529       1.683870  
1 1 1 -18 6  40 o 52.74421 0.7283651 27.84413       0.7682694 27.97227       1.095018  27.71990       1.078172  0.2384682      1.456730  
1 1 1 -18 6  41 o 59.97742 0.7823939 35.92472       0.9368993 37.53610       1.375122  34.52869       1.279944  2.501884       1.564788  
1 1 1 -18 6  42 o 41.14234 1.008371  16.91686       0.8286067 16.04422       1.136974  17.90534       1.210095  -2.256489      2.016742  
1 1 1 -18 6  43 o 52.14138 0.7388874 27.05506       0.7674674 29.05762       1.149693  25.44542       1.030748  3.456680       1.477775  
1 1 1 -18 6  44 o 7.799701 1.545221  0.6136805      0.2705583 0.2694736      0.3882639 0.9386002      0.3772290 -3.359970      3.090443  
1 1 1 -18 6  45 o 17.69182 0.8965049 3.152142       0.3154230 2.796432       0.4495077 3.497193       0.4427207 -1.981071      1.793010  
1 1 1 -18 6  46 o 14.07110 1.134885  2.007592       0.3155206 1.673360       0.4508242 2.328494       0.4417416 -2.329015      2.269770  
1 1 1 -18 6  47 f 5.985558 1.632709  0.2000467      0.2871883 0.2508723E-02  0.4073480 0.3952693      0.4049536 -1.504214      3.265418  
1 1 1 -18 6  48 f 19.85693 0.8833259 3.956148       0.3492087 3.477304       0.4876078 4.460344       0.5003500 -2.473938      1.766652  
1 1 1 -18 6  49 o 22.50036 0.8332556 5.033010       0.3720791 6.004679       0.5521626 4.224791       0.5035846 3.949911       1.666511  
1 1 1 -18 6  50 o 64.64090 0.8455142 41.89615       1.093044  41.42379       1.537228  42.37919       1.554513  -0.7370071     1.691028  
1 1 1 -18 6  51 o 29.83922 0.7787348 8.872053       0.4612128 7.444554       0.6281795 10.54147       0.6793257 -5.183567      1.557470  
1 1 1 -18 6  52 o 36.17733 0.7521203 13.04002       0.5424946 14.44613       0.8026467 11.85748       0.7360752 3.570103       1.504241  
1 1 1 -18 6  53 o 24.72050 0.8564843 6.135951       0.4232143 6.013172       0.6048321 6.253731       0.5923926 -0.4883938     1.712969  
1 1 1 -18 6  54 o 42.99590 0.7712518 18.37583       0.6600128 20.30817       0.9945453 16.85505       0.8823011 4.000355       1.542504  
1 1 1 -18 6  55 o 17.48431 1.358772  3.202705       0.4521665 2.646899       0.7239520 3.558208       0.5789878 -2.641401      2.717545  
1 1 1 -18 6  56 o 23.53835 1.271430  5.567850       0.5938826 6.600948       0.8693774 4.663975       0.8131891 4.100365       2.542861  
1 1 1 -18 6  57 o 21.47124 1.404900  4.663289       0.6028569 4.920846       0.8639661 4.418889       0.8416101 1.162027       2.809800  
1 1 1 -18 6  58 o 42.50591 1.647916  18.22091       1.400924  18.22091       1.400924  ?              ?         ?              ?         
1 1 1 -18 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 7  1  o 104.4877 1.139888  109.0607       2.379195  106.1981       3.269544  112.2825       3.468657  -2.909157      2.279776  
1 1 1 -18 7  2  o 124.5863 1.337627  155.2829       3.332778  153.9716       4.680161  156.6318       4.747069  -1.066696      2.675255  
1 1 1 -18 7  3  o 311.1813 3.243896  970.9734       20.18347  959.1024       28.15970  983.5150       28.94391  -3.896698      6.487792  
1 1 1 -18 7  4  o 60.23205 0.7350583 36.07255       0.8821568 33.95231       1.186400  38.69428       1.319267  -3.935444      1.470117  
1 1 1 -18 7  5  o 171.9109 1.812664  295.5253       6.227383  302.5017       9.025032  289.1850       8.603765  3.865570       3.625328  
1 1 1 -18 7  6  o 116.0006 1.252557  134.6199       2.905945  134.8232       4.113997  134.4174       4.105270  0.1748047      2.505115  
1 1 1 -18 7  7  o 60.59191 0.7382107 36.00890       0.8830532 41.13766       1.391653  32.55202       1.142529  7.083004       1.476421  
1 1 1 -18 7  8  o 161.0283 1.702933  259.4785       5.483824  257.4978       7.688609  261.5295       7.823755  -1.249603      3.405866  
1 1 1 -18 7  9  o 77.80727 0.8908069 59.70639       1.371985  66.34807       2.133483  55.02296       1.791560  7.274673       1.781614  
1 1 1 -18 7  10 f 196.7325 2.066065  387.4815       8.128935  389.4715       11.55689  385.5330       11.43616  0.9985352      4.132130  
1 1 1 -18 7  11 o 96.50691 1.064714  93.04435       2.052933  95.72073       2.986013  90.64532       2.827073  2.627869       2.129429  
1 1 1 -18 7  12 o 85.32599 0.9595580 72.14401       1.625978  67.45230       2.150747  78.40262       2.484062  -6.413506      1.919116  
1 1 1 -18 7  13 o 70.24083 0.8263286 49.31567       1.160396  50.48981       1.669543  48.21841       1.613964  1.616386       1.652657  
1 1 1 -18 7  14 o 41.41208 0.9284781 17.06412       0.7669022 15.90173       1.039282  18.45374       1.136331  -3.080288      1.856956  
1 1 1 -18 7  15 o 230.4529 2.411474  531.9057       11.11262  537.8024       15.89792  526.2719       15.53944  2.492477       4.822948  
1 1 1 -18 7  16 f 281.4452 2.937646  793.9836       16.53156  784.0040       23.07062  804.5156       23.70043  -3.623749      5.875291  
1 1 1 -18 7  17 o 140.5610 1.498963  197.6942       4.213545  199.1393       6.006593  196.2941       5.912232  1.010529       2.997926  
1 1 1 -18 7  18 o 154.6654 1.643273  239.4177       5.083061  240.3254       7.214088  238.5227       7.163249  0.5818176      3.286546  
1 1 1 -18 7  19 o 253.4586 3.260226  640.1893       15.41698  657.2407       27.42357  632.3101       18.64171  4.582733       6.520451  
1 1 1 -18 7  20 o 149.4749 2.241593  223.6304       6.696376  228.6692       9.693984  219.0317       9.261056  3.211655       4.483186  
1 1 1 -18 7  21 o 105.2382 1.620492  110.6968       3.406988  107.5570       4.686755  114.2155       4.961384  -3.157555      3.240984  
1 1 1 -18 7  22 o 59.87079 1.456208  35.86082       1.743687  35.86082       1.743687  ?              ?         ?              ?         
1 1 1 -18 7  23 o 56.85189 1.419398  32.33575       1.613909  32.33575       1.613909  ?              ?         ?              ?         
1 1 1 -18 7  24 o 112.7774 2.477787  127.3671       5.588768  127.3671       5.588768  ?              ?         ?              ?         
1 1 1 -18 7  25 o 66.45540 1.164254  43.79634       1.538640  47.88877       2.332799  40.64514       2.047031  5.444191       2.328508  
1 1 1 -18 7  26 f 44.41896 0.9672120 19.74004       0.8592246 19.82222       1.220832  19.65938       1.209501  0.1830826      1.934424  
1 1 1 -18 7  27 o 114.5973 1.779204  131.5826       4.077827  131.7795       5.775434  131.3869       5.758441  0.1706314      3.558408  
1 1 1 -18 7  28 o 52.95448 0.8878850 27.34731       0.8565614 29.76891       1.612389  26.39520       1.011022  3.173038       1.775770  
1 1 1 -18 7  29 f 56.47546 0.9139548 31.61419       0.9542109 32.69896       1.730028  31.13990       1.143951  1.366447       1.827910  
1 1 1 -18 7  30 f 88.06197 0.9986838 77.58564       1.758512  76.32632       2.454724  78.91325       2.520399  -1.466850      1.997368  
1 1 1 -18 7  31 o 81.39653 0.9390579 66.25446       1.527920  64.71458       2.119276  67.92124       2.204875  -1.967140      1.878116  
1 1 1 -18 7  32 o 117.5795 1.281304  138.4630       3.012965  139.1615       4.285472  137.7801       4.236897  0.5853119      2.562609  
1 1 1 -18 7  33 o 114.9227 1.256426  131.8981       2.880684  137.7645       4.257716  126.9456       3.912008  4.690285       2.512852  
1 1 1 -18 7  34 o 74.46053 0.8818228 55.17294       1.307593  58.89313       1.962409  52.20236       1.753592  4.484741       1.763646  
1 1 1 -18 7  35 o 20.17193 0.7238081 4.074862       0.2915429 4.013944       0.4227092 4.130131       0.4026311 -0.2886581     1.447616  
1 1 1 -18 7  36 o 109.5337 1.208489  120.1621       2.646301  122.0743       3.808574  118.3773       3.679627  1.679977       2.416977  
1 1 1 -18 7  37 o 94.43607 1.068297  89.27809       2.016849  87.53823       2.802710  91.14668       2.904525  -1.904793      2.136594  
1 1 1 -18 7  38 o 15.62210 0.8727384 2.449426       0.2716540 2.363896       0.3977647 2.524191       0.3718926 -0.5142775     1.745477  
1 1 1 -18 7  39 o 65.15016 0.8169456 42.47482       1.064115  43.16214       1.529300  41.82971       1.481604  1.020264       1.633891  
1 1 1 -18 7  40 o 39.21479 0.6687531 15.37648       0.5240531 15.73332       0.7600749 15.05313       0.7235215 0.8655777      1.337506  
1 1 1 -18 7  41 o 64.20254 0.8171085 41.27448       1.049185  41.22860       1.488301  41.31981       1.479285  -0.7154846E-01 1.634217  
1 1 1 -18 7  42 o 82.44437 1.388515  68.14817       2.286924  70.50687       3.331883  66.04714       3.144631  2.684494       2.777030  
1 1 1 -18 7  43 o 52.27583 0.7427770 27.27261       0.7752765 25.67720       1.060515  29.10389       1.136207  -3.272751      1.485554  
1 1 1 -18 7  44 o 114.4678 1.268497  131.5298       2.902991  133.5599       4.173198  129.6263       4.040897  1.702538       2.536995  
1 1 1 -18 7  45 o 13.11573 1.108740  1.709648       0.2884949 2.048796       0.4298009 1.431549       0.3892005 2.348433       2.217481  
1 1 1 -18 7  46 o 32.63475 0.7277402 10.35484       0.4674553 13.29219       0.7318895 8.330999       0.6075118 7.591352       1.455480  
1 1 1 -18 7  47 f 39.69583 0.7118877 15.78103       0.5651224 15.56432       0.7924222 16.00533       0.8061626 -0.5543404     1.423775  
1 1 1 -18 7  48 o 21.52738 0.8427053 4.635762       0.3608299 5.344247       0.5239583 3.996665       0.4976393 3.127121       1.685411  
1 1 1 -18 7  49 o 30.81228 0.7457263 9.516712       0.4590152 8.932847       0.6455640 10.11372       0.6527873 -1.915506      1.491453  
1 1 1 -18 7  50 o 47.71012 0.7528887 22.73120       0.7171029 21.21722       0.9810107 24.46845       1.050862  -3.399883      1.505777  
1 1 1 -18 7  51 o 40.26263 0.7512130 16.25099       0.6048192 15.95007       0.8566105 16.55013       0.8540822 -0.7454567     1.502426  
1 1 1 -18 7  52 o 56.19555 0.8054752 31.60270       0.9042494 30.14218       1.243620  33.24102       1.317149  -2.747669      1.610950  
1 1 1 -18 7  53 f 29.92955 0.8144794 8.928421       0.4858784 9.953388       0.7198093 8.070509       0.6585425 3.136753       1.628959  
1 1 1 -18 7  54 f 25.50682 1.032990  6.368989       0.5017803 7.096701       0.8717777 6.008458       0.6136158 2.085987       2.065979  
1 1 1 -18 7  55 o 25.10385 1.222844  6.346648       0.6136380 6.573710       0.8851192 6.136512       0.8514881 0.8628807      2.445688  
1 1 1 -18 7  56 o 26.44118 1.203890  7.039651       0.6361452 7.431273       0.9174179 6.676970       0.8828670 1.417999       2.407780  
1 1 1 -18 7  57 o 21.48426 1.373978  4.626747       0.5867969 5.404759       0.8746716 3.989996       0.7912912 3.267015       2.747956  
1 1 1 -18 7  58 o 43.70385 2.567695  19.50281       2.244363  19.50281       2.244363  ?              ?         ?              ?         
1 1 1 -18 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 8  1  o 168.4557 2.528529  284.2264       8.516008  288.6417       12.23658  280.0793       11.85920  2.530807       5.057059  
1 1 1 -18 8  2  o 139.3627 2.118650  193.1430       5.871988  182.6118       7.821722  206.7434       8.888721  -8.633057      4.237299  
1 1 1 -18 8  3  o 173.6642 1.835978  301.6882       6.372775  296.2457       8.826108  307.6159       9.211145  -3.265976      3.671955  
1 1 1 -18 8  4  o 305.3105 3.185703  934.2821       19.43943  916.2565       26.90678  953.9643       28.11609  -6.134003      6.371406  
1 1 1 -18 8  5  o 33.45091 0.5510308 11.18513       0.3685432 10.96504       0.5136982 11.41856       0.5290378 -0.6778030     1.102062  
1 1 1 -18 8  6  f 112.6136 1.221712  125.8084       2.732972  118.3157       3.620494  135.7331       4.166852  -7.726189      2.443424  
1 1 1 -18 8  7  o 130.6535 1.400263  170.7979       3.658886  171.4768       5.197203  170.1307       5.151987  0.5144653      2.800526  
1 1 1 -18 8  8  o 46.00112 0.6274552 20.88708       0.5730430 23.52787       0.8776104 18.92434       0.7565985 5.002922       1.254910  
1 1 1 -18 8  9  o 86.35617 0.9688094 74.46966       1.671016  72.31801       2.292890  76.90694       2.440344  -2.655464      1.937619  
1 1 1 -18 8  10 o 138.4241 1.476253  191.6656       4.085743  194.5260       5.865555  188.9697       5.694468  2.004288       2.952506  
1 1 1 -18 8  11 o 214.2166 2.245010  459.4301       9.615586  453.3929       13.40670  465.8257       13.79876  -2.892487      4.490020  
1 1 1 -18 8  12 o 61.15762 0.7467569 37.39436       0.9131433 36.82231       1.273260  38.00018       1.310295  -0.9626770     1.493514  
1 1 1 -18 8  13 o 124.3725 1.337657  154.1735       3.316827  147.7343       4.481765  161.9711       4.931878  -5.716850      2.675313  
1 1 1 -18 8  14 o 41.63370 0.6737010 16.86224       0.5402136 19.05787       0.9171722 15.69592       0.6684705 4.035675       1.347402  
1 1 1 -18 8  15 o 208.2845 2.185594  434.4306       9.103492  438.0495       12.99089  430.9387       12.76076  1.701309       4.371189  
1 1 1 -18 8  16 o 71.68659 1.015128  51.14930       1.374559  52.18761       2.384179  50.63234       1.682296  1.076630       2.030255  
1 1 1 -18 8  17 o 110.1225 1.684766  121.3677       3.710000  120.4562       5.192110  122.3186       5.303115  -0.8433838     3.369532  
1 1 1 -18 8  18 o 173.0863 2.579457  299.9694       8.921363  293.1894       12.30844  307.4739       12.94938  -4.105865      5.158913  
1 1 1 -18 8  19 o 34.22678 0.7867049 11.70428       0.5382234 12.15366       0.7767076 11.28916       0.7465156 1.262581       1.573410  
1 1 1 -18 8  20 o 117.8445 1.559816  138.4144       3.453234  137.2919       4.205846  140.7365       6.049307  -1.421341      3.119632  
1 1 1 -18 8  21 o 74.88916 0.8743860 56.06940       1.309154  57.27748       1.883087  54.93930       1.821305  1.560265       1.748772  
1 1 1 -18 8  22 o 94.66981 1.056421  88.93200       1.987684  83.50584       2.638596  96.05119       3.022336  -6.619385      2.112843  
1 1 1 -18 8  23 o 197.6874 2.080234  391.5157       8.223302  395.5901       11.76091  387.6184       11.50241  2.007339       4.160468  
1 1 1 -18 8  24 o 34.73655 0.6245722 11.92905       0.4313256 10.47465       0.5766972 13.77553       0.6497974 -4.750488      1.249144  
1 1 1 -18 8  25 o 58.68040 0.7466207 34.41182       0.8757464 33.48162       1.213808  35.42174       1.264747  -1.652351      1.493241  
1 1 1 -18 8  26 o 92.90118 1.043134  86.06188       1.933259  82.34370       2.623179  90.48254       2.860264  -4.374893      2.086267  
1 1 1 -18 8  27 o 89.03747 1.005357  79.07551       1.785839  82.80602       2.640320  75.92976       2.424567  3.856277       2.010714  
1 1 1 -18 8  28 o 47.07538 0.8407061 21.58690       0.7249283 20.76709       0.8584696 23.62441       1.353372  -3.023994      1.681412  
1 1 1 -18 8  29 o 112.1722 1.528629  122.7451       3.111551  118.4157       3.662434  133.9777       5.899227  -6.836243      3.057258  
1 1 1 -18 8  30 o 88.57690 1.439268  78.60681       2.549651  78.90520       3.621350  78.31348       3.590351  0.3325500      2.878535  
1 1 1 -18 8  31 o 172.2383 2.599872  298.2517       8.947301  291.1661       12.33272  306.1254       13.00046  -4.283279      5.199744  
1 1 1 -18 8  32 o 44.09010 0.9779133 19.37164       0.8600515 20.66959       1.274184  18.28540       1.165644  2.699757       1.955827  
1 1 1 -18 8  33 o 72.01500 1.239962  51.84148       1.782865  53.89584       2.615489  50.05838       2.436697  2.654739       2.479923  
1 1 1 -18 8  34 f 66.41426 1.184435  43.48641       1.556375  48.94273       2.427289  39.67689       2.028182  6.954288       2.368870  
1 1 1 -18 8  35 o 49.23796 0.9340731 23.94258       0.8863506 25.48499       1.485518  23.08994       1.104496  2.415089       1.868146  
1 1 1 -18 8  36 o 40.10494 0.8509836 16.74263       0.6388544 14.14041       1.069035  18.18819       0.7967803 -5.058083      1.701967  
1 1 1 -18 8  37 o 86.20267 1.228350  74.52456       1.987139  74.35591       3.471395  74.60676       2.423482  -0.2143478     2.456700  
1 1 1 -18 8  38 o 36.94639 0.6707404 13.37571       0.4896995 10.97198       0.6451587 16.64298       0.7521719 -7.670494      1.341481  
1 1 1 -18 8  39 o 34.32210 0.6571289 11.78061       0.4506434 11.98224       0.6540743 11.59840       0.6217647 0.5577698      1.314258  
1 1 1 -18 8  40 o 70.77617 0.8630551 50.16576       1.221660  49.84003       1.723704  50.49453       1.731702  -0.4618912     1.726110  
1 1 1 -18 8  41 o 41.80083 0.6863571 17.47557       0.5734240 17.87463       0.8293805 17.11012       0.7936847 0.9126625      1.372714  
1 1 1 -18 8  42 o 23.39390 1.018276  5.230085       0.4586030 4.614655       0.5638385 6.433050       0.7882997 -3.867533      2.036552  
1 1 1 -18 8  43 o 110.7288 1.232485  122.9898       2.728043  120.4345       3.785311  125.7513       3.935119  -2.384331      2.464971  
1 1 1 -18 8  44 o 76.01835 0.9200255 57.92210       1.398600  58.21128       1.995909  57.64311       1.960407  0.3704224      1.840051  
1 1 1 -18 8  45 f 75.33823 0.9166622 56.86765       1.380547  57.92685       1.989347  55.88366       1.917416  1.349068       1.833324  
1 1 1 -18 8  46 o 38.52767 0.7127481 14.85013       0.5487993 15.31843       0.7951689 14.42417       0.7583765 1.157585       1.425496  
1 1 1 -18 8  47 o 37.72083 0.7117854 14.19435       0.5358374 15.23795       0.7892575 13.30205       0.7298065 2.560905       1.423571  
1 1 1 -18 8  48 o 7.462597 1.723909  0.5380472      0.2960282 0.6120081      0.4325421 0.4728814      0.4060104 0.7322259      3.447819  
1 1 1 -18 8  49 o 16.16535 1.052342  2.624359       0.3393357 2.624622       0.4982536 2.624132       0.4634233 -0.3496170E-02 2.104685  
1 1 1 -18 8  50 o 71.45286 0.9040465 51.19593       1.291500  50.03938       1.798233  52.42807       1.856054  -1.663910      1.808093  
1 1 1 -18 8  51 o 63.35241 0.8519373 40.21101       1.078720  38.93410       1.492506  41.60757       1.560870  -2.101204      1.703875  
1 1 1 -18 8  52 o 54.56892 0.8052470 29.85790       0.8786132 30.45638       1.259741  29.29102       1.226038  1.063160       1.610494  
1 1 1 -18 8  53 o 8.544540 1.855324  0.7469392      0.3559438 0.5201277      0.5356513 0.9262862      0.4763176 -1.682462      3.710648  
1 1 1 -18 8  54 o 7.839758 1.755410  0.4285759      0.4015155 -0.5743312     0.6174231 1.163511       0.5285391 -5.304544      3.510821  
1 1 1 -18 8  55 o 45.03812 1.089228  20.42240       0.9808776 19.86975       1.386348  20.97635       1.387995  -1.228161      2.178457  
1 1 1 -18 8  56 o 23.69944 1.300828  5.662708       0.6157905 5.892630       0.8990607 5.459530       0.8451556 0.8987732      2.601656  
1 1 1 -18 8  57 o 22.13273 1.355378  4.934140       0.5982828 5.481628       0.8753182 4.454105       0.8196244 2.304661       2.710757  
1 1 1 -18 8  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 9  1  o 177.9285 2.666492  317.2943       9.487606  320.4768       13.55289  314.2359       13.28609  1.745239       5.332984  
1 1 1 -18 9  2  o 155.8402 2.350475  242.9696       7.317754  250.0986       10.65663  236.6086       10.06632  4.311874       4.700950  
1 1 1 -18 9  3  o 136.3259 2.076050  186.1063       5.660289  185.7044       7.978237  186.5135       8.031746  -0.2954712     4.152099  
1 1 1 -18 9  4  o 186.8259 2.794193  349.8379       10.43861  353.8510       14.93669  346.0067       14.59410  2.088470       5.588386  
1 1 1 -18 9  5  o 32.71611 0.5457827 10.70555       0.3570463 10.64462       0.5092375 10.76446       0.5007489 -0.1831970     1.091565  
1 1 1 -18 9  6  o 73.52759 0.8491641 54.07412       1.248714  53.87980       1.759197  54.27147       1.772778  -0.2662125     1.698328  
1 1 1 -18 9  7  o 77.88387 0.8902261 60.10052       1.377011  65.40625       2.103222  56.11992       1.821741  5.958839       1.780452  
1 1 1 -18 9  8  o 131.9499 1.412472  174.1890       3.727036  172.5127       5.220732  175.9312       5.322387  -1.293777      2.824945  
1 1 1 -18 9  9  o 150.9401 1.602384  227.9888       4.836802  226.2558       6.783467  229.7810       6.898525  -1.165695      3.204768  
1 1 1 -18 9  10 o 163.1598 1.725773  266.4003       5.630363  263.5006       7.867100  269.4452       8.061529  -1.817917      3.451546  
1 1 1 -18 9  11 o 208.7779 2.189876  436.4776       9.142560  432.3609       12.79672  440.7697       13.06657  -2.007126      4.379751  
1 1 1 -18 9  12 o 42.08949 0.7105455 17.65145       0.5760132 17.96414       0.9571306 17.47389       0.7212449 0.5804787      1.421091  
1 1 1 -18 9  13 o 171.0200 2.546309  293.0800       8.708711  291.1682       12.22507  295.0497       12.40894  -1.129333      5.092618  
1 1 1 -18 9  14 o 70.39099 1.137453  49.30313       1.594945  52.46910       2.388272  46.75448       2.142822  4.055855       2.274906  
1 1 1 -18 9  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 9  16 o 84.85189 1.180722  69.29922       1.817406  65.83038       2.132037  78.51965       3.475983  -7.457245      2.361444  
1 1 1 -18 9  17 o 19.52705 0.7325322 3.880177       0.2804883 4.258080       0.3739396 3.394036       0.4241236 2.212919       1.465064  
1 1 1 -18 9  18 o 120.5940 1.303170  145.3098       3.139278  149.7788       4.577221  141.3405       4.313707  3.493706       2.606339  
1 1 1 -18 9  19 o 153.0976 1.627204  234.3364       4.976816  228.3364       6.846227  241.0603       7.247461  -4.145554      3.254407  
1 1 1 -18 9  20 o 26.94521 0.6042975 7.247909       0.3253503 7.638249       0.4719911 6.894525       0.4490922 1.379848       1.208595  
1 1 1 -18 9  21 o 161.7278 1.715274  261.7816       5.545776  257.6546       7.709074  266.2083       7.983974  -2.636810      3.430548  
1 1 1 -18 9  22 o 132.4790 1.423829  175.6679       3.772360  174.4955       5.302659  176.8693       5.367782  -0.8943329     2.847659  
1 1 1 -18 9  23 o 70.08381 0.8358935 48.71085       1.164652  45.46954       1.547552  52.94441       1.768632  -5.329285      1.671787  
1 1 1 -18 9  24 o 37.99994 0.6275494 14.43471       0.4767056 14.70735       0.6871468 14.18175       0.6618896 0.6912498      1.255099  
1 1 1 -18 9  25 o 68.98742 0.8274594 47.25418       1.135748  51.05990       1.716034  44.28770       1.515055  4.904510       1.654919  
1 1 1 -18 9  26 o 81.98923 0.9430804 66.74710       1.537472  71.91288       2.331090  62.76980       2.045434  5.569214       1.886161  
1 1 1 -18 9  27 o 82.55261 0.9484435 68.12273       1.564672  69.95453       2.268517  66.46051       2.160960  2.113472       1.896887  
1 1 1 -18 9  28 f 30.43792 0.6136081 9.226502       0.3718920 8.077898       0.5092419 10.53911       0.5443846 -4.042347      1.227216  
1 1 1 -18 9  29 o 118.5648 1.292535  140.7903       3.064867  141.2831       4.356237  140.3073       4.312840  0.4096603      2.585069  
1 1 1 -18 9  30 o 28.53765 0.6317113 8.113574       0.3594655 8.564862       0.5340835 7.739843       0.4860295 1.444450       1.263423  
1 1 1 -18 9  31 o 51.53106 0.6998849 26.56948       0.7212876 26.38717       1.022116  26.75032       1.018006  -0.3524742     1.399770  
1 1 1 -18 9  32 f 141.9321 1.524087  201.3297       4.314333  193.3241       5.845592  210.9080       6.394001  -6.158310      3.048174  
1 1 1 -18 9  33 o 45.57330 0.6826698 20.78471       0.6220888 20.61885       0.8871872 20.94514       0.8725287 -0.3584404     1.365340  
1 1 1 -18 9  34 o 42.81191 0.6647600 18.22116       0.5669624 19.67377       0.8490466 17.05217       0.7616639 3.058998       1.329520  
1 1 1 -18 9  35 o 39.12827 0.6551615 15.24591       0.5111679 16.26247       0.7597642 14.40520       0.6909299 2.370995       1.310323  
1 1 1 -18 9  36 o 32.21718 0.8384876 9.956308       0.4902521 9.406968       0.5747436 11.42361       0.9393192 -3.113388      1.676975  
1 1 1 -18 9  37 o 10.28946 1.618144  1.080920       0.2982399 1.081504       0.3479337 1.079301       0.5790770 0.1967411      3.236288  
1 1 1 -18 9  38 o 63.55049 1.071924  40.17384       1.324448  39.24365       1.676816  41.71676       2.159584  -1.912880      2.143849  
1 1 1 -18 9  39 o 62.66486 1.163175  38.77569       1.444695  35.07158       1.894196  43.92684       2.233751  -7.037792      2.326350  
1 1 1 -18 9  40 o 89.10340 1.469839  79.73878       2.619291  80.13522       3.719850  79.34893       3.688818  0.4379578      2.939677  
1 1 1 -18 9  41 o 10.35271 1.991203  1.019088       0.4408039 1.694560       0.6899371 0.5531769      0.5730039 4.722383       3.982406  
1 1 1 -18 9  42 o 59.32851 1.141435  35.28021       1.353554  36.15853       1.956547  34.47401       1.874516  1.411533       2.282870  
1 1 1 -18 9  43 o 67.08262 1.223203  45.18467       1.641088  45.25008       2.327949  45.12004       2.313814  0.9524536E-01  2.446405  
1 1 1 -18 9  44 o 45.10353 1.066675  20.41496       0.9620144 20.22018       1.370549  20.60412       1.350657  -0.4278374     2.133351  
1 1 1 -18 9  45 o 97.00491 1.591174  94.79893       3.086138  93.25073       4.301764  96.44081       4.429975  -1.621902      3.182348  
1 1 1 -18 9  46 o 63.16116 1.204625  40.01605       1.519925  41.53246       2.216023  38.66899       2.088625  2.248562       2.409249  
1 1 1 -18 9  47 o 21.24799 1.236988  4.616074       0.5062060 4.239177       0.8175635 4.850392       0.6446336 -1.465345      2.473976  
1 1 1 -18 9  48 o 36.12640 0.9476714 13.00020       0.6260891 13.33320       1.154364  12.86143       0.7452185 0.6013908      1.895343  
1 1 1 -18 9  49 o 73.54314 1.144407  54.07711       1.564928  55.16618       2.796536  53.58059       1.888262  0.9330444      2.288815  
1 1 1 -18 9  50 o 55.58749 1.004587  30.81091       1.031023  31.59753       1.868975  30.46682       1.236127  0.9252930      2.009173  
1 1 1 -18 9  51 o 47.63069 0.9833305 22.88557       0.8647360 22.52953       1.551615  23.04597       1.041471  -0.6216278     1.966661  
1 1 1 -18 9  52 o 49.77995 0.8579745 25.02985       0.8486477 22.81309       1.234363  27.01693       1.168668  -4.232288      1.715949  
1 1 1 -18 9  53 f 44.62026 0.9844956 20.25149       0.8619771 18.57926       1.322864  21.48536       1.136328  -3.288788      1.968991  
1 1 1 -18 9  54 o 13.49319 2.577697  1.794446       0.6021578 2.170865       1.370030  1.704319       0.6703810 1.604599       5.155394  
1 1 1 -18 9  55 o 11.79758 2.357011  1.362123       0.5595449 1.917650       0.9689863 1.084210       0.6853612 3.147340       4.714022  
1 1 1 -18 9  56 o 15.55370 1.993306  2.367338       0.5887779 3.137576       1.005003  1.964833       0.7265079 3.865226       3.986612  
1 1 1 -18 9  57 o 29.98786 1.293517  9.037733       0.7598216 9.336740       1.211399  8.843806       0.9755848 0.7535477      2.587034  
1 1 1 -18 9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 10 1  o 143.7719 2.189120  206.3045       6.275216  197.7138       8.483200  216.6857       9.325466  -6.572449      4.378241  
1 1 1 -18 10 2  o 310.4279 4.604649  970.4108       28.56461  993.4195       41.41570  949.5354       39.44894  6.947693       9.209298  
1 1 1 -18 10 3  o 150.3672 2.276691  225.6823       6.825986  236.9872       10.13963  216.3127       9.231020  6.847931       4.553382  
1 1 1 -18 10 4  o 126.5506 1.942815  159.3526       4.892534  170.1208       7.378103  150.9014       6.536302  7.572868       3.885630  
1 1 1 -18 10 5  o 94.25151 1.506687  88.88886       2.839846  89.95374       4.052680  87.86154       3.980588  1.108543       3.013375  
1 1 1 -18 10 6  o 263.3563 2.755912  694.7184       14.50336  711.2036       21.03633  679.7833       20.02287  5.930878       5.511824  
1 1 1 -18 10 7  o 190.6302 2.006395  363.8928       7.649337  365.5851       10.87084  362.2330       10.76552  0.8766327      4.012789  
1 1 1 -18 10 8  o 186.8788 1.968743  348.4254       7.335295  365.2159       10.90181  334.5357       9.915534  8.184723       3.937487  
1 1 1 -18 10 9  o 145.7454 1.898301  211.5691       5.185945  215.8730       9.131862  209.5204       6.300500  2.113998       3.796602  
1 1 1 -18 10 10 o 137.8435 2.068622  190.1246       5.698559  194.4212       8.254327  186.2120       7.876876  2.967987       4.137244  
1 1 1 -18 10 11 o 126.1888 1.906089  158.3273       4.782714  149.7478       6.366374  169.4424       7.246292  -7.782448      3.812177  
1 1 1 -18 10 12 f 125.2208 1.889034  156.9245       4.728951  154.3325       6.574385  159.7034       6.807180  -2.138908      3.778068  
1 1 1 -18 10 13 o 49.37648 0.7947358 23.04957       0.7205729 21.22956       0.8483930 27.76169       1.365113  -6.609192      1.589472  
1 1 1 -18 10 14 o 116.6898 1.264717  136.1781       2.950375  138.6277       4.246641  133.8925       4.102036  2.026421       2.529434  
1 1 1 -18 10 15 o 167.0236 2.514975  279.6610       8.400542  277.8983       11.79260  281.4769       11.96971  -1.064896      5.029950  
1 1 1 -18 10 16 o 68.94704 0.8196154 47.48791       1.129236  49.02306       1.638896  46.10036       1.558125  2.118523       1.639231  
1 1 1 -18 10 17 o 121.2719 1.310472  147.1119       3.177339  149.6077       4.567552  144.7719       4.422816  1.990829       2.620944  
1 1 1 -18 10 18 o 106.8231 1.171235  114.1681       2.502017  113.2816       3.507243  115.0867       3.570375  -0.8437195     2.342470  
1 1 1 -18 10 19 o 112.3286 1.224202  126.1369       2.747986  123.2990       3.794694  129.2661       3.984746  -2.652267      2.448404  
1 1 1 -18 10 20 o 189.0974 1.993683  358.0644       7.536278  352.0140       10.46279  364.5880       10.86436  -3.310898      3.987365  
1 1 1 -18 10 21 f 146.6740 1.564868  215.4035       4.590352  214.3314       6.459588  216.4972       6.524374  -0.7364349     3.129737  
1 1 1 -18 10 22 o 38.75742 0.6312567 14.65125       0.4830906 17.68630       0.7585575 12.58036       0.6265896 6.585323       1.262513  
1 1 1 -18 10 23 o 83.95757 0.9567643 70.52928       1.606551  70.56543       2.273263  70.49322       2.270752  0.4295349E-01  1.913529  
1 1 1 -18 10 24 o 44.01369 0.6477470 18.81036       0.5610391 22.76499       0.8963076 16.26273       0.7194033 7.383934       1.295494  
1 1 1 -18 10 25 f 46.50798 0.6624916 21.48471       0.6137540 23.36691       0.9196669 19.97326       0.8241292 3.646843       1.324983  
1 1 1 -18 10 26 o 104.4699 1.152061  108.9057       2.401148  104.5748       3.260135  114.0404       3.549800  -4.520790      2.304121  
1 1 1 -18 10 27 o 56.31118 0.7292145 31.59589       0.8189756 33.40130       1.214623  30.09086       1.108985  2.936996       1.458429  
1 1 1 -18 10 28 o 79.70432 0.9236793 63.22898       1.466616  59.86634       1.970695  67.40338       2.195720  -4.721191      1.847359  
1 1 1 -18 10 29 o 96.19884 1.077688  92.19167       2.065504  97.67072       3.088430  87.75788       2.778255  5.140648       2.155376  
1 1 1 -18 10 30 o 16.81416 0.7784298 2.832801       0.2614249 2.708333       0.3734627 2.952390       0.3660694 -0.7259750     1.556860  
1 1 1 -18 10 31 o 47.81285 0.6847779 22.51892       0.6494920 20.04350       0.8552662 25.89132       0.9982660 -6.111031      1.369556  
1 1 1 -18 10 32 o 100.1413 1.116418  100.2964       2.233562  97.45695       3.073183  103.4757       3.251852  -2.996025      2.232835  
1 1 1 -18 10 33 o 18.94382 0.7448516 3.541530       0.2798270 4.255792       0.4224845 2.983302       0.3734979 3.356848       1.489703  
1 1 1 -18 10 34 o 38.35907 0.7146168 14.70939       0.5445898 14.59127       0.7279040 14.85956       0.8207629 -0.3462982     1.429234  
1 1 1 -18 10 35 o 59.10713 0.7667836 34.76667       0.9030831 37.26730       1.350095  32.74182       1.214884  3.822594       1.533567  
1 1 1 -18 10 36 o 43.73112 0.6763296 19.13239       0.5912490 19.31447       0.8511275 18.96258       0.8219407 0.4012070      1.352659  
1 1 1 -18 10 37 o 44.71057 0.6940188 19.96598       0.6198518 20.85453       0.9041709 19.17811       0.8514118 1.872433       1.388038  
1 1 1 -18 10 38 o 37.06365 0.6662726 13.73913       0.4937044 14.14799       0.7099205 13.35619       0.6870481 1.067093       1.332545  
1 1 1 -18 10 39 o 80.81255 0.9512520 65.35963       1.536240  66.98793       2.226681  63.88052       2.122223  1.915573       1.902504  
1 1 1 -18 10 40 o 16.25115 0.9258069 2.651577       0.2945462 3.409841       0.4295801 1.978800       0.4046402 4.401090       1.851614  
1 1 1 -18 10 41 o 56.33998 0.7681461 31.77749       0.8654131 31.10799       1.212080  32.47371       1.236029  -1.210468      1.536292  
1 1 1 -18 10 42 o 57.25061 0.7794551 32.66221       0.8895432 34.85242       1.325383  30.86693       1.199956  3.471535       1.558910  
1 1 1 -18 10 43 o 41.88805 0.7068431 17.53922       0.5913890 18.18549       0.8636608 16.96868       0.8114768 1.448624       1.413686  
1 1 1 -18 10 44 o 72.58547 0.8971588 52.74182       1.301283  51.10752       1.795096  54.55173       1.889083  -2.363449      1.794318  
1 1 1 -18 10 45 o 66.80759 0.8568177 44.73356       1.144749  44.04071       1.607998  45.44555       1.630066  -1.049202      1.713635  
1 1 1 -18 10 46 o 36.93504 0.7245094 13.67416       0.5349081 13.22777       0.7591891 14.11423       0.7537884 -1.200523      1.449019  
1 1 1 -18 10 47 o 6.580870 1.713432  0.3459564      0.2959575 0.3638456      0.4368095 0.3307748      0.4023991 0.2868447      3.426863  
1 1 1 -18 10 48 o 47.61917 0.7581859 22.72887       0.7219903 22.58191       1.027340  22.87228       1.014871  -0.3061905     1.516372  
1 1 1 -18 10 49 o 77.66579 0.9650413 60.48048       1.497478  62.05509       2.177412  59.06736       2.062746  1.907288       1.930083  
1 1 1 -18 10 50 o 79.42571 0.9823177 63.29517       1.559675  61.55779       2.165136  65.16918       2.248661  -2.260757      1.964635  
1 1 1 -18 10 51 o 29.36421 0.9040432 8.664127       0.5303891 8.851171       0.7387173 8.465114       0.7619910 0.6610012      1.808086  
1 1 1 -18 10 52 o 28.43906 1.057932  8.217987       0.5907432 6.393666       0.8313268 10.07884       0.8396088 -6.477549      2.115865  
1 1 1 -18 10 53 o 30.80682 1.425799  9.665874       0.8634818 10.03957       1.135042  9.152475       1.330386  1.490820       2.851598  
1 1 1 -18 10 54 o 7.696382 3.242578  0.9826358E-01  0.8523939 0.9826358E-01  0.8523939 ?              ?         ?              ?         
1 1 1 -18 10 55 o 25.00411 2.217041  6.345955       1.108703  6.345955       1.108703  ?              ?         ?              ?         
1 1 1 -18 10 56 o 8.228024 3.446429  0.1641777      0.9536751 0.1641777      0.9536751 ?              ?         ?              ?         
1 1 1 -18 10 57 o 42.92134 1.802777  18.62036       1.547552  18.62036       1.547552  ?              ?         ?              ?         
1 1 1 -18 10 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 11 1  f 58.25235 1.107932  33.65199       1.284363  37.03759       1.938071  31.00078       1.715038  5.177673       2.215864  
1 1 1 -18 11 2  o 187.1853 2.805783  351.4846       10.50097  347.0237       14.64113  356.2103       15.06934  -2.435120      5.611566  
1 1 1 -18 11 3  o 81.32671 1.353317  66.06306       2.198415  68.70173       3.209498  63.73075       3.017439  3.052193       2.706634  
1 1 1 -18 11 4  o 247.2532 3.678408  614.8525       18.18962  612.6880       25.62922  617.0495       25.81985  -0.8714142     7.356817  
1 1 1 -18 11 5  o 167.5312 2.525556  280.9349       8.449682  273.0702       11.57943  289.8925       12.35782  -4.991516      5.051113  
1 1 1 -18 11 6  o 170.6552 3.636003  0.000000       0.000000  ?              ?         292.0306       12.41006  ?              ?         
1 1 1 -18 11 7  o 81.23819 1.267649  65.88867       2.055880  68.44296       3.019186  63.68037       2.807274  2.927330       2.535298  
1 1 1 -18 11 8  o 292.8882 4.337240  864.2975       25.40166  873.6265       36.35028  855.3943       35.51116  3.059448       8.674480  
1 1 1 -18 11 9  o 211.0132 3.127637  447.0667       13.19936  446.0810       18.62443  448.0613       18.70929  -0.4653625     6.255274  
1 1 1 -18 11 10 o 68.44795 0.9772187 47.15094       1.286020  47.91556       1.617212  45.83578       2.120968  1.526443       1.954437  
1 1 1 -18 11 11 o 200.1976 2.104692  401.4892       8.426102  405.0626       12.02718  398.0445       11.80845  1.745880       4.209384  
1 1 1 -18 11 12 o 177.4024 1.873056  314.3178       6.629902  303.2760       9.012178  327.3424       9.787992  -6.760742      3.746112  
1 1 1 -18 11 13 o 107.4085 1.177016  115.4275       2.528268  114.6975       3.551466  116.1776       3.600050  -0.6881104     2.354031  
1 1 1 -18 11 14 o 88.61783 0.9981872 77.68100       1.754114  72.21033       2.306180  85.19045       2.701947  -7.317390      1.996374  
1 1 1 -18 11 15 o 95.13441 1.529049  90.60254       2.909227  90.68066       4.100437  90.52336       4.128242  0.8335876E-01  3.058098  
1 1 1 -18 11 16 f 42.06457 0.6293581 17.64969       0.5286767 18.58585       0.7740144 16.83099       0.7238297 2.085396       1.258716  
1 1 1 -18 11 17 o 59.11601 0.7455211 34.90717       0.8806487 36.08601       1.279092  33.84475       1.214284  1.894817       1.491042  
1 1 1 -18 11 18 o 72.80174 0.8571500 52.69948       1.242935  49.65574       1.668332  56.49636       1.863343  -4.695091      1.714300  
1 1 1 -18 11 19 o 90.15076 1.015215  80.79772       1.821579  76.36017       2.435494  86.43178       2.744261  -5.579849      2.030430  
1 1 1 -18 11 20 o 130.3259 1.403235  170.0171       3.656980  168.4091       5.117794  171.6948       5.227450  -1.257294      2.806469  
1 1 1 -18 11 21 o 71.67517 0.9181668 51.49123       1.312224  46.76832       1.852118  56.25153       1.859433  -6.615257      1.836334  
1 1 1 -18 11 22 o 100.6059 1.113689  101.2980       2.240862  100.9837       3.163371  101.6145       3.174774  -0.3131790     2.227377  
1 1 1 -18 11 23 o 95.45599 1.066307  91.12121       2.034525  89.21478       2.819621  93.19186       2.938569  -2.079994      2.132614  
1 1 1 -18 11 24 f 81.20149 0.9342953 65.88554       1.515665  67.95799       2.206825  64.03506       2.085284  2.412407       1.868591  
1 1 1 -18 11 25 o 100.1580 1.111691  99.68093       2.214162  93.92213       2.947304  107.1418       3.354702  -6.585609      2.223382  
1 1 1 -18 11 26 o 18.12764 0.7398289 3.325308       0.2606321 2.382507       0.3621424 4.338367       0.3753935 -5.394375      1.479658  
1 1 1 -18 11 27 f 80.41501 0.9300789 64.22936       1.487681  60.30851       1.982218  69.28627       2.251145  -5.573647      1.860158  
1 1 1 -18 11 28 o 44.13183 0.6568825 19.25982       0.5763493 17.33280       0.7667689 21.76265       0.8738509 -5.016335      1.313765  
1 1 1 -18 11 29 o 41.71361 0.6459838 17.32692       0.5376577 16.03039       0.7322297 18.84379       0.7920097 -3.370686      1.291968  
1 1 1 -18 11 30 o 98.42258 1.098736  96.28704       2.150344  90.64323       2.861567  103.6082       3.259171  -6.566933      2.197471  
1 1 1 -18 11 31 o 47.35561 0.6834337 22.44071       0.6472135 22.32442       0.9209360 22.55420       0.9097625 -0.2429619     1.366867  
1 1 1 -18 11 32 o 94.97490 1.070373  89.79315       2.023968  84.89989       2.710659  95.95851       3.042669  -5.804588      2.140746  
1 1 1 -18 11 33 o 68.79184 1.159310  47.31424       1.592541  49.18643       2.332497  45.67937       2.179651  2.539833       2.318619  
1 1 1 -18 11 34 o 29.11633 0.6505290 8.457001       0.3781542 8.927205       0.5552923 8.050349       0.5164043 1.504406       1.301058  
1 1 1 -18 11 35 f 16.72535 0.8236914 2.826173       0.2730051 2.500961       0.3974160 3.116776       0.3756757 -1.841979      1.647383  
1 1 1 -18 11 36 o 39.42558 0.6632406 15.55634       0.5229626 15.48944       0.7408350 15.62279       0.7383329 -0.1692238     1.326481  
1 1 1 -18 11 37 o 103.5848 1.157083  107.5590       2.396657  108.7359       3.430028  106.4363       3.350153  1.103508       2.314166  
1 1 1 -18 11 38 f 63.04934 0.8058112 39.80429       1.016057  39.75671       1.444322  39.85090       1.429635  -0.7553482E-01 1.611622  
1 1 1 -18 11 39 o 20.56769 0.8098220 4.265996       0.3290607 3.483938       0.4632637 5.062386       0.4674894 -3.836933      1.619644  
1 1 1 -18 11 40 o 58.12502 0.8533268 33.76401       0.9734952 34.25826       1.537069  33.43295       1.257958  0.6897888      1.706654  
1 1 1 -18 11 41 o 40.28552 0.9560469 15.75607       0.7347829 17.94957       1.277042  14.67049       0.8983917 4.036186       1.912094  
1 1 1 -18 11 42 f 72.92673 0.9030756 53.15540       1.315036  50.62392       1.798360  56.06462       1.927871  -3.718201      1.806151  
1 1 1 -18 11 43 o 48.48785 0.7484006 23.55615       0.7253905 23.35628       1.040259  23.74532       1.012037  -0.4034195     1.496801  
1 1 1 -18 11 44 o 69.76971 0.8846993 48.76555       1.234042  47.34545       1.717729  50.28028       1.774031  -2.097504      1.769399  
1 1 1 -18 11 45 o 68.36760 0.8788365 46.85814       1.201153  47.17354       1.726944  46.56256       1.671772  0.4408417      1.757673  
1 1 1 -18 11 46 o 70.24780 0.8929479 49.41578       1.252686  50.88485       1.831841  48.12532       1.716873  1.950493       1.785896  
1 1 1 -18 11 47 o 10.10909 1.687728  1.024107       0.3378634 1.474226       0.5282733 0.7125524      0.4395030 3.551586       3.375456  
1 1 1 -18 11 48 o 37.42398 0.7716174 14.07413       0.5760968 13.16334       0.8241639 14.94436       0.8056010 -2.381584      1.543235  
1 1 1 -18 11 49 o 34.01875 0.7843406 11.60143       0.5305724 11.61747       0.7943123 11.58850       0.7129498 0.3300858E-01  1.568681  
1 1 1 -18 11 50 o 34.28228 0.8013657 11.77464       0.5475580 11.95416       0.8114130 11.62453       0.7419665 0.4713745      1.602731  
1 1 1 -18 11 51 o 49.55563 0.8735597 24.64200       0.8482837 24.69619       1.341779  24.60592       1.094844  0.5324173E-01  1.747119  
1 1 1 -18 11 52 o 46.09589 1.103204  21.23782       1.009494  22.50410       1.540892  20.28565       1.336174  2.365612       2.206407  
1 1 1 -18 11 53 o 12.37026 2.163949  1.488179       0.5295402 2.341438       0.8814639 1.006340       0.6623920 4.955503       4.327899  
1 1 1 -18 11 54 o 45.22592 1.128839  20.26760       1.003727  22.39313       1.601569  18.89276       1.288071  3.797291       2.257678  
1 1 1 -18 11 55 o 15.30219 1.941872  2.419243       0.5563684 2.505379       0.9333380 2.371764       0.6929435 0.4956627E-01  3.883745  
1 1 1 -18 11 56 o 31.01067 1.264746  9.808467       0.7723001 9.114415       1.176068  10.33468       1.024040  -2.010876      2.529492  
1 1 1 -18 11 57 o 55.02640 1.513920  30.78588       1.522662  30.71742       2.785853  30.81505       1.818291  -0.4447250     3.027840  
1 1 1 -18 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 12 1  f 162.7602 2.457696  265.4913       7.994173  260.0143       11.04979  271.5062       11.57976  -3.506714      4.915393  
1 1 1 -18 12 2  o 133.6290 2.048850  178.2827       5.459201  171.0392       7.384360  187.0135       8.107108  -5.951279      4.097700  
1 1 1 -18 12 3  o 119.2115 2.621076  0.000000       0.000000  ?              ?         142.3482       6.249251  ?              ?         
1 1 1 -18 12 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 12 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 12 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 12 7  o 172.8068 2.246594  297.0987       7.243254  293.2370       8.756359  305.4675       12.89045  -3.389191      4.493188  
1 1 1 -18 12 8  o 99.53493 1.097553  99.07938       2.184089  100.8016       3.140823  97.46676       3.039219  1.673409       2.195107  
1 1 1 -18 12 9  f 120.2884 1.299498  144.5247       3.121427  149.6294       4.570376  140.0621       4.273310  3.970474       2.598996  
1 1 1 -18 12 10 o 45.27116 0.6357100 20.46848       0.5750420 21.17456       0.8357530 19.83369       0.7924392 1.480484       1.271420  
1 1 1 -18 12 11 o 61.88675 0.7589372 38.30339       0.9392611 37.86909       1.316498  38.75363       1.340458  -0.7143364     1.517874  
1 1 1 -18 12 12 o 124.2698 1.340571  154.4653       3.330143  151.6966       4.621470  157.4554       4.802830  -2.312943      2.681143  
1 1 1 -18 12 13 o 162.0246 1.718282  262.6479       5.563637  268.9151       8.063647  256.9536       7.686254  3.680008       3.436563  
1 1 1 -18 12 14 f 72.14967 0.8484861 52.02290       1.223473  53.38344       1.771652  50.78249       1.691624  1.801239       1.696972  
1 1 1 -18 12 15 o 171.9103 2.375021  292.6776       7.856610  309.9692       13.19936  283.1899       9.777278  7.635803       4.750042  
1 1 1 -18 12 16 o 90.59704 1.019678  82.11266       1.847358  81.30647       2.587578  82.95074       2.638279  -0.9064331     2.039356  
1 1 1 -18 12 17 o 48.58047 0.6710653 23.12510       0.6443505 26.86136       1.010237  20.56271       0.8366180 6.480240       1.342131  
1 1 1 -18 12 18 o 42.77753 0.6373093 18.25504       0.5445227 17.21109       0.7482697 19.43019       0.7938970 -2.593132      1.274619  
1 1 1 -18 12 19 o 65.24768 0.7949986 42.43046       1.034919  40.40275       1.405060  44.83517       1.530115  -3.394321      1.589997  
1 1 1 -18 12 20 o 82.27672 0.9426216 67.65849       1.549874  65.90423       2.140377  69.59226       2.247230  -2.238800      1.885243  
1 1 1 -18 12 21 o 82.58662 0.9476120 68.24648       1.565135  67.85817       2.201171  68.64355       2.225905  -0.4748840     1.895224  
1 1 1 -18 12 22 o 72.35786 0.8579186 52.30773       1.240327  50.66570       1.708498  54.13752       1.803533  -2.396774      1.715837  
1 1 1 -18 12 23 o 104.9117 1.157930  110.1356       2.428617  108.3325       3.376989  112.0672       3.495228  -1.775764      2.315861  
1 1 1 -18 12 24 o 70.65678 0.8457058 48.91008       1.177397  55.99917       1.870664  44.25945       1.515154  8.297760       1.691412  
1 1 1 -18 12 25 o 64.18295 0.7909271 41.21163       1.015121  41.61765       1.451053  40.82246       1.420626  0.6186600      1.581854  
1 1 1 -18 12 26 o 66.78514 0.8140215 44.62420       1.087196  43.97031       1.525804  45.29858       1.549525  -0.9937668     1.628043  
1 1 1 -18 12 27 o 67.91270 0.8275509 45.72036       1.116806  42.52481       1.480726  49.93668       1.700862  -5.449791      1.655102  
1 1 1 -18 12 28 o 42.73266 0.6569583 18.20923       0.5603312 19.22369       0.8252525 17.34151       0.7632323 2.200504       1.313917  
1 1 1 -18 12 29 o 69.99930 0.8461347 48.14977       1.169378  54.57408       1.841581  43.80935       1.513711  7.676620       1.692269  
1 1 1 -18 12 30 o 20.83511 0.7122256 4.309851       0.2950776 4.652944       0.4473321 4.045567       0.3926083 1.455750       1.424451  
1 1 1 -18 12 31 o 33.36589 0.6543674 10.77277       0.4290864 13.31686       0.6884196 9.156507       0.5487114 6.229874       1.308735  
1 1 1 -18 12 32 o 55.05580 0.7882428 30.37843       0.8667870 31.83723       1.217275  28.87793       1.234551  2.688267       1.576486  
1 1 1 -18 12 33 o 72.16749 0.8699724 51.78990       1.249377  55.55780       1.884635  48.83573       1.668766  4.646988       1.739945  
1 1 1 -18 12 34 o 51.29118 0.7189539 25.89696       0.7296829 29.30338       1.137646  23.51614       0.9510874 5.633759       1.437908  
1 1 1 -18 12 35 o 74.54517 0.8948946 55.48655       1.331768  53.01470       1.817461  58.35279       1.957088  -3.572311      1.789789  
1 1 1 -18 12 36 o 36.17582 0.6779643 12.79424       0.4839956 15.04537       0.7643075 11.28722       0.6253580 5.187656       1.355929  
1 1 1 -18 12 37 o 64.60410 0.8217617 41.79475       1.061730  41.28973       1.500900  42.30059       1.502126  -0.7822723     1.643523  
1 1 1 -18 12 38 o 76.97980 0.9263892 58.64988       1.413398  64.64555       2.183580  54.32637       1.854249  6.678207       1.852778  
1 1 1 -18 12 39 o 12.04756 1.292931  1.500095       0.2957418 1.374351       0.4627331 1.586926       0.3845259 -1.064173      2.585862  
1 1 1 -18 12 40 o 82.34386 0.9756728 67.70879       1.602844  64.34410       2.175267  71.70580       2.370872  -4.452332      1.951346  
1 1 1 -18 12 41 o 72.49828 1.304548  52.73019       1.889297  54.60633       2.754894  51.06431       2.595927  2.421494       2.609096  
1 1 1 -18 12 42 o 71.19135 0.8906192 50.71977       1.267000  48.73149       1.748601  52.91748       1.838385  -2.931458      1.781238  
1 1 1 -18 12 43 o 44.54648 0.7351173 19.85589       0.6538959 20.26089       0.9559709 19.49979       0.8963979 0.8492737      1.470235  
1 1 1 -18 12 44 f 7.294025 1.646532  0.3379839      0.3137297 0.9903367      0.4868442 -0.1253125     0.4102779 4.841513       3.293063  
1 1 1 -18 12 45 f 51.05132 0.7735605 26.02110       0.7869173 27.22824       1.173897  25.03598       1.060466  2.135551       1.547121  
1 1 1 -18 12 46 o 16.55986 1.100798  2.729769       0.3618653 2.956435       0.5538477 2.560935       0.4779990 1.182764       2.201597  
1 1 1 -18 12 47 o 11.33213 1.599813  1.292545       0.3451061 1.664469       0.5520306 1.053935       0.4421610 2.628708       3.199625  
1 1 1 -18 12 48 o 53.96455 0.9857794 28.34995       0.9734706 31.44370       1.825041  27.11973       1.150858  3.909042       1.971559  
1 1 1 -18 12 49 o 39.16021 1.057983  15.17226       0.8174759 16.86286       1.288456  14.03320       1.057599  3.572655       2.115966  
1 1 1 -18 12 50 o 57.55521 1.153138  33.31940       1.325638  31.00379       1.848479  35.77140       1.902142  -4.130890      2.306277  
1 1 1 -18 12 51 o 31.50550 1.154094  10.08824       0.7162250 9.367336       1.089394  10.63708       0.9505364 -2.043409      2.308188  
1 1 1 -18 12 52 o 32.55683 1.150553  10.70033       0.7359888 10.53964       1.149180  10.81208       0.9583157 -0.4602547     2.301106  
1 1 1 -18 12 53 o 28.34851 1.218825  7.896677       0.6746790 9.046603       1.105661  7.214492       0.8516049 3.169214       2.437649  
1 1 1 -18 12 54 o 22.69859 1.410960  5.261551       0.6271315 4.982098       0.9779399 5.456744       0.8173131 -1.095722      2.821920  
1 1 1 -18 12 55 o 23.99691 1.391827  5.734621       0.6522236 6.256166       1.060675  5.417510       0.8270710 1.674992       2.783653  
1 1 1 -18 12 56 f 47.58027 1.158788  22.56935       1.090393  24.64160       1.699211  21.11865       1.421724  3.624813       2.317576  
1 1 1 -18 12 57 o 22.12355 2.009001  4.363792       0.8263983 7.256608       1.551171  3.217318       0.9765208 8.841650       4.018003  
1 1 1 -18 12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 13 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 13 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 13 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 13 4  o 109.1668 2.422745  119.3806       5.289666  119.3806       5.289666  ?              ?         ?              ?         
1 1 1 -18 13 5  o 19.48862 1.321921  3.710390       0.4923176 2.382884       0.6459411 5.550434       0.7604818 -8.123667      2.643842  
1 1 1 -18 13 6  o 48.01625 1.023375  22.97007       0.9797907 21.86454       1.324399  24.30664       1.456231  -2.540260      2.046749  
1 1 1 -18 13 7  o 70.43561 1.237590  49.54837       1.741258  51.80915       2.540879  47.54649       2.390974  3.022202       2.475181  
1 1 1 -18 13 8  o 69.82982 0.8254868 48.56736       1.149229  51.38071       1.709733  46.24864       1.552178  3.672089       1.650974  
1 1 1 -18 13 9  o 154.2831 1.640498  238.3327       5.060858  241.3259       7.250984  235.4897       7.066838  1.885284       3.280996  
1 1 1 -18 13 10 o 52.38550 0.6909550 26.64792       0.7110587 31.82959       1.144931  23.39449       0.9072270 8.047619       1.381910  
1 1 1 -18 13 11 o 14.95261 0.6718659 2.187086       0.1971357 2.891215       0.3022073 1.665534       0.2600927 4.097971       1.343732  
1 1 1 -18 13 12 o 51.86120 0.6843828 26.87483       0.7094302 26.08840       0.9826434 27.73099       1.025286  -1.583019      1.368766  
1 1 1 -18 13 13 o 40.54015 0.6142615 16.43225       0.4979134 15.91986       0.6970243 16.96617       0.7115110 -1.290264      1.228523  
1 1 1 -18 13 14 o 168.3470 1.784450  282.0105       5.973289  301.5784       9.050203  266.9068       7.951127  10.25389       3.568899  
1 1 1 -18 13 15 o 204.8277 3.069275  422.0755       12.57281  419.6741       17.67375  424.5359       17.88948  -1.171646      6.138550  
1 1 1 -18 13 16 o 46.72950 0.6731690 21.62191       0.6256236 19.77261       0.8328671 24.01659       0.9477560 -4.539177      1.346338  
1 1 1 -18 13 17 o 35.03594 0.6105924 12.21005       0.4263999 13.10242       0.6359065 11.48104       0.5747601 2.312969       1.221185  
1 1 1 -18 13 18 o 153.3911 1.633855  235.6569       5.010765  232.3533       6.980877  239.1678       7.196630  -2.212128      3.267710  
1 1 1 -18 13 19 o 120.3731 1.306648  144.3833       3.133343  152.7582       4.687757  137.6200       4.212654  6.270874       2.613296  
1 1 1 -18 13 20 o 105.4829 1.163616  110.7572       2.443600  105.1725       3.272883  117.7916       3.673202  -5.967781      2.327231  
1 1 1 -18 13 21 o 61.13894 0.7660844 37.23997       0.9344006 35.21383       1.267666  39.65051       1.382699  -3.625580      1.532169  
1 1 1 -18 13 22 o 59.92292 0.7652693 35.78143       0.9146432 34.05288       1.238965  37.85178       1.355936  -3.166859      1.530539  
1 1 1 -18 13 23 o 156.0255 1.662963  244.0688       5.188995  245.5227       7.385672  242.6515       7.291922  0.9148102      3.325926  
1 1 1 -18 13 24 o 45.95949 0.6710188 21.09281       0.6162117 20.14952       0.8498728 22.13840       0.8947693 -2.162674      1.342038  
1 1 1 -18 13 25 o 44.76774 0.6628949 19.65915       0.5865691 22.66564       0.9196080 17.59697       0.7616165 5.657001       1.325790  
1 1 1 -18 13 26 o 69.07660 0.8337069 47.63445       1.150015  45.63762       1.573750  49.92260       1.684641  -3.097633      1.667414  
1 1 1 -18 13 27 o 93.71867 1.056077  87.79266       1.976745  85.01921       2.710571  90.94333       2.889036  -3.152122      2.112154  
1 1 1 -18 13 28 o 49.91110 0.7002447 24.60164       0.6941532 22.13743       0.9185668 27.88245       1.059893  -5.750671      1.400489  
1 1 1 -18 13 29 o 15.48286 0.8586223 2.367303       0.2640512 2.708077       0.4024881 2.109811       0.3498666 1.929830       1.717245  
1 1 1 -18 13 30 o 90.23584 1.433095  79.84602       2.540705  91.25301       4.079850  72.61990       3.247218  10.26299       2.866191  
1 1 1 -18 13 31 o 7.508431 1.538611  0.5740637      0.2421564 0.5942268      0.3731141 0.5593896      0.3183018 0.2810135      3.077222  
1 1 1 -18 13 32 o 72.92876 0.8790087 52.84545       1.274997  56.99852       1.930246  49.63090       1.698198  5.039864       1.758017  
1 1 1 -18 13 33 o 46.99382 0.6966622 22.07968       0.6544112 21.14684       0.9099150 23.07918       0.9418661 -2.054619      1.393324  
1 1 1 -18 13 34 o 43.67218 0.6886012 18.68371       0.5939922 21.75148       0.9342374 16.60208       0.7695693 5.887829       1.377202  
1 1 1 -18 13 35 o 62.77811 0.8060217 39.29369       1.009468  37.15744       1.369484  41.83540       1.493812  -3.718765      1.612043  
1 1 1 -18 13 36 o 96.26742 1.092041  92.84131       2.101666  90.91339       2.920647  94.91164       3.026592  -2.068222      2.184082  
1 1 1 -18 13 37 f 66.91946 0.8403770 44.85199       1.124527  44.98352       1.607535  44.72594       1.573649  0.1901398      1.680754  
1 1 1 -18 13 38 o 66.89352 0.8451510 44.82577       1.130663  44.35556       1.597773  45.29741       1.600228  -0.7038116     1.690302  
1 1 1 -18 13 39 o 75.59184 0.9179414 57.12855       1.385728  54.74653       1.897624  59.85000       2.028329  -3.364357      1.835883  
1 1 1 -18 13 40 o 81.40588 0.9733309 66.45314       1.584687  66.32403       2.243737  66.58164       2.238443  -0.1587677     1.946662  
1 1 1 -18 13 41 f 74.75551 0.9174746 56.02902       1.371641  55.58600       1.945323  56.46704       1.934309  -0.5903625     1.834949  
1 1 1 -18 13 42 f 51.30520 0.7656019 26.36915       0.7846714 26.43375       1.138141  26.31063       1.083276  0.1151772      1.531204  
1 1 1 -18 13 43 f 66.25566 0.8578257 43.84277       1.133125  46.03078       1.684703  42.03524       1.531229  2.999077       1.715651  
1 1 1 -18 13 44 o 61.51923 0.8282576 37.64146       1.013110  40.65310       1.536767  35.32647       1.347353  4.308575       1.656515  
1 1 1 -18 13 45 o 49.04807 0.9349277 24.61880       0.8763621 22.41636       1.437495  25.92157       1.105577  -3.614681      1.869855  
1 1 1 -18 13 46 f 61.69193 1.155630  38.09162       1.422620  35.39372       1.937349  41.24872       2.095751  -4.719082      2.311260  
1 1 1 -18 13 47 o 67.23630 1.221620  45.46651       1.642249  43.96780       2.296699  47.03447       2.349172  -2.271065      2.443240  
1 1 1 -18 13 48 o 31.08763 0.9437953 9.741105       0.5808297 9.984640       0.7739328 9.427051       0.8788723 0.9128170      1.887591  
1 1 1 -18 13 49 o 34.18777 0.8067634 11.64588       0.5485318 12.45398       0.8301939 11.01975       0.7307656 2.083477       1.613527  
1 1 1 -18 13 50 o 31.56506 0.9257187 9.870549       0.5737509 10.69921       0.9167985 9.337066       0.7356087 2.127958       1.851437  
1 1 1 -18 13 51 o 29.55357 1.171815  8.864723       0.6828641 8.359151       1.040181  9.247638       0.9052491 -1.532789      2.343630  
1 1 1 -18 13 52 o 37.50800 1.127785  14.21845       0.8367521 13.82027       1.271457  14.52265       1.111334  -0.9721870     2.255570  
1 1 1 -18 13 53 o 29.08263 1.203312  8.390993       0.6819571 9.157082       1.115844  7.934247       0.8615915 2.035089       2.406624  
1 1 1 -18 13 54 o 31.50308 1.231657  10.11726       0.7628323 9.416965       1.168601  10.63723       1.006969  -1.980289      2.463314  
1 1 1 -18 13 55 o 15.77655 1.902765  2.441085       0.5695937 3.151186       0.9737723 2.071760       0.7022657 3.503976       3.805531  
1 1 1 -18 13 56 o 19.18536 1.711901  3.925332       0.6212269 3.129476       0.9929417 4.437222       0.7963329 -3.489815      3.423802  
1 1 1 -18 13 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 14 1  o 74.83872 1.812346  56.07808       2.712673  56.07808       2.712673  ?              ?         ?              ?         
1 1 1 -18 14 2  o 79.12921 1.337137  62.69054       2.116036  63.37507       3.009326  62.02109       2.976006  0.8543930      2.674274  
1 1 1 -18 14 3  o 115.0904 1.799791  132.7419       4.142179  131.5748       5.799650  133.9570       5.917994  -1.029541      3.599583  
1 1 1 -18 14 4  o 43.43600 1.006939  18.19258       0.8579636 15.34098       1.092256  22.78652       1.386349  -8.563396      2.013878  
1 1 1 -18 14 5  o 74.78772 1.286216  55.93292       1.922116  54.61320       2.651240  57.39511       2.790682  -1.855515      2.572431  
1 1 1 -18 14 6  o 117.1272 1.827134  136.9462       4.266163  131.0846       5.760330  144.0673       6.349081  -5.516273      3.654268  
1 1 1 -18 14 7  o 76.87163 1.309947  58.98721       2.010370  62.04789       2.952929  56.34303       2.744666  3.704117       2.619894  
1 1 1 -18 14 8  o 66.77180 1.010224  44.99990       1.261838  43.51918       2.200666  45.72517       1.540173  -1.667519      2.020447  
1 1 1 -18 14 9  o 146.7954 1.565929  215.5875       4.592852  221.4048       6.676403  210.3613       6.328128  3.748444       3.131859  
1 1 1 -18 14 10 f 56.58830 0.7219864 31.47007       0.8078896 35.79529       1.263793  28.48114       1.050582  6.458866       1.443973  
1 1 1 -18 14 11 o 80.18353 0.9250631 64.31393       1.483034  63.64284       2.067413  65.02531       2.128578  -0.8606720     1.850126  
1 1 1 -18 14 12 f 43.63736 0.6351306 18.80505       0.5504687 16.99783       0.7282375 21.21413       0.8407997 -4.829281      1.270261  
1 1 1 -18 14 13 o 161.2759 1.714116  260.1976       5.521020  268.8539       8.071274  252.5856       7.568736  5.021423       3.428232  
1 1 1 -18 14 14 f 204.1376 2.149981  418.0947       8.776387  422.3669       12.54883  414.0042       12.27894  2.032776       4.299961  
1 1 1 -18 14 15 f 117.8317 1.837641  138.4176       4.311510  147.3723       6.475084  131.2849       5.778920  6.790855       3.675282  
1 1 1 -18 14 16 o 147.0746 1.571226  216.7251       4.621334  215.0555       6.483428  218.4495       6.588956  -1.149017      3.142453  
1 1 1 -18 14 17 o 91.25966 1.026828  83.35883       1.874152  83.26601       2.646493  83.45224       2.654429  -0.1017838     2.053655  
1 1 1 -18 14 18 o 154.9979 1.652282  240.4010       5.114345  248.4228       7.482256  233.3666       7.006695  4.831818       3.304563  
1 1 1 -18 14 19 o 135.8202 1.460056  184.8384       3.966097  185.0156       5.614791  184.6618       5.603044  0.1296997      2.920112  
1 1 1 -18 14 20 o 166.8440 1.772846  278.9274       5.910817  272.8406       8.161514  285.6417       8.571891  -3.811691      3.545692  
1 1 1 -18 14 21 o 114.7041 1.253993  131.6276       2.874180  128.5434       3.965010  135.0428       4.172318  -2.824089      2.507986  
1 1 1 -18 14 22 o 134.3701 1.446797  180.9368       3.887960  179.9471       5.467957  181.9488       5.529369  -0.7415924     2.893595  
1 1 1 -18 14 23 o 72.69632 0.8640234 52.83428       1.255198  54.27294       1.820293  51.53008       1.733147  1.883476       1.728047  
1 1 1 -18 14 24 f 114.9567 1.257605  132.3135       2.889809  129.7181       4.007267  135.1257       4.171279  -2.343056      2.515209  
1 1 1 -18 14 25 f 84.06375 0.9680022 70.66524       1.626105  68.75576       2.244231  72.77573       2.359410  -2.386009      1.936004  
1 1 1 -18 14 26 o 67.90437 0.8280744 46.13063       1.124340  45.11191       1.570128  47.20275       1.610763  -1.537994      1.656149  
1 1 1 -18 14 27 o 67.38457 0.8271775 45.43635       1.114467  45.96706       1.598596  44.93449       1.554518  0.7644119      1.654355  
1 1 1 -18 14 28 o 68.35672 1.144653  46.74346       1.563561  45.09401       2.157513  48.56798       2.269125  -2.534538      2.289306  
1 1 1 -18 14 29 o 63.77082 0.8035726 40.69786       1.024770  40.09861       1.436052  41.31966       1.462806  -0.9562263     1.607145  
1 1 1 -18 14 30 f 38.67858 0.6570492 14.92804       0.5071721 15.58748       0.7475858 14.36574       0.6903300 1.577286       1.314098  
1 1 1 -18 14 31 f 35.53285 0.6526618 12.55613       0.4621967 13.59446       0.6897720 11.71003       0.6226579 2.649136       1.305324  
1 1 1 -18 14 32 o 53.59885 0.7337502 28.75737       0.7865219 28.41287       1.112178  29.10204       1.112442  -0.6428757     1.467500  
1 1 1 -18 14 33 o 99.32986 1.118527  98.60671       2.217099  94.64494       3.015723  103.2667       3.270676  -4.319977      2.237053  
1 1 1 -18 14 34 o 62.98274 0.8087679 39.50117       1.015562  37.02118       1.371324  42.51329       1.511301  -4.352070      1.617536  
1 1 1 -18 14 35 o 97.08745 1.100638  94.14909       2.131379  89.93034       2.888098  99.19466       3.158465  -4.748466      2.201276  
1 1 1 -18 14 36 o 49.06168 0.7270282 24.10229       0.7132531 23.53497       1.007507  24.67228       1.009882  -1.158916      1.454056  
1 1 1 -18 14 37 o 44.92391 0.7126638 20.21343       0.6399326 20.00433       0.9182565 20.41089       0.8923042 -0.4541245     1.425328  
1 1 1 -18 14 38 o 79.01495 0.9464529 62.56112       1.495013  63.41328       2.152149  61.76643       2.078320  1.035332       1.892906  
1 1 1 -18 14 39 o 34.69773 0.7226973 11.97302       0.4986152 12.81846       0.7555053 11.32059       0.6636813 2.151535       1.445395  
1 1 1 -18 14 40 o 49.22249 1.128449  24.08887       1.105550  21.61023       1.482416  27.19503       1.659496  -5.651505      2.256897  
1 1 1 -18 14 41 o 29.71955 0.9004024 9.098096       0.4993693 8.156270       0.8562419 9.583570       0.6147438 -2.425695      1.800805  
1 1 1 -18 14 42 o 76.27397 1.293332  58.42922       1.969434  59.93016       2.886741  57.12234       2.693673  1.809731       2.586665  
1 1 1 -18 14 43 o 64.74672 1.165417  42.13800       1.508324  42.02208       2.167360  42.24686       2.100400  -0.1839066     2.330834  
1 1 1 -18 14 44 o 48.25420 1.030380  23.38056       0.9917260 23.37218       1.456703  23.38780       1.353952  -0.3060532E-01 2.060761  
1 1 1 -18 14 45 o 9.658889 1.838700  0.9043241      0.3869020 0.4245637      0.5155670 1.522815       0.5853824 -4.766616      3.677400  
1 1 1 -18 14 46 o 38.11045 0.7674094 14.55752       0.5837875 14.59432       0.8531133 14.52512       0.8005881 0.8485413E-01  1.534819  
1 1 1 -18 14 47 o 59.59132 0.8379360 35.63463       0.9983866 35.11269       1.422231  36.14173       1.401853  -0.8661842     1.675872  
1 1 1 -18 14 48 o 22.57656 0.9444039 5.110573       0.4228825 5.188423       0.6429068 5.051205       0.5614315 0.2904148      1.888808  
1 1 1 -18 14 49 o 8.863192 1.988936  0.7927039      0.3868939 0.7049549      0.6606518 0.8385062      0.4773036 -0.2069101     3.977873  
1 1 1 -18 14 50 o 37.95862 1.076846  14.29451       0.8063163 15.68709       1.270170  13.35453       1.043548  3.026833       2.153692  
1 1 1 -18 14 51 o 42.26070 1.101681  18.03460       0.9269129 16.06046       1.310624  20.01011       1.311081  -4.672863      2.203363  
1 1 1 -18 14 52 o 32.43007 1.142698  10.42477       0.7279506 11.51417       1.164848  9.726684       0.9324580 2.698444       2.285397  
1 1 1 -18 14 53 o 25.97087 1.296752  6.800095       0.6637564 6.906038       1.033691  6.725763       0.8658421 0.2992573      2.593503  
1 1 1 -18 14 54 f 24.63421 1.346479  6.024488       0.6490778 6.689939       1.052151  5.615639       0.8247105 2.109510       2.692958  
1 1 1 -18 14 55 o 55.65649 1.197164  31.27458       1.326684  31.49142       1.974102  31.09599       1.791580  0.3001480      2.394329  
1 1 1 -18 14 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 15 1  o 72.91959 1.275115  53.17129       1.857953  55.17963       2.698330  51.36067       2.562049  2.612900       2.550231  
1 1 1 -18 15 2  o 174.8903 2.645109  307.1816       9.235815  297.7185       12.62158  318.0891       13.55068  -5.744553      5.290217  
1 1 1 -18 15 3  o 75.44908 1.300360  56.52877       1.951259  61.51639       2.956306  52.67868       2.597396  5.841965       2.600720  
1 1 1 -18 15 4  o 83.48917 1.392356  69.82328       2.324857  69.84083       3.274935  69.80546       3.300909  0.2230835E-01  2.784711  
1 1 1 -18 15 5  o 140.6037 2.155867  197.7098       6.042517  189.4741       8.158588  207.7163       8.993043  -6.432037      4.311735  
1 1 1 -18 15 6  o 86.38071 1.430230  74.74705       2.470880  74.97060       3.495702  74.52386       3.493004  0.2584686      2.860461  
1 1 1 -18 15 7  o 194.7081 2.930574  380.8331       11.38511  367.4954       15.47749  396.5597       16.80644  -7.346207      5.861148  
1 1 1 -18 15 8  o 98.57458 1.093363  96.72101       2.146114  102.9118       3.222098  91.78452       2.877225  5.632729       2.186727  
1 1 1 -18 15 9  o 126.2149 1.695762  157.8890       3.947716  155.1060       4.721631  164.3534       7.196115  -3.538330      3.391524  
1 1 1 -18 15 10 o 25.19581 1.113367  6.322436       0.5549771 7.721315       0.8165791 5.121622       0.7565646 5.156954       2.226734  
1 1 1 -18 15 11 o 30.90529 1.024004  9.555303       0.6325275 10.05450       0.9048516 9.078249       0.8845518 1.578787       2.048008  
1 1 1 -18 15 12 o 37.78223 1.009681  13.99627       0.7551108 11.95165       0.9905643 16.83267       1.166700  -6.453808      2.019363  
1 1 1 -18 15 13 o 67.20325 1.030015  44.20575       1.250668  47.53531       2.380827  42.93679       1.469797  3.391663       2.060031  
1 1 1 -18 15 14 f 70.98991 0.9262187 48.47551       1.249807  56.66198       2.199696  44.57291       1.518766  8.493965       1.852437  
1 1 1 -18 15 15 o 163.4794 2.013445  268.2436       6.582449  266.1769       9.229783  270.3827       9.390272  -1.275558      4.026890  
1 1 1 -18 15 16 o 35.02130 0.6072112 12.27194       0.4251247 12.16774       0.6087219 12.37115       0.5939832 -0.2907066     1.214422  
1 1 1 -18 15 17 o 78.57039 0.9117217 61.77036       1.432508  61.01594       2.006594  62.55452       2.045719  -0.9778824     1.823443  
1 1 1 -18 15 18 o 103.3571 1.142838  106.9118       2.361469  108.8120       3.397900  105.1366       3.284243  1.773438       2.285676  
1 1 1 -18 15 19 o 108.4747 1.192910  117.8440       2.587997  118.0899       3.667309  117.6001       3.652696  0.2250900      2.385821  
1 1 1 -18 15 20 o 60.85097 0.7674912 37.00467       0.9333101 35.86884       1.288842  38.25700       1.353317  -1.960308      1.534982  
1 1 1 -18 15 21 o 73.54359 0.8695164 54.08566       1.278021  55.41098       1.850411  52.87680       1.767245  1.719795       1.739033  
1 1 1 -18 15 22 o 70.90977 0.8497052 50.19842       1.202737  52.33608       1.768484  48.35883       1.640564  2.799583       1.699410  
1 1 1 -18 15 23 o 66.01842 0.8105770 43.62170       1.070217  43.56402       1.519801  43.67843       1.507308  -0.8711243E-01 1.621154  
1 1 1 -18 15 24 o 49.14858 0.6907648 24.14780       0.6786740 23.29665       0.9431595 25.06174       0.9773325 -1.794559      1.381530  
1 1 1 -18 15 25 o 23.87496 0.6750985 5.597300       0.3188701 6.449208       0.4976867 5.004065       0.4153104 3.023752       1.350197  
1 1 1 -18 15 26 o 131.6731 2.003303  174.1516       5.270000  169.4973       7.253676  179.3548       7.669509  -3.700302      4.006607  
1 1 1 -18 15 27 o 66.40440 0.8250837 44.12404       1.095490  43.45035       1.527873  44.83681       1.571563  -1.042023      1.650167  
1 1 1 -18 15 28 o 40.04057 0.6663217 16.00038       0.5328357 14.95382       0.7332253 17.17154       0.7756498 -2.767780      1.332643  
1 1 1 -18 15 29 o 71.00594 0.8642976 50.46659       1.227239  49.65473       1.718550  51.31145       1.753121  -1.164886      1.728595  
1 1 1 -18 15 30 o 99.19643 1.114841  98.60516       2.211519  99.29731       3.155362  97.93690       3.100482  0.6818848      2.229683  
1 1 1 -18 15 31 o 69.30930 0.8496642 48.09463       1.177642  47.43338       1.649379  48.78226       1.681973  -0.9711761     1.699328  
1 1 1 -18 15 32 o 38.23372 0.6820853 14.42394       0.5174243 12.28016       0.6894253 17.18891       0.7829643 -6.414936      1.364171  
1 1 1 -18 15 33 o 42.25861 0.6866590 17.84978       0.5796956 16.70544       0.8046610 19.08456       0.8358553 -2.813393      1.373318  
1 1 1 -18 15 34 o 58.20673 0.7777500 33.75196       0.9028831 31.57435       1.222641  36.36386       1.339020  -4.106956      1.555500  
1 1 1 -18 15 35 o 25.28339 0.7421688 6.299255       0.3721405 7.247437       0.5728815 5.607061       0.4894774 3.238720       1.484338  
1 1 1 -18 15 36 o 26.15540 0.7352868 6.838755       0.3827886 6.968374       0.5723886 6.733881       0.5148596 0.4444027      1.470574  
1 1 1 -18 15 37 o 92.84164 1.068830  86.47691       1.984598  86.38450       2.814870  86.56826       2.798492  -0.1007309     2.137660  
1 1 1 -18 15 38 o 32.84095 0.8618068 10.91745       0.5326295 10.48421       0.9162255 11.13860       0.6546032 -1.019524      1.723614  
1 1 1 -18 15 39 o 20.93961 1.089542  4.373100       0.4492903 4.555991       0.7057756 4.248483       0.5825846 0.7195492      2.179085  
1 1 1 -18 15 40 o 35.05251 0.9806352 12.17761       0.6802745 13.32201       1.057264  11.36910       0.8886606 2.766235       1.961270  
1 1 1 -18 15 41 o 75.16267 1.130564  55.12523       1.581949  52.49750       1.894530  61.17674       2.875031  -5.635376      2.261128  
1 1 1 -18 15 42 o 45.97893 0.7534924 21.17375       0.6918442 21.40079       1.008943  20.97225       0.9505015 0.4601440      1.506985  
1 1 1 -18 15 43 f 38.38552 0.7535979 14.80134       0.5769119 13.60900       0.8196855 15.97176       0.8121206 -3.078445      1.507196  
1 1 1 -18 15 44 o 43.81212 0.7518157 18.91397       0.6519833 21.53750       1.015028  17.07126       0.8506777 5.079132       1.503631  
1 1 1 -18 15 45 o 68.07638 0.8874382 46.39337       1.205871  48.06017       1.773166  44.95922       1.644780  2.260696       1.774876  
1 1 1 -18 15 46 o 44.84893 0.7810882 20.18604       0.6995937 19.86300       1.012547  20.48112       0.9677238 -0.6948280     1.562176  
1 1 1 -18 15 47 o 44.94505 0.7852553 20.29692       0.7046559 19.30305       1.008526  21.24489       0.9849595 -2.163475      1.570511  
1 1 1 -18 15 48 o 34.32807 0.8381099 11.80262       0.5731269 10.40572       0.7922998 13.33586       0.8300659 -4.262264      1.676220  
1 1 1 -18 15 49 o 19.57610 1.419454  3.900236       0.5359454 3.766947       0.8749276 3.980288       0.6780476 -0.5965157     2.838908  
1 1 1 -18 15 50 o 26.20834 1.242306  6.829052       0.6399721 7.451678       1.020063  6.424901       0.8218368 1.909840       2.484611  
1 1 1 -18 15 51 o 21.10590 1.387673  4.364295       0.5709635 5.141063       0.9431881 3.914998       0.7173308 2.837084       2.775347  
1 1 1 -18 15 52 o 23.27324 1.356996  5.415020       0.6171780 5.772220       0.9972603 5.193286       0.7857230 1.180603       2.713993  
1 1 1 -18 15 53 o 40.54618 1.128789  16.42094       0.9041054 17.53890       1.410880  15.64201       1.177681  2.278549       2.257578  
1 1 1 -18 15 54 o 37.05862 1.152264  13.81781       0.8423073 14.13326       1.310150  13.59557       1.099700  0.6647034      2.304527  
1 1 1 -18 15 55 o 15.73674 2.919234  2.639248       0.9209485 3.234980       1.450717  2.237104       1.191923  2.794731       5.838469  
1 1 1 -18 16 1  o 134.5197 2.076558  181.4969       5.579197  176.5677       7.655598  187.0802       8.147730  -3.868973      4.153116  
1 1 1 -18 16 2  o 126.5133 1.965374  160.6332       4.971646  163.1539       7.129795  158.2477       6.936142  1.925186       3.930749  
1 1 1 -18 16 3  o 70.68668 1.248708  49.95835       1.762977  48.48221       2.418903  51.63096       2.574851  -2.220360      2.497417  
1 1 1 -18 16 4  o 19.07777 1.265679  3.620416       0.4812381 3.330840       0.6490060 3.974089       0.7172460 -1.682844      2.531358  
1 1 1 -18 16 5  o 102.6025 1.639542  105.5367       3.364181  106.5960       4.792988  104.5081       4.723123  1.013466       3.279085  
1 1 1 -18 16 6  o 18.14843 1.337626  3.314593       0.4832680 3.551751       0.6693037 3.056277       0.6985206 1.366400       2.675251  
1 1 1 -18 16 7  o 77.22211 1.324201  59.65682       2.043640  61.74698       2.960610  57.75446       2.824479  2.578903       2.648403  
1 1 1 -18 16 8  f 149.0939 1.592277  221.6457       4.726581  211.0928       6.334600  234.9004       7.099374  -7.942322      3.184554  
1 1 1 -18 16 9  o 76.03746 0.8836150 57.84222       1.343482  58.75583       1.923937  56.97274       1.876877  1.171074       1.767230  
1 1 1 -18 16 10 f 82.07623 0.9410062 67.12009       1.539360  70.94327       2.294968  63.99317       2.075505  4.226784       1.882012  
1 1 1 -18 16 11 o 146.3459 1.565230  214.3254       4.574759  208.3056       6.272171  221.1681       6.687119  -4.371918      3.130460  
1 1 1 -18 16 12 f 89.00049 1.006308  78.94159       1.785171  83.38189       2.660113  75.30334       2.407912  4.529510       2.012617  
1 1 1 -18 16 13 o 75.88237 0.8893553 57.62327       1.349655  58.06364       1.920907  57.19392       1.896724  0.5722961      1.778711  
1 1 1 -18 16 14 f 210.2383 2.734822  444.7689       10.79111  443.3837       13.15203  447.6224       18.87678  -0.4311523     5.469645  
1 1 1 -18 16 15 o 47.14413 0.9221498 22.65084       0.8520011 24.95747       1.136486  19.69095       1.287400  5.590916       1.844300  
1 1 1 -18 16 16 o 69.31587 1.233097  48.04197       1.707200  46.47895       2.342226  49.81350       2.493567  -2.397667      2.466195  
1 1 1 -18 16 17 o 121.7942 1.902446  148.9246       4.632770  151.5938       6.651007  146.4090       6.456761  2.112640       3.804891  
1 1 1 -18 16 18 o 82.45886 1.387307  67.90839       2.281379  65.05136       3.088751  71.33803       3.384161  -3.793884      2.774614  
1 1 1 -18 16 19 o 22.47219 1.020211  5.161223       0.4289262 4.752941       0.7377926 5.369667       0.5271673 -1.381628      2.040422  
1 1 1 -18 16 20 o 107.1627 1.455462  116.4843       2.980150  110.5250       4.950279  119.8718       3.732263  -4.440804      2.910924  
1 1 1 -18 16 21 f 47.42667 0.6844357 22.45316       0.6484281 21.31966       0.8915233 23.72626       0.9448282 -2.535469      1.368871  
1 1 1 -18 16 22 o 50.76704 0.7051664 25.75080       0.7154217 24.72329       0.9886500 26.88034       1.036568  -2.122818      1.410333  
1 1 1 -18 16 23 o 57.35490 1.004187  32.77930       1.147300  34.70948       1.717346  31.22345       1.541858  3.030079       2.008375  
1 1 1 -18 16 24 f 62.28188 0.7888165 38.52456       0.9779972 35.81380       1.308087  41.96046       1.472692  -4.927704      1.577633  
1 1 1 -18 16 25 o 72.77921 0.8730420 52.82554       1.267589  50.28431       1.719755  55.84841       1.875659  -3.815224      1.746084  
1 1 1 -18 16 26 o 21.27565 0.7225874 4.565680       0.3050289 4.124484       0.4455242 4.954966       0.4184954 -1.952795      1.445175  
1 1 1 -18 16 27 o 77.63602 0.9193466 60.35680       1.427475  59.99594       2.015682  60.71986       2.021843  -0.4658890     1.838693  
1 1 1 -18 16 28 o 80.69582 0.9466099 65.19389       1.527334  64.04140       2.129792  66.41411       2.191482  -1.466461      1.893220  
1 1 1 -18 16 29 o 99.81792 1.122279  99.88081       2.240459  99.89169       3.173836  99.87003       3.163166  0.1001740E-01  2.244558  
1 1 1 -18 16 30 o 27.16296 0.6856178 7.165174       0.3665853 8.742619       0.5844685 6.142174       0.4706756 4.781267       1.371236  
1 1 1 -18 16 31 o 44.47652 0.6949803 19.65613       0.6158806 17.70850       0.8325384 22.01026       0.9153063 -4.831867      1.389961  
1 1 1 -18 16 32 o 66.04039 0.8338839 43.68258       1.101336  43.49871       1.564030  43.86341       1.551099  -0.2769547     1.667768  
1 1 1 -18 16 33 o 71.11530 0.8744410 50.29812       1.238073  46.98040       1.657131  54.48971       1.862630  -5.264633      1.748882  
1 1 1 -18 16 34 o 44.23327 0.7633047 19.69307       0.6691030 18.78972       1.003647  20.41578       0.8977013 -1.845181      1.526609  
1 1 1 -18 16 35 o 59.01426 1.073552  34.91303       1.266616  33.67141       1.766921  36.22552       1.816645  -2.158810      2.147103  
1 1 1 -18 16 36 o 53.81760 1.021556  28.95585       1.095943  30.18678       1.629588  27.93936       1.480859  2.072220       2.043111  
1 1 1 -18 16 37 o 8.096994 1.712329  0.6136551      0.3572615 -0.1129828     0.5529389 1.134386       0.4680848 -4.616570      3.424658  
1 1 1 -18 16 38 f 46.99051 0.8606097 22.33505       0.7919099 23.21330       1.032257  21.07882       1.234559  2.290733       1.721219  
1 1 1 -18 16 39 o 52.97553 1.037572  28.26651       1.068467  27.73754       1.719011  28.59952       1.363941  -0.8576126     2.075144  
1 1 1 -18 16 40 f 24.77142 0.8144211 5.993661       0.3975050 7.102008       0.6320839 5.268544       0.5112589 3.688076       1.628842  
1 1 1 -18 16 41 o 31.11998 0.7567577 9.688687       0.4685885 9.869492       0.7019388 9.543342       0.6293554 0.5166073      1.513515  
1 1 1 -18 16 42 f 15.01087 1.290450  2.482569       0.3455440 1.595302       0.5340037 3.121690       0.4532197 -5.257964      2.580900  
1 1 1 -18 16 43 o 6.364698 1.698646  0.2596787      0.3163230 -0.1239079     0.5049564 0.5074294      0.4058166 -1.784043      3.397292  
1 1 1 -18 16 44 f 50.21722 0.7798936 25.05154       0.7775604 27.13783       1.189233  23.49366       1.027651  3.609493       1.559787  
1 1 1 -18 16 45 o 29.41821 0.8283491 8.811647       0.4795389 7.214149       0.6923022 10.28506       0.6648702 -5.223118      1.656698  
1 1 1 -18 16 46 o 20.00516 1.024549  4.005284       0.4033192 4.120351       0.6334762 3.926845       0.5230227 0.4637718      2.049098  
1 1 1 -18 16 47 o 39.48566 0.9698738 15.55838       0.7625114 14.59255       1.021219  16.77528       1.146293  -2.742416      1.939748  
1 1 1 -18 16 48 o 49.10962 1.091128  24.23429       1.065188  24.59409       1.602132  23.94925       1.426009  0.6203766      2.182256  
1 1 1 -18 16 49 o 6.609235 2.016984  -0.2150751E-01 0.4685071 -0.2652352     0.8234096 0.9517178E-01  0.5697185 0.4032416      4.033967  
1 1 1 -18 16 50 o 35.02137 1.108702  12.29688       0.7651071 12.70241       1.197111  12.01682       0.9948079 0.9304695      2.217404  
1 1 1 -18 16 51 o 23.40436 1.327161  5.559629       0.6049170 5.439047       0.9670892 5.637131       0.7753140 -0.4788170     2.654323  
1 1 1 -18 16 52 o 39.53658 1.134997  15.83410       0.8881822 15.22376       1.341886  16.30995       1.184875  -1.414501      2.269994  
1 1 1 -18 16 53 o 6.104952 1.978082  -0.6681971     0.5201805 -0.3623606E-01 0.8887142 -0.9975357     0.6415615 2.841253       3.956163  
1 1 1 -18 16 54 o 23.91734 1.458200  5.580102       0.6749172 6.692240       1.140885  4.981368       0.8371053 3.468307       2.916400  
1 1 1 -18 17 1  o 115.9945 1.825744  134.9283       4.231002  139.1131       6.158195  131.1867       5.822950  3.389023       3.651488  
1 1 1 -18 17 2  o 84.63950 1.417675  71.73544       2.397526  69.97837       3.304701  73.68790       3.483595  -2.179993      2.835351  
1 1 1 -18 17 3  o 60.08916 1.147406  36.16864       1.378865  36.47932       1.946653  35.85583       1.953385  0.5191460      2.294811  
1 1 1 -18 17 4  o 29.77597 1.054681  8.873538       0.6278955 8.595948       0.8770417 9.165418       0.8993347 -0.9552174     2.109362  
1 1 1 -18 17 5  o 18.13879 1.362948  3.293736       0.4918831 3.771607       0.7112104 2.855566       0.6810264 2.523293       2.725895  
1 1 1 -18 17 6  o 47.99347 1.049635  23.06004       1.007383  23.56918       1.435686  22.56626       1.413874  1.043858       2.099269  
1 1 1 -18 17 7  o 74.32121 0.8702937 54.75101       1.284893  59.81801       1.960562  50.93619       1.701150  5.965477       1.740587  
1 1 1 -18 17 8  o 57.35415 0.7284139 32.70301       0.8318774 30.76296       1.114583  35.14279       1.249918  -3.813950      1.456828  
1 1 1 -18 17 9  o 66.65266 0.8021249 44.44789       1.069066  45.09830       1.530496  43.82818       1.493941  0.9515228      1.604250  
1 1 1 -18 17 10 f 68.75949 0.8232672 47.24835       1.130975  45.85902       1.556911  48.80058       1.645657  -2.135811      1.646534  
1 1 1 -18 17 11 o 73.61823 0.8670470 53.69958       1.267173  58.64452       1.940256  50.02162       1.673333  5.846275       1.734094  
1 1 1 -18 17 12 o 64.36424 0.7898487 41.31265       1.014366  39.41549       1.378021  43.55639       1.498616  -3.212536      1.579697  
1 1 1 -18 17 13 o 51.82692 0.6938417 26.86931       0.7190931 26.40355       1.006968  27.35401       1.027237  -0.9163284     1.387683  
1 1 1 -18 17 14 o 57.19788 1.122958  32.71412       1.283541  34.26317       1.860580  31.30749       1.772988  2.579292       2.245917  
1 1 1 -18 17 15 o 25.71897 0.5992308 6.600870       0.3073627 6.831384       0.4550363 6.407444       0.4168258 0.8231316      1.198462  
1 1 1 -18 17 16 o 77.37225 0.9079959 59.87549       1.404204  58.47739       1.944610  61.39880       2.029817  -1.884315      1.815992  
1 1 1 -18 17 17 o 54.99649 0.7276564 30.26748       0.8003695 30.19269       1.131597  30.34236       1.132190  -0.1360588     1.455313  
1 1 1 -18 17 18 o 25.36604 0.6297135 6.426446       0.3188651 6.614442       0.4680639 6.263643       0.4355737 0.6904869      1.259427  
1 1 1 -18 17 19 o 83.82716 0.9692920 70.05254       1.620022  66.63879       2.188773  74.18837       2.409167  -4.492424      1.938584  
1 1 1 -18 17 20 o 63.89719 1.077227  40.89827       1.376599  40.57217       1.947512  41.22389       1.946098  -0.5100479     2.154455  
1 1 1 -18 17 21 o 94.22918 1.328198  89.40150       2.351951  90.13754       2.877440  87.91987       4.082509  1.260010       2.656396  
1 1 1 -18 17 22 o 41.81423 0.8692096 17.36860       0.6603807 17.18278       0.7823022 17.82930       1.231809  -0.7524147     1.738419  
1 1 1 -18 17 23 o 96.73416 1.576021  93.93751       3.049090  94.10166       4.308739  93.77283       4.315399  0.1705399      3.152042  
1 1 1 -18 17 24 o 76.80415 1.335295  59.14867       2.050933  59.88758       2.924989  58.43404       2.876532  0.9425735      2.670591  
1 1 1 -18 17 25 o 95.09964 1.557623  90.76360       2.961187  89.23186       4.112618  92.41262       4.267157  -1.657761      3.115245  
1 1 1 -18 17 26 o 68.58758 1.245300  47.08281       1.705676  45.53489       2.335930  48.85076       2.496444  -2.404114      2.490601  
1 1 1 -18 17 27 f 92.93843 1.535355  86.76103       2.853274  85.98198       3.987671  87.57833       4.084345  -0.8484497     3.070711  
1 1 1 -18 17 28 o 53.85524 1.001879  29.37987       1.059956  27.17485       1.625601  31.01070       1.398017  -3.577087      2.003758  
1 1 1 -18 17 29 o 38.89565 0.8726310 14.46748       0.5992424 16.61762       1.201439  13.75546       0.6913797 3.647560       1.745262  
1 1 1 -18 17 30 o 58.68320 0.9878324 34.87651       1.076779  33.51845       1.899463  35.51959       1.307094  -1.750202      1.975665  
1 1 1 -18 17 31 o 84.50146 1.555045  72.19270       2.118156  71.16498       4.666153  72.45944       2.377194  -1.047348      3.110090  
1 1 1 -18 17 32 o 62.23969 1.101435  38.75123       1.369234  36.54348       1.881558  41.23648       1.996311  -3.759003      2.202869  
1 1 1 -18 17 33 o 7.823910 1.815797  0.5961995      0.3287152 0.4648921      0.5223120 0.6823162      0.4229890 -0.6977658     3.631593  
1 1 1 -18 17 34 o 11.98343 1.547737  1.487943       0.3523135 1.407395       0.5631075 1.539756       0.4516281 -0.7907343     3.095474  
1 1 1 -18 17 35 o 36.94231 0.7083340 13.57998       0.5209403 14.55721       0.7837062 12.80638       0.6972849 2.363235       1.416668  
1 1 1 -18 17 36 o 24.27455 0.7733433 5.834238       0.3718130 6.387277       0.5758929 5.438934       0.4868885 1.945759       1.546687  
1 1 1 -18 17 37 o 41.99155 0.7166268 17.52954       0.5988646 18.98384       0.9034792 16.38985       0.7998099 3.079975       1.433254  
1 1 1 -18 17 38 f 61.48784 0.8220407 37.90055       1.010802  37.27399       1.429815  38.52653       1.429166  -1.018593      1.644081  
1 1 1 -18 17 39 o 50.01151 0.7563983 24.52613       0.7460421 28.31786       1.181402  22.01115       0.9621570 6.283279       1.512797  
1 1 1 -18 17 40 o 60.23856 0.8201817 36.36013       0.9877903 35.08850       1.379951  37.69638       1.414585  -2.160755      1.640363  
1 1 1 -18 17 41 o 41.25854 0.7411078 16.77998       0.6052694 19.03099       0.9420154 15.19726       0.7898967 4.629993       1.482216  
1 1 1 -18 17 42 o 26.08304 0.8206815 6.822028       0.4235879 6.823519       0.6478418 6.820915       0.5598359 -0.5550385E-02 1.641363  
1 1 1 -18 17 43 o 30.93252 0.7799963 9.488398       0.4777633 10.31732       0.7401820 8.896405       0.6255182 2.282984       1.559993  
1 1 1 -18 17 44 o 40.61081 0.7675413 16.56528       0.6211601 16.20980       0.9126735 16.87203       0.8478141 -0.8238220     1.535083  
1 1 1 -18 17 45 f 54.33992 0.8174710 29.52509       0.8851997 30.76537       1.319324  28.50961       1.193791  2.057507       1.634942  
1 1 1 -18 17 46 o 74.54250 1.133582  55.79535       1.617702  55.47386       2.012556  56.38228       2.719313  -0.4675446     2.267164  
1 1 1 -18 17 47 o 16.93289 1.568246  2.888966       0.5144513 2.971404       0.8441344 2.840254       0.6488795 0.3290501      3.136491  
1 1 1 -18 17 48 o 45.70522 1.086496  21.04981       0.9867795 20.84039       1.477782  21.21834       1.325619  -0.4464302     2.172993  
1 1 1 -18 17 49 f 15.38555 1.900177  2.700645       0.5260661 1.734971       0.8533112 3.292691       0.6681432 -5.329025      3.800354  
1 1 1 -18 17 50 o 43.77725 1.138326  19.37529       0.9843345 18.94733       1.506361  19.69420       1.300365  -0.9044762     2.276652  
1 1 1 -18 17 51 o 13.83960 2.634143  1.903565       0.6212775 2.291545       1.450306  1.816367       0.6875581 1.503941       5.268287  
1 1 1 -18 17 52 o 24.99250 1.650807  0.000000       0.000000  ?              ?         6.306798       0.8251558 ?              ?         
1 1 1 -18 17 53 o 33.86430 2.348524  0.000000       0.000000  ?              ?         11.68619       1.590622  ?              ?         
1 1 1 -18 18 1  o 24.14798 1.216741  5.866175       0.5793730 7.162119       0.8342326 4.658712       0.8052500 5.181711       2.433482  
1 1 1 -18 18 2  o 81.11329 1.387153  65.89216       2.248752  68.10345       3.255697  63.87469       3.109752  2.596603       2.774306  
1 1 1 -18 18 3  o 105.1073 1.687949  110.8525       3.546609  109.0787       4.925464  112.7625       5.111006  -1.736984      3.375897  
1 1 1 -18 18 4  o 41.81594 1.053785  17.19267       0.8732142 14.90792       1.148222  20.32650       1.344758  -6.469009      2.107571  
1 1 1 -18 18 5  o 135.9163 2.104118  185.8314       5.719208  184.6682       8.027571  187.0304       8.150187  -0.8565369     4.208235  
1 1 1 -18 18 6  o 33.56567 1.056130  11.26740       0.7083321 11.96782       1.021823  10.61947       0.9827832 2.006554       2.112261  
1 1 1 -18 18 7  o 89.69408 1.012192  80.54366       1.815416  79.67599       2.538225  81.45238       2.597576  -0.9873734     2.024384  
1 1 1 -18 18 8  o 68.18832 0.8180299 46.45976       1.114309  48.12102       1.624216  44.98255       1.531600  2.297699       1.636060  
1 1 1 -18 18 9  o 86.19293 0.9810058 74.20905       1.688049  77.26279       2.479274  71.57002       2.304789  3.294128       1.962012  
1 1 1 -18 18 10 o 59.04578 0.7460504 34.80590       0.8796239 36.35352       1.289105  33.45750       1.203277  2.449272       1.492101  
1 1 1 -18 18 11 o 147.9639 1.584891  219.6075       4.688725  222.8139       6.730660  216.5844       6.535367  2.090057       3.169782  
1 1 1 -18 18 12 o 75.20636 0.8854779 56.62126       1.331869  56.48422       1.881358  56.75895       1.885743  -0.1824646     1.770956  
1 1 1 -18 18 13 o 195.3326 2.069364  383.8283       8.083958  385.7476       11.49423  381.9499       11.37164  0.9594727      4.138728  
1 1 1 -18 18 14 o 101.1068 1.441776  102.1318       2.852918  104.4397       4.551558  100.6383       3.661436  1.815285       2.883551  
1 1 1 -18 18 15 o 61.15010 1.028411  37.13878       1.249769  40.14151       1.901217  34.85397       1.658435  4.310558       2.056823  
1 1 1 -18 18 16 o 48.35311 0.7247127 23.23533       0.6948538 22.22864       0.9161963 24.59837       1.066093  -2.444744      1.449425  
1 1 1 -18 18 17 o 47.38543 0.6815587 22.23517       0.6424017 20.16863       0.8563554 24.89471       0.9714830 -4.982666      1.363117  
1 1 1 -18 18 18 o 43.63001 0.6639842 18.99599       0.5785832 17.83987       0.7951368 20.29697       0.8434822 -2.814098      1.327968  
1 1 1 -18 18 19 o 67.79887 0.8350255 45.48378       1.123346  42.01632       1.479829  50.19895       1.725656  -6.023224      1.670051  
1 1 1 -18 18 20 o 93.57976 1.060974  87.27370       1.978199  82.81252       2.660962  92.78537       2.957701  -5.310898      2.121947  
1 1 1 -18 18 21 o 103.5401 1.155212  107.3459       2.390565  105.0404       3.307533  109.8676       3.459098  -2.320915      2.310424  
1 1 1 -18 18 22 o 63.24944 0.7968271 40.01371       1.007487  38.92041       1.398440  41.19351       1.452713  -1.794285      1.593654  
1 1 1 -18 18 23 o 33.34145 0.6490510 11.13201       0.4325207 10.73094       0.6141866 11.52659       0.6091971 -1.193394      1.298102  
1 1 1 -18 18 24 o 78.54071 0.9270967 61.73395       1.455460  60.17461       2.016938  63.42821       2.102384  -2.065773      1.854193  
1 1 1 -18 18 25 o 75.62910 0.9052202 57.18657       1.367572  55.26522       1.878627  59.35260       1.994663  -2.694885      1.810440  
1 1 1 -18 18 26 o 88.18999 1.016679  77.72449       1.789834  74.68627       2.441640  81.25336       2.631416  -3.709656      2.033359  
1 1 1 -18 18 27 o 74.26454 0.9045779 55.05663       1.340879  52.28015       1.827034  58.29797       1.974068  -4.041618      1.809156  
1 1 1 -18 18 28 o 49.50108 0.9570241 24.38057       0.9440967 22.14922       1.275494  27.08441       1.404055  -4.974998      1.914048  
1 1 1 -18 18 29 o 28.90887 0.8873609 8.404778       0.5081816 6.998157       0.7114040 9.870432       0.7261785 -4.966715      1.774722  
1 1 1 -18 18 30 f 56.76266 1.032343  32.30973       1.171521  32.17007       1.678230  32.44247       1.636133  -0.2438011     2.064686  
1 1 1 -18 18 31 o 16.82054 1.020016  2.808052       0.3388529 2.240009       0.4565477 3.504776       0.5056217 -3.754848      2.040033  
1 1 1 -18 18 32 o 92.74554 1.067678  86.30126       1.980438  86.02609       2.795729  86.57842       2.805822  -0.2966614     2.135355  
1 1 1 -18 18 33 o 6.884384 1.731831  0.3764286      0.3088085 0.1720192      0.4247199 0.6056927      0.4498008 -1.928392      3.463662  
1 1 1 -18 18 34 o 20.12585 1.144448  4.025760       0.4302287 3.953773       0.5200889 4.181792       0.7657008 -0.5361462     2.288897  
1 1 1 -18 18 35 o 52.66159 0.9707292 28.37087       0.9656922 29.61823       1.199447  26.07249       1.628159  3.413692       1.941458  
1 1 1 -18 18 36 o 27.76621 0.9927402 8.044203       0.5181958 8.790648       0.6504531 6.747375       0.8573499 3.703768       1.985480  
1 1 1 -18 18 37 o 45.81554 0.9530418 21.10826       0.8153826 21.19456       0.9907179 20.92707       1.435509  0.3460274      1.906084  
1 1 1 -18 18 38 o 22.61216 1.400534  4.995327       0.6193040 6.779767       0.9648973 3.745258       0.8076015 6.680433       2.801069  
1 1 1 -18 18 39 o 41.57463 0.9999258 17.11535       0.8069473 16.41597       1.015303  18.31483       1.329641  -2.240379      1.999852  
1 1 1 -18 18 40 o 41.19404 1.027805  16.87573       0.8196945 16.39807       1.029840  17.70147       1.354038  -1.533791      2.055610  
1 1 1 -18 18 41 o 54.34937 1.060669  29.27938       1.116600  28.14860       1.400930  31.24898       1.848908  -2.782131      2.121339  
1 1 1 -18 18 42 o 56.87188 1.089932  32.58482       1.213071  32.84153       1.565517  32.19907       1.919047  0.6267128      2.179865  
1 1 1 -18 18 43 o 16.19935 1.467234  2.597646       0.4655510 2.401401       0.5920244 2.915644       0.7536188 -1.545784      2.934468  
1 1 1 -18 18 44 o 30.50629 1.116012  9.815445       0.6309360 10.76481       0.7830000 8.057728       1.065415  4.490305       2.232024  
1 1 1 -18 18 45 o 48.58131 1.165957  23.68393       1.132874  23.68393       1.132874  ?              ?         ?              ?         
1 1 1 -18 18 46 o 57.73994 1.680622  33.59922       1.940780  33.59922       1.940780  ?              ?         ?              ?         
1 1 1 -18 18 47 o 24.42939 1.376297  6.040081       0.6706809 6.150875       0.9209410 5.914965       0.9786602 0.4988346      2.752594  
1 1 1 -18 18 48 o 42.04433 1.072771  17.87082       0.8986793 16.47902       1.290155  19.18262       1.252530  -3.224155      2.145541  
1 1 1 -18 18 49 o 20.16964 1.433091  4.241550       0.5579280 3.551295       0.8670955 4.729247       0.7288483 -2.962894      2.866183  
1 1 1 -18 18 50 o 57.27142 1.178426  33.16442       1.346937  31.81395       1.942874  34.41413       1.868986  -2.290405      2.356852  
1 1 1 -18 18 51 o 22.00994 1.561457  5.335880       0.6305905 3.506435       0.9917142 6.577607       0.8170332 -7.040869      3.122914  
1 1 1 -18 18 52 o 59.34140 1.782357  35.87502       2.099712  36.91119       3.186614  35.07996       2.791368  1.370605       3.564713  
1 1 1 -18 19 1  o 101.7683 1.649942  103.8211       3.353307  100.6914       4.594901  107.3873       4.904842  -3.261299      3.299883  
1 1 1 -18 19 2  o 60.00582 1.176790  36.08373       1.412217  36.57831       2.002536  35.59441       1.991861  0.8191490      2.353579  
1 1 1 -18 19 3  o 136.4265 2.118500  187.4062       5.780111  186.6741       8.128284  188.1550       8.221131  -0.5319977     4.237000  
1 1 1 -18 19 4  o 29.26607 1.136924  8.539351       0.6637216 7.802835       0.9045669 9.398348       0.9768873 -2.721405      2.273848  
1 1 1 -18 19 5  o 90.01215 1.499777  80.93310       2.691762  85.91553       4.001444  76.81482       3.637922  5.025711       2.999554  
1 1 1 -18 19 6  o 21.27237 1.315508  4.542645       0.5589461 4.687000       0.7792003 4.389627       0.8022414 0.7006016      2.631015  
1 1 1 -18 19 7  o 83.47008 0.9570471 69.73914       1.597230  71.00581       2.292882  68.54502       2.226241  1.470619       1.914094  
1 1 1 -18 19 8  f 49.05134 0.6661458 24.06314       0.6532924 24.59933       0.9387317 23.55956       0.9097402 1.058838       1.332292  
1 1 1 -18 19 9  o 84.65549 0.9687774 71.62750       1.637961  74.34032       2.394489  69.24169       2.245532  3.003593       1.937555  
1 1 1 -18 19 10 o 85.91896 0.9817451 73.57599       1.681002  77.98021       2.508757  69.98746       2.264548  4.638344       1.963490  
1 1 1 -18 19 11 o 126.3634 1.371418  159.9996       3.463552  163.7198       5.011540  156.5978       4.792222  2.801720       2.742836  
1 1 1 -18 19 12 o 148.8559 1.597112  222.4050       4.753911  220.0263       6.646772  224.8961       6.802008  -1.622192      3.194224  
1 1 1 -18 19 13 o 52.18196 1.121867  27.27851       1.170696  26.99800       1.640860  27.56933       1.670774  -0.5455933     2.243735  
1 1 1 -18 19 14 o 147.7096 1.586920  219.0406       4.687993  219.8705       6.652525  218.2220       6.607351  0.5540314      3.173841  
1 1 1 -18 19 15 o 33.35409 0.6137131 11.11207       0.4087846 11.47291       0.5980051 10.79554       0.5600747 1.014107       1.227426  
1 1 1 -18 19 16 o 44.15416 0.6670676 19.39969       0.5870968 20.85963       0.8752931 18.20568       0.7915667 3.002098       1.334135  
1 1 1 -18 19 17 o 83.84826 0.9716533 70.41475       1.629395  70.03635       2.295257  70.79917       2.313475  -0.4538269     1.943307  
1 1 1 -18 19 18 o 85.38597 0.9855378 72.96915       1.681994  71.31862       2.329720  74.76616       2.430902  -2.012596      1.971076  
1 1 1 -18 19 19 o 41.47464 0.6578976 17.14234       0.5445330 15.82051       0.7438229 18.66887       0.7993428 -3.431469      1.315795  
1 1 1 -18 19 20 o 75.92755 0.9044449 57.70961       1.372968  56.57323       1.911075  58.92178       1.973783  -1.542679      1.808890  
1 1 1 -18 19 21 o 53.62672 0.7324045 28.62304       0.7830667 26.69407       1.057691  30.96288       1.164903  -3.974590      1.464809  
1 1 1 -18 19 22 o 103.8756 1.161389  108.0913       2.411071  105.7359       3.334559  110.6719       3.490310  -2.363228      2.322778  
1 1 1 -18 19 23 o 30.75586 0.6550648 9.486810       0.4021128 8.972906       0.5760978 9.975048       0.5615287 -1.629862      1.310130  
1 1 1 -18 19 24 o 45.74556 0.8134387 21.11893       0.7185197 20.31532       1.169527  21.60614       0.9106481 -1.426460      1.626877  
1 1 1 -18 19 25 o 58.75656 1.036332  34.61078       1.217675  34.03269       1.723864  35.18645       1.720247  -0.9821091     2.072665  
1 1 1 -18 19 26 o 43.78045 0.8956813 19.19222       0.7824254 19.36452       1.148850  19.04317       1.068542  0.3610077      1.791363  
1 1 1 -18 19 27 o 37.90129 0.8664182 14.14141       0.6489666 16.00337       1.017679  12.86532       0.8424955 4.126621       1.732836  
1 1 1 -18 19 28 o 50.89098 0.7706367 25.90468       0.7828047 28.28823       1.128077  23.69091       1.087162  4.513954       1.541273  
1 1 1 -18 19 29 o 59.35071 0.7878429 35.23952       0.9342917 36.30808       1.357700  34.27836       1.287657  1.704506       1.575686  
1 1 1 -18 19 30 o 13.89507 1.090987  1.848131       0.2895133 2.845641       0.4619369 1.202838       0.3715375 5.901523       2.181973  
1 1 1 -18 19 31 o 60.00626 0.7953345 36.07520       0.9543613 36.09303       1.361520  36.05797       1.338125  0.2725220E-01  1.590669  
1 1 1 -18 19 32 f 64.88640 0.8380379 41.80280       1.081463  38.63055       1.439309  45.91581       1.638892  -5.595451      1.676076  
1 1 1 -18 19 33 o 61.04381 0.8086743 37.30561       0.9867910 36.00291       1.370406  38.70842       1.422095  -2.211189      1.617349  
1 1 1 -18 19 34 o 64.83392 0.8375841 42.12766       1.085946  41.25582       1.524385  43.02601       1.547394  -1.362816      1.675168  
1 1 1 -18 19 35 o 36.52853 0.7105742 13.27057       0.5164310 14.29940       0.7800974 12.46791       0.6890374 2.498581       1.421148  
1 1 1 -18 19 36 o 60.61787 0.8161631 36.83895       0.9892077 36.81791       1.415466  36.85903       1.383000  -0.3748322E-01 1.632326  
1 1 1 -18 19 37 o 21.04690 0.9110227 4.519965       0.3755195 3.992323       0.5720873 4.919417       0.4977653 -2.211597      1.822045  
1 1 1 -18 19 38 o 25.09403 0.8210568 6.335293       0.4081654 6.153783       0.6165245 6.476928       0.5446081 -0.6523209     1.642114  
1 1 1 -18 19 39 o 7.145359 1.766733  0.4491308      0.3026901 0.5119343      0.5028574 0.4134450      0.3790540 0.8527246      3.533466  
1 1 1 -18 19 40 o 30.60505 0.7673151 9.324441       0.4658924 9.894547       0.7134060 8.900501       0.6151925 1.612297       1.534630  
1 1 1 -18 19 41 o 38.07207 0.7532424 14.56695       0.5717199 14.05955       0.8338515 15.01708       0.7853908 -1.263729      1.506485  
1 1 1 -18 19 42 o 10.12590 1.624416  0.9417257      0.3335353 1.684150       0.5548888 0.5217454      0.4173442 5.554949       3.248831  
1 1 1 -18 19 43 f 41.67288 0.8732070 17.52674       0.7187101 18.08323       0.9532997 16.79389       1.093980  1.568684       1.746414  
1 1 1 -18 19 44 o 33.18070 0.9567533 11.04466       0.6341564 10.32057       0.8788828 11.83109       0.9159290 -2.269558      1.913507  
1 1 1 -18 19 45 o 9.855990 2.038540  1.050051       0.4420253 0.5815533      0.7315451 1.319462       0.5547464 -2.627113      4.077081  
1 1 1 -18 19 46 o 20.61927 1.313144  4.079163       0.5254456 5.236961       0.8840470 3.446731       0.6533799 4.277748       2.626287  
1 1 1 -18 19 47 o 21.34153 1.310409  4.539842       0.5427181 4.864895       0.8947718 4.350656       0.6826211 1.143013       2.620818  
1 1 1 -18 19 48 o 33.98291 1.082917  11.46489       0.7223918 12.49445       1.156268  10.80575       0.9251757 2.428497       2.165833  
1 1 1 -18 19 49 o 35.79862 1.086717  13.01539       0.7710948 11.99591       1.140988  13.87245       1.046158  -2.645443      2.173434  
1 1 1 -18 19 50 o 15.39685 2.010372  2.966675       0.5626059 1.145029       0.9152697 4.072978       0.7132701 -9.345356      4.020744  
1 1 1 -18 19 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 20 1  o 109.4609 1.755966  120.5091       3.843379  119.3392       5.370663  121.7372       5.502451  -1.079437      3.511931  
1 1 1 -18 20 2  o 119.8661 1.894245  144.5242       4.538137  148.2630       6.564091  141.1008       6.281053  2.951538       3.788491  
1 1 1 -18 20 3  o 65.02570 1.225678  42.28528       1.591680  44.64799       2.328623  40.21338       2.180610  3.397949       2.451356  
1 1 1 -18 20 4  o 125.9117 1.975152  159.6215       4.972918  161.8893       7.119247  157.4607       6.949367  1.736931       3.950305  
1 1 1 -18 20 5  o 77.49706 1.355975  60.24981       2.101124  59.96711       2.934777  60.54710       3.009509  -0.3677597     2.711949  
1 1 1 -18 20 6  o 90.65805 1.026247  82.13986       1.857477  85.65157       2.726918  79.10007       2.537081  3.601021       2.052493  
1 1 1 -18 20 7  f 60.28325 0.7557665 36.37143       0.9111058 35.96974       1.277244  36.78761       1.300055  -0.6772766     1.511533  
1 1 1 -18 20 8  f 39.18399 0.6076066 15.17930       0.4730922 17.08100       0.7204716 13.73777       0.6272752 4.262501       1.215213  
1 1 1 -18 20 9  o 57.08209 0.7380388 32.43374       0.8397306 34.81624       1.252116  30.48623       1.132056  3.787205       1.476078  
1 1 1 -18 20 10 o 95.10623 1.071390  90.40316       2.033898  94.24027       2.992138  87.10735       2.773069  3.735054       2.142780  
1 1 1 -18 20 11 o 67.59697 0.8253841 45.71272       1.115117  46.72262       1.612979  44.78812       1.543350  1.427200       1.650768  
1 1 1 -18 20 12 o 47.87218 0.6798798 22.92633       0.6507762 22.46539       0.9077421 23.41376       0.9334701 -0.9893684     1.359760  
1 1 1 -18 20 13 f 113.4186 1.248874  128.5353       2.824477  123.1396       3.821035  135.0350       4.193762  -5.212814      2.497748  
1 1 1 -18 20 14 o 57.73317 0.7484538 33.36223       0.8640668 33.63388       1.235284  33.10197       1.209087  0.4593048      1.496908  
1 1 1 -18 20 15 o 35.68272 0.6238943 12.52738       0.4412185 14.44956       0.6818150 11.14247       0.5787343 4.629543       1.247789  
1 1 1 -18 20 16 o 16.52640 0.7498308 2.707431       0.2463922 2.984837       0.3739989 2.494700       0.3275123 1.480442       1.499662  
1 1 1 -18 20 17 o 24.35021 0.6444971 5.869082       0.3119432 6.540828       0.4743308 5.357131       0.4140888 2.427841       1.288994  
1 1 1 -18 20 18 f 67.35387 0.8312498 45.27379       1.117314  43.20318       1.519984  47.70790       1.648010  -3.336609      1.662500  
1 1 1 -18 20 19 o 62.05286 0.7917539 38.53655       0.9823565 37.78323       1.370298  39.33307       1.409035  -1.246628      1.583508  
1 1 1 -18 20 20 o 31.10556 0.6552454 9.704618       0.4061636 8.731246       0.5731381 10.68662       0.5756745 -3.143005      1.310491  
1 1 1 -18 20 21 o 12.52120 1.189924  1.693978       0.2693282 1.258809       0.4324366 1.969752       0.3442471 -3.003735      2.379849  
1 1 1 -18 20 22 o 41.88181 0.8670306 17.25672       0.7196793 14.82787       0.9487997 20.54746       1.104387  -6.817238      1.734061  
1 1 1 -18 20 23 o 48.80238 0.9268814 23.85282       0.9036249 24.11597       1.313129  23.61612       1.245397  0.5068321      1.853763  
1 1 1 -18 20 24 o 64.56505 0.9822617 40.20194       1.174932  37.80487       1.397964  45.96851       2.168272  -6.256588      1.964523  
1 1 1 -18 20 25 o 43.50343 0.6961384 18.74192       0.6016507 20.75258       0.9179785 17.22783       0.7965984 4.043392       1.392277  
1 1 1 -18 20 26 o 51.62926 0.7400894 26.51069       0.7609166 28.68092       1.142791  24.78224       1.019867  3.766804       1.480179  
1 1 1 -18 20 27 o 92.91854 1.067352  86.29317       1.977640  90.75390       2.936540  82.59083       2.675291  4.363983       2.134703  
1 1 1 -18 20 28 o 104.4450 1.177637  109.4957       2.459237  111.1102       3.529982  107.9731       3.428031  1.489189       2.355274  
1 1 1 -18 20 29 o 55.42556 0.7677796 30.52768       0.8467979 33.21867       1.278490  28.42449       1.130267  4.312683       1.535559  
1 1 1 -18 20 30 o 93.13214 1.075055  87.02846       2.002011  88.24045       2.867639  85.87608       2.796252  1.260750       2.150109  
1 1 1 -18 20 31 o 73.33065 0.9016965 53.75303       1.319190  56.19581       1.949637  51.69023       1.791598  3.055328       1.803393  
1 1 1 -18 20 32 o 44.03170 0.7184983 19.41481       0.6318250 19.56942       0.9201631 19.27688       0.8690931 0.3276596      1.436997  
1 1 1 -18 20 33 o 51.95735 0.7550706 27.03002       0.7841787 25.78872       1.093182  28.34584       1.125517  -2.457615      1.510141  
1 1 1 -18 20 34 o 38.09060 0.7154346 14.55132       0.5443216 13.72705       0.7709638 15.37057       0.7686155 -2.157608      1.430869  
1 1 1 -18 20 35 o 79.54851 0.9623170 63.48601       1.530761  62.33554       2.141316  64.68842       2.189121  -1.472595      1.924634  
1 1 1 -18 20 36 o 25.01097 0.8128340 6.374792       0.3982482 4.961228       0.5686269 7.735726       0.5579411 -5.547779      1.625668  
1 1 1 -18 20 37 f 17.10420 1.029763  2.888771       0.3484707 3.277848       0.5437229 2.617556       0.4539588 1.916660       2.059526  
1 1 1 -18 20 38 o 61.09003 0.8305099 37.32869       1.013315  35.34143       1.390355  39.58024       1.479923  -3.457977      1.661020  
1 1 1 -18 20 39 o 6.189656 1.639008  0.2081557      0.3103056 -0.3116797     0.4942430 0.5463940      0.3986750 -2.466113      3.278016  
1 1 1 -18 20 40 o 28.24149 0.8229069 8.115913       0.4581672 6.863071       0.6680011 9.228835       0.6295955 -4.193933      1.645814  
1 1 1 -18 20 41 o 20.27491 0.9587933 4.242304       0.3777851 3.488533       0.5724890 4.823745       0.5028058 -3.304306      1.917587  
1 1 1 -18 20 42 o 7.530869 1.907603  0.4931201      0.3659453 0.4025026      0.5409771 0.5695666      0.4968800 -0.5063338     3.815205  
1 1 1 -18 20 43 o 20.70621 1.267487  4.347294       0.5081953 4.235809       0.8238112 4.415782       0.6456925 -0.4781494     2.534975  
1 1 1 -18 20 44 f 35.65697 1.032949  12.81606       0.7294003 12.60736       1.107128  12.97611       0.9695618 -0.5454979     2.065897  
1 1 1 -18 20 45 f 18.25073 1.424202  3.276225       0.5031239 3.752676       0.8449047 3.014453       0.6262667 1.953726       2.848404  
1 1 1 -18 20 46 o 26.55309 1.162239  7.185457       0.6051501 6.687763       0.9349027 7.544351       0.7939032 -1.648727      2.324478  
1 1 1 -18 20 47 o 13.94779 1.867917  2.004076       0.4897168 2.258713       0.8033174 1.853477       0.6177868 1.312967       3.735834  
1 1 1 -18 20 48 o 20.58341 1.424464  4.287855       0.5636696 4.329912       0.9378319 4.264070       0.7052722 0.7876587E-01  2.848928  
1 1 1 -18 20 49 o 6.935616 2.100443  -0.1126276E-01 0.4911489 0.1596049      0.8555398 -0.9525736E-01 0.5998409 1.773149       4.200887  
1 1 1 -18 20 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 21 1  o 83.92603 1.437009  70.66840       2.410569  72.98508       3.484426  68.54187       3.338381  2.631271       2.874018  
1 1 1 -18 21 2  o 78.69646 1.377180  62.01991       2.164406  65.05232       3.167650  59.36430       2.964320  3.593307       2.754359  
1 1 1 -18 21 3  f 50.71737 1.132509  25.76351       1.148170  26.75650       1.654495  24.84103       1.594673  1.883484       2.265019  
1 1 1 -18 21 4  o 55.89940 1.161939  31.32820       1.298864  32.05239       1.847723  30.62077       1.826208  1.278748       2.323878  
1 1 1 -18 21 5  o 89.52959 1.506762  80.42489       2.695264  78.53607       3.713131  82.52843       3.918513  -2.207741      3.013524  
1 1 1 -18 21 6  o 72.73173 0.8672625 52.97166       1.261359  52.61409       1.766154  53.34393       1.802051  -0.4995422     1.734525  
1 1 1 -18 21 7  o 32.32831 0.5764902 10.27366       0.3694343 12.09951       0.5681691 8.936304       0.4862597 4.888998       1.152980  
1 1 1 -18 21 8  o 26.77429 0.5678348 7.149592       0.3031691 6.415444       0.4169315 7.973278       0.4416251 -2.908207      1.135670  
1 1 1 -18 21 9  o 54.94781 0.7238802 29.85870       0.7896072 33.23744       1.210202  27.35417       1.041940  5.344913       1.447760  
1 1 1 -18 21 10 o 14.60209 0.7194019 2.032582       0.1991839 3.216828       0.3186433 1.273050       0.2551858 6.652704       1.438804  
1 1 1 -18 21 11 o 93.63885 1.060132  87.52168       1.979347  92.32475       2.941445  83.54696       2.675812  4.666977       2.120263  
1 1 1 -18 21 12 o 55.96748 1.160097  30.81299       1.283201  27.71662       1.665636  35.33399       2.012662  -6.776123      2.320193  
1 1 1 -18 21 13 o 89.37300 1.024028  80.04025       1.830213  79.47957       2.566215  80.62067       2.610989  -0.6350174     2.048055  
1 1 1 -18 21 14 o 46.97361 0.6840187 22.03117       0.6418002 20.78876       0.8826706 23.42484       0.9348614 -2.803242      1.368037  
1 1 1 -18 21 15 o 147.2157 1.587290  217.8383       4.672064  221.0496       6.707211  214.8116       6.511719  2.094635       3.174579  
1 1 1 -18 21 16 o 51.60159 0.7217517 26.20647       0.7370391 29.80470       1.148623  23.68793       0.9609635 5.916111       1.443503  
1 1 1 -18 21 17 o 53.35866 0.8570095 28.07292       0.8672954 29.91203       1.506524  27.16125       1.060696  2.546707       1.714019  
1 1 1 -18 21 18 o 34.73435 0.7946541 12.06339       0.5503381 12.31948       0.8144459 11.84821       0.7465678 0.6739120      1.589308  
1 1 1 -18 21 19 f 67.12686 1.120094  44.82760       1.496119  41.70173       1.996495  48.83125       2.259491  -5.285446      2.240187  
1 1 1 -18 21 20 o 28.29609 0.7893165 7.968055       0.4432077 8.411086       0.6773348 7.636336       0.5860985 1.362720       1.578633  
1 1 1 -18 21 21 o 37.56715 0.7398466 14.16402       0.5482981 14.32815       0.7207381 13.93854       0.8447696 0.5268211      1.479693  
1 1 1 -18 21 22 o 20.46085 0.7459409 4.248940       0.3007810 3.502774       0.4330529 4.944397       0.4180794 -3.523928      1.491882  
1 1 1 -18 21 23 o 74.38448 0.9045663 55.35037       1.343996  57.53927       1.962177  53.41582       1.844658  2.761108       1.809133  
1 1 1 -18 21 24 o 36.37880 0.6839876 13.23625       0.4968180 12.19450       0.6905605 14.35399       0.7153064 -2.966312      1.367975  
1 1 1 -18 21 25 o 97.67316 1.114192  95.63355       2.174634  98.48239       3.156588  93.06008       3.000165  2.757454       2.228384  
1 1 1 -18 21 26 o 62.66309 0.8159564 39.24663       1.021202  37.44745       1.400218  41.29104       1.492601  -3.058800      1.631913  
1 1 1 -18 21 27 o 72.99101 0.8977627 53.36093       1.309481  54.60354       1.898713  52.23378       1.808362  1.614304       1.795525  
1 1 1 -18 21 28 o 19.33237 0.9096591 3.946000       0.3259604 2.278443       0.4634829 5.577983       0.4585125 -8.534202      1.819318  
1 1 1 -18 21 29 o 62.34442 0.8150230 38.93091       1.015626  39.65739       1.466990  38.26218       1.407482  1.113091       1.630046  
1 1 1 -18 21 30 o 36.88773 0.7097330 13.52909       0.5204230 11.59663       0.7058617 15.83070       0.7703362 -5.733360      1.419466  
1 1 1 -18 21 31 o 27.69322 0.7334993 7.691561       0.4040331 7.616121       0.6022364 7.753308       0.5448431 -0.2532444     1.466999  
1 1 1 -18 21 32 f 58.21733 0.7962341 33.97766       0.9270011 33.46654       1.312039  34.48713       1.309918  -0.8767700     1.592468  
1 1 1 -18 21 33 f 16.27716 0.9743447 2.695333       0.3107496 2.455718       0.4780156 2.870713       0.4089543 -1.283941      1.948689  
1 1 1 -18 21 34 o 58.42989 0.8007237 34.22346       0.9355581 33.32534       1.314264  35.14609       1.332074  -1.556011      1.601447  
1 1 1 -18 21 35 o 67.39223 0.8664718 45.49137       1.166980  43.76527       1.612936  47.38750       1.690514  -2.677582      1.732944  
1 1 1 -18 21 36 o 13.24372 2.046170  1.865744       0.5385538 1.367471       0.7900449 2.298267       0.7360759 -3.639486      4.092340  
1 1 1 -18 21 37 o 52.22004 0.7805224 27.30632       0.8143604 25.67419       1.129551  29.07292       1.175162  -3.248344      1.561045  
1 1 1 -18 21 38 o 25.92706 0.8081313 6.716523       0.4161643 6.968950       0.6313544 6.522578       0.5534088 0.8497887      1.616263  
1 1 1 -18 21 39 o 33.71842 0.7689057 11.46319       0.5149605 9.979387       0.7315571 12.92056       0.7250150 -4.362259      1.537811  
1 1 1 -18 21 40 o 7.320580 1.872485  0.4547853      0.3539536 0.3691973      0.5216143 0.5278292      0.4818760 -0.4835086     3.744971  
1 1 1 -18 21 41 o 21.99830 1.083533  4.894776       0.4736367 4.604405       0.6978269 5.142803       0.6449416 -1.234646      2.167067  
1 1 1 -18 21 42 o 29.11798 1.055082  8.552838       0.6047432 8.409791       0.9382321 8.654504       0.7909719 -0.4510307     2.110164  
1 1 1 -18 21 43 o 35.72385 1.035170  12.97183       0.7321124 11.33608       1.063795  14.44368       1.009096  -4.361351      2.070341  
1 1 1 -18 21 44 o 41.93391 1.036307  17.73176       0.8634573 17.44475       1.291399  17.96380       1.161180  -0.6488686     2.072615  
1 1 1 -18 21 45 o 8.324260 2.089531  0.6337906      0.4342168 0.3745204      0.7398437 0.7700242      0.5362973 -0.7799630     4.179061  
1 1 1 -18 21 46 o 20.36909 1.344617  4.111632       0.5381173 4.659867       0.8632396 3.763194       0.6881936 2.145241       2.689234  
1 1 1 -18 21 47 o 30.78078 1.127578  9.543184       0.6819655 9.653718       1.071861  9.468009       0.8839615 0.2483826      2.255157  
1 1 1 -18 21 48 o 19.74799 1.558669  4.180901       0.5728005 3.282271       0.9424948 4.707218       0.7212939 -3.688408      3.117337  
1 1 1 -18 22 1  o 38.22467 1.135712  14.66063       0.8669409 15.73131       1.235913  13.62349       1.216399  2.755188       2.271424  
1 1 1 -18 22 2  o 9.871464 2.260588  0.8771663      0.5349506 0.4101241      0.7293625 1.420925       0.7869883 -3.602731      4.521175  
1 1 1 -18 22 3  o 62.43887 1.227807  39.10482       1.532775  40.28240       2.199600  37.99321       2.137094  1.826527       2.455615  
1 1 1 -18 22 4  o 44.57524 1.119322  19.92868       0.9977078 20.44167       1.416870  19.42415       1.405147  1.140224       2.238644  
1 1 1 -18 22 5  o 74.28191 1.343521  55.34824       1.994705  57.47334       2.883676  53.39851       2.762125  2.728943       2.687042  
1 1 1 -18 22 6  o 64.34077 1.243016  41.22263       1.591046  38.53811       2.121083  44.67648       2.405888  -4.740250      2.486033  
1 1 1 -18 22 7  o 41.86631 1.115618  17.57343       0.9333841 18.57210       1.333757  16.61492       1.306669  2.334869       2.231235  
1 1 1 -18 22 8  o 73.61409 1.123412  54.87553       1.545401  52.86995       2.697028  55.85592       1.885659  -2.103462      2.246825  
1 1 1 -18 22 9  o 88.49726 1.014383  78.49949       1.795247  79.31077       2.559539  77.71391       2.518679  0.8986969      2.028766  
1 1 1 -18 22 10 o 58.31228 0.7592118 33.75959       0.8808224 36.90268       1.331330  31.31270       1.174669  4.783051       1.518424  
1 1 1 -18 22 11 o 31.39199 0.6115221 9.510176       0.3769820 12.08854       0.6039696 7.864533       0.4825150 6.721497       1.223044  
1 1 1 -18 22 12 o 41.32944 0.6494755 17.09781       0.5368329 16.92440       0.7561539 17.27404       0.7622758 -0.4226570     1.298951  
1 1 1 -18 22 13 o 72.64063 0.8794956 52.86248       1.277654  52.48700       1.794207  53.24875       1.819817  -0.5223618     1.758991  
1 1 1 -18 22 14 o 76.62566 1.092640  58.40662       1.587753  60.40570       2.739733  57.39571       1.948278  1.888321       2.185280  
1 1 1 -18 22 15 o 23.09322 0.7725855 5.019797       0.3455504 7.181296       0.5712807 3.772704       0.4339318 7.370523       1.545171  
1 1 1 -18 22 16 o 37.14085 0.8010488 13.82706       0.5945640 13.25447       0.8435028 14.39248       0.8382030 -1.532421      1.602098  
1 1 1 -18 22 17 o 45.55772 0.7776536 20.98433       0.7009925 22.55016       0.9484202 19.09898       1.040699  3.794510       1.555307  
1 1 1 -18 22 18 o 28.01491 0.6611766 7.872979       0.3693333 7.159685       0.5218869 8.588623       0.5227465 -2.550261      1.322353  
1 1 1 -18 22 19 o 42.76233 0.6833268 18.21432       0.5826867 19.59361       0.8656197 17.07149       0.7879348 2.943577       1.366654  
1 1 1 -18 22 20 o 82.20418 0.9697781 67.63864       1.592181  70.00919       2.327002  65.55195       2.183237  2.696579       1.939556  
1 1 1 -18 22 21 o 28.96039 0.6752156 8.381713       0.3898075 8.595947       0.5781460 8.203149       0.5278261 0.6746025      1.350431  
1 1 1 -18 22 22 o 68.12810 0.8542371 46.32457       1.160567  48.95492       1.723011  44.14012       1.570192  3.519753       1.708474  
1 1 1 -18 22 23 o 45.90746 0.7094299 21.10693       0.6512796 21.15837       0.9290024 21.05721       0.9132951 0.1089706      1.418860  
1 1 1 -18 22 24 o 77.10490 0.9316368 59.60705       1.436491  60.21147       2.051439  59.02557       2.012143  0.7648697      1.863274  
1 1 1 -18 22 25 o 37.56075 0.6891996 14.13165       0.5170527 13.18824       0.7256066 15.10483       0.7369717 -2.550400      1.378399  
1 1 1 -18 22 26 f 25.31363 0.7371824 6.259513       0.3685174 7.686257       0.5753844 5.267211       0.4798518 4.769592       1.474365  
1 1 1 -18 22 27 o 108.3630 1.218593  117.9992       2.640189  116.1582       3.678668  119.9549       3.791468  -1.734467      2.437186  
1 1 1 -18 22 28 o 45.41715 0.7298301 20.66281       0.6624829 20.80350       0.9561715 20.53291       0.9187343 0.2943115      1.459660  
1 1 1 -18 22 29 o 40.17492 0.7121863 16.16438       0.5716903 15.20185       0.7995856 17.17101       0.8177033 -2.448994      1.424373  
1 1 1 -18 22 30 o 78.89293 0.9526001 62.39477       1.501851  63.98405       2.177386  60.95250       2.074244  1.907898       1.905200  
1 1 1 -18 22 31 f 31.14399 0.7198758 9.724746       0.4473956 9.637835       0.6533681 9.801475       0.6139004 -0.2667103     1.439752  
1 1 1 -18 22 32 o 39.49451 0.7134018 15.56287       0.5614470 16.39375       0.8380455 14.88626       0.7562512 1.899967       1.426804  
1 1 1 -18 22 33 o 44.99722 0.7375473 20.28499       0.6631199 20.47829       0.9609634 20.10926       0.9162218 0.4051971      1.475095  
1 1 1 -18 22 34 o 16.98899 1.018923  2.997532       0.3327817 2.467225       0.5198386 3.365760       0.4331748 -2.657808      2.037846  
1 1 1 -18 22 35 o 16.90653 1.455742  2.680020       0.3974704 3.249204       0.9161491 2.548044       0.4411508 1.960378       2.911485  
1 1 1 -18 22 36 o 39.34295 0.7547665 15.54192       0.5914913 13.80425       0.8293349 17.34092       0.8438437 -4.492748      1.509533  
1 1 1 -18 22 37 o 25.16673 0.8177781 6.265431       0.4071580 6.949085       0.6346374 5.787200       0.5307945 2.293375       1.635556  
1 1 1 -18 22 38 o 59.75754 0.9061210 35.32064       1.062045  33.28489       1.357700  38.53029       1.704782  -4.332344      1.812242  
1 1 1 -18 22 39 o 27.60695 0.9561523 7.595411       0.5257349 8.477934       0.7861755 6.881495       0.7070984 2.876991       1.912305  
1 1 1 -18 22 40 o 48.80416 1.043933  23.94764       1.016696  21.82330       1.416464  26.20514       1.460184  -4.480152      2.087866  
1 1 1 -18 22 41 o 25.91230 1.087176  6.660990       0.5542249 7.299827       0.8813315 6.243109       0.7128047 2.001116       2.174351  
1 1 1 -18 22 42 o 32.83071 1.067870  11.03316       0.6896356 9.303429       1.013208  12.52621       0.9413369 -4.925087      2.135741  
1 1 1 -18 22 43 o 27.56447 1.134314  7.786090       0.6117843 6.933255       0.9370728 8.419642       0.8076658 -2.728230      2.268628  
1 1 1 -18 22 44 f 13.58817 1.869720  1.997453       0.4720823 1.686991       0.7906632 2.169445       0.5884932 -2.088376      3.739440  
1 1 1 -18 22 45 o 22.84344 1.275200  5.471702       0.5582139 4.438815       0.8729711 6.186170       0.7260471 -3.869963      2.550401  
1 1 1 -18 22 46 o 9.652969 2.253217  0.8656952      0.4869952 1.198470       0.8309295 0.6915811      0.6010433 2.257119       4.506433  
1 1 1 -18 22 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 23 1  o 65.04588 1.273774  42.51006       1.656567  42.39915       2.312867  42.62687       2.373799  -0.1669159     2.547549  
1 1 1 -18 23 2  o 62.88751 1.253305  39.73394       1.576246  40.04633       2.222884  39.41800       2.235466  0.5012093      2.506609  
1 1 1 -18 23 3  o 22.32482 1.459929  5.032596       0.6417213 6.212547       0.9265156 3.944633       0.8896675 5.073860       2.919858  
1 1 1 -18 23 4  o 78.14690 1.402881  61.28124       2.189831  64.21365       3.196837  58.68888       3.005765  3.507210       2.805762  
1 1 1 -18 23 5  o 31.61647 0.5769618 9.804299       0.3611298 11.66707       0.5592242 8.471826       0.4729724 5.048021       1.153924  
1 1 1 -18 23 6  o 25.61317 0.5590513 6.568155       0.2862828 6.476487       0.4084567 6.656668       0.4013666 -0.3521404     1.118103  
1 1 1 -18 23 7  f 36.14521 0.6092609 13.05090       0.4399274 13.67426       0.6412071 12.49650       0.6046995 1.626938       1.218522  
1 1 1 -18 23 8  o 73.81424 0.8858320 54.60048       1.307544  54.16320       1.830581  55.05595       1.868290  -0.6013260     1.771664  
1 1 1 -18 23 9  o 64.83599 0.8127762 42.07876       1.053333  43.22210       1.521643  41.02679       1.459570  1.687817       1.625552  
1 1 1 -18 23 10 o 28.58791 1.062343  8.955778       0.5308070 10.03446       0.6386834 6.546728       0.9544665 6.131924       2.124686  
1 1 1 -18 23 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 23 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 23 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 23 14 f 67.81174 1.812508  46.20784       2.458186  46.20784       2.458186  ?              ?         ?              ?         
1 1 1 -18 23 15 o 39.62452 0.9144461 15.77459       0.6347934 15.66819       1.245137  15.81196       0.7378898 -0.2285843     1.828892  
1 1 1 -18 23 16 o 78.84589 0.9399197 62.03398       1.477105  65.81489       2.202326  58.94248       1.991439  4.337143       1.879839  
1 1 1 -18 23 17 o 46.04894 0.6962194 21.23853       0.6411334 20.97249       0.9092492 21.50160       0.9041713 -0.5748825     1.392439  
1 1 1 -18 23 18 o 45.61166 0.6998540 20.63139       0.6348386 22.80349       0.9621928 18.95692       0.8448114 4.207653       1.399708  
1 1 1 -18 23 19 o 52.68611 0.7422123 27.77831       0.7815908 28.59068       1.130212  27.03373       1.082034  1.473564       1.484425  
1 1 1 -18 23 20 o 40.92575 0.6864167 16.77899       0.5615129 16.64462       0.8062351 16.90556       0.7824953 -0.3206711     1.372833  
1 1 1 -18 23 21 o 50.89475 0.7375085 25.75519       0.7472087 27.95507       1.125100  24.01924       0.9994490 3.855690       1.475017  
1 1 1 -18 23 22 o 80.33267 0.9583731 64.73646       1.539768  64.49814       2.175271  64.97578       2.179858  -0.2967529     1.916746  
1 1 1 -18 23 23 o 35.04296 0.6827900 12.25763       0.4773114 12.87541       0.7063464 11.73847       0.6475236 1.617188       1.365580  
1 1 1 -18 23 24 o 18.42159 0.8511904 3.483865       0.3060028 2.750935       0.4483889 4.122790       0.4186471 -3.726694      1.702381  
1 1 1 -18 23 25 o 11.50163 1.263628  1.312947       0.2715226 2.000901       0.4221633 0.8275846      0.3545960 5.228094       2.527256  
1 1 1 -18 23 26 o 27.70357 0.7268392 7.710302       0.3987669 6.373272       0.5556037 9.130713       0.5726664 -4.975025      1.453678  
1 1 1 -18 23 27 f 34.01488 0.7087190 11.57960       0.4803752 10.27035       0.6665334 12.99466       0.6929424 -4.002033      1.417438  
1 1 1 -18 23 28 o 20.86185 0.8658499 4.519125       0.3445584 3.003488       0.4919312 5.978755       0.4827566 -7.131947      1.731700  
1 1 1 -18 23 29 o 39.58209 0.7133994 15.71048       0.5643803 15.27449       0.8051347 16.13168       0.7913524 -1.084225      1.426799  
1 1 1 -18 23 30 o 32.01632 0.7244713 10.29212       0.4626567 9.963546       0.6729532 10.58662       0.6371080 -0.9768524     1.448943  
1 1 1 -18 23 31 o 46.40949 0.7361760 21.43186       0.6797398 23.07856       1.026981  20.14804       0.9067934 3.143845       1.472352  
1 1 1 -18 23 32 f 24.28925 0.7904434 5.807990       0.3790255 6.586468       0.5971380 5.282722       0.4905030 2.670122       1.580887  
1 1 1 -18 23 33 o 32.93171 0.7299177 10.79707       0.4783580 11.61686       0.7215339 10.15417       0.6389670 2.210396       1.459835  
1 1 1 -18 23 34 o 22.97695 0.8490924 5.110097       0.3829986 6.407873       0.6164884 4.294362       0.4887644 4.580069       1.698185  
1 1 1 -18 23 35 o 40.01656 0.7513583 16.09079       0.6001064 15.29309       0.8616154 16.84232       0.8363076 -1.939087      1.502717  
1 1 1 -18 23 36 o 28.64986 0.8468989 8.232806       0.4850997 8.021682       0.6752988 8.457911       0.6972992 -0.7579288     1.693798  
1 1 1 -18 23 37 o 30.04187 1.011559  9.187735       0.6000976 7.845953       0.8724785 10.39241       0.8267029 -4.246958      2.023118  
1 1 1 -18 23 38 o 30.59942 1.023580  9.380761       0.6163766 9.627144       0.9672995 9.212328       0.7997757 0.6437569      2.047160  
1 1 1 -18 23 39 o 19.82291 1.315747  4.178368       0.4931517 3.127157       0.7705426 4.907686       0.6418152 -4.524620      2.631495  
1 1 1 -18 23 40 f 54.63776 1.089575  29.94264       1.183018  31.22255       1.791831  28.95360       1.575120  2.023563       2.179149  
1 1 1 -18 23 41 o 27.90925 1.083824  7.658782       0.5925725 8.761454       0.9610849 6.982509       0.7526612 3.137108       2.167647  
1 1 1 -18 23 42 o 23.89419 1.209298  5.691376       0.5622150 6.070440       0.9197436 5.465240       0.7103882 1.208395       2.418596  
1 1 1 -18 23 43 o 51.00779 1.090722  25.98927       1.101072  27.86196       1.706542  24.65370       1.441179  3.073902       2.181445  
1 1 1 -18 23 44 o 17.62501 1.493149  3.157595       0.5165773 3.142251       0.8108106 3.168079       0.6702085 -0.1252804     2.986298  
1 1 1 -18 23 45 o 22.55572 2.717908  0.000000       0.000000  ?              ?         5.219145       1.226087  ?              ?         
1 1 1 -18 24 1  o 52.14006 1.189076  26.89740       1.228667  24.34792       1.610177  30.45103       1.901008  -5.811852      2.378152  
1 1 1 -18 24 2  o 18.40187 1.730723  3.447909       0.6307914 3.925540       0.8820437 2.947917       0.9024538 2.660383       3.461446  
1 1 1 -18 24 3  o 22.05297 1.526740  4.897785       0.6732042 4.756436       0.9406357 5.046213       0.9638996 -0.6529102     3.053480  
1 1 1 -18 24 4  f 55.79906 0.7367121 31.10320       0.8208815 32.77500       1.202487  29.64420       1.123353  2.798767       1.473424  
1 1 1 -18 24 5  o 28.75221 0.5676993 8.262407       0.3261752 8.602349       0.4732791 7.954876       0.4501523 1.124464       1.135399  
1 1 1 -18 24 6  o 31.76278 0.5907838 10.07226       0.3746659 10.57145       0.5497451 9.639299       0.5119832 1.464849       1.181568  
1 1 1 -18 24 7  f 26.58136 0.6173452 7.076359       0.3246765 7.059894       0.4965712 7.088654       0.4291055 -0.5877876E-01 1.234690  
1 1 1 -18 24 8  o 52.31599 0.9022449 27.43258       0.9437016 27.72716       1.355625  27.15560       1.314515  0.5420723      1.804490  
1 1 1 -18 24 9  o 27.80610 0.6857776 7.756038       0.3807387 7.342467       0.5433683 8.154956       0.5336547 -1.461740      1.371555  
1 1 1 -18 24 10 o 90.95988 1.739900  83.13861       3.165221  83.13861       3.165221  ?              ?         ?              ?         
1 1 1 -18 24 11 o 69.17935 0.8549989 47.96939       1.182934  47.79955       1.665714  48.14221       1.680222  -0.2462540     1.709998  
1 1 1 -18 24 12 o 27.22296 0.6203782 7.393080       0.3367880 7.761214       0.4997663 7.086816       0.4558391 1.235519       1.240756  
1 1 1 -18 24 13 o 63.93681 0.8144441 40.92297       1.040718  39.81570       1.438994  42.13730       1.506952  -1.809113      1.628888  
1 1 1 -18 24 14 o 20.77163 0.6788570 4.345889       0.2801435 4.052916       0.4119010 4.598051       0.3821366 -1.314575      1.357714  
1 1 1 -18 24 15 o 95.36775 1.089962  91.20427       2.077064  93.79211       3.016041  88.86975       2.864628  2.561066       2.179924  
1 1 1 -18 24 16 o 36.72511 0.6615580 13.51064       0.4857560 13.11632       0.6871595 13.90450       0.6867660 -1.073116      1.323116  
1 1 1 -18 24 17 o 70.78586 0.8782917 50.09137       1.241059  52.63239       1.825082  47.90575       1.692637  3.324333       1.756583  
1 1 1 -18 24 18 o 46.27906 0.7063315 21.42343       0.6529954 22.08773       0.9517573 20.83260       0.8975729 1.351227       1.412663  
1 1 1 -18 24 19 o 44.40741 0.9855041 19.71678       0.7678499 19.63789       0.8919147 19.94265       1.509218  -0.2672081     1.971008  
1 1 1 -18 24 20 f 35.03339 1.017370  12.52931       0.6738128 12.99788       0.8360137 11.66062       1.138315  1.948158       2.034739  
1 1 1 -18 24 21 o 85.71212 1.491735  74.07548       2.556765  73.58045       3.578290  74.59181       3.654538  -0.5747375     2.983470  
1 1 1 -18 24 22 o 41.92527 1.148328  17.62393       0.9615161 18.96253       1.395924  16.41549       1.326323  3.026772       2.296656  
1 1 1 -18 24 23 o 40.98529 1.159328  16.88408       0.9499843 16.84630       1.325619  16.92395       1.362084  -0.8896255E-01 2.318656  
1 1 1 -18 24 24 o 41.15773 1.160761  17.01141       0.9543742 18.20669       1.372057  15.89101       1.328380  2.806137       2.321522  
1 1 1 -18 24 25 o 37.99091 1.175193  14.50978       0.8926784 14.02966       1.252013  15.00624       1.273128  -1.281731      2.350385  
1 1 1 -18 24 26 o 52.70480 1.190237  27.93385       1.254449  28.32889       1.792504  27.55466       1.756171  0.7281876      2.380475  
1 1 1 -18 24 27 o 22.20353 1.235743  4.610121       0.5253175 6.257360       0.9211449 3.816182       0.6395042 5.445856       2.471486  
1 1 1 -18 24 28 o 36.59016 0.9920322 14.01638       0.6430013 12.18760       1.195239  14.76122       0.7627856 -3.578968      1.984064  
1 1 1 -18 24 29 o 10.12220 2.052933  0.7881123      0.3454193 1.632617       0.8765327 0.6328544      0.3758322 4.587327       4.105867  
1 1 1 -18 24 30 o 78.65868 1.216409  61.70184       1.750990  63.83994       3.229766  60.81182       2.083800  1.690704       2.432819  
1 1 1 -18 24 31 o 49.47098 0.9977105 24.82150       0.8920472 24.06072       1.653887  25.13363       1.059347  -1.185715      1.995421  
1 1 1 -18 24 32 o 37.39889 0.9950182 14.17144       0.6477347 13.81951       1.276481  14.29349       0.7517040 -0.7224236     1.990036  
1 1 1 -18 24 33 o 34.20619 1.071305  11.51988       0.6607794 12.34452       1.260285  11.20724       0.7759926 1.571480       2.142610  
1 1 1 -18 24 34 o 51.60468 1.126112  26.75276       1.136452  27.06916       1.812191  26.54767       1.458997  0.4318504      2.252223  
1 1 1 -18 24 35 o 55.98005 1.492957  0.000000       0.000000  ?              ?         31.53080       1.671516  ?              ?         
1 1 1 -18 24 36 o 32.99975 1.311441  0.000000       0.000000  ?              ?         10.94275       0.8655447 ?              ?         
1 1 1 -18 24 37 o 21.71853 2.421815  0.000000       0.000000  ?              ?         4.799623       1.051965  ?              ?         
1 1 1 -18 24 38 o 24.54799 2.396089  0.000000       0.000000  ?              ?         6.135395       1.176383  ?              ?         
1 1 1 -18 24 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 24 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 24 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 24 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 24 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 25 1  o 28.14609 1.375330  7.962521       0.7731094 7.685141       1.059595  8.278285       1.130533  -1.040586      2.750660  
1 1 1 -18 25 2  f 42.68508 1.203416  18.25924       1.024705  20.21387       1.492920  16.51814       1.409021  4.315636       2.406831  
1 1 1 -18 25 3  o 50.97226 1.243316  26.03360       1.265078  24.20057       1.730550  28.13749       1.854003  -3.841515      2.486633  
1 1 1 -18 25 4  o 30.18087 0.6370178 9.114186       0.3842130 9.324169       0.5567201 8.923219       0.5309162 0.6620865      1.274036  
1 1 1 -18 25 5  o 35.93760 0.7042863 12.83177       0.5040964 11.66986       0.6774543 14.27322       0.7545633 -3.614952      1.408573  
1 1 1 -18 25 6  o 19.49311 0.6239601 3.823062       0.2421187 3.516372       0.3496784 4.105508       0.3355722 -1.512281      1.247920  
1 1 1 -18 25 7  o 26.79272 0.6201472 6.952833       0.3266322 5.887534       0.4181828 8.619618       0.5230827 -5.090088      1.240294  
1 1 1 -18 25 8  o 54.07921 0.7405458 29.30171       0.8009233 29.65332       1.139065  28.95788       1.126395  0.6417618      1.481092  
1 1 1 -18 25 9  o 62.10227 1.268175  38.79612       1.575094  39.06481       2.226116  38.52677       2.228924  0.4336586      2.536349  
1 1 1 -18 25 10 o 17.99495 0.6687634 3.273729       0.2380371 2.753969       0.3400765 3.772970       0.3332965 -2.831940      1.337527  
1 1 1 -18 25 11 o 9.607868 0.9952207 0.9255427      0.1881288 0.9318665      0.2941777 0.9211668      0.2447093 0.4924107E-01  1.990441  
1 1 1 -18 25 12 o 56.60246 0.7620009 32.08204       0.8621919 32.91065       1.243604  31.31513       1.196411  1.404659       1.524002  
1 1 1 -18 25 13 f 56.30149 0.7613629 31.75553       0.8571010 31.24406       1.195828  32.29586       1.229105  -0.9307098     1.522726  
1 1 1 -18 25 14 f 64.38187 0.8223485 41.16037       1.052177  45.02944       1.601748  38.22359       1.395490  5.262760       1.644697  
1 1 1 -18 25 15 o 28.88001 0.6529874 8.362677       0.3767493 7.973779       0.5356908 8.743303       0.5299634 -1.332785      1.305975  
1 1 1 -18 25 16 o 58.88511 0.7832515 34.68557       0.9212921 36.15449       1.344536  33.38549       1.264914  2.342728       1.566503  
1 1 1 -18 25 17 o 51.06335 0.7360626 25.99788       0.7497632 24.23842       1.017217  28.09076       1.109423  -3.762875      1.472125  
1 1 1 -18 25 18 o 10.75870 1.168392  1.142959       0.2378961 1.634400       0.3714306 0.8011344      0.3097727 3.998965       2.336784  
1 1 1 -18 25 19 o 54.83272 0.7638459 30.03728       0.8362062 28.46538       1.142201  31.85288       1.227555  -3.079868      1.527692  
1 1 1 -18 25 20 o 70.67621 0.8807542 50.05192       1.243973  51.43349       1.803526  48.79818       1.718070  1.853645       1.761508  
1 1 1 -18 25 21 f 14.70572 0.9947700 2.292184       0.2761295 1.536624       0.4109171 2.914281       0.3728628 -4.689285      1.989540  
1 1 1 -18 25 22 o 36.37975 0.6860459 13.23687       0.4982538 13.63485       0.7310503 12.89162       0.6808948 1.016460       1.372092  
1 1 1 -18 25 23 o 8.510193 1.456078  0.6838960      0.2522489 1.197675       0.4094569 0.3696317      0.3202341 4.443062       2.912155  
1 1 1 -18 25 24 o 48.45409 0.7388510 23.53265       0.7159858 23.53092       1.016454  23.53436       1.008704  -0.4409790E-02 1.477702  
1 1 1 -18 25 25 o 36.41962 0.7094217 13.29015       0.5159208 13.35579       0.7518938 13.23175       0.7092194 0.1655006      1.418843  
1 1 1 -18 25 26 o 28.74540 0.7336934 8.276272       0.4199763 8.364655       0.6252006 8.203594       0.5669370 0.2730408      1.467387  
1 1 1 -18 25 27 o 37.99908 0.7201852 14.40341       0.5454059 15.31932       0.8138568 13.65674       0.7348245 2.177780       1.440370  
1 1 1 -18 25 28 o 51.32125 0.7703134 26.15926       0.7856117 28.66597       1.196448  24.25934       1.041620  4.272175       1.540627  
1 1 1 -18 25 29 o 34.29883 0.7322683 11.74823       0.4997754 12.24642       0.7515564 11.35328       0.6691735 1.291359       1.464537  
1 1 1 -18 25 30 o 34.07069 0.7940211 11.61471       0.5380093 13.42283       0.7824116 9.992943       0.7409968 5.027657       1.588042  
1 1 1 -18 25 31 o 6.764997 1.699040  0.3483234      0.3152516 -0.2604571E-01 0.4691114 0.6566225      0.4257082 -2.505704      3.398080  
1 1 1 -18 25 32 o 50.33529 0.9277579 25.46180       0.9315049 27.94083       1.331443  23.08504       1.303689  4.818485       1.855516  
1 1 1 -18 25 33 o 22.03658 1.085514  4.747538       0.4688387 5.596648       0.7611109 4.228338       0.5951603 3.068701       2.171028  
1 1 1 -18 25 34 o 27.66625 1.020750  7.767072       0.5554708 7.295058       0.8523538 8.115525       0.7323426 -1.507509      2.041501  
1 1 1 -18 25 35 o 54.74760 1.067034  30.20343       1.167563  29.07569       1.656791  31.31604       1.645632  -2.048702      2.134067  
1 1 1 -18 25 36 o 6.369283 1.668528  0.1806758E-01  0.3770370 -1.227698      0.6273746 0.7223820      0.4717284 -4.050242      3.337057  
1 1 1 -18 25 37 o 31.02284 1.013189  9.743675       0.6212702 9.277127       0.9409576 10.10425       0.8272099 -1.358648      2.026379  
1 1 1 -18 25 38 o 38.94354 1.001679  15.29715       0.7755567 14.96343       1.154515  15.57158       1.046962  -0.8058052     2.003358  
1 1 1 -18 25 39 o 52.76301 1.078771  28.02403       1.133739  28.52214       1.687519  27.61423       1.530635  0.8184853      2.157541  
1 1 1 -18 25 40 o 17.04513 1.438466  2.851161       0.4782827 3.385484       0.7891142 2.540895       0.6013200 2.410112       2.876932  
1 1 1 -18 25 41 o 60.62888 1.171936  36.82615       1.407937  39.13231       2.167786  35.14363       1.851629  3.198189       2.343872  
1 1 1 -18 26 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 26 3  o 22.86642 0.5625366 5.168493       0.2556114 4.559570       0.3401867 5.958044       0.3873700 -3.054102      1.125073  
1 1 1 -18 26 4  o 62.61031 0.8017568 39.18769       1.001553  37.74982       1.360973  40.88627       1.479225  -2.491188      1.603514  
1 1 1 -18 26 5  o 34.11485 0.6055424 11.63982       0.4128737 12.10021       0.5974183 11.21888       0.5712441 1.289463       1.211085  
1 1 1 -18 26 6  o 81.42194 0.9604965 66.53251       1.564012  67.22671       2.227121  65.85703       2.196882  0.8369904      1.920993  
1 1 1 -18 26 7  o 11.08175 0.7725077 1.178261       0.1673331 1.589937       0.2688234 0.9178532      0.2138039 3.026408       1.545015  
1 1 1 -18 26 8  o 93.83891 1.358655  89.21925       2.385690  87.23239       4.166728  90.18825       2.909857  -1.811562      2.717311  
1 1 1 -18 26 9  o 23.18349 0.6210895 5.367623       0.2871960 5.582218       0.4251352 5.187485       0.3895118 0.8481941      1.242179  
1 1 1 -18 26 10 o 58.69776 0.7778256 34.53190       0.9130070 34.88625       1.304295  34.19145       1.278466  0.5889893      1.555651  
1 1 1 -18 26 11 f 40.82721 0.6665259 16.48373       0.5407139 14.67000       0.7181118 18.85836       0.8216798 -5.119514      1.333052  
1 1 1 -18 26 12 o 22.77307 0.6530495 5.206401       0.2965081 5.029484       0.4324167 5.363407       0.4073562 -0.7354984     1.306099  
1 1 1 -18 26 13 o 44.83849 0.6920304 20.14255       0.6205494 19.81416       0.8734911 20.47718       0.8817459 -0.7385216     1.384061  
1 1 1 -18 26 14 o 51.23929 0.7300397 26.31273       0.7480572 26.27774       1.065202  26.34679       1.050771  -0.6892014E-01 1.460079  
1 1 1 -18 26 15 o 37.07693 0.6683198 13.77221       0.4953539 13.21686       0.6969190 14.33925       0.7042104 -1.512894      1.336640  
1 1 1 -18 26 16 f 60.91681 0.8016153 37.19918       0.9765192 36.68466       1.368107  37.73358       1.394278  -0.8578758     1.603231  
1 1 1 -18 26 17 o 57.52937 0.7765754 33.04932       0.8913812 35.04193       1.317553  31.36749       1.210453  3.181316       1.553151  
1 1 1 -18 26 18 o 51.45654 0.7417018 26.47638       0.7623867 25.19125       1.047853  27.92183       1.111298  -2.646297      1.483404  
1 1 1 -18 26 19 o 25.27184 0.7090812 6.421261       0.3568860 6.128755       0.5219840 6.678021       0.4890501 -1.090258      1.418162  
1 1 1 -18 26 20 o 53.96049 0.7646340 29.06860       0.8234255 27.13605       1.121903  31.32530       1.212348  -3.870899      1.529268  
1 1 1 -18 26 21 o 74.15643 0.9184167 55.13343       1.360982  53.50016       1.878168  56.93931       1.974914  -2.304306      1.836833  
1 1 1 -18 26 22 o 43.49669 0.7220973 18.95652       0.6276951 17.93730       0.8773385 20.02533       0.8984269 -2.397633      1.444195  
1 1 1 -18 26 23 o 19.46176 0.8273881 3.690855       0.3173071 4.645431       0.4983602 3.040049       0.4114942 4.111940       1.654776  
1 1 1 -18 26 24 o 5.695405 1.530754  0.2179321      0.2506441 -0.2922517E-01 0.4077158 0.3680828      0.3177858 -1.141335      3.061507  
1 1 1 -18 26 25 o 32.84648 0.7254230 10.82499       0.4755888 10.68776       0.6925722 10.94745       0.6542325 -0.4002113     1.450846  
1 1 1 -18 26 26 o 55.58854 0.7929055 31.00080       0.8814512 30.61206       1.248831  31.38673       1.244302  -0.6974297     1.585811  
1 1 1 -18 26 27 o 11.43021 1.457123  1.424142       0.3131741 0.8795888      0.4610080 1.890796       0.4267621 -4.556221      2.914246  
1 1 1 -18 26 28 o 39.14631 0.8199179 15.35596       0.6346140 15.22948       0.8351046 15.52882       0.9763071 -0.3607559     1.639836  
1 1 1 -18 26 29 o 36.74418 0.8476561 13.49938       0.6211004 15.04384       0.9083105 12.14303       0.8512049 3.937893       1.695312  
1 1 1 -18 26 30 f 31.68925 0.9342320 10.14277       0.5868163 9.663394       0.8788399 10.52845       0.7882915 -1.381672      1.868464  
1 1 1 -18 26 31 o 8.875912 1.863348  0.7609082      0.3471658 1.064982       0.5766730 0.5880617      0.4347807 2.353646       3.726695  
1 1 1 -18 26 32 o 32.82000 0.9616869 10.91899       0.6256694 9.440719       0.8970570 12.31933       0.8730899 -4.390434      1.923374  
1 1 1 -18 26 33 o 18.06100 1.209285  3.087792       0.4226098 4.438796       0.7008901 2.316036       0.5297387 5.830672       2.418569  
1 1 1 -18 26 34 o 17.40434 1.368020  3.308343       0.4389110 2.184769       0.6860893 4.086723       0.5710520 -5.496468      2.736041  
1 1 1 -18 26 35 o 36.89957 0.9781137 13.76270       0.7175989 12.99556       1.055444  14.42218       0.9785852 -1.950211      1.956227  
1 1 1 -18 26 36 o 30.54514 1.022553  9.528444       0.6157399 8.204404       0.9057175 10.66626       0.8396105 -4.045803      2.045107  
1 1 1 -18 26 37 o 37.89694 1.005383  14.54594       0.7570941 13.55653       1.111376  15.40267       1.034174  -2.455215      2.010767  
1 1 1 -18 26 38 o 10.75924 2.013742  1.217608       0.4316263 1.298088       0.6960014 1.167314       0.5502054 0.5655231      4.027484  
1 1 1 -18 26 39 o 8.611052 3.493237  0.000000       0.000000  ?              ?         0.3632101      0.9409424 ?              ?         
1 1 1 -18 27 1  f 61.31793 1.317235  37.91170       1.615198  38.45234       2.278642  37.36572       2.289871  0.8885193      2.634470  
1 1 1 -18 27 2  o 51.81081 1.258271  27.04453       1.302954  27.13937       1.811389  26.94285       1.875599  0.2029228      2.516542  
1 1 1 -18 27 3  o 9.829045 1.547679  1.586207       0.1896033 -0.4154930     0.8466044 1.691908       0.1945449 -6.339931      3.095358  
1 1 1 -18 27 4  o 11.25343 0.6682185 1.222197       0.1469740 1.666173       0.2322611 0.9256812      0.1898108 3.285572       1.336437  
1 1 1 -18 27 5  o 55.07029 0.7481678 30.39992       0.8239177 30.20975       1.153982  30.59767       1.176742  -0.3495102     1.496336  
1 1 1 -18 27 6  o 35.79727 0.6307061 12.83198       0.4514053 12.38189       0.6320409 13.30060       0.6449209 -1.281940      1.261412  
1 1 1 -18 27 7  o 22.51607 0.6251914 4.890747       0.2755871 6.572179       0.4365878 3.777009       0.3553230 6.199131       1.250383  
1 1 1 -18 27 8  o 37.69462 0.6465119 14.19835       0.4867516 13.32877       0.6698179 15.17142       0.7085558 -2.440247      1.293024  
1 1 1 -18 27 9  o 46.65338 0.6982715 21.78648       0.6510504 22.47690       0.9432432 21.15827       0.8997447 1.408447       1.396543  
1 1 1 -18 27 10 o 32.21811 0.6328375 10.39976       0.4075296 9.934067       0.5737759 10.87385       0.5789261 -1.457954      1.265675  
1 1 1 -18 27 11 o 34.23167 0.6420553 11.59587       0.4365617 13.01532       0.6666785 10.53028       0.5776342 3.620617       1.284111  
1 1 1 -18 27 12 o 39.05116 0.6651402 15.26043       0.5190724 14.45742       0.7205184 16.12686       0.7484357 -2.134510      1.330280  
1 1 1 -18 27 13 o 42.27354 0.6847832 17.88937       0.5784028 18.34135       0.8403816 17.48256       0.7972887 1.010914       1.369566  
1 1 1 -18 27 14 o 45.17134 0.7028866 20.26175       0.6319983 18.38461       0.8462055 22.62964       0.9504026 -4.686600      1.405773  
1 1 1 -18 27 15 f 17.86243 0.7744411 3.230927       0.2739426 2.813938       0.3968911 3.610334       0.3785837 -2.231632      1.548882  
1 1 1 -18 27 16 o 78.36270 0.9485804 61.67357       1.486610  61.33948       2.091385  62.01478       2.113558  -0.4272537     1.897161  
1 1 1 -18 27 17 o 19.63177 0.7865216 3.950054       0.2984341 2.784318       0.4213809 5.123219       0.4227215 -5.956749      1.573043  
1 1 1 -18 27 18 o 38.74454 0.6904446 15.01674       0.5342877 15.60754       0.7808843 14.49671       0.7326172 1.427677       1.380889  
1 1 1 -18 27 19 o 10.25357 1.246907  1.051711       0.2477163 1.221200       0.3908555 0.9379261      0.3202481 1.508149       2.493814  
1 1 1 -18 27 20 o 24.49451 0.7350954 6.056428       0.3576396 5.517911       0.5212708 6.535366       0.4915906 -2.080730      1.470191  
1 1 1 -18 27 21 f 41.20709 0.7135167 16.99735       0.5872390 15.79361       0.8146616 18.29936       0.8472601 -3.036331      1.427033  
1 1 1 -18 27 22 o 26.17062 0.7631651 6.865463       0.3992028 6.532477       0.5581198 7.214270       0.5712242 -1.300806      1.526330  
1 1 1 -18 27 23 o 20.40040 0.8904187 4.130845       0.3563196 5.401014       0.5341481 3.112437       0.4782904 5.600222       1.780837  
1 1 1 -18 27 24 o 19.05686 0.9169602 3.656104       0.3479770 3.251671       0.4902938 4.066597       0.4939541 -2.137516      1.833920  
1 1 1 -18 27 25 o 36.21594 0.8281691 13.17132       0.5995440 13.60758       0.8456152 12.73034       0.8501698 1.211845       1.656338  
1 1 1 -18 27 26 o 9.592355 1.710652  0.9300647      0.3217331 1.179395       0.5266906 0.7816457      0.4063618 1.930510       3.421303  
1 1 1 -18 27 27 f 41.55304 0.9183656 17.32413       0.7597705 17.60556       1.133538  17.09457       1.023781  0.5946884      1.836731  
1 1 1 -18 27 28 o 7.440908 1.639270  0.5451293      0.3128650 -0.7849080E-01 0.5230730 0.8925142      0.3903981 -3.524600      3.278541  
1 1 1 -18 27 29 o 37.81732 0.9188942 14.38804       0.6914864 14.26699       1.028648  14.48785       0.9340073 -0.3112640     1.837788  
1 1 1 -18 27 30 o 29.97139 0.9410831 9.087834       0.5583034 8.602852       0.8392206 9.472895       0.7477865 -1.470472      1.882166  
1 1 1 -18 27 31 o 46.77602 0.9949817 22.01484       0.9271420 22.02180       1.373544  22.00902       1.256600  -0.1203918E-01 1.989963  
1 1 1 -18 27 32 o 27.94906 0.9829409 7.881698       0.5405579 7.736380       0.8393796 7.984673       0.7065858 -0.4737606     1.965882  
1 1 1 -18 27 33 o 7.036236 1.837403  0.2186361      0.3590992 0.8018856      0.5901807 -0.1242294     0.4525011 3.810427       3.674806  
1 1 1 -18 27 34 o 26.35394 1.004814  6.890585       0.5211486 7.563324       0.8279260 6.449106       0.6706924 2.074455       2.009628  
1 1 1 -18 27 35 f 28.36354 1.032938  8.243422       0.5749595 7.173511       0.8644482 9.092224       0.7699605 -3.406315      2.065875  
1 1 1 -18 27 36 o 17.80939 1.280701  3.241783       0.4449725 3.041496       0.6994306 3.377968       0.5767402 -0.9827023     2.561402  
1 1 1 -18 27 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 28 1  o 54.98775 1.459296  30.55935       1.424190  30.55846       1.667435  30.56178       2.738425  0.2669640      2.918591  
1 1 1 -18 28 2  o 62.62769 0.8932192 39.19643       1.114764  41.45214       1.663993  37.35972       1.501524  3.241535       1.786438  
1 1 1 -18 28 3  o 67.88995 0.8950719 46.35128       1.212981  47.85797       1.681962  44.71846       1.750944  2.323105       1.790144  
1 1 1 -18 28 4  o 77.80112 0.9899384 60.89756       1.538230  64.21619       2.167084  57.52758       2.183783  4.301453       1.979877  
1 1 1 -18 28 5  o 62.61255 0.8483402 39.38921       1.059652  40.03750       1.454835  38.65664       1.546510  1.116417       1.696680  
1 1 1 -18 28 6  o 10.99367 1.884679  1.728831       0.2714268 1.842182       0.2800424 -0.2877667E-01 1.102740  5.122002       3.769358  
1 1 1 -18 28 7  o 50.43761 1.473745  25.64374       1.425429  25.46427       1.776880  25.96777       2.387482  -0.3419266     2.947490  
1 1 1 -18 28 8  o 46.98460 1.282633  22.27102       1.204304  22.70313       1.680277  21.81457       1.726969  0.9561501      2.565266  
1 1 1 -18 28 9  f 8.589889 2.403739  0.4232401      0.6171498 0.2436595      0.8814663 0.5959136      0.8643486 -0.8488483     4.807478  
1 1 1 -18 28 10 o 28.75546 1.084338  8.737324       0.4759436 7.670275       1.091866  8.987633       0.5288289 -2.389620      2.168676  
1 1 1 -18 28 11 o 16.20794 0.7805102 2.658835       0.2506816 2.377239       0.3667290 2.905815       0.3434497 -1.633794      1.561020  
1 1 1 -18 28 12 o 59.82425 0.8503764 36.02487       1.013886  37.54029       1.395882  34.33258       1.475098  2.692825       1.700753  
1 1 1 -18 28 13 o 42.39529 0.7283964 18.04799       0.6161885 19.46904       0.8717983 16.62939       0.8710464 3.348907       1.456793  
1 1 1 -18 28 14 o 64.61100 0.8959855 42.02591       1.153463  43.45026       1.581147  40.40556       1.686423  2.372925       1.791971  
1 1 1 -18 28 15 o 23.88887 0.7307987 5.624053       0.3447540 4.520417       0.4581231 7.065176       0.5235034 -5.317739      1.461597  
1 1 1 -18 28 16 o 30.02579 0.7268211 9.036542       0.4342258 9.007366       0.5847557 9.072407       0.6483294 -0.9995651E-01 1.453642  
1 1 1 -18 28 17 o 28.68861 0.7458441 8.108344       0.4241376 7.066478       0.5579910 9.534041       0.6527322 -4.287619      1.491688  
1 1 1 -18 28 18 o 16.86313 0.9235903 2.743803       0.3039476 3.779189       0.4824567 2.062416       0.3913848 5.074699       1.847181  
1 1 1 -18 28 19 o 10.00932 1.393970  1.084112       0.2676012 0.7490844      0.4045409 1.344767       0.3568249 -3.099773      2.787941  
1 1 1 -18 28 20 o 36.86312 0.8518862 13.64926       0.6262895 12.34254       0.8770104 15.00912       0.8946677 -3.613941      1.703772  
1 1 1 -18 28 21 o 22.38784 0.8918580 5.090554       0.3947362 4.514958       0.5816597 5.581961       0.5374412 -2.390755      1.783716  
1 1 1 -18 28 22 o 41.43259 0.8920883 17.26524       0.7382534 16.41343       1.051168  18.09435       1.037070  -2.031013      1.784177  
1 1 1 -18 28 23 f 42.67554 0.9047489 18.25983       0.7691386 18.70549       1.145690  17.89418       1.037755  0.9307556      1.809498  
1 1 1 -18 28 24 f 26.41730 0.8954063 6.840149       0.4651334 7.954454       0.7455127 6.129926       0.5951836 3.424665       1.790813  
1 1 1 -18 28 25 o 9.459615 1.667065  0.8668051      0.3133803 1.352338       0.5177282 0.5860462      0.3936946 3.729361       3.334130  
1 1 1 -18 28 26 o 22.55741 0.9551952 5.018811       0.4255118 5.743031       0.6696885 4.528472       0.5510430 2.666876       1.910390  
1 1 1 -18 28 27 o 38.67620 0.9149576 15.05793       0.7061036 13.86778       0.9977498 16.25206       0.9994149 -3.082027      1.829915  
1 1 1 -18 28 28 o 34.66010 0.9146879 12.04666       0.6301876 12.34425       0.9500254 11.81283       0.8421363 0.7444839      1.829376  
1 1 1 -18 28 29 o 10.70229 1.695180  1.298706       0.3639460 0.6804245      0.5803940 1.699368       0.4672172 -4.530214      3.390359  
1 1 1 -18 28 30 f 35.70865 0.9461933 12.84837       0.6712486 12.65045       1.004820  13.00788       0.9020512 -0.5237656     1.892387  
1 1 1 -18 28 31 o 16.45452 1.375634  2.935699       0.4204288 2.060117       0.6643557 3.520594       0.5429897 -4.477505      2.751268  
1 1 1 -18 28 32 o 35.28863 0.9540092 12.49269       0.6665143 12.80782       1.023156  12.26037       0.8784851 0.7414360      1.908018  
1 1 1 -18 28 33 o 36.76362 0.9628849 13.64417       0.7052386 13.01794       1.028904  14.19909       0.9685467 -1.620583      1.925770  
1 1 1 -18 28 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 29 2  o 28.07125 0.6278023 7.873012       0.3517478 7.216281       0.4838241 8.609290       0.5122882 -2.477646      1.255605  
1 1 1 -18 29 3  o 57.67202 0.9615519 33.15023       1.102300  35.93344       1.675107  31.02456       1.463924  4.215462       1.923104  
1 1 1 -18 29 4  o 45.26500 0.8140199 20.55068       0.7364132 20.93653       1.065285  20.19753       1.019138  0.8088531      1.628040  
1 1 1 -18 29 5  o 81.66141 1.291388  66.88549       2.098418  71.36267       3.165041  63.37388       2.803047  4.798927       2.582777  
1 1 1 -18 29 6  o 46.61095 1.206365  21.81402       1.124596  21.81402       1.124596  ?              ?         ?              ?         
1 1 1 -18 29 7  o 73.26540 1.180444  54.05868       1.729002  52.86384       2.403339  55.34049       2.489280  -1.670189      2.360887  
1 1 1 -18 29 8  o 62.50364 1.041001  39.26529       1.300630  38.15479       1.803693  40.46823       1.877250  -1.835560      2.082002  
1 1 1 -18 29 9  o 72.37025 1.172556  52.77650       1.697150  52.52209       2.399793  53.03103       2.400472  -0.3514633     2.345112  
1 1 1 -18 29 10 o 25.89277 0.7217744 6.574327       0.3692239 7.742316       0.5797574 5.777361       0.4789020 3.779997       1.443549  
1 1 1 -18 29 11 o 29.86194 0.7386069 8.893197       0.4388615 9.432538       0.6617597 8.469774       0.5863481 1.600979       1.477214  
1 1 1 -18 29 12 o 51.91088 0.9289023 26.91094       0.9598018 28.73456       1.445041  25.47129       1.283927  3.113380       1.857805  
1 1 1 -18 29 13 o 48.37207 0.8949499 23.43604       0.8636885 24.43564       1.276055  22.59096       1.173286  1.888432       1.789900  
1 1 1 -18 29 14 o 42.64782 0.8454845 18.24055       0.7205858 17.26123       1.001798  19.29040       1.037251  -2.372997      1.690969  
1 1 1 -18 29 15 o 26.15654 0.9220608 6.983750       0.4703220 7.446502       0.6136485 6.324888       0.7322224 2.165653       1.844122  
1 1 1 -18 29 16 o 9.168395 2.192044  0.8860176      0.3970963 0.8860176      0.3970963 ?              ?         ?              ?         
1 1 1 -18 29 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 29 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 29 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 29 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 29 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 29 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 29 23 o 61.11762 1.517095  0.000000       0.000000  ?              ?         37.62387       1.854425  ?              ?         
1 1 1 -18 29 24 o 17.41017 1.396364  0.000000       0.000000  ?              ?         3.050115       0.4862185 ?              ?         
1 1 1 -18 29 25 o 31.09146 1.188995  0.000000       0.000000  ?              ?         9.711727       0.7393517 ?              ?         
1 1 1 -18 29 26 o 60.48256 1.515054  0.000000       0.000000  ?              ?         36.86674       1.832687  ?              ?         
1 1 1 -18 29 27 o 31.53465 1.225929  0.000000       0.000000  ?              ?         9.997214       0.7731850 ?              ?         
1 1 1 -18 29 28 o 40.63238 1.266512  0.000000       0.000000  ?              ?         16.60393       1.029228  ?              ?         
1 1 1 -18 29 29 o 11.83794 1.968280  0.000000       0.000000  ?              ?         1.420126       0.4660074 ?              ?         
1 1 1 -18 29 30 f 23.74329 1.342884  0.000000       0.000000  ?              ?         5.673020       0.6376894 ?              ?         
1 1 1 -18 29 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 30 1  o 28.30276 0.6208435 8.005005       0.3507130 8.406218       0.5165353 7.661849       0.4777039 1.309698       1.241687  
1 1 1 -18 30 2  o 12.07400 0.6663283 1.415030       0.1582739 1.761072       0.2523013 1.190487       0.2032382 2.355648       1.332657  
1 1 1 -18 30 3  f 27.00674 0.6344225 7.286440       0.3418207 7.662822       0.5055447 6.969452       0.4639447 1.277859       1.268845  
1 1 1 -18 30 4  o 18.92958 0.6371754 3.485961       0.2376257 4.336334       0.3756052 2.918472       0.3068356 3.735369       1.274351  
1 1 1 -18 30 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 30 6  f 36.29819 0.7403716 12.95215       0.5308803 14.97330       0.8345411 11.57831       0.6880447 4.652306       1.480743  
1 1 1 -18 30 7  o 48.16245 0.8642344 23.30518       0.8323074 23.32430       1.189187  23.28681       1.165297  0.3431320E-01  1.728469  
1 1 1 -18 30 8  o 28.26081 0.6944375 7.839432       0.3877661 9.166007       0.6088169 6.933980       0.5029834 3.932558       1.388875  
1 1 1 -18 30 9  o 50.85273 0.9048145 25.95372       0.9188398 26.67954       1.343902  25.31659       1.259110  1.322979       1.809629  
1 1 1 -18 30 10 o 17.51979 0.7924074 3.155427       0.2709647 2.512955       0.3985927 3.707436       0.3694667 -3.413977      1.584815  
1 1 1 -18 30 11 o 31.95576 0.7499899 10.25400       0.4783167 10.14770       0.6975491 10.34834       0.6571417 -0.3206615     1.499980  
1 1 1 -18 30 12 o 28.26964 0.7433304 8.038453       0.4192379 7.629070       0.6038974 8.419294       0.5824671 -1.401175      1.486661  
1 1 1 -18 30 13 o 50.73014 0.9194407 25.54749       0.9245215 28.25146       1.428082  23.59658       1.213026  4.544228       1.838881  
1 1 1 -18 30 14 o 24.01892 0.7709697 5.733454       0.3666997 6.182286       0.5674326 5.411585       0.4805199 1.589594       1.541939  
1 1 1 -18 30 15 o 31.54895 0.7820901 9.859446       0.4892994 11.00304       0.7543329 9.028776       0.6428970 3.109606       1.564180  
1 1 1 -18 30 16 o 25.61292 0.7884125 6.574872       0.4017526 6.691059       0.6020456 6.481596       0.5394260 0.3979206      1.576825  
1 1 1 -18 30 17 o 33.70366 0.8130428 11.42323       0.5472407 10.83449       0.7798106 11.99449       0.7681516 -1.723011      1.626086  
1 1 1 -18 30 18 o 51.00150 0.9508768 26.16275       0.9693332 26.18345       1.395586  26.14347       1.347373  0.2873611E-01  1.901754  
1 1 1 -18 30 19 o 19.83661 0.9314953 4.043758       0.3612320 3.219745       0.5278451 4.769626       0.4954140 -3.913475      1.862991  
1 1 1 -18 30 20 o 41.03853 0.8769324 16.66841       0.7121053 18.69305       1.109836  15.25159       0.9284134 4.155296       1.753865  
1 1 1 -18 30 21 o 49.83778 0.9541159 24.98307       0.9498144 25.19667       1.381005  24.79134       1.308414  0.3898048      1.908232  
1 1 1 -18 30 22 o 46.56521 0.9314668 21.65377       0.8616727 23.17236       1.311977  20.50183       1.142670  2.828033       1.862934  
1 1 1 -18 30 23 o 34.31465 0.8840392 11.87053       0.6039388 11.49142       0.8895047 12.19476       0.8226092 -1.039711      1.768078  
1 1 1 -18 30 24 o 30.96052 0.8794534 9.680096       0.5411978 9.185124       0.7987894 10.10011       0.7358209 -1.491291      1.758907  
1 1 1 -18 30 25 o 25.11305 0.9517773 6.388195       0.4725711 6.034549       0.7131292 6.665085       0.6310124 -1.274349      1.903555  
1 1 1 -18 30 26 f 64.94193 1.148357  42.17474       1.484126  38.63260       1.982479  46.69087       2.238508  -6.131027      2.296713  
1 1 1 -18 30 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 31 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 31 2  o 54.31114 1.843572  0.000000       0.000000  ?              ?         29.85130       2.002530  ?              ?         
1 1 1 -18 31 3  o 23.81189 0.7763726 5.560733       0.3374603 6.019901       0.6320202 5.377627       0.3991143 1.304508       1.552745  
1 1 1 -18 31 4  f 30.27332 0.6771114 9.175302       0.4090002 9.451965       0.6029151 8.939448       0.5566755 0.8388023      1.354223  
1 1 1 -18 31 5  f 39.63996 0.7658454 15.68880       0.6054625 14.47941       0.8211228 17.12982       0.8963164 -3.329075      1.531691  
1 1 1 -18 31 6  o 42.06474 0.7959071 17.77232       0.6694532 17.71907       0.9557590 17.82359       0.9379905 -0.1276588     1.591814  
1 1 1 -18 31 7  o 41.42005 0.7961400 17.21777       0.6587626 17.48621       0.9579415 16.97693       0.9073756 0.6050377      1.592280  
1 1 1 -18 31 8  f 51.37271 0.9090244 26.47388       0.9318521 27.48709       1.374117  25.61119       1.267952  1.802429       1.818049  
1 1 1 -18 31 9  o 20.54274 0.7229939 4.171033       0.2940518 4.684568       0.4571161 3.808522       0.3840630 2.119434       1.445988  
1 1 1 -18 31 10 o 18.37754 0.7585184 3.306918       0.2742364 3.857890       0.4388190 2.953838       0.3512829 2.443468       1.517037  
1 1 1 -18 31 11 f 25.68310 0.7377472 6.643493       0.3775275 6.282205       0.5484821 6.968771       0.5204308 -1.341667      1.475494  
1 1 1 -18 31 12 o 11.96881 1.146387  1.597567       0.2425715 0.9371506      0.3666660 2.111562       0.3234752 -5.061790      2.292775  
1 1 1 -18 31 13 f 18.35833 0.8205922 3.421877       0.2964850 3.159465       0.4515318 3.620768       0.3931009 -1.268248      1.641184  
1 1 1 -18 31 14 o 14.03151 1.070733  1.836031       0.2656722 3.373272       0.4457728 0.9892367      0.3308502 8.573516       2.141467  
1 1 1 -18 31 15 o 17.02725 0.8903523 2.878469       0.3002482 3.176538       0.4655038 2.666128       0.3928995 1.482466       1.780705  
1 1 1 -18 31 16 o 53.05354 0.9631932 28.25562       1.019312  29.34002       1.507620  27.34252       1.383425  1.852486       1.926386  
1 1 1 -18 31 17 o 50.54130 0.9412779 25.62942       0.9490154 26.68428       1.403341  24.74047       1.288254  1.896111       1.882556  
1 1 1 -18 31 18 o 19.87313 0.8990988 4.041278       0.3509029 3.452747       0.5221909 4.525847       0.4738298 -2.710369      1.798198  
1 1 1 -18 31 19 f 62.82885 1.084581  39.73720       1.360824  40.80662       1.989368  38.79673       1.865581  1.566723       2.169162  
1 1 1 -18 31 20 f 60.59919 1.066137  37.00623       1.291916  36.04993       1.813833  37.99089       1.840549  -1.594448      2.132274  
1 1 1 -18 31 21 o 55.78889 1.029338  30.52902       1.124940  35.43981       1.827318  27.53203       1.427515  6.983109       2.058675  
1 1 1 -18 31 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -18 32 11 o 28.97328 1.010858  0.000000       0.000000  ?              ?         8.425508       0.5857573 ?              ?         
1 1 1 -18 32 12 o 48.16114 1.244274  0.000000       0.000000  ?              ?         23.32566       1.198514  ?              ?         
1 1 1 -18 32 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  3  o 57.82227 1.228835  33.64785       1.348240  33.91384       1.669709  33.14948       2.285505  -0.000000      0.000000  
1 1 1 -17 0  4  o 179.1543 2.670695  321.6142       9.558981  319.0776       13.40950  324.2349       13.63008  -0.000000      0.000000  
1 1 1 -17 0  5  o 279.9119 4.134415  786.0422       23.12273  784.0668       32.61481  788.0385       32.78682  -0.000000      0.000000  
1 1 1 -17 0  6  o 90.28156 1.419032  81.63885       2.559269  80.95660       3.594668  82.34016       3.644554  -0.000000      0.000000  
1 1 1 -17 0  7  o 153.5277 2.302922  236.1578       7.063917  237.1875       10.03971  235.1483       9.940799  -0.000000      0.000000  
1 1 1 -17 0  8  o 179.7004 2.677793  323.5419       9.612658  327.1175       13.75614  320.1296       13.43813  -0.000000      0.000000  
1 1 1 -17 0  9  o 92.44677 1.446888  85.60765       2.672231  85.28266       3.764617  85.93769       3.793763  -0.000000      0.000000  
1 1 1 -17 0  10 o 54.05175 0.9562457 29.27317       1.032288  29.14080       1.455697  29.40707       1.464092  -0.000000      0.000000  
1 1 1 -17 0  11 o 164.7055 2.463034  271.8280       8.105363  272.4529       11.48930  271.2087       11.43631  -0.000000      0.000000  
1 1 1 -17 0  12 o 39.82936 0.8251463 15.90358       0.6559978 15.61824       0.9220617 16.19605       0.9334859 -0.000000      0.000000  
1 1 1 -17 0  13 o 127.9504 1.938879  164.0060       4.956484  163.5818       6.990576  164.4348       7.028635  -0.000000      0.000000  
1 1 1 -17 0  14 o 340.5142 5.025012  1164.180       34.18555  1171.343       48.72620  1157.237       47.97393  -0.000000      0.000000  
1 1 1 -17 0  15 f 95.67146 1.492345  91.66230       2.851809  90.57841       3.984328  92.80088       4.083639  -0.000000      0.000000  
1 1 1 -17 0  16 o 448.5858 6.616200  2024.043       59.28718  2048.692       84.95337  2000.640       82.77839  -0.000000      0.000000  
1 1 1 -17 0  17 o 221.5103 3.285246  491.8515       14.53846  488.2704       20.38249  495.5605       20.74323  -0.000000      0.000000  
1 1 1 -17 0  18 o 176.0574 2.629483  310.6162       9.249286  311.8196       13.14441  309.4359       13.01744  -0.000000      0.000000  
1 1 1 -17 0  19 o 65.59940 1.108535  43.10284       1.452283  42.60369       2.030864  43.62522       2.077610  -0.000000      0.000000  
1 1 1 -17 0  20 f 89.18924 1.413691  79.64072       2.517840  78.17183       3.499600  81.21698       3.625250  -0.000000      0.000000  
1 1 1 -17 0  21 o 99.97635 1.565674  100.1207       3.126994  99.18848       4.392081  101.0789       4.453023  -0.000000      0.000000  
1 1 1 -17 0  22 o 57.33949 1.021130  32.94232       1.169321  33.29311       1.663038  32.59932       1.644459  -0.000000      0.000000  
1 1 1 -17 0  23 f 25.06234 0.8911576 6.319066       0.4439196 6.042002       0.6134694 6.623615       0.6431782 -0.000000      0.000000  
1 1 1 -17 0  24 f 55.80725 1.018571  31.20264       1.134970  31.64077       1.624876  30.78522       1.586010  -0.000000      0.000000  
1 1 1 -17 0  25 o 172.2172 2.580721  297.1877       8.877129  301.3062       12.74878  293.3114       12.36818  -0.000000      0.000000  
1 1 1 -17 0  26 o 181.3536 2.712479  329.6844       9.827487  326.8338       13.77635  332.6381       14.02327  -0.000000      0.000000  
1 1 1 -17 0  27 o 55.36488 1.014520  30.69806       1.121256  31.50332       1.613801  29.94655       1.559009  -0.000000      0.000000  
1 1 1 -17 0  28 o 108.6434 1.685631  118.1733       3.656326  115.7253       5.061473  120.8449       5.287586  -0.000000      0.000000  
1 1 1 -17 0  29 o 14.86209 1.271391  2.313397       0.3670102 2.121008       0.5241668 2.498425       0.5140430 -0.000000      0.000000  
1 1 1 -17 0  30 o 61.09608 1.092299  37.38587       1.332312  36.57571       1.853345  38.25227       1.916593  -0.000000      0.000000  
1 1 1 -17 0  31 o 122.6863 1.883366  150.8737       4.616353  151.2643       6.548931  150.4880       6.508276  -0.000000      0.000000  
1 1 1 -17 0  32 f 12.89855 1.708073  1.870373       0.3706192 2.580579       0.5386383 1.231823       0.5107430 -0.000000      0.000000  
1 1 1 -17 0  33 o 76.66734 1.269764  58.90532       1.944542  59.20045       2.764523  58.61630       2.735698  -0.000000      0.000000  
1 1 1 -17 0  34 f 45.17578 0.9357093 20.46605       0.8437554 20.61684       1.202712  20.31990       1.184008  -0.000000      0.000000  
1 1 1 -17 0  35 o 64.97250 1.134274  42.30986       1.471756  42.69302       2.101340  41.94091       2.061972  -0.000000      0.000000  
1 1 1 -17 0  36 o 59.81810 1.075384  35.74847       1.281892  37.69295       1.890936  34.09496       1.743735  -0.000000      0.000000  
1 1 1 -17 0  37 o 21.34343 1.034690  4.622364       0.4373514 4.494460       0.6170959 4.751445       0.6199304 -0.000000      0.000000  
1 1 1 -17 0  38 o 43.89004 0.9474763 19.31998       0.8296831 19.60931       1.192800  19.04878       1.154819  -0.000000      0.000000  
1 1 1 -17 0  39 o 66.86255 1.165490  44.82705       1.556388  44.89484       2.211869  44.76057       2.190418  -0.000000      0.000000  
1 1 1 -17 0  40 o 99.68768 1.582742  99.66803       3.151051  101.1404       4.525425  98.28233       4.390170  -0.000000      0.000000  
1 1 1 -17 0  41 f 26.26881 0.9549850 6.949954       0.4985541 7.256719       0.7212414 6.669250       0.6899248 -0.000000      0.000000  
1 1 1 -17 0  42 o 28.89129 1.014100  8.414571       0.5822208 8.954251       0.8309227 7.894041       0.8160479 -0.000000      0.000000  
1 1 1 -17 0  43 o 15.31807 1.964059  2.383630       0.6042132 2.383630       0.6042132 2.383630       0.6042132 -0.000000      0.000000  
1 1 1 -17 0  44 f 13.11783 4.423822  2.233495       1.034990  2.233495       1.034990  2.233495       1.034990  -0.000000      0.000000  
1 1 1 -17 0  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  49 o 78.30833 1.903242  61.60649       2.976886  61.60649       2.976886  61.60649       2.976886  -0.000000      0.000000  
1 1 1 -17 0  50 o 39.32488 1.049296  15.55563       0.8218866 15.64907       1.190766  15.47062       1.135826  -0.000000      0.000000  
1 1 1 -17 0  51 o 19.77620 1.310486  4.050765       0.5060865 3.650421       0.7304075 4.420441       0.7018738 -0.000000      0.000000  
1 1 1 -17 0  52 o 72.67741 1.288343  53.07996       1.869733  53.58868       2.673945  52.59324       2.615430  -0.000000      0.000000  
1 1 1 -17 0  53 o 31.61998 1.074245  10.09219       0.6759051 9.925009       0.9574929 10.25824       0.9542637 -0.000000      0.000000  
1 1 1 -17 0  54 o 8.183813 2.500075  0.9217941      0.4606846 1.404012       0.6794681 0.5115210      0.6267351 -0.000000      0.000000  
1 1 1 -17 0  55 o 20.46573 1.390919  4.311194       0.5588031 4.054677       0.7678468 4.600022       0.8147731 -0.000000      0.000000  
1 1 1 -17 0  56 f 50.17719 1.374155  25.31025       1.308610  25.08782       1.617149  25.73220       2.227340  -0.000000      0.000000  
1 1 1 -17 0  57 o 19.65440 2.397289  4.061642       0.9191476 4.061642       0.9191476 4.061642       0.9191476 -0.000000      0.000000  
1 1 1 -17 0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 1  1  o 158.0707 1.673092  248.9486       5.270320  238.1822       7.101725  262.1469       7.862995  -7.570251      3.346183  
1 1 1 -17 1  2  o 146.6700 1.555491  215.1610       4.561516  218.2761       6.547641  212.2234       6.358436  2.061005       3.110982  
1 1 1 -17 1  3  f 204.0276 2.137755  416.6585       8.722343  413.4688       12.23208  419.9582       12.44109  -1.586700      4.275509  
1 1 1 -17 1  4  o 249.6060 2.603988  623.8962       12.99759  629.6541       18.56816  618.3644       18.20011  2.253784       5.207975  
1 1 1 -17 1  5  o 93.27065 1.032098  85.48489       1.899551  78.27797       2.455981  96.21492       2.996746  -9.611046      2.064196  
1 1 1 -17 1  6  o 227.8564 2.579624  517.9014       11.56741  531.3715       18.15455  508.6956       15.00839  4.910889       5.159249  
1 1 1 -17 1  7  o 141.2923 2.124256  199.8029       6.001872  197.8903       8.399109  201.7985       8.579629  -1.379944      4.248512  
1 1 1 -17 1  8  o 227.2534 2.374948  517.0897       10.79406  515.2842       15.20480  518.9241       15.32613  -0.7985687     4.749896  
1 1 1 -17 1  9  o 191.5561 2.012495  367.0984       7.706760  372.9807       11.09556  361.6151       10.71254  2.960434       4.024989  
1 1 1 -17 1  10 o 75.54200 0.8675030 56.82692       1.306288  54.21424       1.762562  60.01085       1.945730  -3.835388      1.735006  
1 1 1 -17 1  11 o 230.7957 2.411754  533.3302       11.13164  536.8564       15.85699  529.9039       15.63049  1.501801       4.823509  
1 1 1 -17 1  12 o 64.85292 0.7684066 41.97781       0.9952893 43.66710       1.454995  40.49220       1.364466  2.447216       1.536813  
1 1 1 -17 1  13 o 185.9829 1.953487  345.9850       7.262619  340.0067       10.08039  352.4377       10.47263  -3.335876      3.906974  
1 1 1 -17 1  14 o 164.3973 1.735667  270.3998       5.705977  267.8418       7.989462  273.0629       8.151934  -1.585739      3.471335  
1 1 1 -17 1  15 o 149.8243 1.590429  223.6961       4.750009  214.1782       6.412689  235.2665       7.070427  -7.029526      3.180857  
1 1 1 -17 1  16 f 51.46493 0.6638184 26.34200       0.6809766 28.27862       1.015197  24.75781       0.9181867 3.420090       1.327637  
1 1 1 -17 1  17 o 203.1422 2.130542  411.7742       8.632415  430.1137       12.78565  396.4109       11.70231  8.276947       4.261085  
1 1 1 -17 1  18 o 157.7628 1.670274  248.8468       5.266514  254.3684       7.619535  243.7959       7.287505  3.346146       3.340549  
1 1 1 -17 1  19 o 129.7712 1.389872  167.9069       3.597093  175.8527       5.333377  161.2763       4.871990  5.610626       2.779744  
1 1 1 -17 1  20 o 143.1950 1.523953  205.1672       4.364419  205.6221       6.185912  204.7164       6.158621  0.3158569      3.047906  
1 1 1 -17 1  21 o 103.5786 1.136585  105.9378       2.330408  98.29831       3.044870  116.7409       3.620853  -8.896683      2.273171  
1 1 1 -17 1  22 o 158.7552 1.681256  252.0414       5.334949  247.2471       7.392465  257.2522       7.706867  -3.146027      3.362511  
1 1 1 -17 1  23 o 122.1582 1.316855  148.9109       3.210524  143.6652       4.373094  155.0438       4.728431  -4.652626      2.633709  
1 1 1 -17 1  24 o 157.9879 1.674598  249.1136       5.278948  259.5781       7.791543  240.2339       7.177342  6.111099       3.349197  
1 1 1 -17 1  25 f 100.9528 1.112243  101.9114       2.244911  103.5088       3.225939  100.4114       3.125989  1.532829       2.224487  
1 1 1 -17 1  26 f 107.2656 1.177320  115.1089       2.525643  115.4718       3.587956  114.7524       3.555856  0.3348770      2.354639  
1 1 1 -17 1  27 o 110.4436 1.204876  121.9895       2.660537  120.1403       3.705555  123.9571       3.822297  -1.726158      2.409752  
1 1 1 -17 1  28 o 107.5720 1.179468  114.8094       2.520628  123.9367       3.841034  107.9057       3.340550  7.442879       2.358937  
1 1 1 -17 1  29 f 82.23640 0.9436573 67.56129       1.550484  69.65144       2.255181  65.68770       2.135169  2.408188       1.887315  
1 1 1 -17 1  30 o 107.6215 1.181418  115.4807       2.535617  121.2156       3.761510  110.7044       3.432798  4.876923       2.362836  
1 1 1 -17 1  31 o 105.0728 1.157468  110.4245       2.431365  108.5353       3.380325  112.4496       3.499721  -1.859985      2.314935  
1 1 1 -17 1  32 o 92.78154 1.042352  85.74737       1.927465  90.70418       2.874724  81.69912       2.597936  4.846443       2.084704  
1 1 1 -17 1  33 o 114.2723 1.248052  130.3371       2.845653  125.4436       3.867993  136.1105       4.201366  -4.657158      2.496105  
1 1 1 -17 1  34 o 116.6038 1.271310  136.1186       2.964412  134.7934       4.152416  137.4960       4.233380  -1.155930      2.542619  
1 1 1 -17 1  35 o 55.48077 0.7316579 30.40524       0.8056106 27.77366       1.061809  33.97508       1.236695  -5.584644      1.463316  
1 1 1 -17 1  36 o 101.6420 1.128901  103.4384       2.294868  103.2445       3.240576  103.6336       3.250314  -0.1910248     2.257802  
1 1 1 -17 1  37 o 128.1403 1.388943  164.5414       3.559296  165.6010       5.072484  163.5137       4.995606  0.8102264      2.777886  
1 1 1 -17 1  38 o 31.66791 0.7964550 10.16894       0.4782600 9.611217       0.8067962 10.47110       0.5938480 -1.365093      1.592910  
1 1 1 -17 1  39 f 71.60000 1.217846  51.25835       1.741150  53.20391       2.551326  49.56233       2.382092  2.533295       2.435691  
1 1 1 -17 1  40 o 64.93660 1.143833  42.18669       1.484314  40.75657       2.049044  43.76574       2.153093  -2.310898      2.287665  
1 1 1 -17 1  41 o 31.65932 0.9282858 9.978313       0.5860175 11.04069       0.8657703 9.080015       0.7961125 3.092999       1.856572  
1 1 1 -17 1  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 1  43 o 111.5329 1.515504  124.7261       3.182834  124.2884       3.890379  125.6121       5.535037  -0.4252472     3.031009  
1 1 1 -17 1  44 o 18.24346 0.9202492 3.353487       0.3323516 3.490266       0.4449943 3.180944       0.4997968 0.8512821      1.840498  
1 1 1 -17 1  45 o 22.91779 0.7609676 5.260182       0.3486651 5.090113       0.4926841 5.430808       0.4934906 -0.7432499     1.521935  
1 1 1 -17 1  46 o 60.43644 0.7975433 36.29098       0.9593865 33.71663       1.282219  39.56527       1.446064  -4.827374      1.595087  
1 1 1 -17 1  47 o 26.77728 0.7323439 7.183785       0.3920426 7.353128       0.5513600 7.010614       0.5575559 0.6400051      1.464688  
1 1 1 -17 1  48 o 55.68990 0.7755592 30.91672       0.8614185 33.14785       1.277727  29.05765       1.166338  3.663231       1.551118  
1 1 1 -17 1  49 o 46.08660 0.9060525 21.58170       0.7965981 22.30058       0.9969785 20.31240       1.324761  2.189884       1.812105  
1 1 1 -17 1  50 o 47.03936 0.9851803 22.36429       0.9188364 23.80160       1.246912  20.65645       1.359199  3.356613       1.970361  
1 1 1 -17 1  51 o 29.54181 1.089121  8.713724       0.6402913 7.578419       0.8722991 10.04003       0.9428250 -4.156113      2.178243  
1 1 1 -17 1  52 o 33.75043 1.070392  11.37308       0.7201986 10.57685       0.9723285 12.34087       1.071977  -2.598618      2.140783  
1 1 1 -17 1  53 o 24.57365 1.206929  6.002038       0.5889931 5.140227       0.7888789 7.087569       0.8853709 -3.945265      2.413858  
1 1 1 -17 1  54 o 18.83616 1.396317  3.614170       0.5196263 3.010896       0.7419983 4.194782       0.7279287 -3.145649      2.792634  
1 1 1 -17 1  55 o 29.34814 0.9749750 8.322849       0.5337476 9.566816       0.9731455 7.787620       0.6383274 2.974228       1.949950  
1 1 1 -17 1  56 o 31.59645 0.9500261 10.30542       0.5778148 8.864285       0.9145395 11.26291       0.7454485 -3.823593      1.900052  
1 1 1 -17 1  57 o 25.78318 1.801822  6.706384       0.9291338 6.706384       0.9291338 ?              ?         ?              ?         
1 1 1 -17 1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 2  1  o 211.6926 2.215396  448.5809       9.378817  451.9614       13.37145  445.3073       13.15841  1.567947       4.430793  
1 1 1 -17 2  2  o 189.1991 1.985806  358.2785       7.514201  358.9918       10.65035  357.5716       10.60318  0.3745728      3.971612  
1 1 1 -17 2  3  o 118.4896 1.275106  140.4448       3.021639  141.0359       4.293740  139.8648       4.253037  0.4937515      2.550212  
1 1 1 -17 2  4  o 152.2672 1.611272  231.9904       4.906870  232.0704       6.946072  231.9106       6.932672  0.5230713E-01  3.222544  
1 1 1 -17 2  5  o 151.3333 1.603544  229.0434       4.851408  232.7677       6.981288  225.5653       6.746586  2.376602       3.207087  
1 1 1 -17 2  6  o 215.2588 2.252609  463.4185       9.689322  453.1077       13.37074  474.8212       14.06083  -5.031021      4.505218  
1 1 1 -17 2  7  o 160.2699 1.694295  256.3795       5.419416  266.6397       7.981461  247.6026       7.382017  5.930878       3.388590  
1 1 1 -17 2  8  o 142.4192 1.513178  202.5973       4.304125  196.8580       5.903144  209.1114       6.289072  -4.297165      3.026357  
1 1 1 -17 2  9  o 111.0589 1.704597  122.4595       3.762347  131.7132       5.719787  115.4021       4.995067  7.333443       3.409195  
1 1 1 -17 2  10 o 154.1828 1.631734  237.6942       5.028585  242.5498       7.266308  233.2315       6.966169  3.017883       3.263468  
1 1 1 -17 2  11 o 76.86198 0.8746187 58.42189       1.333407  64.15718       2.051593  54.22734       1.754512  6.457436       1.749237  
1 1 1 -17 2  12 o 84.32213 0.9443777 71.10751       1.592494  71.75889       2.270769  70.47710       2.233938  0.7597733      1.888755  
1 1 1 -17 2  13 o 151.3204 1.603481  229.0959       4.852528  227.7908       6.820350  230.4338       6.905463  -0.8722229     3.206962  
1 1 1 -17 2  14 o 193.9128 2.036771  376.3656       7.899099  376.8312       11.18508  375.9024       11.15700  0.2390594      4.073541  
1 1 1 -17 2  15 o 148.1218 1.573039  219.2445       4.655079  225.2097       6.772750  213.9032       6.408864  3.812180       3.146078  
1 1 1 -17 2  16 o 184.1666 1.936297  338.8378       7.120956  329.0418       9.750885  350.0327       10.42387  -5.688660      3.872595  
1 1 1 -17 2  17 o 79.17963 0.9012695 62.62509       1.425888  64.48116       2.071966  60.95523       1.965281  2.225754       1.802539  
1 1 1 -17 2  18 o 216.8436 2.270062  470.1897       9.834194  483.0352       14.31384  458.7055       13.53418  5.594986       4.540124  
1 1 1 -17 2  19 o 44.05726 0.6294734 19.41235       0.5546130 19.41341       0.7794345 19.41126       0.7893417 0.2502441E-02  1.258947  
1 1 1 -17 2  20 o 228.9128 2.394388  524.1199       10.95030  511.4302       15.07312  538.3022       15.93491  -5.850784      4.788777  
1 1 1 -17 2  21 f 147.4768 1.567597  217.5865       4.622837  220.0163       6.614059  215.2658       6.463885  1.608368       3.135194  
1 1 1 -17 2  22 o 174.8953 1.845872  305.9309       6.452473  299.9485       8.933754  312.4550       9.329453  -3.568329      3.691745  
1 1 1 -17 2  23 o 195.3782 2.053605  381.4520       8.011176  394.4144       11.74242  370.1650       10.95731  6.189224       4.107210  
1 1 1 -17 2  24 o 79.41217 0.9132461 62.58502       1.442279  67.60879       2.185029  58.70618       1.919963  5.602722       1.826492  
1 1 1 -17 2  25 o 82.72488 0.9422931 68.44994       1.558963  68.82585       2.216391  68.08185       2.193204  0.4494400      1.884586  
1 1 1 -17 2  26 o 17.05937 0.7711664 2.901206       0.2625774 3.170477       0.3829218 2.662215       0.3607502 1.489483       1.542333  
1 1 1 -17 2  27 f 145.5589 1.552328  211.2455       4.504705  202.4905       6.086199  221.8525       6.699037  -6.638596      3.104655  
1 1 1 -17 2  28 f 101.3931 1.119587  102.8543       2.270279  103.3474       3.227576  102.3714       3.194007  0.4807434      2.239173  
1 1 1 -17 2  29 o 80.08514 0.9244061 63.53050       1.470102  59.19623       1.943602  69.32568       2.247410  -6.319710      1.848812  
1 1 1 -17 2  30 o 92.78748 1.039932  86.07415       1.928701  87.95899       2.786270  84.34013       2.672477  1.948059       2.079863  
1 1 1 -17 2  31 o 159.4029 1.693657  254.4566       5.398674  251.9696       7.557075  257.0488       7.715135  -1.587875      3.387314  
1 1 1 -17 2  32 o 120.2169 1.305457  144.4819       3.135468  140.6429       4.316529  148.7701       4.562096  -3.372978      2.610914  
1 1 1 -17 2  33 f 110.2198 1.478494  121.9451       3.084478  120.8229       5.288332  122.5238       3.797287  -0.8260117     2.956988  
1 1 1 -17 2  34 o 104.3425 1.631814  109.0378       3.403646  106.8645       4.723683  111.3846       4.908606  -2.157188      3.263628  
1 1 1 -17 2  35 o 38.28553 0.8864954 14.66869       0.6787255 14.38676       0.9578426 14.95301       0.9618958 -0.7393875     1.772991  
1 1 1 -17 2  36 o 120.0407 1.848384  144.3251       4.431341  140.0365       6.075313  149.2007       6.477756  -3.791283      3.696768  
1 1 1 -17 2  37 o 100.4479 1.581515  101.1858       3.177127  100.6756       4.474893  101.7044       4.511603  -0.5097351     3.163030  
1 1 1 -17 2  38 o 52.35603 0.8647751 28.02317       0.8796133 30.41725       1.147411  24.61080       1.369866  5.553669       1.729550  
1 1 1 -17 2  39 o 74.93349 0.9590769 56.39244       1.431158  58.43464       1.957552  54.04752       2.097629  2.933723       1.918154  
1 1 1 -17 2  40 o 74.00861 0.8854890 54.81696       1.310385  53.97580       1.829765  55.70256       1.877486  -1.164398      1.770978  
1 1 1 -17 2  41 f 27.29330 0.9423724 7.460308       0.5140498 7.100914       0.7234199 7.826856       0.7305853 -1.329523      1.884745  
1 1 1 -17 2  42 o 53.98251 1.051609  29.14796       1.134131  28.22220       1.560068  30.18559       1.651653  -1.812778      2.103217  
1 1 1 -17 2  43 o 68.06379 0.8456541 46.37554       1.150913  47.14113       1.649004  45.64839       1.607081  1.094116       1.691308  
1 1 1 -17 2  44 o 28.46066 0.6879681 8.106153       0.3915471 7.922388       0.5498219 8.295238       0.5577252 -0.6546440     1.375936  
1 1 1 -17 2  45 o 9.101121 1.339756  0.8467979      0.2686263 1.627536       0.3880311 0.1282730      0.3722501 7.279128       2.679512  
1 1 1 -17 2  46 o 55.03955 0.7599620 30.28868       0.8358357 29.17550       1.153200  31.52067       1.213179  -2.126457      1.519924  
1 1 1 -17 2  47 o 35.08082 0.6963847 12.22782       0.4866848 13.55130       0.7271384 11.15376       0.6550456 3.412189       1.392769  
1 1 1 -17 2  48 o 13.57349 1.115039  1.848939       0.3026367 1.902509       0.4306748 1.796684       0.4253606 0.3891973      2.230079  
1 1 1 -17 2  49 o 98.70931 1.129032  97.77924       2.227919  99.60182       3.209220  96.08368       3.095370  1.767456       2.258065  
1 1 1 -17 2  50 o 22.11978 0.8496414 4.902225       0.3754547 4.586026       0.5242717 5.235125       0.5379384 -1.465799      1.699283  
1 1 1 -17 2  51 o 31.08709 0.7494729 9.684092       0.4658400 9.706806       0.6673473 9.662503       0.6505677 0.6957054E-01  1.498946  
1 1 1 -17 2  52 o 36.69192 0.7458017 13.30752       0.5433128 11.47165       0.7238248 15.67677       0.8222777 -5.720119      1.491603  
1 1 1 -17 2  53 o 42.22023 0.7416065 17.84416       0.6258080 17.04196       0.8687072 18.70959       0.9023008 -1.971272      1.483213  
1 1 1 -17 2  54 o 25.00959 0.8627290 6.228064       0.4237241 8.035821       0.6297051 4.732261       0.5728016 6.596865       1.725458  
1 1 1 -17 2  55 o 13.09259 1.522150  1.811518       0.3761280 2.028517       0.4947982 1.514485       0.5788981 2.193034       3.044299  
1 1 1 -17 2  56 f 24.35382 1.113569  6.124461       0.5082325 6.454887       0.6283565 5.499341       0.8642752 2.007328       2.227138  
1 1 1 -17 2  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 2  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 3  1  o 75.72169 1.234995  56.80406       1.856725  53.06169       2.453517  61.81961       2.840367  -5.779236      2.469991  
1 1 1 -17 3  2  o 140.5550 2.117944  197.7261       5.953022  196.0648       8.340997  199.4508       8.498911  -1.201843      4.235888  
1 1 1 -17 3  3  o 34.14207 0.6892158 10.22221       0.4076985 14.66370       0.8767502 8.996839       0.4605176 8.296656       1.378432  
1 1 1 -17 3  4  o 173.2096 1.822972  300.2215       6.314783  298.4612       8.875045  302.0264       8.986909  -1.027542      3.645944  
1 1 1 -17 3  5  f 205.7673 2.155766  422.9366       8.855657  409.6240       12.09553  438.3170       13.00101  -6.956512      4.311532  
1 1 1 -17 3  6  o 171.7040 1.808731  295.0375       6.211236  295.8610       8.812347  294.2246       8.755953  0.4756775      3.617461  
1 1 1 -17 3  7  o 181.3200 1.905872  328.7298       6.905882  321.7391       9.539845  336.4263       10.00988  -4.042862      3.811743  
1 1 1 -17 3  8  f 89.53807 0.9917493 79.84917       1.770196  84.23505       2.635042  76.24181       2.389762  4.461632       1.983499  
1 1 1 -17 3  9  o 133.7261 1.426525  178.9071       3.815234  178.4087       5.380994  179.4109       5.410235  -0.3743744     2.853050  
1 1 1 -17 3  10 o 51.96372 0.6661479 26.34852       0.6818633 23.41360       0.8762988 30.85256       1.085564  -7.156719      1.332296  
1 1 1 -17 3  11 o 186.0151 2.769243  346.6080       10.30229  347.5611       14.61398  345.6664       14.52570  0.5073395      5.538486  
1 1 1 -17 3  12 o 192.4568 2.020661  370.5444       7.774398  364.7206       10.80528  376.7951       11.19436  -3.130737      4.041322  
1 1 1 -17 3  13 o 219.0975 2.293728  480.5027       10.04944  475.6347       14.06382  485.5814       14.36509  -2.264542      4.587456  
1 1 1 -17 3  14 o 339.7656 3.535644  1157.459       24.02360  1165.985       34.25253  1149.205       33.70313  2.454315       7.071288  
1 1 1 -17 3  15 o 153.8993 1.631109  236.5334       5.012536  229.3961       6.860412  244.7070       7.341621  -4.968140      3.262218  
1 1 1 -17 3  16 o 239.4207 2.501753  573.8980       11.97694  580.5756       17.14840  567.5385       16.73508  2.714325       5.003506  
1 1 1 -17 3  17 o 263.6254 2.751238  695.8210       14.49849  684.3196       20.12317  708.2357       20.90722  -4.517975      5.502477  
1 1 1 -17 3  18 o 97.58181 1.076192  95.23551       2.100073  94.43320       2.942250  96.06876       2.998450  -0.8375244     2.152385  
1 1 1 -17 3  19 o 203.1989 2.131179  413.3622       8.660857  414.8995       12.29946  411.8500       12.19777  0.7484283      4.262358  
1 1 1 -17 3  20 o 253.9608 2.651969  646.1188       13.46956  648.6260       19.13288  643.6550       18.96589  0.9746399      5.303939  
1 1 1 -17 3  21 o 171.1120 1.806991  292.2441       6.169731  281.9136       8.391109  304.4017       9.102926  -6.558975      3.613982  
1 1 1 -17 3  22 o 145.1576 1.545833  210.7683       4.486402  207.7812       6.251904  213.9397       6.441817  -2.118423      3.091666  
1 1 1 -17 3  23 f 132.2894 1.417923  173.8121       3.728820  164.0870       4.956755  186.4904       5.659550  -8.457092      2.835846  
1 1 1 -17 3  24 o 133.0344 1.425214  177.0448       3.791174  179.2113       5.431885  174.9871       5.293840  1.585480       2.850428  
1 1 1 -17 3  25 o 29.77818 0.6793792 8.687846       0.3931320 9.613513       0.6500225 8.153977       0.4936491 2.449467       1.358758  
1 1 1 -17 3  26 o 145.2379 1.548182  211.0982       4.496797  212.4867       6.403850  209.7475       6.315923  0.9413452      3.096365  
1 1 1 -17 3  27 o 69.00975 0.8254150 47.63301       1.139198  47.26447       1.603422  48.00867       1.618826  -0.5390244     1.650830  
1 1 1 -17 3  28 f 247.8086 3.175598  618.0441       14.89234  612.7161       25.53872  620.7894       18.33174  -1.971313      6.351197  
1 1 1 -17 3  29 o 177.4373 2.295910  315.6669       7.687491  315.3943       13.28838  315.8041       9.424714  -0.2569122     4.591819  
1 1 1 -17 3  30 o 186.5772 2.786052  348.6723       10.37639  337.3742       14.15953  361.7774       15.24994  -6.485718      5.572105  
1 1 1 -17 3  31 o 146.1004 2.207680  213.9678       6.448357  217.4411       9.275490  210.7189       8.970846  2.286514       4.415360  
1 1 1 -17 3  32 o 110.0114 1.701215  121.0588       3.738418  117.5599       5.134777  125.0055       5.453444  -3.371475      3.402431  
1 1 1 -17 3  33 o 76.61522 1.150586  59.03777       1.745619  60.96470       2.333273  56.58814       2.630769  2.865089       2.301172  
1 1 1 -17 3  34 o 36.25151 0.7654075 12.81930       0.5248193 12.18630       0.6377692 14.14702       0.9236708 -2.697731      1.530815  
1 1 1 -17 3  35 o 170.4007 1.809327  291.2139       6.165381  288.5417       8.634511  293.9936       8.806360  -1.589355      3.618654  
1 1 1 -17 3  36 o 161.3466 1.719018  261.0669       5.546484  258.7539       7.771662  263.4680       7.918215  -1.451843      3.438036  
1 1 1 -17 3  37 o 89.12601 1.015310  79.52095       1.809603  80.27296       2.582924  78.79599       2.536049  0.8265610      2.030620  
1 1 1 -17 3  38 o 7.290485 1.524971  0.5397394      0.2393881 0.4571359      0.3415152 0.6195312      0.3356526 -0.8915353     3.049943  
1 1 1 -17 3  39 o 87.76598 1.005052  76.89897       1.760271  73.78535       2.394527  80.56005       2.596520  -3.849678      2.010104  
1 1 1 -17 3  40 o 98.45779 1.106850  97.01285       2.177798  94.68081       3.007618  99.58326       3.157594  -2.480858      2.213699  
1 1 1 -17 3  41 o 56.57533 0.7571287 31.90427       0.8546391 30.17615       1.160482  33.95232       1.263343  -3.332981      1.514257  
1 1 1 -17 3  42 f 30.17612 0.7578360 8.679578       0.4418994 10.82775       0.7527564 7.550006       0.5458536 5.421329       1.515672  
1 1 1 -17 3  43 o 97.50826 1.102970  95.30042       2.150838  94.66244       3.021450  95.95586       3.062454  -0.6600494     2.205939  
1 1 1 -17 3  44 o 64.02760 0.8164973 40.67794       1.039645  44.54333       1.576202  37.70123       1.383193  5.331753       1.632995  
1 1 1 -17 3  45 o 23.23533 0.7662933 5.396627       0.3557773 5.701236       0.5151810 5.118909       0.4919151 1.251644       1.532587  
1 1 1 -17 3  46 f 88.96347 1.031211  79.31384       1.834131  77.82875       2.552097  80.90025       2.637728  -1.718407      2.062422  
1 1 1 -17 3  47 o 18.95090 0.8887478 3.623042       0.3305064 2.772880       0.4596256 4.533314       0.4755966 -4.643314      1.777496  
1 1 1 -17 3  48 o 63.40697 0.8299003 40.04654       1.048506  43.05560       1.567800  37.61169       1.410298  4.278957       1.659801  
1 1 1 -17 3  49 o 48.02748 0.7385153 23.06569       0.7086606 24.04587       1.030966  22.18776       0.9757104 1.929718       1.477031  
1 1 1 -17 3  50 f 46.98202 0.7413321 22.11474       0.6965466 21.78793       0.9810252 22.44699       0.9891562 -0.7006416     1.482664  
1 1 1 -17 3  51 o 78.20476 0.9513110 61.25438       1.485998  59.19974       2.039034  63.58170       2.170124  -2.784767      1.902622  
1 1 1 -17 3  52 o 32.16176 0.7532557 10.36625       0.4843839 10.03204       0.6813841 10.70768       0.6887192 -1.049601      1.506511  
1 1 1 -17 3  53 f 35.90794 0.7503707 12.85050       0.5373485 14.10855       0.7947798 11.79125       0.7292881 3.219513       1.500741  
1 1 1 -17 3  54 o 14.59411 1.212008  2.160166       0.3507662 1.869189       0.5018899 2.438003       0.4904255 -1.951028      2.424016  
1 1 1 -17 3  55 o 39.74640 0.7626950 15.84130       0.6062331 16.00520       0.8644571 15.68270       0.8504019 0.4038124      1.525390  
1 1 1 -17 3  56 o 32.50445 0.9784616 10.67465       0.6043702 10.42841       1.023628  10.80643       0.7488203 -0.6290474     1.956923  
1 1 1 -17 3  57 f 19.78642 1.911059  4.291419       0.6803043 4.922388       0.8620241 3.249496       1.107728  4.567188       3.822117  
1 1 1 -17 3  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 4  1  f 37.99864 0.5645424 14.37576       0.4280163 13.49807       0.5814790 15.41366       0.6323257 -2.520378      1.129085  
1 1 1 -17 4  2  o 85.28354 0.9539688 72.20683       1.617981  77.68034       2.450486  67.97628       2.154353  5.687096       1.907938  
1 1 1 -17 4  3  o 63.12420 0.9364821 39.27433       1.088323  38.40403       1.298268  41.33167       1.996092  -2.313934      1.872964  
1 1 1 -17 4  4  o 126.4270 1.922276  158.9835       4.836459  169.5072       7.289270  150.7069       6.464360  7.422829       3.844553  
1 1 1 -17 4  5  o 208.8106 3.100318  436.9041       12.94633  433.6991       18.15889  440.2173       18.46265  -1.553375      6.200636  
1 1 1 -17 4  6  o 68.23482 1.145014  46.48758       1.560633  44.94255       2.142616  48.23360       2.277712  -2.410332      2.290027  
1 1 1 -17 4  7  f 169.8809 2.189965  289.9657       7.055829  285.5425       12.02944  292.2855       8.711809  -2.041245      4.379930  
1 1 1 -17 4  8  o 268.5440 2.799460  722.2984       15.03332  715.6633       21.04409  729.2134       21.48336  -2.513153      5.598920  
1 1 1 -17 4  9  o 98.53270 1.081381  96.98275       2.128653  99.72478       3.099334  94.53441       2.928651  2.632378       2.162761  
1 1 1 -17 4  10 f 251.5045 2.624700  633.4959       13.20218  631.2572       18.59626  635.7710       18.74604  -0.8942719     5.249401  
1 1 1 -17 4  11 o 77.08345 0.8777604 58.78479       1.342566  64.44611       2.061431  54.61464       1.769237  6.375153       1.755521  
1 1 1 -17 4  12 o 129.0410 1.959607  166.6551       5.057371  167.1396       7.165273  166.1742       7.139203  0.3736877      3.919214  
1 1 1 -17 4  13 o 160.6066 1.697771  257.8174       5.448326  264.4928       7.913764  251.8024       7.512110  3.945465       3.395543  
1 1 1 -17 4  14 o 149.2099 1.584762  222.6598       4.727509  219.2484       6.579462  226.3008       6.797272  -2.360535      3.169524  
1 1 1 -17 4  15 o 275.3132 2.870181  759.2850       15.80185  766.1984       22.56922  752.6372       22.13160  2.452698       5.740362  
1 1 1 -17 4  16 o 132.7816 1.419399  176.3471       3.768587  174.2728       5.264218  178.5276       5.397452  -1.600586      2.838797  
1 1 1 -17 4  17 o 116.3707 1.259567  135.2890       2.928245  139.1990       4.264155  131.7998       4.028236  3.176590       2.519134  
1 1 1 -17 4  18 o 71.97165 0.8394990 50.81480       1.192032  57.79265       1.883355  46.15125       1.539678  8.084908       1.678998  
1 1 1 -17 4  19 o 335.3767 3.492476  1128.293       23.42540  1124.386       33.00045  1132.260       33.25809  -1.165649      6.984952  
1 1 1 -17 4  20 o 182.1646 1.917956  331.8943       6.982867  339.0608       10.10211  325.3374       9.663049  3.758850       3.835913  
1 1 1 -17 4  21 o 194.9989 2.048766  380.6835       7.990054  379.6861       11.26769  381.6923       11.33187  -0.5131226     4.097532  
1 1 1 -17 4  22 f 89.83767 1.005368  80.47955       1.802090  77.29586       2.448475  84.24265       2.661972  -3.864090      2.010737  
1 1 1 -17 4  23 o 127.6806 1.372036  162.5897       3.494314  170.0332       5.173318  156.3445       4.738653  5.354134       2.744071  
1 1 1 -17 4  24 o 83.85869 1.164351  70.01496       1.835200  71.33864       3.213669  69.37440       2.235573  1.158562       2.328702  
1 1 1 -17 4  25 f 179.6203 2.452848  321.9255       8.580226  329.1880       13.88014  317.4340       10.91565  3.186478       4.905696  
1 1 1 -17 4  26 o 137.6952 2.080185  189.8332       5.727031  192.4463       8.216483  187.3641       7.986886  1.839355       4.160370  
1 1 1 -17 4  27 o 188.5995 2.812417  356.7244       10.60547  352.1700       14.79138  361.5430       15.21436  -2.467804      5.624833  
1 1 1 -17 4  28 o 147.5814 2.223207  218.2422       6.561086  216.1389       9.183575  220.4349       9.377004  -1.448685      4.446414  
1 1 1 -17 4  29 o 73.38185 1.047832  54.49016       1.477894  56.21046       1.865689  51.59233       2.421452  3.156212       2.095664  
1 1 1 -17 4  30 o 72.92530 0.9264983 53.20544       1.339044  53.20446       1.778000  53.20672       2.035377  0.2975464E-02  1.852997  
1 1 1 -17 4  31 o 98.26715 1.093734  96.40209       2.145679  92.96878       2.929764  100.3740       3.151220  -3.762627      2.187468  
1 1 1 -17 4  32 o 69.90652 0.8387361 48.63741       1.168509  46.02044       1.573869  51.85177       1.744283  -4.167374      1.677472  
1 1 1 -17 4  33 o 104.8144 1.157255  109.5474       2.418622  104.7951       3.270742  115.2815       3.592791  -4.992043      2.314509  
1 1 1 -17 4  34 o 75.85980 0.8921111 57.38935       1.350073  60.28106       1.997411  54.95705       1.831891  3.504417       1.784222  
1 1 1 -17 4  35 o 15.60130 0.8437818 2.437014       0.2630661 2.323611       0.3720791 2.550360       0.3719843 -0.7267036     1.687564  
1 1 1 -17 4  36 o 118.9380 1.296253  141.4438       3.078763  137.0689       4.215981  146.4427       4.506591  -3.926323      2.592506  
1 1 1 -17 4  37 o 92.06229 1.041359  84.83475       1.916836  83.53065       2.671862  86.21779       2.751523  -1.455772      2.082718  
1 1 1 -17 4  38 o 101.0394 1.127674  101.9701       2.273883  98.11388       3.095432  106.4901       3.351299  -4.131714      2.255347  
1 1 1 -17 4  39 o 59.21369 0.7672478 35.02398       0.9076348 33.66427       1.248353  36.54884       1.321989  -2.432911      1.534496  
1 1 1 -17 4  40 o 37.18374 0.8989681 13.84680       0.6680588 13.19116       0.9417151 14.51103       0.9478705 -1.774506      1.797936  
1 1 1 -17 4  41 o 45.37490 0.6912450 20.42544       0.6243103 22.50933       0.9405289 18.78402       0.8347263 4.100895       1.382490  
1 1 1 -17 4  42 o 9.474084 1.419433  0.9293111      0.2683608 1.313839       0.3853002 0.5670246      0.3739914 3.946788       2.838866  
1 1 1 -17 4  43 o 58.37020 0.7751212 33.89739       0.9015423 31.69185       1.212913  36.62015       1.347652  -4.214249      1.550242  
1 1 1 -17 4  44 o 37.39366 0.6855096 13.98836       0.5124626 14.27711       0.7377558 13.71914       0.7123735 0.7447739      1.371019  
1 1 1 -17 4  45 o 60.95354 0.7989724 36.97259       0.9702181 34.62614       1.303663  39.88570       1.452576  -4.304462      1.597945  
1 1 1 -17 4  46 f 27.76543 0.7119052 7.711401       0.3949613 7.257529       0.5498031 8.195385       0.5677483 -1.687716      1.423810  
1 1 1 -17 4  47 o 34.21078 0.7064641 11.61435       0.4811349 13.15614       0.7196881 10.36843       0.6469625 4.069012       1.412928  
1 1 1 -17 4  48 o 82.38187 0.9792425 67.99569       1.612160  69.76562       2.336800  66.38814       2.227035  2.038292       1.958485  
1 1 1 -17 4  49 o 34.89226 0.7246276 12.19623       0.5055882 12.18292       0.7216303 12.20907       0.7085681 -0.3858948E-01 1.449255  
1 1 1 -17 4  50 o 55.98841 0.7910401 31.41651       0.8857540 31.20284       1.246636  31.63435       1.258742  -0.3841248     1.582080  
1 1 1 -17 4  51 o 21.45552 0.8595547 4.616625       0.3688118 4.630970       0.5186280 4.601949       0.5245801 0.6832695E-01  1.719109  
1 1 1 -17 4  52 o 37.07346 0.7522854 13.76695       0.5573304 12.99424       0.7782607 14.58036       0.7984972 -2.136974      1.504571  
1 1 1 -17 4  53 o 37.03338 0.7528886 13.74708       0.5575967 13.76624       0.7937821 13.72841       0.7834415 0.4991150E-01  1.505777  
1 1 1 -17 4  54 o 48.60623 0.7747089 23.58805       0.7513093 25.26634       1.110235  22.17022       1.020457  3.173229       1.549418  
1 1 1 -17 4  55 o 24.05470 0.8879542 5.809004       0.4271877 5.833063       0.6048462 5.785057       0.6034254 0.9956169E-01  1.775908  
1 1 1 -17 4  56 f 41.55380 0.9551350 17.63035       0.7544391 16.40745       1.259976  18.31385       0.9419670 -2.348152      1.910270  
1 1 1 -17 4  57 o 71.37363 1.598768  51.63330       2.156666  51.55287       2.648620  51.79156       3.715186  0.1663437      3.197536  
1 1 1 -17 4  58 o 11.09019 4.319174  0.8855352      1.379507  0.8855352      1.379507  ?              ?         ?              ?         
1 1 1 -17 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 5  1  o 144.4687 1.533046  208.5523       4.424682  203.3627       6.088937  214.3589       6.440767  -3.801346      3.066093  
1 1 1 -17 5  2  f 49.45924 0.6367869 24.40935       0.6290936 25.56084       0.9185287 23.39200       0.8633758 2.192276       1.273574  
1 1 1 -17 5  3  o 128.7831 1.376472  164.9017       3.527449  175.6898       5.318834  156.4311       4.713052  7.470627       2.752944  
1 1 1 -17 5  4  o 143.6359 1.526581  206.4185       4.385432  206.5736       6.207296  206.2638       6.196592  0.1077271      3.053162  
1 1 1 -17 5  5  o 190.2525 1.997715  361.2757       7.583559  376.2572       11.19331  348.5641       10.31054  7.264252       3.995430  
1 1 1 -17 5  6  o 75.88957 1.062174  58.57200       1.551022  61.45775       1.971079  53.87971       2.513430  4.997215       2.124348  
1 1 1 -17 5  7  f 256.8255 3.292542  659.5033       15.87052  656.3746       19.32887  665.9767       27.80324  -1.655701      6.585083  
1 1 1 -17 5  8  o 195.6332 2.910648  382.2062       11.35751  399.4286       16.81991  367.7726       15.39801  8.058456       5.821296  
1 1 1 -17 5  9  o 313.0043 4.623411  984.0525       28.93572  972.9230       40.38831  995.7895       41.47595  -3.613647      9.246821  
1 1 1 -17 5  10 o 205.8932 3.058181  423.6932       12.56512  409.3278       17.10100  440.5482       18.52367  -7.547806      6.116363  
1 1 1 -17 5  11 o 171.0624 2.216186  292.0865       7.109169  295.3993       12.48113  290.4955       8.649394  1.367798       4.432373  
1 1 1 -17 5  12 o 69.96672 0.8167966 48.60388       1.137013  45.67226       1.516860  52.36355       1.717777  -4.780472      1.633593  
1 1 1 -17 5  13 o 179.7927 2.683287  323.7408       9.647618  326.5836       13.76856  320.9989       13.52236  1.547745       5.366574  
1 1 1 -17 5  14 o 381.1595 3.967360  1458.150       30.24340  1453.312       42.61919  1463.058       42.92370  -1.268372      7.934719  
1 1 1 -17 5  15 o 33.24326 0.5819553 10.74056       0.3814186 13.37687       0.5996287 8.948977       0.4943127 6.659315       1.163911  
1 1 1 -17 5  16 o 112.5105 1.220464  126.2380       2.739424  131.9824       4.050275  121.3945       3.719134  4.701714       2.440929  
1 1 1 -17 5  17 o 275.4155 2.872590  759.7224       15.81577  772.7631       22.78538  747.5975       21.97062  4.547638       5.745179  
1 1 1 -17 5  18 o 34.52621 0.5827700 11.92170       0.4024148 11.94479       0.5685613 11.89852       0.5696413 0.6700516E-01  1.165540  
1 1 1 -17 5  19 o 156.7621 1.662572  245.0180       5.196345  256.9256       7.722173  235.1642       7.024724  6.930008       3.325145  
1 1 1 -17 5  20 o 120.7202 1.594278  145.3285       3.614169  147.3083       6.331723  144.3717       4.401690  1.186607       3.188555  
1 1 1 -17 5  21 o 126.8111 1.756498  160.9201       4.367898  161.1302       6.893639  160.7792       5.645829  0.1159821      3.512995  
1 1 1 -17 5  22 f 189.3183 2.815284  359.1490       10.65653  364.1735       15.29540  354.4095       14.85544  2.565460       5.630568  
1 1 1 -17 5  23 o 180.9478 2.696344  328.0855       9.755728  331.9044       13.97552  324.4560       13.62454  2.047653       5.392688  
1 1 1 -17 5  24 o 48.15673 0.9186674 22.62715       0.8721684 26.69719       1.383512  19.94299       1.123539  7.009941       1.837335  
1 1 1 -17 5  25 o 72.03488 1.024815  52.40514       1.418761  53.77525       1.788054  50.07637       2.331138  2.574265       2.049631  
1 1 1 -17 5  26 o 96.14502 1.070925  92.03642       2.051547  87.67956       2.760832  97.40864       3.065710  -5.055077      2.141850  
1 1 1 -17 5  27 o 114.5812 1.246762  131.2551       2.854952  134.3687       4.135284  128.4195       3.946361  2.592445       2.493525  
1 1 1 -17 5  28 o 139.8742 1.497580  194.5237       4.166092  184.1098       5.551170  207.9530       6.303829  -8.504761      2.995159  
1 1 1 -17 5  29 o 92.17784 1.035076  84.99844       1.908000  84.06503       2.673531  85.96728       2.723810  -1.030899      2.070152  
1 1 1 -17 5  30 o 117.6477 1.279394  137.6602       2.995180  130.3082       4.001199  147.0310       4.517241  -7.093391      2.558788  
1 1 1 -17 5  31 o 127.7956 1.379428  163.5191       3.525691  163.6162       4.991175  163.4223       4.981000  0.7554626E-01  2.758855  
1 1 1 -17 5  32 o 23.28936 0.6641718 5.385178       0.3082041 5.969220       0.4596449 4.908084       0.4154335 2.277403       1.328344  
1 1 1 -17 5  33 o 92.96069 1.044709  86.13313       1.935957  90.80775       2.882157  82.29005       2.613265  4.572968       2.089419  
1 1 1 -17 5  34 o 46.31870 0.6745436 21.45846       0.6247122 21.66336       0.8955748 21.26427       0.8718556 0.4302788      1.349087  
1 1 1 -17 5  35 o 66.17879 0.8123770 43.52651       1.070564  40.77518       1.434553  46.98472       1.608314  -4.686546      1.624754  
1 1 1 -17 5  36 f 73.17316 0.8689722 53.57369       1.271476  52.75510       1.777431  54.43157       1.819587  -1.144051      1.737944  
1 1 1 -17 5  37 o 23.42265 0.6862593 5.499437       0.3208904 5.245201       0.4605436 5.739324       0.4473586 -1.055204      1.372519  
1 1 1 -17 5  38 o 142.9056 1.536865  204.8544       4.392310  203.6030       6.174353  206.1366       6.249660  -0.8809357     3.073730  
1 1 1 -17 5  39 o 68.63773 0.8407513 47.12945       1.153524  48.04503       1.664408  46.28321       1.600147  1.280632       1.681503  
1 1 1 -17 5  40 o 61.63763 0.7907095 37.75512       0.9699700 40.73213       1.462628  35.41800       1.295939  4.303604       1.581419  
1 1 1 -17 5  41 o 80.63487 0.9471083 64.96515       1.524952  62.57037       2.085925  67.71447       2.235000  -3.181435      1.894217  
1 1 1 -17 5  42 o 58.21106 0.7722408 33.87737       0.8984082 32.64914       1.242324  35.22388       1.300772  -2.208481      1.544482  
1 1 1 -17 5  43 o 30.73725 0.6886622 9.416696       0.4222813 10.39280       0.6185595 8.564687       0.5779033 2.971813       1.377324  
1 1 1 -17 5  44 f 39.89203 0.6904172 15.74486       0.5475863 17.86087       0.8295349 14.11075       0.7289810 4.694870       1.380834  
1 1 1 -17 5  45 o 39.80978 0.6893085 15.85335       0.5485283 16.25294       0.7917869 15.48458       0.7606234 0.9631996      1.378617  
1 1 1 -17 5  46 o 55.64790 0.7662816 31.00792       0.8526672 31.41531       1.220792  30.61987       1.191450  0.7125397      1.532563  
1 1 1 -17 5  47 o 30.12973 0.7186068 9.086439       0.4327581 8.643476       0.6046661 9.551603       0.6196331 -1.505903      1.437214  
1 1 1 -17 5  48 o 105.7235 1.190885  112.1727       2.516333  114.8111       3.641525  109.7616       3.481156  2.366898       2.381770  
1 1 1 -17 5  49 o 44.39613 0.7387354 19.61531       0.6537265 21.54175       0.9730030 18.03017       0.8826104 3.946754       1.477471  
1 1 1 -17 5  50 o 57.44341 0.7978594 33.06933       0.9165465 33.55035       1.307143  32.60410       1.285512  0.8213692      1.595719  
1 1 1 -17 5  51 o 38.90865 0.7348533 14.99296       0.5684875 17.15028       0.8590254 13.31193       0.7582902 4.922409       1.469707  
1 1 1 -17 5  52 o 47.00058 0.7540279 22.14264       0.7087622 22.10048       1.006655  22.18408       0.9980822 -0.8988571E-01 1.508056  
1 1 1 -17 5  53 o 34.05513 0.7541941 11.53884       0.5117536 12.79808       0.7631955 10.51011       0.6898133 3.350788       1.508388  
1 1 1 -17 5  54 o 7.037609 1.785420  0.4261112      0.3203535 0.4381648      0.4512416 0.4138626      0.4548769 0.8749008E-01  3.570839  
1 1 1 -17 5  55 o 29.00693 0.9042365 8.246814       0.5149414 9.490413       0.8295892 7.467343       0.6567848 3.459589       1.808473  
1 1 1 -17 5  56 o 21.18252 1.231539  4.534187       0.5012162 4.481546       0.8309631 4.564292       0.6283986 -0.2413254     2.463078  
1 1 1 -17 5  57 o 39.78819 1.326224  15.79287       1.013501  15.30918       1.258983  16.68350       1.708375  -1.608822      2.652447  
1 1 1 -17 5  58 o 40.22986 1.635994  16.32068       1.316316  16.32068       1.316316  ?              ?         ?              ?         
1 1 1 -17 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 6  1  o 152.2679 1.614199  231.7843       4.911944  237.2530       7.117891  226.8122       6.786993  3.423813       3.228397  
1 1 1 -17 6  2  o 114.3362 1.233450  129.7533       2.802560  122.3205       3.719674  139.5130       4.262357  -7.512741      2.466900  
1 1 1 -17 6  3  f 114.4201 1.234264  130.9143       2.823580  129.0291       3.933477  132.9184       4.055614  -1.698349      2.468528  
1 1 1 -17 6  4  o 131.7449 1.405963  173.6054       3.703872  175.6634       5.300375  171.6414       5.177906  1.525009       2.811926  
1 1 1 -17 6  5  o 182.5755 1.920869  333.5815       7.013477  330.8206       9.841263  336.4308       9.997696  -1.533997      3.841737  
1 1 1 -17 6  6  o 89.54623 0.9972796 80.20348       1.786051  80.29675       2.525615  80.11014       2.526101  0.1042099      1.994559  
1 1 1 -17 6  7  o 279.6041 2.915698  782.9171       16.29795  771.0800       22.65958  795.6039       23.45876  -4.366760      5.831396  
1 1 1 -17 6  8  o 216.5919 2.267518  467.8297       9.789297  448.7349       13.21094  491.0813       14.57812  -9.750671      4.535035  
1 1 1 -17 6  9  o 177.8212 1.871967  315.9734       6.648853  307.5517       9.128563  325.4894       9.703552  -5.035065      3.743934  
1 1 1 -17 6  10 o 249.7788 3.203866  624.0690       15.02830  621.5968       18.31699  629.1606       26.28668  -1.308929      6.407732  
1 1 1 -17 6  11 o 45.45633 0.9211082 20.65677       0.8371950 21.15614       1.200087  20.18335       1.168490  1.069778       1.842216  
1 1 1 -17 6  12 o 210.9297 3.132383  445.9509       13.21419  446.8085       18.72233  445.0996       18.65323  0.4032593      6.264766  
1 1 1 -17 6  13 o 174.3366 2.607037  304.4354       9.090034  304.2823       12.84777  304.5888       12.86274  -0.8758545E-01 5.214074  
1 1 1 -17 6  14 o 77.27985 1.282514  59.62262       1.980013  62.41541       2.884847  57.13528       2.722521  3.414421       2.565028  
1 1 1 -17 6  15 o 193.0882 2.491177  372.7490       9.038131  375.3634       15.78903  371.4748       11.02274  0.9022217      4.982354  
1 1 1 -17 6  16 o 44.91783 0.6368099 20.03675       0.5696251 21.69934       0.8554579 18.71237       0.7635046 3.324402       1.273620  
1 1 1 -17 6  17 o 141.3419 1.848571  198.8348       4.890614  203.1224       8.638060  196.8120       5.933135  2.186615       3.697142  
1 1 1 -17 6  18 o 124.7206 1.887692  154.8578       4.687576  164.2729       7.040421  147.3604       6.282586  6.766541       3.775383  
1 1 1 -17 6  19 o 120.1054 1.823090  144.3593       4.378564  142.8899       6.126977  145.8930       6.259604  -1.247803      3.646180  
1 1 1 -17 6  20 o 114.8790 1.755709  130.9675       4.006944  122.9952       5.309855  141.5119       6.106680  -8.044724      3.511417  
1 1 1 -17 6  21 o 103.8094 1.392696  107.0906       2.707538  105.7574       3.284435  109.9179       4.783009  -1.981750      2.785393  
1 1 1 -17 6  22 o 90.88594 1.018863  82.61558       1.851789  83.50327       2.643600  81.76039       2.594733  0.9582748      2.037726  
1 1 1 -17 6  23 o 221.4949 2.321757  491.4680       10.28513  491.8553       14.56233  491.0825       14.52847  0.1735077      4.643515  
1 1 1 -17 6  24 o 138.7383 1.485990  192.6028       4.122809  190.7949       5.778213  194.4776       5.884301  -1.325256      2.971980  
1 1 1 -17 6  25 o 167.5911 1.773498  281.1844       5.944050  283.1141       8.465472  279.3079       8.348070  1.132751       3.546996  
1 1 1 -17 6  26 o 59.10371 0.7471977 34.81018       0.8812410 33.06675       1.197910  36.86656       1.300988  -3.213360      1.494395  
1 1 1 -17 6  27 o 66.30065 0.8058521 43.42950       1.059840  39.96905       1.394403  48.16339       1.630914  -6.176617      1.611704  
1 1 1 -17 6  28 o 133.9704 1.438810  179.6616       3.855151  179.4632       5.445666  179.8609       5.458368  -0.1481476     2.877620  
1 1 1 -17 6  29 o 66.38264 0.8085443 43.37294       1.062213  39.44550       1.385245  48.97791       1.654846  -7.175545      1.617089  
1 1 1 -17 6  30 o 146.3394 1.564479  214.2779       4.575369  209.5382       6.322952  219.4874       6.628992  -3.388657      3.128958  
1 1 1 -17 6  31 o 59.76162 0.7572300 35.72710       0.9049346 35.82241       1.291604  35.63520       1.268257  0.1562004      1.514460  
1 1 1 -17 6  32 o 62.16038 0.7765719 38.47503       0.9627784 36.26041       1.303691  41.13184       1.427923  -3.915718      1.553144  
1 1 1 -17 6  33 o 69.71808 0.8381954 48.37202       1.164115  51.52254       1.742966  45.83485       1.564131  4.074257       1.676391  
1 1 1 -17 6  34 o 66.40845 0.8123517 43.96549       1.075971  46.25148       1.594914  42.05606       1.457642  3.155006       1.624703  
1 1 1 -17 6  35 o 86.38445 0.9878399 74.63062       1.705387  76.42052       2.470313  73.00086       2.357222  1.975082       1.975680  
1 1 1 -17 6  36 o 66.55511 0.8189607 43.82196       1.081295  48.27458       1.662716  40.55889       1.423390  5.787861       1.637921  
1 1 1 -17 6  37 o 48.88559 0.6970151 23.88859       0.6808472 24.45358       0.9885304 23.37870       0.9390973 1.097794       1.394030  
1 1 1 -17 6  38 o 47.70516 0.6913490 22.74424       0.6592007 21.85351       0.9136117 23.71154       0.9520788 -1.946098      1.382698  
1 1 1 -17 6  39 o 77.61722 1.280219  60.39339       1.987329  60.11923       2.809493  60.66795       2.811522  -0.3533401     2.560439  
1 1 1 -17 6  40 o 59.68343 0.7733672 35.37587       0.9188421 32.86343       1.228992  38.56012       1.383579  -4.765736      1.546734  
1 1 1 -17 6  41 o 66.48735 0.8266229 44.16872       1.097611  45.88803       1.605610  42.66035       1.503890  2.421989       1.653246  
1 1 1 -17 6  42 o 72.67775 0.8823012 52.90150       1.282458  52.53587       1.810214  53.26993       1.817144  -0.5045853     1.764602  
1 1 1 -17 6  43 o 39.85492 0.6838174 15.61734       0.5401059 18.23331       0.8336870 13.72526       0.7090182 5.649399       1.367635  
1 1 1 -17 6  44 o 22.51089 0.7822644 5.075522       0.3521031 5.025856       0.5020376 5.123601       0.4939587 -0.2176285     1.564529  
1 1 1 -17 6  45 o 40.40638 0.7015837 16.15285       0.5633473 18.16342       0.8575338 14.62637       0.7472008 4.369934       1.403167  
1 1 1 -17 6  46 o 22.94734 0.7732540 5.273061       0.3547744 5.341851       0.5092474 5.208190       0.4945296 0.2900848      1.546508  
1 1 1 -17 6  47 o 40.25688 0.7131056 16.18918       0.5733828 15.18587       0.7892469 17.31059       0.8344079 -2.635551      1.426211  
1 1 1 -17 6  48 o 38.82432 0.7141305 15.08953       0.5543512 15.49863       0.7953869 14.70310       0.7730330 1.022697       1.428261  
1 1 1 -17 6  49 o 45.78923 0.7376239 20.99334       0.6752533 21.49875       0.9713009 20.52059       0.9394026 1.065170       1.475248  
1 1 1 -17 6  50 o 36.37271 0.7282357 13.16566       0.5279207 14.47563       0.7863653 12.09082       0.7123024 3.271049       1.456471  
1 1 1 -17 6  51 o 17.03829 0.9916671 2.913989       0.3378042 3.022331       0.4805690 2.808171       0.4749353 0.6276913      1.983334  
1 1 1 -17 6  52 o 6.316549 1.719050  0.2680209      0.3064980 0.2954049      0.4284603 0.2393221      0.4386257 0.1724377      3.438100  
1 1 1 -17 6  53 o 9.849728 1.686043  1.021735       0.3290516 1.040475       0.4651793 1.002968       0.4655193 0.1814976      3.372087  
1 1 1 -17 6  54 o 31.85239 0.7862495 10.15819       0.5003044 10.85595       0.7237828 9.519735       0.6923388 2.093174       1.572499  
1 1 1 -17 6  55 o 18.84294 1.317022  3.647171       0.4752764 3.339375       0.7766787 3.831425       0.6009246 -1.346045      2.634044  
1 1 1 -17 6  56 o 10.36964 1.928428  0.9899359      0.4912710 2.092305       0.7064972 -0.4211605E-01 0.6835931 7.503081       3.856857  
1 1 1 -17 6  57 o 22.97949 1.317110  5.341361       0.6037483 4.894565       0.8530322 5.789830       0.8546280 -1.947542      2.634220  
1 1 1 -17 6  58 o 56.94608 1.705124  32.72582       1.942003  32.72582       1.942003  ?              ?         ?              ?         
1 1 1 -17 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 7  1  o 136.4757 1.455374  185.9896       3.965935  180.3364       5.425376  192.4771       5.811913  -4.442810      2.910748  
1 1 1 -17 7  2  o 37.38680 0.5565643 13.94803       0.4156627 13.34871       0.5710338 14.62347       0.6062140 -1.704655      1.113129  
1 1 1 -17 7  3  o 115.6178 1.246699  132.5399       2.861955  124.5100       3.783996  143.2732       4.374817  -8.107819      2.493399  
1 1 1 -17 7  4  f 135.1557 1.441236  182.7623       3.895779  182.2389       5.493424  183.2920       5.525645  -0.3891602     2.882472  
1 1 1 -17 7  5  o 178.0347 1.873682  316.3008       6.655017  329.9497       9.835897  304.7768       9.037893  7.056610       3.747363  
1 1 1 -17 7  6  f 223.3901 2.337548  499.2948       10.43661  489.3344       14.44386  510.1764       15.09697  -4.651688      4.675096  
1 1 1 -17 7  7  f 115.7307 1.248703  133.7110       2.885481  138.5759       4.229652  129.4758       3.946428  3.928535       2.497405  
1 1 1 -17 7  8  f 71.60432 0.8293068 51.27493       1.187534  50.89067       1.666165  51.67168       1.693010  -0.5451736     1.658614  
1 1 1 -17 7  9  o 144.7691 1.537838  209.5830       4.450562  213.4511       6.412635  205.9883       6.181798  2.574387       3.075676  
1 1 1 -17 7  10 o 207.3343 2.172770  430.3366       9.009057  433.4932       12.83945  427.2754       12.64425  1.495728       4.345539  
1 1 1 -17 7  11 o 110.6054 1.200729  122.1544       2.652321  118.4262       3.635245  126.3982       3.878454  -3.601242      2.401458  
1 1 1 -17 7  12 f 43.64306 0.6264318 18.74991       0.5417669 16.91687       0.7098250 21.30776       0.8384994 -5.029736      1.252864  
1 1 1 -17 7  13 o 114.8464 1.514506  132.6165       3.313995  129.8450       5.587424  134.1205       4.116169  -1.881287      3.029012  
1 1 1 -17 7  14 o 88.61043 2.782925  78.59673       4.931924  78.59673       4.931924  ?              ?         ?              ?         
1 1 1 -17 7  15 o 211.6577 4.432302  449.1456       18.76261  449.1456       18.76261  ?              ?         ?              ?         
1 1 1 -17 7  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 7  17 f 174.7980 3.708968  306.1263       12.96640  306.1263       12.96640  ?              ?         ?              ?         
1 1 1 -17 7  18 o 43.91570 1.337526  19.29085       1.174768  19.29085       1.174768  ?              ?         ?              ?         
1 1 1 -17 7  19 o 126.9268 1.773424  160.3430       4.372768  165.0448       7.131996  157.5109       5.535222  2.938087       3.546848  
1 1 1 -17 7  20 o 223.2179 2.863633  500.6948       12.09574  495.8748       20.74500  503.1774       14.88846  -1.815781      5.727266  
1 1 1 -17 7  21 o 57.59509 0.7278330 32.92721       0.8342351 35.65191       1.258612  30.79217       1.114130  4.217693       1.455666  
1 1 1 -17 7  22 o 150.9498 1.606031  227.9173       4.846228  223.9460       6.728291  232.1990       6.986184  -2.728821      3.212062  
1 1 1 -17 7  23 o 112.9904 1.229964  127.3376       2.772503  133.1323       4.099416  122.4528       3.763862  4.720650       2.459928  
1 1 1 -17 7  24 o 116.2697 1.262584  135.2678       2.935966  134.8674       4.139015  135.6733       4.165275  -0.3461304     2.525169  
1 1 1 -17 7  25 f 63.11098 0.8573307 38.27813       1.031796  44.96684       1.804386  35.02840       1.257714  7.866688       1.714661  
1 1 1 -17 7  26 o 68.70119 0.8231725 47.20390       1.130924  46.63752       1.584462  47.79210       1.614702  -0.8398895     1.646345  
1 1 1 -17 7  27 f 53.97497 0.7103478 29.10136       0.7662614 28.12216       1.059301  30.17610       1.109775  -1.902065      1.420696  
1 1 1 -17 7  28 o 92.93565 1.042708  86.33855       1.936663  88.50593       2.804786  84.36362       2.677364  2.225983       2.085415  
1 1 1 -17 7  29 o 113.9761 1.243490  129.9505       2.833227  127.5559       3.934416  132.5298       4.083306  -2.177895      2.486980  
1 1 1 -17 7  30 o 64.56315 0.7942190 41.67516       1.025201  40.63643       1.427657  42.78111       1.473118  -1.660046      1.588438  
1 1 1 -17 7  31 o 98.21044 1.094311  96.18186       2.143577  91.95119       2.904190  101.2450       3.177114  -4.723434      2.188622  
1 1 1 -17 7  32 f 115.6750 1.263003  133.9886       2.921839  133.2880       4.109743  134.7048       4.154833  -0.6106415     2.526006  
1 1 1 -17 7  33 o 119.8395 1.303613  143.2864       3.114573  150.6002       4.631642  137.2491       4.208101  5.551888       2.607226  
1 1 1 -17 7  34 o 52.62461 0.7102097 27.64497       0.7463276 28.79781       1.093240  26.63875       1.021356  2.049538       1.420419  
1 1 1 -17 7  35 o 50.07718 0.6980168 25.08542       0.6988709 25.33480       1.003082  24.85016       0.9742540 0.4830475      1.396034  
1 1 1 -17 7  36 o 73.35580 0.8766807 53.86292       1.286145  53.94769       1.827356  53.77972       1.810529  0.1138229      1.753361  
1 1 1 -17 7  37 o 64.09528 0.8027501 40.79337       1.023368  44.13618       1.549435  38.20679       1.362954  4.618259       1.605500  
1 1 1 -17 7  38 f 88.65694 1.424723  78.80076       2.525544  77.40075       3.521713  80.28310       3.623791  -1.617996      2.849446  
1 1 1 -17 7  39 o 41.01006 0.6748812 16.49589       0.5475664 19.24926       0.8539526 14.57337       0.7135698 5.695724       1.349762  
1 1 1 -17 7  40 o 87.09457 1.002882  75.98173       1.746882  76.07189       2.478173  75.89268       2.462828  0.1019745      2.005763  
1 1 1 -17 7  41 f 33.01233 0.6689034 10.87529       0.4406856 9.925987       0.6067210 11.93538       0.6411504 -3.041822      1.337807  
1 1 1 -17 7  42 f 95.42810 1.416926  90.53806       2.615800  94.88573       4.328356  88.03656       3.283186  3.485397       2.833852  
1 1 1 -17 7  43 o 43.37370 0.6956998 18.82273       0.6032963 18.16395       0.8431203 19.51396       0.8636289 -1.555145      1.391400  
1 1 1 -17 7  44 o 98.13945 1.113501  96.58299       2.185228  97.57733       3.123581  95.62983       3.058213  0.9860153      2.227002  
1 1 1 -17 7  45 f 61.24729 0.8044824 37.55958       0.9852015 36.75035       1.374853  38.41371       1.412480  -1.355034      1.608965  
1 1 1 -17 7  46 o 39.33549 0.7064578 15.47922       0.5552433 15.85008       0.8065299 15.14510       0.7655379 0.8930969      1.412916  
1 1 1 -17 7  47 o 42.20826 0.7175149 17.79053       0.6046860 18.77777       0.8870814 16.93365       0.8264450 2.179783       1.435030  
1 1 1 -17 7  48 o 60.32270 0.8111470 36.46399       0.9784749 36.75152       1.397573  36.18755       1.370372  0.4648285      1.622294  
1 1 1 -17 7  49 o 30.91947 0.7458463 9.581226       0.4611458 9.432366       0.6544438 9.728024       0.6498972 -0.4785500     1.491693  
1 1 1 -17 7  50 o 43.96686 0.7457189 19.37255       0.6556538 18.96863       0.9252312 19.77997       0.9292507 -0.9222717     1.491438  
1 1 1 -17 7  51 o 36.70352 0.7422311 13.46646       0.5438296 12.37176       0.7498908 14.68092       0.7898462 -3.141426      1.484462  
1 1 1 -17 7  52 o 43.77242 0.7566108 19.20524       0.6622136 18.63364       0.9320859 19.78782       0.9410005 -1.317375      1.513222  
1 1 1 -17 7  53 f 24.06131 0.8634178 5.810117       0.4154789 5.821941       0.5850291 5.798084       0.5901563 0.5031776E-01  1.726836  
1 1 1 -17 7  54 o 16.95356 1.227369  3.030586       0.3964797 2.131361       0.5892224 3.774610       0.5359674 -4.857342      2.454738  
1 1 1 -17 7  55 o 9.122184 1.998611  0.7127550      0.4112114 1.339632       0.6819804 0.3546442      0.5154533 4.246967       3.997222  
1 1 1 -17 7  56 o 41.54747 1.093693  17.25195       0.9053711 18.93007       1.353142  15.89176       1.218234  3.627190       2.187387  
1 1 1 -17 7  57 o 10.82470 2.229912  1.232258       0.5120363 1.202154       0.7246516 1.262275       0.7236068 -0.2251701     4.459824  
1 1 1 -17 7  58 o 38.52376 1.354381  15.25476       1.002653  15.97730       1.272235  14.07033       1.628893  2.579670       2.708763  
1 1 1 -17 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 8  1  o 95.60529 1.514805  91.37499       2.894255  89.40562       4.000282  93.53836       4.192683  -2.158577      3.029610  
1 1 1 -17 8  2  o 60.95894 1.093242  37.03728       1.330052  39.25067       1.960357  35.14932       1.810520  3.362492       2.186484  
1 1 1 -17 8  3  o 24.98179 0.5047360 6.169078       0.2507139 5.459579       0.3347652 7.075339       0.3783476 -3.233673      1.009472  
1 1 1 -17 8  4  o 149.5558 1.587918  222.0996       4.719079  238.4117       7.178082  209.6825       6.262743  9.591476       3.175835  
1 1 1 -17 8  5  o 265.7545 2.774407  707.6175       14.74546  703.5341       20.72690  711.8021       20.98189  -1.549103      5.548813  
1 1 1 -17 8  6  o 85.11860 0.9549471 72.17964       1.620646  76.00460       2.409001  69.01727       2.190437  4.102570       1.909894  
1 1 1 -17 8  7  o 225.5355 2.361176  509.3668       10.65014  506.6067       14.97954  512.1881       15.14496  -1.233795      4.722352  
1 1 1 -17 8  8  o 101.2319 1.109063  102.5115       2.245442  102.4771       3.179221  102.5457       3.171862  -0.3393555E-01 2.218125  
1 1 1 -17 8  9  o 120.6452 1.301000  145.2232       3.132452  139.9792       4.264994  151.3650       4.615669  -4.714546      2.602001  
1 1 1 -17 8  10 o 101.7677 1.362789  103.6805       2.619351  103.4223       4.519083  103.8112       3.214374  -0.2071762     2.725578  
1 1 1 -17 8  11 o 271.5249 4.012191  739.5323       21.76778  722.2996       30.01548  758.6510       31.61538  -6.634583      8.024383  
1 1 1 -17 8  12 o 91.00381 1.419885  82.64618       2.580044  79.27039       3.527118  86.53131       3.783862  -3.985947      2.839771  
1 1 1 -17 8  13 o 141.0765 2.114745  198.7820       5.954817  192.1211       8.118446  206.5388       8.760976  -5.097015      4.229490  
1 1 1 -17 8  14 o 55.11926 0.8312299 30.82322       0.8914498 32.48637       1.153590  28.35780       1.404528  3.747120       1.662460  
1 1 1 -17 8  15 o 117.8131 1.273774  138.0312       2.986952  147.0439       4.496923  130.9155       3.995730  6.838531       2.547548  
1 1 1 -17 8  16 o 116.1344 1.256564  134.9099       2.918205  136.2980       4.168859  133.5763       4.086311  1.170738       2.513128  
1 1 1 -17 8  17 o 46.58057 0.6453452 21.53755       0.5984887 23.41076       0.9003419 20.05452       0.8011047 3.601936       1.290690  
1 1 1 -17 8  18 o 126.4896 1.359366  160.0852       3.438889  159.6608       4.852064  160.5136       4.874661  -0.3367767     2.718731  
1 1 1 -17 8  19 o 169.5646 2.194260  289.2551       7.060776  292.1274       8.728212  283.8159       12.01091  2.529877       4.388519  
1 1 1 -17 8  20 o 186.5577 2.406698  349.7618       8.501030  352.0411       10.47393  345.3617       14.55252  1.901566       4.813396  
1 1 1 -17 8  21 o 104.7666 1.646064  109.8600       3.449020  109.3986       4.865794  110.3260       4.889594  -0.4421387     3.292127  
1 1 1 -17 8  22 o 391.1908 5.810531  1548.972       45.45515  1536.590       63.70259  1561.816       64.88015  -3.135925      11.62106  
1 1 1 -17 8  23 o 69.17484 1.197870  47.69020       1.653098  50.50372       2.445980  45.32454       2.242871  3.740097       2.395740  
1 1 1 -17 8  24 o 92.15318 1.482359  84.99170       2.731869  85.94440       3.893342  84.06770       3.834229  1.016907       2.964719  
1 1 1 -17 8  25 o 207.1413 2.658387  433.5706       10.51847  419.7912       17.57964  441.2544       13.12762  -5.369385      5.316775  
1 1 1 -17 8  26 o 164.8785 2.149127  271.9180       6.654137  274.0522       11.63906  270.8817       8.110276  0.8320770      4.298254  
1 1 1 -17 8  27 f 107.7081 1.181807  116.0248       2.544535  113.8236       3.531749  118.4007       3.669217  -2.121536      2.363613  
1 1 1 -17 8  28 o 50.40208 0.6888366 25.37311       0.6938410 24.38732       0.9589517 26.45618       1.005157  -2.051655      1.377673  
1 1 1 -17 8  29 o 13.80445 0.9019039 1.959430       0.2408404 1.417673       0.3461280 2.467906       0.3353281 -3.804191      1.803808  
1 1 1 -17 8  30 o 25.59379 0.6502987 6.508805       0.3317594 7.182303       0.4930674 5.951666       0.4484563 2.403385       1.300597  
1 1 1 -17 8  31 o 118.6515 1.292824  140.7601       3.064072  136.7189       4.208161  145.3203       4.470206  -3.614227      2.585648  
1 1 1 -17 8  32 f 34.70103 0.6279284 11.86454       0.4324176 13.66304       0.6626909 10.53096       0.5706423 4.511021       1.255857  
1 1 1 -17 8  33 o 61.82935 0.7764858 38.25122       0.9601816 37.99802       1.355469  38.50625       1.360347  -0.4108620     1.552972  
1 1 1 -17 8  34 o 49.65932 0.6935687 24.56963       0.6869636 26.06525       1.018535  23.32150       0.9304554 2.760052       1.387137  
1 1 1 -17 8  35 o 19.54421 0.7366148 3.811846       0.2875251 4.038553       0.4201604 3.612173       0.3943130 1.089954       1.473230  
1 1 1 -17 8  36 o 115.5669 1.266723  133.7850       2.926908  131.6658       4.077880  136.0367       4.203526  -1.883575      2.533446  
1 1 1 -17 8  37 o 41.74686 0.6698621 17.43101       0.5591301 16.86848       0.7819496 18.01954       0.7998116 -1.378002      1.339724  
1 1 1 -17 8  38 o 117.6945 1.290891  138.2794       3.028075  145.7148       4.513908  132.1955       4.083116  5.713333       2.581782  
1 1 1 -17 8  39 o 58.16535 0.7648146 33.72328       0.8877051 31.76355       1.207053  36.03181       1.310075  -3.664574      1.529629  
1 1 1 -17 8  40 o 91.66982 1.044645  84.12008       1.913724  86.16312       2.773718  82.26398       2.643783  2.117905       2.089291  
1 1 1 -17 8  41 o 65.29686 0.8218926 42.69376       1.073298  42.72089       1.524871  42.66711       1.510970  0.4038239E-01  1.643785  
1 1 1 -17 8  42 o 39.29179 1.006986  15.46824       0.7912498 15.24520       1.109893  15.69875       1.128327  -0.5757866     2.013972  
1 1 1 -17 8  43 f 39.37720 0.6914995 15.50731       0.5441461 14.65689       0.7575108 16.41397       0.7821583 -2.229671      1.382999  
1 1 1 -17 8  44 o 96.12735 1.096221  92.68617       2.107513  92.91224       2.989040  92.46267       2.971980  0.2321548      2.192443  
1 1 1 -17 8  45 o 87.00920 1.014941  75.91687       1.765883  76.61210       2.525054  75.25135       2.470509  0.7763367      2.029882  
1 1 1 -17 8  46 o 34.13031 0.7049570 11.66378       0.4811241 11.78625       0.6881420 11.54666       0.6729373 0.3498459      1.409914  
1 1 1 -17 8  47 o 35.89429 0.7143544 12.75991       0.5096263 11.06926       0.6830952 14.88216       0.7653369 -5.304554      1.428709  
1 1 1 -17 8  48 o 17.90482 0.9482278 3.215170       0.3394782 3.251697       0.4863590 3.180466       0.4740664 0.1974640      1.896456  
1 1 1 -17 8  49 o 23.78077 0.8398568 5.674568       0.3985519 5.201170       0.5602064 6.159744       0.5671324 -2.014662      1.679714  
1 1 1 -17 8  50 o 17.65086 1.034383  3.150777       0.3565695 2.326645       0.4938745 4.048108       0.5153410 -4.873423      2.068766  
1 1 1 -17 8  51 o 40.26952 0.7546906 16.26385       0.6073804 15.58982       0.8605117 16.93306       0.8574279 -1.668159      1.509381  
1 1 1 -17 8  52 f 21.09338 0.9310790 4.465775       0.3926352 4.489318       0.5639497 4.443630       0.5469792 0.1058178      1.862158  
1 1 1 -17 8  53 o 14.76584 1.239605  2.212173       0.3606138 2.682312       0.5148060 1.759243       0.5052968 3.123658       2.479209  
1 1 1 -17 8  54 o 35.88131 0.8834783 12.93229       0.6326465 12.80874       0.9230682 13.04175       0.8687912 -0.3331871     1.766957  
1 1 1 -17 8  55 o 34.22454 1.092998  11.78815       0.7481398 11.71844       1.057050  11.85812       1.059012  -0.2036591     2.185996  
1 1 1 -17 8  56 o 44.68842 1.090740  20.09893       0.9745557 19.39355       1.366353  20.82938       1.390422  -1.601227      2.181479  
1 1 1 -17 8  57 o 11.09097 2.634944  0.5483679      0.5971018 2.542949       1.425988  0.1242970      0.6575204 8.378319       5.269889  
1 1 1 -17 8  58 o 40.80956 1.868998  16.83875       1.525460  16.83875       1.525460  ?              ?         ?              ?         
1 1 1 -17 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 9  1  o 237.8471 3.531695  567.7593       16.79948  570.7303       23.87931  564.8480       23.63861  1.227753       7.063389  
1 1 1 -17 9  2  o 94.13127 1.500547  88.63795       2.824434  89.99079       4.042716  87.34798       3.947685  1.402336       3.001094  
1 1 1 -17 9  3  o 84.56929 1.376429  71.05112       2.316220  76.44634       3.496327  66.83144       3.092061  5.679054       2.752859  
1 1 1 -17 9  4  o 233.7507 3.471432  548.2274       16.22881  550.0486       23.01838  546.4272       22.88420  0.7700043      6.942865  
1 1 1 -17 9  5  o 259.8885 2.716678  674.6440       14.08190  704.6671       20.85904  649.5021       19.08822  10.56604       5.433355  
1 1 1 -17 9  6  o 118.3399 1.372402  140.5012       3.236027  134.8849       4.729150  145.4464       4.437617  -4.466248      2.744804  
1 1 1 -17 9  7  o 128.0613 1.775029  161.7619       4.373555  172.6944       7.363388  155.8028       5.436398  6.562035       3.550057  
1 1 1 -17 9  8  o 110.7004 1.684909  122.6311       3.729892  123.2417       5.324627  122.0428       5.226470  0.5399094      3.369818  
1 1 1 -17 9  9  o 116.8675 1.768200  136.6869       4.132631  137.6420       5.885186  135.7577       5.804495  0.8047791      3.536400  
1 1 1 -17 9  10 o 52.93503 0.9713630 25.42922       0.9760060 20.03069       1.176168  37.36695       1.749010  -16.36953      1.942726  
1 1 1 -17 9  11 o 165.7032 2.140126  274.5901       6.682796  273.9162       8.175322  275.9472       11.60166  -0.5406799     4.280252  
1 1 1 -17 9  12 f 311.9528 3.251104  976.0658       20.28328  979.9641       28.81074  972.2351       28.56067  1.230560       6.502207  
1 1 1 -17 9  13 o 122.9740 1.328818  151.3003       3.268159  150.3950       4.608717  152.2160       4.635147  -0.7400284     2.657635  
1 1 1 -17 9  14 o 144.9911 1.543492  210.0433       4.469892  216.4667       6.526106  204.3671       6.134789  4.166183       3.086984  
1 1 1 -17 9  15 o 135.3430 2.061197  183.1024       5.571771  189.1140       8.139346  177.8011       7.643368  4.168365       4.122393  
1 1 1 -17 9  16 o 146.8344 1.562329  215.3554       4.580873  222.7732       6.707669  208.8718       6.271019  4.726227       3.124657  
1 1 1 -17 9  17 o 140.9508 1.504458  198.7977       4.240823  197.4524       5.957285  200.1799       6.038397  -0.9661865     3.008915  
1 1 1 -17 9  18 o 176.3273 1.861738  311.1401       6.563148  315.6797       9.433415  306.8813       9.137063  2.488525       3.723476  
1 1 1 -17 9  19 o 76.08288 0.9683465 56.42956       1.416490  63.15002       2.410906  52.88669       1.750483  6.737167       1.936693  
1 1 1 -17 9  20 o 47.35542 0.6599984 22.42531       0.6249942 22.62059       0.8931645 22.23795       0.8748700 0.4038620      1.319997  
1 1 1 -17 9  21 o 214.4310 2.249499  460.6949       9.647001  458.8090       13.58502  462.6134       13.70157  -0.8834991     4.498997  
1 1 1 -17 9  22 o 197.3915 2.077350  390.2281       8.198803  385.6632       11.43764  395.0529       11.75874  -2.368500      4.154700  
1 1 1 -17 9  23 o 95.98872 1.069418  92.14317       2.052246  93.62707       2.951954  90.75508       2.855097  1.494370       2.138836  
1 1 1 -17 9  24 o 115.9580 1.260997  134.5257       2.923814  132.9104       4.083829  136.2244       4.187932  -1.426773      2.521993  
1 1 1 -17 9  25 o 124.2448 1.641055  156.1700       3.903824  160.3155       4.897379  148.9452       6.465273  4.621368       3.282109  
1 1 1 -17 9  26 o 32.60272 0.8284420 11.25078       0.5033579 12.78345       0.6360005 8.681209       0.8234987 6.294296       1.656884  
1 1 1 -17 9  27 o 201.9452 3.023214  410.1832       12.21046  409.8259       17.25287  410.5418       17.28357  -0.1751556     6.046428  
1 1 1 -17 9  28 o 30.84588 0.9831967 9.152891       0.5935023 12.31482       0.9439891 7.086025       0.7632157 8.471378       1.966393  
1 1 1 -17 9  29 o 107.0036 1.680764  114.6916       3.595653  116.7536       5.170092  112.7600       5.004017  1.858437       3.361528  
1 1 1 -17 9  30 o 79.70020 1.329194  63.09278       2.106302  68.36633       3.196052  59.04379       2.800508  5.832214       2.658388  
1 1 1 -17 9  31 f 28.63474 0.8793866 7.987935       0.4817360 8.938200       0.8294289 7.504197       0.5917819 2.496998       1.758773  
1 1 1 -17 9  32 o 29.56629 0.8301480 8.105919       0.4257951 10.05882       0.8912535 7.528357       0.4846861 4.267540       1.660296  
1 1 1 -17 9  33 o 47.58057 0.8658938 23.39127       0.7785551 20.25704       1.288428  25.19392       0.9771248 -5.198578      1.731788  
1 1 1 -17 9  34 f 116.7997 1.278597  136.6313       2.985476  139.0123       4.299386  134.4142       4.148838  1.959778       2.557194  
1 1 1 -17 9  35 o 20.70410 0.7540653 4.317906       0.3018686 2.973804       0.4138623 5.845912       0.4412678 -6.935152      1.508131  
1 1 1 -17 9  36 o 58.53236 0.7637445 34.28685       0.8939780 34.41273       1.274732  34.16501       1.254073  0.2108192      1.527489  
1 1 1 -17 9  37 o 57.14625 0.7551352 32.68085       0.8629743 32.02996       1.213426  33.34698       1.227556  -1.151756      1.510270  
1 1 1 -17 9  38 o 33.37131 0.6554447 11.13254       0.4367140 10.25056       0.6076491 12.07479       0.6280708 -2.732479      1.310889  
1 1 1 -17 9  39 o 66.88316 0.8312098 44.75436       1.111423  43.58595       1.545112  46.00710       1.599898  -1.807137      1.662420  
1 1 1 -17 9  40 o 30.75543 0.6792137 9.452506       0.4172253 9.744662       0.6093125 9.194587       0.5724982 0.8925190      1.358427  
1 1 1 -17 9  41 o 78.78699 0.9378900 62.18277       1.477810  62.32522       2.100472  62.04314       2.079564  0.1776199      1.875780  
1 1 1 -17 9  42 o 75.78011 1.193075  57.96789       1.785211  60.07510       2.369507  55.20151       2.714940  3.248756       2.386150  
1 1 1 -17 9  43 o 65.78266 0.8358040 43.31759       1.098999  44.20488       1.586801  42.49961       1.523566  1.291534       1.671608  
1 1 1 -17 9  44 o 58.02219 0.7835934 33.61156       0.9076787 31.86345       1.239195  35.63515       1.333263  -3.243015      1.567187  
1 1 1 -17 9  45 o 61.40638 0.8206422 37.75650       1.007291  38.52997       1.454042  37.04279       1.396735  1.206001       1.641284  
1 1 1 -17 9  46 o 63.17892 0.8318026 39.91953       1.049842  38.27101       1.443153  41.77257       1.530057  -2.763107      1.663605  
1 1 1 -17 9  47 o 71.65155 0.8968046 51.47189       1.285044  50.74498       1.803949  52.22076       1.831008  -1.026901      1.793609  
1 1 1 -17 9  48 o 37.56854 0.7297887 14.14034       0.5478356 13.33448       0.7685719 14.97267       0.7810928 -2.179085      1.459577  
1 1 1 -17 9  49 o 60.16654 0.8209274 36.28752       0.9876577 36.61241       1.413073  35.97721       1.380997  0.5242882      1.641855  
1 1 1 -17 9  50 f 8.126418 1.759526  0.6641334      0.3194291 0.4816341      0.4565220 0.8391832      0.4471071 -1.665197      3.519053  
1 1 1 -17 9  51 o 10.22307 1.640580  1.103149       0.3298032 0.8808330      0.4668177 1.324693       0.4660076 -2.100543      3.281160  
1 1 1 -17 9  52 o 51.46371 0.7962489 26.54822       0.8191894 27.10909       1.180248  26.02685       1.137929  1.045776       1.592498  
1 1 1 -17 9  53 o 35.75945 0.8907851 12.87640       0.6203239 12.66664       0.9938459 13.01028       0.7939714 -0.5116272     1.781570  
1 1 1 -17 9  54 o 38.26611 1.132187  14.74622       0.8564433 14.69323       1.313554  14.78541       1.129552  -0.1581383     2.264375  
1 1 1 -17 9  55 o 14.16074 2.119582  1.901771       0.5596860 3.024082       0.9929611 1.379176       0.6775767 5.535476       4.239164  
1 1 1 -17 9  56 o 35.81314 1.178220  12.99930       0.8340850 12.45380       1.265240  13.41857       1.109243  -1.385513      2.356440  
1 1 1 -17 9  57 o 29.83884 1.322647  8.978841       0.7730417 9.108904       1.227418  8.893331       0.9952279 0.2938061      2.645293  
1 1 1 -17 9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 10 1  o 169.0635 2.539662  286.1106       8.579725  279.7827       11.84004  293.1073       12.45006  -3.923416      5.079325  
1 1 1 -17 10 2  o 169.7653 2.550759  288.7258       8.659190  291.9472       12.38156  285.6417       12.11470  1.849640       5.101517  
1 1 1 -17 10 3  o 158.1821 3.382365  0.000000       0.000000  ?              ?         250.6560       10.70059  ?              ?         
1 1 1 -17 10 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 10 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 10 6  o 266.0723 3.937227  709.2901       20.90141  738.3669       30.86259  684.6547       28.40788  9.990479       7.874453  
1 1 1 -17 10 7  f 35.56538 0.6581194 12.76541       0.4635974 13.79582       0.6307794 11.55499       0.6836600 3.150661       1.316239  
1 1 1 -17 10 8  o 208.1485 2.183708  433.4239       9.082787  444.2993       13.17940  423.5862       12.53483  4.960571       4.367417  
1 1 1 -17 10 9  o 28.32798 0.5562242 7.983853       0.3142899 8.782450       0.4632271 7.302651       0.4278266 2.611691       1.112448  
1 1 1 -17 10 10 o 175.2797 1.849822  306.9230       6.473402  297.6026       8.847614  317.6603       9.496317  -5.708725      3.699645  
1 1 1 -17 10 11 o 143.2092 1.526253  204.4331       4.357247  195.9200       5.884366  214.7672       6.483229  -6.570389      3.052506  
1 1 1 -17 10 12 o 153.2917 1.629669  235.1749       4.996248  235.6331       7.083574  234.7212       7.048082  0.2967987      3.259337  
1 1 1 -17 10 13 o 205.6409 2.158580  422.7847       8.864991  411.0099       12.15214  436.1789       12.96088  -6.100266      4.317160  
1 1 1 -17 10 14 o 145.1251 1.546431  210.7028       4.487337  213.7071       6.435731  207.8603       6.260022  2.011322       3.092863  
1 1 1 -17 10 15 o 61.90771 1.120750  37.38568       1.365489  43.75323       2.181992  33.28675       1.750663  8.447716       2.241500  
1 1 1 -17 10 16 o 68.49574 0.8178685 46.90038       1.120015  47.91453       1.610326  45.95009       1.558812  1.433487       1.635737  
1 1 1 -17 10 17 o 278.6593 2.909787  778.2737       16.20750  793.4366       23.39937  764.2906       22.47055  5.196472       5.819574  
1 1 1 -17 10 18 f 153.3774 1.631966  235.4656       5.005980  234.2518       7.046148  236.7027       7.113379  -0.7975311     3.263931  
1 1 1 -17 10 19 o 78.02797 0.9059883 60.86028       1.412910  62.02048       2.042764  59.79613       1.956347  1.424263       1.811977  
1 1 1 -17 10 20 o 74.60591 0.8755512 55.29255       1.300287  59.57494       1.957959  51.91367       1.739187  5.131645       1.751102  
1 1 1 -17 10 21 f 102.8772 1.134788  105.8978       2.334874  105.9988       3.301404  105.7966       3.302618  0.9828949E-01  2.269576  
1 1 1 -17 10 22 o 43.37184 0.6471370 18.78960       0.5609088 19.44604       0.8132309 18.19396       0.7746633 1.443016       1.294274  
1 1 1 -17 10 23 o 152.8722 1.627778  233.9996       4.976789  234.5106       7.057049  233.4940       7.019585  0.3314514      3.255555  
1 1 1 -17 10 24 o 23.99482 0.6455005 5.724498       0.3087757 6.378710       0.4560211 5.170617       0.4195988 2.516949       1.291001  
1 1 1 -17 10 25 o 78.37868 0.9082077 61.45182       1.423502  60.79421       1.993911  62.13541       2.032928  -0.8548279     1.816415  
1 1 1 -17 10 26 o 139.5845 1.495727  194.9524       4.172588  190.9024       5.770769  199.3896       6.040317  -3.030853      2.991454  
1 1 1 -17 10 27 o 67.58408 0.8197988 44.82013       1.093701  51.12377       1.724263  40.57662       1.414720  7.796581       1.639598  
1 1 1 -17 10 28 o 117.9014 1.282856  139.1892       3.024987  138.8089       4.267741  139.5732       4.288287  -0.3233871     2.565712  
1 1 1 -17 10 29 o 151.7852 1.620115  230.7722       4.915368  235.3240       7.096793  226.5752       6.814554  2.867493       3.240230  
1 1 1 -17 10 30 o 102.0328 1.132132  104.2139       2.309916  105.2730       3.302586  103.1997       3.231987  1.013298       2.264265  
1 1 1 -17 10 31 o 166.9005 1.774596  278.5490       5.907619  291.0785       8.748076  268.0449       8.009910  6.853714       3.549192  
1 1 1 -17 10 32 o 44.14068 0.8445028 18.74746       0.6764024 17.79164       0.7935226 21.28761       1.293603  -3.942833      1.689006  
1 1 1 -17 10 33 o 120.6422 1.610725  147.0622       3.699749  149.5058       4.598701  142.5783       6.229321  2.986855       3.221451  
1 1 1 -17 10 34 o 26.04491 1.052424  6.544343       0.5371994 8.698784       0.8520501 5.122928       0.6920832 6.856968       2.104848  
1 1 1 -17 10 35 o 91.29840 1.494244  83.57609       2.727261  84.95673       3.926470  82.28910       3.790958  1.450798       2.988487  
1 1 1 -17 10 36 o 45.48204 1.018924  20.55986       0.9227170 22.41879       1.387423  19.08556       1.235575  3.656059       2.037848  
1 1 1 -17 10 37 o 26.15310 1.079565  6.861001       0.5639090 6.503173       0.8020890 7.210734       0.7929649 -1.353277      2.159131  
1 1 1 -17 10 38 o 45.59842 1.029759  20.83072       0.9390969 20.72376       1.328427  20.93756       1.327740  -0.2344704     2.059518  
1 1 1 -17 10 39 o 31.12278 1.040319  9.701931       0.6473800 9.939754       0.9284593 9.476907       0.9031331 0.7417412      2.080637  
1 1 1 -17 10 40 o 56.20200 1.112171  31.63268       1.249290  32.50748       1.807527  30.83257       1.728638  1.483902       2.224343  
1 1 1 -17 10 41 o 23.44420 1.093855  5.984428       0.4451688 4.517292       0.8179996 6.601799       0.5306293 -4.468828      2.187711  
1 1 1 -17 10 42 o 89.62016 1.284588  80.21056       2.145585  81.81693       3.818146  79.46920       2.593870  1.177505       2.569175  
1 1 1 -17 10 43 f 44.00275 0.9037291 19.96365       0.7468383 17.69724       1.260573  21.18944       0.9270580 -3.995926      1.807458  
1 1 1 -17 10 44 o 24.08183 0.8589439 5.927498       0.4049544 5.072732       0.6100193 6.600960       0.5414729 -3.179020      1.717888  
1 1 1 -17 10 45 o 67.37160 0.8600850 45.41159       1.157746  43.70356       1.594305  47.31715       1.683972  -2.673454      1.720170  
1 1 1 -17 10 46 o 60.16415 0.8124722 36.24140       0.9771568 34.98479       1.357590  37.59225       1.407582  -2.162167      1.624944  
1 1 1 -17 10 47 o 35.90832 0.7520261 12.76324       0.5362262 14.25857       0.8204570 11.64823       0.7084823 3.623978       1.504052  
1 1 1 -17 10 48 o 40.16571 0.7574915 16.19140       0.6070794 14.89626       0.8576149 17.49214       0.8594680 -3.231266      1.514983  
1 1 1 -17 10 49 o 22.61285 0.9236975 5.073701       0.4140099 5.545778       0.6389330 4.732040       0.5435588 1.786867       1.847395  
1 1 1 -17 10 50 o 34.25182 0.9895111 11.81937       0.6172611 11.68239       1.135586  11.87681       0.7353868 -0.3404694     1.979022  
1 1 1 -17 10 51 o 39.86502 1.081956  16.00095       0.8570223 15.75618       1.282118  16.19866       1.152277  -0.5774918     2.163912  
1 1 1 -17 10 52 o 9.909101 2.260319  0.9999937      0.5076041 0.7214683      0.8578883 1.150033       0.6296524 -1.095890      4.520638  
1 1 1 -17 10 53 o 53.03593 1.144310  28.28341       1.209161  28.64673       1.795015  27.98159       1.636043  0.5947762      2.288620  
1 1 1 -17 10 54 o 36.07067 1.148426  12.66680       0.8097741 15.19139       1.327786  11.17173       1.021793  5.504547       2.296852  
1 1 1 -17 10 55 o 17.21891 1.762234  2.936426       0.5837865 3.310363       0.9925103 2.738621       0.7218636 1.564562       3.524467  
1 1 1 -17 10 56 o 8.329643 2.289826  0.4356097      0.5356902 0.6641393      0.8665081 0.2942351      0.6815333 1.705604       4.579652  
1 1 1 -17 10 57 o 32.02316 1.286876  10.60936       0.8025615 8.956776       1.220936  11.86671       1.064970  -4.587711      2.573752  
1 1 1 -17 10 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 4  o 249.8659 5.250136  627.1708       26.23659  627.1708       26.23659  ?              ?         ?              ?         
1 1 1 -17 11 5  f 79.21708 1.324801  62.45980       2.090363  59.36861       2.807340  66.30636       3.131613  -4.373978      2.649602  
1 1 1 -17 11 6  o 255.3999 2.675327  653.5854       13.66138  645.1837       19.04098  662.4985       19.61187  -3.372162      5.350654  
1 1 1 -17 11 7  o 91.23520 1.015899  82.98047       1.848939  87.10371       2.736243  79.51587       2.508204  4.155739       2.031798  
1 1 1 -17 11 8  o 109.8656 1.197027  120.7473       2.630008  121.7177       3.749658  119.8077       3.689847  0.8684387      2.394054  
1 1 1 -17 11 9  o 242.0653 2.532463  587.1123       12.25914  591.9023       17.48913  582.4853       17.18886  1.936371       5.064925  
1 1 1 -17 11 10 o 188.8959 1.989272  357.0322       7.510861  364.1725       10.84762  350.4566       10.40982  3.620422       3.978543  
1 1 1 -17 11 11 o 122.7550 1.325096  150.6086       3.250325  154.5428       4.718373  147.0557       4.483893  3.045959       2.650192  
1 1 1 -17 11 12 o 174.6462 1.843510  305.1662       6.435716  299.7469       8.926383  311.0325       9.287294  -3.223022      3.687020  
1 1 1 -17 11 13 f 94.09613 1.049338  88.53504       1.973963  87.27777       2.745305  89.88084       2.840330  -1.381973      2.098675  
1 1 1 -17 11 14 o 89.19313 1.002734  79.19027       1.782272  84.04651       2.661225  75.24063       2.399994  4.933113       2.005468  
1 1 1 -17 11 15 o 93.76974 1.505545  87.59461       2.813907  92.77650       4.194164  83.35284       3.794687  5.017014       3.011091  
1 1 1 -17 11 16 o 287.7545 3.005282  830.7242       17.29171  840.5919       24.77240  821.3478       24.14791  3.317993       6.010564  
1 1 1 -17 11 17 o 179.5647 1.896400  322.8266       6.809060  318.9835       9.511307  326.8668       9.752138  -2.188446      3.792800  
1 1 1 -17 11 18 o 103.4033 1.141019  106.7024       2.354763  102.9116       3.207641  111.1331       3.467833  -3.970924      2.282038  
1 1 1 -17 11 19 o 239.1519 2.505502  572.1855       11.95936  553.5376       16.30136  593.9214       17.59931  -8.391418      5.011005  
1 1 1 -17 11 20 o 118.9801 1.292093  141.6212       3.073691  139.7673       4.282930  143.5901       4.413732  -1.603729      2.584186  
1 1 1 -17 11 21 f 80.03627 0.9266976 63.11469       1.466945  57.98478       1.910129  70.49056       2.290416  -7.806450      1.853395  
1 1 1 -17 11 22 o 43.62209 0.6482142 18.74121       0.5605867 21.31297       0.8654700 16.88235       0.7357997 5.076813       1.296428  
1 1 1 -17 11 23 o 35.77045 0.6237959 12.78812       0.4456168 11.84995       0.6211539 13.78299       0.6396476 -2.701763      1.247592  
1 1 1 -17 11 24 o 43.09132 0.7129617 18.71661       0.6074038 17.50970       0.9140558 19.67100       0.8128251 -2.509445      1.425923  
1 1 1 -17 11 25 o 68.89917 0.8278801 47.12719       1.134965  44.06511       1.514490  51.04989       1.714156  -5.064842      1.655760  
1 1 1 -17 11 26 f 18.74012 0.7247048 3.482179       0.2703469 3.965446       0.4035059 3.088544       0.3641694 2.338873       1.449410  
1 1 1 -17 11 27 o 88.39452 1.003063  78.12107       1.772030  76.15839       2.450100  80.27379       2.565971  -2.324371      2.006125  
1 1 1 -17 11 28 o 43.55530 0.6513732 18.77076       0.5639133 20.89790       0.8576395 17.15076       0.7484525 4.299267       1.302746  
1 1 1 -17 11 29 o 65.12955 0.7996330 42.43669       1.041437  42.88209       1.488467  42.00954       1.457646  0.6690216      1.599266  
1 1 1 -17 11 30 o 102.4389 1.135940  104.7163       2.321151  100.3848       3.147515  109.8803       3.436725  -4.622536      2.271881  
1 1 1 -17 11 31 f 77.45325 0.9067371 60.00124       1.403876  58.60459       1.947653  61.51159       2.025389  -1.873619      1.813474  
1 1 1 -17 11 32 o 38.20992 0.6470238 14.33969       0.4897430 16.74632       0.7580139 12.61528       0.6416432 5.402321       1.294048  
1 1 1 -17 11 33 o 42.56722 0.6625901 17.91956       0.5607948 16.00439       0.7472776 20.38869       0.8484977 -5.146698      1.325180  
1 1 1 -17 11 34 f 68.12415 1.154286  46.46956       1.572010  47.39662       2.264043  45.60656       2.184411  1.309189       2.308572  
1 1 1 -17 11 35 o 29.04499 0.6617533 8.449996       0.3839813 8.033815       0.5451778 8.859688       0.5409107 -1.421864      1.323507  
1 1 1 -17 11 36 o 22.31806 0.8321882 4.975526       0.3581512 5.027280       0.5923532 4.945704       0.4496502 0.1761818      1.664376  
1 1 1 -17 11 37 o 113.8806 1.257306  130.0070       2.862839  131.5298       4.106920  128.5677       3.992822  1.291672       2.514612  
1 1 1 -17 11 38 o 11.87604 1.293998  1.512158       0.2841142 1.109442       0.4359162 1.809568       0.3746122 -3.126275      2.587995  
1 1 1 -17 11 39 o 81.56944 0.9619266 66.49220       1.566099  69.15214       2.304606  64.20995       2.134734  3.017952       1.923853  
1 1 1 -17 11 40 o 54.04803 0.7655338 29.24801       0.8273841 28.54302       1.165093  29.96524       1.175168  -1.315094      1.531068  
1 1 1 -17 11 41 o 78.10915 0.9411905 60.99069       1.467437  63.42505       2.157995  58.89686       2.001383  2.886131       1.882381  
1 1 1 -17 11 42 o 18.22532 1.027215  3.345622       0.3709408 3.908721       0.5285167 2.798954       0.5207486 3.043840       2.054430  
1 1 1 -17 11 43 o 69.71200 1.099433  48.01062       1.416305  46.83257       1.693901  50.74763       2.581925  -2.708557      2.198866  
1 1 1 -17 11 44 o 64.50502 1.053156  41.68078       1.275164  41.55220       1.553952  41.94588       2.231214  -0.2299347     2.106312  
1 1 1 -17 11 45 o 60.43983 1.031599  35.84286       1.155447  34.56551       1.381767  38.81268       2.106907  -3.427845      2.063197  
1 1 1 -17 11 46 o 106.5510 1.580346  114.1803       3.286015  112.9323       4.199383  116.1514       5.277457  -1.298447      3.160691  
1 1 1 -17 11 47 o 14.41603 2.838046  0.000000       0.000000  ?              ?         2.180088       0.7891196 ?              ?         
1 1 1 -17 11 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 50 o 68.87202 1.852787  47.78931       2.552104  47.78931       2.552104  ?              ?         ?              ?         
1 1 1 -17 11 51 o 26.16524 1.322268  6.907102       0.6897535 6.206427       0.9646894 7.639962       0.9865972 -2.734386      2.644536  
1 1 1 -17 11 52 o 32.30125 1.593900  10.39345       1.013437  11.51719       1.610795  9.657209       1.303823  2.792698       3.187799  
1 1 1 -17 11 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 12 1  o 24.17003 1.566702  5.844918       0.7573447 5.844918       0.7573447 ?              ?         ?              ?         
1 1 1 -17 12 2  o 106.9515 1.681437  114.0230       3.585091  120.4815       5.335333  108.7061       4.840831  5.493027       3.362873  
1 1 1 -17 12 3  o 101.6654 1.610516  103.4415       3.274179  104.7471       4.680219  102.1900       4.582118  1.255432       3.221031  
1 1 1 -17 12 4  o 113.8078 1.772978  128.3698       4.003878  139.8393       6.144163  119.9044       5.278574  8.737114       3.545956  
1 1 1 -17 12 5  o 282.9781 4.200963  806.1446       23.77551  805.0342       33.56419  807.2630       33.68342  -0.3870544     8.401927  
1 1 1 -17 12 6  o 138.9212 2.124970  192.5262       5.885534  202.9667       8.752353  183.9080       7.951908  6.836838       4.249939  
1 1 1 -17 12 7  o 65.29692 0.7825711 42.62091       1.021479  41.87876       1.417951  43.42159       1.472789  -1.180824      1.565142  
1 1 1 -17 12 8  f 298.3153 3.114255  893.1548       18.58035  895.7905       26.35792  890.5514       26.19600  0.8713989      6.228509  
1 1 1 -17 12 9  o 49.45504 0.6645292 23.32204       0.6388771 29.53142       1.068794  19.86986       0.7969240 9.765591       1.329058  
1 1 1 -17 12 10 o 166.2463 1.759326  276.6351       5.848344  279.9912       8.376675  273.4434       8.168855  1.964355       3.518652  
1 1 1 -17 12 11 f 55.99162 0.7130041 31.32530       0.7979933 30.42411       1.106035  32.30373       1.152463  -1.678028      1.426008  
1 1 1 -17 12 12 o 116.7586 1.266839  136.4120       2.958254  136.8302       4.195997  135.9987       4.171317  0.3555908      2.533679  
1 1 1 -17 12 13 o 115.6584 1.262115  133.8561       2.919469  134.2078       4.136889  133.5072       4.120664  0.3025436      2.524231  
1 1 1 -17 12 14 o 336.9752 3.518263  1141.567       23.71135  1141.390       33.52120  1141.744       33.54463  -0.5130005E-01 7.036527  
1 1 1 -17 12 15 o 137.9796 2.109007  190.3897       5.810712  196.9813       8.510939  184.6346       7.952621  4.455734       4.218014  
1 1 1 -17 12 16 o 189.9913 2.002350  361.6210       7.608582  361.6263       10.76190  361.6157       10.75842  0.2685547E-02  4.004700  
1 1 1 -17 12 17 o 119.6053 1.297355  142.8741       3.098307  148.0249       4.540994  138.3877       4.238015  4.022346       2.594709  
1 1 1 -17 12 18 f 32.42664 0.6148424 10.52888       0.3982857 10.09427       0.5684628 10.94794       0.5581995 -1.316418      1.229685  
1 1 1 -17 12 19 o 190.4582 2.007814  363.4929       7.648061  362.8816       10.79825  364.1082       10.83382  -0.3207245     4.015627  
1 1 1 -17 12 20 o 169.8007 1.799220  288.7228       6.107982  293.2224       8.780155  284.5033       8.502516  2.557541       3.598441  
1 1 1 -17 12 21 o 154.8623 1.648894  240.1952       5.106620  238.4062       7.167270  242.0398       7.277699  -1.169235      3.297788  
1 1 1 -17 12 22 o 99.10042 1.100293  98.28219       2.180720  98.67001       3.098646  97.90162       3.069568  0.3869553      2.200586  
1 1 1 -17 12 23 o 75.94971 0.8902802 57.70058       1.352090  58.43657       1.934430  56.99757       1.890610  0.9463882      1.780560  
1 1 1 -17 12 24 o 70.26407 0.8428494 49.26715       1.182152  51.40023       1.738546  47.43278       1.612222  2.820435       1.685699  
1 1 1 -17 12 25 o 126.8692 1.373813  160.8948       3.480583  166.6601       5.094695  155.8488       4.766278  4.247627       2.747627  
1 1 1 -17 12 26 o 66.28729 0.8100551 43.76945       1.070902  41.45686       1.449473  46.54910       1.589109  -3.837410      1.620110  
1 1 1 -17 12 27 o 24.55202 0.6581936 5.860289       0.3186011 7.289675       0.5011356 4.890618       0.4127554 4.883707       1.316387  
1 1 1 -17 12 28 o 56.93365 0.7403346 32.43020       0.8429061 32.55050       1.201971  32.31379       1.182369  0.2073669      1.480669  
1 1 1 -17 12 29 o 67.51537 0.8244604 45.23604       1.106766  49.07134       1.679254  42.29052       1.471625  5.014923       1.648921  
1 1 1 -17 12 30 o 63.22015 0.7913027 39.99673       1.000432  40.15407       1.425805  39.84414       1.404093  0.2443657      1.582605  
1 1 1 -17 12 31 o 63.34752 0.7964985 39.97344       1.006315  37.71246       1.362350  42.68844       1.492878  -3.922783      1.592997  
1 1 1 -17 12 32 o 27.08879 0.6713169 7.290800       0.3620579 7.879261       0.5445982 6.824707       0.4846781 1.944544       1.342634  
1 1 1 -17 12 33 o 49.70398 0.9649738 24.70531       0.9574984 25.25710       1.403496  24.22489       1.309590  1.033703       1.929948  
1 1 1 -17 12 34 o 83.15021 0.9681991 68.86414       1.603352  73.17799       2.404108  65.40829       2.151783  4.658897       1.936398  
1 1 1 -17 12 35 o 73.77567 0.8889861 54.32936       1.309221  51.87292       1.785462  57.18624       1.925493  -3.593971      1.777972  
1 1 1 -17 12 36 f 47.38847 0.7063556 22.46479       0.6689336 22.75712       0.9680224 22.19762       0.9254433 0.5884590      1.412711  
1 1 1 -17 12 37 o 33.51572 0.6748537 11.18557       0.4503002 11.82118       0.6764027 10.67965       0.6034620 1.699532       1.349707  
1 1 1 -17 12 38 o 48.27955 0.7154871 23.15194       0.6871246 25.03147       1.039639  21.69411       0.9156152 3.450035       1.430974  
1 1 1 -17 12 39 f 63.34647 0.8186170 40.16360       1.036389  40.78742       1.498789  39.59202       1.434665  0.9394188      1.637234  
1 1 1 -17 12 40 o 12.70623 1.217721  1.609973       0.3067835 1.695417       0.4704383 1.546750       0.4046671 0.5782356      2.435442  
1 1 1 -17 12 41 o 74.28638 1.312810  55.42903       1.950393  54.85338       2.743213  56.01748       2.773581  -0.7798309     2.625621  
1 1 1 -17 12 42 o 34.38647 0.7387739 11.86053       0.5050375 10.23867       0.7056355 13.56389       0.7231482 -4.833742      1.477548  
1 1 1 -17 12 43 f 69.20131 1.068980  47.81639       1.386203  48.73003       2.440997  47.38150       1.684106  0.8894043      2.137960  
1 1 1 -17 12 44 o 26.50367 1.064620  7.047793       0.5587791 7.068243       0.8525577 7.032394       0.7398414 0.5388260E-01  2.129241  
1 1 1 -17 12 45 o 82.70145 1.386636  68.86073       2.293362  68.28658       3.254030  69.42736       3.232684  -0.6933594     2.773272  
1 1 1 -17 12 46 o 27.02552 1.094248  7.376804       0.5852149 7.033600       0.8827111 7.645957       0.7817019 -1.147556      2.188495  
1 1 1 -17 12 47 o 31.14721 0.8247349 9.707863       0.5128176 10.57846       0.7418894 8.911286       0.7096513 2.672638       1.649470  
1 1 1 -17 12 48 o 45.05709 0.7758918 20.36413       0.6983039 20.08270       1.009336  20.62251       0.9671180 -0.6037903     1.551784  
1 1 1 -17 12 49 o 23.33353 0.9101854 5.395226       0.4212660 5.995119       0.6484667 4.957199       0.5541173 2.211132       1.820371  
1 1 1 -17 12 50 o 21.66378 0.9977263 4.805991       0.4235933 4.105750       0.6351522 5.366940       0.5684804 -2.921944      1.995453  
1 1 1 -17 12 51 o 40.59023 0.8357289 16.40055       0.6750921 18.85950       1.002384  14.35936       0.9132742 5.530266       1.671458  
1 1 1 -17 12 52 o 32.61220 1.036900  10.68721       0.6755235 10.55673       0.9306465 10.83253       0.9820978 -0.4131775     2.073801  
1 1 1 -17 12 53 o 38.74976 1.128852  15.15399       0.8631462 14.92069       1.328433  15.32444       1.135495  -0.5636787     2.257703  
1 1 1 -17 12 54 o 35.82991 1.161785  12.56573       0.8163685 14.85927       1.322541  11.15388       1.037648  5.101952       2.323569  
1 1 1 -17 12 55 o 23.96181 1.404572  5.922181       0.6533077 5.297750       1.024930  6.349514       0.8478799 -2.248869      2.809144  
1 1 1 -17 12 56 o 18.80584 1.724458  3.609394       0.6245016 3.586885       1.030338  3.622465       0.7851632 -0.1904984     3.448917  
1 1 1 -17 12 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 13 1  o 70.45584 1.231636  49.55244       1.732892  51.89098       2.537600  47.50895       2.372118  3.106377       2.463273  
1 1 1 -17 13 2  o 155.4500 2.354415  242.0250       7.313591  236.7638       10.09588  247.8347       10.60915  -3.541122      4.708829  
1 1 1 -17 13 3  o 159.7138 2.416470  255.4621       7.711667  262.4958       11.20152  249.1248       10.63260  4.163696       4.832940  
1 1 1 -17 13 4  o 141.4616 2.157225  200.4267       6.100745  204.1569       8.782328  196.9480       8.481071  2.537582       4.314449  
1 1 1 -17 13 5  o 149.9487 2.276890  224.8792       6.816361  233.3287       10.00250  217.5530       9.313879  5.235382       4.553779  
1 1 1 -17 13 6  f 119.0517 1.851705  141.7076       4.403685  146.7534       6.421989  137.2293       6.050133  3.989044       3.703410  
1 1 1 -17 13 7  f 249.5040 2.613682  624.2372       13.03902  632.3250       18.69909  616.5828       18.19132  3.133682       5.227364  
1 1 1 -17 13 8  o 74.66364 0.8666356 55.74084       1.293710  54.84399       1.802164  56.69444       1.858292  -1.238419      1.733271  
1 1 1 -17 13 9  o 129.3728 1.390598  167.3856       3.595724  170.9993       5.199911  164.0743       4.977614  2.671448       2.781195  
1 1 1 -17 13 10 o 126.3784 1.361651  159.8206       3.441135  158.3170       4.816146  161.3887       4.918467  -1.213058      2.723302  
1 1 1 -17 13 11 o 127.6790 1.375725  162.9324       3.508823  158.7892       4.823245  167.5901       5.113957  -3.440048      2.751450  
1 1 1 -17 13 12 o 146.2348 1.559520  213.6728       4.553822  207.2258       6.232159  221.0582       6.670296  -4.718353      3.119039  
1 1 1 -17 13 13 o 64.12404 0.7891269 40.33584       0.9987792 46.02547       1.575342  36.51158       1.291536  7.414635       1.578254  
1 1 1 -17 13 14 o 101.4521 1.120889  101.7607       2.252947  111.6967       3.485788  94.63238       2.952503  8.399879       2.241778  
1 1 1 -17 13 15 o 43.88700 0.9971647 19.24059       0.8745621 20.23189       1.264701  18.33214       1.210701  2.163414       1.994329  
1 1 1 -17 13 16 o 46.35734 0.6596752 21.31844       0.6085941 23.27712       0.9182244 19.78386       0.8127578 3.766445       1.319350  
1 1 1 -17 13 17 o 105.4816 1.159849  111.0155       2.441155  106.7589       3.318478  116.0354       3.603770  -4.390579      2.319698  
1 1 1 -17 13 18 o 153.0462 1.631794  234.3864       4.990768  229.4108       6.894279  239.8646       7.233995  -3.403412      3.263589  
1 1 1 -17 13 19 o 110.9520 1.213898  122.2839       2.677309  131.4086       4.064815  115.2921       3.558143  7.249077       2.427797  
1 1 1 -17 13 20 o 143.7490 1.537879  206.9601       4.421339  206.5469       6.238530  207.3772       6.267003  -0.2877655     3.075758  
1 1 1 -17 13 21 o 69.96295 0.8385839 47.84292       1.154824  43.01357       1.481627  55.31798       1.843325  -8.785942      1.677168  
1 1 1 -17 13 22 o 41.60174 0.6480092 17.30680       0.5390576 17.03014       0.7531486 17.59739       0.7718818 -0.6814384     1.296018  
1 1 1 -17 13 23 o 124.8286 1.354274  155.8538       3.377288  151.9255       4.646775  160.2524       4.917094  -3.324509      2.708548  
1 1 1 -17 13 24 o 82.86226 0.9531240 68.27761       1.571879  73.03894       2.368337  64.52887       2.101461  5.126938       1.906248  
1 1 1 -17 13 25 o 103.2276 1.142413  106.4768       2.354719  110.2706       3.450639  103.1706       3.221325  3.430267       2.284827  
1 1 1 -17 13 26 o 66.60350 0.8152039 44.26678       1.083968  42.43307       1.479886  46.38938       1.592191  -2.966873      1.630408  
1 1 1 -17 13 27 o 47.44788 0.6829643 22.51427       0.6479540 21.91436       0.9059004 23.14266       0.9271601 -1.293804      1.365929  
1 1 1 -17 13 28 o 74.42189 0.8817278 55.36545       1.311045  56.97218       1.907013  53.92546       1.805356  2.043076       1.763456  
1 1 1 -17 13 29 o 38.77119 0.6506244 15.04113       0.5044714 14.84760       0.7140962 15.23393       0.7127663 -0.4982452     1.301249  
1 1 1 -17 13 30 o 103.0791 1.148703  105.5829       2.353132  113.7925       3.578740  99.33012       3.123235  6.990753       2.297405  
1 1 1 -17 13 31 o 32.06442 0.6607342 10.18315       0.4211529 11.24391       0.6401684 9.373719       0.5592077 2.913656       1.321468  
1 1 1 -17 13 32 o 47.70451 0.6999904 22.54484       0.6636371 24.80430       1.010311  20.83009       0.8801449 4.160641       1.399981  
1 1 1 -17 13 33 o 42.08360 0.6833622 17.41841       0.5701575 14.99358       0.7528031 20.68065       0.8731689 -6.752380      1.366724  
1 1 1 -17 13 34 o 18.62138 0.8549826 3.511376       0.3145563 3.132175       0.4660645 3.828618       0.4262911 -1.871958      1.709965  
1 1 1 -17 13 35 o 100.5450 1.130003  100.1247       2.251994  92.89536       2.955538  110.1319       3.477301  -8.533295      2.260006  
1 1 1 -17 13 36 o 17.30978 0.8909785 2.915306       0.3038358 3.698732       0.4758672 2.376121       0.3947810 3.815349       1.781957  
1 1 1 -17 13 37 o 60.16313 0.7911926 36.06964       0.9495831 33.81450       1.288224  38.75300       1.405217  -4.097668      1.582385  
1 1 1 -17 13 38 f 79.50411 0.9483526 63.33676       1.507901  63.40231       2.142392  63.27241       2.122732  0.8020020E-01  1.896705  
1 1 1 -17 13 39 f 20.62141 0.8841774 4.330312       0.3585714 3.722266       0.5325124 4.834702       0.4850037 -2.700823      1.768355  
1 1 1 -17 13 40 o 90.81345 1.291008  82.17921       2.190758  84.67033       3.888492  81.02081       2.651648  1.862144       2.582017  
1 1 1 -17 13 41 o 51.77950 1.046688  26.90403       1.082631  26.74700       1.567616  27.04722       1.496970  -0.2975349     2.093375  
1 1 1 -17 13 42 o 121.9068 1.902010  150.2003       4.636048  151.5767       6.647801  148.8972       6.468595  1.062668       3.804020  
1 1 1 -17 13 43 o 50.69650 0.9005740 25.87449       0.8867705 26.22235       1.130959  25.31930       1.428776  0.9211426      1.801148  
1 1 1 -17 13 44 o 53.24224 0.7804883 27.99367       0.8234450 31.46541       1.274582  25.50655       1.078804  5.577103       1.560977  
1 1 1 -17 13 45 o 35.97768 0.7538059 13.01277       0.5404651 12.33988       0.7851378 13.61878       0.7450990 -1.781345      1.507612  
1 1 1 -17 13 46 o 82.33690 0.9955320 67.73838       1.634685  64.05212       2.211740  72.17629       2.426782  -4.904228      1.991064  
1 1 1 -17 13 47 o 26.48593 0.8676389 7.045185       0.4556886 6.970196       0.6890203 7.103484       0.6075273 -0.2618446     1.735278  
1 1 1 -17 13 48 o 51.37951 0.7941365 26.44926       0.8149210 26.82556       1.187613  26.11443       1.120277  0.6840591      1.588273  
1 1 1 -17 13 49 o 34.25107 0.7987378 11.63378       0.5430700 12.84467       0.8323459 10.73620       0.7166162 3.062504       1.597476  
1 1 1 -17 13 50 o 27.18306 0.9200590 7.460073       0.4967102 6.489067       0.7056897 8.413474       0.6992632 -3.540751      1.840118  
1 1 1 -17 13 51 o 13.14544 1.910441  1.815641       0.4852250 1.965399       0.7091387 1.683796       0.6653739 1.048011       3.820881  
1 1 1 -17 13 52 o 43.10794 1.110196  18.64378       0.9477994 19.16343       1.453869  18.25969       1.249914  1.004349       2.220393  
1 1 1 -17 13 53 o 75.72979 1.359167  57.75740       2.049848  60.03083       3.065895  55.91959       2.756562  2.629349       2.718335  
1 1 1 -17 13 54 o 54.90116 1.178764  30.43579       1.292053  29.83983       1.872574  30.97733       1.785044  -1.058994      2.357528  
1 1 1 -17 13 55 f 26.24410 1.329778  6.939906       0.6893664 7.124006       1.067632  6.808265       0.9027916 0.5522614      2.659555  
1 1 1 -17 13 56 o 8.535828 2.168073  -0.8108110E-01 0.5634533 1.539274       0.9336229 -1.009366      0.7066545 7.015168       4.336145  
1 1 1 -17 13 57 o 23.36919 2.084129  5.348327       0.9450619 6.832137       1.590727  4.538899       1.174886  4.693554       4.168258  
1 1 1 -17 13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 14 1  o 112.7622 1.767631  127.3317       3.984833  125.3965       5.542084  129.4028       5.733604  -1.769264      3.535263  
1 1 1 -17 14 2  o 95.71431 1.543522  91.57050       2.950858  94.91020       4.309495  88.62239       4.048966  3.276405       3.087045  
1 1 1 -17 14 3  o 214.4962 3.208694  462.7247       13.76410  460.0000       19.33047  465.5268       19.60314  -1.270889      6.417389  
1 1 1 -17 14 4  o 64.04085 1.169554  40.62605       1.488939  44.87661       2.262909  37.38093       1.977239  5.845772       2.339108  
1 1 1 -17 14 5  o 21.27607 1.204112  4.534606       0.5105524 4.584232       0.6954409 4.476593       0.7519225 0.2542553      2.408224  
1 1 1 -17 14 6  o 143.8224 2.196034  206.7560       6.301528  216.0023       9.309015  198.9354       8.561282  5.902374       4.392068  
1 1 1 -17 14 7  o 31.94752 0.5564308 10.09042       0.3534539 11.43846       0.5352093 9.047760       0.4707001 3.740934       1.112862  
1 1 1 -17 14 8  o 134.7224 1.444675  181.7028       3.892601  181.7803       5.506630  181.6253       5.503309  0.5744934E-01  2.889350  
1 1 1 -17 14 9  o 117.6133 1.275966  138.0699       2.994768  133.0875       4.075438  143.9183       4.415450  -4.596176      2.551931  
1 1 1 -17 14 10 o 107.9522 1.181551  116.5414       2.549566  119.0029       3.681305  114.2724       3.534439  2.187645       2.363102  
1 1 1 -17 14 11 o 136.9817 1.468089  187.2557       4.011199  180.0642       5.438593  195.8339       5.939881  -5.741577      2.936177  
1 1 1 -17 14 12 o 106.5360 1.169498  113.5364       2.490959  111.7654       3.466658  115.4268       3.581652  -1.715622      2.338996  
1 1 1 -17 14 13 o 56.37061 0.7228148 31.78598       0.8149031 31.60139       1.150494  31.97182       1.154410  -0.3285065     1.445630  
1 1 1 -17 14 14 o 15.83413 0.7953256 2.617189       0.2369797 1.617897       0.3371811 3.592644       0.3331354 -6.235802      1.590651  
1 1 1 -17 14 15 o 62.13983 0.7709964 38.30346       0.9527948 41.63493       1.443911  35.73404       1.268062  4.745041       1.541993  
1 1 1 -17 14 16 o 128.8811 1.389093  165.7934       3.571446  159.4867       4.847477  173.2816       5.282031  -5.337860      2.778187  
1 1 1 -17 14 17 o 162.5054 1.725811  263.7884       5.594407  253.9319       7.590004  275.5129       8.278074  -6.611710      3.451623  
1 1 1 -17 14 18 o 78.52911 0.9104593 61.70383       1.429921  61.81949       2.029631  61.58986       2.014877  0.1458664      1.820919  
1 1 1 -17 14 19 o 123.7146 1.339285  153.2602       3.313758  152.9274       4.675717  153.5961       4.697079  -0.2694473     2.678571  
1 1 1 -17 14 20 o 93.94680 1.054099  87.36401       1.963817  81.32317       2.582412  95.64806       3.024109  -7.610474      2.108199  
1 1 1 -17 14 21 o 106.9043 1.178027  114.0861       2.512794  119.1510       3.710074  109.7937       3.415437  4.365723       2.356055  
1 1 1 -17 14 22 o 116.7315 1.273444  135.6585       2.959058  128.6505       3.960372  144.5151       4.452144  -6.774841      2.546889  
1 1 1 -17 14 23 o 77.66726 0.9087444 60.00697       1.405465  64.14716       2.110316  56.70676       1.884118  4.782974       1.817489  
1 1 1 -17 14 24 o 189.1995 2.001569  359.0285       7.567504  351.2327       10.44803  367.6313       10.97558  -4.296722      4.003138  
1 1 1 -17 14 25 o 35.27441 0.6347895 12.38926       0.4462655 11.02972       0.6101999 13.95260       0.6543391 -4.141983      1.269579  
1 1 1 -17 14 26 o 105.8256 1.170237  112.1715       2.476753  111.6317       3.487070  112.7211       3.518457  -0.5131149     2.340473  
1 1 1 -17 14 27 o 49.70538 0.6994407 24.46270       0.6909968 27.06818       1.051368  22.48139       0.9168248 4.609749       1.398881  
1 1 1 -17 14 28 o 126.7850 1.376107  161.0845       3.488430  158.8257       4.864793  163.4754       5.004961  -1.824745      2.752213  
1 1 1 -17 14 29 o 60.07465 0.7717857 35.44885       0.9159071 40.39309       1.439336  32.08444       1.187317  6.905807       1.543571  
1 1 1 -17 14 30 o 68.07011 1.149567  46.29731       1.561483  48.23872       2.303132  44.64579       2.124240  2.628525       2.299134  
1 1 1 -17 14 31 o 80.37637 0.9455928 63.87494       1.506074  70.59212       2.329285  59.04922       1.974287  7.162422       1.891186  
1 1 1 -17 14 32 o 109.0543 1.208409  118.8956       2.630406  114.6138       3.586049  123.8824       3.870078  -4.230331      2.416819  
1 1 1 -17 14 33 o 11.67926 1.163468  1.335955       0.2682305 1.678195       0.4138466 1.088040       0.3522298 2.522182       2.326935  
1 1 1 -17 14 34 f 51.02769 0.7255985 25.93600       0.7386816 23.96596       1.004945  28.25141       1.089475  -4.194954      1.451197  
1 1 1 -17 14 35 o 42.62439 0.6871938 18.16732       0.5851891 17.00855       0.8148344 19.40156       0.8409479 -2.805824      1.374388  
1 1 1 -17 14 36 o 68.92311 1.028397  48.25576       1.367184  45.04483       2.211807  50.24122       1.739252  -3.804901      2.056795  
1 1 1 -17 14 37 o 64.45425 1.136367  41.66985       1.464635  41.51987       2.088151  41.81508       2.054862  -0.2321014     2.272733  
1 1 1 -17 14 38 o 59.09222 1.079212  34.87519       1.272765  32.71302       1.733639  37.40306       1.874529  -3.955212      2.158425  
1 1 1 -17 14 39 o 65.50819 1.155700  43.02390       1.512482  43.96544       2.200315  42.18050       2.082490  1.349365       2.311400  
1 1 1 -17 14 40 o 20.19267 2.076877  4.103287       0.8387538 4.103287       0.8387538 ?              ?         ?              ?         
1 1 1 -17 14 41 o 44.45546 0.7367892 19.80429       0.6545648 19.54960       0.9411786 20.04287       0.9109501 -0.5571899     1.473578  
1 1 1 -17 14 42 o 63.72854 0.8398046 40.70670       1.070255  39.84505       1.509398  41.57794       1.517774  -1.358772      1.679609  
1 1 1 -17 14 43 o 29.46958 0.7766514 8.685250       0.4553926 8.872290       0.6826547 8.535275       0.6112845 0.5649242      1.553303  
1 1 1 -17 14 44 o 29.73088 0.7875208 8.879408       0.4646520 8.695699       0.6981514 9.025489       0.6225601 -0.5625153     1.575042  
1 1 1 -17 14 45 o 8.316638 1.567825  0.6739578      0.3371277 -0.2092230     0.5173557 1.325755       0.4444478 -5.959260      3.135650  
1 1 1 -17 14 46 o 54.12417 0.8001776 29.37704       0.8658472 29.13434       1.238816  29.60884       1.210655  -0.4416084     1.600355  
1 1 1 -17 14 47 o 49.39071 0.7861167 24.47246       0.7760669 23.81681       1.106465  25.10733       1.088797  -1.308510      1.572233  
1 1 1 -17 14 48 o 14.57784 1.266389  2.071113       0.3613223 2.486416       0.5899941 1.821874       0.4570605 2.251281       2.532778  
1 1 1 -17 14 49 o 40.76653 0.7907498 16.71027       0.6430804 15.53227       0.9171785 17.84940       0.9019194 -2.844074      1.581500  
1 1 1 -17 14 50 o 22.21481 1.212079  4.961881       0.5379869 5.206785       0.7819447 4.741755       0.7413353 1.037891       2.424158  
1 1 1 -17 14 51 o 61.16776 1.207804  37.67006       1.473333  38.24257       2.174456  37.18414       2.003270  0.8255005      2.415608  
1 1 1 -17 14 52 o 22.99184 1.381547  5.241557       0.6224591 5.841667       1.005144  4.868253       0.7927644 2.057966       2.763094  
1 1 1 -17 14 53 o 20.65424 1.534995  4.095819       0.6167339 5.588805       1.018221  3.230703       0.7750885 5.625147       3.069990  
1 1 1 -17 14 54 o 30.64674 1.241053  9.007593       0.7385340 11.59512       1.240024  7.585216       0.9193800 6.453171       2.482106  
1 1 1 -17 14 55 o 19.62536 1.670364  3.866636       0.6375304 4.168783       1.046047  3.688079       0.8041380 1.128147       3.340729  
1 1 1 -17 14 56 o 10.89380 2.305305  1.293800       0.5790969 0.4946904      0.9657869 1.742391       0.7236077 -3.752542      4.610609  
1 1 1 -17 14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 15 1  o 82.81158 1.383002  68.60156       2.288684  67.04092       3.160436  70.32246       3.318740  -1.975761      2.766004  
1 1 1 -17 15 2  o 64.58131 1.182801  41.70810       1.526864  42.91956       2.205453  40.59296       2.115950  1.798683       2.365603  
1 1 1 -17 15 3  o 58.17277 1.118024  33.43878       1.290691  30.55491       1.700771  37.35500       1.981945  -5.837154      2.236048  
1 1 1 -17 15 4  o 89.40597 1.464302  80.03838       2.618130  80.87742       3.732112  79.22537       3.673766  0.9218750      2.928604  
1 1 1 -17 15 5  o 33.83097 1.011451  11.12821       0.6745902 9.320595       0.8731347 13.80513       1.062541  -6.623358      2.022902  
1 1 1 -17 15 6  o 164.5742 2.491003  271.8666       8.196720  268.4817       11.42906  275.4516       11.76193  -2.098221      4.982006  
1 1 1 -17 15 7  o 89.48178 1.004328  80.09991       1.796934  79.14656       2.508041  81.10548       2.575810  -1.093010      2.008655  
1 1 1 -17 15 8  o 152.3768 1.621374  232.5819       4.941059  231.6750       6.957022  233.5049       7.018811  -0.5981293     3.242748  
1 1 1 -17 15 9  o 40.58806 0.6075854 16.47649       0.4931673 16.57688       0.7031431 16.37929       0.6918809 0.2432404      1.215171  
1 1 1 -17 15 10 o 105.5874 1.160226  111.5688       2.449790  110.4976       3.431525  112.6822       3.498499  -1.032661      2.320452  
1 1 1 -17 15 11 o 67.47835 0.8116899 45.54443       1.095308  46.17514       1.563321  44.93631       1.535063  0.9173965      1.623380  
1 1 1 -17 15 12 o 169.5428 1.796485  287.2104       6.075986  276.5762       8.246398  299.8399       8.986745  -6.828186      3.592970  
1 1 1 -17 15 13 o 23.21703 0.6049871 5.409282       0.2793089 4.724018       0.3937278 6.103492       0.3962894 -2.970787      1.209974  
1 1 1 -17 15 14 o 65.80024 0.8698168 43.27240       1.129279  43.61526       1.749496  43.02753       1.478559  0.4404755      1.739634  
1 1 1 -17 15 15 o 140.1140 1.502145  196.3326       4.203660  190.7713       5.766439  202.6397       6.140966  -4.219971      3.004290  
1 1 1 -17 15 16 o 134.7930 1.449916  181.0134       3.891235  172.2423       5.215157  192.0291       5.844543  -7.313568      2.899832  
1 1 1 -17 15 17 o 63.60463 0.7854366 40.17332       0.9944280 37.49539       1.329665  43.57225       1.498004  -4.773071      1.570873  
1 1 1 -17 15 18 o 55.86497 0.7268899 31.21849       0.8119924 31.47136       1.161813  30.97703       1.135307  0.4418297      1.453780  
1 1 1 -17 15 19 o 67.06795 0.8161237 44.83522       1.091783  47.31353       1.617676  42.76199       1.479579  3.389526       1.632247  
1 1 1 -17 15 20 o 77.74399 0.9081538 60.46880       1.411731  59.62424       1.970482  61.35947       2.023555  -1.114372      1.816308  
1 1 1 -17 15 21 o 22.67430 0.6574374 5.175811       0.2958283 4.474005       0.4211390 5.859421       0.4156438 -3.055161      1.314875  
1 1 1 -17 15 22 o 79.78508 0.9264842 63.68903       1.477904  64.60896       2.122913  62.82390       2.058710  1.116493       1.852968  
1 1 1 -17 15 23 o 138.1387 1.486744  191.2946       4.107357  192.3293       5.841655  190.2829       5.776257  0.7367859      2.973487  
1 1 1 -17 15 24 o 74.09017 0.8806991 54.84483       1.303270  56.82375       1.903904  53.09996       1.787776  2.508545       1.761398  
1 1 1 -17 15 25 o 84.07843 0.9698245 70.59122       1.627523  73.57009       2.395471  68.03719       2.218081  3.282570       1.939649  
1 1 1 -17 15 26 o 59.04755 0.7648185 34.84419       0.9024684 33.72245       1.245699  36.08329       1.309236  -1.996845      1.529637  
1 1 1 -17 15 27 o 141.4669 1.523125  200.7390       4.308926  202.4893       6.150677  199.0520       6.038357  1.206573       3.046250  
1 1 1 -17 15 28 o 49.98373 0.9504889 24.41205       0.9379464 21.24103       1.214375  29.10089       1.476678  -7.849602      1.900978  
1 1 1 -17 15 29 o 94.92235 1.073731  90.08421       2.035280  93.29015       2.979646  87.28010       2.786676  3.154663       2.147462  
1 1 1 -17 15 30 o 54.05577 0.7384720 29.24218       0.7982966 28.67426       1.123299  29.82168       1.134711  -1.060863      1.476944  
1 1 1 -17 15 31 o 42.54945 0.6817266 18.09423       0.5795806 18.64930       0.8424488 17.59544       0.7986087 1.236637       1.363453  
1 1 1 -17 15 32 o 57.89238 0.7694074 33.46360       0.8890399 34.87857       1.308708  32.25102       1.211497  2.264458       1.538815  
1 1 1 -17 15 33 o 24.33576 0.8469764 5.755035       0.3871452 6.436817       0.6928815 5.445570       0.4668121 2.023233       1.693953  
1 1 1 -17 15 34 o 32.53539 0.8862428 10.56642       0.5736393 10.93567       0.8626681 10.27373       0.7680480 1.011356       1.772486  
1 1 1 -17 15 35 o 36.70148 0.9045963 13.12344       0.6530777 15.60373       1.045842  11.53807       0.8361389 5.524052       1.809193  
1 1 1 -17 15 36 o 17.13427 1.027742  2.937300       0.3507753 2.587336       0.4847912 3.321842       0.5081770 -2.141380      2.055484  
1 1 1 -17 15 37 o 76.41071 0.9232717 58.21694       1.406442  54.98468       1.898430  62.14919       2.093929  -4.671989      1.846543  
1 1 1 -17 15 38 o 29.69822 0.7245860 8.850046       0.4275422 8.676066       0.6391280 8.990953       0.5751863 -0.5347271     1.449172  
1 1 1 -17 15 39 o 35.77315 0.7187322 12.69897       0.5107194 13.79904       0.7793034 11.87083       0.6761610 2.687294       1.437464  
1 1 1 -17 15 40 o 39.57095 0.7246590 15.63132       0.5711187 16.23590       0.8537912 15.14172       0.7683207 1.375793       1.449318  
1 1 1 -17 15 41 o 46.38435 0.7458035 21.57875       0.6910915 20.79398       0.9884799 22.32915       0.9665899 -1.656757      1.491607  
1 1 1 -17 15 42 o 46.06364 0.7482209 21.23053       0.6880670 19.49620       0.9551120 23.10175       0.9920884 -3.910191      1.496442  
1 1 1 -17 15 43 o 40.11049 0.7394955 16.13820       0.5923008 15.78650       0.8564590 16.46062       0.8200092 -0.8439331     1.478991  
1 1 1 -17 15 44 o 31.71208 0.7615135 9.805449       0.4758931 11.80087       0.7555740 8.493350       0.6126939 5.199972       1.523027  
1 1 1 -17 15 45 o 55.57239 0.8045053 30.94041       0.8927938 31.39350       1.303199  30.53968       1.225575  0.7591248      1.609011  
1 1 1 -17 15 46 o 29.48068 0.8191621 8.709604       0.4795076 8.766652       0.7239131 8.665008       0.6400557 0.1621437      1.638324  
1 1 1 -17 15 47 o 15.45795 1.233254  2.415113       0.3715325 2.367854       0.5933241 2.445596       0.4765242 -0.2752695     2.466508  
1 1 1 -17 15 48 o 22.82305 0.9450639 5.064079       0.4233067 6.140954       0.6841938 4.396228       0.5388105 3.798035       1.890128  
1 1 1 -17 15 49 o 56.77183 0.9826363 31.84374       1.065467  30.62839       1.312010  34.19758       1.825882  -3.053974      1.965273  
1 1 1 -17 15 50 o 10.05423 2.134174  1.038537       0.4607289 1.142449       0.6955915 0.9573160      0.6149697 0.8332205      4.268348  
1 1 1 -17 15 51 o 14.32053 1.956810  2.293884       0.5252648 1.532392       0.8315555 2.799437       0.6775502 -4.627185      3.913619  
1 1 1 -17 15 52 o 37.65822 1.119294  14.23187       0.8325763 14.67737       1.291085  13.91472       1.089337  0.9624062      2.238588  
1 1 1 -17 15 53 o 17.86334 1.682351  3.124757       0.5796980 3.711742       0.9871284 2.815758       0.7162066 2.406660       3.364703  
1 1 1 -17 15 54 o 45.44758 1.144316  20.90591       1.032001  20.22947       1.545191  21.45063       1.386597  -1.386311      2.288632  
1 1 1 -17 15 55 o 29.91256 1.278312  9.104417       0.7527546 8.729020       1.158724  9.378534       0.9901527 -1.139341      2.556624  
1 1 1 -17 15 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 16 1  o 91.42641 1.497575  83.75495       2.738296  84.39200       3.887712  83.12775       3.857535  0.6899414      2.995149  
1 1 1 -17 16 2  o 71.10974 1.253580  50.62728       1.782668  51.43454       2.541287  49.84521       2.501333  1.115944       2.507159  
1 1 1 -17 16 3  o 66.03595 1.198505  43.61496       1.582000  45.15431       2.283825  42.19499       2.193479  2.237343       2.397009  
1 1 1 -17 16 4  o 31.11847 1.034616  9.533523       0.6386108 8.299357       0.8432152 11.19362       0.9779546 -4.646172      2.069231  
1 1 1 -17 16 5  o 102.4606 1.635357  105.2069       3.350975  106.2799       4.772353  104.1634       4.706326  1.029602       3.270714  
1 1 1 -17 16 6  o 26.35851 0.5202317 6.915112       0.2735712 7.551541       0.4031741 6.372047       0.3724285 2.236929       1.040463  
1 1 1 -17 16 7  o 105.2236 1.448821  109.0675       2.785369  106.4792       3.302749  115.4424       5.183366  -4.180008      2.897643  
1 1 1 -17 16 8  o 32.45367 1.016323  10.49353       0.6572164 11.86083       0.9626576 9.299885       0.8994476 3.943645       2.032646  
1 1 1 -17 16 9  f 68.05203 1.215903  45.60061       1.638154  51.83390       2.547835  41.20784       2.138861  7.792488       2.431805  
1 1 1 -17 16 10 o 73.30716 1.273765  53.75629       1.866294  55.37049       2.699935  52.27929       2.582646  2.103889       2.547530  
1 1 1 -17 16 11 f 81.47885 1.155053  67.80207       1.816852  60.90718       2.898754  72.26317       2.331676  -6.988411      2.310105  
1 1 1 -17 16 12 o 24.59342 0.5964147 6.076490       0.2920771 5.563284       0.4198773 6.557666       0.4065632 -2.021889      1.192829  
1 1 1 -17 16 13 o 43.81442 0.6426463 18.15739       0.5457647 23.77303       0.9214241 15.12259       0.6773682 9.866650       1.285293  
1 1 1 -17 16 14 o 138.8974 1.949793  192.2634       5.246760  188.3430       6.610039  198.9401       8.626194  -3.686844      3.899586  
1 1 1 -17 16 15 o 88.86935 1.007558  79.03715       1.790528  78.22270       2.505117  79.88779       2.560157  -0.9349670     2.015116  
1 1 1 -17 16 16 o 118.2384 1.288374  139.4235       3.036145  133.2560       4.093940  146.9616       4.526014  -5.776962      2.576749  
1 1 1 -17 16 17 o 60.43454 0.7614034 36.52909       0.9200007 37.09415       1.321554  35.99774       1.281524  0.9060593      1.522807  
1 1 1 -17 16 18 f 47.96374 0.6784458 22.71152       0.6461697 20.47341       0.8541063 25.70703       0.9881147 -5.452576      1.356892  
1 1 1 -17 16 19 o 61.80664 0.7742031 38.13561       0.9556654 36.59532       1.309586  39.89026       1.397748  -2.662952      1.548406  
1 1 1 -17 16 20 o 27.00957 0.6327111 7.156735       0.3384367 8.570501       0.5215861 6.128677       0.4447806 4.518314       1.265422  
1 1 1 -17 16 21 o 28.54940 0.6235282 8.142973       0.3552352 8.320897       0.5224038 7.989935       0.4844924 0.5786037      1.247056  
1 1 1 -17 16 22 o 25.93921 0.6524643 6.761424       0.3369188 6.116389       0.4821025 7.377197       0.4710402 -2.430634      1.304929  
1 1 1 -17 16 23 o 41.65071 0.6509169 17.20264       0.5393969 18.89155       0.8153258 15.88810       0.7193096 3.602657       1.301834  
1 1 1 -17 16 24 o 102.9116 1.145366  106.0937       2.357426  105.9102       3.332237  106.2776       3.335573  -0.1782990     2.290732  
1 1 1 -17 16 25 o 88.40884 1.287661  78.65627       2.252854  76.04922       3.412896  80.66945       2.999096  -2.639259      2.575321  
1 1 1 -17 16 26 o 12.26757 1.025026  1.491158       0.2494474 1.630287       0.3834344 1.389066       0.3284562 0.9802351      2.050052  
1 1 1 -17 16 27 o 86.25415 0.9939324 74.20143       1.709151  78.22733       2.542614  70.88271       2.308518  4.245018       1.987865  
1 1 1 -17 16 28 o 15.86433 0.8789176 2.426703       0.2720223 3.352925       0.4293102 1.805398       0.3516139 4.873639       1.757835  
1 1 1 -17 16 29 o 32.84958 0.7763010 10.95003       0.4868256 10.28943       0.8081580 11.32627       0.6099023 -1.587017      1.552602  
1 1 1 -17 16 30 o 24.31020 0.9027072 5.722492       0.4313047 7.097773       0.6914453 4.846563       0.5518187 4.622053       1.805414  
1 1 1 -17 16 31 o 38.05015 0.8959044 14.28933       0.6753598 11.88365       0.9007197 17.37859       1.020698  -7.213169      1.791809  
1 1 1 -17 16 32 o 50.29515 0.9721634 25.20572       0.9731327 26.68112       1.464844  24.04021       1.301948  2.614326       1.944327  
1 1 1 -17 16 33 o 73.56747 1.073855  53.80283       1.493823  52.89473       1.827539  55.63107       2.593099  -1.798912      2.147709  
1 1 1 -17 16 34 o 35.37306 0.6911162 12.40025       0.4861737 13.74826       0.7369298 11.36139       0.6469346 3.368759       1.382232  
1 1 1 -17 16 35 o 52.29931 0.7491545 27.23640       0.7813949 25.17466       1.059218  29.69815       1.157419  -4.318256      1.498309  
1 1 1 -17 16 36 o 74.50627 0.9055224 55.57820       1.348636  53.90000       1.870937  57.39335       1.945783  -2.337959      1.811045  
1 1 1 -17 16 37 o 37.36390 0.7076300 13.99881       0.5280755 13.28256       0.7515839 14.69715       0.7421291 -1.893677      1.415260  
1 1 1 -17 16 38 o 46.45935 0.7324380 21.53267       0.6784243 22.66838       1.008891  20.59522       0.9166079 2.223999       1.464876  
1 1 1 -17 16 39 o 26.28903 1.207527  6.977711       0.6306325 6.588995       0.9317509 7.306306       0.8566704 -1.374416      2.415053  
1 1 1 -17 16 40 o 39.46324 0.7264118 15.46256       0.5692776 16.73259       0.8695303 14.50983       0.7531195 2.806099       1.452824  
1 1 1 -17 16 41 o 67.23041 0.8674726 45.29671       1.166053  43.87920       1.628068  46.78972       1.670861  -2.159813      1.734945  
1 1 1 -17 16 42 o 34.89586 0.7440672 12.25604       0.5166553 11.54151       0.7558525 12.88266       0.7078311 -1.926449      1.488134  
1 1 1 -17 16 43 f 24.34265 0.8795072 6.055648       0.4176360 4.568250       0.5951735 7.498446       0.5861821 -6.019718      1.759014  
1 1 1 -17 16 44 o 61.11291 0.8381760 37.45798       1.024101  37.38884       1.467313  37.52365       1.430004  -0.1148643     1.676352  
1 1 1 -17 16 45 o 37.63937 0.7633120 14.21254       0.5726060 12.71073       0.8016569 15.77686       0.8181701 -4.071140      1.526624  
1 1 1 -17 16 46 o 44.67904 0.7684315 20.02988       0.6855971 19.79973       0.9944533 20.23837       0.9464858 -0.4970894     1.536863  
1 1 1 -17 16 47 o 22.88839 0.9684334 5.380339       0.4334294 4.436340       0.6445193 6.159707       0.5856277 -3.774580      1.936867  
1 1 1 -17 16 48 o 24.95451 1.027498  6.224063       0.5106547 5.885977       0.6850963 6.646725       0.7660086 -1.509399      2.054996  
1 1 1 -17 16 49 o 34.76624 0.9926944 12.14865       0.6898810 12.06215       0.9586881 12.24156       0.9935224 -0.2513657     1.985389  
1 1 1 -17 16 50 o 64.50587 1.227460  41.97541       1.582801  40.40925       2.235242  43.55052       2.241609  -2.433300      2.454920  
1 1 1 -17 16 51 o 14.72274 1.877049  2.112462       0.5272545 3.061154       0.8704938 1.562745       0.6626328 5.204103       3.754097  
1 1 1 -17 16 52 o 23.04250 1.370322  5.327292       0.6204777 5.607607       0.9834405 5.141916       0.7997459 0.9548416      2.740644  
1 1 1 -17 16 53 o 16.61565 1.925367  2.917171       0.5885701 2.728102       0.9913518 3.020094       0.7314309 -1.267686      3.850734  
1 1 1 -17 16 54 o 16.01840 1.959490  2.487654       0.5945796 3.660020       0.9987196 1.843997       0.7400126 5.759237       3.918980  
1 1 1 -17 16 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 17 1  o 68.92358 1.232841  47.50778       1.698038  49.40354       2.462982  45.79046       2.344196  2.615685       2.465683  
1 1 1 -17 17 2  o 67.62257 1.220770  45.79632       1.650885  45.74361       2.318680  45.85051       2.351066  -0.7762909E-01 2.441540  
1 1 1 -17 17 3  f 42.66740 1.024786  18.11327       0.8717542 20.08801       1.289435  16.45078       1.183109  4.258495       2.049572  
1 1 1 -17 17 4  o 33.33450 1.021850  11.10606       0.6807181 10.66516       0.9405786 11.59099       0.9864179 -1.387077      2.043700  
1 1 1 -17 17 5  o 39.94708 1.015090  15.86863       0.8078344 17.94422       1.194232  14.11768       1.096869  4.786114       2.030180  
1 1 1 -17 17 6  o 84.70895 0.9634492 71.66823       1.629828  74.51971       2.385382  69.17145       2.232095  3.151787       1.926898  
1 1 1 -17 17 7  o 70.94377 0.8390656 50.36234       1.190464  50.16890       1.673519  50.56049       1.693805  -0.2754135     1.678131  
1 1 1 -17 17 8  o 26.68303 0.5567508 7.048810       0.2949636 5.975467       0.3971623 8.369023       0.4404748 -4.484343      1.113502  
1 1 1 -17 17 9  o 103.1941 1.138472  106.5349       2.348178  109.0262       3.394837  104.2495       3.251454  2.308815       2.276944  
1 1 1 -17 17 10 o 86.59015 0.9842333 74.88847       1.701713  72.39465       2.327542  77.75234       2.494270  -3.088036      1.968467  
1 1 1 -17 17 11 o 97.94873 1.090621  95.70650       2.130462  100.4710       3.159334  91.73309       2.885156  4.449989       2.181242  
1 1 1 -17 17 12 o 95.70380 1.339898  91.18166       2.373688  90.25241       2.852132  93.27575       4.281544  -1.512619      2.679796  
1 1 1 -17 17 13 o 33.85017 0.8812141 11.07268       0.5556767 10.43984       0.6645394 12.54372       1.013176  -3.096489      1.762428  
1 1 1 -17 17 14 o 82.04068 1.382638  66.95917       2.257512  72.24126       3.404279  62.81309       3.016066  5.725700       2.765276  
1 1 1 -17 17 15 o 65.15820 1.193994  42.36337       1.552106  40.35443       2.106339  44.75019       2.295913  -3.364159      2.387987  
1 1 1 -17 17 16 o 9.334244 2.033117  0.8696068      0.4178824 0.9822546      0.5981841 0.7622305      0.5840203 0.9399185      4.066233  
1 1 1 -17 17 17 o 20.82301 0.9803068 4.270050       0.3374924 4.467897       0.7296401 4.216199       0.3806613 0.5900898      1.960614  
1 1 1 -17 17 18 o 123.1976 1.658765  152.0335       3.830458  153.0743       6.721503  151.5329       4.661471  0.4758072      3.317530  
1 1 1 -17 17 19 o 18.67845 0.7722118 3.606135       0.2708897 2.165133       0.3776863 5.132756       0.3887448 -7.943614      1.544424  
1 1 1 -17 17 20 o 50.48937 0.6969470 25.47088       0.7030043 26.26951       1.023476  24.75752       0.9672976 1.495522       1.393894  
1 1 1 -17 17 21 o 90.28783 1.026446  81.58456       1.852663  83.20257       2.669394  80.08086       2.573367  1.724075       2.052892  
1 1 1 -17 17 22 o 45.75603 0.6882293 20.88656       0.6284977 21.90128       0.9259855 20.01981       0.8558160 2.053600       1.376459  
1 1 1 -17 17 23 o 102.1413 1.586295  104.7106       3.240507  104.5092       4.587474  104.9112       4.578076  -0.1975784     3.172590  
1 1 1 -17 17 24 o 30.72878 0.6475483 9.468722       0.3970984 8.888327       0.5674167 10.02584       0.5559234 -1.851297      1.295097  
1 1 1 -17 17 25 o 154.6988 1.658581  240.3283       5.131568  239.6005       7.239190  241.0634       7.275210  -0.4695587     3.317163  
1 1 1 -17 17 26 o 19.14859 0.8797839 3.623704       0.3191807 3.818032       0.5542740 3.527294       0.3904099 0.7511272      1.759568  
1 1 1 -17 17 27 f 66.40871 1.126674  44.16865       1.495227  44.84285       2.164749  43.55354       2.067725  0.9642181      2.253347  
1 1 1 -17 17 28 o 32.51127 0.8572993 9.929406       0.5394146 13.57110       0.9117389 7.968243       0.6690765 8.603127       1.714599  
1 1 1 -17 17 29 o 176.3534 2.437754  313.8147       8.400156  310.6977       10.76359  318.6708       13.43484  -1.806519      4.875508  
1 1 1 -17 17 30 o 24.24868 0.7407096 5.934150       0.3539217 4.733677       0.4974952 7.164279       0.5036026 -5.011509      1.481419  
1 1 1 -17 17 31 o 52.09898 0.7324480 27.16411       0.7628031 27.45427       1.098940  26.89431       1.059665  0.5352631      1.464896  
1 1 1 -17 17 32 o 25.51048 0.7516736 6.611412       0.3753244 5.057799       0.5313274 8.158743       0.5302521 -6.077848      1.503347  
1 1 1 -17 17 33 o 97.03162 1.103334  94.31349       2.139059  96.88421       3.109061  92.00289       2.947568  2.500130       2.206667  
1 1 1 -17 17 34 f 18.50896 0.8848760 3.454816       0.3237443 3.273631       0.4895886 3.595602       0.4315677 -0.8744392     1.769752  
1 1 1 -17 17 35 o 53.13262 0.7516856 28.02173       0.7940688 30.58794       1.205547  26.05513       1.055347  4.254227       1.503371  
1 1 1 -17 17 36 o 42.06603 0.7154958 17.73983       0.6013421 17.17907       0.8609283 18.27405       0.8402994 -1.303043      1.430992  
1 1 1 -17 17 37 o 51.44292 0.7583290 26.40342       0.7782187 27.98622       1.152042  25.07496       1.055428  2.821629       1.516658  
1 1 1 -17 17 38 o 83.14930 0.9871974 69.35587       1.641649  68.67323       2.312880  70.04893       2.330506  -0.8252258     1.974395  
1 1 1 -17 17 39 o 48.48137 0.7546728 23.29652       0.7264207 25.63340       1.112118  21.55755       0.9593552 4.189240       1.509346  
1 1 1 -17 17 40 o 86.81415 1.026590  75.61631       1.781826  73.91693       2.480068  77.42937       2.561678  -2.011932      2.053180  
1 1 1 -17 17 41 o 62.97491 0.8411415 39.45940       1.053291  42.53921       1.596822  37.08730       1.401396  4.306271       1.682283  
1 1 1 -17 17 42 o 57.38699 0.8102890 32.97845       0.9292917 31.27915       1.290859  34.80657       1.338890  -3.067848      1.620578  
1 1 1 -17 17 43 o 32.93959 0.7646074 10.91835       0.5003752 10.47075       0.7430720 11.28970       0.6768323 -1.250504      1.529215  
1 1 1 -17 17 44 o 31.02472 0.7971612 9.659998       0.4905378 9.591199       0.7416435 9.713502       0.6540366 -0.2079506     1.594322  
1 1 1 -17 17 45 f 96.34879 1.124074  93.40371       2.166030  92.89943       3.065181  93.90671       3.061281  -0.5234833     2.248148  
1 1 1 -17 17 46 o 50.82668 0.7944713 25.91718       0.8071427 24.78558       1.136426  27.06910       1.146586  -2.244961      1.588943  
1 1 1 -17 17 47 o 43.60455 0.9158976 18.80287       0.7775860 17.88783       0.9818299 20.34249       1.273579  -2.766567      1.831795  
1 1 1 -17 17 48 o 37.58200 1.098781  14.35783       0.8148918 13.20377       1.227165  15.26811       1.089874  -2.775543      2.197562  
1 1 1 -17 17 49 o 62.22213 1.205480  39.04771       1.497891  38.82535       2.175396  39.24819       2.065545  -0.3664513     2.410959  
1 1 1 -17 17 50 o 38.32694 1.104727  14.93810       0.8387311 13.40940       1.230853  16.26325       1.145979  -3.743816      2.209453  
1 1 1 -17 17 51 o 20.10659 1.537370  4.244020       0.5915920 3.520961       0.9355898 4.725716       0.7636328 -3.053003      3.074740  
1 1 1 -17 17 52 f 12.04829 2.298028  1.500007       0.5477764 1.771363       0.9242745 1.353094       0.6800823 1.570431       4.596057  
1 1 1 -17 17 53 o 13.59973 2.192945  1.810688       0.5717203 2.787956       0.9723926 1.294376       0.7067912 5.145426       4.385891  
1 1 1 -17 17 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 18 1  o 76.21599 1.320412  58.15057       2.010917  56.71614       2.773723  59.73985       2.919615  -1.974945      2.640824  
1 1 1 -17 18 2  o 34.53261 1.046722  11.91885       0.7222081 11.40703       0.9951475 12.48838       1.049752  -1.563133      2.093443  
1 1 1 -17 18 3  o 54.44441 1.101903  29.67079       1.199453  30.73221       1.717559  28.66038       1.675778  1.900658       2.203806  
1 1 1 -17 18 4  o 94.14539 1.536119  88.58871       2.884536  84.98283       3.909757  92.89594       4.273117  -4.177910      3.072238  
1 1 1 -17 18 5  o 11.62528 0.6094293 1.327851       0.1365956 1.265672       0.1699335 1.441382       0.2296206 -0.7541313     1.218859  
1 1 1 -17 18 6  o 72.38428 0.8530288 52.40151       1.234270  53.64941       1.781020  51.24836       1.712065  1.655968       1.706058  
1 1 1 -17 18 7  o 109.0526 1.197052  118.9669       2.608081  122.6486       3.795346  115.6729       3.589983  3.187607       2.394104  
1 1 1 -17 18 8  o 35.86583 0.5882956 12.72515       0.4192996 14.17454       0.6385867 11.62669       0.5559278 3.549797       1.176591  
1 1 1 -17 18 9  o 47.08537 0.6557424 22.16475       0.6172020 22.71056       0.8904130 21.65995       0.8562973 1.114662       1.311485  
1 1 1 -17 18 10 o 108.6525 1.195564  118.2576       2.597897  118.9139       3.695580  117.6163       3.652757  0.5948868      2.391128  
1 1 1 -17 18 11 f 82.86872 0.9525913 68.61414       1.576524  66.34891       2.160303  71.19499       2.305896  -2.917786      1.905183  
1 1 1 -17 18 12 o 13.56312 0.7982982 1.932580       0.2056772 1.325425       0.3046589 2.441044       0.2788009 -4.113574      1.596596  
1 1 1 -17 18 13 o 101.6013 1.227672  103.5413       2.469545  104.2529       3.274769  102.6031       3.760283  0.8386612      2.455343  
1 1 1 -17 18 14 o 68.26072 0.8308483 46.63618       1.134279  46.51981       1.600782  46.75353       1.607465  -0.1709442     1.661697  
1 1 1 -17 18 15 o 65.09084 0.8059937 42.15451       1.045086  45.13980       1.565353  39.75374       1.403765  4.131351       1.611987  
1 1 1 -17 18 16 o 60.00831 0.7654646 36.02502       0.9185107 35.35922       1.283912  36.72300       1.314571  -1.135231      1.530929  
1 1 1 -17 18 17 o 40.48273 0.6466304 16.32960       0.5224543 15.23515       0.7124107 17.60317       0.7684969 -2.922993      1.293261  
1 1 1 -17 18 18 o 87.91263 1.008866  76.80196       1.763861  72.13759       2.348387  82.83920       2.671729  -6.070457      2.017731  
1 1 1 -17 18 19 f 95.76646 2.120521  92.00798       4.061496  92.00798       4.061496  ?              ?         ?              ?         
1 1 1 -17 18 20 o 207.8651 2.866494  437.2609       11.66053  436.9904       15.01942  437.6712       18.50039  0.3553925      5.732988  
1 1 1 -17 18 21 o 70.10480 1.263884  49.20580       1.770867  50.89465       2.563185  47.66351       2.449452  2.296806       2.527769  
1 1 1 -17 18 22 o 126.1044 2.791987  0.000000       0.000000  ?              ?         159.9798       7.041638  ?              ?         
1 1 1 -17 18 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 18 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 18 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 18 26 o 19.87241 1.118444  3.630765       0.4068647 4.789678       0.7865025 3.207310       0.4754209 3.957428       2.236888  
1 1 1 -17 18 27 o 18.15774 1.169506  3.085939       0.3486409 3.699553       0.7848093 2.935071       0.3891474 2.073345       2.339013  
1 1 1 -17 18 28 o 32.68700 0.6717831 10.68384       0.4379170 10.82476       0.6460503 10.56405       0.5956337 0.3964081      1.343566  
1 1 1 -17 18 29 o 32.10982 0.6755565 10.24968       0.4315315 10.98408       0.6521208 9.677567       0.5755767 2.030529       1.351113  
1 1 1 -17 18 30 o 60.63358 0.7920913 36.80613       0.9600993 37.17353       1.381872  36.46327       1.334916  0.5826683      1.584183  
1 1 1 -17 18 31 o 35.60808 0.6813427 12.70604       0.4842159 12.48374       0.7044681 12.90512       0.6666642 -0.5938988     1.362685  
1 1 1 -17 18 32 o 40.93982 0.6970615 16.63276       0.5674851 18.15945       0.8606212 15.45832       0.7548342 3.292179       1.394123  
1 1 1 -17 18 33 f 76.01292 0.9182020 57.82656       1.394201  59.65769       2.033142  56.20119       1.915509  2.262894       1.836404  
1 1 1 -17 18 34 f 65.58908 0.8420500 42.92267       1.101109  45.38586       1.637933  40.89159       1.487342  3.412834       1.684100  
1 1 1 -17 18 35 o 43.86917 0.7141315 19.17434       0.6240298 20.35161       0.9346279 18.22737       0.8382418 2.413719       1.428263  
1 1 1 -17 18 36 o 14.04628 1.119682  1.879776       0.3052386 2.681232       0.4944474 1.386265       0.3879977 4.596173       2.239365  
1 1 1 -17 18 37 o 27.30187 0.7579549 7.507682       0.4114956 6.988805       0.6015201 7.964107       0.5641603 -1.789551      1.515910  
1 1 1 -17 18 38 o 40.69029 1.122637  16.39434       0.9070338 19.02242       1.381613  14.40368       1.202448  5.649612       2.245275  
1 1 1 -17 18 39 o 16.35494 1.043918  2.576445       0.3335403 3.514199       0.5318767 1.968650       0.4281987 4.710521       2.087836  
1 1 1 -17 18 40 o 51.12202 0.7664750 25.94306       0.7785939 28.36711       1.186259  24.10851       1.031986  4.148842       1.532950  
1 1 1 -17 18 41 o 48.57693 0.7621022 23.65685       0.7397162 22.33711       1.040131  25.00741       1.052206  -2.747192      1.524204  
1 1 1 -17 18 42 o 48.50738 0.7703304 23.58854       0.7465560 23.57980       1.080595  23.59653       1.032617  -0.2271271E-01 1.540661  
1 1 1 -17 18 43 o 32.07096 0.7772018 10.21042       0.4931564 10.99644       0.7658389 9.653596       0.6445870 2.078249       1.554404  
1 1 1 -17 18 44 o 42.82394 0.7736247 18.41823       0.6616618 17.50884       0.9432189 19.29931       0.9284188 -2.092506      1.547249  
1 1 1 -17 18 45 o 25.29478 0.8716512 6.436058       0.4361196 6.328532       0.6650636 6.517179       0.5776628 -0.3863010     1.743302  
1 1 1 -17 18 46 o 28.17006 0.9708159 8.052488       0.5414280 9.041397       0.7495427 6.973495       0.7829382 3.676287       1.941632  
1 1 1 -17 18 47 f 13.14323 1.905413  1.513889       0.5016779 3.271136       0.8667149 0.6284992      0.6152155 9.595023       3.810826  
1 1 1 -17 18 48 o 58.33205 1.159965  34.28713       1.349742  34.35842       1.982317  34.22551       1.842942  0.8078384E-01  2.319931  
1 1 1 -17 18 49 o 14.61059 1.821220  2.078723       0.5050949 2.758263       0.8623806 1.723889       0.6231668 3.639392       3.642441  
1 1 1 -17 18 50 o 47.44764 1.127869  22.77861       1.066216  21.04427       1.532644  24.40513       1.484235  -3.553841      2.255737  
1 1 1 -17 18 51 f 29.64150 1.217838  8.785348       0.7063479 9.297926       1.135558  8.461860       0.9021092 1.342234       2.435677  
1 1 1 -17 18 52 o 16.56032 1.846264  2.610168       0.5740080 3.793385       1.001590  2.031493       0.7004473 5.375640       3.692528  
1 1 1 -17 18 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 19 1  o 20.72558 1.751172  3.950243       0.6502669 3.551845       0.7503047 5.152589       1.303451  -3.812363      3.502344  
1 1 1 -17 19 2  f 127.6140 1.993430  163.7205       5.086648  166.1075       7.288052  161.4534       7.102741  1.804993       3.986860  
1 1 1 -17 19 3  o 17.69344 1.475847  3.175387       0.5163839 3.537441       0.7089714 2.766288       0.7536269 2.182442       2.951694  
1 1 1 -17 19 4  o 21.59675 1.274518  4.669360       0.5480705 5.295645       0.7914701 4.092368       0.7596844 2.783806       2.549035  
1 1 1 -17 19 5  o 91.32870 1.031643  83.24534       1.879904  87.56599       2.777464  79.59259       2.553773  4.353981       2.063286  
1 1 1 -17 19 6  o 29.83906 0.5557448 8.887140       0.3312720 8.382525       0.4565253 9.448351       0.4814461 -1.785286      1.111490  
1 1 1 -17 19 7  o 114.7392 1.255154  131.9025       2.879794  133.5713       4.120135  130.3086       4.026759  1.416122       2.510309  
1 1 1 -17 19 8  o 72.15633 0.8573368 51.92812       1.234101  54.69768       1.826212  49.60035       1.674240  3.525826       1.714674  
1 1 1 -17 19 9  o 27.87321 0.5693172 7.772578       0.3173501 7.775905       0.4516225 7.769334       0.4460312 0.1163292E-01  1.138634  
1 1 1 -17 19 10 o 44.16840 0.6478841 19.24113       0.5678310 21.85143       0.8720504 17.31975       0.7481763 5.126076       1.295768  
1 1 1 -17 19 11 o 84.70055 0.9782841 71.69835       1.654518  69.54730       2.263664  74.16546       2.424266  -2.718399      1.956568  
1 1 1 -17 19 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 19 13 o 73.84944 1.189958  54.64689       1.757452  54.76714       2.500188  54.52944       2.470896  0.1591721      2.379916  
1 1 1 -17 19 14 o 27.35643 0.7474154 7.334914       0.4044961 8.640191       0.6304508 6.421659       0.5273462 4.050884       1.494831  
1 1 1 -17 19 15 o 92.82580 1.052811  86.11321       1.951289  89.54678       2.861579  83.12918       2.667691  3.446091       2.105621  
1 1 1 -17 19 16 o 62.07078 0.7846094 38.53761       0.9736409 37.65912       1.353820  39.47877       1.401278  -1.463791      1.569219  
1 1 1 -17 19 17 o 93.53145 1.059569  87.51007       1.980044  85.08857       2.726683  90.21158       2.880017  -2.729881      2.119137  
1 1 1 -17 19 18 o 63.00784 0.7971735 39.66148       1.003378  38.19447       1.378592  41.31399       1.463163  -2.471809      1.594347  
1 1 1 -17 19 19 o 111.7211 1.508312  123.6726       3.138140  129.6141       5.628749  120.9929       3.780146  3.704926       3.016624  
1 1 1 -17 19 20 f 114.5081 1.758490  131.6313       4.023832  128.3244       5.554126  135.2843       5.837563  -3.010323      3.516979  
1 1 1 -17 19 21 o 101.6676 1.580667  103.7273       3.212466  101.4695       4.458442  106.1652       4.632798  -2.292709      3.161334  
1 1 1 -17 19 22 o 99.67807 1.555379  99.79033       3.100473  100.1509       4.417437  99.44021       4.352740  0.3500290      3.110759  
1 1 1 -17 19 23 o 46.42045 0.7288325 21.59676       0.6753134 22.03992       0.9319211 21.10673       0.9799636 1.007557       1.457665  
1 1 1 -17 19 24 o 53.00870 0.7340984 27.76887       0.7721077 31.00513       1.186757  25.39360       1.016710  5.284245       1.468197  
1 1 1 -17 19 25 f 66.68770 0.8340076 44.52228       1.112149  45.09910       1.591755  43.97212       1.554539  0.8427887      1.668015  
1 1 1 -17 19 26 o 95.80594 1.088657  91.35840       2.074638  98.09158       3.137955  86.12977       2.765227  6.213005       2.177314  
1 1 1 -17 19 27 o 52.48053 0.7399160 27.56302       0.7761808 27.93516       1.119722  27.21879       1.076901  0.6799965      1.479832  
1 1 1 -17 19 28 o 53.59264 0.7462981 28.26629       0.7913660 32.15834       1.234394  25.55039       1.031149  6.152340       1.492596  
1 1 1 -17 19 29 o 26.06293 0.9881881 7.097077       0.4704975 7.587530       0.5720801 6.071936       0.8270849 2.928585       1.976376  
1 1 1 -17 19 30 o 70.50106 1.113567  48.13464       1.410483  46.07281       1.646736  53.81381       2.733001  -5.379303      2.227135  
1 1 1 -17 19 31 o 57.65381 0.9852531 33.85984       1.076355  35.07632       1.338027  31.62908       1.811921  3.035561       1.970506  
1 1 1 -17 19 32 o 56.39805 1.051976  31.47412       1.141359  30.37504       1.419157  33.48700       1.920545  -2.704082      2.103952  
1 1 1 -17 19 33 o 42.46104 1.086671  18.00563       0.9204695 16.48334       1.254735  19.77950       1.354458  -3.869793      2.173342  
1 1 1 -17 19 34 o 60.21443 1.189611  36.37457       1.431563  35.20529       1.978268  37.66002       2.074209  -2.025383      2.379223  
1 1 1 -17 19 35 o 13.80206 1.949046  2.012924       0.5229873 1.587022       0.7714232 2.375171       0.7114438 -3.079694      3.898093  
1 1 1 -17 19 36 o 38.13814 1.115539  14.60559       0.8503106 14.72962       1.227640  14.49121       1.178883  0.3056526      2.231077  
1 1 1 -17 19 37 o 21.82711 1.422296  4.865396       0.6120792 4.075036       0.8868263 5.584403       0.8458483 -3.465233      2.844591  
1 1 1 -17 19 38 o 17.31784 1.633187  3.017075       0.5636789 3.177901       0.8404579 2.885590       0.7599350 0.8260117      3.266374  
1 1 1 -17 19 39 f 32.01391 1.171325  10.31851       0.7490042 9.838869       1.067802  10.78308       1.050904  -1.477514      2.342650  
1 1 1 -17 19 40 o 36.96553 1.161786  13.63830       0.8554636 14.93919       1.281573  12.59283       1.148889  3.151123       2.323573  
1 1 1 -17 19 41 o 15.77711 1.761977  2.482359       0.5495912 2.788594       0.8599229 2.270895       0.7145811 1.601027       3.523955  
1 1 1 -17 19 42 o 42.10940 1.140274  17.70916       0.9556008 19.17550       1.441332  16.55906       1.276482  3.074673       2.280548  
1 1 1 -17 19 43 o 50.24947 1.180738  25.43788       1.186024  24.86396       1.691255  25.99323       1.663668  -1.129402      2.361475  
1 1 1 -17 19 44 o 30.65537 1.932151  9.994333       1.020002  10.45751       1.191056  8.720179       1.975456  3.088682       3.864301  
1 1 1 -17 19 45 o 18.45446 4.052540  3.683181       1.455068  3.683181       1.455068  ?              ?         ?              ?         
1 1 1 -17 19 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 19 47 o 57.84432 2.404493  34.04405       2.781725  34.04405       2.781725  ?              ?         ?              ?         
1 1 1 -17 19 48 o 34.99428 2.357951  12.45903       1.650296  12.45903       1.650296  ?              ?         ?              ?         
1 1 1 -17 19 49 o 29.56382 1.856053  8.837092       1.097440  8.837092       1.097440  ?              ?         ?              ?         
1 1 1 -17 19 50 o 19.81458 1.777636  4.010115       0.7034407 3.723783       0.9825355 4.311223       1.007567  -1.471436      3.555273  
1 1 1 -17 19 51 o 23.41839 1.468504  5.679684       0.6641793 5.079671       1.055249  6.073318       0.8547148 -2.192694      2.937009  
1 1 1 -17 19 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 20 1  f 90.29277 1.505866  81.77341       2.717942  80.39780       3.771393  83.25991       3.920440  -1.572258      3.011731  
1 1 1 -17 20 2  o 53.96847 1.131090  29.11393       1.218876  28.00568       1.666748  30.38791       1.787032  -2.199486      2.262180  
1 1 1 -17 20 3  o 116.2304 1.843388  135.8109       4.285141  136.2716       6.066879  135.3521       6.053352  0.3941650      3.686775  
1 1 1 -17 20 4  o 62.23278 0.7725159 38.74927       0.9612868 39.48137       1.378012  38.05530       1.341647  1.144211       1.545032  
1 1 1 -17 20 5  o 103.1269 1.144826  106.5660       2.361216  106.3653       3.329274  106.7691       3.349344  -0.1945343     2.289653  
1 1 1 -17 20 6  o 81.19716 0.9407236 65.69850       1.522485  69.80633       2.269864  62.33905       2.052712  4.587090       1.881447  
1 1 1 -17 20 7  o 70.64557 0.8462252 49.76742       1.192469  52.57822       1.766583  47.41468       1.616241  3.647606       1.692450  
1 1 1 -17 20 8  o 34.64982 0.5943168 11.95089       0.4107883 11.09221       0.5576396 12.96976       0.6074341 -2.707695      1.188634  
1 1 1 -17 20 9  f 52.84386 0.7076643 27.31508       0.7371176 31.69947       1.170041  24.42982       0.9491590 6.869862       1.415329  
1 1 1 -17 20 10 f 23.13315 0.5911283 5.336603       0.2729272 5.625591       0.4021170 5.089764       0.3716370 1.157148       1.182257  
1 1 1 -17 20 11 o 61.72228 0.7791359 37.87120       0.9572983 40.77292       1.441266  35.58043       1.280582  4.199436       1.558272  
1 1 1 -17 20 12 o 60.68034 0.7711681 36.85192       0.9358344 36.56204       1.314405  37.14993       1.332724  -0.4836311     1.542336  
1 1 1 -17 20 13 o 63.23416 0.7926350 39.70988       0.9974264 37.01265       1.331711  43.15629       1.505341  -4.850121      1.585270  
1 1 1 -17 20 14 o 12.41397 0.8575591 1.536337       0.2114024 1.595933       0.3211323 1.490757       0.2808391 0.4216490      1.715118  
1 1 1 -17 20 15 o 13.62543 0.8602000 1.802279       0.2303251 2.176636       0.3702904 1.566040       0.2941544 2.236820       1.720400  
1 1 1 -17 20 16 o 40.88779 0.8253741 16.73544       0.6744171 16.78879       0.9741207 16.68632       0.9346433 0.1233406      1.650748  
1 1 1 -17 20 17 o 46.13284 0.8784381 21.21085       0.8085778 19.68396       1.100271  23.00374       1.192265  -3.593002      1.756876  
1 1 1 -17 20 18 o 72.80341 1.191285  52.20687       1.713854  47.44064       2.224302  59.17120       2.688719  -8.019836      2.382570  
1 1 1 -17 20 19 o 71.92506 1.032658  51.82959       1.422558  51.80496       1.772673  51.87416       2.384199  -0.5104065E-02 2.065315  
1 1 1 -17 20 20 o 69.48517 0.8526391 47.69672       1.174129  43.77221       1.539156  53.15929       1.815884  -6.738144      1.705278  
1 1 1 -17 20 21 o 38.27251 0.6543655 14.57860       0.4991377 15.62818       0.7449051 13.72334       0.6724215 2.485188       1.308731  
1 1 1 -17 20 22 f 65.02206 0.8198813 42.18842       1.063938  40.16108       1.447970  44.56740       1.568521  -3.381329      1.639763  
1 1 1 -17 20 23 o 53.98654 0.7379932 28.89699       0.7918673 31.68090       1.204827  26.77989       1.050673  4.530636       1.475986  
1 1 1 -17 20 24 o 72.72325 0.8869925 52.66204       1.285043  49.56173       1.726506  56.51287       1.924169  -4.765244      1.773985  
1 1 1 -17 20 25 o 70.73279 0.8693511 49.29109       1.215206  55.42306       1.905030  45.08408       1.577934  7.284889       1.738702  
1 1 1 -17 20 26 o 45.90699 0.7119962 21.07008       0.6529528 21.70197       0.9513941 20.50742       0.8977669 1.297787       1.423992  
1 1 1 -17 20 27 o 92.20976 1.060685  84.47063       1.942206  91.80537       2.968245  78.97913       2.568339  6.916550       2.121369  
1 1 1 -17 20 28 o 86.83662 1.011378  75.60873       1.756314  76.19131       2.505221  75.04566       2.462926  0.6555099      2.022757  
1 1 1 -17 20 29 o 41.40378 0.6938680 17.13531       0.5734137 17.63729       0.8427620 16.70261       0.7824513 1.124435       1.387736  
1 1 1 -17 20 30 o 88.55275 1.030352  78.63875       1.824319  79.66678       2.616490  77.66616       2.544952  1.121880       2.060704  
1 1 1 -17 20 31 o 51.35977 0.7453024 26.42722       0.7654274 26.16869       1.089745  26.67898       1.075354  -0.4979477     1.490605  
1 1 1 -17 20 32 f 38.34245 0.7006586 14.59519       0.5344027 15.97314       0.8087630 13.52731       0.7119746 3.181698       1.401317  
1 1 1 -17 20 33 o 58.78744 0.7927856 34.51577       0.9293479 36.09556       1.379202  33.20193       1.257768  2.449509       1.585571  
1 1 1 -17 20 34 o 11.58756 1.393929  1.453470       0.3006351 1.017167       0.4574543 1.785173       0.3988665 -3.493414      2.787857  
1 1 1 -17 20 35 o 32.27969 0.7189003 10.43748       0.4617340 10.46573       0.6892017 10.41448       0.6219462 0.7293701E-01  1.437801  
1 1 1 -17 20 36 o 37.14621 0.7276717 13.85976       0.5392490 13.16917       0.7775164 14.49982       0.7485355 -1.793961      1.455343  
1 1 1 -17 20 37 o 70.32396 0.8917971 49.60903       1.254015  49.73463       1.793483  49.48889       1.754065  0.1697617      1.783594  
1 1 1 -17 20 38 o 81.76001 0.9881913 66.69101       1.609471  62.54054       2.161520  71.85553       2.411160  -5.660469      1.976383  
1 1 1 -17 20 39 o 30.96504 0.7675496 9.653292       0.4731974 9.025740       0.6877562 10.21741       0.6520731 -1.928341      1.535099  
1 1 1 -17 20 40 o 22.71326 0.8835085 5.214044       0.3957655 4.940538       0.6035380 5.420371       0.5242034 -1.067799      1.767017  
1 1 1 -17 20 41 o 34.00132 0.7684938 11.51540       0.5183034 12.19090       0.7939795 11.01380       0.6841953 1.716160       1.536988  
1 1 1 -17 20 42 o 23.87769 0.8847241 5.600389       0.4167584 6.481032       0.6590798 5.013672       0.5379638 3.053701       1.769448  
1 1 1 -17 20 43 o 25.30206 0.9982344 6.447767       0.4980153 7.918422       0.7207389 5.104030       0.6889369 5.555862       1.996469  
1 1 1 -17 20 44 o 36.48106 1.050384  13.20307       0.7537079 14.39131       1.198478  12.42565       0.9694039 2.646954       2.100768  
1 1 1 -17 20 45 o 9.540430 2.076596  0.7915295      0.4405727 1.457952       0.7381586 0.4227579      0.5491028 4.330087       4.153192  
1 1 1 -17 20 46 o 31.73202 1.108710  10.02190       0.6873577 10.72059       1.112391  9.590375       0.8742245 1.722132       2.217420  
1 1 1 -17 20 47 o 15.73416 1.796013  2.553781       0.5284386 2.596572       0.8816208 2.529786       0.6601738 -0.1276894     3.592026  
1 1 1 -17 20 48 o 41.16121 1.080029  17.14943       0.8842193 16.15307       1.296409  18.01611       1.209101  -2.284931      2.160057  
1 1 1 -17 20 49 o 17.39528 1.641613  3.092595       0.5469814 3.052868       0.9118445 3.114925       0.6836386 -0.2714462     3.283227  
1 1 1 -17 20 50 o 12.93559 2.249131  1.733935       0.5546115 2.018595       0.9571480 1.590049       0.6804936 1.458195       4.498262  
1 1 1 -17 20 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 21 1  o 58.92939 1.181312  34.81007       1.391900  35.97212       1.987619  33.69179       1.949815  1.931675       2.362624  
1 1 1 -17 21 2  o 36.36657 1.106369  13.26903       0.8038828 13.86318       1.131846  12.66423       1.141946  1.649204       2.212738  
1 1 1 -17 21 3  o 41.27095 1.096785  16.88095       0.8999663 15.27790       1.196840  18.96674       1.365203  -4.456448      2.193569  
1 1 1 -17 21 4  f 64.43416 0.7964511 41.53392       1.025653  40.71898       1.419067  42.42526       1.484102  -1.320560      1.592902  
1 1 1 -17 21 5  o 69.45010 0.8360843 48.22540       1.160204  49.87544       1.686603  46.74325       1.598494  2.250092       1.672169  
1 1 1 -17 21 6  o 42.29377 0.6281176 17.89828       0.5312640 17.58399       0.7467020 18.22048       0.7560262 -0.7520714     1.256235  
1 1 1 -17 21 7  o 89.52486 1.018571  80.13148       1.821051  83.33176       2.665033  77.32842       2.494162  3.341423       2.037143  
1 1 1 -17 21 8  f 9.272183 0.9083691 0.8316689      0.1571939 1.268566       0.2512210 0.5505458      0.2015183 3.968683       1.816738  
1 1 1 -17 21 9  o 66.80821 0.8196449 44.60077       1.093727  43.04409       1.500343  46.36620       1.597779  -2.480995      1.639290  
1 1 1 -17 21 10 o 35.17860 0.6126964 12.37323       0.4307226 12.63999       0.6243157 12.13092       0.5950081 0.7223473      1.225393  
1 1 1 -17 21 11 o 37.89050 0.6256774 14.28503       0.4725051 15.36097       0.7050178 13.40765       0.6366466 2.574684       1.251355  
1 1 1 -17 21 12 o 44.29405 0.7570885 19.88150       0.6622186 16.80908       0.9579297 22.69378       0.9164817 -6.644905      1.514177  
1 1 1 -17 21 13 o 43.45049 0.8273110 18.80421       0.7159818 19.97643       1.072915  17.86310       0.9613490 2.425438       1.654622  
1 1 1 -17 21 14 o 112.3410 1.723127  125.9264       3.846872  118.4590       5.105100  135.7373       5.851576  -7.599701      3.446254  
1 1 1 -17 21 15 o 38.85777 0.8064571 14.71442       0.6168138 17.46796       0.9852062 12.93932       0.7910281 5.816174       1.612914  
1 1 1 -17 21 16 o 54.42907 0.8577798 28.92202       0.8825120 27.49613       1.071787  31.92423       1.555202  -4.038883      1.715560  
1 1 1 -17 21 17 o 23.94421 0.6586529 5.757311       0.3143676 5.358260       0.4520241 6.131127       0.4374975 -1.614565      1.317306  
1 1 1 -17 21 18 f 30.07300 0.6502923 9.062820       0.3905946 8.585335       0.5553323 9.530299       0.5494824 -1.571392      1.300585  
1 1 1 -17 21 19 o 102.5714 1.150633  105.1215       2.353990  100.6018       3.189535  110.5285       3.488621  -4.812927      2.301266  
1 1 1 -17 21 20 o 57.73374 0.7645625 33.36705       0.8825458 33.69832       1.266499  33.05434       1.230496  0.5555420      1.529125  
1 1 1 -17 21 21 o 33.73772 0.6544481 11.39199       0.4406373 11.41892       0.6450614 11.36844       0.6033392 0.7257080E-01  1.308896  
1 1 1 -17 21 22 o 16.26021 0.8545428 2.619491       0.2762815 2.935312       0.4189969 2.376543       0.3674921 1.714496       1.709086  
1 1 1 -17 21 23 o 20.41531 0.7591280 4.041781       0.3038420 5.387969       0.4757246 3.114277       0.3948761 5.563274       1.518256  
1 1 1 -17 21 24 o 45.55048 0.7011582 20.63211       0.6365631 18.82233       0.8601273 22.82378       0.9465357 -4.386776      1.402316  
1 1 1 -17 21 25 o 35.18233 0.6740220 12.32690       0.4725496 13.15555       0.7059225 11.65409       0.6360914 2.129246       1.348044  
1 1 1 -17 21 26 o 62.83793 0.8149906 39.25679       1.019380  36.55762       1.362785  42.68547       1.535941  -4.861446      1.629981  
1 1 1 -17 21 27 o 79.50027 0.9505618 63.35099       1.510994  64.23954       2.167253  62.51057       2.107727  1.081467       1.901124  
1 1 1 -17 21 28 o 24.26670 0.7704706 5.935234       0.3618764 4.113802       0.4962010 8.004668       0.5289042 -8.014273      1.540941  
1 1 1 -17 21 29 o 41.66578 0.6950814 17.34269       0.5783092 18.16189       0.8474729 16.62878       0.7911358 1.835392       1.390163  
1 1 1 -17 21 30 o 29.86948 0.7126260 8.974219       0.4221456 7.584939       0.5932516 10.39921       0.6008286 -4.710329      1.425252  
1 1 1 -17 21 31 o 50.50180 0.7447264 25.07772       0.7430463 28.60731       1.167151  22.67221       0.9635349 5.857506       1.489453  
1 1 1 -17 21 32 o 95.16824 1.095993  90.96690       2.086064  90.84879       2.953754  91.08444       2.946539  -0.1248245     2.191987  
1 1 1 -17 21 33 o 24.28381 0.7754619 5.856905       0.3730072 6.283369       0.5761148 5.549105       0.4894432 1.502815       1.550924  
1 1 1 -17 21 34 o 44.23893 0.7335160 19.62214       0.6486436 19.08314       0.9235067 20.14695       0.9112570 -1.203575      1.467032  
1 1 1 -17 21 35 o 72.84689 0.9088787 52.98898       1.320506  49.92806       1.787857  56.66312       1.958781  -4.600754      1.817757  
1 1 1 -17 21 36 o 32.45708 0.7433729 10.52346       0.4794729 10.85992       0.7248762 10.26175       0.6393101 0.9121895      1.486746  
1 1 1 -17 21 37 o 21.02192 0.9599109 4.665231       0.3797078 2.962165       0.5510827 6.204560       0.5239220 -7.715614      1.919822  
1 1 1 -17 21 38 o 42.30622 0.7459480 17.92837       0.6295977 18.16131       0.9262021 17.72828       0.8584267 0.5035324      1.491896  
1 1 1 -17 21 39 o 62.89400 0.8524506 39.37375       1.067616  36.17546       1.431251  43.38556       1.602973  -5.706379      1.704901  
1 1 1 -17 21 40 o 16.98512 1.089243  2.946850       0.3581656 2.710290       0.5713972 3.099951       0.4596812 -1.168205      2.178486  
1 1 1 -17 21 41 o 37.78471 0.8461260 14.06261       0.6329459 12.47225       0.8267745 16.31446       0.9838070 -5.060429      1.692252  
1 1 1 -17 21 42 o 10.51052 1.908854  1.167166       0.4012490 1.175431       0.6097015 1.160851       0.5329209 0.7061958E-01  3.817709  
1 1 1 -17 21 43 o 59.16922 1.150402  35.28111       1.360287  33.53917       1.917323  37.04656       1.930215  -2.960907      2.300804  
1 1 1 -17 21 44 o 8.106840 2.097949  0.5567718      0.4343855 0.4643492      0.7316112 0.6070924      0.5398385 0.1208820      4.195898  
1 1 1 -17 21 45 o 19.56927 1.452905  4.061377       0.5345770 3.263905       0.8694100 4.546156       0.6778588 -3.335564      2.905810  
1 1 1 -17 21 46 o 28.79539 1.159403  8.028880       0.6512766 9.930031       1.076522  6.931353       0.8179413 5.139006       2.318806  
1 1 1 -17 21 47 o 48.74821 1.106061  23.89208       1.070425  24.52149       1.624036  23.40861       1.423356  1.088135       2.212121  
1 1 1 -17 21 48 o 41.79264 1.109020  17.54095       0.9165381 18.12526       1.415769  17.11938       1.202540  1.144257       2.218041  
1 1 1 -17 21 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 22 1  o 17.20550 1.790237  2.964493       0.5698994 1.814772       0.7494290 4.541014       0.8775749 -8.107506      3.580474  
1 1 1 -17 22 2  o 26.46772 1.265687  6.986666       0.6665570 6.062191       0.9076468 8.068922       0.9820514 -3.783665      2.531375  
1 1 1 -17 22 3  o 113.3334 1.249035  128.7236       2.828342  125.7165       3.897503  132.0688       4.110772  -2.782349      2.498069  
1 1 1 -17 22 4  o 49.82025 0.6859424 24.63961       0.6799684 22.90310       0.9071535 26.86633       1.027246  -3.971397      1.371885  
1 1 1 -17 22 5  o 36.74994 0.6066967 13.47358       0.4451663 12.78268       0.6084124 14.26964       0.6530785 -2.021084      1.213393  
1 1 1 -17 22 6  o 22.57445 0.5823718 5.110592       0.2623371 4.773914       0.3741750 5.436082       0.3679057 -1.466896      1.164744  
1 1 1 -17 22 7  o 10.44689 0.8086749 1.146823       0.1608484 0.8261876      0.2430766 1.396583       0.2145355 -2.731592      1.617350  
1 1 1 -17 22 8  o 84.02811 0.9741775 70.71865       1.636775  69.54340       2.284395  71.95850       2.346346  -1.432663      1.948355  
1 1 1 -17 22 9  o 32.92507 0.6971416 10.79371       0.4554071 11.29254       0.6955422 10.41939       0.6025143 1.321205       1.394283  
1 1 1 -17 22 10 o 46.31363 1.750033  21.51844       1.621008  21.51844       1.621008  ?              ?         ?              ?         
1 1 1 -17 22 11 o 45.69093 0.8455930 20.90880       0.7725098 20.88921       1.105139  20.92752       1.080273  -0.4350662E-01 1.691186  
1 1 1 -17 22 12 f 54.23294 0.8473909 28.85560       0.8754091 27.57365       1.073154  31.40522       1.513433  -3.504066      1.694782  
1 1 1 -17 22 13 o 75.05807 0.8991756 56.08693       1.343817  52.92640       1.800387  60.06270       2.019283  -4.738434      1.798351  
1 1 1 -17 22 14 o 46.04370 0.6847621 21.21797       0.6304522 21.44614       0.9024509 21.00047       0.8811201 0.4827957      1.369524  
1 1 1 -17 22 15 o 41.78095 0.6690732 17.46422       0.5588831 17.84291       0.8038817 17.10995       0.7775365 0.8757019      1.338146  
1 1 1 -17 22 16 o 34.61764 0.6466027 11.79431       0.4435572 9.948651       0.5878756 14.23375       0.6758555 -6.184465      1.293205  
1 1 1 -17 22 17 o 77.28148 0.9223446 59.75743       1.424154  61.73373       2.071719  57.98679       1.960958  2.415588       1.844689  
1 1 1 -17 22 18 o 28.21498 0.6600893 7.819089       0.3688294 9.146027       0.5718029 6.873630       0.4826611 4.021852       1.320179  
1 1 1 -17 22 19 o 54.15068 0.7401403 29.34074       0.8009995 29.92532       1.159266  28.80667       1.108039  1.029533       1.480281  
1 1 1 -17 22 20 o 71.02890 0.8716757 50.43576       1.236219  52.47448       1.812880  48.66380       1.690122  2.672600       1.743351  
1 1 1 -17 22 21 o 70.84853 0.8710611 50.23563       1.233121  51.71681       1.791323  48.90155       1.700048  1.979134       1.742122  
1 1 1 -17 22 22 o 23.89500 0.7074448 5.757771       0.3356180 5.265357       0.4911911 6.188973       0.4596486 -1.934904      1.414890  
1 1 1 -17 22 23 o 40.08160 0.6816429 16.06655       0.5458671 15.07911       0.7583817 17.12808       0.7863215 -2.554028      1.363286  
1 1 1 -17 22 24 o 54.17791 0.7531264 29.28664       0.8139317 30.96321       1.205319  27.88124       1.103549  2.836246       1.506253  
1 1 1 -17 22 25 o 31.54419 0.6771693 9.983291       0.4263888 9.427631       0.6095657 10.51565       0.5966513 -1.725538      1.354339  
1 1 1 -17 22 26 o 35.95298 0.6830969 12.90124       0.4896369 13.47445       0.7275581 12.42671       0.6619805 1.452080       1.366194  
1 1 1 -17 22 27 o 75.25420 0.9153904 56.50444       1.373326  53.40033       1.853710  60.28097       2.044651  -4.551224      1.830781  
1 1 1 -17 22 28 o 41.74947 0.7036043 17.45293       0.5867146 17.58906       0.8536109 17.33104       0.8077655 0.3050957      1.407209  
1 1 1 -17 22 29 o 15.21639 0.9941550 2.400915       0.2925712 1.877893       0.4397928 2.816140       0.3918594 -3.088887      1.988310  
1 1 1 -17 22 30 o 39.11130 0.7034435 15.23932       0.5478049 16.20364       0.8227562 14.47139       0.7342094 2.206276       1.406887  
1 1 1 -17 22 31 o 40.71855 0.7071146 16.60156       0.5750442 16.79757       0.8378688 16.42702       0.7906541 0.4504929      1.414229  
1 1 1 -17 22 32 o 24.35310 0.7694334 5.886341       0.3724549 6.465468       0.5664514 5.445272       0.4943429 2.086950       1.538867  
1 1 1 -17 22 33 o 64.24701 0.8440490 41.39628       1.084510  40.91394       1.531555  41.88137       1.535913  -0.7523766     1.688098  
1 1 1 -17 22 34 o 87.75764 1.037355  77.09194       1.816683  73.54887       2.470725  81.26198       2.680422  -4.362709      2.074710  
1 1 1 -17 22 35 o 27.56107 1.268055  7.466917       0.6888357 9.528168       1.062879  5.974203       0.9044962 6.417191       2.536111  
1 1 1 -17 22 36 f 34.74490 0.7605357 12.08106       0.5241672 10.08283       0.7218448 14.31004       0.7623840 -6.078190      1.521071  
1 1 1 -17 22 37 o 37.07185 0.7423440 13.74515       0.5475495 14.11753       0.8218025 13.44788       0.7342731 0.8918304      1.484688  
1 1 1 -17 22 38 f 49.82230 0.7844189 24.73437       0.7789940 22.42501       1.055087  27.50186       1.155009  -5.081150      1.568838  
1 1 1 -17 22 39 o 19.77621 1.037681  3.947437       0.4088013 3.626267       0.5866827 4.250543       0.5699453 -1.581448      2.075362  
1 1 1 -17 22 40 o 79.88211 1.244923  63.44071       1.933733  60.67876       2.438940  68.11582       3.173141  -4.482559      2.489846  
1 1 1 -17 22 41 o 16.20137 1.598170  2.858793       0.4680603 2.166084       0.7574347 3.286734       0.5953347 -3.718245      3.196339  
1 1 1 -17 22 42 o 24.33688 1.162888  5.742651       0.5528048 7.062039       0.9095618 4.969814       0.6961290 4.246943       2.325775  
1 1 1 -17 22 43 f 9.010926 2.066484  0.8244511      0.4308070 0.5393996      0.7059331 0.9936106      0.5438133 -1.398727      4.132967  
1 1 1 -17 22 44 o 9.154123 2.139120  0.6851391      0.4485357 1.292346       0.7777821 0.3825826      0.5490260 3.866553       4.278241  
1 1 1 -17 22 45 o 19.20869 1.431146  3.699598       0.5288548 3.885459       0.8867536 3.596995       0.6588517 0.6752129      2.862293  
1 1 1 -17 22 46 o 27.44171 1.239848  7.835133       0.6596940 6.368773       1.000466  8.963138       0.8774812 -4.764465      2.479696  
1 1 1 -17 22 47 o 22.14582 1.380806  5.008297       0.5835040 4.833111       0.9754770 5.105906       0.7281358 -0.6979847     2.761612  
1 1 1 -17 22 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 23 1  o 51.08588 1.155326  25.99918       1.176126  28.89572       1.750411  23.61519       1.588009  5.150913       2.310652  
1 1 1 -17 23 2  o 50.41411 0.6883687 25.44620       0.6940464 25.74235       0.9839555 25.15295       0.9791220 0.5842590      1.376737  
1 1 1 -17 23 3  o 49.76364 0.9621400 25.91183       0.8662146 27.61093       1.044934  22.17928       1.548750  5.499058       1.924280  
1 1 1 -17 23 4  o 53.95686 1.176749  29.21852       1.269700  29.61953       1.789912  28.81236       1.801396  0.7491837      2.353499  
1 1 1 -17 23 5  o 30.06641 1.729610  0.000000       0.000000  ?              ?         9.073564       1.040063  ?              ?         
1 1 1 -17 23 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 23 7  o 72.57224 1.639362  0.000000       0.000000  ?              ?         52.84248       2.379443  ?              ?         
1 1 1 -17 23 8  f 20.22433 0.6830827 4.118805       0.2737084 3.463271       0.3863375 4.779418       0.3878312 -3.253778      1.366165  
1 1 1 -17 23 9  o 29.42170 1.727630  8.688486       1.016597  8.688486       1.016597  ?              ?         ?              ?         
1 1 1 -17 23 10 f 52.32648 0.7202508 26.68028       0.7416196 31.63971       1.185937  23.49539       0.9503699 7.767174       1.440502  
1 1 1 -17 23 11 o 13.26590 0.7681024 1.736916       0.2023088 2.015407       0.3083712 1.526475       0.2680609 1.840049       1.536205  
1 1 1 -17 23 12 o 59.57241 0.7721220 35.39545       0.9174899 37.52517       1.359565  33.61449       1.243273  3.274162       1.544244  
1 1 1 -17 23 13 o 72.56796 0.8781931 52.75446       1.274366  53.42681       1.822365  52.11102       1.782739  0.9033890      1.756386  
1 1 1 -17 23 14 o 49.72592 0.7100723 24.47916       0.7015210 27.24872       1.069874  22.39029       0.9291452 4.875801       1.420145  
1 1 1 -17 23 15 o 48.42939 0.7018927 23.47605       0.6795970 23.82188       0.9769349 23.15176       0.9460018 0.6897469      1.403785  
1 1 1 -17 23 16 o 96.47849 1.097868  93.13451       2.114047  97.32516       3.113211  89.54861       2.879836  4.004738       2.195736  
1 1 1 -17 23 17 o 19.95162 0.7259157 4.020381       0.2872207 3.577031       0.4175669 4.418508       0.3956976 -2.110397      1.451831  
1 1 1 -17 23 18 o 20.00321 0.7349569 4.014312       0.2926897 3.933455       0.4327607 4.082479       0.3973538 -0.3751965     1.469914  
1 1 1 -17 23 19 o 19.90007 0.7502667 3.985459       0.2971911 3.670436       0.4296482 4.274461       0.4115211 -1.519062      1.500533  
1 1 1 -17 23 20 o 67.15285 0.8460714 45.19170       1.136317  45.12538       1.608567  45.25776       1.605428  -0.9884644E-01 1.692143  
1 1 1 -17 23 21 o 73.11449 0.8979999 52.76915       1.299367  48.26135       1.694858  59.19615       2.023740  -7.445969      1.796000  
1 1 1 -17 23 22 o 83.04744 0.9804081 69.17368       1.628337  69.55289       2.315783  68.80284       2.290065  0.4487762      1.960816  
1 1 1 -17 23 23 o 58.18799 0.7824387 33.61926       0.9059339 30.94334       1.208989  37.04576       1.368078  -5.229393      1.564877  
1 1 1 -17 23 24 o 13.99462 1.007821  1.902786       0.2764807 2.538747       0.4329414 1.464810       0.3592849 3.828209       2.015642  
1 1 1 -17 23 25 o 45.99775 0.7162834 21.17910       0.6585482 20.17051       0.9184585 22.24627       0.9447537 -2.254059      1.432567  
1 1 1 -17 23 26 o 42.45186 0.7062224 17.89686       0.5962041 19.51174       0.9038801 16.65314       0.7932337 3.356888       1.412445  
1 1 1 -17 23 27 o 33.14827 0.7022192 11.03402       0.4644317 10.47342       0.6686684 11.55653       0.6455525 -1.635880      1.404438  
1 1 1 -17 23 28 o 53.61136 0.7653853 28.73146       0.8190101 29.93493       1.205350  27.69928       1.116282  2.075821       1.530771  
1 1 1 -17 23 29 o 56.36353 0.7820110 31.82633       0.8810993 32.36511       1.270097  31.32649       1.223344  0.9163551      1.564022  
1 1 1 -17 23 30 f 6.016993 1.622711  0.2556040      0.2696742 0.1749058      0.4283436 0.3085927      0.3470978 -0.1505280     3.245422  
1 1 1 -17 23 31 o 38.36879 0.7173116 14.56661       0.5462905 16.28757       0.8379161 13.29430       0.7204618 3.888351       1.434623  
1 1 1 -17 23 32 o 34.39034 0.7233708 11.82412       0.4958701 12.18736       0.7364615 11.52288       0.6706783 0.9590645      1.446742  
1 1 1 -17 23 33 o 20.05064 0.9039252 4.131518       0.3538136 3.373978       0.5268357 4.753890       0.4775264 -3.447874      1.807850  
1 1 1 -17 23 34 o 20.24735 1.497540  4.203221       0.5955950 3.752956       0.9015147 4.551968       0.7934020 -2.000053      2.995081  
1 1 1 -17 23 35 o 27.11997 0.8089492 7.482984       0.4309906 5.942324       0.6150383 8.969496       0.6041335 -5.582596      1.617898  
1 1 1 -17 23 36 o 13.30329 1.247747  1.808961       0.3224506 1.667807       0.5101678 1.902862       0.4161034 -0.9038725     2.495493  
1 1 1 -17 23 37 o 60.40942 0.9035785 35.99192       1.068341  33.68660       1.358492  39.72861       1.729558  -4.940647      1.807157  
1 1 1 -17 23 38 o 15.69129 1.243293  2.493376       0.3880886 2.352473       0.5688896 2.616030       0.5307712 -0.8487730     2.486587  
1 1 1 -17 23 39 o 59.88423 1.132949  36.13437       1.355547  35.77551       1.955940  36.46603       1.880360  -0.5935555     2.265897  
1 1 1 -17 23 40 o 53.00890 1.077256  28.25533       1.137926  28.67153       1.688077  27.90869       1.540560  0.6869469      2.154512  
1 1 1 -17 23 41 o 25.80065 1.123299  6.605317       0.5617737 7.126781       0.9303763 6.306108       0.7047490 1.533909       2.246598  
1 1 1 -17 23 42 o 23.94619 1.186313  5.719741       0.5510198 6.046997       0.9071509 5.528401       0.6936455 1.027172       2.372626  
1 1 1 -17 23 43 o 55.17848 1.133478  30.73414       1.247906  30.18359       1.819245  31.22340       1.714978  -0.9694176     2.266956  
1 1 1 -17 23 44 o 16.62077 1.715062  2.945870       0.5224696 2.561972       0.8638604 3.167291       0.6560628 -2.140553      3.430124  
1 1 1 -17 23 45 o 8.957499 2.005131  0.7954386      0.4598030 -0.3798516E-01 0.7596983 1.277228       0.5776131 -3.988910      4.010262  
1 1 1 -17 23 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 24 1  f 33.79277 0.5853567 11.35822       0.3943435 10.44140       0.5331161 12.46596       0.5859994 -2.992256      1.170713  
1 1 1 -17 24 2  o 32.59193 0.6280031 10.69551       0.4070109 9.775640       0.5901253 11.53008       0.5620978 -2.693373      1.256006  
1 1 1 -17 24 3  o 45.99721 0.8150916 21.04022       0.7465952 19.53215       1.000563  22.93466       1.121435  -3.688244      1.630183  
1 1 1 -17 24 4  o 89.21556 1.386670  79.94669       2.471884  77.85576       3.406832  82.27116       3.592060  -2.447639      2.773340  
1 1 1 -17 24 5  o 52.98615 0.8184891 28.05685       0.8446858 27.80852       1.076087  28.45549       1.363395  -0.5860367     1.636978  
1 1 1 -17 24 6  o 43.96328 0.6627808 18.90298       0.5753374 22.34885       0.9057840 16.57246       0.7449058 6.558403       1.325562  
1 1 1 -17 24 7  o 54.25494 0.7368574 29.29899       0.7963765 27.51345       1.069480  31.52127       1.193131  -3.683983      1.473715  
1 1 1 -17 24 8  o 83.01659 1.452869  69.22713       2.409699  71.94426       3.507870  66.79926       3.315886  3.069603       2.905738  
1 1 1 -17 24 9  o 20.61905 1.152735  4.195309       0.3519258 4.160379       0.3841680 4.377592       0.8775930 -0.4708672     2.305470  
1 1 1 -17 24 10 o 86.41522 1.494443  75.11629       2.581789  77.05373       3.717023  73.31026       3.588758  2.145889       2.988886  
1 1 1 -17 24 11 o 30.34819 1.244946  9.125500       0.7489088 7.627070       1.000571  11.03433       1.129311  -5.596840      2.489891  
1 1 1 -17 24 12 f 42.12158 1.140910  17.80821       0.9609237 17.68150       1.342845  17.94118       1.375651  -0.3043060     2.281820  
1 1 1 -17 24 13 o 28.73542 1.231987  8.295378       0.7047926 9.379376       1.012503  7.276400       0.9816672 3.655199       2.463974  
1 1 1 -17 24 14 o 92.79847 1.332516  86.72001       2.308517  86.17821       4.067705  86.97742       2.803785  -0.6075134     2.665032  
1 1 1 -17 24 15 o 18.44523 0.7450001 3.341150       0.2719000 3.894603       0.4238079 2.953989       0.3544661 2.544144       1.490000  
1 1 1 -17 24 16 o 48.27326 0.7109284 23.20135       0.6838916 24.96087       1.021759  21.77333       0.9204867 3.293606       1.421857  
1 1 1 -17 24 17 o 81.48540 0.9636006 66.44501       1.567850  69.14447       2.297993  64.09414       2.144504  3.082245       1.927201  
1 1 1 -17 24 18 f 52.14501 0.7379858 27.23298       0.7695202 26.55733       1.079953  27.92984       1.096773  -1.314621      1.475972  
1 1 1 -17 24 19 o 42.04646 0.6852235 17.66763       0.5752884 18.36617       0.8432143 17.05933       0.7868667 1.549488       1.370447  
1 1 1 -17 24 20 o 44.81266 0.7060031 19.81931       0.6280492 17.27148       0.8329155 23.17705       0.9561796 -6.578678      1.412006  
1 1 1 -17 24 21 f 58.66635 0.7830490 34.49247       0.9187291 34.37808       1.304361  34.60509       1.294256  -0.1944580     1.566098  
1 1 1 -17 24 22 o 51.18900 0.7408043 26.25676       0.7583105 26.15186       1.080449  26.35859       1.064553  -0.2034302     1.481609  
1 1 1 -17 24 23 o 53.21638 0.7552433 28.33535       0.8029382 29.29425       1.169436  27.48014       1.104405  1.698002       1.510487  
1 1 1 -17 24 24 o 47.28477 0.7302701 22.21299       0.6875771 20.28978       0.9219934 24.62275       1.032049  -4.570969      1.460540  
1 1 1 -17 24 25 o 46.66899 0.7233635 21.68712       0.6724963 23.34138       1.007387  20.35728       0.9032235 3.186848       1.446727  
1 1 1 -17 24 26 o 43.00488 0.7171649 18.51923       0.6163609 17.52383       0.8607476 19.56679       0.8830106 -2.373066      1.434330  
1 1 1 -17 24 27 o 24.74049 0.7671344 5.916768       0.3727586 7.570316       0.5954533 4.851173       0.4780080 5.482496       1.534269  
1 1 1 -17 24 28 o 60.13781 0.8152639 36.26182       0.9804174 36.42837       1.400033  36.10155       1.373390  0.2685547      1.630528  
1 1 1 -17 24 29 o 17.10924 1.003105  3.067062       0.3277603 2.143942       0.4823515 3.858909       0.4467403 -5.016841      2.006210  
1 1 1 -17 24 30 o 74.67635 0.9239763 55.56016       1.372417  59.79704       2.076674  52.27481       1.828674  5.001343       1.847953  
1 1 1 -17 24 31 o 48.82080 0.7557641 23.90204       0.7378120 23.48756       1.046252  24.31206       1.040619  -0.8451118     1.511528  
1 1 1 -17 24 32 o 60.67160 0.8282058 36.59053       0.9985986 39.93827       1.520060  34.04873       1.324512  4.825459       1.656412  
1 1 1 -17 24 33 o 61.74425 1.287056  38.21081       1.584515  41.59806       2.353763  35.40365       2.142756  4.968319       2.574113  
1 1 1 -17 24 34 f 14.69120 1.156152  2.103664       0.3341969 2.678178       0.5281755 1.720084       0.4315750 3.241031       2.312303  
1 1 1 -17 24 35 o 65.21635 0.9404575 42.62357       1.213763  42.03654       1.599366  43.42080       1.863872  -1.016022      1.880915  
1 1 1 -17 24 36 o 9.760413 1.781679  1.002423       0.3637463 0.6194471      0.5148900 1.383989       0.5139412 -3.441771      3.563358  
1 1 1 -17 24 37 o 24.98988 1.101058  6.396664       0.5391425 5.611944       0.8175842 7.000467       0.7171712 -2.799894      2.202116  
1 1 1 -17 24 38 o 9.149361 2.043839  0.7572108      0.4193970 1.233142       0.6864442 0.4737363      0.5297734 3.312243       4.087678  
1 1 1 -17 24 39 o 14.15731 1.690288  2.170208       0.4371927 1.770257       0.7216418 2.402122       0.5495175 -2.528503      3.380576  
1 1 1 -17 24 40 o 49.37514 1.070421  24.51363       1.051141  24.92251       1.577600  24.18718       1.409620  0.7049942      2.140843  
1 1 1 -17 24 41 o 36.92871 1.056065  13.58335       0.7674725 14.56733       1.214987  12.93007       0.9899853 2.162258       2.112130  
1 1 1 -17 24 42 o 34.19029 1.069457  11.79267       0.7224810 11.71383       1.109096  11.85078       0.9522337 -0.2411766     2.138914  
1 1 1 -17 24 43 o 33.41352 1.070968  11.05761       0.7069426 12.50958       1.110271  10.06756       0.9168128 3.602449       2.141936  
1 1 1 -17 24 44 f 10.78724 3.024372  0.000000       0.000000  ?              ?         1.235928       0.6785988 ?              ?         
1 1 1 -17 25 1  o 30.06726 0.6410612 9.034718       0.3850594 8.488553       0.5318976 9.636156       0.5581639 -1.906334      1.282122  
1 1 1 -17 25 2  o 9.442545 0.8049769 0.9912681      0.1318632 0.5242722      0.1944061 1.389198       0.1794555 -4.676064      1.609954  
1 1 1 -17 25 3  o 47.81857 0.6895052 22.25515       0.6482468 19.53694       0.8288507 26.53696       1.040276  -7.301838      1.379010  
1 1 1 -17 25 4  o 73.16882 0.8844482 53.67653       1.294263  53.44982       1.824554  53.90615       1.836230  -0.3106079     1.768896  
1 1 1 -17 25 5  f 44.75130 0.6694071 19.83207       0.5953476 22.11540       0.9063101 18.09894       0.7896014 4.478275       1.338814  
1 1 1 -17 25 6  f 89.31899 1.031564  80.05119       1.842596  80.84867       2.627658  79.27968       2.584527  0.8730621      2.063129  
1 1 1 -17 25 7  o 15.24115 1.977299  2.398617       0.5877665 2.064624       0.8224370 2.747281       0.8403058 -2.489524      3.954597  
1 1 1 -17 25 8  o 45.27876 0.6788032 20.44981       0.6134307 19.16812       0.8359529 21.94522       0.9029608 -3.061302      1.357606  
1 1 1 -17 25 9  o 54.02801 0.7352077 29.20673       0.7938021 30.12898       1.151062  28.37036       1.096161  1.622734       1.470415  
1 1 1 -17 25 10 o 59.88551 0.7828903 35.55241       0.9315720 32.70568       1.234315  39.32005       1.419998  -5.505222      1.565781  
1 1 1 -17 25 11 o 41.73758 0.6672525 17.30020       0.5545394 19.11643       0.8327191 15.85292       0.7433435 3.902428       1.334505  
1 1 1 -17 25 12 o 57.63868 0.7684312 32.87085       0.8791299 30.02055       1.159377  36.72692       1.348501  -5.800049      1.536862  
1 1 1 -17 25 13 o 53.67587 0.7412220 28.81390       0.7948367 29.94899       1.157839  27.80223       1.093091  1.993893       1.482444  
1 1 1 -17 25 14 o 16.24659 0.8097149 2.715087       0.2555462 2.041953       0.3703632 3.326765       0.3530517 -3.955781      1.619430  
1 1 1 -17 25 15 o 42.37963 0.6801041 17.99159       0.5763932 17.80675       0.8180440 18.17382       0.8122729 -0.4335747     1.360208  
1 1 1 -17 25 16 o 18.21357 0.7721443 3.288273       0.2797097 3.708575       0.4228896 2.961394       0.3729405 2.046240       1.544289  
1 1 1 -17 25 17 o 40.56781 0.6856093 16.46475       0.5558668 15.65287       0.7716395 17.34054       0.8014357 -2.077400      1.371219  
1 1 1 -17 25 18 o 47.23128 0.9850096 22.79525       0.8373356 23.34987       0.9947194 21.44660       1.551140  2.084999       1.970019  
1 1 1 -17 25 19 o 58.26833 1.089026  33.64466       1.203213  32.69967       1.472719  35.54166       2.086606  -2.349663      2.178052  
1 1 1 -17 25 20 o 87.38345 1.510820  76.91148       2.637144  74.83920       3.622949  79.24676       3.846007  -2.476273      3.021639  
1 1 1 -17 25 21 o 9.332611 2.277605  0.7921609      0.5159433 0.9638816      0.7757664 0.6559588      0.6908944 1.268014       4.555209  
1 1 1 -17 25 22 o 42.14648 1.139688  17.84943       0.9605178 17.63646       1.343634  18.07200       1.373617  -0.5119629     2.279375  
1 1 1 -17 25 23 f 73.47191 1.364597  54.30927       2.003046  52.82531       2.756763  55.96888       2.915356  -2.108513      2.729194  
1 1 1 -17 25 24 o 64.51598 1.273329  41.88733       1.642727  42.86955       2.346532  40.94327       2.300485  1.484337       2.546657  
1 1 1 -17 25 25 o 76.46991 1.402269  58.84472       2.141573  57.04254       2.935666  60.89476       3.131051  -2.478661      2.804537  
1 1 1 -17 25 26 o 36.26513 0.9762159 12.28467       0.5946541 14.93554       1.299766  11.58293       0.6687480 4.532135       1.952432  
1 1 1 -17 25 27 o 27.68193 1.036392  7.342823       0.4833309 8.370089       1.037338  7.057968       0.5462480 2.292330       2.072784  
1 1 1 -17 25 28 o 52.17942 0.9961833 26.03826       0.9131196 30.13252       1.847396  24.71463       1.050400  5.061642       1.992367  
1 1 1 -17 25 29 o 18.95728 1.105462  3.160259       0.3797226 4.765064       0.7595447 2.625510       0.4384467 5.580729       2.210925  
1 1 1 -17 25 30 o 17.95022 1.128906  3.028764       0.3714904 3.783474       0.7100378 2.744306       0.4359136 2.840080       2.257812  
1 1 1 -17 25 31 o 33.07353 0.8537213 10.05925       0.5223404 13.45881       0.9912529 8.752397       0.6145930 7.057957       1.707443  
1 1 1 -17 25 32 o 30.62562 1.813149  9.829019       0.9818603 10.19964       1.159384  8.889073       1.846358  2.354143       3.626298  
1 1 1 -17 25 33 o 39.72723 0.9169341 15.24986       0.7043585 18.19730       1.192875  13.67213       0.8727475 5.639942       1.833868  
1 1 1 -17 25 34 o 28.95438 1.469235  8.326146       0.6720266 8.746673       1.542574  8.227637       0.7466010 0.6767731      2.938470  
1 1 1 -17 25 35 o 30.45461 1.442158  9.759029       0.7252822 8.711248       1.503650  10.07672       0.8279669 -2.425186      2.884317  
1 1 1 -17 25 36 o 42.98561 1.356739  0.000000       0.000000  ?              ?         18.58107       1.166405  ?              ?         
1 1 1 -17 25 37 o 15.74598 1.730095  0.000000       0.000000  ?              ?         2.502754       0.5448408 ?              ?         
1 1 1 -17 25 38 o 21.83245 1.491893  0.000000       0.000000  ?              ?         4.799828       0.6514339 ?              ?         
1 1 1 -17 25 39 o 36.23640 2.125310  0.000000       0.000000  ?              ?         13.32471       1.540272  ?              ?         
1 1 1 -17 25 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 25 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 25 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 26 1  o 47.11098 0.6802132 22.18263       0.6401228 23.31583       0.9337558 21.17788       0.8792422 2.264008       1.360426  
1 1 1 -17 26 2  o 32.92412 0.5968207 10.67607       0.3896620 12.37630       0.5996106 9.433112       0.5126759 4.462597       1.193641  
1 1 1 -17 26 3  o 31.68552 0.5961667 10.04489       0.3776354 9.738459       0.5250308 10.37335       0.5435656 -1.000362      1.192333  
1 1 1 -17 26 4  o 34.34673 0.6150595 11.70016       0.4203537 13.01802       0.6343641 10.66851       0.5612649 3.414196       1.230119  
1 1 1 -17 26 5  o 33.70229 0.6147836 11.37190       0.4143388 11.15933       0.5806737 11.59239       0.5914006 -0.6415863     1.229567  
1 1 1 -17 26 6  o 34.17316 1.255682  11.59398       0.8471330 14.55978       1.272962  9.236465       1.134937  7.765558       2.511364  
1 1 1 -17 26 7  o 53.23375 0.7378646 28.39391       0.7855382 28.80737       1.117324  27.98979       1.104623  0.7666588      1.475729  
1 1 1 -17 26 8  f 67.90425 0.8495864 46.21635       1.153542  45.26270       1.610462  47.22114       1.653082  -1.437172      1.699173  
1 1 1 -17 26 9  o 52.81109 0.7307267 27.94126       0.7717236 27.56227       1.081596  28.33427       1.101439  -0.7289467     1.461453  
1 1 1 -17 26 10 o 46.03674 0.6882650 21.22386       0.6335288 21.56596       0.9092231 20.90104       0.8832321 0.7197418      1.376530  
1 1 1 -17 26 11 o 76.67042 0.9259185 58.66497       1.414134  55.70134       1.899956  62.34594       2.117452  -4.305939      1.851837  
1 1 1 -17 26 12 o 35.97285 0.6487181 12.90733       0.4655500 13.71907       0.6889598 12.22522       0.6315536 2.071308       1.297436  
1 1 1 -17 26 13 o 19.65927 0.7581347 3.885080       0.2863743 2.572361       0.3889754 5.438753       0.4231711 -7.286783      1.516269  
1 1 1 -17 26 14 o 51.77034 0.7349107 26.76081       0.7592766 28.31548       1.119902  25.43825       1.032923  2.770103       1.469821  
1 1 1 -17 26 15 o 8.303892 1.356333  0.7380937      0.2202837 0.5991287      0.3368056 0.8419751      0.2912027 -1.406970      2.712667  
1 1 1 -17 26 16 o 51.78874 0.7375681 26.87438       0.7639022 26.51162       1.073146  27.24700       1.087642  -0.7084999     1.475136  
1 1 1 -17 26 17 o 75.98938 0.9225460 57.81857       1.399946  60.06715       2.049511  55.85177       1.916790  2.756371       1.845092  
1 1 1 -17 26 18 o 56.87840 0.7794769 32.27453       0.8841115 30.45086       1.195634  34.47471       1.313274  -3.524044      1.558954  
1 1 1 -17 26 19 o 36.82123 0.6843064 13.58318       0.5035123 13.60851       0.7275299 13.55990       0.6975627 0.6302643E-01  1.368613  
1 1 1 -17 26 20 f 84.86867 1.007664  71.91096       1.703306  67.98904       2.286066  76.80524       2.553784  -5.154533      2.015328  
1 1 1 -17 26 21 o 38.27799 0.7008274 14.69435       0.5360541 14.26678       0.7667400 15.10318       0.7497362 -1.094288      1.401655  
1 1 1 -17 26 22 o 58.52225 0.7976587 34.24804       0.9321898 32.66584       1.275969  36.05922       1.365179  -2.888493      1.595317  
1 1 1 -17 26 23 o 35.30225 0.7017718 12.45598       0.4942976 12.95675       0.7297533 12.03146       0.6719086 1.304142       1.403544  
1 1 1 -17 26 24 o 63.17466 0.8368073 39.97379       1.056374  38.38008       1.457587  41.73701       1.533153  -2.646416      1.673615  
1 1 1 -17 26 25 o 10.06836 1.473438  1.084164       0.2853847 0.8627895      0.4494658 1.233695       0.3694015 -2.002706      2.946876  
1 1 1 -17 26 26 o 52.92429 0.7791185 28.07935       0.8244250 27.14378       1.152106  29.06116       1.180229  -1.807590      1.558237  
1 1 1 -17 26 27 o 43.68336 0.7413736 19.14785       0.6472251 18.67987       0.9259881 19.59486       0.9050018 -1.050034      1.482747  
1 1 1 -17 26 28 o 30.71095 0.7507783 9.505047       0.4584245 8.404798       0.6531209 10.57347       0.6436040 -3.532030      1.501557  
1 1 1 -17 26 29 o 22.83691 0.8862532 5.206901       0.4014367 6.222851       0.5905700 4.334283       0.5473275 4.128017       1.772506  
1 1 1 -17 26 30 o 35.41527 0.8427787 12.59633       0.5965326 12.07679       0.8445882 13.11349       0.8426640 -1.463940      1.685557  
1 1 1 -17 26 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 26 32 f 47.39452 0.9995662 22.51132       0.9427615 23.34023       1.415724  21.85085       1.263719  1.540905       1.999132  
1 1 1 -17 26 33 o 24.69717 1.059476  6.262131       0.5111024 5.438835       0.7797506 6.882300       0.6767577 -2.944769      2.118952  
1 1 1 -17 26 34 o 17.66059 1.280895  3.163014       0.4376847 3.103925       0.7121735 3.198878       0.5548337 -0.3134060     2.561790  
1 1 1 -17 26 35 o 40.41367 0.9938146 16.50331       0.7997718 15.29032       1.156145  17.61642       1.107518  -2.888474      1.987629  
1 1 1 -17 26 36 o 49.16476 1.047120  24.30639       1.027274  22.09687       1.425676  26.69232       1.481500  -4.660366      2.094240  
1 1 1 -17 26 37 f 49.20733 1.052667  24.41799       1.033627  23.97634       1.505595  24.81171       1.421561  -0.8696442     2.105333  
1 1 1 -17 26 38 o 26.48369 1.123697  7.156139       0.5829363 6.642519       0.9026809 7.523569       0.7634847 -1.702190      2.247393  
1 1 1 -17 26 39 o 26.97540 1.100738  7.219985       0.5849895 8.006802       0.9270272 6.699342       0.7540935 2.376463       2.201476  
1 1 1 -17 26 40 o 30.43003 1.474338  0.000000       0.000000  ?              ?         9.330577       0.8972833 ?              ?         
1 1 1 -17 27 1  f 34.43980 0.6095556 11.78058       0.4180845 13.07635       0.6264293 10.73979       0.5614197 3.386402       1.219111  
1 1 1 -17 27 2  o 61.34138 0.7941549 37.71218       0.9739798 37.20895       1.357073  38.24676       1.398701  -0.8410873     1.588310  
1 1 1 -17 27 3  o 31.82428 0.6085497 9.942430       0.3834585 11.79676       0.5936447 8.614794       0.5023108 4.991131       1.217099  
1 1 1 -17 27 4  f 41.69223 0.6575506 17.41317       0.5482885 17.34582       0.7730998 17.48132       0.7777148 -0.1620560     1.315101  
1 1 1 -17 27 5  o 59.34890 1.282632  35.29139       1.518756  38.23429       2.241834  32.79502       2.064766  4.549252       2.565264  
1 1 1 -17 27 6  o 30.56657 0.6202478 9.321175       0.3781740 8.437028       0.5184374 10.32662       0.5528584 -3.087835      1.240496  
1 1 1 -17 27 7  o 31.08517 0.6264377 9.671189       0.3892026 9.189828       0.5429651 10.17991       0.5581814 -1.591135      1.252875  
1 1 1 -17 27 8  o 34.76491 0.6364620 12.09415       0.4422421 12.43074       0.6396962 11.78600       0.6120679 0.9247131      1.272924  
1 1 1 -17 27 9  o 17.73014 0.6878760 3.169067       0.2422197 2.941185       0.3560706 3.365350       0.3304618 -1.198730      1.375752  
1 1 1 -17 27 10 o 5.976701 1.283061  0.3665112      0.1767565 0.1645764      0.2813569 0.4981717      0.2271851 -1.847675      2.566122  
1 1 1 -17 27 11 o 23.11986 0.6554066 5.317786       0.3014225 5.699151       0.4557110 5.021177       0.4018945 1.461052       1.310813  
1 1 1 -17 27 12 o 41.10966 0.6743677 16.90835       0.5538103 17.39530       0.8069552 16.47478       0.7614374 1.115086       1.348735  
1 1 1 -17 27 13 o 23.76809 0.6779014 5.620786       0.3210785 6.152192       0.4793547 5.188363       0.4324121 2.022894       1.355803  
1 1 1 -17 27 14 o 35.70625 0.6630183 12.77427       0.4734032 12.67604       0.6739308 12.86996       0.6651422 -0.2724113     1.326037  
1 1 1 -17 27 15 o 66.32121 0.8446364 44.11132       1.120205  44.51674       1.599508  43.72105       1.569340  0.5960541      1.689273  
1 1 1 -17 27 16 o 32.20916 0.6709409 10.39261       0.4319047 10.44322       0.6232933 10.34587       0.5990394 0.1486320      1.341882  
1 1 1 -17 27 17 o 37.93604 0.6856687 14.34710       0.5186568 12.94454       0.7073464 15.97806       0.7627678 -3.992252      1.371337  
1 1 1 -17 27 18 o 7.080368 1.471597  0.5287127      0.2283153 0.3223433      0.3703517 0.6552242      0.2899725 -1.651454      2.943194  
1 1 1 -17 27 19 o 46.60535 0.7245638 21.74917       0.6749730 20.86992       0.9368205 22.69830       0.9733383 -1.957127      1.449128  
1 1 1 -17 27 20 o 56.80791 0.7845374 32.34792       0.8908358 32.92586       1.286196  31.81505       1.235026  0.9707756      1.569075  
1 1 1 -17 27 21 f 19.86813 0.8435326 4.064278       0.3259602 3.104349       0.4745623 4.921651       0.4484961 -4.577156      1.687065  
1 1 1 -17 27 22 o 30.51146 0.7142048 9.365240       0.4342227 8.570813       0.6204758 10.12775       0.6078850 -2.552982      1.428410  
1 1 1 -17 27 23 o 39.50533 0.7164837 15.58162       0.5645127 16.49449       0.8374323 14.82131       0.7642592 2.108414       1.432967  
1 1 1 -17 27 24 o 10.89477 1.432245  1.328986       0.2907011 0.7952971      0.4490793 1.713918       0.3813911 -4.324109      2.864489  
1 1 1 -17 27 25 o 20.77537 0.8682120 4.327037       0.3604888 4.485865       0.5220199 4.182249       0.4984153 0.7270222      1.736424  
1 1 1 -17 27 26 o 24.38282 0.8412061 5.964382       0.4094503 6.476918       0.5869280 5.478468       0.5714814 2.045034       1.682412  
1 1 1 -17 27 27 o 57.23613 1.003028  32.92293       1.133384  33.04415       1.750081  32.83537       1.487450  0.1317062      2.006056  
1 1 1 -17 27 28 o 19.81834 1.079890  4.026931       0.4177686 3.553894       0.6425001 4.373417       0.5498813 -2.087147      2.159781  
1 1 1 -17 27 29 o 43.07008 0.9531602 18.67360       0.8196182 17.51693       1.164323  19.80981       1.153977  -2.663780      1.906320  
1 1 1 -17 27 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 27 31 o 35.45600 0.9460593 12.64521       0.6655325 12.61971       1.005984  12.66507       0.8875186 -0.8895493E-01 1.892119  
1 1 1 -17 27 32 o 14.22805 1.472328  2.023731       0.4077484 2.171859       0.6670569 1.935367       0.5152072 0.7818565      2.944656  
1 1 1 -17 27 33 o 35.07983 0.9782484 12.28358       0.6781235 12.98854       1.055113  11.78744       0.8851447 1.674770       1.956497  
1 1 1 -17 27 34 o 35.36959 0.9890947 12.47470       0.6910522 13.30552       1.078331  11.89569       0.9002023 1.952087       1.978189  
1 1 1 -17 27 35 o 17.84737 1.497839  3.569662       0.4694550 2.113003       0.7150481 4.673216       0.6223763 -7.385009      2.995677  
1 1 1 -17 27 36 o 25.56070 1.100073  6.590095       0.5545096 6.587649       0.8585882 6.591847       0.7262982 -0.4469299E-01 2.200146  
1 1 1 -17 27 37 o 26.68997 1.079404  7.111858       0.5666397 7.551193       0.8970252 6.820149       0.7309376 1.325827       2.158807  
1 1 1 -17 27 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 28 1  o 27.87576 1.436698  7.847717       0.8008543 7.705917       1.120694  7.995697       1.144851  -0.5136852     2.873396  
1 1 1 -17 28 2  o 75.29734 1.436942  57.18970       2.162295  59.59155       3.132676  55.00411       2.988322  3.010010       2.873883  
1 1 1 -17 28 3  o 39.02324 0.9779003 15.04940       0.6230820 15.73635       1.369217  14.86999       0.6997316 1.001163       1.955801  
1 1 1 -17 28 4  o 44.74996 1.098365  20.96080       0.9314332 23.29311       1.186568  17.21629       1.503477  6.847855       2.196730  
1 1 1 -17 28 5  o 56.32493 0.7618430 31.80466       0.8580205 31.38104       1.198072  32.25072       1.229382  -0.7679214     1.523686  
1 1 1 -17 28 6  o 11.32237 0.8346215 1.288270       0.1852230 1.276169       0.2918918 1.296427       0.2396550 -0.9687614E-01 1.669243  
1 1 1 -17 28 7  f 78.53871 0.9454843 61.71520       1.481019  58.97968       2.005926  64.99341       2.195898  -3.797821      1.890969  
1 1 1 -17 28 8  o 57.82487 0.7816688 33.37341       0.9013601 31.47880       1.219051  35.65843       1.338775  -3.598034      1.563338  
1 1 1 -17 28 9  o 10.83681 0.9922762 1.137428       0.2010907 1.720301       0.3217404 0.7637731      0.2576047 4.510532       1.984552  
1 1 1 -17 28 10 f 18.10393 0.7102606 3.247236       0.2550829 3.581728       0.3923116 3.002254       0.3357418 1.593481       1.420521  
1 1 1 -17 28 11 o 11.84522 0.9227080 1.368758       0.2153984 1.677065       0.3410572 1.164187       0.2778165 2.154798       1.845416  
1 1 1 -17 28 12 o 28.02669 0.6580470 7.881597       0.3682772 7.400624       0.5222690 8.357277       0.5193881 -1.707010      1.316094  
1 1 1 -17 28 13 o 67.42241 0.8597577 45.53260       1.157970  47.50525       1.688598  43.78141       1.590990  2.746864       1.719515  
1 1 1 -17 28 14 o 41.82442 0.6979032 17.51431       0.5834372 16.80465       0.8095550 18.28125       0.8415866 -1.761307      1.395806  
1 1 1 -17 28 15 o 9.167162 1.294348  0.8944018      0.2284153 0.6990160      0.3494295 1.040181       0.3018288 -2.007824      2.588696  
1 1 1 -17 28 16 o 42.56372 0.7061744 18.02089       0.5987933 16.26504       0.8077463 20.16299       0.8921781 -4.568451      1.412349  
1 1 1 -17 28 17 o 24.75014 0.7218411 6.175422       0.3540239 5.197653       0.4993097 7.163882       0.5020322 -3.971811      1.443682  
1 1 1 -17 28 18 o 33.06191 0.6984900 10.93176       0.4603184 9.732780       0.6355531 12.25473       0.6676062 -3.810024      1.396980  
1 1 1 -17 28 19 o 11.24098 1.277218  1.340419       0.2704076 1.023870       0.4039961 1.597334       0.3639583 -2.729119      2.554435  
1 1 1 -17 28 20 f 10.44523 1.362375  1.079304       0.2723577 1.805016       0.4261072 0.5780187      0.3541436 5.893289       2.724751  
1 1 1 -17 28 21 o 30.03753 0.7538300 9.039049       0.4523968 8.836914       0.6231848 9.264256       0.6577881 -0.7065296     1.507660  
1 1 1 -17 28 22 f 29.16064 0.7724792 8.483249       0.4490980 7.648968       0.6114567 9.460455       0.6617631 -3.098667      1.544958  
1 1 1 -17 28 23 o 14.35164 1.150558  2.066121       0.3272697 2.137687       0.5010568 2.012874       0.4321984 0.4193535      2.301117  
1 1 1 -17 28 24 o 36.77136 0.8824807 13.34858       0.6410863 15.05034       1.006491  12.18683       0.8316034 3.862919       1.764961  
1 1 1 -17 28 25 o 16.84693 1.105436  2.755643       0.3656547 3.568420       0.5821457 2.226032       0.4699206 3.959220       2.210872  
1 1 1 -17 28 26 o 49.99102 0.9838852 25.08599       0.9804287 25.69476       1.454250  24.57874       1.327477  1.090240       1.967770  
1 1 1 -17 28 27 o 23.80334 0.9893031 5.799120       0.4600137 5.165714       0.7083712 6.261034       0.6049230 -2.323063      1.978606  
1 1 1 -17 28 28 o 20.84431 1.060653  4.460970       0.4303083 3.946892       0.6679842 4.825627       0.5625929 -2.132359      2.121307  
1 1 1 -17 28 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 28 30 o 32.78361 0.9469420 10.86906       0.6164017 10.20930       0.9112273 11.42564       0.8369491 -1.870893      1.893884  
1 1 1 -17 28 31 o 29.91746 0.9702138 8.991469       0.5757161 9.118973       0.8748986 8.894094       0.7645783 0.3508949      1.940428  
1 1 1 -17 28 32 o 26.01172 1.012574  6.852378       0.5203302 6.549032       0.7905435 7.084240       0.6911479 -1.053310      2.025147  
1 1 1 -17 28 33 o 18.82552 1.256259  3.677994       0.4551276 3.189120       0.7221406 4.000142       0.5862070 -2.196167      2.512518  
1 1 1 -17 28 34 o 49.94910 1.033371  25.15714       1.031275  24.09188       1.467651  26.19607       1.449406  -2.110924      2.066742  
1 1 1 -17 28 35 o 40.80214 1.370232  0.000000       0.000000  ?              ?         16.75865       1.118168  ?              ?         
1 1 1 -17 29 1  o 16.24261 0.6873747 2.700573       0.2073820 1.521012       0.2826529 4.075907       0.3052091 -7.862101      1.374749  
1 1 1 -17 29 2  o 14.67416 0.6911810 2.107091       0.2002768 2.624398       0.3104610 1.738376       0.2621073 3.012835       1.382362  
1 1 1 -17 29 3  o 70.15223 1.246495  49.41116       1.748888  49.41116       1.748888  ?              ?         ?              ?         
1 1 1 -17 29 4  o 66.24288 0.9625597 44.47285       1.254831  46.50719       1.656754  41.73555       1.921795  3.647644       1.925119  
1 1 1 -17 29 5  o 65.19665 0.9494790 43.13372       1.222087  46.05215       1.638646  39.47609       1.834469  5.076645       1.898958  
1 1 1 -17 29 6  o 53.18114 0.8423860 28.06181       0.8664613 27.16352       1.086129  29.63411       1.436950  -2.269665      1.684772  
1 1 1 -17 29 7  o 58.21658 1.337214  34.04636       1.556960  34.04636       1.556960  ?              ?         ?              ?         
1 1 1 -17 29 8  o 54.47055 1.812926  29.91940       1.975021  29.91940       1.975021  ?              ?         ?              ?         
1 1 1 -17 29 9  o 93.94925 2.122006  89.49905       3.621393  88.39204       4.292852  92.23101       6.743837  -1.122307      4.244011  
1 1 1 -17 29 10 o 16.84926 1.715425  3.342889       0.3453810 2.420557       0.9622513 3.479285       0.3700387 -3.560012      3.430850  
1 1 1 -17 29 11 f 36.44269 0.7230116 13.32104       0.5239261 13.35888       0.7046773 13.27425       0.7834548 0.1264915      1.446023  
1 1 1 -17 29 12 o 5.318598 1.255501  0.1620399      0.2017085 -0.3288120     0.3113871 0.5169178      0.2647676 -3.426550      2.511002  
1 1 1 -17 29 13 f 28.12808 0.7225700 7.699695       0.4002091 6.584232       0.5144916 9.408805       0.6368480 -5.004461      1.445140  
1 1 1 -17 29 14 o 73.92438 1.120389  55.16551       1.645363  56.44496       2.217656  53.59875       2.454049  1.974777       2.240778  
1 1 1 -17 29 15 o 8.900620 1.391053  0.8237854      0.2388452 0.8882972      0.3685744 0.7770821      0.3136017 0.5850267      2.782107  
1 1 1 -17 29 16 f 18.57757 0.8531565 3.486513       0.3149612 3.194640       0.4589691 3.746301       0.4330084 -1.489031      1.706313  
1 1 1 -17 29 17 o 42.96906 0.8316733 18.46584       0.7109118 17.90606       0.9512213 19.17413       1.069988  -1.456093      1.663347  
1 1 1 -17 29 18 o 37.10230 0.8440487 13.81582       0.6241925 13.88294       0.9225418 13.75914       0.8476846 0.1542740      1.688097  
1 1 1 -17 29 19 o 53.42661 0.9856731 28.70403       1.052970  27.94444       1.487538  29.46687       1.490717  -1.424156      1.971346  
1 1 1 -17 29 20 o 21.84790 0.9123636 4.802852       0.3931724 4.753767       0.6068950 4.838352       0.5161270 -0.2102184     1.824727  
1 1 1 -17 29 21 o 82.16014 1.341128  67.90845       2.194795  71.53220       3.284813  64.98590       2.949938  3.890221       2.682256  
1 1 1 -17 29 22 o 36.28556 0.8784121 13.18956       0.6337944 13.58586       0.9547672 12.87734       0.8474416 0.9557343      1.756824  
1 1 1 -17 29 23 o 35.76943 0.8870902 12.85233       0.6311507 12.91435       0.9441242 12.80222       0.8486532 0.1378212      1.774180  
1 1 1 -17 29 24 o 51.16714 0.9879766 26.34570       1.009851  26.23901       1.462393  26.44296       1.396195  -0.2137833     1.975953  
1 1 1 -17 29 25 o 17.61165 1.089333  3.134092       0.3761229 3.075871       0.5906972 3.173795       0.4877900 -0.3026009     2.178665  
1 1 1 -17 29 26 o 48.84968 0.9848008 23.89208       0.9594119 21.64114       1.309312  26.50213       1.409890  -4.953167      1.969602  
1 1 1 -17 29 27 o 37.63272 0.9318996 14.28582       0.6991711 13.47426       1.010188  15.03205       0.9686729 -2.078651      1.863799  
1 1 1 -17 29 28 o 16.32960 1.253499  2.689021       0.4033910 2.729846       0.6283444 2.660398       0.5261306 0.1820011      2.506999  
1 1 1 -17 29 29 o 22.92196 1.058523  5.326224       0.4794037 5.083235       0.7275863 5.512652       0.6373066 -0.9605255     2.117047  
1 1 1 -17 29 30 o 14.85460 1.522223  2.418598       0.4110156 1.684467       0.6340587 2.950652       0.5397838 -4.495651      3.044446  
1 1 1 -17 29 31 f 16.02304 1.331281  2.578321       0.4200481 2.713142       0.6611212 2.487054       0.5439499 0.6675110      2.662562  
1 1 1 -17 29 32 o 47.83318 1.418565  0.000000       0.000000  ?              ?         23.04380       1.357089  ?              ?         
1 1 1 -17 30 1  o 40.65038 0.7668189 16.57637       0.6232623 16.05846       0.8722750 17.11659       0.8908712 -1.298454      1.533638  
1 1 1 -17 30 2  o 33.91129 1.020057  11.53528       0.6918290 11.53528       0.6918290 ?              ?         ?              ?         
1 1 1 -17 30 3  o 19.87278 0.6655639 3.858755       0.2611082 4.681001       0.4101445 3.298398       0.3385855 3.468775       1.331128  
1 1 1 -17 30 4  o 36.48358 0.7417863 13.19055       0.5371183 14.66574       0.8242759 12.10190       0.7080933 3.496021       1.483573  
1 1 1 -17 30 5  o 47.92706 0.8645102 22.81763       0.8225208 25.10240       1.260149  21.12169       1.085690  4.122169       1.729020  
1 1 1 -17 30 6  f 54.08313 0.9391881 29.23573       1.011702  31.12921       1.516315  27.71648       1.358229  3.124958       1.878376  
1 1 1 -17 30 7  o 17.85900 0.7558003 3.236643       0.2658798 2.949860       0.4018782 3.459883       0.3545711 -1.435089      1.511601  
1 1 1 -17 30 8  f 66.04143 1.095591  43.45977       1.435516  47.42426       2.204697  40.54202       1.891383  5.140911       2.191183  
1 1 1 -17 30 9  o 13.48179 0.9306266 1.887151       0.2414820 1.554094       0.3761336 2.120690       0.3149649 -2.112604      1.861253  
1 1 1 -17 30 10 o 22.42521 0.7545732 5.010486       0.3360711 5.330252       0.5120699 4.768540       0.4454219 1.242130       1.509146  
1 1 1 -17 30 11 o 31.63534 0.7605940 10.05562       0.4805551 9.583177       0.6859994 10.51086       0.6733910 -1.468191      1.521188  
1 1 1 -17 30 12 o 61.05997 1.043528  37.48362       1.273093  38.36801       1.849859  36.68783       1.754755  1.355106       2.087057  
1 1 1 -17 30 13 o 32.16923 0.7797123 10.17219       0.4958920 11.87199       0.7762825 9.000366       0.6445429 4.441442       1.559425  
1 1 1 -17 30 14 o 35.30865 0.8014477 12.37417       0.5619402 13.70766       0.8596174 11.37909       0.7425750 3.277058       1.602895  
1 1 1 -17 30 15 f 33.82999 0.8077657 11.32407       0.5418736 12.80130       0.8357005 10.25246       0.7117794 3.744961       1.615531  
1 1 1 -17 30 16 o 38.97880 1.227829  15.26588       0.9571857 15.26588       0.9571857 ?              ?         ?              ?         
1 1 1 -17 30 17 o 12.78947 1.827096  1.652935       0.4673519 1.652935       0.4673519 ?              ?         ?              ?         
1 1 1 -17 30 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 30 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 30 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 30 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 30 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 30 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 30 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 30 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 30 26 o 34.95692 1.978506  0.000000       0.000000  ?              ?         12.38842       1.383250  ?              ?         
1 1 1 -17 30 27 o 45.25842 2.042861  0.000000       0.000000  ?              ?         20.77812       1.849133  ?              ?         
1 1 1 -17 30 28 o 28.10901 2.089623  0.000000       0.000000  ?              ?         8.022386       1.174744  ?              ?         
1 1 1 -17 30 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 31 1  o 60.13572 1.426746  36.40210       1.715968  36.40210       1.715968  ?              ?         ?              ?         
1 1 1 -17 31 2  o 56.68981 0.9613798 32.32905       1.089950  32.29878       1.549068  32.35873       1.533889  -0.5619812E-01 1.922760  
1 1 1 -17 31 3  f 76.49829 1.223872  59.08059       1.872419  59.13803       2.659506  59.02414       2.636642  0.6810760E-01  2.447743  
1 1 1 -17 31 4  o 33.64253 0.7227222 11.27702       0.4838915 12.13084       0.7296221 10.60658       0.6465380 2.251846       1.445444  
1 1 1 -17 31 5  f 33.06488 0.7240252 10.97158       0.4783820 10.39305       0.6734389 11.56087       0.6796727 -1.764946      1.448050  
1 1 1 -17 31 6  o 51.93248 0.9155135 27.10293       0.9503871 27.40493       1.369762  26.82259       1.319734  0.5504227      1.831027  
1 1 1 -17 31 7  o 21.88100 0.7236007 4.831733       0.3144374 4.509991       0.4633398 5.106408       0.4281101 -1.368540      1.447201  
1 1 1 -17 31 8  o 28.74482 0.7407526 8.265104       0.4232749 7.068892       0.5817409 9.610791       0.6170176 -4.415672      1.481505  
1 1 1 -17 31 9  o 43.89758 0.8411961 19.15968       0.7333354 20.98753       1.120878  17.79174       0.9696643 3.611515       1.682392  
1 1 1 -17 31 10 o 10.52865 1.172645  1.161979       0.2318306 1.022127       0.3673567 1.254539       0.2988587 -1.280449      2.345290  
1 1 1 -17 31 11 o 24.07612 0.7557243 5.834188       0.3615429 5.662141       0.5384842 5.975404       0.4878546 -0.6591911     1.511449  
1 1 1 -17 31 12 o 24.65575 0.7838687 6.116412       0.3818809 4.937765       0.5298131 7.390878       0.5509279 -4.971004      1.567737  
1 1 1 -17 31 13 o 58.19927 1.013373  33.83476       1.172735  36.46918       1.777813  31.80534       1.560376  3.956291       2.026746  
1 1 1 -17 31 14 o 13.63422 1.035408  1.841426       0.2780110 2.042193       0.4412270 1.709242       0.3580194 1.201086       2.070817  
1 1 1 -17 31 15 o 41.14218 0.8556664 17.01703       0.7037157 16.49951       0.9995977 17.52555       0.9908683 -1.248684      1.711333  
1 1 1 -17 31 16 o 36.66278 0.8275191 13.47496       0.6053493 13.89716       0.8925076 13.11526       0.8238006 1.052860       1.655038  
1 1 1 -17 31 17 o 34.40079 0.8303987 11.91069       0.5703194 11.32874       0.8166985 12.46460       0.7967772 -1.654915      1.660797  
1 1 1 -17 31 18 o 50.32793 0.9541079 25.42397       0.9590901 23.89439       1.319344  27.13811       1.396674  -3.204319      1.908216  
1 1 1 -17 31 19 o 30.40565 0.8424988 9.206068       0.5079545 9.925560       0.7812692 8.679221       0.6685438 2.025576       1.684998  
1 1 1 -17 31 20 o 4.767905 1.496753  -0.1204993     0.2775637 -0.2196764     0.4600653 -0.6374073E-01 0.3480405 0.3271365      2.993506  
1 1 1 -17 31 21 o 24.18870 0.9292684 5.713412       0.4409480 6.783855       0.7137611 5.052716       0.5607527 3.543209       1.858537  
1 1 1 -17 31 22 o 19.79660 0.9910750 3.858243       0.3852705 4.398069       0.6196431 3.518030       0.4919145 2.191780       1.982150  
1 1 1 -17 31 23 o 36.63178 0.9037018 13.52854       0.6589942 13.11600       0.9716271 13.87998       0.8967828 -1.059452      1.807404  
1 1 1 -17 31 24 o 30.81574 1.245762  0.000000       0.000000  ?              ?         9.549073       0.7677813 ?              ?         
1 1 1 -17 32 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 32 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -17 32 3  o 9.942519 1.151655  0.000000       0.000000  ?              ?         0.9930950      0.2290071 ?              ?         
1 1 1 -17 32 4  f 60.04102 1.010277  36.30003       1.212837  36.56862       1.738051  36.04510       1.693247  0.4247818      2.020554  
1 1 1 -17 32 5  o 22.07124 0.7066035 4.914927       0.3095175 4.639830       0.4594865 5.143446       0.4187867 -1.147991      1.413207  
1 1 1 -17 32 6  o 29.59741 0.7275046 8.800956       0.4291545 7.885333       0.6016902 9.749096       0.6122808 -3.146612      1.455009  
1 1 1 -17 32 7  o 63.46247 1.063838  40.46679       1.347752  38.53823       1.838494  42.70718       1.981553  -3.246681      2.127676  
1 1 1 -17 32 8  o 23.04000 0.7396736 5.201245       0.3361974 6.137276       0.5316858 4.577658       0.4339686 3.366579       1.479347  
1 1 1 -17 32 9  f 12.76399 1.002586  1.714292       0.2441142 1.316418       0.3777233 1.999668       0.3198971 -2.690344      2.005172  
1 1 1 -17 32 10 o 57.39049 0.9982190 33.02134       1.141555  34.79303       1.704127  31.57916       1.537505  2.758842       1.996438  
1 1 1 -17 32 11 o 41.27403 0.8390880 16.89483       0.6862916 18.75013       1.061562  15.56259       0.8995585 3.827934       1.678176  
1 1 1 -17 32 12 o 33.25662 0.7854183 11.12167       0.5213814 10.84239       0.7557563 11.37531       0.7202162 -0.8080597     1.570837  
1 1 1 -17 32 13 o 13.60631 1.160877  2.034041       0.2816833 1.234014       0.4205693 2.684882       0.3793348 -5.482751      2.321753  
1 1 1 -17 32 14 o 19.99667 0.8428775 3.875313       0.3310415 4.959696       0.5286602 3.175839       0.4245913 4.438980       1.685755  
1 1 1 -17 32 15 o 32.00454 0.7990606 10.19200       0.5079535 11.09009       0.7753963 9.516870       0.6722946 2.437563       1.598121  
1 1 1 -17 32 16 o 29.80495 0.8072064 8.724785       0.4742469 10.10944       0.7526189 7.812926       0.6107568 3.824059       1.614413  
1 1 1 -17 32 17 f 6.558143 1.658495  0.3789310      0.2738468 0.2972834      0.4406616 0.4303020      0.3495361 -0.2445631     3.316991  
1 1 1 -17 32 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  1  o 130.7312 1.977332  171.1911       5.164385  170.0004       7.254475  172.4145       7.353623  -0.000000      0.000000  
1 1 1 -16 0  2  o 119.4077 1.826436  142.7674       4.355856  140.6413       6.067777  145.0280       6.256793  -0.000000      0.000000  
1 1 1 -16 0  3  o 98.62392 1.532229  97.42828       3.019028  97.45384       4.263342  97.40258       4.275785  -0.000000      0.000000  
1 1 1 -16 0  4  o 370.5653 5.462429  1376.538       40.39352  1339.966       55.48088  1417.791       58.92466  -0.000000      0.000000  
1 1 1 -16 0  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  7  o 155.9895 2.340637  243.7625       7.294835  242.3827       10.27812  245.1631       10.35522  -0.000000      0.000000  
1 1 1 -16 0  8  o 195.3132 2.902720  382.1637       11.32534  377.8942       15.82643  386.6444       16.21347  -0.000000      0.000000  
1 1 1 -16 0  9  o 41.61990 0.8308368 17.36138       0.6903030 17.11963       0.9682196 17.61129       0.9844545 -0.000000      0.000000  
1 1 1 -16 0  10 o 121.3698 1.847623  147.5316       4.479755  146.0520       6.277003  149.0675       6.395313  -0.000000      0.000000  
1 1 1 -16 0  11 f 336.3273 4.958474  1133.669       33.28209  1165.075       48.48874  1105.693       45.76522  -0.000000      0.000000  
1 1 1 -16 0  12 o 35.66859 0.9828866 13.11644       0.6794996 10.15362       0.9938661 15.71694       0.9311152 -0.000000      0.000000  
1 1 1 -16 0  13 o 58.49763 1.010844  34.20065       1.179179  35.72610       1.728423  32.87247       1.612798  -0.000000      0.000000  
1 1 1 -16 0  14 o 195.7426 2.909681  383.9279       11.37807  387.6307       16.25948  380.3746       15.92769  -0.000000      0.000000  
1 1 1 -16 0  15 o 203.1938 3.018990  413.8213       12.25657  415.3655       17.38958  412.2968       17.27777  -0.000000      0.000000  
1 1 1 -16 0  16 f 164.7789 2.466460  272.0705       8.120257  271.9925       11.46476  272.1489       11.50289  -0.000000      0.000000  
1 1 1 -16 0  17 o 280.7001 4.150101  790.2163       23.26926  779.1192       32.44095  801.9758       33.39520  -0.000000      0.000000  
1 1 1 -16 0  18 o 20.70364 0.8320384 4.294856       0.3407936 3.953300       0.4576396 4.720056       0.5106093 -0.000000      0.000000  
1 1 1 -16 0  19 o 107.6962 1.664630  116.1007       3.579819  113.6549       4.966317  118.7458       5.164770  -0.000000      0.000000  
1 1 1 -16 0  20 f 251.5929 3.722358  634.7628       18.71143  637.6959       26.59761  631.8888       26.32837  -0.000000      0.000000  
1 1 1 -16 0  21 o 19.14677 0.9454386 3.725103       0.3578534 3.843441       0.4974717 3.598204       0.5151537 -0.000000      0.000000  
1 1 1 -16 0  22 o 151.7641 2.291162  230.7088       6.945618  227.3986       9.695042  234.1991       9.955302  -0.000000      0.000000  
1 1 1 -16 0  23 o 177.6726 2.654686  316.3777       9.423809  317.1392       13.36571  315.6249       13.28917  -0.000000      0.000000  
1 1 1 -16 0  24 f 176.3057 2.638774  311.5374       9.295275  312.2254       13.17474  310.8555       13.11646  -0.000000      0.000000  
1 1 1 -16 0  25 o 71.94409 1.196904  51.67731       1.715809  49.46836       2.328976  54.29941       2.537448  -0.000000      0.000000  
1 1 1 -16 0  26 o 155.0273 2.332556  240.8145       7.223874  238.5742       10.11415  243.1475       10.32119  -0.000000      0.000000  
1 1 1 -16 0  27 o 159.3163 2.393836  254.3795       7.619658  253.3407       10.72773  255.4371       10.82457  -0.000000      0.000000  
1 1 1 -16 0  28 o 162.2513 2.442381  263.1447       7.900325  253.5180       10.75339  274.4347       11.64533  -0.000000      0.000000  
1 1 1 -16 0  29 o 162.0748 2.436090  263.3099       7.888301  264.6273       11.21718  262.0209       11.09531  -0.000000      0.000000  
1 1 1 -16 0  30 o 9.843181 2.057599  1.216756       0.3628326 0.8910641      0.5120435 1.545209       0.5142090 -0.000000      0.000000  
1 1 1 -16 0  31 o 96.58243 1.529706  93.47097       2.951548  93.14767       4.168931  93.79588       4.179326  -0.000000      0.000000  
1 1 1 -16 0  32 o 167.0046 2.509516  279.7173       8.373451  278.8243       11.80195  280.6225       11.88216  -0.000000      0.000000  
1 1 1 -16 0  33 o 86.08720 1.392248  74.14435       2.391337  71.90540       3.284203  76.67093       3.488783  -0.000000      0.000000  
1 1 1 -16 0  34 o 145.7582 2.211231  212.9113       6.435055  217.7298       9.310657  208.5044       8.904039  -0.000000      0.000000  
1 1 1 -16 0  35 o 129.8914 2.813097  169.2109       7.300311  169.2109       7.300311  169.2109       7.300311  -0.000000      0.000000  
1 1 1 -16 0  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  40 o 60.18110 1.557314  36.31948       1.871637  36.31948       1.871637  36.31948       1.871637  -0.000000      0.000000  
1 1 1 -16 0  41 o 34.25597 1.331381  11.79533       0.9091600 11.79533       0.9091600 11.79533       0.9091600 -0.000000      0.000000  
1 1 1 -16 0  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  43 o 10.81616 2.065044  1.400181       0.3853224 1.418995       0.5473512 1.381696       0.5425369 -0.000000      0.000000  
1 1 1 -16 0  44 o 4.152880 1.866460  0.8338847E-02  0.3444073 -0.2660384     0.4949165 0.2659711      0.4795765 -0.000000      0.000000  
1 1 1 -16 0  45 f 16.69636 1.299363  2.855751       0.4293387 2.381219       0.5992159 3.356364       0.6154632 -0.000000      0.000000  
1 1 1 -16 0  46 f 14.83096 1.474549  2.315295       0.4175485 2.094708       0.5846189 2.544990       0.5965678 -0.000000      0.000000  
1 1 1 -16 0  47 o 16.84585 1.348075  2.951095       0.4426722 3.247974       0.6352915 2.670913       0.6171679 -0.000000      0.000000  
1 1 1 -16 0  48 o 75.34738 1.301781  56.98280       1.958340  57.96256       2.817672  56.06728       2.723737  -0.000000      0.000000  
1 1 1 -16 0  49 o 70.92464 1.259496  50.40002       1.780951  52.42317       2.614091  48.64754       2.432945  -0.000000      0.000000  
1 1 1 -16 0  50 o 26.18062 1.108795  6.941077       0.5762351 6.861586       0.8122874 7.021607       0.8175772 -0.000000      0.000000  
1 1 1 -16 0  51 o 64.36765 1.199419  41.62431       1.541660  41.21657       2.176803  42.03463       2.183687  -0.000000      0.000000  
1 1 1 -16 0  52 o 62.88708 1.189942  39.66578       1.492107  41.05383       2.182107  38.44682       2.044887  -0.000000      0.000000  
1 1 1 -16 0  53 f 37.40137 1.061855  14.05655       0.7906016 14.77296       1.151995  13.41871       1.086993  -0.000000      0.000000  
1 1 1 -16 0  54 o 37.83478 1.067208  14.41495       0.8043328 14.47113       1.157536  14.36250       1.118467  -0.000000      0.000000  
1 1 1 -16 0  55 o 27.75455 1.143499  7.801619       0.6301137 8.011573       0.9012485 7.600850       0.8813166 -0.000000      0.000000  
1 1 1 -16 0  56 o 54.70402 1.157705  30.10789       1.263942  29.52872       1.787273  30.68734       1.787695  -0.000000      0.000000  
1 1 1 -16 0  57 o 35.52980 1.630322  12.74619       1.153269  12.74619       1.153269  12.74619       1.153269  -0.000000      0.000000  
1 1 1 -16 0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 1  1  o 75.79837 0.8641753 57.41086       1.309276  58.89911       1.891987  56.04324       1.813687  1.883385       1.728351  
1 1 1 -16 1  2  o 70.00204 0.8093939 48.97353       1.132583  50.04757       1.634315  47.98112       1.570990  1.475647       1.618788  
1 1 1 -16 1  3  o 128.2994 1.370336  164.6623       3.516239  165.0398       4.984305  164.2884       4.961200  0.2926178      2.740672  
1 1 1 -16 1  4  o 131.2130 1.399719  172.1924       3.672600  174.1030       5.252483  170.3649       5.137118  1.423401       2.799438  
1 1 1 -16 1  5  o 121.8711 1.312143  147.9791       3.187632  141.7710       4.302954  155.5298       4.745444  -5.641197      2.624287  
1 1 1 -16 1  6  o 270.2074 2.815270  731.1330       15.21413  730.8709       21.50199  731.3957       21.53009  -0.9658813E-01 5.630540  
1 1 1 -16 1  7  o 315.2693 3.280122  995.7925       20.68202  992.2898       29.13802  999.3491       29.36083  -1.115021      6.560244  
1 1 1 -16 1  8  o 64.53423 0.7701443 40.89057       0.9817722 37.09039       1.272663  46.47601       1.542908  -7.270531      1.540289  
1 1 1 -16 1  9  o 65.62801 1.097459  42.98750       1.438241  41.51996       1.968500  44.66795       2.106461  -2.397400      2.194919  
1 1 1 -16 1  10 o 317.8444 3.307271  1010.241       20.98770  980.1095       28.69231  1044.917       30.77970  -10.15054      6.614542  
1 1 1 -16 1  11 o 126.9910 1.359406  161.2199       3.450877  164.3696       4.977055  158.3038       4.788934  2.386597       2.718813  
1 1 1 -16 1  12 o 141.6841 1.506022  199.9009       4.251159  190.9062       5.719062  211.0080       6.355226  -7.087387      3.012043  
1 1 1 -16 1  13 o 124.4969 1.334442  154.4921       3.312893  162.0157       4.916992  148.2373       4.483264  5.529579       2.668884  
1 1 1 -16 1  14 o 261.1462 2.723548  682.6487       14.21819  671.3889       19.74807  694.7673       20.48742  -4.461243      5.447097  
1 1 1 -16 1  15 o 169.3950 1.785879  287.1024       6.049600  289.7092       8.638849  284.5939       8.474374  1.507599       3.571759  
1 1 1 -16 1  16 o 97.59893 1.070657  95.18240       2.088209  92.99088       2.884090  97.59724       3.027471  -2.358627      2.141315  
1 1 1 -16 1  17 o 284.8457 2.968248  812.8452       16.90705  821.2885       24.17509  804.7623       23.65380  2.888397       5.936497  
1 1 1 -16 1  18 o 226.3413 2.367033  512.9502       10.71514  512.5065       15.13996  513.3954       15.16705  -0.1958923     4.734066  
1 1 1 -16 1  19 o 121.4925 1.306881  147.6202       3.174820  145.8828       4.434173  149.4478       4.547728  -1.466019      2.613761  
1 1 1 -16 1  20 o 248.3880 2.592920  617.2435       12.86956  603.5540       17.75801  632.3870       18.67737  -5.785324      5.185839  
1 1 1 -16 1  21 f 30.28407 0.5944720 8.944208       0.3554674 11.08571       0.5533409 7.439479       0.4638341 6.019613       1.188944  
1 1 1 -16 1  22 o 164.5770 1.740558  270.9926       5.728044  267.8566       8.007731  274.2786       8.196937  -1.948196      3.481116  
1 1 1 -16 1  23 f 185.0473 1.946991  342.7362       7.205322  340.8431       10.12754  344.6767       10.25335  -1.033630      3.893982  
1 1 1 -16 1  24 o 211.6669 2.219079  448.4296       9.390856  455.2528       13.49508  442.0233       13.07617  3.116364       4.438158  
1 1 1 -16 1  25 o 128.1759 1.377301  164.2946       3.529289  161.6260       4.907362  167.1535       5.079419  -2.153877      2.754603  
1 1 1 -16 1  26 o 29.76320 0.6134531 8.777344       0.3631318 10.17811       0.5414570 7.632276       0.4895491 4.276489       1.226906  
1 1 1 -16 1  27 o 210.5895 2.209265  444.1560       9.304894  443.2540       13.13041  445.0659       13.18799  -0.4287872     4.418529  
1 1 1 -16 1  28 o 53.70745 0.7122858 28.60718       0.7611055 31.21420       1.150523  26.57850       1.014917  4.314560       1.424572  
1 1 1 -16 1  29 o 184.0868 1.941201  339.3112       7.146288  341.9723       10.19229  336.7381       10.02260  1.417374       3.882403  
1 1 1 -16 1  30 o 126.9913 1.688368  159.6068       3.975024  166.3863       7.182322  156.6133       4.772595  3.788116       3.376736  
1 1 1 -16 1  31 o 86.85813 1.273938  75.57586       2.174576  75.08343       3.402043  75.91605       2.827640  -0.4910431     2.547876  
1 1 1 -16 1  32 o 233.4537 3.471777  547.5167       16.18903  563.6419       23.62279  533.2368       22.23013  6.425446       6.943554  
1 1 1 -16 1  33 o 61.70527 1.088887  37.80950       1.337368  35.23615       1.787562  41.08110       2.015544  -4.730911      2.177773  
1 1 1 -16 1  34 o 110.3281 1.711756  121.8127       3.773392  125.1628       5.484413  118.8014       5.199726  2.871422       3.423511  
1 1 1 -16 1  35 o 127.5306 1.706854  159.8371       3.997682  155.2235       4.753214  170.9888       7.389974  -6.059395      3.413707  
1 1 1 -16 1  36 o 83.41098 1.173886  69.67321       1.850136  69.69977       2.271082  69.62082       3.190147  0.8121490E-01  2.347772  
1 1 1 -16 1  37 o 68.20427 0.8314016 46.41228       1.131846  48.65887       1.665981  44.48642       1.542487  3.055290       1.662803  
1 1 1 -16 1  38 o 111.1463 1.221835  123.7134       2.715597  125.0982       3.883386  122.3883       3.798876  1.215012       2.443671  
1 1 1 -16 1  39 o 110.8466 1.220888  122.8358       2.702040  127.4656       3.962742  118.8128       3.693927  3.888405       2.441775  
1 1 1 -16 1  40 o 112.1321 1.525017  124.4021       3.160784  121.7067       3.783449  130.6301       5.750999  -3.839409      3.050034  
1 1 1 -16 1  41 o 40.47162 0.8868997 16.35745       0.7062736 16.17438       0.9173858 16.62387       1.106677  -0.5466690     1.773799  
1 1 1 -16 1  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 1  43 o 97.43819 1.562105  95.30746       3.043443  94.15214       4.248645  96.52511       4.361740  -1.207077      3.124209  
1 1 1 -16 1  44 o 63.32095 1.147714  40.10767       1.451151  38.66488       1.984979  41.76403       2.126831  -2.435841      2.295428  
1 1 1 -16 1  45 o 57.42714 1.095585  33.04419       1.257782  32.60429       1.748762  33.51563       1.810383  -0.7886658     2.191170  
1 1 1 -16 1  46 o 87.59067 1.233596  78.05468       2.082702  72.80820       3.373851  81.28487       2.647316  -4.910759      2.467193  
1 1 1 -16 1  47 o 53.40500 0.7532780 28.55657       0.8045049 28.10905       1.129262  29.01778       1.146415  -0.8496361     1.506556  
1 1 1 -16 1  48 o 29.73410 0.7222989 8.820813       0.4286459 9.621755       0.6272133 8.118897       0.5871606 2.524229       1.444598  
1 1 1 -16 1  49 o 39.08058 0.7107878 15.25347       0.5547401 16.12074       0.8116565 14.49320       0.7599371 2.078384       1.421576  
1 1 1 -16 1  50 o 43.46707 0.7300273 18.88486       0.6339318 19.92268       0.9226346 17.95677       0.8724949 2.257122       1.460055  
1 1 1 -16 1  51 o 34.88191 0.7281246 12.18049       0.5077288 11.69718       0.7073008 12.69430       0.7292774 -1.427242      1.456249  
1 1 1 -16 1  52 o 24.61872 0.8201770 6.064860       0.4033540 5.676729       0.5579647 6.489719       0.5837672 -1.648294      1.640354  
1 1 1 -16 1  53 o 52.78403 0.7857841 27.79149       0.8273044 26.01881       1.121112  29.91091       1.225863  -3.675064      1.571568  
1 1 1 -16 1  54 f 35.86235 0.7571093 12.89002       0.5429935 13.07780       0.7733597 12.70744       0.7625716 0.5151596      1.514219  
1 1 1 -16 1  55 o 68.27803 0.8874416 46.68866       1.210005  48.62992       1.771873  44.99223       1.656372  2.646667       1.774883  
1 1 1 -16 1  56 o 37.52303 0.7788705 14.10775       0.5842087 14.64085       0.8421554 13.61324       0.8111106 1.365047       1.557741  
1 1 1 -16 1  57 o 18.18442 1.483266  3.477719       0.5174581 2.683891       0.7898960 4.074501       0.6848804 -3.851200      2.966533  
1 1 1 -16 1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 2  1  o 70.09689 0.8114679 49.13353       1.137467  48.65116       1.592599  49.63581       1.625138  -0.7021713     1.622936  
1 1 1 -16 2  2  o 149.3585 1.581385  222.0625       4.703973  234.9646       7.050909  211.7141       6.314663  7.775467       3.162770  
1 1 1 -16 2  3  o 103.1942 1.122336  106.3697       2.313819  109.4831       3.368737  103.5892       3.183577  2.854355       2.244672  
1 1 1 -16 2  4  o 133.0621 1.418326  177.0526       3.773335  174.5327       5.257967  179.7284       5.418243  -1.950912      2.836652  
1 1 1 -16 2  5  o 139.3806 1.481775  194.1916       4.127844  198.3784       5.970150  190.3570       5.713602  2.875061       2.963551  
1 1 1 -16 2  6  o 72.46753 0.8329296 52.21391       1.202010  49.40038       1.611807  55.73925       1.804216  -4.372566      1.665859  
1 1 1 -16 2  7  o 172.9756 1.820406  299.3826       6.297693  298.8719       8.890738  299.8969       8.921909  -0.2959137     3.640813  
1 1 1 -16 2  8  o 122.9483 1.318181  151.1828       3.240905  152.7700       4.630607  149.6588       4.537475  1.264473       2.636362  
1 1 1 -16 2  9  o 51.09073 0.6611385 25.35172       0.6631802 22.38429       0.8450013 30.11105       1.070138  -7.560837      1.322277  
1 1 1 -16 2  10 f 176.7440 2.014841  311.5078       7.011610  318.8518       10.98088  306.4522       9.110745  3.483017       4.029682  
1 1 1 -16 2  11 o 242.8351 2.929105  589.9422       14.21110  575.8679       19.57257  605.6348       20.66714  -6.107300      5.858211  
1 1 1 -16 2  12 o 136.9687 1.457904  187.2361       3.985865  194.4794       5.861943  181.0076       5.435868  4.913483       2.915808  
1 1 1 -16 2  13 o 303.4857 3.159850  920.9851       19.14449  892.7639       26.14908  953.5869       28.10545  -9.975830      6.319700  
1 1 1 -16 2  14 o 199.7175 2.094245  398.7237       8.355827  409.7508       12.16538  388.8754       11.49679  5.215668       4.188491  
1 1 1 -16 2  15 o 145.5959 1.547442  212.0841       4.505849  210.9855       6.338554  213.2064       6.406454  -0.7618866     3.094883  
1 1 1 -16 2  16 o 143.6119 1.525681  205.5335       4.367697  216.0391       6.500948  196.8897       5.896857  6.659637       3.051363  
1 1 1 -16 2  17 o 30.12679 0.5540447 9.074214       0.3337828 9.262775       0.4767012 8.892851       0.4675132 0.6139050      1.108089  
1 1 1 -16 2  18 o 299.4694 3.119072  898.3586       18.67400  885.0010       25.97759  912.6422       26.86269  -4.593231      6.238144  
1 1 1 -16 2  19 o 178.5437 1.881172  318.8363       6.713939  313.4694       9.317314  324.6328       9.683134  -3.120895      3.762343  
1 1 1 -16 2  20 o 353.4974 3.681138  1251.656       25.99408  1219.949       35.72825  1287.313       37.88919  -9.465149      7.362276  
1 1 1 -16 2  21 o 90.13770 1.008555  81.21584       1.817285  82.84542       2.620045  79.70500       2.522773  1.741196       2.017109  
1 1 1 -16 2  22 o 101.4011 1.112389  102.7557       2.254267  100.4655       3.116303  105.2697       3.264916  -2.367432      2.224777  
1 1 1 -16 2  23 o 109.4178 1.192920  118.8242       2.594176  111.8937       3.444502  127.9072       3.943322  -7.312164      2.385840  
1 1 1 -16 2  24 o 16.49931 0.7436434 2.720793       0.2449210 2.752120       0.3585588 2.693390       0.3353463 0.1778107      1.487287  
1 1 1 -16 2  25 o 141.0710 1.507195  197.2834       4.220185  185.0627       5.571500  213.7327       6.463931  -10.14795      3.014390  
1 1 1 -16 2  26 o 162.6565 2.124367  261.5933       6.392513  273.6858       11.60505  256.3260       7.659268  5.247940       4.248733  
1 1 1 -16 2  27 o 176.9464 2.641982  313.2299       9.335550  304.1812       12.78694  323.5585       13.66132  -5.449524      5.283965  
1 1 1 -16 2  28 o 111.5461 1.719095  124.4769       3.833516  122.1908       5.327510  126.9316       5.520458  -2.121033      3.438190  
1 1 1 -16 2  29 o 141.7000 2.140460  200.8184       6.058123  207.0697       8.843186  195.2902       8.316050  4.141434       4.280920  
1 1 1 -16 2  30 o 23.86056 0.9247810 5.693312       0.4411730 5.901896       0.6299175 5.492496       0.6180766 0.8577347      1.849562  
1 1 1 -16 2  31 o 189.1641 2.447076  358.0858       8.701467  356.6787       10.61592  360.9666       15.18985  -0.9535522     4.894153  
1 1 1 -16 2  32 o 70.37949 0.8436096 49.52316       1.187028  50.56185       1.706981  48.55055       1.651799  1.428032       1.687219  
1 1 1 -16 2  33 o 106.9967 1.178039  114.5776       2.520867  114.9677       3.579386  114.1937       3.550873  0.3609314      2.356077  
1 1 1 -16 2  34 o 91.44845 1.031116  83.38261       1.880698  79.80298       2.547988  87.66698       2.787544  -4.293747      2.062232  
1 1 1 -16 2  35 o 31.66992 0.6353756 10.02613       0.4022867 10.27945       0.5789645 9.789651       0.5593794 0.7729359      1.270751  
1 1 1 -16 2  36 o 64.68210 0.8011697 41.80169       1.035378  43.16168       1.506037  40.58283       1.425751  1.991402       1.602339  
1 1 1 -16 2  37 o 238.3677 2.508506  571.5458       11.95660  577.8202       17.11207  565.5605       16.71337  2.537170       5.017012  
1 1 1 -16 2  38 o 54.39034 0.7308814 29.57656       0.7947013 28.77152       1.103953  30.44248       1.144921  -1.534874      1.461763  
1 1 1 -16 2  39 o 93.60117 1.057392  87.48941       1.975140  91.32184       2.911684  84.22268       2.688221  3.781624       2.114783  
1 1 1 -16 2  40 o 51.18656 0.7120260 26.16310       0.7280645 25.08238       1.000432  27.37993       1.061562  -2.242214      1.424052  
1 1 1 -16 2  41 o 88.15162 1.012118  77.40024       1.777287  73.35112       2.387743  82.43064       2.661391  -5.135498      2.024235  
1 1 1 -16 2  42 o 63.96741 0.8103163 40.94688       1.036449  41.56720       1.484851  40.35748       1.447387  0.9439049      1.620633  
1 1 1 -16 2  43 o 93.81680 1.066916  88.16441       2.001486  87.03586       2.796561  89.34951       2.865764  -1.228561      2.133831  
1 1 1 -16 2  44 o 49.65799 0.7190335 24.62938       0.7132809 23.50993       0.9805272 25.88758       1.039519  -2.391056      1.438067  
1 1 1 -16 2  45 o 24.72980 0.8110463 6.249816       0.3927089 7.351108       0.5394546 5.008204       0.5727918 4.738914       1.622093  
1 1 1 -16 2  46 o 70.01524 1.074136  48.59936       1.397284  47.68542       1.680794  50.64410       2.514056  -2.040268      2.148271  
1 1 1 -16 2  47 o 52.69787 1.065695  27.85122       1.123178  27.90995       1.584808  27.79196       1.592044  0.1126480      2.131390  
1 1 1 -16 2  48 o 35.19700 1.003027  12.42763       0.7058324 12.57633       0.9891664 12.27336       1.007481  0.4322739      2.006053  
1 1 1 -16 2  49 o 92.38438 1.520813  85.94534       2.809900  85.74094       3.956326  86.15338       3.991504  -0.2174835     3.041625  
1 1 1 -16 2  50 o 20.42687 1.228342  4.192407       0.5014058 3.962513       0.7027039 4.430859       0.7156634 -1.144531      2.456683  
1 1 1 -16 2  51 o 23.87078 1.104007  5.796068       0.5160629 5.325262       0.7974914 6.135247       0.6768938 -1.713470      2.208014  
1 1 1 -16 2  52 o 46.85289 0.9225351 22.63292       0.8307123 19.54349       1.321932  24.64911       1.067913  -5.479660      1.845070  
1 1 1 -16 2  53 o 53.39430 0.7905077 28.57986       0.8440933 28.72335       1.203193  28.44080       1.184484  0.2624664      1.581015  
1 1 1 -16 2  54 o 26.38371 0.8193417 6.981604       0.4322474 7.027674       0.6060511 6.933906       0.6166676 0.1789989      1.638683  
1 1 1 -16 2  55 o 33.67678 0.7769027 11.31251       0.5212127 12.82877       0.7662433 10.00678       0.7110585 4.182543       1.553805  
1 1 1 -16 2  56 o 24.11971 0.8951752 5.838539       0.4310979 5.387398       0.6022715 6.312532       0.6173366 -1.915424      1.790350  
1 1 1 -16 2  57 o 41.02708 1.080332  16.84535       0.8809581 17.70661       1.334712  16.18050       1.172682  1.827568       2.160663  
1 1 1 -16 2  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 3  1  o 217.9541 2.279443  474.2722       9.913337  457.8064       13.48260  493.6502       14.62629  -8.203400      4.558887  
1 1 1 -16 3  2  o 123.0153 1.317515  151.3619       3.241168  150.0919       4.545369  152.6757       4.623027  -1.049469      2.635029  
1 1 1 -16 3  3  o 270.6833 2.821938  732.6817       15.25617  712.8588       20.93156  755.1465       22.28274  -7.784607      5.643877  
1 1 1 -16 3  4  o 263.3146 2.745809  694.3586       14.46023  694.3977       20.45623  694.3196       20.44349  0.1458740E-01  5.491619  
1 1 1 -16 3  5  o 211.0583 2.209560  445.3393       9.317661  434.6481       12.83858  457.2378       13.54403  -5.340988      4.419121  
1 1 1 -16 3  6  o 321.0640 3.340227  1031.742       21.42576  1058.919       31.16991  1007.399       29.50018  7.985901       6.680453  
1 1 1 -16 3  7  o 101.6102 1.110527  103.1730       2.255041  100.9593       3.115852  105.6078       3.267791  -2.286301      2.221053  
1 1 1 -16 3  8  o 202.0970 2.119406  407.9047       8.550713  422.5328       12.55667  395.2559       11.67633  6.735947       4.238811  
1 1 1 -16 3  9  o 85.53240 0.9591379 73.16006       1.640472  73.72748       2.345108  72.61634       2.295638  0.6492157      1.918276  
1 1 1 -16 3  10 o 141.8157 1.506547  200.9790       4.269080  206.2357       6.199780  196.2391       5.887129  3.521240       3.013095  
1 1 1 -16 3  11 o 251.6046 2.624608  633.9103       13.20701  631.7280       18.60805  636.1255       18.74780  -0.8712921     5.249216  
1 1 1 -16 3  12 f 110.8056 1.703023  122.6510       3.769238  126.6550       5.501334  119.1084       5.174666  3.401245       3.406046  
1 1 1 -16 3  13 f 216.1247 2.262772  467.5391       9.779522  471.8161       13.96715  463.4258       13.69745  1.936478       4.525545  
1 1 1 -16 3  14 f 268.3878 2.798514  721.1454       15.01415  709.0115       20.84088  734.2379       21.64857  -4.681915      5.597027  
1 1 1 -16 3  15 o 214.9413 2.249911  461.6587       9.656460  477.1728       14.14381  448.1133       13.21595  6.743088       4.499822  
1 1 1 -16 3  16 o 93.82973 1.037822  87.94468       1.945482  90.47440       2.831305  85.68189       2.677765  2.552536       2.075643  
1 1 1 -16 3  17 o 182.6947 1.921128  333.9328       7.017498  329.5054       9.781984  338.6275       10.07289  -2.492081      3.842255  
1 1 1 -16 3  18 o 146.7663 1.557805  215.4839       4.572049  217.5324       6.530434  213.5146       6.403153  1.367218       3.115610  
1 1 1 -16 3  19 o 104.4426 1.140441  107.7610       2.358777  100.1103       3.086360  118.5055       3.657530  -8.801262      2.280881  
1 1 1 -16 3  20 o 79.12196 0.9019015 62.56735       1.426429  61.25607       1.978076  63.98798       2.058901  -1.725800      1.803803  
1 1 1 -16 3  21 o 153.1055 1.624305  233.7638       4.959647  244.7141       7.354112  224.6284       6.717093  6.550507       3.248611  
1 1 1 -16 3  22 o 211.7879 2.710252  451.3471       10.90867  443.0023       18.50089  455.7945       13.50627  -3.139832      5.420505  
1 1 1 -16 3  23 o 108.2541 1.664647  116.9954       3.597094  121.5554       5.288838  113.0704       4.906740  3.913132       3.329293  
1 1 1 -16 3  24 o 142.5699 2.148889  201.5244       6.078459  188.7646       8.011714  218.8316       9.330741  -10.51711      4.297778  
1 1 1 -16 3  25 o 102.8591 1.593213  105.4279       3.266799  100.6476       4.409750  111.2425       4.863398  -5.142723      3.186426  
1 1 1 -16 3  26 o 86.06020 1.380763  73.43628       2.358057  79.29672       3.614374  69.09330       3.111444  5.920502       2.761525  
1 1 1 -16 3  27 o 78.89352 1.112202  62.38773       1.660293  62.64217       2.042796  61.89256       2.849771  0.4852066      2.224404  
1 1 1 -16 3  28 o 329.5543 3.437848  1090.426       22.65698  1098.773       32.31002  1082.350       31.78016  2.469330       6.875696  
1 1 1 -16 3  29 o 53.29237 0.7067264 28.32702       0.7519180 29.70731       1.104454  27.13456       1.026559  2.413033       1.413453  
1 1 1 -16 3  30 f 200.9024 2.113713  403.7790       8.481607  392.8761       11.63966  416.1220       12.38457  -5.760727      4.227426  
1 1 1 -16 3  31 o 70.92384 0.8473250 49.86747       1.194631  46.44253       1.586625  54.35080       1.815299  -5.571953      1.694650  
1 1 1 -16 3  32 f 79.44777 0.9205819 62.92426       1.459144  60.12712       1.980570  66.24472       2.157899  -3.846901      1.841164  
1 1 1 -16 3  33 o 94.53770 1.060029  89.31092       2.001966  91.95856       2.916228  86.95101       2.753214  2.644585       2.120059  
1 1 1 -16 3  34 o 107.8437 1.187194  116.4001       2.560354  115.2219       3.589014  117.6210       3.653626  -1.110397      2.374388  
1 1 1 -16 3  35 o 130.1963 1.405987  169.5279       3.656493  174.7522       5.333991  164.8964       5.022207  3.772141       2.811975  
1 1 1 -16 3  36 o 129.9137 1.403578  169.0577       3.646392  167.4287       5.106591  170.7524       5.208473  -1.274460      2.807157  
1 1 1 -16 3  37 f 51.59196 0.7120627 26.53453       0.7331335 28.07916       1.081384  25.22071       0.9973251 2.768147       1.424125  
1 1 1 -16 3  38 o 124.7151 1.355775  155.4970       3.375004  161.6706       4.964512  150.1920       4.602025  4.581276       2.711551  
1 1 1 -16 3  39 o 35.03353 0.6471915 12.27526       0.4532790 11.78400       0.6347788 12.78638       0.6474764 -1.430225      1.294383  
1 1 1 -16 3  40 o 59.06829 0.7682036 34.56633       0.9020229 31.83855       1.197670  38.14165       1.371166  -5.328949      1.536407  
1 1 1 -16 3  41 o 54.90005 0.9565488 29.98830       1.029730  29.23635       1.323469  31.14181       1.639183  -1.719440      1.913098  
1 1 1 -16 3  42 o 12.59897 1.204251  1.641007       0.2764992 2.432953       0.4069692 0.9620304      0.3768261 5.976975       2.408503  
1 1 1 -16 3  43 o 77.53575 0.9222677 60.20874       1.430169  60.07327       2.019083  60.34516       2.026064  -0.1749344     1.844535  
1 1 1 -16 3  44 o 38.83992 0.6782637 14.85624       0.5226170 17.37812       0.8001982 12.98037       0.6901390 5.656132       1.356527  
1 1 1 -16 3  45 o 16.13808 0.9267973 2.619262       0.2976643 2.897685       0.4189782 2.335506       0.4229719 1.742049       1.853595  
1 1 1 -16 3  46 o 83.02896 0.9768082 69.09293       1.622063  68.93420       2.290929  69.25250       2.296971  -0.1911926     1.953616  
1 1 1 -16 3  47 o 6.050134 1.598151  0.2340910      0.2731181 0.4569688      0.3867536 0.1237657E-01  0.3857431 1.838743       3.196302  
1 1 1 -16 3  48 o 55.82230 0.7718267 31.19277       0.8613216 31.97546       1.240899  30.46508       1.196499  1.349293       1.543653  
1 1 1 -16 3  49 o 20.44715 0.8898810 4.171488       0.3574115 5.344362       0.5276808 3.177310       0.4858221 5.295170       1.779762  
1 1 1 -16 3  50 o 59.11729 0.8051063 35.01900       0.9518157 34.64165       1.334375  35.40988       1.358079  -0.6474838     1.610213  
1 1 1 -16 3  51 o 49.06356 0.7621565 24.08381       0.7472618 22.96745       1.033191  25.30831       1.082078  -2.380699      1.524313  
1 1 1 -16 3  52 o 60.79935 1.020160  37.20508       1.171377  37.39394       1.439066  36.83423       2.016531  0.5393105      2.040320  
1 1 1 -16 3  53 o 29.12456 1.029934  8.369606       0.5904828 7.732861       0.7592430 9.344290       0.9393562 -2.739502      2.059867  
1 1 1 -16 3  54 o 33.85895 1.067226  11.51518       0.7224913 11.13680       1.011003  11.91010       1.032862  -1.138424      2.134452  
1 1 1 -16 3  55 o 27.38909 1.169674  7.549951       0.6403036 7.932694       0.9132570 7.179898       0.8979880 1.371185       2.339349  
1 1 1 -16 3  56 o 22.14880 1.798848  5.292408       0.7178437 4.217552       1.259693  5.809308       0.8735605 -3.709381      3.597697  
1 1 1 -16 3  57 o 25.18622 2.176312  0.000000       0.000000  ?              ?         6.422984       1.096262  ?              ?         
1 1 1 -16 3  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 4  1  o 58.87085 0.8925761 33.98729       0.9673333 36.38504       1.781354  32.98454       1.151983  2.883766       1.785152  
1 1 1 -16 4  2  o 225.5513 2.357830  507.5775       10.60464  487.8625       14.35098  531.2919       15.73945  -9.602402      4.715660  
1 1 1 -16 4  3  f 95.63428 1.050203  91.41875       2.007629  89.70630       2.784791  93.27193       2.896962  -1.863319      2.100406  
1 1 1 -16 4  4  o 108.3224 1.174074  117.2423       2.541471  120.3983       3.685887  114.3820       3.508999  2.775505       2.348147  
1 1 1 -16 4  5  o 173.9923 1.831977  302.6760       6.370357  309.5375       9.222561  296.4151       8.809704  3.765518       3.663955  
1 1 1 -16 4  6  o 97.19931 1.065091  94.29477       2.067052  97.87307       3.031013  91.18365       2.826225  3.439529       2.130183  
1 1 1 -16 4  7  o 251.3740 2.622157  632.7646       13.18278  631.8822       18.60987  633.6533       18.67683  -0.3510284     5.244313  
1 1 1 -16 4  8  o 176.0551 1.852546  310.1683       6.522970  310.7139       9.242592  309.6270       9.207256  0.3082123      3.705092  
1 1 1 -16 4  9  f 91.66847 1.015470  82.30116       1.831713  74.97599       2.350039  93.64010       2.923831  -10.17598      2.030941  
1 1 1 -16 4  10 o 237.4086 2.479280  564.1706       11.76873  571.6270       16.88429  557.1251       16.41273  3.045563       4.958560  
1 1 1 -16 4  11 f 104.8588 1.142545  109.5290       2.388064  104.7795       3.222358  115.3156       3.556823  -5.021072      2.285090  
1 1 1 -16 4  12 o 124.2274 1.332375  153.9236       3.302254  160.6896       4.879322  148.2054       4.485658  5.020638       2.664751  
1 1 1 -16 4  13 o 84.22421 1.345180  70.69221       2.259393  74.43834       3.353018  67.57656       3.057868  4.070374       2.690361  
1 1 1 -16 4  14 o 72.34015 0.8362065 51.39516       1.194108  46.85612       1.545146  58.12592       1.881566  -7.787186      1.672413  
1 1 1 -16 4  15 o 332.6768 3.463923  1109.563       23.04365  1120.647       32.94254  1098.943       32.24591  3.242523       6.927846  
1 1 1 -16 4  16 o 40.48254 0.5899698 15.90958       0.4702671 19.38401       0.7487711 13.64637       0.6043233 7.085876       1.179940  
1 1 1 -16 4  17 o 75.85641 0.8714258 57.53388       1.321764  56.76442       1.845536  58.34423       1.893915  -1.040993      1.742852  
1 1 1 -16 4  18 o 155.6806 2.011626  243.3672       5.941707  240.0823       10.12693  245.0916       7.337366  -1.651978      4.023252  
1 1 1 -16 4  19 o 81.27559 1.295756  65.98984       2.104352  64.00105       2.901388  68.19723       3.056688  -2.579826      2.591512  
1 1 1 -16 4  20 o 97.34659 1.509657  94.13577       2.922681  88.81340       3.892545  101.0140       4.425064  -6.259743      3.019315  
1 1 1 -16 4  21 o 48.22315 0.8975487 23.24731       0.8653858 22.78162       1.205655  23.74220       1.242875  -0.9956856     1.795097  
1 1 1 -16 4  22 o 132.2726 1.998138  174.1603       5.261475  165.6097       7.045728  184.9398       7.910890  -7.291107      3.996275  
1 1 1 -16 4  23 o 22.63273 0.7259907 4.851121       0.3160568 4.204687       0.3876797 6.132250       0.5457672 -4.257257      1.451981  
1 1 1 -16 4  24 o 81.08669 0.9251491 65.70528       1.499368  64.15367       2.075343  67.39944       2.168582  -2.000549      1.850298  
1 1 1 -16 4  25 f 111.7114 1.218525  124.2488       2.711638  131.3274       4.057762  118.5370       3.645027  5.719368       2.437050  
1 1 1 -16 4  26 o 162.4211 1.720822  264.0524       5.589951  263.8266       7.898916  264.2789       7.911867  -0.1390076     3.441644  
1 1 1 -16 4  27 o 71.38875 0.8450905 50.69306       1.202241  47.81092       1.618396  54.24195       1.795869  -4.502464      1.690181  
1 1 1 -16 4  28 o 85.98831 0.9779529 73.73931       1.678015  77.19592       2.476421  70.80502       2.281667  3.713669       1.955906  
1 1 1 -16 4  29 o 206.6931 2.172051  427.9473       8.976854  433.2279       12.86296  422.9334       12.53382  2.479675       4.344102  
1 1 1 -16 4  30 f 45.52842 0.6625152 20.44813       0.5989684 18.28353       0.7922977 23.33534       0.9150363 -5.546665      1.325030  
1 1 1 -16 4  31 o 108.7948 1.193300  118.2549       2.593267  114.8232       3.561774  122.1264       3.783090  -3.351753      2.386599  
1 1 1 -16 4  32 o 133.7477 1.438150  178.9566       3.844521  175.2737       5.323351  182.9716       5.558197  -2.870789      2.876301  
1 1 1 -16 4  33 o 63.89999 0.7882742 40.81474       1.006938  39.75628       1.397976  41.95594       1.451586  -1.720200      1.576548  
1 1 1 -16 4  34 o 132.3265 1.425507  175.3613       3.772523  174.4754       5.309128  176.2646       5.361564  -0.6740723     2.851013  
1 1 1 -16 4  35 o 55.45589 0.7293842 30.76673       0.8089551 30.48724       1.140461  31.04975       1.147643  -0.5070076     1.458768  
1 1 1 -16 4  36 o 40.85281 0.6497775 16.63895       0.5299798 15.50590       0.7261372 17.93057       0.7752836 -2.966484      1.299555  
1 1 1 -16 4  37 o 73.55077 0.8746600 54.05515       1.285300  52.35215       1.769111  55.95894       1.870502  -2.448616      1.749320  
1 1 1 -16 4  38 o 96.50308 1.084796  93.12117       2.091401  90.39616       2.876628  96.17654       3.046010  -2.986885      2.169593  
1 1 1 -16 4  39 o 19.36413 0.7728472 3.744411       0.2979515 4.266697       0.4322236 3.271492       0.4112895 2.568968       1.545694  
1 1 1 -16 4  40 o 18.13679 0.8087904 3.301919       0.2924905 3.051788       0.4178316 3.542268       0.4095799 -1.352501      1.617581  
1 1 1 -16 4  41 o 72.76933 1.136197  51.48750       1.569197  57.96845       2.752450  48.36669       1.910000  6.546089       2.272395  
1 1 1 -16 4  42 o 59.61880 0.7789761 35.57104       0.9286878 36.00319       1.327689  35.15706       1.299490  0.7083511      1.557952  
1 1 1 -16 4  43 o 68.36800 0.8481706 46.78614       1.159472  45.98785       1.618029  47.62875       1.662352  -1.197571      1.696341  
1 1 1 -16 4  44 o 50.93603 0.7254500 25.84575       0.7371028 24.21165       0.9995321 27.79385       1.091351  -3.511703      1.450900  
1 1 1 -16 4  45 o 60.67807 0.7945555 36.66861       0.9611198 34.45827       1.296930  39.36132       1.431464  -4.031967      1.589111  
1 1 1 -16 4  46 o 28.65849 0.7132322 8.205705       0.4083382 8.741577       0.5923724 7.720535       0.5636524 1.779655       1.426464  
1 1 1 -16 4  47 o 27.85784 0.7263303 7.767198       0.4045644 7.988941       0.5801679 7.557316       0.5644372 0.7736015      1.452661  
1 1 1 -16 4  48 o 82.22386 0.9770168 67.46546       1.600742  71.54147       2.391400  64.15657       2.154648  4.466530       1.954034  
1 1 1 -16 4  49 o 41.06905 0.7150105 16.87948       0.5870477 16.32458       0.8166929 17.47270       0.8444229 -1.395588      1.430021  
1 1 1 -16 4  50 o 25.00215 0.8084961 6.199730       0.4009652 7.444140       0.5986781 5.187458       0.5399582 4.507242       1.616992  
1 1 1 -16 4  51 o 52.78851 0.7758103 27.92460       0.8189901 28.21601       1.168667  27.64336       1.148062  0.5402870      1.551621  
1 1 1 -16 4  52 f 46.53793 0.7567164 21.53026       0.7014262 19.35804       0.9455773 24.18802       1.045930  -5.178886      1.513433  
1 1 1 -16 4  53 o 12.80637 1.334100  1.686794       0.3302118 1.416916       0.4685424 1.953124       0.4654528 -2.257952      2.668200  
1 1 1 -16 4  54 f 24.15624 0.8607308 5.821683       0.4115057 7.091070       0.6059955 4.735473       0.5605694 4.869717       1.721462  
1 1 1 -16 4  55 f 32.98675 0.7890946 10.90815       0.5203937 11.14675       0.7487385 10.68518       0.7237912 0.6961899      1.578189  
1 1 1 -16 4  56 f 46.28256 0.9708642 21.98315       0.8616513 19.77756       1.397074  23.33718       1.094639  -3.896523      1.941728  
1 1 1 -16 4  57 o 47.57283 1.361417  22.85443       1.228953  22.84609       1.515711  22.87045       2.099662  0.1242905      2.722834  
1 1 1 -16 4  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 5  1  o 46.52493 0.7930658 19.19996       0.6186399 17.43629       0.6910546 26.31699       1.388200  -9.539577      1.586132  
1 1 1 -16 5  2  o 161.5030 2.419915  261.1513       7.815792  263.1658       11.14189  259.1998       10.96660  1.224426       4.839831  
1 1 1 -16 5  3  o 128.6150 1.955024  164.4600       5.001977  175.8143       7.558794  155.6144       6.671697  7.839104       3.910049  
1 1 1 -16 5  4  o 200.8984 2.986520  403.4895       11.97685  418.4750       17.60065  390.5665       16.34466  6.916519       5.973040  
1 1 1 -16 5  5  o 113.2822 1.483966  130.3325       3.257579  120.0278       5.189380  137.0339       4.184843  -7.517517      2.967932  
1 1 1 -16 5  6  o 371.4472 3.864420  1383.598       28.69714  1405.434       41.28503  1363.186       39.91728  5.646149       7.728841  
1 1 1 -16 5  7  o 173.5779 1.829932  301.2027       6.347528  294.2806       8.765932  308.8332       9.203569  -4.185791      3.659865  
1 1 1 -16 5  8  o 344.0377 3.579752  1186.066       24.61564  1210.151       35.57985  1163.954       34.09140  6.672729       7.159504  
1 1 1 -16 5  9  o 49.43620 0.6556076 24.43264       0.6480946 23.88904       0.9066350 25.00067       0.9267855 -1.124203      1.311215  
1 1 1 -16 5  10 o 194.2732 2.039881  377.3458       7.918461  368.5269       10.91866  387.1301       11.50079  -4.778519      4.079762  
1 1 1 -16 5  11 o 273.8550 2.854538  751.3362       15.63441  749.3925       22.04799  753.3019       22.17334  -0.7109070     5.709076  
1 1 1 -16 5  12 o 170.3794 1.797484  290.2949       6.121350  284.8349       8.481323  296.2315       8.843843  -3.339218      3.594967  
1 1 1 -16 5  13 o 172.5521 1.817852  297.8227       6.270867  293.2621       8.719142  302.7094       9.025483  -2.732986      3.635703  
1 1 1 -16 5  14 o 139.9092 1.815845  196.7155       4.828600  193.2288       8.190459  198.5728       5.977917  -1.941544      3.631690  
1 1 1 -16 5  15 o 88.06558 1.378227  77.44284       2.423881  80.14016       3.546251  75.07781       3.320633  2.871735       2.756454  
1 1 1 -16 5  16 o 204.5836 3.032126  418.8714       12.39328  430.1287       18.03062  408.7901       17.06289  5.192307       6.064252  
1 1 1 -16 5  17 o 123.6335 1.872409  152.0184       4.605730  161.9547       6.951654  144.2444       6.148933  7.150642       3.744818  
1 1 1 -16 5  18 o 75.08750 1.207767  56.39212       1.813567  55.88279       2.542252  56.91992       2.587900  -0.6901703     2.415533  
1 1 1 -16 5  19 o 185.6525 2.404772  341.6391       8.289453  335.8731       9.969691  354.5532       14.92045  -4.931168      4.809543  
1 1 1 -16 5  20 o 195.5503 2.054565  382.5909       8.031588  389.3564       11.57405  376.3074       11.15433  3.328827       4.109129  
1 1 1 -16 5  21 o 323.0515 3.365239  1045.739       21.72598  1024.468       30.02629  1069.113       31.47524  -6.865356      6.730477  
1 1 1 -16 5  22 o 77.26545 0.8928292 59.26751       1.372647  55.55831       1.831933  64.01586       2.072723  -5.471024      1.785658  
1 1 1 -16 5  23 f 192.9025 2.027907  372.5369       7.823632  373.6827       11.10282  371.4067       11.02615  0.5883789      4.055814  
1 1 1 -16 5  24 o 29.78463 0.6033542 8.864906       0.3585050 8.024474       0.4988681 9.762480       0.5155484 -2.917519      1.206708  
1 1 1 -16 5  25 o 67.57549 0.8152292 45.61193       1.100666  46.98743       1.600937  44.37900       1.515711  1.929253       1.630458  
1 1 1 -16 5  26 o 158.2068 1.677856  250.2846       5.304777  244.8395       7.329372  256.2750       7.687619  -3.607132      3.355712  
1 1 1 -16 5  27 f 115.6264 1.256525  133.7398       2.905252  132.2642       4.063491  135.2828       4.155343  -1.303909      2.513051  
1 1 1 -16 5  28 o 242.4206 2.537932  588.7207       12.29664  577.3058       17.02047  601.1838       17.78487  -4.897598      5.075863  
1 1 1 -16 5  29 o 56.09449 0.7274944 31.36044       0.8145391 29.70206       1.109950  33.29581       1.199069  -3.202290      1.454989  
1 1 1 -16 5  30 o 100.4725 1.112950  100.3691       2.225461  94.97514       2.974959  107.2230       3.353487  -6.088120      2.225900  
1 1 1 -16 5  31 o 124.2401 1.343884  154.0477       3.331471  148.1960       4.528528  160.9504       4.918406  -5.122902      2.687768  
1 1 1 -16 5  32 o 49.38639 0.6847572 24.32818       0.6753736 23.03985       0.9258147 25.79362       0.9874021 -2.787056      1.369514  
1 1 1 -16 5  33 o 49.77706 0.6860316 24.78568       0.6829647 24.62833       0.9652210 24.94344       0.9664961 -0.3165054     1.372063  
1 1 1 -16 5  34 o 24.91238 0.6523992 6.188423       0.3243425 6.501070       0.4783981 5.922469       0.4412321 1.160582       1.304798  
1 1 1 -16 5  35 o 109.0449 1.199147  118.9203       2.612778  115.8993       3.602281  122.2737       3.795326  -2.915321      2.398293  
1 1 1 -16 5  36 o 40.30508 0.6508604 16.22743       0.5242534 15.45203       0.7261589 17.07156       0.7576564 -2.008381      1.301721  
1 1 1 -16 5  37 o 100.6848 1.121790  101.3664       2.256418  98.46679       3.103449  104.6182       3.286528  -3.046555      2.243579  
1 1 1 -16 5  38 o 70.79370 0.8527502 50.13099       1.206792  51.15905       1.740011  49.17814       1.675160  1.396591       1.705500  
1 1 1 -16 5  39 o 67.36705 0.8273113 45.29524       1.112652  43.36032       1.518664  47.53743       1.634801  -3.095711      1.654623  
1 1 1 -16 5  40 o 19.41572 0.8713455 3.829085       0.3334035 4.359550       0.4578621 3.230331       0.4864422 2.909273       1.742691  
1 1 1 -16 5  41 o 121.4723 1.328742  147.8773       3.226737  145.3423       4.485157  150.5969       4.645666  -2.151215      2.657484  
1 1 1 -16 5  42 o 81.95560 0.9597272 67.27170       1.573098  67.16230       2.225146  67.38100       2.224247  -0.1334839     1.919454  
1 1 1 -16 5  43 f 41.96925 0.6847234 17.61591       0.5745044 16.99523       0.7999187 18.27714       0.8256356 -1.525978      1.369447  
1 1 1 -16 5  44 f 34.47169 0.6773938 11.89261       0.4669842 11.99335       0.6653175 11.79479       0.6556202 0.2875328      1.354788  
1 1 1 -16 5  45 o 24.49440 0.7300755 5.992188       0.3566133 6.671604       0.5173928 5.377314       0.4922043 2.640532       1.460151  
1 1 1 -16 5  46 o 35.30628 0.6877615 12.47951       0.4854410 11.99694       0.6828922 12.97246       0.6902007 -1.381077      1.375523  
1 1 1 -16 5  47 o 24.85865 0.7608607 6.182057       0.3780112 6.507868       0.5446750 5.879310       0.5250425 1.262777       1.521721  
1 1 1 -16 5  48 o 99.33479 1.130917  99.03986       2.246576  99.79028       3.203494  98.31364       3.151421  0.7370529      2.261833  
1 1 1 -16 5  49 f 75.32960 0.9247792 56.75410       1.390735  59.28387       2.043091  54.56983       1.898456  3.113663       1.849558  
1 1 1 -16 5  50 o 17.69036 0.9742730 3.140040       0.3446817 3.094863       0.4870230 3.185378       0.4878853 -0.2557278     1.948546  
1 1 1 -16 5  51 o 48.87196 0.7576818 23.68994       0.7364759 26.40609       1.115163  21.58889       0.9807958 4.914692       1.515364  
1 1 1 -16 5  52 o 34.74570 0.7493320 12.10017       0.5206514 11.85865       0.7356448 12.34258       0.7369817 -0.6962471     1.498664  
1 1 1 -16 5  53 o 12.97236 1.289418  1.700178       0.3332031 1.541998       0.4746257 1.853899       0.4678873 -1.203446      2.578836  
1 1 1 -16 5  54 o 13.49188 1.266878  1.833435       0.3417039 1.760814       0.4800850 1.907999       0.4864627 -0.5441523     2.533756  
1 1 1 -16 5  55 o 51.55263 0.8001648 26.65288       0.8248201 27.04209       1.182044  26.28352       1.151499  0.7314110      1.600330  
1 1 1 -16 5  56 o 32.87119 0.9228521 10.90693       0.6034811 9.835258       0.8662229 11.91766       0.8412282 -3.171621      1.845704  
1 1 1 -16 5  57 o 29.87964 1.364719  8.539195       0.7730995 7.623085       0.9336152 10.53786       1.378999  -4.758274      2.729438  
1 1 1 -16 5  58 o 15.16215 4.387905  2.489951       1.406502  2.489951       1.406502  ?              ?         ?              ?         
1 1 1 -16 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 6  1  o 197.1187 2.067155  388.8876       8.148745  386.0106       11.43147  391.8597       11.61895  -1.480576      4.134309  
1 1 1 -16 6  2  o 104.7314 1.143245  109.2042       2.385919  115.5175       3.562692  104.0702       3.212772  5.461845       2.286491  
1 1 1 -16 6  3  o 146.4002 1.556150  214.4382       4.556190  215.4122       6.481241  213.4865       6.406264  0.6567535      3.112301  
1 1 1 -16 6  4  o 64.47645 0.9507544 41.50949       1.140433  41.38733       1.378398  41.77455       2.030433  -0.2953644     1.901509  
1 1 1 -16 6  5  o 285.9205 4.227242  820.5190       24.16506  832.8160       34.71531  808.9594       33.65832  4.135773       8.454485  
1 1 1 -16 6  6  o 87.48416 1.397428  76.55093       2.444412  75.83066       3.411603  77.31078       3.504093  -0.8448944     2.794856  
1 1 1 -16 6  7  o 203.0952 3.019296  412.6901       12.24773  401.5909       16.80951  425.2506       17.88202  -5.798615      6.038591  
1 1 1 -16 6  8  o 59.18435 0.8943135 35.35031       1.000108  34.05854       1.708468  36.02373       1.233548  -1.663597      1.788627  
1 1 1 -16 6  9  f 101.9178 1.195962  103.9462       2.433109  95.72836       3.414928  112.4193       3.467547  -8.187904      2.391923  
1 1 1 -16 6  10 o 90.22826 1.001458  81.40817       1.806761  82.37109       2.589238  80.49433       2.522365  1.039467       2.002917  
1 1 1 -16 6  11 o 68.06390 0.9582499 46.97954       1.263993  43.58531       2.017720  49.17192       1.621617  -4.106949      1.916500  
1 1 1 -16 6  12 o 67.18216 1.102868  45.11864       1.481393  43.93704       2.064425  46.37294       2.126987  -1.812355      2.205735  
1 1 1 -16 6  13 o 138.5817 2.080684  191.5360       5.749228  200.7700       8.540327  183.8833       7.774760  6.080154       4.161369  
1 1 1 -16 6  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 6  15 f 70.81595 0.9931219 50.66528       1.353951  52.11218       1.711429  48.24476       2.213579  2.734451       1.986244  
1 1 1 -16 6  16 o 176.0629 1.855245  308.7072       6.505664  326.1666       9.746346  294.6769       8.736988  8.927841       3.710490  
1 1 1 -16 6  17 o 379.1271 3.945278  1442.590       29.91498  1445.553       42.40996  1439.655       42.20314  0.7710266      7.890557  
1 1 1 -16 6  18 o 101.1274 1.110541  102.2969       2.246087  102.0368       3.165960  102.5603       3.187039  -0.2586365     2.221082  
1 1 1 -16 6  19 o 176.2930 1.857836  311.0019       6.549357  307.9266       9.161730  314.2157       9.366030  -1.780304      3.715673  
1 1 1 -16 6  20 o 175.1260 1.846894  306.2738       6.456440  296.5111       8.811059  317.5945       9.488054  -6.008026      3.693789  
1 1 1 -16 6  21 o 65.71117 0.7920966 42.86408       1.035703  46.32296       1.563680  40.16061       1.382421  4.687611       1.584193  
1 1 1 -16 6  22 f 211.0225 2.213172  445.9185       9.340580  446.2856       13.21106  445.5517       13.20809  0.1737976      4.426343  
1 1 1 -16 6  23 o 180.8157 1.906001  326.7564       6.883158  317.6689       9.441274  337.0665       10.05632  -5.351593      3.812002  
1 1 1 -16 6  24 o 165.4255 1.753528  273.5737       5.795627  281.1458       8.428479  266.7822       7.982225  4.332825       3.507056  
1 1 1 -16 6  25 o 85.09666 0.9667348 71.66294       1.632460  66.63566       2.151839  78.47925       2.505633  -6.954979      1.933470  
1 1 1 -16 6  26 o 110.8212 1.212556  122.8749       2.687511  123.1166       3.810657  122.6357       3.790850  0.2166748      2.425112  
1 1 1 -16 6  27 o 79.57458 0.9182149 63.14180       1.457916  60.58612       1.981434  66.15871       2.152822  -3.499336      1.836430  
1 1 1 -16 6  28 o 248.9378 2.605893  621.3842       12.97162  614.7948       18.13327  628.2900       18.56357  -2.693375      5.211786  
1 1 1 -16 6  29 o 70.86781 0.8437180 50.23893       1.195834  50.23824       1.695401  50.23964       1.686961  -0.1098633E-02 1.687436  
1 1 1 -16 6  30 o 201.4516 2.120417  406.3117       8.535286  396.9254       11.77054  416.7206       12.39510  -4.889145      4.240834  
1 1 1 -16 6  31 o 159.0652 1.690648  253.3713       5.377088  250.0970       7.502938  256.8287       7.709989  -2.108582      3.381296  
1 1 1 -16 6  32 f 43.85686 0.6658165 18.75946       0.5765305 16.11971       0.7474828 22.63597       0.9058155 -7.426544      1.331633  
1 1 1 -16 6  33 f 72.82681 0.8623638 53.06101       1.255906  53.43960       1.792859  52.69624       1.759839  0.5095901      1.724728  
1 1 1 -16 6  34 o 40.24854 0.6476153 15.86477       0.5158005 13.56293       0.6755347 19.08292       0.7987552 -6.854908      1.295231  
1 1 1 -16 6  35 f 76.78386 0.9008064 59.00189       1.383300  59.14540       1.965472  58.86105       1.947219  0.1846085      1.801613  
1 1 1 -16 6  36 o 161.2209 1.717585  260.4756       5.533930  254.8569       7.647819  266.6508       8.017588  -3.634308      3.435169  
1 1 1 -16 6  37 o 39.94730 0.6529632 15.86450       0.5198278 17.20397       0.7761104 14.77470       0.7000538 3.038441       1.305926  
1 1 1 -16 6  38 o 87.04754 0.9978567 75.63222       1.733333  72.50256       2.357445  79.31515       2.557346  -3.903992      1.995713  
1 1 1 -16 6  39 o 75.11690 0.8938523 56.39828       1.341438  54.62391       1.845820  58.38442       1.952861  -2.498383      1.787705  
1 1 1 -16 6  40 o 100.5931 1.127502  101.3012       2.266994  99.14075       3.140262  103.6526       3.276078  -2.234428      2.255005  
1 1 1 -16 6  41 o 38.00385 0.6686823 14.31952       0.5058425 15.96788       0.7608826 13.01398       0.6771541 3.883167       1.337365  
1 1 1 -16 6  42 o 103.7935 1.159943  107.9846       2.407762  107.1955       3.383819  108.7938       3.426765  -0.7667465     2.319886  
1 1 1 -16 6  43 o 24.39814 0.7364496 5.959003       0.3581311 5.320280       0.4996094 6.634076       0.5136291 -2.691690      1.472899  
1 1 1 -16 6  44 o 49.25654 0.7238939 24.28326       0.7129427 24.51661       1.021951  24.06200       0.9950917 0.4600334      1.447788  
1 1 1 -16 6  45 o 20.96919 0.8083501 4.371069       0.3331810 5.608917       0.4947860 3.344095       0.4506753 5.397423       1.616700  
1 1 1 -16 6  46 o 43.00531 0.7070630 18.44694       0.6068538 19.64540       0.8945237 17.42505       0.8260071 2.577034       1.414126  
1 1 1 -16 6  47 o 63.99375 0.8314611 40.96611       1.063198  39.41394       1.466009  42.68830       1.544216  -2.551617      1.662922  
1 1 1 -16 6  48 o 40.08749 0.7140261 15.99338       0.5706514 17.55382       0.8475943 14.69965       0.7717702 3.554073       1.428052  
1 1 1 -16 6  49 o 45.62016 0.7348160 20.81467       0.6698000 21.64099       0.9738004 20.07274       0.9227411 1.714382       1.469632  
1 1 1 -16 6  50 o 40.52087 0.7413582 16.20948       0.5963551 18.80079       0.9101940 14.26035       0.7893940 5.591068       1.482716  
1 1 1 -16 6  51 f 9.485560 1.510870  0.9218086      0.3036574 0.3834534      0.4212753 1.503999       0.4380908 -5.481144      3.021741  
1 1 1 -16 6  52 o 23.89726 0.8370190 5.727689       0.4000045 5.657532       0.5674211 5.796998       0.5639781 -0.2922134     1.674038  
1 1 1 -16 6  53 o 9.544182 1.697585  0.9551209      0.3255477 1.116619       0.4668125 0.8022095      0.4542333 1.525952       3.395170  
1 1 1 -16 6  54 o 36.79858 0.7692257 13.52583       0.5649277 14.75233       0.8275623 12.45551       0.7730747 3.113716       1.538451  
1 1 1 -16 6  55 o 29.38805 0.8907980 8.401855       0.5136059 10.09002       0.8312533 7.359416       0.6532092 4.617739       1.781596  
1 1 1 -16 6  56 o 29.42107 1.163562  8.718404       0.6845334 8.856597       0.9642898 8.578020       0.9719082 0.4750557      2.327125  
1 1 1 -16 6  57 o 27.43404 1.420420  7.344395       0.7489700 6.712306       0.9221150 8.569850       1.283942  -3.283161      2.840841  
1 1 1 -16 6  58 f 29.55651 2.881570  8.959891       1.703383  8.959891       1.703383  ?              ?         ?              ?         
1 1 1 -16 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 7  1  o 143.6275 1.529139  205.9777       4.385160  213.2747       6.428829  199.6286       5.996795  4.745346       3.058277  
1 1 1 -16 7  2  o 47.27193 0.6827880 21.79059       0.6217358 24.37869       1.053363  20.40688       0.7702101 4.199524       1.365576  
1 1 1 -16 7  3  o 153.5976 1.625951  234.5037       4.967357  250.3430       7.512019  222.1965       6.621716  9.151138       3.251903  
1 1 1 -16 7  4  o 260.9556 2.722640  682.0779       14.20942  684.5071       20.17825  679.6883       20.01308  0.9197998      5.445281  
1 1 1 -16 7  5  o 204.2736 2.142701  416.3689       8.730093  434.9856       12.92987  400.7714       11.83508  8.356171       4.285403  
1 1 1 -16 7  6  o 231.0996 2.416239  534.5113       11.16310  543.0175       16.06810  526.5752       15.52017  3.546967       4.832477  
1 1 1 -16 7  7  o 243.0966 3.122223  588.5270       14.16814  602.5759       25.16514  582.0073       17.14332  4.036087       6.244446  
1 1 1 -16 7  8  o 37.04605 1.041410  13.72575       0.7716026 13.72575       0.7716026 ?              ?         ?              ?         
1 1 1 -16 7  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 7  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 7  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 7  12 o 218.6409 3.243299  474.5996       14.06659  513.5553       21.60489  445.9344       18.53291  15.38634       6.486598  
1 1 1 -16 7  13 o 234.1212 3.004882  548.5116       13.23032  551.3290       23.06067  547.1293       16.15319  0.7362823      6.009764  
1 1 1 -16 7  14 o 250.1949 2.611726  625.9236       13.05047  645.2747       19.06949  608.8763       17.89843  7.249466       5.223452  
1 1 1 -16 7  15 o 123.1076 1.323986  151.2447       3.253279  146.1159       4.434922  157.2198       4.786873  -4.505997      2.647972  
1 1 1 -16 7  16 o 77.86322 0.8948137 60.52058       1.391039  62.54403       2.040153  58.76262       1.901599  2.427170       1.789627  
1 1 1 -16 7  17 o 201.5994 2.115730  406.4147       8.522346  416.9157       12.38284  396.9642       11.74711  4.936386       4.231461  
1 1 1 -16 7  18 o 73.65517 0.8598531 54.25697       1.266587  53.87390       1.780184  54.64971       1.802472  -0.5264816     1.719706  
1 1 1 -16 7  19 o 277.1736 2.891272  769.9054       16.02717  773.4381       22.77577  766.4399       22.55749  1.256592       5.782545  
1 1 1 -16 7  20 f 168.1106 1.775952  282.7530       5.969336  278.9687       8.320653  286.7662       8.568640  -2.314911      3.551904  
1 1 1 -16 7  21 f 87.13884 0.9813907 75.61327       1.704396  79.86916       2.541457  72.13464       2.297695  4.435631       1.962781  
1 1 1 -16 7  22 o 161.5530 1.710726  261.2173       5.527381  260.3548       7.792172  262.0909       7.841859  -0.5364380     3.421452  
1 1 1 -16 7  23 o 23.04589 0.6437830 5.281187       0.2958699 5.809012       0.4376391 4.836857       0.4015347 2.108915       1.287566  
1 1 1 -16 7  24 o 259.1496 2.708058  672.9991       14.03250  665.0853       19.59068  681.3373       20.10937  -3.119507      5.416116  
1 1 1 -16 7  25 o 82.90077 0.9491544 68.71100       1.573196  67.39671       2.190756  70.11038       2.260556  -1.635887      1.898309  
1 1 1 -16 7  26 o 45.26263 0.6585317 20.10830       0.5899257 23.25895       0.9186615 17.89737       0.7695629 5.921417       1.317063  
1 1 1 -16 7  27 o 95.93967 1.069292  92.08731       2.051722  91.70831       2.892184  92.47128       2.911054  -0.3973236     2.138585  
1 1 1 -16 7  28 o 90.53059 1.019251  81.96807       1.844934  83.12952       2.647661  80.87185       2.572233  1.245674       2.038502  
1 1 1 -16 7  29 o 103.3397 1.140709  106.4910       2.351468  102.0457       3.189266  111.7859       3.480780  -4.706848      2.281418  
1 1 1 -16 7  30 o 54.01640 0.7151865 29.18666       0.7726171 28.92854       1.091928  29.44545       1.093365  -0.4784546     1.430373  
1 1 1 -16 7  31 o 128.5650 1.386742  164.6500       3.551132  156.7398       4.769502  174.4899       5.319515  -6.885704      2.773484  
1 1 1 -16 7  32 f 65.97356 0.8054131 43.47963       1.061745  42.05141       1.463666  45.06586       1.542503  -2.282959      1.610826  
1 1 1 -16 7  33 o 36.10788 0.6301805 12.65120       0.4480415 15.54841       0.7124761 10.75604       0.5762402 6.633621       1.260361  
1 1 1 -16 7  34 f 66.07876 0.8089122 43.67477       1.068712  44.30608       1.534288  43.07979       1.489482  0.9266968      1.617824  
1 1 1 -16 7  35 o 18.35945 0.7766448 3.401889       0.2822457 2.878020       0.4029332 3.906561       0.3954824 -2.801323      1.553290  
1 1 1 -16 7  36 o 107.8459 1.192046  116.4764       2.570786  115.1202       3.599113  117.8891       3.673302  -1.280045      2.384093  
1 1 1 -16 7  37 o 63.54817 0.7964221 39.96807       1.005205  36.78421       1.329333  44.21962       1.536137  -5.842785      1.592844  
1 1 1 -16 7  38 o 95.74567 1.079335  91.69073       2.064863  89.08060       2.845529  94.59383       3.000983  -2.871094      2.158671  
1 1 1 -16 7  39 o 8.829581 1.483114  0.6310586      0.3257464 1.587101       0.4922984 -0.1135179     0.4344549 7.501520       2.966228  
1 1 1 -16 7  40 o 102.2011 1.142440  104.6614       2.335168  104.4194       3.300623  104.9039       3.304232  -0.2368088     2.284879  
1 1 1 -16 7  41 o 48.66199 0.7143548 23.65421       0.6945265 22.34197       0.9594731 25.09863       1.006641  -2.830444      1.428710  
1 1 1 -16 7  42 o 62.42633 0.8033929 38.54598       0.9951289 42.76105       1.529176  35.44968       1.310618  5.843864       1.606786  
1 1 1 -16 7  43 o 17.58633 0.8801999 3.099613       0.3091917 3.053041       0.4468412 3.142395       0.4282755 -0.2551918     1.760400  
1 1 1 -16 7  44 f 65.37700 0.8328537 42.69042       1.086890  44.64921       1.598633  41.00666       1.482156  2.778046       1.665707  
1 1 1 -16 7  45 o 52.60284 0.7481238 27.63869       0.7860275 26.31091       1.078609  29.14238       1.147839  -2.686878      1.496248  
1 1 1 -16 7  46 o 26.56499 0.7463982 6.963870       0.3935647 8.193284       0.5981948 6.025540       0.5226018 4.074554       1.492796  
1 1 1 -16 7  47 o 48.24650 0.7388555 23.06788       0.7086692 25.63462       1.076604  21.10546       0.9413731 4.683266       1.477711  
1 1 1 -16 7  48 o 38.50746 0.7097909 14.84936       0.5465958 15.09136       0.7789269 14.61459       0.7672126 0.6181259      1.419582  
1 1 1 -16 7  49 o 38.52515 0.7277961 14.81715       0.5597545 15.79566       0.8218740 13.97057       0.7644648 2.363583       1.455592  
1 1 1 -16 7  50 o 39.39399 0.7286968 15.52291       0.5735152 16.12527       0.8349733 14.98490       0.7891142 1.442940       1.457394  
1 1 1 -16 7  51 o 47.73016 0.7552924 22.81534       0.7207355 22.08130       1.004039  23.59570       1.035224  -1.583179      1.510585  
1 1 1 -16 7  52 o 31.43762 0.7733368 9.884394       0.4854638 10.30805       0.7114339 9.515227       0.6641060 1.255604       1.546674  
1 1 1 -16 7  53 o 32.15175 0.7818465 10.34826       0.5019898 10.65794       0.7343477 10.07661       0.6877796 0.8983593      1.563693  
1 1 1 -16 7  54 o 36.95286 0.7806169 13.68650       0.5763041 13.89752       0.8372074 13.49647       0.7945027 0.5368271      1.561234  
1 1 1 -16 7  55 o 27.38002 0.9505274 7.551276       0.5190222 7.017985       0.7424417 8.061007       0.7258556 -1.907497      1.901055  
1 1 1 -16 7  56 o 26.06617 1.221662  6.813768       0.6298262 8.330566       0.9265794 5.511047       0.8587057 5.392759       2.443325  
1 1 1 -16 7  57 o 7.731534 2.090781  0.3558528      0.4710689 0.7289379      0.6745210 0.6424372E-03  0.6581642 2.274184       4.181562  
1 1 1 -16 7  58 o 33.40306 1.657263  11.25454       1.107153  11.25454       1.107153  ?              ?         ?              ?         
1 1 1 -16 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 8  1  o 252.7074 3.743519  640.6805       18.91899  645.2999       26.94706  636.1903       26.56795  1.790451       7.487039  
1 1 1 -16 8  2  o 156.5323 2.358924  244.7523       7.370665  236.4572       10.05452  254.3884       10.83676  -5.712479      4.717849  
1 1 1 -16 8  3  o 229.0735 2.408280  524.2275       11.01166  543.8815       16.19320  507.3213       15.01871  7.957153       4.816560  
1 1 1 -16 8  4  o 210.2726 2.700921  442.3606       10.68945  444.3932       18.59983  441.3581       13.06205  0.6040344      5.401841  
1 1 1 -16 8  5  o 140.0455 2.095100  196.3009       5.867678  197.7212       8.364054  194.9244       8.233779  0.9963837      4.190200  
1 1 1 -16 8  6  o 116.6617 1.765698  135.9952       4.114362  132.5525       5.648670  139.8857       6.004822  -3.137947      3.531395  
1 1 1 -16 8  7  o 159.4941 2.376065  254.4845       7.573594  260.0505       10.96901  249.4136       10.46978  3.325226       4.752131  
1 1 1 -16 8  8  o 113.6277 1.511524  126.9713       3.166083  123.6405       3.777270  134.8389       5.805351  -4.903770      3.023048  
1 1 1 -16 8  9  o 200.5594 2.106017  402.1295       8.437967  392.5832       11.60731  412.8282       12.28793  -5.035751      4.212034  
1 1 1 -16 8  10 o 77.47165 0.8821390 60.00192       1.366379  61.06424       1.962732  59.00293       1.903341  1.329948       1.764278  
1 1 1 -16 8  11 o 186.7317 1.963727  347.6699       7.310125  364.8189       10.87357  333.5270       9.874630  8.362823       3.927454  
1 1 1 -16 8  12 o 151.3301 1.977676  228.3513       5.602264  226.7738       6.802239  231.6776       9.877332  -1.570419      3.955351  
1 1 1 -16 8  13 o 242.9015 3.599655  590.9915       17.46553  608.3501       25.47062  575.5854       23.99532  6.699203       7.199310  
1 1 1 -16 8  14 o 178.5234 2.669541  318.9225       9.522791  311.6917       13.13517  326.9337       13.82589  -4.252808      5.339081  
1 1 1 -16 8  15 o 290.1447 4.291718  845.3875       24.89525  858.4285       35.79153  833.1644       34.65058  4.310059       8.583436  
1 1 1 -16 8  16 o 37.15364 0.9106343 13.36062       0.6654991 16.64433       1.061545  11.23438       0.8542038 7.278801       1.821269  
1 1 1 -16 8  17 o 92.27856 1.264389  85.61107       2.207315  83.87903       3.777929  86.50879       2.719835  -1.437080      2.528779  
1 1 1 -16 8  18 f 309.9493 3.501159  958.9751       21.32091  989.4858       33.68108  938.5735       27.54166  8.009003       7.002318  
1 1 1 -16 8  19 o 242.2835 2.532549  588.0132       12.27091  584.0073       17.22359  592.1426       17.48677  -1.672272      5.065097  
1 1 1 -16 8  20 o 192.6093 2.025357  370.6304       7.787687  383.9926       11.43606  359.0757       10.63448  6.451416       4.050714  
1 1 1 -16 8  21 o 24.09369 0.6152768 5.810020       0.2961704 5.697440       0.4263326 5.915030       0.4117447 -0.4516468     1.230554  
1 1 1 -16 8  22 o 107.0704 1.170706  114.6899       2.506950  114.8550       3.551406  114.5259       3.539348  0.1535721      2.341412  
1 1 1 -16 8  23 o 139.0160 1.487384  192.7504       4.124118  185.2055       5.589885  201.7630       6.109454  -5.946228      2.974767  
1 1 1 -16 8  24 o 101.3637 1.117875  102.6983       2.264645  100.4538       3.132619  105.1556       3.277687  -2.317230      2.235749  
1 1 1 -16 8  25 o 69.76595 0.8312128 48.63469       1.158921  49.94525       1.679273  47.44283       1.601421  1.792542       1.662426  
1 1 1 -16 8  26 o 50.35480 0.6866294 25.33043       0.6910710 24.43832       0.9573090 26.30124       0.9986451 -1.849369      1.373259  
1 1 1 -16 8  27 o 120.9747 1.309848  145.8303       3.158203  139.3241       4.258519  153.7822       4.707973  -5.966141      2.619697  
1 1 1 -16 8  28 o 56.08915 0.7302710 31.39013       0.8180702 29.99427       1.121460  32.97767       1.195985  -2.658554      1.460542  
1 1 1 -16 8  29 o 40.43694 0.6352712 16.34465       0.5135413 15.68585       0.7169744 17.03871       0.7359099 -1.672550      1.270542  
1 1 1 -16 8  30 o 81.86388 0.9428757 66.67821       1.537694  63.03561       2.066295  71.19926       2.302006  -4.981056      1.885751  
1 1 1 -16 8  31 o 40.74393 0.6405797 16.49649       0.5202505 14.97397       0.7046048 18.32145       0.7714167 -4.106861      1.281159  
1 1 1 -16 8  32 f 37.97794 0.6387893 14.29381       0.4826422 12.51758       0.6501617 16.47419       0.7203384 -5.207783      1.277579  
1 1 1 -16 8  33 o 17.93291 0.7645314 3.164244       0.2713834 3.881334       0.4123060 2.616091       0.3604817 3.526424       1.529063  
1 1 1 -16 8  34 o 39.82997 0.6426924 15.84433       0.5113831 16.40227       0.7452233 15.34779       0.7030297 1.322784       1.285385  
1 1 1 -16 8  35 o 99.92939 1.116929  99.99091       2.232192  99.16173       3.139828  100.8382       3.174043  -0.8373260     2.233858  
1 1 1 -16 8  36 o 86.13268 0.9888681 74.27529       1.703420  73.73131       2.397054  74.83025       2.421125  -0.6368713     1.977736  
1 1 1 -16 8  37 o 114.9607 1.261508  132.4183       2.900064  133.5035       4.142693  131.3754       4.061144  0.9207840      2.523016  
1 1 1 -16 8  38 o 61.09133 1.086349  37.24145       1.323576  39.22079       1.963316  35.59241       1.792027  2.960224       2.172698  
1 1 1 -16 8  39 o 41.65207 0.6738233 17.17992       0.5583751 15.29421       0.7476260 19.55865       0.8396912 -5.115776      1.347647  
1 1 1 -16 8  40 o 93.50679 1.062387  87.59282       1.986735  87.82501       2.823370  87.36509       2.796165  0.2442703      2.124774  
1 1 1 -16 8  41 o 70.55659 0.8644277 49.74765       1.218214  47.91012       1.671166  51.83130       1.779569  -2.772598      1.728855  
1 1 1 -16 8  42 o 19.05642 0.9788150 3.623461       0.3615626 3.698454       0.5918316 3.578806       0.4566964 0.3047104      1.957630  
1 1 1 -16 8  43 o 50.77544 0.7332505 25.59944       0.7410352 27.98809       1.117071  23.72215       0.9903070 4.193779       1.466501  
1 1 1 -16 8  44 o 98.96272 1.121494  98.19156       2.219168  96.65784       3.096480  99.81119       3.182023  -1.585167      2.242987  
1 1 1 -16 8  45 o 77.39887 0.9331267 59.92289       1.442327  62.14736       2.110331  57.97295       1.975825  2.685104       1.866253  
1 1 1 -16 8  46 o 64.34715 0.8338171 41.43743       1.072356  40.02811       1.483961  42.97767       1.551363  -2.286106      1.667634  
1 1 1 -16 8  47 o 7.435089 1.614080  0.5089750      0.2897530 0.8764571      0.4099238 0.1420344      0.4096217 3.420705       3.228160  
1 1 1 -16 8  48 o 7.771956 1.705300  0.5863920      0.3003620 0.8084363      0.4367159 0.3870729      0.4137648 2.072816       3.410600  
1 1 1 -16 8  49 o 40.48102 0.7371386 16.42417       0.5966269 16.09501       0.8479167 16.74695       0.8396598 -0.8060188     1.474277  
1 1 1 -16 8  50 o 7.985700 1.779125  0.6255605      0.3201692 0.7807195      0.4674145 0.4884098      0.4394532 1.425767       3.558251  
1 1 1 -16 8  51 o 68.55735 0.8868344 47.14008       1.215678  47.58041       1.741918  46.72198       1.697403  0.6204376      1.773669  
1 1 1 -16 8  52 o 37.97878 0.9341851 14.87110       0.6740506 13.12188       1.109067  15.89568       0.8488041 -3.686802      1.868370  
1 1 1 -16 8  53 o 28.32276 1.123975  8.032810       0.6343576 8.482336       0.9470161 7.666947       0.8543564 1.422144       2.247949  
1 1 1 -16 8  54 o 58.22862 1.153613  34.12459       1.342893  34.33142       1.930052  33.93049       1.869664  0.3319931      2.307227  
1 1 1 -16 8  55 o 14.88810 1.625419  2.233923       0.4826097 2.069016       0.6538240 2.431322       0.7153441 -1.198676      3.250838  
1 1 1 -16 8  56 o 38.05380 1.198611  14.80157       0.8988954 12.91003       1.331721  16.38463       1.218298  -4.591900      2.397221  
1 1 1 -16 8  57 f 31.90442 1.244187  10.04183       0.7778180 11.40559       1.259450  9.200957       0.9889561 3.383902       2.488374  
1 1 1 -16 8  58 o 40.93552 1.869662  16.93973       1.530712  16.93973       1.530712  ?              ?         ?              ?         
1 1 1 -16 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 9  1  o 203.7617 4.291240  0.000000       0.000000  ?              ?         416.1652       17.48781  ?              ?         
1 1 1 -16 9  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 9  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 9  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 9  5  o 216.3003 2.778352  467.5843       11.29328  465.3612       13.77056  472.1505       19.73609  -1.427002      5.556703  
1 1 1 -16 9  6  o 122.5670 1.319797  150.0087       3.230505  155.2637       4.725833  145.3990       4.426126  4.020760       2.639595  
1 1 1 -16 9  7  o 31.43794 0.5405027 9.653686       0.3358580 11.74085       0.5228173 8.187151       0.4382457 5.651539       1.081005  
1 1 1 -16 9  8  o 178.9303 1.883896  320.3905       6.740866  323.3852       9.625456  317.5081       9.443205  1.639297       3.767792  
1 1 1 -16 9  9  o 213.6775 2.238515  457.1279       9.566082  459.3019       13.59547  454.9962       13.46247  1.004929       4.477029  
1 1 1 -16 9  10 f 148.2574 1.574679  219.0776       4.653843  230.1246       6.925812  209.9833       6.283961  6.783752       3.149359  
1 1 1 -16 9  11 f 138.5575 1.480579  192.0300       4.101717  189.8350       5.719853  194.3536       5.885084  -1.628387      2.961159  
1 1 1 -16 9  12 o 408.9727 4.258825  1679.706       34.82423  1703.222       49.99265  1657.538       48.53738  5.529449       8.517650  
1 1 1 -16 9  13 o 62.25311 0.7541461 38.61840       0.9366826 36.82322       1.271772  40.74677       1.384769  -3.150517      1.508292  
1 1 1 -16 9  14 o 177.3034 1.868310  314.6083       6.624401  311.9942       9.284915  317.3185       9.454011  -1.498550      3.736619  
1 1 1 -16 9  15 o 111.8106 1.733255  124.7467       3.866859  120.0492       5.256478  130.2871       5.708586  -4.570862      3.466511  
1 1 1 -16 9  16 o 16.52630 0.6740765 2.734509       0.2225429 2.606789       0.3166462 2.859173       0.3128349 -0.7636070     1.348153  
1 1 1 -16 9  17 o 156.6027 2.054367  243.2056       5.967273  239.4077       7.172562  251.7447       10.75498  -3.866638      4.108734  
1 1 1 -16 9  18 f 214.5651 3.192670  461.7495       13.70051  460.5383       19.31297  462.9764       19.43853  -0.5640106     6.385341  
1 1 1 -16 9  19 o 107.3854 1.677955  113.9333       3.567447  125.5899       5.538886  105.6698       4.663548  9.259315       3.355910  
1 1 1 -16 9  20 o 203.6284 3.035400  415.6102       12.35617  423.0192       17.80132  408.7216       17.16460  3.489349       6.070799  
1 1 1 -16 9  21 f 96.61636 1.534714  92.79350       2.950655  99.45515       4.451046  87.57097       3.941055  6.141235       3.069428  
1 1 1 -16 9  22 o 27.52501 0.8244872 7.054655       0.3985947 8.686483       0.8172246 6.545279       0.4565868 3.886007       1.648974  
1 1 1 -16 9  23 f 115.9838 1.539275  136.0241       3.417238  129.7554       5.663727  139.6123       4.285084  -4.276413      3.078550  
1 1 1 -16 9  24 o 100.5906 1.112971  101.1704       2.237956  103.1878       3.227398  99.30200       3.105988  1.929558       2.225941  
1 1 1 -16 9  25 f 29.85287 0.6146204 8.882649       0.3662406 9.408576       0.5390301 8.431665       0.4991505 1.635824       1.229241  
1 1 1 -16 9  26 o 36.08479 0.6228449 12.98750       0.4486966 11.96625       0.6180762 14.12542       0.6524217 -2.991447      1.245690  
1 1 1 -16 9  27 o 94.57469 1.057405  89.46275       1.999560  88.15308       2.789616  90.84665       2.867606  -1.422554      2.114810  
1 1 1 -16 9  28 o 144.8010 1.547097  209.4386       4.471199  202.2093       6.092848  217.8750       6.581892  -5.393631      3.094195  
1 1 1 -16 9  29 o 72.72797 0.8625948 52.91877       1.254687  52.65013       1.772387  53.18864       1.776412  -0.3701477     1.725190  
1 1 1 -16 9  30 o 79.23450 0.9180248 62.42252       1.448350  58.84348       1.940473  66.92438       2.176305  -5.093880      1.836050  
1 1 1 -16 9  31 o 95.38614 1.068298  90.49876       2.027932  96.61844       3.056585  85.68687       2.710383  5.719414       2.136595  
1 1 1 -16 9  32 o 80.94395 0.9366177 65.47689       1.514483  67.44344       2.207172  63.72721       2.081917  2.291733       1.873235  
1 1 1 -16 9  33 o 50.61602 0.6988195 25.63070       0.7072708 25.68927       1.011534  25.57468       0.9893002 0.1126709      1.397639  
1 1 1 -16 9  34 o 43.01259 0.6600153 18.50936       0.5677451 18.23225       0.8009811 18.78915       0.8048586 -0.6472740     1.320031  
1 1 1 -16 9  35 o 50.56008 0.7078810 25.10094       0.7084879 22.27288       0.9250169 29.11438       1.101955  -6.760174      1.415762  
1 1 1 -16 9  36 o 80.68139 0.9416180 65.15040       1.519153  64.12827       2.124119  66.22066       2.173546  -1.294556      1.883236  
1 1 1 -16 9  37 o 71.93275 0.8712791 51.59917       1.250348  49.10359       1.696670  54.56539       1.849749  -3.789833      1.742558  
1 1 1 -16 9  38 o 134.0738 1.452500  180.0758       3.890512  175.2352       5.352040  185.4997       5.665348  -3.803619      2.905000  
1 1 1 -16 9  39 f 28.60361 0.6821575 8.192118       0.3899015 7.790330       0.5510545 8.594926       0.5517540 -1.406431      1.364315  
1 1 1 -16 9  40 o 64.68576 0.8174981 41.80040       1.055873  43.43042       1.547856  40.38176       1.444007  2.351189       1.634996  
1 1 1 -16 9  41 o 43.33659 0.6957461 18.77556       0.6026223 17.90745       0.8366485 19.71152       0.8687297 -2.079891      1.391492  
1 1 1 -16 9  42 o 76.40143 1.316687  58.55505       2.011381  59.52729       2.886045  57.63681       2.804742  1.229485       2.633374  
1 1 1 -16 9  43 o 32.58133 0.6878887 10.62259       0.4479870 10.75165       0.6462222 10.50319       0.6215938 0.3799057      1.375777  
1 1 1 -16 9  44 o 22.16599 0.8062962 4.916617       0.3527568 3.908373       0.4848540 6.050532       0.5141839 -4.830017      1.612592  
1 1 1 -16 9  45 o 52.01015 0.7579024 27.01102       0.7871512 25.32682       1.079663  28.92203       1.150069  -3.450901      1.515805  
1 1 1 -16 9  46 o 13.98619 1.121589  1.962294       0.3101895 2.378081       0.4507816 1.588359       0.4274928 2.820494       2.243177  
1 1 1 -16 9  47 o 94.70251 1.091179  89.80489       2.063078  86.46197       2.817456  93.66945       3.029316  -3.779015      2.182359  
1 1 1 -16 9  48 o 18.80618 0.9634710 3.610437       0.3520005 2.617317       0.4958414 4.619436       0.4997899 -5.322578      1.926942  
1 1 1 -16 9  49 o 16.49104 1.363531  2.795549       0.4376884 2.446224       0.6765843 3.046947       0.5739668 -1.839725      2.727062  
1 1 1 -16 9  50 o 77.47704 1.330075  60.37706       2.059742  58.64068       2.852443  62.26891       2.977405  -2.318565      2.660151  
1 1 1 -16 9  51 o 19.63136 1.473648  4.058046       0.5524753 3.128260       0.8535418 4.728479       0.7247882 -4.102411      2.947297  
1 1 1 -16 9  52 o 41.62960 0.9317298 17.37746       0.7532403 17.31662       0.9562762 17.47691       1.222627  -0.1540489     1.863460  
1 1 1 -16 9  53 o 33.96518 0.8161864 11.47659       0.5508577 12.40921       0.8385437 10.76859       0.7306206 2.399761       1.632373  
1 1 1 -16 9  54 o 30.64665 0.9724589 9.590734       0.5861412 8.217438       0.8686590 10.73867       0.7941947 -4.126034      1.944918  
1 1 1 -16 9  55 o 27.75146 1.279916  7.393741       0.6888969 9.364590       1.161249  6.323477       0.8557437 5.404964       2.559831  
1 1 1 -16 9  56 o 9.042772 2.324259  0.5387728      0.5544640 1.210170       0.8985584 0.1259378      0.7046034 3.826511       4.648518  
1 1 1 -16 9  57 o 17.35631 1.895251  3.233378       0.6021324 2.766250       0.9941645 3.504013       0.7567155 -2.482830      3.790501  
1 1 1 -16 9  58 o 17.36265 4.413155  3.319480       1.536243  3.319480       1.536243  ?              ?         ?              ?         
1 1 1 -16 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 10 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 10 2  o 119.8332 2.613747  143.7318       6.264275  143.7318       6.264275  ?              ?         ?              ?         
1 1 1 -16 10 3  o 46.79264 0.9910603 21.89800       0.9274176 22.19144       1.321134  21.61290       1.302204  0.6180267      1.982121  
1 1 1 -16 10 4  f 109.7813 1.710116  119.8428       3.736340  128.1164       5.630868  113.3344       4.994201  6.722343       3.420232  
1 1 1 -16 10 5  o 104.8206 1.150468  109.8935       2.411349  109.0739       3.370639  110.7527       3.451109  -0.7999573     2.300936  
1 1 1 -16 10 6  o 75.64764 0.8694897 56.72987       1.307060  61.60242       1.989845  53.03196       1.733482  5.662674       1.738979  
1 1 1 -16 10 7  o 214.7722 2.251209  461.7452       9.667480  456.2025       13.49116  467.5952       13.86007  -2.644623      4.502418  
1 1 1 -16 10 8  o 184.3827 1.940808  340.0150       7.151901  347.5793       10.35175  333.1070       9.892503  3.916306       3.881615  
1 1 1 -16 10 9  o 152.4194 1.616626  232.0104       4.919929  240.1928       7.211361  224.8854       6.729287  5.014236       3.233253  
1 1 1 -16 10 10 o 194.4598 2.043686  378.5610       7.948254  377.8741       11.21899  379.2531       11.26219  -0.3537292     4.087373  
1 1 1 -16 10 11 o 244.8629 2.560084  600.3707       12.53276  609.5986       18.01910  591.7234       17.44294  3.636154       5.120167  
1 1 1 -16 10 12 o 200.0534 2.100211  400.5162       8.399947  394.6350       11.68952  406.7956       12.07867  -3.031494      4.200423  
1 1 1 -16 10 13 o 248.5253 2.598612  618.7148       12.91495  613.3856       18.10141  624.2406       18.43209  -2.175507      5.197224  
1 1 1 -16 10 14 o 304.9922 3.179496  932.3957       19.38576  918.0668       26.93968  947.7839       27.91768  -4.840637      6.358991  
1 1 1 -16 10 15 o 155.8662 2.351937  243.1834       7.327830  239.0046       10.16643  247.7020       10.57168  -2.780212      4.703874  
1 1 1 -16 10 16 o 171.5666 1.812189  294.2513       6.211302  286.8980       8.546021  302.4851       9.043271  -4.533066      3.624378  
1 1 1 -16 10 17 o 57.23635 0.7323263 32.74892       0.8380972 32.00006       1.169423  33.53975       1.201734  -1.344776      1.464653  
1 1 1 -16 10 18 o 69.26286 0.8263034 47.43565       1.135386  52.21135       1.745726  43.93466       1.494699  5.972519       1.652607  
1 1 1 -16 10 19 o 182.0689 1.922588  331.7444       6.998705  326.3712       9.751446  337.4523       10.05066  -3.036499      3.845176  
1 1 1 -16 10 20 o 109.2064 1.195315  118.9405       2.604306  124.4901       3.849307  114.2559       3.536618  4.681213       2.390629  
1 1 1 -16 10 21 o 118.0843 1.280620  139.0777       3.016502  145.3941       4.464120  133.7703       4.092076  4.915764       2.561239  
1 1 1 -16 10 22 f 83.68584 1.192912  68.18563       1.810342  65.74986       2.129524  74.53365       3.437820  -5.226646      2.385824  
1 1 1 -16 10 23 o 18.72203 1.022919  3.729538       0.3369752 4.024404       0.4013060 3.024555       0.6205162 2.673462       2.045838  
1 1 1 -16 10 24 o 179.4138 2.691150  322.4489       9.643911  313.7755       13.23871  332.2555       14.07695  -5.113983      5.382301  
1 1 1 -16 10 25 o 114.9723 1.787740  130.7597       4.070796  143.7601       6.308967  121.4865       5.328407  9.656845       3.575480  
1 1 1 -16 10 26 f 69.01772 1.197634  47.67125       1.653159  47.66924       2.336835  47.67326       2.339006  -0.2853394E-02 2.395268  
1 1 1 -16 10 27 o 25.97782 1.010417  6.598793       0.5180395 8.310113       0.7988087 5.356649       0.6805545 5.682020       2.020834  
1 1 1 -16 10 28 o 63.56347 1.035226  40.34347       1.282254  40.82135       2.065952  40.04403       1.635361  0.6011009      2.070451  
1 1 1 -16 10 29 o 38.67032 0.8150062 15.26030       0.5823280 14.16648       1.027753  15.77750       0.7067164 -2.089619      1.630012  
1 1 1 -16 10 30 o 106.1748 1.171884  112.8605       2.488486  112.4951       3.516556  113.2269       3.521950  -0.3444290     2.343768  
1 1 1 -16 10 31 o 13.26529 0.9553836 1.763151       0.2450274 2.416823       0.3617343 1.208941       0.3330787 4.551920       1.910767  
1 1 1 -16 10 32 o 72.35032 0.8647736 52.07528       1.246056  55.64665       1.869329  49.21952       1.671585  4.435791       1.729547  
1 1 1 -16 10 33 o 42.02444 0.6491992 17.63699       0.5449774 18.28976       0.7950401 17.05841       0.7484933 1.463871       1.298398  
1 1 1 -16 10 34 o 63.32897 0.7933270 39.91859       1.001509  37.53656       1.350976  42.82479       1.492231  -4.170254      1.586654  
1 1 1 -16 10 35 o 43.36727 0.6696242 18.81240       0.5806980 18.36710       0.8136266 19.27475       0.8290523 -1.045998      1.339248  
1 1 1 -16 10 36 o 108.0685 1.198408  116.6347       2.583691  111.8776       3.506790  122.2830       3.821205  -4.795639      2.396816  
1 1 1 -16 10 37 o 61.22395 0.7851729 37.39729       0.9596046 35.60158       1.308690  39.48559       1.411281  -3.167683      1.570346  
1 1 1 -16 10 38 o 32.22002 0.6735922 10.38553       0.4333273 9.582762       0.6057088 11.22711       0.6201821 -2.551216      1.347184  
1 1 1 -16 10 39 o 47.90849 0.7043548 22.94982       0.6743181 23.48269       0.9779738 22.46689       0.9310178 1.058117       1.408710  
1 1 1 -16 10 40 o 46.24737 0.7019259 21.37783       0.6487713 20.45797       0.8981156 22.38164       0.9381986 -2.077797      1.403852  
1 1 1 -16 10 41 o 55.97147 0.7616153 31.35612       0.8523168 31.68300       1.222959  31.04739       1.188496  0.5659332      1.523231  
1 1 1 -16 10 42 o 56.23793 0.7756414 31.66139       0.8722865 31.10899       1.221440  32.23635       1.246129  -1.000782      1.551283  
1 1 1 -16 10 43 o 35.63675 0.7220199 12.61808       0.5108579 10.63894       0.6927197 14.97781       0.7563974 -6.083687      1.444040  
1 1 1 -16 10 44 o 57.14318 0.8590876 32.33453       0.9567870 34.39535       1.557736  31.08606       1.212446  2.866943       1.718175  
1 1 1 -16 10 45 o 49.07591 0.9228140 24.75724       0.8612897 22.03845       1.418174  26.34607       1.084126  -4.420246      1.845628  
1 1 1 -16 10 46 o 37.70358 1.013256  14.29004       0.7613314 12.86122       1.074000  15.73325       1.079390  -3.808086      2.026512  
1 1 1 -16 10 47 o 16.02324 1.500560  2.490937       0.4714965 3.277990       0.7504843 1.977708       0.6060316 4.031500       3.001121  
1 1 1 -16 10 48 o 14.78035 1.577385  2.242768       0.4489431 1.801900       0.6242427 2.715086       0.6461254 -3.277227      3.154769  
1 1 1 -16 10 49 o 31.90601 0.7869734 10.18071       0.5005867 10.48609       0.7424775 9.926224       0.6778074 0.8704338      1.573947  
1 1 1 -16 10 50 o 8.753855 1.800483  0.7405766      0.3439942 1.125409       0.5273001 0.4554533      0.4538771 3.164827       3.600965  
1 1 1 -16 10 51 o 51.18356 0.7988122 26.23991       0.8167295 26.81403       1.189613  25.72802       1.123297  1.052982       1.597624  
1 1 1 -16 10 52 f 26.65943 0.8677543 7.106274       0.4585458 7.326321       0.7013350 6.941974       0.6060199 0.7068920      1.735509  
1 1 1 -16 10 53 o 38.98676 0.8287953 15.24919       0.6457520 15.18763       0.8951434 15.31599       0.9324619 -0.1591682     1.657591  
1 1 1 -16 10 54 o 46.25585 1.021833  21.50030       0.9409718 24.37049       1.355228  18.82862       1.307524  5.981613       2.043667  
1 1 1 -16 10 55 o 25.10328 1.376361  6.316359       0.6680372 6.571801       1.104663  6.169076       0.8387992 0.7300701      2.752721  
1 1 1 -16 10 56 o 19.89056 1.683815  4.162539       0.6384446 3.489405       1.022578  4.592561       0.8173178 -2.844433      3.367630  
1 1 1 -16 10 57 o 24.70410 1.429116  6.004314       0.6938001 7.154591       1.115545  5.278710       0.8860044 3.724258       2.858231  
1 1 1 -16 10 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 11 1  o 42.85890 0.9838011 18.02412       0.8351983 21.52891       1.286273  15.46932       1.098196  7.067265       1.967602  
1 1 1 -16 11 2  o 179.1903 2.685580  321.7629       9.624126  323.4887       13.69153  320.0773       13.53104  0.9473572      5.371160  
1 1 1 -16 11 3  o 198.3867 2.960425  394.3623       11.74069  401.5617       16.91710  387.6725       16.30738  3.481781       5.920849  
1 1 1 -16 11 4  o 131.2757 2.008855  172.5086       5.273485  171.0853       7.382709  173.9912       7.535301  -1.103622      4.017709  
1 1 1 -16 11 5  o 80.82932 1.334332  65.21473       2.153583  67.96747       3.156686  62.81797       2.945519  3.182541       2.668663  
1 1 1 -16 11 6  o 123.9821 1.333181  153.2887       3.296814  147.3715       4.468969  160.3539       4.883337  -5.229996      2.666362  
1 1 1 -16 11 7  o 189.6107 1.994461  359.9309       7.563396  360.5946       10.71443  359.2717       10.67818  0.3481293      3.988922  
1 1 1 -16 11 8  o 142.4104 1.518655  202.4540       4.316918  210.3708       6.348997  195.6469       5.887212  5.162415       3.037310  
1 1 1 -16 11 9  o 126.1878 1.356944  159.1974       3.422475  162.5938       4.945857  156.0767       4.740870  2.579437       2.713889  
1 1 1 -16 11 10 o 222.1027 2.327343  492.9053       10.31737  511.7130       15.17838  476.7513       14.06687  7.843842       4.654687  
1 1 1 -16 11 11 o 124.7148 1.341983  155.5723       3.346452  153.5940       4.669723  157.6609       4.798083  -1.628670      2.683966  
1 1 1 -16 11 12 o 27.95338 0.5752051 7.779322       0.3208461 8.461564       0.4720551 7.193540       0.4374122 2.267893       1.150410  
1 1 1 -16 11 13 f 79.85416 0.9130801 63.75422       1.457809  62.68328       2.030974  64.89242       2.093767  -1.382614      1.826160  
1 1 1 -16 11 14 o 181.3216 1.912232  329.1198       6.934082  331.3279       9.877324  326.9742       9.736734  1.197586       3.824464  
1 1 1 -16 11 15 o 178.3392 2.675218  318.5344       9.536020  312.5505       13.21070  325.0442       13.77919  -3.485825      5.350435  
1 1 1 -16 11 16 o 226.5699 2.373370  514.1439       10.75242  520.2042       15.39664  508.3744       15.02269  2.600525       4.746740  
1 1 1 -16 11 17 o 169.7414 1.794297  287.4291       6.073555  276.1519       8.221675  300.9759       9.011114  -7.295624      3.588594  
1 1 1 -16 11 18 f 36.16592 0.6136891 13.08533       0.4437603 12.81184       0.6304680 13.35386       0.6247153 -0.7493973     1.227378  
1 1 1 -16 11 19 o 230.6626 2.417908  531.3684       11.12120  510.9847       15.05009  555.8867       16.50605  -9.687408      4.835816  
1 1 1 -16 11 20 o 65.10149 0.7933239 42.15346       1.028871  45.01875       1.540380  39.84549       1.382479  3.971462       1.586648  
1 1 1 -16 11 21 o 28.37619 0.7261815 7.686239       0.4021678 6.375008       0.5062673 9.928838       0.6620883 -6.260271      1.452363  
1 1 1 -16 11 22 o 124.5155 1.347549  154.2652       3.340086  164.1488       5.024614  146.4399       4.470909  7.099228       2.695098  
1 1 1 -16 11 23 f 38.27493 0.6363395 14.60636       0.4861285 15.36137       0.7159060 13.96036       0.6622088 1.829620       1.272679  
1 1 1 -16 11 24 o 135.1541 1.451877  182.8627       3.924505  183.2977       5.564799  182.4322       5.535494  0.3194580      2.903754  
1 1 1 -16 11 25 o 65.48479 0.8030003 42.85257       1.050783  43.95937       1.524548  41.85096       1.450293  1.608620       1.606001  
1 1 1 -16 11 26 o 163.0545 1.733705  265.5119       5.638352  277.5780       8.351428  255.4055       7.643224  6.771484       3.467409  
1 1 1 -16 11 27 o 160.0016 1.701849  256.5142       5.445957  256.7020       7.710973  256.3273       7.692554  0.1163177      3.403697  
1 1 1 -16 11 28 o 106.7893 1.178943  113.5256       2.506875  120.6952       3.764084  107.8106       3.360635  6.019714       2.357885  
1 1 1 -16 11 29 o 129.6235 1.723739  168.3452       4.201590  168.1279       5.131048  168.7872       7.319856  -0.1398315     3.447478  
1 1 1 -16 11 30 o 42.30627 0.8744282 17.53832       0.7167155 16.50339       0.8960341 19.37661       1.194194  -3.387062      1.748856  
1 1 1 -16 11 31 o 48.97249 1.014690  23.99664       0.9935538 23.22297       1.389979  24.80491       1.420719  -1.614044      2.029381  
1 1 1 -16 11 32 o 73.90337 1.265066  54.63246       1.867894  56.47905       2.718457  52.98088       2.570914  2.359253       2.530131  
1 1 1 -16 11 33 o 28.66008 1.026964  8.225213       0.5832775 6.810853       0.8070408 9.771918       0.8439547 -5.164165      2.053928  
1 1 1 -16 11 34 o 66.46183 1.192735  44.24926       1.585291  44.59820       2.259827  43.91116       2.224471  0.5149231      2.385469  
1 1 1 -16 11 35 f 66.03961 1.754970  43.50244       2.306419  40.98690       3.081123  46.70856       3.478437  -4.297401      3.509940  
1 1 1 -16 11 36 f 37.91661 0.9080402 13.93207       0.6604105 16.00007       1.135246  12.87424       0.8119339 4.106373       1.816080  
1 1 1 -16 11 37 o 69.47368 1.061033  48.71065       1.388286  47.27138       2.391350  49.44234       1.705033  -1.602089      2.122067  
1 1 1 -16 11 38 o 43.63911 0.8788842 17.86239       0.6753231 21.64225       1.374656  16.65995       0.7753343 5.676739       1.757768  
1 1 1 -16 11 39 o 54.90438 0.7594400 30.09002       0.8317436 31.35315       1.230526  29.02747       1.128599  2.112549       1.518880  
1 1 1 -16 11 40 f 65.29282 0.8342670 42.17646       1.079954  46.51050       1.665868  39.03455       1.418381  5.710419       1.668534  
1 1 1 -16 11 41 o 59.83353 0.8052185 35.84661       0.9627742 35.98983       1.391617  35.71512       1.333386  0.2258644      1.610437  
1 1 1 -16 11 42 o 19.22275 1.184130  3.545134       0.4383255 4.308213       0.7519884 3.152454       0.5394430 2.984686       2.368260  
1 1 1 -16 11 43 f 66.03330 1.186524  43.76521       1.565855  43.84925       2.259059  43.68749       2.172389  0.1127625      2.373049  
1 1 1 -16 11 44 o 24.77122 1.120970  6.268355       0.5437732 5.497517       0.8263581 6.857047       0.7221551 -2.756157      2.241941  
1 1 1 -16 11 45 o 39.21063 0.8657862 15.23457       0.6607981 14.68031       0.8358968 16.15807       1.078980  -1.861591      1.731572  
1 1 1 -16 11 46 o 87.32257 1.031656  76.47737       1.800638  77.76512       2.600407  75.29116       2.495788  1.403831       2.063312  
1 1 1 -16 11 47 o 24.27914 0.8542506 5.879079       0.4122239 6.178881       0.6246627 5.647801       0.5486512 1.085390       1.708501  
1 1 1 -16 11 48 o 47.34407 0.7702846 22.46506       0.7289082 22.47945       1.049782  22.45165       1.012873  0.2550507E-01  1.540569  
1 1 1 -16 11 49 o 5.484403 1.665597  -0.2542268E-01 0.3249201 -0.4834400E-01 0.5041990 -0.9142977E-02 0.4249184 0.3637829      3.331193  
1 1 1 -16 11 50 o 75.83722 0.9502212 57.69669       1.440340  58.58141       2.080186  56.88189       1.996301  1.108803       1.900442  
1 1 1 -16 11 51 o 42.44886 0.7869495 18.07966       0.6674111 17.08911       0.9418743 19.07861       0.9458618 -2.342907      1.573899  
1 1 1 -16 11 52 o 27.53588 0.8903118 7.608211       0.4879794 7.652297       0.7273383 7.572122       0.6580643 0.1347466      1.780624  
1 1 1 -16 11 53 o 13.44338 1.891089  1.891335       0.4988481 1.066224       0.6839145 2.829379       0.7292182 -6.555067      3.782179  
1 1 1 -16 11 54 o 26.47716 1.292255  6.856999       0.6728444 8.354169       1.077914  5.901248       0.8612335 4.578033       2.584510  
1 1 1 -16 11 55 o 10.79841 2.318735  1.211051       0.5311587 1.150377       0.8976150 1.243745       0.6589032 -0.8240891E-01 4.637471  
1 1 1 -16 11 56 f 23.50502 1.398816  5.541973       0.6424561 5.829648       1.035626  5.362005       0.8191241 0.9273396      2.797633  
1 1 1 -16 11 57 o 17.52139 2.085038  3.198842       0.7025790 2.444724       0.9617593 4.061793       1.028821  -4.842067      4.170077  
1 1 1 -16 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 12 1  o 171.8811 2.583952  296.0590       8.882119  294.2322       12.47939  297.9344       12.64466  -1.071991      5.167905  
1 1 1 -16 12 2  o 228.5889 3.400307  522.7525       15.50159  546.5856       22.97801  502.8454       21.00036  9.490402       6.800615  
1 1 1 -16 12 3  o 186.5591 2.795172  348.7650       10.42587  354.4352       14.97806  343.4353       14.52135  2.933670       5.590345  
1 1 1 -16 12 4  o 119.4600 1.847821  141.7710       4.388192  152.4685       6.660946  133.5681       5.832853  7.893570       3.695643  
1 1 1 -16 12 5  o 124.0240 1.913346  153.3482       4.729735  146.6521       6.379272  161.5226       7.048378  -5.980682      3.826692  
1 1 1 -16 12 6  o 204.0582 2.143671  416.9058       8.747075  421.6661       12.51489  412.3594       12.23048  2.273605       4.287342  
1 1 1 -16 12 7  o 49.59171 0.6615786 24.57191       0.6557530 25.27075       0.9484345 23.93189       0.9076585 1.349583       1.323157  
1 1 1 -16 12 8  o 244.4876 2.557669  598.5631       12.49900  610.3427       18.05060  587.7125       17.32427  4.607376       5.115338  
1 1 1 -16 12 9  o 165.8757 1.755378  273.6598       5.792330  291.7558       8.750588  259.5474       7.727637  9.688492       3.510756  
1 1 1 -16 12 10 o 109.3039 1.192800  119.4849       2.606800  121.2183       3.741089  117.8488       3.634370  1.539902       2.385600  
1 1 1 -16 12 11 o 61.88126 0.7606578 37.71237       0.9319420 34.38288       1.217237  42.42852       1.448707  -6.498856      1.521316  
1 1 1 -16 12 12 o 90.13739 1.015700  81.16709       1.829353  83.68624       2.657650  78.89877       2.521878  2.654068       2.031400  
1 1 1 -16 12 13 o 171.9469 1.818794  294.9922       6.237038  283.6372       8.448677  308.5922       9.246184  -7.239502      3.637588  
1 1 1 -16 12 14 o 125.6803 1.353565  157.1111       3.385801  167.2682       5.099114  149.1015       4.528079  7.217987       2.707131  
1 1 1 -16 12 15 o 56.20073 0.8463100 31.52779       0.9500425 32.86197       1.387269  30.34944       1.303743  2.234428       1.692620  
1 1 1 -16 12 16 o 127.4700 1.374108  162.1508       3.495096  156.3924       4.753458  168.9277       5.156763  -4.909698      2.748216  
1 1 1 -16 12 17 o 76.67532 0.8906187 58.67459       1.363424  61.01754       2.000397  56.64189       1.863245  2.851669       1.781237  
1 1 1 -16 12 18 o 235.8163 2.470529  557.1146       11.64474  546.7364       16.13494  568.3964       16.82289  -4.567429      4.941057  
1 1 1 -16 12 19 o 225.9643 2.369732  511.7870       10.70819  516.3785       15.28787  507.3648       15.00346  1.983994       4.739465  
1 1 1 -16 12 20 o 94.96311 1.063620  90.05994       2.017365  93.30386       2.947338  87.20055       2.767148  3.210419       2.127239  
1 1 1 -16 12 21 f 22.16743 0.6907299 4.883883       0.3051638 5.299903       0.4553611 4.544724       0.4111509 1.702841       1.381460  
1 1 1 -16 12 22 o 73.76978 0.8708334 53.86613       1.275141  59.02630       1.954410  50.04144       1.682603  6.085472       1.741667  
1 1 1 -16 12 23 o 147.7640 1.577841  218.6536       4.662927  218.1005       6.578814  219.2120       6.610047  -0.3751068     3.155683  
1 1 1 -16 12 24 o 45.56255 0.6750365 20.67646       0.6137797 19.34907       0.8356138 22.23174       0.9045044 -3.162392      1.350073  
1 1 1 -16 12 25 o 95.48485 1.071230  90.79302       2.037874  96.20116       3.047308  86.41760       2.740952  5.115311       2.142461  
1 1 1 -16 12 26 o 151.9084 1.621278  231.1470       4.924622  228.4133       6.878005  234.0227       7.054274  -1.838852      3.242556  
1 1 1 -16 12 27 o 75.78847 0.8956551 56.52869       1.341242  63.49357       2.103944  51.76041       1.740836  7.731178       1.791310  
1 1 1 -16 12 28 o 54.64183 0.7269099 29.79905       0.7930445 31.07690       1.163530  28.69036       1.083780  2.181927       1.453820  
1 1 1 -16 12 29 o 92.19984 1.040970  84.71548       1.912875  89.49567       2.852273  80.80806       2.578784  4.701653       2.081939  
1 1 1 -16 12 30 o 33.89082 0.6462637 11.34055       0.4348560 12.78348       0.6657891 10.26705       0.5742690 3.710411       1.292527  
1 1 1 -16 12 31 o 17.62876 0.8176770 3.071653       0.2864986 3.515876       0.4342949 2.729382       0.3812150 2.228893       1.635354  
1 1 1 -16 12 32 o 55.44976 0.7417996 30.71161       0.8215143 31.80131       1.200621  29.75228       1.126511  1.845177       1.483599  
1 1 1 -16 12 33 o 136.0142 1.468730  185.4223       3.993598  182.1625       5.549125  188.9248       5.751935  -2.471893      2.937460  
1 1 1 -16 12 34 o 20.07237 1.071586  4.168398       0.4142179 2.968090       0.5993322 5.266052       0.5731311 -5.725555      2.143172  
1 1 1 -16 12 35 o 15.45353 0.9422150 2.369207       0.2889890 2.564612       0.4427043 2.224113       0.3814801 1.098598       1.884430  
1 1 1 -16 12 36 o 61.16160 0.7928615 37.38459       0.9690744 35.78931       1.339377  39.13715       1.403852  -2.734028      1.585723  
1 1 1 -16 12 37 f 16.47131 1.004520  2.733805       0.3271948 2.247644       0.4598230 3.232429       0.4656792 -2.989038      2.009039  
1 1 1 -16 12 38 o 54.82821 1.080478  30.12645       1.184427  31.20572       1.685678  29.07402       1.664585  1.942398       2.160957  
1 1 1 -16 12 39 o 66.02471 1.662175  43.71240       2.194893  43.71240       2.194893  ?              ?         ?              ?         
1 1 1 -16 12 40 o 61.11243 2.308400  37.56892       2.821438  37.56892       2.821438  ?              ?         ?              ?         
1 1 1 -16 12 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 12 42 o 19.70073 1.569081  3.872380       0.6150051 3.584302       0.8200282 4.242722       0.9297690 -1.654896      3.138162  
1 1 1 -16 12 43 o 10.12148 2.121061  1.047483       0.4780171 0.6545208      0.6990968 1.392523       0.6550840 -2.768523      4.242122  
1 1 1 -16 12 44 o 27.74438 1.147478  7.732838       0.6360958 7.614714       0.9160109 7.842850       0.8839938 -0.4150925     2.294955  
1 1 1 -16 12 45 o 64.59966 1.225749  41.91516       1.583199  40.96868       2.206912  42.91873       2.272491  -1.499962      2.451498  
1 1 1 -16 12 46 o 49.29596 1.116946  24.35094       1.099822  25.61623       1.605134  23.23120       1.509990  2.405682       2.233892  
1 1 1 -16 12 47 o 24.59206 1.256514  6.063474       0.6169484 6.524092       0.9025042 5.659400       0.8452963 1.748392       2.513028  
1 1 1 -16 12 48 o 27.47617 1.218003  7.581794       0.6677544 6.883725       0.9260676 8.337835       0.9637539 -2.639750      2.436006  
1 1 1 -16 12 49 o 11.43914 2.152633  1.409368       0.5202399 0.8698342      0.7803612 1.840993       0.6979741 -3.580166      4.305267  
1 1 1 -16 12 50 f 51.57401 1.159428  26.75760       1.195920  26.63549       1.690245  26.88000       1.692329  -0.2366714     2.318856  
1 1 1 -16 12 51 o 35.86504 1.169663  12.90471       0.8375252 13.80752       1.228115  12.11980       1.145115  2.335934       2.339326  
1 1 1 -16 12 52 o 38.45592 1.449088  15.03440       1.055618  15.23403       1.304239  14.65524       1.797434  0.8768654      2.898176  
1 1 1 -16 12 53 o 10.40321 2.837576  0.7883154      0.8323807 0.7121031      1.250003  0.8490341      1.115734  0.2980900E-01  5.675153  
1 1 1 -16 12 54 o 27.77155 2.589500  0.000000       0.000000  ?              ?         7.858554       1.438288  ?              ?         
1 1 1 -16 12 55 o 21.00554 3.035042  0.000000       0.000000  ?              ?         4.539713       1.275054  ?              ?         
1 1 1 -16 12 56 o 40.16890 1.649951  0.000000       0.000000  ?              ?         16.27317       1.325534  ?              ?         
1 1 1 -16 12 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 13 1  o 86.89041 1.421657  75.55397       2.470479  76.19656       3.511889  74.92446       3.475957  0.7313080      2.843315  
1 1 1 -16 13 2  o 102.6447 1.625910  105.3464       3.334969  108.2088       4.838869  102.7566       4.602705  2.650757       3.251821  
1 1 1 -16 13 3  o 128.9069 1.982558  165.0590       5.078761  178.0208       7.725702  155.1945       6.739736  8.828186       3.965117  
1 1 1 -16 13 4  o 226.7041 3.376552  515.7647       15.30190  525.4142       22.06271  506.8206       21.24099  4.065247       6.753105  
1 1 1 -16 13 5  o 142.6037 2.171508  203.6393       6.191819  206.4474       8.874627  200.9758       8.643073  1.912064       4.343016  
1 1 1 -16 13 6  o 77.75262 0.8946328 59.54221       1.375701  66.60119       2.148725  54.63867       1.790871  7.688629       1.789266  
1 1 1 -16 13 7  o 146.5107 1.560948  214.6579       4.570677  219.4470       6.614719  210.2819       6.322973  3.122070       3.121896  
1 1 1 -16 13 8  o 116.8887 1.265512  136.6040       2.956690  139.5521       4.271887  133.8931       4.096413  2.417877       2.531025  
1 1 1 -16 13 9  o 70.44777 0.8304083 49.63948       1.169967  49.44518       1.646438  49.83769       1.662850  -0.2784042     1.660817  
1 1 1 -16 13 10 o 160.7724 1.704171  258.7339       5.479359  260.4237       7.799642  257.0873       7.699300  1.035385       3.408343  
1 1 1 -16 13 11 o 31.55699 0.5805395 9.960244       0.3663393 9.728571       0.5171894 10.19352       0.5189791 -0.7366714     1.161079  
1 1 1 -16 13 12 o 201.7088 2.120642  407.1128       8.546990  417.5982       12.41422  397.6636       11.78486  4.923248       4.241284  
1 1 1 -16 13 13 o 151.0281 1.607099  228.2560       4.852972  231.2946       6.962689  225.3851       6.767740  1.951996       3.214198  
1 1 1 -16 13 14 o 123.8835 1.337742  153.3981       3.311163  157.5710       4.813796  149.6508       4.561748  3.191673       2.675484  
1 1 1 -16 13 15 o 66.57941 0.8016481 44.03075       1.062323  47.42355       1.600855  41.36106       1.420047  4.550606       1.603296  
1 1 1 -16 13 16 o 153.8437 1.636150  236.9345       5.033744  235.1594       7.060553  238.7695       7.178489  -1.170273      3.272299  
1 1 1 -16 13 17 o 177.5503 1.875462  315.7280       6.659429  317.4822       9.475724  314.0161       9.361032  0.9726257      3.750923  
1 1 1 -16 13 18 o 23.86467 0.6503422 5.712623       0.3094051 5.236856       0.4406791 6.175174       0.4345158 -1.965981      1.300684  
1 1 1 -16 13 19 f 111.9273 1.224246  124.7427       2.729663  132.1628       4.085335  118.7585       3.668822  5.978973       2.448492  
1 1 1 -16 13 20 f 141.0305 1.510677  199.1433       4.261031  199.0409       6.024892  199.2458       6.027123  -0.7257080E-01 3.021355  
1 1 1 -16 13 21 o 67.79826 0.8222110 45.92390       1.113947  44.56808       1.537202  47.42324       1.616507  -2.104240      1.644422  
1 1 1 -16 13 22 o 152.6577 1.626717  233.3886       4.965776  235.8794       7.101480  231.0053       6.946424  1.590744       3.253434  
1 1 1 -16 13 23 o 32.25124 0.6349994 10.40259       0.4092261 9.816216       0.5738459 11.00938       0.5837473 -1.849651      1.269999  
1 1 1 -16 13 24 f 138.1042 1.483425  190.6680       4.090896  197.3158       5.990763  184.8595       5.599805  4.494675       2.966850  
1 1 1 -16 13 25 o 63.32368 0.7891062 40.05584       0.9981932 41.36576       1.455249  38.89191       1.371764  1.951435       1.578212  
1 1 1 -16 13 26 f 56.46973 0.7376200 31.35289       0.8246791 28.15145       1.076969  35.89110       1.282251  -6.848099      1.475240  
1 1 1 -16 13 27 o 89.60391 1.016368  80.35946       1.821258  80.93090       2.595845  79.80547       2.555915  0.6266403      2.032737  
1 1 1 -16 13 28 o 114.5935 1.254543  130.7719       2.862007  139.0425       4.302862  124.2096       3.832780  6.451340       2.509086  
1 1 1 -16 13 29 o 83.99310 0.9682100 70.23782       1.619705  74.69520       2.427972  66.66351       2.174198  4.771469       1.936420  
1 1 1 -16 13 30 o 136.0467 1.468096  185.4562       3.992333  189.1640       5.763509  182.0361       5.535418  2.604919       2.936192  
1 1 1 -16 13 31 o 43.32081 0.6789584 18.49797       0.5838298 16.10234       0.7740480 21.65938       0.8891966 -6.410263      1.357917  
1 1 1 -16 13 32 o 67.01474 0.8289235 44.86303       1.109301  46.48674       1.623920  43.44252       1.518917  2.267120       1.657847  
1 1 1 -16 13 33 f 86.51498 1.263029  75.42693       2.173600  68.75345       3.140492  81.56320       3.011437  -7.411560      2.526059  
1 1 1 -16 13 34 o 57.93761 0.7694114 33.54509       0.8899163 34.42867       1.305272  32.77764       1.216478  1.421143       1.538823  
1 1 1 -16 13 35 o 75.47971 1.157518  57.40871       1.737340  53.02203       2.531161  61.31630       2.388942  -5.503677      2.315036  
1 1 1 -16 13 36 o 20.85508 1.069763  4.423272       0.4395504 3.789432       0.6469977 4.966572       0.5990086 -2.825399      2.139526  
1 1 1 -16 13 37 o 16.66177 1.294702  2.845270       0.4221727 2.354005       0.6270376 3.252620       0.5709771 -2.701633      2.589403  
1 1 1 -16 13 38 o 68.67441 1.035672  46.72710       1.340756  45.69660       1.633200  48.85705       2.348011  -2.249146      2.071344  
1 1 1 -16 13 39 o 17.07043 0.9580000 2.847327       0.3228825 3.432188       0.5073611 2.449229       0.4185871 2.872351       1.916000  
1 1 1 -16 13 40 o 28.43834 0.7396176 8.066980       0.4193711 8.478045       0.6232341 7.726847       0.5669183 1.317190       1.479235  
1 1 1 -16 13 41 o 39.48312 0.7236568 15.57578       0.5699799 16.07841       0.8418433 15.15035       0.7745069 1.170673       1.447314  
1 1 1 -16 13 42 o 50.00944 0.7562900 25.02796       0.7549301 25.40960       1.106636  24.69576       1.032482  0.7078896      1.512580  
1 1 1 -16 13 43 o 28.96249 0.7682177 8.392200       0.4433830 8.530357       0.6579165 8.277243       0.6001357 0.4321995      1.536435  
1 1 1 -16 13 44 o 6.373029 1.700235  0.2676540      0.3118980 -0.3573665E-01 0.4830867 0.4845211      0.4084329 -1.580391      3.400470  
1 1 1 -16 13 45 o 13.75470 1.271250  1.932473       0.3409132 1.754219       0.5314403 2.057119       0.4443996 -1.114772      2.542499  
1 1 1 -16 13 46 o 39.92142 0.7532368 15.98656       0.6006024 15.05023       0.8500239 16.92005       0.8487380 -2.342007      1.506474  
1 1 1 -16 13 47 o 82.09216 0.9964499 67.39535       1.632340  63.91714       2.219308  71.49471       2.409338  -4.589111      1.992900  
1 1 1 -16 13 48 o 22.72259 0.9648110 5.301639       0.4284644 4.320365       0.6347140 6.123163       0.5807552 -3.974424      1.929622  
1 1 1 -16 13 49 o 47.18591 0.7874257 22.24085       0.7411553 20.12750       1.016797  24.63658       1.082598  -4.770023      1.574851  
1 1 1 -16 13 50 o 32.38010 0.8121086 10.50423       0.5246701 10.71697       0.7723166 10.32190       0.7149864 0.6020012      1.624217  
1 1 1 -16 13 51 o 26.59226 0.8907247 7.117136       0.4719896 6.860647       0.6903212 7.342298       0.6467913 -0.9124489     1.781449  
1 1 1 -16 13 52 o 38.90437 1.010515  15.23266       0.7834884 15.42640       1.068005  15.00688       1.152898  0.5549431      2.021030  
1 1 1 -16 13 53 o 32.81482 1.203502  10.61712       0.7740043 12.02882       1.252126  9.744102       0.9846650 3.417183       2.407004  
1 1 1 -16 13 54 o 47.46994 1.154395  22.59037       1.085787  23.61189       1.667604  21.83862       1.430574  1.809097       2.308790  
1 1 1 -16 13 55 o 9.035589 2.165572  0.6194130      0.5636392 -0.5416692     0.8913488 1.393014       0.7275697 -4.807704      4.331144  
1 1 1 -16 13 56 o 10.00136 2.420042  0.9492228      0.5717427 1.072392       0.9175891 0.8710549      0.7309900 1.031957       4.840085  
1 1 1 -16 13 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 14 1  o 43.52617 1.012732  18.95976       0.8813365 19.40140       1.242261  18.51219       1.250576  1.021599       2.025465  
1 1 1 -16 14 2  o 93.20604 1.507089  86.53714       2.798823  82.35429       3.766026  91.69755       4.182999  -5.002090      3.014177  
1 1 1 -16 14 3  o 127.6373 1.967289  162.8101       5.012704  169.2728       7.364049  157.2301       6.842696  4.701271       3.934578  
1 1 1 -16 14 4  o 107.6971 1.697234  115.6847       3.645105  121.8284       5.410470  110.5785       4.932529  5.210167       3.394467  
1 1 1 -16 14 5  o 105.1281 1.661148  110.3090       3.484846  115.6332       5.141495  105.7846       4.739631  4.673660       3.322296  
1 1 1 -16 14 6  o 137.3722 1.471024  188.8180       4.040372  191.7671       5.799478  186.0367       5.632097  2.081879       2.942048  
1 1 1 -16 14 7  o 201.6210 2.119426  407.3108       8.546381  408.1435       12.10748  406.4839       12.06545  0.4101563      4.238852  
1 1 1 -16 14 8  o 23.03383 0.5661073 5.312558       0.2604715 5.131801       0.3734663 5.483760       0.3634620 -0.7640934     1.132215  
1 1 1 -16 14 9  o 222.6035 2.334401  496.6994       10.39254  494.3886       14.62327  499.0575       14.77241  -1.043228      4.668801  
1 1 1 -16 14 10 o 67.86246 0.8130470 46.04736       1.103243  45.18892       1.539755  46.95300       1.581527  -1.299217      1.626094  
1 1 1 -16 14 11 o 148.4837 1.581996  220.7218       4.697995  220.3855       6.633320  221.0604       6.654670  -0.2267456     3.163993  
1 1 1 -16 14 12 o 26.28650 0.5879242 6.872279       0.3081572 7.428944       0.4579254 6.411552       0.4166001 1.934809       1.175848  
1 1 1 -16 14 13 o 104.3905 1.149189  108.9320       2.397418  106.4548       3.312554  111.6568       3.474137  -2.488609      2.298378  
1 1 1 -16 14 14 o 92.06604 1.493863  84.76562       2.748517  82.81839       3.797205  86.90855       3.983459  -2.216652      2.987726  
1 1 1 -16 14 15 o 96.53204 1.074265  92.92839       2.068719  97.38909       3.060564  89.17603       2.807067  4.249329       2.148529  
1 1 1 -16 14 16 o 175.7386 1.858556  309.2386       6.529688  304.2266       9.078432  314.6103       9.398636  -2.943359      3.717112  
1 1 1 -16 14 17 o 165.3855 1.755144  273.4203       5.795480  283.3304       8.501261  264.8158       7.921509  5.577301       3.510288  
1 1 1 -16 14 18 o 226.7354 2.380493  515.7736       10.79380  511.8530       15.13949  519.8266       15.39315  -1.745575      4.760986  
1 1 1 -16 14 19 o 15.15253 0.8106888 2.345551       0.2405190 1.905627       0.3535057 2.724730       0.3281935 -2.703308      1.621378  
1 1 1 -16 14 20 o 55.41983 0.7245366 30.06956       0.7929584 26.75978       1.026703  34.96247       1.248330  -7.396755      1.449073  
1 1 1 -16 14 21 f 70.07368 0.8401518 48.84137       1.172964  46.01024       1.577003  52.34710       1.754857  -4.517853      1.680304  
1 1 1 -16 14 22 o 119.8249 1.302783  143.5309       3.118089  139.4030       4.280579  148.1970       4.551134  -3.659981      2.605566  
1 1 1 -16 14 23 o 56.23052 0.7364739 31.18675       0.8208000 34.96020       1.268970  28.47236       1.076262  5.764755       1.472948  
1 1 1 -16 14 24 o 94.93372 1.066842  90.17315       2.024817  88.71288       2.817093  91.73383       2.912328  -1.587830      2.133684  
1 1 1 -16 14 25 o 37.61803 0.6425194 14.11636       0.4822087 14.70403       0.7125296 13.61977       0.6549904 1.439899       1.285039  
1 1 1 -16 14 26 f 74.94187 0.8869099 56.16656       1.328725  54.94418       1.845296  57.48281       1.914836  -1.691589      1.773820  
1 1 1 -16 14 27 o 73.20065 0.8736423 52.88474       1.266220  58.78856       1.966660  48.70459       1.654848  6.877396       1.747285  
1 1 1 -16 14 28 f 84.96055 0.9782525 72.20687       1.661184  73.87327       2.401949  70.67904       2.299910  1.875519       1.956505  
1 1 1 -16 14 29 o 119.5842 1.306207  142.7039       3.113189  150.3656       4.640860  136.4351       4.197828  5.798447       2.612413  
1 1 1 -16 14 30 o 96.71987 1.089113  93.27880       2.099334  98.45409       3.131369  89.05364       2.829363  4.844177       2.178226  
1 1 1 -16 14 31 o 107.0332 1.662760  114.8710       3.555676  117.8741       5.171842  112.1792       4.896424  2.637474       3.325521  
1 1 1 -16 14 32 o 95.09272 1.503094  90.51917       2.854050  87.15989       3.903451  94.37787       4.183564  -3.772888      3.006187  
1 1 1 -16 14 33 o 50.49025 0.9745751 25.43982       0.9823847 23.78274       1.344167  27.33979       1.439312  -3.517418      1.949150  
1 1 1 -16 14 34 o 62.34469 1.104273  38.46868       1.367130  35.04644       1.806611  43.05452       2.091312  -6.403938      2.208546  
1 1 1 -16 14 35 f 68.44035 1.014469  47.29520       1.339572  48.36623       1.695691  45.51715       2.184829  2.113960       2.028938  
1 1 1 -16 14 36 o 37.31323 0.6885291 13.94538       0.5129744 12.95789       0.7224678 14.94938       0.7284803 -2.668327      1.377058  
1 1 1 -16 14 37 o 41.98724 0.7000234 17.65455       0.5875036 17.38180       0.8412631 17.91420       0.8208250 -0.6350365     1.400047  
1 1 1 -16 14 38 o 44.16657 0.7096764 19.50829       0.6257520 19.86677       0.9162963 19.19500       0.8566096 0.7570610      1.419353  
1 1 1 -16 14 39 o 66.59424 0.8469340 43.95470       1.119213  48.10935       1.717701  40.88951       1.475399  5.402969       1.693868  
1 1 1 -16 14 40 o 21.91891 1.315642  4.878453       0.5687081 4.459891       0.8567643 5.208140       0.7603836 -1.718908      2.631284  
1 1 1 -16 14 41 o 34.95556 0.7286260 12.02175       0.5037779 13.70826       0.7870698 10.85129       0.6556888 4.076595       1.457252  
1 1 1 -16 14 42 o 56.33407 0.7865270 31.79016       0.8857096 31.95186       1.274639  31.63919       1.231633  0.2738495      1.573054  
1 1 1 -16 14 43 o 25.78133 0.8113459 6.542823       0.4142789 7.556762       0.6427391 5.822205       0.5418524 3.354412       1.622692  
1 1 1 -16 14 44 o 39.34020 0.7395257 15.50635       0.5808008 15.51116       0.8473886 15.50208       0.7976213 0.6912231E-02  1.479051  
1 1 1 -16 14 45 o 19.98017 0.9616486 3.963181       0.3805047 4.302455       0.5891486 3.720381       0.4983951 1.444910       1.923297  
1 1 1 -16 14 46 o 39.05563 0.7565595 15.30256       0.5898661 15.01369       0.8560306 15.56374       0.8139523 -0.7085762     1.513119  
1 1 1 -16 14 47 o 13.47650 1.353471  1.797816       0.3615021 2.094670       0.5579579 1.583049       0.4745844 1.881712       2.706941  
1 1 1 -16 14 48 o 57.69976 0.8260260 33.37996       0.9524919 33.65655       1.376860  33.12611       1.319052  0.4523621      1.652052  
1 1 1 -16 14 49 o 41.29745 0.7864119 17.13617       0.6479717 15.80529       0.9179873 18.45772       0.9147620 -3.211800      1.572824  
1 1 1 -16 14 50 o 30.08725 0.8350515 9.086666       0.4990937 9.059944       0.7500783 9.107898       0.6685811 -0.9166908E-01 1.670103  
1 1 1 -16 14 51 o 9.139299 2.096327  0.8242556      0.4366505 0.7489669      0.5903991 0.9151621      0.6487514 -0.7678404     4.192654  
1 1 1 -16 14 52 o 19.61236 1.567569  3.933010       0.5941331 3.762280       0.9624473 4.038131       0.7552065 -0.7666664     3.135139  
1 1 1 -16 14 53 o 19.06835 1.638048  3.542538       0.6041969 4.291494       1.023553  3.142002       0.7485201 2.919689       3.276095  
1 1 1 -16 14 54 o 24.26147 1.424363  6.048539       0.6680086 5.593528       1.070705  6.338527       0.8547693 -1.602390      2.848727  
1 1 1 -16 14 55 o 12.91939 2.371619  1.661794       0.6011910 2.351184       1.025196  1.300470       0.7422017 3.673438       4.743239  
1 1 1 -16 14 56 o 12.36591 2.652272  1.703248       0.6950016 0.9839543      1.383925  1.945835       0.8036988 -2.215110      5.304544  
1 1 1 -16 14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 15 1  o 124.5546 1.932970  155.0651       4.805327  149.4633       6.547642  161.6045       7.074402  -4.852966      3.865939  
1 1 1 -16 15 2  o 156.6575 2.378266  246.1870       7.451375  247.2058       10.56964  245.1804       10.50631  0.6434784      4.756533  
1 1 1 -16 15 3  o 21.91695 1.197713  4.816055       0.5235693 5.225721       0.7403722 4.406242       0.7405053 1.869513       2.395426  
1 1 1 -16 15 4  o 84.22144 1.398889  70.64719       2.347531  67.09909       3.158880  75.02385       3.508378  -4.695541      2.797778  
1 1 1 -16 15 5  o 155.1675 1.652652  240.8497       5.124187  247.0521       7.437741  235.2460       7.069654  3.793076       3.305303  
1 1 1 -16 15 6  o 222.6248 2.339347  496.9391       10.41431  492.6169       14.57615  501.4462       14.88482  -1.969772      4.678695  
1 1 1 -16 15 7  o 77.65942 0.8960432 60.25504       1.390367  62.06869       2.021096  58.62563       1.915688  2.215034       1.792086  
1 1 1 -16 15 8  o 141.3237 1.510776  199.8576       4.268335  196.6452       5.932967  203.3040       6.145306  -2.349976      3.021551  
1 1 1 -16 15 9  f 79.17052 0.9109331 62.68676       1.442014  61.85735       2.012125  63.56256       2.067637  -1.075981      1.821866  
1 1 1 -16 15 10 f 133.1411 1.430631  177.3953       3.808390  174.9395       5.308821  179.9991       5.466388  -1.895813      2.861262  
1 1 1 -16 15 11 o 100.7589 1.113229  101.5597       2.242779  100.2095       3.129343  102.9857       3.215969  -1.375740      2.226459  
1 1 1 -16 15 12 o 94.21669 1.054464  88.69724       1.984728  91.38002       2.890639  86.30450       2.729911  2.690117       2.108928  
1 1 1 -16 15 13 o 111.2901 1.217513  123.8143       2.707319  120.7737       3.731262  127.1946       3.934251  -2.879585      2.435026  
1 1 1 -16 15 14 o 94.81544 1.061134  89.69743       2.007813  93.79507       2.960692  86.20828       2.732027  3.995567       2.122267  
1 1 1 -16 15 15 f 89.01552 1.006087  79.27700       1.790936  79.98425       2.556467  78.59537       2.509712  0.7790985      2.012175  
1 1 1 -16 15 16 o 53.64679 0.7078625 28.65438       0.7570480 30.42515       1.127024  27.19845       1.021930  3.005638       1.415725  
1 1 1 -16 15 17 o 145.6864 1.558490  212.1569       4.533246  219.7410       6.648325  205.5668       6.197361  4.847778       3.116979  
1 1 1 -16 15 18 o 107.7317 1.184740  116.1595       2.552371  117.2852       3.644114  115.0755       3.576043  1.023499       2.369481  
1 1 1 -16 15 19 o 109.6543 1.203681  120.3659       2.639627  121.1029       3.757086  119.6474       3.709363  0.6620789      2.407362  
1 1 1 -16 15 20 o 74.05162 0.8764465 54.72810       1.295704  52.61240       1.768895  57.17747       1.903280  -3.078918      1.752893  
1 1 1 -16 15 21 o 51.75714 0.7000278 26.74989       0.7237651 27.79454       1.055534  25.82289       0.9943228 1.903370       1.400056  
1 1 1 -16 15 22 o 79.97649 0.9283672 63.61543       1.478118  68.03860       2.223308  60.11181       1.978749  4.948219       1.856734  
1 1 1 -16 15 23 f 11.28196 1.099990  1.337407       0.2325505 0.9978698      0.3436733 1.624173       0.3158391 -2.915303      2.199980  
1 1 1 -16 15 24 o 57.90070 0.7497087 33.31573       0.8643261 35.92922       1.299173  31.24041       1.157706  4.045238       1.499417  
1 1 1 -16 15 25 o 120.0389 1.308264  144.3193       3.139975  146.3019       4.504810  142.4458       4.379051  1.599701       2.616528  
1 1 1 -16 15 26 o 25.91318 0.6713954 6.760745       0.3457845 6.115980       0.5004942 7.349566       0.4782875 -2.380871      1.342791  
1 1 1 -16 15 27 o 155.1861 1.660297  241.6712       5.153027  242.1323       7.309645  241.2156       7.265517  0.2920532      3.320594  
1 1 1 -16 15 28 o 111.1531 1.486542  124.8118       3.164313  120.7280       5.257469  127.1314       3.962354  -2.969055      2.973084  
1 1 1 -16 15 29 o 87.76288 1.399737  76.99817       2.450591  80.37991       3.624571  74.15068       3.325968  3.528282       2.799475  
1 1 1 -16 15 30 o 21.66613 0.9418284 4.712340       0.4049613 4.599285       0.6078829 4.802548       0.5429978 -0.4722710     1.883657  
1 1 1 -16 15 31 f 58.62741 0.9106641 34.75209       1.039243  35.98289       1.338304  32.88256       1.649405  2.659321       1.821328  
1 1 1 -16 15 32 o 54.43307 0.7453182 29.61182       0.8105460 30.58504       1.179640  28.74138       1.115608  1.690800       1.490636  
1 1 1 -16 15 33 o 39.52751 0.6776094 15.57174       0.5341380 16.47037       0.7929048 14.82514       0.7227329 2.078140       1.355219  
1 1 1 -16 15 34 o 56.35599 0.7612931 31.79673       0.8579890 31.23609       1.211268  32.36129       1.215503  -0.9980698     1.522586  
1 1 1 -16 15 35 o 7.053599 1.657257  0.4752141      0.2720167 0.4203463      0.4252451 0.5132132      0.3538891 -0.2326398     3.314514  
1 1 1 -16 15 36 o 30.03810 0.7019235 9.064064       0.4199092 8.607560       0.6130522 9.467516       0.5763302 -1.433399      1.403847  
1 1 1 -16 15 37 o 36.04323 0.7009425 12.93961       0.5026326 11.19089       0.6867079 14.95760       0.7376863 -5.222301      1.401885  
1 1 1 -16 15 38 f 77.18498 0.9310989 59.44283       1.432230  62.69674       2.136480  56.78703       1.930158  3.811180       1.862198  
1 1 1 -16 15 39 o 18.21066 0.9251787 3.144575       0.3258679 4.588602       0.5292607 2.262934       0.4135497 6.374987       1.850357  
1 1 1 -16 15 40 o 108.6639 1.220909  118.0100       2.642369  124.8289       3.958851  112.5315       3.548486  5.605942       2.441818  
1 1 1 -16 15 41 o 26.75146 0.8015428 7.260113       0.4233904 6.376232       0.6246201 8.011420       0.5758747 -3.060503      1.603086  
1 1 1 -16 15 42 o 31.07072 0.7501897 9.458864       0.4603717 11.08436       0.7241128 8.356069       0.5964326 4.379122       1.500379  
1 1 1 -16 15 43 o 23.92903 0.8635045 5.835365       0.4058499 5.100199       0.6097944 6.419969       0.5437785 -2.764824      1.727009  
1 1 1 -16 15 44 f 23.40200 0.8641126 5.403886       0.4010552 6.238119       0.6170368 4.793660       0.5277318 3.075783       1.728225  
1 1 1 -16 15 45 o 29.35452 0.7832228 8.623423       0.4571007 8.765185       0.6872790 8.510976       0.6121076 0.4248486      1.566446  
1 1 1 -16 15 46 o 40.27324 0.7574186 15.96319       0.6037260 18.36890       0.9402722 14.27573       0.7874951 5.064819       1.514837  
1 1 1 -16 15 47 o 23.04370 0.9197956 5.291823       0.4186585 5.562634       0.6518058 5.101635       0.5462316 0.9854069      1.839591  
1 1 1 -16 15 48 o 30.59104 0.8211232 9.238809       0.4964637 10.35038       0.7776851 8.474193       0.6449960 3.047852       1.642246  
1 1 1 -16 15 49 o 39.57113 0.7927937 15.71211       0.6248083 13.87040       0.8716062 17.65891       0.8961287 -4.783558      1.585587  
1 1 1 -16 15 50 o 24.72664 1.056710  6.227410       0.5149445 6.757615       0.6918109 5.568690       0.7711084 2.419199       2.113420  
1 1 1 -16 15 51 o 14.53515 1.981956  1.991788       0.5458100 3.070930       0.9509968 1.461710       0.6665151 5.616685       3.963913  
1 1 1 -16 15 52 o 31.20655 1.191105  9.800582       0.7337231 9.934086       1.136064  9.705044       0.9610409 0.3240509      2.382210  
1 1 1 -16 15 53 o 40.33153 1.169753  16.57207       0.9310942 15.17934       1.399320  17.67860       1.247287  -3.137581      2.339505  
1 1 1 -16 15 54 f 24.30444 1.386775  5.760142       0.6562319 6.949950       1.090470  5.084613       0.8216704 3.752340       2.773550  
1 1 1 -16 15 55 o 12.50037 2.303764  1.759843       0.5837872 1.214690       0.9806759 2.059065       0.7265459 -2.902314      4.607529  
1 1 1 -16 15 56 o 13.54392 2.597980  1.968520       0.7449303 2.639019       1.059912  1.314028       1.047184  4.178712       5.195961  
1 1 1 -16 16 1  o 154.6917 2.352580  240.1539       7.276771  243.5437       10.42899  236.9377       10.15817  2.119324       4.705160  
1 1 1 -16 16 2  o 73.65261 1.274904  53.59823       1.860543  49.42333       2.437815  59.42250       2.879379  -6.774384      2.549807  
1 1 1 -16 16 3  o 30.73425 1.044020  9.451383       0.6406590 10.20775       0.9159651 8.726972       0.8964087 2.408510       2.088041  
1 1 1 -16 16 4  o 44.04190 1.019409  19.08886       0.8900017 16.98225       1.168413  22.00057       1.373655  -5.692284      2.038819  
1 1 1 -16 16 5  o 82.93401 1.182413  68.66686       1.820766  69.31992       3.255659  68.36964       2.196365  0.5442200      2.364826  
1 1 1 -16 16 6  o 108.9396 1.190905  118.3445       2.587106  124.3568       3.840313  113.3487       3.500669  5.042969       2.381810  
1 1 1 -16 16 7  o 45.47050 0.6436403 19.72975       0.5698741 25.10389       0.9478068 16.68696       0.7131835 9.251865       1.287281  
1 1 1 -16 16 8  o 77.04083 0.8910435 59.35577       1.372471  58.35511       1.911031  60.42167       1.972356  -1.339951      1.782087  
1 1 1 -16 16 9  o 43.42490 0.6399215 18.85944       0.5556980 19.29469       0.7908012 18.43486       0.7810409 0.9898796      1.279843  
1 1 1 -16 16 10 o 103.6998 1.145501  107.4785       2.372990  104.6661       3.262653  110.6371       3.457658  -2.873665      2.291002  
1 1 1 -16 16 11 o 107.0719 1.179978  113.1038       2.497262  104.7063       3.247204  125.2599       3.906923  -9.579292      2.359956  
1 1 1 -16 16 12 o 59.80322 0.7528808 35.58570       0.8975021 33.50800       1.210398  38.12318       1.337639  -3.856274      1.505762  
1 1 1 -16 16 13 o 35.02225 1.015147  12.13945       0.7063265 14.27874       1.058454  10.42198       0.9483795 5.503319       2.030295  
1 1 1 -16 16 14 o 155.0166 1.654621  240.6108       5.126306  236.2091       7.094201  245.4207       7.415874  -2.957123      3.309243  
1 1 1 -16 16 15 o 58.27125 0.7457206 33.96975       0.8690702 33.89529       1.225428  34.04509       1.232706  -0.1283951     1.491441  
1 1 1 -16 16 16 o 142.4301 1.526892  203.0607       4.346087  207.8565       6.297847  198.7001       6.005184  3.201340       3.053785  
1 1 1 -16 16 17 o 60.47305 0.7639779 36.58778       0.9239935 36.77390       1.309717  36.40335       1.303752  0.3062401      1.527956  
1 1 1 -16 16 18 o 36.34536 0.6271381 13.05136       0.4529046 11.35085       0.6049604 15.21987       0.6831515 -5.321007      1.254276  
1 1 1 -16 16 19 o 96.92007 1.082876  93.94890       2.097444  96.22153       3.038557  91.88045       2.898841  2.234497       2.165752  
1 1 1 -16 16 20 o 57.46786 0.7434231 32.75459       0.8500400 30.30135       1.133796  35.90357       1.284544  -4.870422      1.486846  
1 1 1 -16 16 21 o 95.38102 1.070763  91.07886       2.042597  91.10145       2.893776  91.05642       2.883588  0.2322388E-01  2.141526  
1 1 1 -16 16 22 o 14.29130 0.8731079 2.010415       0.2474077 2.323618       0.3811988 1.782461       0.3252082 1.891451       1.746216  
1 1 1 -16 16 23 o 54.50391 0.7267997 29.72564       0.7921306 29.70632       1.130648  29.74427       1.110118  -0.3543854E-01 1.453599  
1 1 1 -16 16 24 o 51.67919 0.8425754 26.54178       0.8266233 27.32898       1.422087  26.14008       1.015873  1.135265       1.685151  
1 1 1 -16 16 25 o 42.10748 0.8656009 17.41386       0.7203404 19.93461       1.129849  15.68752       0.9350150 5.035477       1.731202  
1 1 1 -16 16 26 o 38.92714 0.8584214 15.17439       0.6677988 14.45699       0.9429477 15.89625       0.9458793 -1.848549      1.716843  
1 1 1 -16 16 27 o 66.81601 1.127984  44.60761       1.504045  46.39637       2.216632  43.08140       2.047504  2.471207       2.255967  
1 1 1 -16 16 28 o 65.46317 0.9701535 43.32804       1.232018  44.71684       1.576279  41.14759       1.975080  2.746170       1.940307  
1 1 1 -16 16 29 o 38.94933 0.6660406 15.07090       0.5166203 13.33994       0.7000794 17.14059       0.7655213 -4.876614      1.332081  
1 1 1 -16 16 30 o 124.2228 1.356438  154.6952       3.368756  157.1870       4.844045  152.3612       4.688064  1.930489       2.712875  
1 1 1 -16 16 31 o 43.61855 0.6873567 19.04566       0.5993943 18.86493       0.8574196 19.21840       0.8382486 -0.4059792     1.374713  
1 1 1 -16 16 32 o 18.78354 0.8185824 3.421838       0.3026507 4.303205       0.4795125 2.838247       0.3901897 3.894611       1.637165  
1 1 1 -16 16 33 o 79.73458 0.9425241 63.65922       1.502423  64.64700       2.161801  62.73639       2.089535  1.193329       1.885048  
1 1 1 -16 16 34 o 36.69624 0.6816354 13.45042       0.4986726 13.82105       0.7394137 13.14121       0.6753865 0.9231453      1.363271  
1 1 1 -16 16 35 o 20.38567 0.8207368 4.208206       0.3294329 3.860321       0.4999265 4.475210       0.4379734 -1.512201      1.641474  
1 1 1 -16 16 36 o 44.31414 0.7084793 19.66887       0.6275290 18.86735       0.8871582 20.47149       0.8877620 -1.809921      1.416959  
1 1 1 -16 16 37 o 45.38416 0.7154627 20.47746       0.6462892 22.09937       0.9739727 19.20148       0.8638808 3.185295       1.430925  
1 1 1 -16 16 38 o 22.16035 0.8254695 4.913738       0.3612206 4.962812       0.5582306 4.878389       0.4737811 0.1833630      1.650939  
1 1 1 -16 16 39 o 55.53410 1.144045  30.78314       1.266257  33.09157       1.889591  28.90155       1.705969  3.750271       2.288090  
1 1 1 -16 16 40 o 21.42564 0.8792211 4.454064       0.3706163 5.662122       0.5865870 3.651394       0.4781427 4.681631       1.758442  
1 1 1 -16 16 41 o 88.74132 1.038054  79.03599       1.842319  78.27091       2.596811  79.81132       2.614142  -0.8657532     2.076109  
1 1 1 -16 16 42 o 23.27539 0.8622373 5.413334       0.3970205 5.557420       0.6115739 5.308382       0.5219583 0.5250092      1.724475  
1 1 1 -16 16 43 o 28.85479 0.7927269 8.390967       0.4538799 7.933418       0.6748132 8.768960       0.6133467 -1.454409      1.585454  
1 1 1 -16 16 44 o 54.01018 0.7894968 29.25096       0.8525559 28.50536       1.208280  29.99022       1.203129  -1.375191      1.578994  
1 1 1 -16 16 45 o 29.26891 0.8044097 8.407922       0.4650324 9.776824       0.7314948 7.479427       0.6024420 3.909428       1.608819  
1 1 1 -16 16 46 o 29.41058 0.8151857 8.639901       0.4759876 8.955820       0.7235330 8.398853       0.6320081 0.9353046      1.630371  
1 1 1 -16 16 47 o 28.58030 0.8335598 8.185500       0.4728205 8.280517       0.7161324 8.112072       0.6295432 0.2822399      1.667120  
1 1 1 -16 16 48 o 52.19434 0.8130263 27.34357       0.8480391 26.04275       1.197369  28.65285       1.201257  -2.499805      1.626053  
1 1 1 -16 16 49 o 46.00743 0.9286693 21.36909       0.8355482 21.79975       1.080402  20.72822       1.317988  1.204399       1.857339  
1 1 1 -16 16 50 o 62.54420 1.211033  39.45007       1.513797  37.65744       2.136205  41.25830       2.145490  -2.876434      2.422065  
1 1 1 -16 16 51 o 30.95411 1.153858  9.657572       0.7035423 9.646916       1.093454  9.665099       0.9190393 -0.7073593E-01 2.307715  
1 1 1 -16 16 52 o 19.19117 1.620563  3.855340       0.5946963 3.309065       0.9538476 4.202718       0.7606307 -2.396166      3.241125  
1 1 1 -16 16 53 o 14.54707 2.121596  2.277189       0.5751380 2.031495       0.9868181 2.403579       0.7077742 -1.652456      4.243191  
1 1 1 -16 16 54 o 9.139371 2.306837  0.7402989      0.5591485 0.1602889      0.9133129 1.088028       0.7071676 -2.182831      4.613675  
1 1 1 -16 16 55 o 39.68752 1.209428  15.95006       0.9446419 15.67971       1.466160  16.14194       1.235188  -0.6502533     2.418857  
1 1 1 -16 16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 17 1  o 86.11354 1.428801  74.24362       2.459432  72.88616       3.411023  75.71347       3.549429  -1.635254      2.857601  
1 1 1 -16 17 2  o 92.77298 1.517182  86.23125       2.814822  87.25987       4.013437  85.23546       3.948868  1.087975       3.034364  
1 1 1 -16 17 3  o 39.61209 1.007942  15.51417       0.7936125 13.87270       1.055274  17.65115       1.204061  -4.764679      2.015883  
1 1 1 -16 17 4  o 32.81816 0.5493358 10.73099       0.3598431 10.06947       0.4907141 11.50052       0.5292591 -2.179634      1.098672  
1 1 1 -16 17 5  o 78.50270 0.9054021 61.66259       1.421438  62.29799       2.024297  61.04457       1.996428  0.7975693      1.810804  
1 1 1 -16 17 6  f 90.90596 1.279693  82.63419       2.164866  82.42895       2.617754  83.07827       3.850630  -0.3108292     2.559386  
1 1 1 -16 17 7  o 102.8384 1.643382  105.9494       3.378977  107.8611       4.853855  104.1519       4.706731  1.796188       3.286764  
1 1 1 -16 17 8  o 18.43278 1.433468  3.418306       0.4982614 5.094270       0.7434977 2.051970       0.6713143 8.249487       2.866937  
1 1 1 -16 17 9  o 114.1630 1.550731  129.3186       3.274371  133.9589       5.932584  127.2858       3.926620  2.830040       3.101462  
1 1 1 -16 17 10 o 86.88350 1.234474  75.03543       1.985010  77.03935       3.585017  74.14944       2.383770  1.618370       2.468948  
1 1 1 -16 17 11 f 59.68230 0.7513517 35.52087       0.8949500 33.92478       1.218186  37.39247       1.319134  -2.902760      1.502703  
1 1 1 -16 17 12 o 75.32018 0.8831081 56.76982       1.330296  56.54841       1.874838  56.99434       1.887874  -0.2956543     1.766216  
1 1 1 -16 17 13 o 34.24815 0.6179148 11.06340       0.4109608 15.14839       0.6838475 8.754153       0.5141613 9.331741       1.235830  
1 1 1 -16 17 14 o 15.00708 0.7763963 2.280112       0.2298040 2.055022       0.3443339 2.460886       0.3085816 -1.353151      1.552793  
1 1 1 -16 17 15 o 75.86397 0.8937482 57.29423       1.350844  54.34975       1.816334  60.93873       2.020737  -4.336494      1.787496  
1 1 1 -16 17 16 o 79.05680 0.9194866 62.52658       1.453422  63.51882       2.085762  61.58999       2.026419  1.218048       1.838973  
1 1 1 -16 17 17 f 62.06322 0.7788168 38.34815       0.9635235 40.87136       1.435635  36.28004       1.299734  3.695202       1.557634  
1 1 1 -16 17 18 o 48.90188 0.6861905 23.92136       0.6710566 23.60914       0.9411998 24.24419       0.9570332 -0.6489067     1.372381  
1 1 1 -16 17 19 o 48.64414 0.6864007 23.67408       0.6676109 23.71256       0.9555593 23.63737       0.9331290 0.7667923E-01  1.372801  
1 1 1 -16 17 20 o 113.2519 1.243657  128.4740       2.816573  127.0577       3.945053  129.9464       4.022548  -1.271225      2.487314  
1 1 1 -16 17 21 o 132.8924 1.768558  174.3962       4.340649  184.8362       7.925647  169.9231       5.187860  5.399384       3.537117  
1 1 1 -16 17 22 o 68.35594 1.139042  46.52785       1.550208  49.60841       2.329540  44.07944       2.076813  4.031212       2.278084  
1 1 1 -16 17 23 o 94.33484 1.480052  89.24689       2.792396  88.87438       3.946575  89.62032       3.951518  -0.3950195     2.960104  
1 1 1 -16 17 24 f 85.75775 1.196090  73.42975       1.948584  72.86896       2.400904  74.51205       3.335428  -0.9044876     2.392181  
1 1 1 -16 17 25 f 123.1122 1.883831  152.1167       4.633201  147.9198       6.371961  156.8248       6.748950  -3.580528      3.767662  
1 1 1 -16 17 26 o 101.3179 1.133541  102.6385       2.293177  106.3992       3.361203  99.36369       3.136527  3.458496       2.267081  
1 1 1 -16 17 27 o 10.58669 1.225657  1.117749       0.2519348 1.319907       0.3895890 0.9724489      0.3302887 1.778588       2.451314  
1 1 1 -16 17 28 o 75.52415 0.9034677 56.48152       1.353766  62.00776       2.080122  52.42099       1.783055  6.331604       1.806935  
1 1 1 -16 17 29 o 101.7175 1.140240  103.6699       2.319235  102.3183       3.242753  105.0852       3.318339  -1.354843      2.280481  
1 1 1 -16 17 30 o 54.54390 0.7469622 29.57353       0.8107672 31.81268       1.223156  27.81871       1.082822  3.654137       1.493924  
1 1 1 -16 17 31 f 61.37340 0.7973175 37.47434       0.9742091 40.15685       1.465244  35.34894       1.304247  3.907906       1.594635  
1 1 1 -16 17 32 o 57.83548 0.7725805 33.46268       0.8932881 32.35090       1.243480  34.64828       1.284099  -1.983894      1.545161  
1 1 1 -16 17 33 o 76.44556 0.9189606 58.12853       1.397416  62.47473       2.113296  54.75158       1.862808  5.033249       1.837921  
1 1 1 -16 17 34 o 13.07726 1.145186  1.799330       0.2848782 1.349889       0.4397615 2.124316       0.3739495 -2.967046      2.290371  
1 1 1 -16 17 35 o 55.51514 0.7642698 30.82579       0.8474358 31.58452       1.236500  30.15375       1.163719  1.283642       1.528540  
1 1 1 -16 17 36 o 21.82018 0.8139083 4.791842       0.3521550 4.586677       0.5274127 4.956893       0.4730545 -0.8526859     1.627817  
1 1 1 -16 17 37 o 38.16070 0.7101839 14.54103       0.5404866 15.12995       0.8008090 14.04832       0.7324800 1.412128       1.420368  
1 1 1 -16 17 38 o 92.01321 1.064469  84.94784       1.958590  85.50726       2.798748  84.41093       2.741858  0.5891876      2.128939  
1 1 1 -16 17 39 o 38.07283 0.7208147 14.51801       0.5471504 14.54648       0.8066863 14.49376       0.7446112 0.6406021E-01  1.441629  
1 1 1 -16 17 40 o 33.17250 0.7497811 11.09138       0.4941248 9.766784       0.7063536 12.36079       0.6914798 -3.911243      1.499562  
1 1 1 -16 17 41 f 49.79134 0.7602366 24.73044       0.7539884 26.06774       1.128605  23.65245       1.013293  2.413822       1.520473  
1 1 1 -16 17 42 o 57.73875 0.8080592 33.33458       0.9318804 31.29454       1.282240  35.61831       1.356663  -3.736057      1.616118  
1 1 1 -16 17 43 o 42.22926 0.7453991 17.84748       0.6273329 18.16990       0.9306524 17.57896       0.8492854 0.6910095      1.490798  
1 1 1 -16 17 44 o 27.88298 0.8203531 7.791306       0.4542111 7.838244       0.6854201 7.754553       0.6064991 0.1405830      1.640706  
1 1 1 -16 17 45 o 58.28405 0.8268445 34.07574       0.9634262 34.04874       1.382512  34.10122       1.343314  -0.5017471E-01 1.653689  
1 1 1 -16 17 46 o 33.42574 0.7891933 11.15768       0.5250036 11.68587       0.7892892 10.73855       0.7030976 1.405182       1.578387  
1 1 1 -16 17 47 o 53.40735 0.8145078 28.44101       0.8672052 25.76330       1.176874  31.62237       1.282786  -5.470047      1.629016  
1 1 1 -16 17 48 f 11.02040 1.860523  1.291759       0.4173131 1.792890       0.5914566 0.7949666      0.5888914 4.166580       3.721046  
1 1 1 -16 17 49 o 68.37604 1.262304  47.03925       1.723716  43.97859       2.370491  50.47345       2.510975  -4.714241      2.524607  
1 1 1 -16 17 50 f 17.73767 1.560548  3.004905       0.5351709 4.382177       0.8770940 2.188022       0.6754858 6.119905       3.121096  
1 1 1 -16 17 51 o 26.09460 1.298557  6.879641       0.6625205 6.889442       1.054155  6.873240       0.8517639 -0.2694702E-01 2.597113  
1 1 1 -16 17 52 o 37.79281 1.143854  14.44257       0.8567641 14.09436       1.293165  14.71501       1.143827  -0.8598557     2.287708  
1 1 1 -16 17 53 o 21.03753 1.516037  4.385969       0.6229438 5.005082       1.019365  4.016944       0.7869961 2.261349       3.032073  
1 1 1 -16 17 54 o 23.75043 1.504289  5.858034       0.6861275 5.217274       1.103440  6.261953       0.8760898 -2.281162      3.008578  
1 1 1 -16 17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 18 1  f 41.02344 1.026943  16.83948       0.8416758 16.67207       1.161183  17.02480       1.221743  -0.4275818     2.053887  
1 1 1 -16 18 2  o 56.81593 1.112808  32.04364       1.257533  29.80312       1.674453  34.94215       1.904519  -4.513248      2.225616  
1 1 1 -16 18 3  f 26.82207 1.106113  7.226313       0.5900283 8.141045       0.8369128 6.322373       0.8319615 3.390060       2.212225  
1 1 1 -16 18 4  o 69.08211 0.8210309 47.68700       1.133284  49.26606       1.647294  46.26805       1.561552  2.167427       1.642062  
1 1 1 -16 18 5  o 60.67494 0.7569038 36.64816       0.9149033 34.85221       1.229908  38.87320       1.368972  -3.309887      1.513808  
1 1 1 -16 18 6  o 50.05949 0.6704123 25.07012       0.6712033 24.92205       0.9471171 25.21951       0.9513465 -0.2970047     1.340825  
1 1 1 -16 18 7  o 122.5171 1.329487  150.3097       3.256850  152.6654       4.671076  148.0810       4.543344  1.865028       2.658973  
1 1 1 -16 18 8  o 33.07041 0.5814399 10.86163       0.3831176 11.90350       0.5726539 10.01745       0.5154672 2.850426       1.162880  
1 1 1 -16 18 9  o 213.6205 2.252227  458.4210       9.618900  451.5781       13.38725  465.7238       13.82990  -3.276154      4.504455  
1 1 1 -16 18 10 o 98.09535 1.094066  96.33605       2.146342  95.80659       3.016827  96.87876       3.054290  -0.5450516     2.188132  
1 1 1 -16 18 11 o 69.04919 1.058231  46.92131       1.325672  45.84855       1.564352  49.65443       2.496962  -2.721130      2.116462  
1 1 1 -16 18 12 o 20.92834 1.193331  4.399544       0.4965208 4.986333       0.7058855 3.824895       0.6985451 2.774479       2.386662  
1 1 1 -16 18 13 o 62.40095 1.169729  38.72207       1.454223  42.23554       2.175971  35.88622       1.954908  5.077663       2.339457  
1 1 1 -16 18 14 o 60.26317 1.151709  36.04486       1.381178  39.73295       2.084253  33.15723       1.844253  5.444828       2.303418  
1 1 1 -16 18 15 o 53.10249 0.9160633 28.40438       0.8969812 27.76544       1.610995  28.69145       1.079848  -0.8917465     1.832127  
1 1 1 -16 18 16 f 36.19003 0.8594984 13.60021       0.5559590 11.99516       1.023590  14.27185       0.6621413 -3.158360      1.718997  
1 1 1 -16 18 17 o 71.63827 1.034206  50.87701       1.393590  52.88802       2.448063  49.91289       1.695044  2.042297       2.068411  
1 1 1 -16 18 18 o 39.01336 0.8186472 15.21166       0.6379563 14.17120       0.8855955 16.33403       0.9197887 -2.770645      1.637294  
1 1 1 -16 18 19 o 127.8400 1.943227  164.2081       4.967947  162.6310       6.966120  165.8404       7.086915  -1.244476      3.886453  
1 1 1 -16 18 20 o 113.7814 1.745612  129.5801       3.961785  135.3402       5.864506  124.7446       5.373287  4.615707       3.491223  
1 1 1 -16 18 21 o 69.94170 1.009881  49.23304       1.361356  49.92881       1.716762  48.05436       2.234481  1.365250       2.019762  
1 1 1 -16 18 22 o 117.2545 1.797585  138.0646       4.213778  140.1323       6.062799  136.1325       5.860703  1.687164       3.595170  
1 1 1 -16 18 23 o 60.53171 0.7775757 36.14486       0.9323357 40.46912       1.445696  33.06582       1.219914  6.105946       1.555151  
1 1 1 -16 18 24 o 39.35605 0.6610552 15.49464       0.5199514 14.69024       0.7284529 16.33012       0.7423898 -2.082897      1.322110  
1 1 1 -16 18 25 o 63.99770 0.8081878 40.99697       1.034366  41.16207       1.473058  40.83639       1.452783  0.2535400      1.616376  
1 1 1 -16 18 26 o 8.156022 1.467131  0.6811376      0.2389409 0.8028678      0.3650846 0.5899242      0.3160266 1.225220       2.934261  
1 1 1 -16 18 27 o 54.74231 0.7435673 29.50377       0.8064966 26.47772       1.056185  33.73574       1.249034  -6.620159      1.487135  
1 1 1 -16 18 28 o 80.60744 0.9478631 65.01781       1.526696  66.68719       2.216727  63.51147       2.105699  1.962601       1.895726  
1 1 1 -16 18 29 f 50.01497 0.7210273 24.92085       0.7195122 23.11343       0.9788485 27.04527       1.061224  -3.926491      1.442055  
1 1 1 -16 18 30 o 29.66978 0.6809241 8.815395       0.4032121 8.744887       0.5883446 8.877843       0.5536881 -0.2257481     1.361848  
1 1 1 -16 18 31 o 39.38496 0.6883794 15.53163       0.5417359 15.44350       0.7819324 15.61298       0.7512490 -0.2168274     1.376759  
1 1 1 -16 18 32 o 66.15111 0.8388049 43.45024       1.102908  47.19583       1.676745  40.59384       1.464254  4.975163       1.677610  
1 1 1 -16 18 33 o 83.10010 0.9788333 69.20210       1.626362  70.01633       2.333028  68.43237       2.268381  0.9474335      1.957667  
1 1 1 -16 18 34 o 66.76720 0.8454563 44.44842       1.124946  47.15622       1.679100  42.24314       1.515306  3.665863       1.690913  
1 1 1 -16 18 35 o 65.28497 0.8369852 42.69511       1.092673  41.77919       1.529872  43.64886       1.561148  -1.429222      1.673970  
1 1 1 -16 18 36 o 78.07359 0.9424908 61.00394       1.470036  58.76908       2.021426  63.51258       2.141671  -3.025780      1.884982  
1 1 1 -16 18 37 o 50.71318 0.7550866 25.76670       0.7653648 25.72165       1.101808  25.80871       1.063963  -0.8906555E-01 1.510173  
1 1 1 -16 18 38 o 30.82995 0.8044946 9.516829       0.4957784 9.260235       0.6873409 9.795108       0.7157976 -0.8647041     1.608989  
1 1 1 -16 18 39 o 47.01627 0.7465263 21.79848       0.6947007 24.58725       1.081633  19.84031       0.9063537 5.031368       1.493053  
1 1 1 -16 18 40 o 50.79291 0.7663229 25.78465       0.7763990 26.80219       1.148714  24.92887       1.053449  1.834232       1.532646  
1 1 1 -16 18 41 o 14.17573 1.334622  2.262390       0.3303331 1.372469       0.5195454 2.866269       0.4279791 -5.455818      2.669244  
1 1 1 -16 18 42 f 22.26695 0.9030561 5.020780       0.3944365 4.721296       0.6109743 5.234797       0.5164894 -1.165377      1.806112  
1 1 1 -16 18 43 o 30.72619 0.7961838 9.340657       0.4842806 10.32596       0.7525232 8.644136       0.6327070 2.722519       1.592368  
1 1 1 -16 18 44 o 59.59622 0.8373348 35.59937       0.9962842 36.18799       1.457835  35.08356       1.364690  0.9136925      1.674670  
1 1 1 -16 18 45 o 8.559102 1.880460  0.7365153      0.3493947 0.7648684      0.5596196 0.7184029      0.4472824 0.4004002      3.760920  
1 1 1 -16 18 46 o 38.03522 0.8485992 14.52168       0.6444174 14.56548       0.8864242 14.47257       0.9384905 0.1299591      1.697198  
1 1 1 -16 18 47 f 22.92271 1.155017  5.218992       0.5234368 6.479659       0.7879360 4.223177       0.7002934 4.903086       2.310034  
1 1 1 -16 18 48 o 51.85158 1.124068  27.12446       1.162866  26.26993       1.688095  27.89616       1.604193  -1.586918      2.248136  
1 1 1 -16 18 49 o 20.08682 1.459244  4.204101       0.5658837 3.539233       0.8808829 4.671277       0.7383994 -2.861332      2.918487  
1 1 1 -16 18 50 o 20.89973 1.485874  4.685037       0.5847420 3.355561       0.9038385 5.642043       0.7668454 -5.512863      2.971748  
1 1 1 -16 18 51 o 25.95329 1.318710  6.729434       0.6652449 7.156109       1.090447  6.476493       0.8395842 1.233696       2.637421  
1 1 1 -16 18 52 o 25.22740 1.358446  6.625757       0.6656398 5.387888       1.004000  7.596604       0.8891438 -4.415606      2.716893  
1 1 1 -16 18 53 o 17.90230 1.950977  3.467631       0.6423342 2.856380       1.036099  3.849225       0.8186378 -3.138538      3.901955  
1 1 1 -16 19 1  o 69.16898 1.252827  47.87894       1.731255  46.70654       2.382861  49.18972       2.519583  -1.787224      2.505654  
1 1 1 -16 19 2  o 36.81985 1.046488  13.58313       0.7697264 13.73637       1.066505  13.41652       1.112037  0.4365005      2.092976  
1 1 1 -16 19 3  o 69.30412 0.8313770 47.67580       1.146172  51.85630       1.734116  44.43276       1.527361  5.348038       1.662754  
1 1 1 -16 19 4  o 86.22168 0.9813799 74.42973       1.692285  74.80364       2.403220  74.06197       2.383409  0.4292221      1.962760  
1 1 1 -16 19 5  o 103.6293 1.146906  107.5045       2.376023  109.6380       3.422102  105.5186       3.301546  1.981430       2.293812  
1 1 1 -16 19 6  o 54.97833 0.7159859 30.15679       0.7857447 28.88734       1.071224  31.63521       1.156037  -2.496353      1.431972  
1 1 1 -16 19 7  f 89.26299 1.012441  79.76191       1.807033  78.94222       2.523024  80.62524       2.589328  -0.9397507     2.024881  
1 1 1 -16 19 8  o 101.2317 1.124775  102.3514       2.272318  106.8755       3.349448  98.49376       3.092944  4.127022       2.249551  
1 1 1 -16 19 9  o 106.9847 1.181225  114.5825       2.526085  112.4736       3.503666  116.8654       3.645395  -2.045074      2.362450  
1 1 1 -16 19 10 o 17.66026 0.6550496 3.032279       0.2264466 4.088815       0.3515255 2.282860       0.2960582 5.111440       1.310099  
1 1 1 -16 19 11 o 54.46535 1.118178  29.69035       1.217594  30.62535       1.749721  28.81248       1.695439  1.661503       2.236355  
1 1 1 -16 19 12 o 90.36646 1.024355  81.66964       1.849672  79.51950       2.550889  84.05358       2.686001  -2.502449      2.048709  
1 1 1 -16 19 13 o 51.56783 0.7092164 26.58014       0.7310123 27.47976       1.056428  25.75365       1.012581  1.672211       1.418433  
1 1 1 -16 19 14 o 75.80077 1.073300  57.52115       1.550218  57.62003       2.628281  57.46840       1.919696  0.6523895E-01  2.146600  
1 1 1 -16 19 15 o 19.66650 0.8051954 3.743664       0.3113224 4.816419       0.4923166 3.028845       0.4018759 4.541296       1.610391  
1 1 1 -16 19 16 o 98.83139 1.534485  97.28133       3.016504  91.63960       4.019846  104.5528       4.563679  -6.492821      3.068971  
1 1 1 -16 19 17 o 71.89116 1.674184  51.78453       2.407181  51.78453       2.407181  ?              ?         ?              ?         
1 1 1 -16 19 18 o 80.03427 2.569508  64.35902       4.112974  64.35902       4.112974  ?              ?         ?              ?         
1 1 1 -16 19 19 o 98.52714 1.605369  97.43413       3.163238  98.57033       4.504954  96.32912       4.442684  1.132126       3.210738  
1 1 1 -16 19 20 o 87.22632 1.456773  76.16949       2.537972  79.33981       3.708483  73.37652       3.480797  3.400520       2.913547  
1 1 1 -16 19 21 o 115.4661 1.826380  133.8543       4.213559  130.7048       5.806842  137.3568       6.123505  -2.848953      3.652761  
1 1 1 -16 19 22 o 27.72107 1.121213  7.616313       0.6136318 6.056456       0.8257760 9.539780       0.9169859 -6.277147      2.242426  
1 1 1 -16 19 23 o 65.25139 1.032023  42.86386       1.256905  42.05968       2.209464  43.24862       1.528292  -0.9512939     2.064045  
1 1 1 -16 19 24 o 63.38733 1.008050  41.24717       1.222348  36.57115       1.984393  44.10622       1.551674  -5.970325      2.016100  
1 1 1 -16 19 25 o 78.16630 0.9275271 61.20021       1.450022  60.98742       2.049383  61.41353       2.051903  -0.2724152     1.855054  
1 1 1 -16 19 26 o 40.43144 0.6716919 15.97508       0.5360414 18.88854       0.8454095 14.01627       0.6932023 6.018150       1.343384  
1 1 1 -16 19 27 o 69.25941 0.8541787 48.03491       1.183062  48.23823       1.687479  47.83837       1.659087  0.2869644      1.708357  
1 1 1 -16 19 28 f 30.44446 0.6860310 9.290303       0.4154367 8.074577       0.5807495 10.56439       0.5945252 -4.088409      1.372062  
1 1 1 -16 19 29 o 53.39669 0.7466549 28.45831       0.7961143 26.80107       1.090356  30.35059       1.165109  -3.319233      1.493310  
1 1 1 -16 19 30 f 122.9452 1.350066  151.5497       3.315208  147.0388       4.548193  156.6632       4.842454  -3.880577      2.700131  
1 1 1 -16 19 31 o 56.62523 0.7678750 31.83977       0.8646718 34.61956       1.310862  29.69871       1.150444  4.334103       1.535750  
1 1 1 -16 19 32 o 71.30583 0.8793793 50.94963       1.254053  50.52676       1.764571  51.38117       1.782564  -0.5975876     1.758759  
1 1 1 -16 19 33 o 49.15013 0.7304163 23.98537       0.7142251 26.24496       1.079953  22.22874       0.9522002 4.075989       1.460833  
1 1 1 -16 19 34 o 61.06586 0.8106673 37.36446       0.9899674 37.31945       1.410339  37.40817       1.389935  -0.7439804E-01 1.621335  
1 1 1 -16 19 35 o 20.63040 0.8536360 4.237609       0.3481540 4.446764       0.5401015 4.088916       0.4553932 0.8592052      1.707272  
1 1 1 -16 19 36 o 37.19066 0.7160602 13.87969       0.5311201 12.66967       0.7505095 15.09363       0.7517267 -3.258732      1.432120  
1 1 1 -16 19 37 o 50.42331 1.114045  25.30535       1.116792  27.64279       1.696071  23.51619       1.483879  4.062153       2.228091  
1 1 1 -16 19 38 o 33.51862 0.7321936 11.09938       0.4863449 12.42246       0.7525225 10.15035       0.6373320 3.378069       1.464387  
1 1 1 -16 19 39 o 17.84140 1.027488  3.292483       0.3556418 2.562273       0.5279614 3.899054       0.4811927 -3.752668      2.054975  
1 1 1 -16 19 40 o 21.74623 0.8921603 4.528015       0.3790584 5.963686       0.6184304 3.664071       0.4797404 5.269703       1.784321  
1 1 1 -16 19 41 o 7.562975 1.753239  0.5536660      0.3265176 0.1617063      0.5314939 0.7912723      0.4138153 -2.267575      3.506478  
1 1 1 -16 19 42 o 48.45450 0.7732674 23.48720       0.7473261 24.22834       1.105008  22.86246       1.014536  1.398518       1.546535  
1 1 1 -16 19 43 o 15.36619 1.205258  2.440449       0.3590617 2.065168       0.5542001 2.711941       0.4713752 -2.121348      2.410516  
1 1 1 -16 19 44 o 39.82642 0.7790490 15.80030       0.6163957 16.81796       0.9378305 15.02634       0.8178624 2.232800       1.558098  
1 1 1 -16 19 45 o 27.11031 0.9456653 7.369359       0.5105145 6.461117       0.7057710 8.366089       0.7393522 -3.507692      1.891331  
1 1 1 -16 19 46 o 32.73922 1.006933  10.66150       0.6550808 9.182549       0.8799412 12.50022       0.9811484 -5.047234      2.013866  
1 1 1 -16 19 47 o 24.38623 1.222512  5.892950       0.5859349 6.545591       0.9366502 5.473350       0.7510324 2.153004       2.445023  
1 1 1 -16 19 48 o 26.70753 1.228825  6.890903       0.6386828 8.586504       1.064492  5.937188       0.7983448 4.887300       2.457651  
1 1 1 -16 19 49 o 23.97352 1.288038  5.581822       0.5976282 6.697518       1.010053  4.980838       0.7413154 3.503841       2.576075  
1 1 1 -16 19 50 o 20.92648 1.502906  4.643063       0.5964128 3.675904       0.9463463 5.280311       0.7681664 -3.893414      3.005813  
1 1 1 -16 19 51 o 42.15794 1.134226  18.01483       0.9495507 17.17923       1.410154  18.70801       1.284376  -1.848988      2.268453  
1 1 1 -16 19 52 f 21.85777 2.373041  4.736740       1.002344  5.865116       1.705526  4.141362       1.238875  3.671621       4.746082  
1 1 1 -16 20 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 20 2  o 58.89895 0.9664965 34.69530       1.137468  35.69132       1.652026  33.79749       1.568470  1.603546       1.932993  
1 1 1 -16 20 3  o 82.41683 1.285151  67.89510       2.113854  65.32266       2.878141  70.90784       3.114738  -3.372925      2.570302  
1 1 1 -16 20 4  o 99.32274 1.523597  97.67908       2.994837  90.60841       3.909916  107.7160       4.658403  -8.554649      3.047194  
1 1 1 -16 20 5  f 30.49353 0.6674696 9.090563       0.4020857 10.78370       0.6311917 7.934249       0.5216187 4.668558       1.334939  
1 1 1 -16 20 6  o 47.91351 0.8461545 22.72285       0.8054838 20.81818       1.066750  25.24918       1.228564  -4.617123      1.692309  
1 1 1 -16 20 7  o 52.35545 0.9046245 26.91005       0.9347277 30.70682       1.474987  24.36195       1.208341  6.047382       1.809249  
1 1 1 -16 20 8  o 109.9264 1.678014  121.2102       3.686608  118.5642       5.100398  124.1051       5.334798  -2.500633      3.356029  
1 1 1 -16 20 9  o 51.75196 0.9039865 26.80691       0.9353772 27.07563       1.342102  26.55309       1.304352  0.5031395      1.807973  
1 1 1 -16 20 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 20 11 o 45.39915 0.8452936 20.42548       0.7621554 22.34759       1.164522  18.98524       1.008035  3.696339       1.690587  
1 1 1 -16 20 12 o 65.11614 1.078530  42.19566       1.397566  45.15875       2.107631  39.87035       1.867075  4.047321       2.157060  
1 1 1 -16 20 13 o 36.15673 0.7766135 12.94787       0.5580614 14.31385       0.8495216 11.91092       0.7401671 3.318485       1.553227  
1 1 1 -16 20 14 o 42.02493 0.7467883 17.17571       0.6022164 16.01719       0.7417428 19.41632       1.031536  -4.032707      1.493577  
1 1 1 -16 20 15 o 46.56356 0.6792973 21.64590       0.6318144 20.66619       0.8675064 22.75261       0.9220247 -2.238415      1.358595  
1 1 1 -16 20 16 o 56.97901 0.7497683 31.92862       0.8450301 36.33092       1.319993  28.87157       1.099975  6.536728       1.499537  
1 1 1 -16 20 17 o 28.18704 0.6392797 7.959337       0.3599308 7.553982       0.5116612 8.356425       0.5064174 -1.423613      1.278559  
1 1 1 -16 20 18 o 63.93006 0.8088722 40.37114       1.025002  37.08492       1.344639  44.92949       1.583656  -6.124393      1.617744  
1 1 1 -16 20 19 o 15.72278 0.8272071 2.447084       0.2586555 2.781557       0.3906708 2.186038       0.3451351 1.891619       1.654414  
1 1 1 -16 20 20 o 21.19194 0.7086850 4.454453       0.2987550 4.887538       0.4520763 4.118670       0.3980654 1.811718       1.417370  
1 1 1 -16 20 21 o 56.73774 0.7543012 32.19140       0.8554195 31.27523       1.184567  33.18985       1.236602  -1.684704      1.508602  
1 1 1 -16 20 22 o 29.22439 0.6541728 8.531010       0.3813443 8.767874       0.5632216 8.330503       0.5181924 0.7462654      1.308346  
1 1 1 -16 20 23 o 23.60698 0.7005382 5.381863       0.3240294 7.191575       0.5116028 4.169614       0.4187205 6.396021       1.401076  
1 1 1 -16 20 24 o 10.69801 1.295086  1.370045       0.2512487 0.4458057      0.3771865 2.107229       0.3368618 -7.617188      2.590172  
1 1 1 -16 20 25 o 98.95619 1.118443  97.28355       2.197995  105.4995       3.357018  91.11852       2.907983  7.229599       2.236887  
1 1 1 -16 20 26 o 32.93078 0.7473534 10.81023       0.4862431 10.56308       0.6364341 11.15680       0.7536290 -0.8945656     1.494707  
1 1 1 -16 20 27 f 69.68847 1.073513  49.90528       1.447325  54.51641       1.880237  43.20005       2.267336  8.153046       2.147026  
1 1 1 -16 20 28 f 65.36589 1.046420  42.82325       1.274127  42.79156       1.542759  42.89123       2.259678  -0.1250458E-01 2.092839  
1 1 1 -16 20 29 o 56.15762 1.140897  31.63802       1.281210  31.33786       1.793477  31.95083       1.830913  -0.5418282     2.281793  
1 1 1 -16 20 30 o 47.94283 1.091781  22.90667       1.043224  25.09258       1.555002  21.11760       1.406789  4.129440       2.183563  
1 1 1 -16 20 31 o 74.40733 1.324130  55.52134       1.967353  53.47551       2.691228  57.86945       2.883197  -2.926132      2.648260  
1 1 1 -16 20 32 o 60.25277 1.193490  36.22854       1.432977  39.20460       2.141270  33.81461       1.928465  4.445770       2.386979  
1 1 1 -16 20 33 f 121.0668 1.922401  148.2856       4.654696  149.0500       6.606995  147.5323       6.558739  0.6163712      3.844801  
1 1 1 -16 20 34 o 24.93795 1.253060  6.205040       0.6226333 6.905990       0.9274973 5.630028       0.8400552 2.545294       2.506119  
1 1 1 -16 20 35 o 6.923803 2.049051  0.9302433E-01  0.4708582 0.9016760E-01  0.7281262 0.9507763E-01  0.6173012 0.5088124      4.098102  
1 1 1 -16 20 36 o 33.31585 1.163211  11.11844       0.7732111 11.67661       1.142500  10.64674       1.050282  1.531414       2.326421  
1 1 1 -16 20 37 o 75.92172 1.362982  58.05230       2.069548  57.98136       2.915806  58.12431       2.937886  -0.9004974E-01 2.725964  
1 1 1 -16 20 38 o 30.45478 1.188728  9.329503       0.7218314 9.295409       1.062117  9.358767       0.9840003 -0.1170654     2.377455  
1 1 1 -16 20 39 o 38.39130 1.138600  14.81621       0.8736247 14.86221       1.260357  14.77366       1.212043  0.1072884      2.277201  
1 1 1 -16 20 40 o 23.97779 1.316176  5.796834       0.6288744 5.731643       0.9269850 5.852419       0.8559783 -0.2659492     2.632351  
1 1 1 -16 20 41 o 39.16432 1.151459  15.41020       0.9010234 15.95746       1.310495  14.91957       1.240836  1.311699       2.302919  
1 1 1 -16 20 42 o 9.960201 2.152297  0.7030401      0.5411682 1.903382       0.8522472 -0.1079546     0.7005226 6.805955       4.304594  
1 1 1 -16 20 43 o 51.80227 1.193549  27.01966       1.236211  26.11687       1.735002  27.95058       1.761839  -1.764244      2.387099  
1 1 1 -16 20 44 o 31.26107 1.880982  9.865463       1.018545  9.777720       1.174889  10.13091       2.043500  -0.2726517     3.761964  
1 1 1 -16 20 45 o 12.57980 4.516922  1.465961       1.450119  1.465961       1.450119  ?              ?         ?              ?         
1 1 1 -16 20 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 20 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 20 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 20 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 20 50 o 37.21915 2.553387  14.17368       1.900698  14.17368       1.900698  ?              ?         ?              ?         
1 1 1 -16 20 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 21 1  o 64.14169 0.7885527 40.74232       1.004019  37.78669       1.325055  44.72704       1.538535  -5.400372      1.577105  
1 1 1 -16 21 2  o 32.14371 0.5682011 10.28116       0.3642831 9.484270       0.4943988 11.22764       0.5388097 -2.710394      1.136402  
1 1 1 -16 21 3  o 88.21856 1.005091  77.92727       1.772911  76.95206       2.474283  78.95628       2.541621  -1.132111      2.010183  
1 1 1 -16 21 4  o 86.17433 0.9883747 74.11839       1.698826  71.10023       2.302514  77.72435       2.516762  -3.831551      1.976749  
1 1 1 -16 21 5  o 101.3316 1.128160  102.8125       2.285113  105.0499       3.298325  100.7473       3.168838  2.114876       2.256320  
1 1 1 -16 21 6  o 29.27653 0.5812097 8.539023       0.3394213 7.746042       0.4644988 9.447575       0.4971960 -2.904909      1.162419  
1 1 1 -16 21 7  o 22.33523 0.6271843 5.035800       0.2766854 4.669006       0.4166451 5.325167       0.3700674 -1.470507      1.254369  
1 1 1 -16 21 8  o 99.36031 1.531504  98.33907       3.025477  92.60753       4.023890  105.7932       4.588912  -6.587021      3.063009  
1 1 1 -16 21 9  o 90.75255 2.820757  0.000000       0.000000  ?              ?         82.87907       5.119818  ?              ?         
1 1 1 -16 21 10 o 88.92780 1.389758  78.55770       2.453756  73.36597       3.242223  85.51794       3.754036  -6.792381      2.779515  
1 1 1 -16 21 11 o 35.57643 0.6463600 12.64419       0.4587064 12.38801       0.6238300 12.94574       0.6768234 -0.7818947     1.292720  
1 1 1 -16 21 12 o 41.53297 0.6521004 16.89828       0.5356675 19.92415       0.8359739 14.79044       0.6977269 6.175076       1.304201  
1 1 1 -16 21 13 o 70.22951 0.8524373 49.35235       1.196817  50.34025       1.723310  48.43195       1.663390  1.355606       1.704875  
1 1 1 -16 21 14 o 36.60357 0.6423600 13.18144       0.4660920 11.22638       0.6168752 15.78241       0.7115162 -6.219803      1.284720  
1 1 1 -16 21 15 o 51.93597 0.7248524 26.12334       0.7386609 22.67389       0.9397199 31.70068       1.194914  -8.678730      1.449705  
1 1 1 -16 21 16 o 53.63072 0.7299663 28.72326       0.7819106 27.51993       1.072169  30.09032       1.142783  -2.393024      1.459933  
1 1 1 -16 21 17 o 31.62115 0.6422312 9.935708       0.4042697 8.715120       0.5484594 11.38785       0.5982239 -4.224001      1.284462  
1 1 1 -16 21 18 o 18.64147 0.7434340 3.451848       0.2759599 3.774054       0.4146464 3.195658       0.3697359 1.549032       1.486868  
1 1 1 -16 21 19 o 64.77949 0.8162704 41.64544       1.051688  38.62401       1.400067  45.55796       1.593204  -5.340881      1.632541  
1 1 1 -16 21 20 f 34.90990 0.6474746 12.18422       0.4516064 12.46906       0.6564028 11.92822       0.6222969 0.7730751      1.294949  
1 1 1 -16 21 21 o 44.15448 0.6827720 19.35792       0.6005204 17.58310       0.8081095 21.54672       0.8974232 -4.483994      1.365544  
1 1 1 -16 21 22 o 46.21032 0.6999466 21.22733       0.6445965 19.50597       0.8690624 23.33240       0.9610586 -4.135342      1.399893  
1 1 1 -16 21 23 o 28.12873 0.6718413 7.940358       0.3768825 7.580016       0.5460560 8.268167       0.5208235 -1.224575      1.343683  
1 1 1 -16 21 24 o 16.48222 0.8634994 2.710259       0.2829103 2.818437       0.4276914 2.626101       0.3772335 0.5798340      1.726999  
1 1 1 -16 21 25 o 39.45313 0.6863376 15.58866       0.5413199 15.06778       0.7662213 16.10769       0.7648644 -1.317982      1.372675  
1 1 1 -16 21 26 o 43.01585 0.6965709 18.29835       0.5950728 20.51167       0.9096996 16.64290       0.7867466 4.489120       1.393142  
1 1 1 -16 21 27 o 28.04969 0.7014785 7.895064       0.3926749 7.410489       0.5609075 8.360821       0.5499082 -1.694763      1.402957  
1 1 1 -16 21 28 o 20.49990 0.8280649 4.318236       0.3300744 3.267097       0.4783544 5.273580       0.4560363 -4.895737      1.656130  
1 1 1 -16 21 29 o 19.41642 0.8355595 3.573571       0.3153560 4.984406       0.5170875 2.738064       0.3979249 5.774214       1.671119  
1 1 1 -16 21 30 f 57.13823 0.7795610 32.56151       0.8887813 30.46715       1.208398  35.02969       1.311815  -3.983810      1.559122  
1 1 1 -16 21 31 o 48.12041 0.7277812 22.65311       0.6903377 26.45278       1.095736  20.15226       0.8889492 6.529396       1.455562  
1 1 1 -16 21 32 o 67.54045 0.8599085 45.73370       1.161489  45.53194       1.650329  45.93172       1.634965  -0.2975464     1.719817  
1 1 1 -16 21 33 o 78.27357 0.9488655 61.44629       1.485180  60.40952       2.077705  62.52955       2.123776  -1.348709      1.897731  
1 1 1 -16 21 34 o 35.17123 0.7267919 12.40405       0.5089712 12.29307       0.7544734 12.49675       0.6894953 -0.2958221     1.453584  
1 1 1 -16 21 35 o 84.83526 1.007170  71.98858       1.704916  68.55672       2.316758  76.04262       2.518028  -4.384445      2.014340  
1 1 1 -16 21 36 o 46.42076 0.7506851 21.58960       0.6958009 21.72432       1.014964  21.47014       0.9557272 0.2675476      1.501370  
1 1 1 -16 21 37 o 31.81952 0.7525007 10.13856       0.4760064 10.23802       0.7149816 10.05937       0.6379367 0.2722664      1.505001  
1 1 1 -16 21 38 o 69.24551 0.8914635 48.06272       1.233985  46.41730       1.713931  49.83361       1.778074  -2.458275      1.782927  
1 1 1 -16 21 39 o 25.65999 0.8210164 6.538124       0.4157006 6.999337       0.6517591 6.221829       0.5397370 1.500050       1.642033  
1 1 1 -16 21 40 o 46.64604 0.7687175 21.74901       0.7153774 19.72483       0.9833165 24.02499       1.042684  -4.601383      1.537435  
1 1 1 -16 21 41 o 20.61334 0.9823751 4.285948       0.3947748 4.194582       0.6297312 4.345100       0.5067032 -0.3862495     1.964750  
1 1 1 -16 21 42 o 43.80386 0.8478773 19.15119       0.7389396 18.27653       0.9871438 20.26597       1.114433  -2.251339      1.695755  
1 1 1 -16 21 43 o 44.41259 1.056949  19.71909       0.9284817 20.67053       1.437074  19.03734       1.216469  1.793629       2.113898  
1 1 1 -16 21 44 o 19.15697 1.430612  3.825152       0.5249229 3.262830       0.8375060 4.188981       0.6736647 -2.462963      2.861224  
1 1 1 -16 21 45 o 27.98304 1.173966  8.037372       0.6403010 7.179583       0.9931762 8.647491       0.8376130 -2.662233      2.347931  
1 1 1 -16 21 46 o 26.58153 1.218180  7.073390       0.6310895 7.385300       1.023196  6.881879       0.8017565 0.8876953      2.436360  
1 1 1 -16 21 47 o 47.99422 1.120144  23.30823       1.071054  21.76265       1.548251  24.72673       1.483236  -3.104580      2.240289  
1 1 1 -16 21 48 o 26.55089 1.248996  6.973931       0.6479225 7.824817       1.056891  6.461600       0.8201057 2.494068       2.497993  
1 1 1 -16 21 49 o 48.27991 1.143529  23.57115       1.099429  22.92977       1.619161  24.11983       1.497599  -1.266544      2.287059  
1 1 1 -16 21 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 22 1  o 71.56366 0.8579332 51.27622       1.227666  50.74305       1.714941  51.83667       1.758232  -0.7614822     1.715866  
1 1 1 -16 22 2  o 133.4510 1.444885  178.3681       3.848226  172.1655       5.241089  185.6232       5.668425  -4.998779      2.889769  
1 1 1 -16 22 3  o 27.79830 0.5718229 7.735937       0.3176280 7.643283       0.4574630 7.822182       0.4413575 -0.3224258     1.143646  
1 1 1 -16 22 4  o 97.62222 1.503649  94.85839       2.914808  88.91734       3.854629  102.7923       4.454444  -7.043198      3.007299  
1 1 1 -16 22 5  o 20.04859 0.6440906 4.039314       0.2570616 3.634354       0.3666474 4.430830       0.3605102 -1.986641      1.288181  
1 1 1 -16 22 6  o 43.21601 0.8041260 18.41643       0.6893715 16.47210       0.9074847 21.06939       1.060031  -5.310406      1.608252  
1 1 1 -16 22 7  o 138.2016 1.829539  189.5317       4.691527  185.1064       5.632407  199.5592       8.478492  -4.870804      3.659077  
1 1 1 -16 22 8  o 30.66609 0.9618355 9.524047       0.5460765 9.146769       0.9690217 9.699614       0.6610352 -0.9215927     1.923671  
1 1 1 -16 22 9  o 107.8534 1.195657  116.2606       2.572255  111.6017       3.487869  121.8162       3.808705  -4.708527      2.391315  
1 1 1 -16 22 10 o 60.28185 0.7721733 36.37318       0.9308276 35.87016       1.302965  36.89750       1.330237  -0.8506279     1.544347  
1 1 1 -16 22 11 o 51.40391 0.7063473 26.40275       0.7253583 25.49999       0.9972181 27.41703       1.057015  -1.861717      1.412695  
1 1 1 -16 22 12 o 51.84383 0.7103170 26.90468       0.7364492 26.91159       1.048380  26.89795       1.034747  0.1247787E-01  1.420634  
1 1 1 -16 22 13 o 58.70858 0.7630121 34.42901       0.8947040 35.99697       1.307442  33.04807       1.226991  2.507183       1.526024  
1 1 1 -16 22 14 o 46.88481 0.6901454 21.75618       0.6433230 19.70144       0.8554529 24.43089       0.9760135 -5.037853      1.380291  
1 1 1 -16 22 15 o 68.32671 0.8428837 46.74712       1.151754  46.37238       1.617570  47.13247       1.640321  -0.5548553     1.685767  
1 1 1 -16 22 16 o 63.06407 0.8010936 39.76376       1.009499  38.46332       1.392040  41.20632       1.466136  -2.170471      1.602187  
1 1 1 -16 22 17 o 20.40953 0.7224234 4.130685       0.2922584 4.454998       0.4503151 3.894667       0.3841558 1.369123       1.444847  
1 1 1 -16 22 18 o 27.88801 0.6542995 7.619365       0.3610428 9.146627       0.5599611 6.532701       0.4723332 4.681967       1.308599  
1 1 1 -16 22 19 o 66.97153 0.8364472 44.86718       1.119217  46.12439       1.627684  43.73963       1.541458  1.774559       1.672894  
1 1 1 -16 22 20 o 20.61421 0.7426235 4.292156       0.3028651 3.604366       0.4315996 4.959405       0.4251062 -3.287062      1.485247  
1 1 1 -16 22 21 o 52.33927 0.7305430 27.42726       0.7646862 27.07431       1.076382  27.78690       1.086549  -0.6801109     1.461086  
1 1 1 -16 22 22 o 23.33355 0.7053944 5.432216       0.3280388 5.670275       0.4885578 5.236783       0.4426639 0.9260197      1.410789  
1 1 1 -16 22 23 o 38.04416 0.6700841 14.39197       0.5077270 15.56864       0.7618186 13.45166       0.6810241 2.777191       1.340168  
1 1 1 -16 22 24 o 40.71002 0.6836084 16.56186       0.5557678 17.17505       0.8132445 16.02452       0.7612756 1.409554       1.367217  
1 1 1 -16 22 25 f 28.03513 0.6895633 7.775185       0.3839388 8.696818       0.5868975 7.085695       0.5076302 2.867743       1.379127  
1 1 1 -16 22 26 o 25.05284 0.7255002 6.273335       0.3617662 6.413877       0.5413781 6.159946       0.4862756 0.5025940      1.451000  
1 1 1 -16 22 27 o 21.42617 0.7821084 4.633132       0.3324209 4.257184       0.4896013 4.954663       0.4527828 -1.630720      1.564217  
1 1 1 -16 22 28 o 50.77850 0.7414805 25.76486       0.7520663 24.25496       1.034982  27.45402       1.094692  -3.145027      1.482961  
1 1 1 -16 22 29 o 19.77184 0.8307071 3.820080       0.3243500 4.679112       0.5069793 3.224838       0.4220194 3.669329       1.661414  
1 1 1 -16 22 30 o 25.12330 0.7689675 6.386118       0.3813814 5.240462       0.5418884 7.510594       0.5368562 -4.518452      1.537935  
1 1 1 -16 22 31 f 28.66553 0.7386586 8.164146       0.4204283 8.791640       0.6423270 7.693815       0.5561015 1.906639       1.477317  
1 1 1 -16 22 32 o 44.09765 0.7265659 19.48368       0.6403489 18.51620       0.8993379 20.47854       0.9119747 -2.223759      1.453132  
1 1 1 -16 22 33 o 80.06976 0.9659443 64.32654       1.546425  64.98482       2.217743  63.70356       2.157454  0.7921448      1.931889  
1 1 1 -16 22 34 o 62.91808 0.8390598 39.43592       1.051989  36.64679       1.415933  42.87247       1.571703  -4.928932      1.678120  
1 1 1 -16 22 35 o 55.89623 0.7962329 31.33072       0.8898223 31.12007       1.272779  31.53211       1.244495  -0.3718605     1.592466  
1 1 1 -16 22 36 o 26.49725 0.8148867 7.141531       0.4244778 5.725772       0.6076678 8.490668       0.5931984 -5.219061      1.629773  
1 1 1 -16 22 37 o 22.92614 0.8727469 5.348357       0.3930529 4.807048       0.5967236 5.763198       0.5223858 -2.095705      1.745494  
1 1 1 -16 22 38 o 35.24956 0.7606675 12.46894       0.5340904 12.36745       0.7900205 12.55437       0.7248201 -0.2737656     1.521335  
1 1 1 -16 22 39 o 68.02193 0.8921762 46.26291       1.211216  43.31811       1.650602  49.69856       1.782870  -4.669189      1.784352  
1 1 1 -16 22 40 o 63.46924 1.173157  40.35667       1.485340  37.44280       2.016757  43.81098       2.195824  -4.979107      2.346314  
1 1 1 -16 22 41 o 62.71572 1.181560  39.63193       1.481105  37.82379       2.085210  41.47300       2.104115  -2.905083      2.363120  
1 1 1 -16 22 42 o 38.50504 0.9659923 14.88376       0.7432994 14.41020       1.026019  15.40681       1.078297  -1.284069      1.931985  
1 1 1 -16 22 43 o 18.96742 1.502638  3.958918       0.5215787 2.590299       0.8242674 4.872886       0.6735845 -6.061344      3.005275  
1 1 1 -16 22 44 o 28.31812 1.139210  8.076514       0.6318056 8.125432       1.001706  8.044198       0.8141797 0.9606743E-01  2.278420  
1 1 1 -16 22 45 o 14.39987 1.853367  2.215295       0.4958842 1.953619       0.8194841 2.366467       0.6228636 -1.766710      3.706734  
1 1 1 -16 22 46 o 27.32996 1.209640  7.646947       0.6446328 7.024826       1.008084  8.077331       0.8384686 -1.973591      2.419279  
1 1 1 -16 22 47 o 32.90949 1.146331  11.09383       0.7424344 9.133310       1.074039  12.88789       1.027433  -5.717674      2.292663  
1 1 1 -16 22 48 o 9.108192 2.709851  0.2410133      0.6163916 0.6156836      1.627348  0.1782569      0.6660160 4.062227       5.419703  
1 1 1 -16 23 1  o 51.26552 1.085776  25.58349       1.013192  28.21019       1.914956  24.56229       1.194010  3.494171       2.171552  
1 1 1 -16 23 2  f 44.00219 0.7938328 19.38518       0.6984164 19.58700       1.001487  19.19409       0.9744865 0.4447212      1.587666  
1 1 1 -16 23 3  o 32.07278 0.6785760 10.27723       0.4347591 9.624257       0.6011363 10.99335       0.6295305 -2.132803      1.357152  
1 1 1 -16 23 4  o 47.26696 0.7608153 22.10333       0.6954676 21.36384       0.8713310 23.40139       1.154425  -2.138241      1.521631  
1 1 1 -16 23 5  o 77.43964 0.9184558 59.35983       1.410159  54.93397       1.852238  65.46220       2.174935  -6.774185      1.836912  
1 1 1 -16 23 6  o 45.56574 0.6708526 20.50823       0.6068398 18.56128       0.8010207 23.13087       0.9296827 -5.007473      1.341705  
1 1 1 -16 23 7  o 26.84300 1.238766  7.242303       0.6638967 7.542076       0.9256330 6.924719       0.9527370 1.152584       2.477532  
1 1 1 -16 23 8  o 72.14885 0.8728108 52.06276       1.258041  50.52906       1.730241  53.78297       1.832431  -2.247948      1.745622  
1 1 1 -16 23 9  o 43.54957 0.6632190 18.98402       0.5775672 19.00672       0.8243783 18.96215       0.8094336 0.5038071E-01  1.326438  
1 1 1 -16 23 10 o 80.86492 0.9485336 65.14746       1.527841  69.60408       2.289468  61.56927       2.051459  4.949921       1.897067  
1 1 1 -16 23 11 o 66.29785 0.8241275 43.86868       1.090221  46.22470       1.610153  41.87416       1.481481  3.272453       1.648255  
1 1 1 -16 23 12 o 91.66267 1.048273  84.23286       1.921693  84.02937       2.706022  84.43990       2.729500  -0.2219238     2.096545  
1 1 1 -16 23 13 o 51.87805 0.7193313 26.85695       0.7447731 28.28933       1.097762  25.63536       1.013780  2.552879       1.438663  
1 1 1 -16 23 14 o 70.90556 0.8654158 50.35252       1.227071  51.09752       1.754091  49.63855       1.717178  1.026138       1.730832  
1 1 1 -16 23 15 o 55.16753 0.7465043 30.38839       0.8224154 28.85049       1.126295  32.14495       1.203702  -2.980938      1.493009  
1 1 1 -16 23 16 o 103.4421 1.160121  107.2640       2.398486  109.7676       3.469727  104.9728       3.319219  2.302429       2.320242  
1 1 1 -16 23 17 o 38.46672 0.6602471 14.73514       0.5064518 13.33775       0.6901280 16.36593       0.7455391 -3.932838      1.320494  
1 1 1 -16 23 18 f 19.58420 0.7398275 3.828527       0.2889490 3.997046       0.4283854 3.687860       0.3913874 0.7868481      1.479655  
1 1 1 -16 23 19 o 16.40101 0.9036859 2.828707       0.2747899 1.624300       0.3883672 4.036150       0.3888564 -7.352705      1.807372  
1 1 1 -16 23 20 o 83.65123 0.9806252 70.14534       1.640183  71.03597       2.351825  69.30196       2.288605  1.030235       1.961250  
1 1 1 -16 23 21 o 115.8125 1.283184  134.1272       2.960715  127.8882       3.982400  141.8370       4.426961  -5.963127      2.566368  
1 1 1 -16 23 22 o 54.81506 0.7567382 30.05485       0.8287802 31.02370       1.205372  29.18614       1.141388  1.671074       1.513476  
1 1 1 -16 23 23 o 77.92632 0.9361324 60.84767       1.458402  59.62027       2.027705  62.16306       2.099132  -1.624435      1.872265  
1 1 1 -16 23 24 o 40.37864 0.6932197 16.24233       0.5581632 17.47198       0.8293085 15.22401       0.7546822 2.777939       1.386439  
1 1 1 -16 23 25 o 103.1960 1.164427  106.9596       2.403283  106.9250       3.399745  106.9943       3.397767  -0.3384399E-01 2.328854  
1 1 1 -16 23 26 o 81.61728 0.9710659 66.81686       1.585025  66.12411       2.227233  67.52775       2.256175  -0.8565598     1.942132  
1 1 1 -16 23 27 o 68.69873 0.8665028 47.31799       1.190484  47.37603       1.693210  47.26125       1.674149  0.8149719E-01  1.733006  
1 1 1 -16 23 28 o 65.31068 0.8422878 42.76087       1.100057  42.99377       1.570537  42.53655       1.541305  0.3468628      1.684576  
1 1 1 -16 23 29 o 22.58643 0.7912117 5.065603       0.3547193 5.491915       0.5432148 4.748681       0.4683641 1.637407       1.582423  
1 1 1 -16 23 30 o 57.35444 0.7921419 32.77842       0.9050021 35.11480       1.356023  30.90196       1.215250  3.657482       1.584284  
1 1 1 -16 23 31 o 12.95553 1.282382  1.841191       0.2989653 1.163955       0.4515150 2.369917       0.3989491 -4.827339      2.564764  
1 1 1 -16 23 32 o 36.21286 0.7217431 13.16023       0.5218103 12.75651       0.7534018 13.53245       0.7234138 -1.074478      1.443486  
1 1 1 -16 23 33 f 36.61002 0.7369404 13.39551       0.5367682 11.58614       0.7389932 15.41620       0.7809533 -5.226379      1.473881  
1 1 1 -16 23 34 o 47.83744 0.7578555 22.94606       0.7243710 22.82010       1.046234  23.06204       1.003907  -0.2577705     1.515711  
1 1 1 -16 23 35 o 52.11919 0.7845627 27.06565       0.8151140 24.57662       1.104284  30.04518       1.208203  -5.232727      1.569125  
1 1 1 -16 23 36 o 33.15213 0.7547856 11.08232       0.4976772 10.13754       0.7209594 11.94232       0.6878510 -2.726315      1.509571  
1 1 1 -16 23 37 o 52.83720 1.052607  28.09469       1.111061  27.51218       1.599941  28.63724       1.544102  -1.075008      2.105214  
1 1 1 -16 23 38 o 54.08458 1.074690  29.37544       1.160948  27.33418       1.609823  31.58751       1.675822  -3.919411      2.149380  
1 1 1 -16 23 39 o 47.77504 0.9052806 22.53786       0.8379921 21.44692       1.049871  24.45308       1.391062  -3.087841      1.810561  
1 1 1 -16 23 40 o 30.85528 0.9229959 9.609922       0.5665027 8.554515       0.8073506 10.63355       0.7951016 -3.371244      1.845992  
1 1 1 -16 23 41 o 22.27221 1.200623  5.025170       0.5232131 4.887871       0.8244563 5.117753       0.6770113 -0.5523491     2.401246  
1 1 1 -16 23 42 o 8.459063 2.112684  0.6557373      0.4365070 0.5356356      0.7380532 0.7203475      0.5413327 -0.1108160     4.225368  
1 1 1 -16 23 43 o 35.36363 1.062942  12.62486       0.7422220 12.39624       1.138732  12.79374       0.9786766 -0.5995102     2.125884  
1 1 1 -16 23 44 o 15.57443 1.854580  2.879173       0.5102615 1.424087       0.8021144 3.868300       0.6613297 -8.003955      3.709161  
1 1 1 -16 23 45 o 24.01185 1.303430  5.915352       0.6020974 5.524473       0.9792809 6.152921       0.7634487 -1.377972      2.606860  
1 1 1 -16 23 46 f 42.64671 1.108182  18.44060       0.9383778 17.35807       1.388106  19.35166       1.273431  -2.368275      2.216363  
1 1 1 -16 23 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 24 1  o 74.37263 0.8907816 55.41956       1.324623  54.78657       1.847562  56.08909       1.900146  -0.8710251     1.781563  
1 1 1 -16 24 2  o 64.42899 0.8040166 41.54365       1.035441  42.79242       1.495776  40.39462       1.434797  1.856033       1.608033  
1 1 1 -16 24 3  o 33.22668 0.9462868 11.30842       0.5136526 11.49287       0.5810124 10.64846       1.099041  1.315105       1.892574  
1 1 1 -16 24 4  o 99.03001 1.638647  98.76196       3.245242  99.88204       4.625549  97.67617       4.554213  1.102654       3.277293  
1 1 1 -16 24 5  o 37.69456 1.145023  14.21057       0.8596539 16.14252       1.252656  12.49072       1.181896  4.836330       2.290045  
1 1 1 -16 24 6  o 54.44415 1.176372  29.72679       1.280386  30.89101       1.838877  28.63120       1.783856  2.069286       2.352744  
1 1 1 -16 24 7  o 19.62809 0.6586144 3.878533       0.2538511 2.978750       0.3524537 4.848409       0.3659244 -4.761896      1.317229  
1 1 1 -16 24 8  o 103.3494 1.157558  107.0396       2.390099  110.3315       3.478781  104.0963       3.289386  2.995972       2.315116  
1 1 1 -16 24 9  o 71.49762 0.8679291 51.19419       1.240597  52.15955       1.785435  50.29302       1.725061  1.300362       1.735858  
1 1 1 -16 24 10 o 69.80528 0.8556895 48.82358       1.194619  48.72612       1.684774  48.92213       1.694159  -0.1396255     1.711379  
1 1 1 -16 24 11 o 56.20176 0.7504262 31.51106       0.8415024 33.42193       1.243631  29.89730       1.142872  3.128387       1.500852  
1 1 1 -16 24 12 o 36.36132 0.6439067 13.23551       0.4680141 13.27250       0.6734458 13.20095       0.6508748 0.9694672E-01  1.287813  
1 1 1 -16 24 13 o 11.04238 0.9873779 1.204068       0.2162798 1.378254       0.3326241 1.076482       0.2846747 1.361683       1.974756  
1 1 1 -16 24 14 o 38.88643 0.6539994 15.10101       0.5078319 15.83007       0.7442073 14.46571       0.6947105 1.750984       1.307999  
1 1 1 -16 24 15 o 29.68170 0.6521715 8.831435       0.3866020 8.576613       0.5567048 9.068790       0.5372877 -0.8303986     1.304343  
1 1 1 -16 24 16 o 30.08372 0.6558747 9.063673       0.3943416 9.009676       0.5675977 9.114056       0.5482709 -0.1748047     1.311749  
1 1 1 -16 24 17 o 16.94647 0.8083466 2.900850       0.2715497 2.645205       0.4000472 3.119290       0.3697932 -1.401323      1.616693  
1 1 1 -16 24 18 f 10.05093 1.224819  1.022956       0.2376200 1.081279       0.3701223 0.9820617      0.3099252 0.3184261      2.449638  
1 1 1 -16 24 19 o 67.26247 0.8445836 45.34016       1.136162  45.13636       1.602023  45.54638       1.611571  -0.3039246     1.689167  
1 1 1 -16 24 20 o 61.59944 0.8060405 37.39061       0.9830293 33.76004       1.283680  42.53875       1.528602  -7.103661      1.612081  
1 1 1 -16 24 21 o 43.39921 0.6957893 18.78385       0.6020607 19.85466       0.8952413 17.89966       0.8135009 2.245815       1.391579  
1 1 1 -16 24 22 o 74.14273 0.9063450 55.10110       1.343675  54.14894       1.876004  56.10412       1.925447  -1.313240      1.812690  
1 1 1 -16 24 23 o 58.14635 0.7843148 33.88066       0.9120468 33.96673       1.297626  33.79663       1.282171  0.1447830      1.568630  
1 1 1 -16 24 24 o 34.16103 0.6946840 11.67345       0.4738380 10.76087       0.6578791 12.65719       0.6830456 -2.773350      1.389368  
1 1 1 -16 24 25 f 27.00754 0.7352777 7.347543       0.3945422 6.430260       0.5613634 8.242957       0.5546315 -3.356552      1.470555  
1 1 1 -16 24 26 o 27.52043 0.7234141 7.570697       0.3965248 7.780025       0.5916092 7.399960       0.5343011 0.6849518      1.446828  
1 1 1 -16 24 27 f 41.16365 0.7194606 16.96339       0.5916817 15.89153       0.8246371 18.10071       0.8494429 -2.680988      1.438921  
1 1 1 -16 24 28 o 96.31099 1.109170  93.07986       2.134291  95.82922       3.104839  90.61687       2.938696  2.680511       2.218340  
1 1 1 -16 24 29 o 32.41265 0.7238268 10.51844       0.4658540 8.892746       0.6441490 12.30113       0.6745349 -5.254660      1.447654  
1 1 1 -16 24 30 o 67.72352 0.8688530 45.70658       1.171311  49.03572       1.763251  43.07718       1.567026  4.374222       1.737706  
1 1 1 -16 24 31 o 21.42625 0.8523109 4.599181       0.3611611 4.643163       0.5548791 4.566852       0.4757262 0.1680336      1.704622  
1 1 1 -16 24 32 o 68.78244 0.8833770 46.91274       1.204916  51.72968       1.856510  43.40697       1.583812  6.011604       1.766754  
1 1 1 -16 24 33 o 38.28275 0.8016340 14.79599       0.6029229 14.16833       0.9344724 15.24361       0.7891531 -1.424160      1.603268  
1 1 1 -16 24 34 o 26.64441 1.010788  7.184766       0.5345082 6.610896       0.7855982 7.679400       0.7293494 -2.015070      2.021576  
1 1 1 -16 24 35 f 17.07095 1.392070  3.140797       0.4437326 2.102064       0.6779601 3.919255       0.5869076 -5.343529      2.784140  
1 1 1 -16 24 36 o 14.52825 1.306383  2.131678       0.3781109 1.899365       0.5303654 2.371797       0.5392032 -1.623828      2.612767  
1 1 1 -16 24 37 o 44.29786 0.8285714 19.42982       0.7264195 17.97365       0.9483231 21.49746       1.130024  -3.948578      1.657143  
1 1 1 -16 24 38 o 45.60126 0.8985763 20.88302       0.8193656 21.19950       1.172947  20.58142       1.145072  0.6727066      1.797153  
1 1 1 -16 24 39 f 34.40102 0.9393866 11.79447       0.6435485 10.60324       0.8662248 13.26194       0.9614329 -3.845760      1.878773  
1 1 1 -16 24 40 o 24.19351 1.154584  5.897386       0.5479776 5.929556       0.8643251 5.875763       0.7085879 0.7114029E-01  2.309167  
1 1 1 -16 24 41 o 30.48719 1.087070  9.519572       0.6513028 7.817925       0.9473022 11.04504       0.8969237 -5.304483      2.174141  
1 1 1 -16 24 42 o 16.12551 1.556462  2.608253       0.4834868 2.764320       0.8096644 2.521760       0.6027510 0.6781607      3.112925  
1 1 1 -16 24 43 o 12.76426 1.968495  1.637034       0.4749117 2.170946       0.7996605 1.346108       0.5902860 3.040147       3.936990  
1 1 1 -16 24 44 o 19.43343 1.463943  3.682328       0.5545594 4.525218       0.9189160 3.199496       0.6954870 3.329798       2.927886  
1 1 1 -16 24 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 25 1  o 25.22628 0.5728973 6.349899       0.2885722 6.761073       0.4226932 5.990972       0.3949259 1.524622       1.145795  
1 1 1 -16 25 2  o 47.79416 0.6841103 22.86700       0.6537828 22.45739       0.9128398 23.29839       0.9368029 -0.8780136     1.368221  
1 1 1 -16 25 3  o 49.61812 0.6969884 24.65516       0.6916375 24.77940       0.9833989 24.53356       0.9729312 0.2469330      1.393977  
1 1 1 -16 25 4  o 79.34792 0.9380632 63.06244       1.487497  61.51506       2.054841  64.76604       2.156088  -2.038307      1.876126  
1 1 1 -16 25 5  o 39.55391 0.7223012 15.65332       0.5592421 15.58941       0.7197490 15.75069       0.8883829 -0.1908569     1.444602  
1 1 1 -16 25 6  o 80.59953 0.9501190 65.05967       1.530254  67.01682       2.221133  63.29136       2.111257  2.299889       1.900238  
1 1 1 -16 25 7  o 69.07352 0.8497140 47.75170       1.172784  49.27118       1.703512  46.38263       1.617000  2.083038       1.699428  
1 1 1 -16 25 8  o 55.63017 0.7489172 30.83232       0.8304664 29.03021       1.119874  33.03426       1.237887  -3.589321      1.497834  
1 1 1 -16 25 9  o 97.88532 1.394830  96.89054       2.556741  97.85354       3.119615  94.92030       4.462181  1.696289       2.789659  
1 1 1 -16 25 10 o 36.87091 1.142924  13.62780       0.8419440 13.20217       1.159010  14.10337       1.225116  -1.213928      2.285847  
1 1 1 -16 25 11 o 80.83710 1.425636  65.73275       2.303988  64.95875       3.206500  66.55890       3.312758  -0.9732056     2.851272  
1 1 1 -16 25 12 f 23.59886 1.364212  5.553546       0.6236306 7.682742       0.9348119 3.846024       0.8371429 8.114735       2.728424  
1 1 1 -16 25 13 o 17.42702 1.176028  2.643033       0.3114439 3.714073       0.8026395 2.453190       0.3379202 3.557532       2.352056  
1 1 1 -16 25 14 o 5.120178 1.291867  0.8270041E-01  0.2129478 -0.4329037     0.3268059 0.4631550      0.2807263 -3.210582      2.583734  
1 1 1 -16 25 15 o 57.02627 0.7663910 32.54876       0.8735279 31.68003       1.209144  33.49711       1.263348  -1.588406      1.532782  
1 1 1 -16 25 16 o 43.61604 0.6900508 19.04966       0.6018333 18.53749       0.8450260 19.57686       0.8573495 -1.190502      1.380102  
1 1 1 -16 25 17 o 44.48965 0.6958637 19.80025       0.6185750 20.37956       0.8990532 19.27950       0.8524039 1.232430       1.391727  
1 1 1 -16 25 18 f 29.01809 0.6776028 8.431541       0.3924833 8.470452       0.5739169 8.397355       0.5379387 0.1229706      1.355206  
1 1 1 -16 25 19 o 61.29681 0.8067089 37.57609       0.9876052 36.13064       1.353809  39.22034       1.443911  -2.511169      1.613418  
1 1 1 -16 25 20 o 56.34115 0.7763441 31.77287       0.8741530 30.80075       1.208077  32.84124       1.266467  -1.805012      1.552688  
1 1 1 -16 25 21 o 8.547455 1.513984  0.7721045      0.2574195 0.6988634      0.3919393 0.8276650      0.3413695 -0.6874638     3.027969  
1 1 1 -16 25 22 o 58.45573 0.7924325 34.25270       0.9264282 34.01909       1.310156  34.48631       1.310178  -0.3996353     1.584865  
1 1 1 -16 25 23 o 6.692340 1.450015  0.3935103      0.2539063 -0.9301791E-01 0.3824410 0.7769883      0.3395320 -3.837366      2.900030  
1 1 1 -16 25 24 o 52.11724 0.7562405 27.06633       0.7854699 29.06245       1.172784  25.44260       1.057746  3.460861       1.512481  
1 1 1 -16 25 25 o 29.51969 0.7163721 8.770244       0.4210683 8.031339       0.6056073 9.461711       0.5858454 -2.424732      1.432744  
1 1 1 -16 25 26 o 51.51974 0.7572285 26.49277       0.7778878 28.00983       1.155960  25.23721       1.051625  2.679348       1.514457  
1 1 1 -16 25 27 f 45.06593 0.7307817 20.34517       0.6579972 20.54965       0.9543840 20.15993       0.9084143 0.4274712      1.461563  
1 1 1 -16 25 28 o 58.32634 0.8053809 34.03448       0.9380382 35.48394       1.374102  32.76951       1.283682  2.316021       1.610762  
1 1 1 -16 25 29 f 79.19156 0.9666942 62.94370       1.530334  63.97308       2.205431  61.98783       2.125234  1.241119       1.933388  
1 1 1 -16 25 30 o 20.99582 1.008868  4.342303       0.4009771 4.698303       0.7013906 4.169464       0.4887160 1.223270       2.017735  
1 1 1 -16 25 31 o 21.59886 1.065009  4.503959       0.4496777 5.635039       0.7374451 3.834447       0.5673648 4.136381       2.130018  
1 1 1 -16 25 32 o 61.30250 1.130845  37.76420       1.385346  35.82859       1.920411  39.86438       2.000385  -3.275761      2.261690  
1 1 1 -16 25 33 o 55.32484 0.8088622 30.45297       0.8902569 33.17862       1.346429  28.33575       1.186675  4.353725       1.617724  
1 1 1 -16 25 34 o 32.35865 0.8218271 10.47481       0.5309496 9.943002       0.7254238 11.08839       0.7792104 -1.761648      1.643654  
1 1 1 -16 25 35 o 5.382789 1.659231  -0.8310709E-01 0.3349670 -0.7872193E-01 0.4885192 -0.8699825E-01 0.4601797 0.1933413      3.318462  
1 1 1 -16 25 36 f 5.567110 1.708482  -0.2017851     0.3575495 0.2054234      0.5694930 -0.4667383     0.4593721 2.327361       3.416963  
1 1 1 -16 25 37 f 18.54254 1.203049  3.473835       0.4436944 3.411208       0.6597557 3.525547       0.5995179 -0.3236847     2.406098  
1 1 1 -16 25 38 o 46.00950 0.9595394 21.13222       0.8767794 20.03025       1.161406  22.59249       1.336949  -2.746853      1.919079  
1 1 1 -16 25 39 o 53.08102 1.092553  28.39453       1.156227  28.28630       1.702130  28.48726       1.575505  -0.2199249     2.185105  
1 1 1 -16 25 40 o 13.94845 1.704915  1.933664       0.4569080 2.398674       0.7478365 1.656691       0.5771580 2.781505       3.409831  
1 1 1 -16 25 41 o 14.53803 1.680519  2.096839       0.4765840 2.417620       0.7838216 1.908690       0.6002946 1.673964       3.361038  
1 1 1 -16 25 42 f 44.31699 1.060778  19.77168       0.9349360 20.01267       1.401966  19.57866       1.254662  0.4509392      2.121556  
1 1 1 -16 25 43 o 9.366001 3.787060  0.000000       0.000000  ?              ?         0.4625838      1.100832  ?              ?         
1 1 1 -16 26 1  o 79.58211 0.9451529 63.50234       1.503594  62.43342       2.087316  64.65525       2.167771  -1.386131      1.890306  
1 1 1 -16 26 2  o 83.18236 0.9799420 69.39560       1.629775  70.93343       2.340657  67.94840       2.270638  1.785515       1.959884  
1 1 1 -16 26 3  o 63.90678 1.061994  41.11621       1.238980  40.73297       2.271457  41.27853       1.478250  -0.5309486     2.123987  
1 1 1 -16 26 4  o 42.30756 0.6654730 17.91533       0.5628582 17.51731       0.7823551 18.34239       0.8103882 -0.9727554     1.330946  
1 1 1 -16 26 5  o 25.53145 0.6099342 6.531531       0.3109826 6.094505       0.4383042 6.974555       0.4413027 -1.723232      1.219868  
1 1 1 -16 26 6  o 32.16834 0.6223720 10.36098       0.4003641 10.13343       0.5631899 10.59346       0.5692596 -0.7145729     1.244744  
1 1 1 -16 26 7  o 50.21391 0.7098441 25.15966       0.7113485 23.73947       0.9681198 26.82611       1.048703  -3.066349      1.419688  
1 1 1 -16 26 8  o 23.88832 0.6363511 5.669677       0.3023410 6.132018       0.4578180 5.312088       0.4026285 1.711784       1.272702  
1 1 1 -16 26 9  f 67.97472 0.8469570 46.26624       1.150495  44.97449       1.588393  47.69186       1.668666  -1.990288      1.693914  
1 1 1 -16 26 10 o 20.04882 0.6839585 4.033706       0.2726854 3.953064       0.4057719 4.100115       0.3682271 -0.3699646     1.367917  
1 1 1 -16 26 11 o 49.01086 0.7110381 23.97955       0.6955932 22.73195       0.9479997 25.43464       1.023803  -2.750381      1.422076  
1 1 1 -16 26 12 o 38.59246 0.6608426 14.88682       0.5094913 13.99044       0.7037581 15.87404       0.7385603 -2.437412      1.321685  
1 1 1 -16 26 13 o 34.73312 0.6562715 12.06057       0.4553074 11.24984       0.6302062 12.94581       0.6585310 -2.439011      1.312543  
1 1 1 -16 26 14 o 22.00882 0.7080964 4.721302       0.3073572 5.906092       0.4808833 3.903018       0.3996421 4.543074       1.416193  
1 1 1 -16 26 15 o 37.74233 0.6717996 14.26423       0.5069231 14.43793       0.7284198 14.10109       0.7059054 0.4442253      1.343599  
1 1 1 -16 26 16 o 46.65718 0.7103370 21.63582       0.6597811 23.65814       0.9931878 20.03843       0.8826972 3.868488       1.420674  
1 1 1 -16 26 17 o 57.78823 1.031025  33.60909       1.084637  33.72127       1.291305  33.34032       1.998749  0.4260216      2.062050  
1 1 1 -16 26 18 o 45.96469 0.9691579 20.96388       0.7934129 20.68222       0.9273978 21.73288       1.532395  -1.064995      1.938316  
1 1 1 -16 26 19 f 65.14053 1.287250  42.66206       1.675602  41.71442       2.312928  43.70874       2.430779  -1.509972      2.574501  
1 1 1 -16 26 20 o 68.40004 1.316969  47.02846       1.799382  45.62879       2.471387  48.60751       2.624972  -2.149178      2.633937  
1 1 1 -16 26 21 o 45.39472 1.172529  20.71028       1.063929  20.40484       1.475766  21.04083       1.535243  -0.6905174     2.345058  
1 1 1 -16 26 22 o 61.20041 1.246481  37.69454       1.525618  37.66926       2.145922  37.72037       2.169368  -0.3749084E-01 2.492962  
1 1 1 -16 26 23 f 42.77489 1.167104  18.36037       0.9971816 19.67869       1.445852  17.16442       1.377113  2.927208       2.334208  
1 1 1 -16 26 24 o 46.14906 1.171700  21.42155       1.081171  21.47093       1.512703  21.36999       1.545849  0.1151466      2.343400  
1 1 1 -16 26 25 o 47.03359 0.9808076 22.21071       0.8304189 22.22499       1.562642  22.20510       0.9802980 -0.6531525E-01 1.961615  
1 1 1 -16 26 26 o 19.82560 1.389343  4.241251       0.4291759 3.526740       0.9436176 4.427604       0.4819041 -2.368389      2.778687  
1 1 1 -16 26 27 o 49.98333 1.367034  0.000000       0.000000  ?              ?         25.09716       1.366578  ?              ?         
1 1 1 -16 26 28 o 29.47536 1.375709  8.841369       0.6518099 8.647820       1.437129  8.891495       0.7313591 -0.5748215     2.751417  
1 1 1 -16 26 29 f 48.29044 0.9599465 23.39853       0.9265600 24.33246       1.338191  22.53846       1.284184  1.848373       1.919893  
1 1 1 -16 26 30 o 7.922405 1.943221  0.4625216      0.3412508 0.9051256      0.6751419 0.3106430      0.3954901 3.225009       3.886443  
1 1 1 -16 26 31 o 23.19392 1.059515  5.265604       0.4736298 5.945960       0.8024256 4.901841       0.5867404 2.208851       2.119030  
1 1 1 -16 26 32 o 49.27475 0.9302604 24.07758       0.9076250 26.59250       1.408717  22.29267       1.186780  4.323196       1.860521  
1 1 1 -16 26 33 o 55.72169 0.9619071 31.25159       1.070334  30.27435       1.541515  32.16131       1.487303  -1.703575      1.923814  
1 1 1 -16 26 34 o 15.23737 1.935941  2.794464       0.4942871 1.656552       0.9125072 3.266995       0.5880277 -5.536470      3.871881  
1 1 1 -16 26 35 o 29.32908 1.201281  8.847988       0.6528990 8.219154       1.144838  9.151092       0.7948247 -1.679478      2.402563  
1 1 1 -16 26 36 o 31.33252 1.625044  10.90777       0.7906837 8.492867       1.708954  11.56551       0.8918860 -5.168205      3.250088  
1 1 1 -16 26 37 o 24.08433 1.396503  0.000000       0.000000  ?              ?         5.836456       0.6726766 ?              ?         
1 1 1 -16 26 38 o 24.59716 2.472804  0.000000       0.000000  ?              ?         6.172970       1.216479  ?              ?         
1 1 1 -16 26 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 26 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 26 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 27 1  o 33.13559 0.6125285 10.91665       0.4044071 11.98582       0.6042186 10.04902       0.5442990 2.917366       1.225057  
1 1 1 -16 27 2  o 41.45890 1.193003  17.29068       0.9879985 17.40695       1.366447  17.16331       1.430215  0.3044357      2.386006  
1 1 1 -16 27 3  o 8.668009 0.9469970 0.7383568      0.1617897 0.8453147      0.2567342 0.6678997      0.2083720 1.017035       1.893994  
1 1 1 -16 27 4  o 36.70946 0.6393455 13.44386       0.4683725 12.69371       0.6371788 14.32564       0.6908264 -2.218033      1.278691  
1 1 1 -16 27 5  o 44.94827 0.6819420 20.19215       0.6121162 21.09254       0.8962907 19.40512       0.8379750 1.871597       1.363884  
1 1 1 -16 27 6  o 14.62193 0.7502726 2.210737       0.2125173 1.704947       0.3156615 2.630044       0.2874107 -3.166215      1.500545  
1 1 1 -16 27 7  o 45.19900 0.6866373 20.29531       0.6179469 18.62259       0.8279979 22.39835       0.9284151 -4.167339      1.373275  
1 1 1 -16 27 8  o 8.896028 1.173220  0.9095223      0.1944357 0.4321325      0.2981984 1.262592       0.2564476 -4.652511      2.346441  
1 1 1 -16 27 9  o 50.32864 0.7225739 25.34960       0.7268462 24.48183       1.006118  26.29686       1.051195  -1.798683      1.445148  
1 1 1 -16 27 10 o 30.61801 0.6456877 9.285973       0.3930965 10.42735       0.5959399 8.406844       0.5230161 3.293020       1.291375  
1 1 1 -16 27 11 o 23.68482 0.6753290 5.633799       0.3190182 5.208390       0.4545612 6.046707       0.4478338 -1.770363      1.350658  
1 1 1 -16 27 12 o 62.35596 0.8123981 38.98365       1.013147  39.15477       1.436829  38.81444       1.428816  0.2719803      1.624796  
1 1 1 -16 27 13 o 50.07906 0.7271726 24.99744       0.7259747 26.80961       1.081115  23.50924       0.9797236 3.284706       1.454345  
1 1 1 -16 27 14 o 38.43266 0.6813698 14.74585       0.5227160 13.60683       0.7167124 16.04019       0.7640174 -3.161118      1.362740  
1 1 1 -16 27 15 o 52.31796 0.7452698 27.15646       0.7749953 29.93692       1.178951  25.04069       1.028423  4.663025       1.490540  
1 1 1 -16 27 16 o 24.62552 0.6992536 6.086210       0.3437213 5.880248       0.4965167 6.275744       0.4763036 -0.8050804     1.398507  
1 1 1 -16 27 17 o 26.43624 0.6927633 6.929986       0.3642175 7.719999       0.5518494 6.320279       0.4848020 2.640549       1.385527  
1 1 1 -16 27 18 o 24.00193 0.7203790 5.719233       0.3440630 6.339679       0.5192400 5.233566       0.4593946 2.297874       1.440758  
1 1 1 -16 27 19 o 40.28606 0.7040077 16.20231       0.5660140 14.86648       0.7756915 17.72355       0.8277738 -3.540493      1.408015  
1 1 1 -16 27 20 o 38.50756 0.6987893 14.80983       0.5369004 15.56532       0.7931651 14.17089       0.7294179 1.803722       1.397579  
1 1 1 -16 27 21 o 14.28923 1.018757  2.041977       0.2874016 2.109392       0.4466776 1.994351       0.3754368 0.3909063      2.037515  
1 1 1 -16 27 22 o 48.98817 0.7431109 24.04952       0.7273816 24.31917       1.054398  23.80467       1.004744  0.5189552      1.486222  
1 1 1 -16 27 23 f 25.65840 0.8588858 6.613509       0.4201395 6.586803       0.7103259 6.627881       0.5210556 -0.1078739     1.717772  
1 1 1 -16 27 24 o 30.50280 0.8836830 9.371014       0.5360441 9.017981       0.7928813 9.668220       0.7274939 -1.076002      1.767366  
1 1 1 -16 27 25 f 31.33879 0.9048123 9.882836       0.5646192 9.609779       0.8320070 10.11594       0.7687263 -0.8176308     1.809625  
1 1 1 -16 27 26 f 91.16190 1.076514  83.58698       1.962741  83.66622       2.777086  83.50790       2.774385  0.8631897E-01  2.153028  
1 1 1 -16 27 27 o 33.78915 0.7888567 11.45948       0.5321066 11.56060       0.7323716 11.34641       0.7744116 0.3229256      1.577713  
1 1 1 -16 27 28 o 84.78984 1.103243  71.94357       1.841872  70.09364       2.388937  74.65507       2.892228  -2.586388      2.206487  
1 1 1 -16 27 29 o 41.81643 0.8127028 17.50650       0.6765079 17.12292       0.9092903 17.98207       1.012457  -1.010952      1.625406  
1 1 1 -16 27 30 o 29.01499 0.8375071 8.453682       0.4858795 8.662475       0.6864474 8.244048       0.6878294 0.7212849      1.675014  
1 1 1 -16 27 31 f 15.53158 1.323303  2.375937       0.4054971 2.988402       0.6292406 1.940950       0.5302908 3.345393       2.646606  
1 1 1 -16 27 32 o 22.09809 1.033780  4.898664       0.4560978 5.264751       0.6677952 4.578582       0.6244259 1.542704       2.067559  
1 1 1 -16 27 33 o 33.28181 0.9345288 11.13371       0.6219376 11.34083       0.8902108 10.93622       0.8692683 0.6035118      1.869058  
1 1 1 -16 27 34 o 31.90498 0.9908128 10.28847       0.6281481 9.763041       0.9284767 10.73193       0.8529875 -1.534914      1.981626  
1 1 1 -16 27 35 o 41.43777 1.005797  17.04353       0.8237257 18.81084       1.288657  15.82253       1.071123  3.555397       2.011594  
1 1 1 -16 27 36 o 26.93295 1.081300  7.350095       0.5771474 6.994778       0.8645648 7.635721       0.7751548 -1.213194      2.162601  
1 1 1 -16 27 37 o 14.89565 1.720883  2.540151       0.4560671 1.557761       0.7272923 3.176792       0.5854833 -5.683844      3.441765  
1 1 1 -16 27 38 o 30.56857 1.059257  9.468992       0.6431823 8.860728       0.9474263 9.988958       0.8759652 -1.863791      2.118515  
1 1 1 -16 27 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 28 1  o 40.99532 0.6543870 16.75088       0.5349734 18.00686       0.7944564 15.70886       0.7236276 2.795460       1.308774  
1 1 1 -16 28 2  o 88.11544 1.025980  77.99881       1.808028  77.64693       2.544083  78.35789       2.569988  -0.3993073     2.051959  
1 1 1 -16 28 3  o 31.46814 0.6273892 9.880552       0.3938687 8.976631       0.5398821 10.90906       0.5758888 -3.066998      1.254778  
1 1 1 -16 28 4  o 52.72663 0.7356316 27.81964       0.7749832 28.89434       1.127038  26.85571       1.067377  1.926540       1.471263  
1 1 1 -16 28 5  o 35.30408 0.6442527 12.35518       0.4525058 11.07092       0.6049895 13.98599       0.6817436 -4.121040      1.288505  
1 1 1 -16 28 6  o 65.68581 0.8366886 43.23398       1.098398  42.23708       1.519241  44.32577       1.589908  -1.580994      1.673377  
1 1 1 -16 28 7  f 24.47657 0.6694374 5.892759       0.3200147 4.309769       0.4246094 7.974234       0.4868959 -7.479479      1.338875  
1 1 1 -16 28 8  o 53.79632 0.7526702 28.97953       0.8091402 28.29724       1.117087  29.73260       1.173597  -1.327648      1.505340  
1 1 1 -16 28 9  o 60.20306 0.7968086 35.91002       0.9523047 39.90702       1.459351  32.94571       1.256765  5.757023       1.593617  
1 1 1 -16 28 10 o 13.49132 0.8695630 1.785647       0.2318915 2.201088       0.3582535 1.486073       0.3042198 2.642745       1.739126  
1 1 1 -16 28 11 o 48.58279 0.7183864 23.58161       0.6966943 24.85194       1.024732  22.48969       0.9500501 2.422886       1.436773  
1 1 1 -16 28 12 o 44.31155 0.7001920 19.67127       0.6203947 19.97361       0.8888410 19.38404       0.8663331 0.6627846      1.400384  
1 1 1 -16 28 13 o 34.37422 0.6679264 11.75673       0.4574938 12.86474       0.6834224 10.85705       0.6158316 2.913162       1.335853  
1 1 1 -16 28 14 o 76.20349 0.9323673 58.27707       1.420457  57.45878       1.976751  59.15071       2.042521  -1.100174      1.864735  
1 1 1 -16 28 15 o 40.90557 0.6944382 16.75119       0.5675028 17.16307       0.8258182 16.38264       0.7811810 0.9487991      1.388876  
1 1 1 -16 28 16 o 26.41992 0.7017262 7.006689       0.3682638 5.982171       0.5136672 8.090188       0.5282459 -3.987719      1.403452  
1 1 1 -16 28 17 o 14.14372 0.9748265 2.034828       0.2712888 1.844045       0.4107621 2.182431       0.3613002 -1.204504      1.949653  
1 1 1 -16 28 18 o 38.77814 0.6979362 15.07466       0.5412568 14.97089       0.7681912 15.17695       0.7627433 -0.2663536     1.395872  
1 1 1 -16 28 19 o 37.26004 0.7951956 13.78507       0.5719182 14.46110       0.9517668 13.40302       0.7155033 1.386948       1.590391  
1 1 1 -16 28 20 o 14.85116 1.099276  2.144379       0.3202543 2.621148       0.5184476 1.850207       0.4072412 2.573956       2.198553  
1 1 1 -16 28 21 o 50.30892 0.9712908 25.39770       0.9764473 23.97837       1.356819  26.92248       1.406321  -2.917530      1.942582  
1 1 1 -16 28 22 f 40.39676 0.8099407 16.38971       0.6476886 16.49276       0.8583685 16.25346       0.9869789 0.3146935      1.619881  
1 1 1 -16 28 23 o 23.37597 0.8235441 5.484935       0.3848955 5.336431       0.5453069 5.632373       0.5433473 -0.6332970     1.647088  
1 1 1 -16 28 24 o 59.13662 0.8753771 35.20382       1.031049  36.25774       1.408514  33.98714       1.513373  1.936958       1.750754  
1 1 1 -16 28 25 o 55.32156 0.8526625 30.76534       0.9390812 31.14787       1.273086  30.30878       1.390834  0.7778358      1.705325  
1 1 1 -16 28 26 o 62.26568 0.9080228 38.96008       1.122679  39.03641       1.501552  38.86333       1.690629  0.1730385      1.816046  
1 1 1 -16 28 27 o 59.09735 0.9616458 34.95708       1.104066  34.48193       1.399230  35.74097       1.797199  -0.9888611     1.923292  
1 1 1 -16 28 28 o 69.28386 1.861576  49.02393       2.566581  48.65966       3.816558  49.32467       3.467836  -0.6162338     3.723152  
1 1 1 -16 28 29 o 43.27797 0.9055201 18.68300       0.7799132 17.44974       1.041677  20.25621       1.176520  -3.215141      1.811040  
1 1 1 -16 28 30 f 38.87354 0.9053590 15.16987       0.7034091 14.66378       0.9731295 15.72362       1.017923  -1.354221      1.810718  
1 1 1 -16 28 31 o 23.44898 1.076969  5.361672       0.4940222 6.395065       0.8078287 4.744317       0.6243874 3.475870       2.153938  
1 1 1 -16 28 32 o 11.61181 1.838378  1.444393       0.4067161 1.349064       0.6625412 1.502041       0.5152186 -0.7225094     3.676755  
1 1 1 -16 28 33 o 36.20073 0.9900547 13.25703       0.7132112 12.19875       1.032318  14.22347       0.9865069 -2.807346      1.980109  
1 1 1 -16 28 34 o 42.85007 1.019201  18.53132       0.8702418 16.63577       1.226008  20.45622       1.235462  -4.455505      2.038402  
1 1 1 -16 28 35 o 19.97076 1.277292  4.032225       0.5005392 4.040352       0.7880559 4.026729       0.6480453 -0.9635925E-02 2.554583  
1 1 1 -16 28 36 o 15.26558 2.300487  2.041116       0.5168267 3.175868       1.386093  1.857877       0.5569942 3.470554       4.600973  
1 1 1 -16 29 1  o 9.296038 2.474927  0.6718832      0.6274831 0.7860174      0.8444938 0.5312014      0.9375783 0.4461565      4.949854  
1 1 1 -16 29 2  o 31.50131 1.350794  9.991608       0.8395565 12.35078       1.227605  7.918613       1.150743  7.016796       2.701588  
1 1 1 -16 29 3  o 25.29866 1.104964  5.780481       0.3860997 7.395385       1.097872  5.552562       0.4124467 3.514593       2.209929  
1 1 1 -16 29 4  f 44.93152 0.6956689 19.98408       0.6206406 22.39419       0.9500026 18.18949       0.8197652 4.663021       1.391338  
1 1 1 -16 29 5  o 42.57663 0.6877954 18.10794       0.5846413 19.30175       0.8580251 17.07334       0.7987673 2.609756       1.375591  
1 1 1 -16 29 6  o 41.43250 0.6825287 16.90526       0.5601445 19.49586       0.8684878 15.06006       0.7329701 5.336727       1.365057  
1 1 1 -16 29 7  o 79.15119 0.9563687 62.93491       1.513936  62.96624       2.136091  62.90328       2.146002  0.4144287E-01  1.912737  
1 1 1 -16 29 8  o 67.47845 0.8587596 45.65900       1.158224  44.57915       1.603660  46.83650       1.674595  -1.661903      1.717519  
1 1 1 -16 29 9  o 95.83395 1.106128  92.40174       2.120086  92.68803       2.999191  92.11582       2.997318  0.2981644      2.212255  
1 1 1 -16 29 10 o 20.28581 0.7256188 4.151513       0.2925402 3.791474       0.4254391 4.474426       0.4029082 -1.686192      1.451238  
1 1 1 -16 29 11 o 27.01252 0.6742768 7.325511       0.3636255 6.893212       0.5179165 7.745761       0.5106487 -1.578926      1.348554  
1 1 1 -16 29 12 o 22.18661 0.7261763 4.979993       0.3190120 4.258492       0.4576520 5.661906       0.4449196 -3.164364      1.452353  
1 1 1 -16 29 13 o 69.17632 0.8791249 48.03882       1.216283  48.21132       1.719024  47.86589       1.721146  0.2500000      1.758250  
1 1 1 -16 29 14 o 23.03255 0.7221140 5.269223       0.3308505 5.805573       0.5006732 4.853465       0.4408095 2.059210       1.444228  
1 1 1 -16 29 15 o 73.10434 1.040826  53.73255       1.521754  54.01863       2.159436  53.45033       2.144810  0.3859787      2.081652  
1 1 1 -16 29 16 o 19.58869 0.9600777 3.982230       0.3621743 2.845312       0.5247852 5.016207       0.5004635 -5.545244      1.920155  
1 1 1 -16 29 17 o 32.55433 0.8313617 10.66013       0.5395533 10.27584       0.7866409 11.00153       0.7414498 -1.121424      1.662723  
1 1 1 -16 29 18 o 36.30495 0.7754684 13.04385       0.5564020 12.14122       0.7235853 14.34968       0.8703203 -3.020344      1.550937  
1 1 1 -16 29 19 o 67.70771 0.9386305 45.90418       1.255984  45.06920       1.647023  47.06449       1.941555  -1.420853      1.877261  
1 1 1 -16 29 20 o 23.45726 0.7977607 5.521933       0.3734281 6.022623       0.5339444 5.042554       0.5224571 2.087265       1.595521  
1 1 1 -16 29 21 f 50.82425 0.8643545 25.84957       0.8769557 27.45909       1.289120  24.46312       1.196463  2.931480       1.728709  
1 1 1 -16 29 22 o 24.27429 0.8698562 5.906110       0.4216739 6.119676       0.6170131 5.718951       0.5776091 0.8185616      1.739712  
1 1 1 -16 29 23 o 30.20551 0.8348179 9.140730       0.5037372 9.747266       0.7307500 8.591535       0.6953514 1.907106       1.669636  
1 1 1 -16 29 24 o 55.86750 0.9673014 31.14643       1.068453  29.87582       1.396643  32.93935       1.659058  -2.687534      1.934603  
1 1 1 -16 29 25 o 54.00367 0.9524364 29.37870       1.025997  30.09145       1.411320  28.57979       1.494182  1.417168       1.904873  
1 1 1 -16 29 26 o 58.24858 1.005842  33.51214       1.147801  31.21852       1.461462  37.20427       1.854237  -5.050392      2.011684  
1 1 1 -16 29 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 29 28 o 31.40082 0.9398639 9.969709       0.5864295 9.321748       0.8620805 10.52779       0.8000610 -1.933533      1.879728  
1 1 1 -16 29 29 f 15.90915 1.294539  2.627362       0.3981279 2.239953       0.6207498 2.898084       0.5189124 -2.098492      2.589079  
1 1 1 -16 29 30 o 24.15036 1.023900  5.852014       0.4876189 6.008161       0.7599617 5.742742       0.6357406 0.5185242      2.047801  
1 1 1 -16 29 31 o 13.05023 1.616176  1.803270       0.3994239 1.585498       0.6261591 1.952680       0.5186495 -1.674811      3.232352  
1 1 1 -16 29 32 o 46.40496 1.013622  21.72639       0.9390205 20.58275       1.342790  22.82091       1.313641  -2.418777      2.027243  
1 1 1 -16 29 33 o 24.19736 1.180630  6.187445       0.5447918 4.573614       0.8285239 7.416694       0.7230963 -5.904337      2.361261  
1 1 1 -16 29 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 30 1  o 39.80839 0.7742920 15.90464       0.6163006 15.60103       0.8757033 16.20261       0.8675156 -0.7568474     1.548584  
1 1 1 -16 30 2  o 44.28217 0.8238064 19.65724       0.7290962 18.77213       1.011015  20.61634       1.052427  -2.075603      1.647613  
1 1 1 -16 30 3  o 13.19497 0.8774611 1.580782       0.2131667 2.866409       0.3631194 0.9047593      0.2633131 7.416870       1.754922  
1 1 1 -16 30 4  o 26.16409 0.7046558 6.871543       0.3674084 6.776058       0.5410267 6.953265       0.5005218 -0.3442173     1.409312  
1 1 1 -16 30 5  o 52.16518 0.8684282 27.21397       0.9034620 30.26802       1.321284  24.53219       1.238141  5.483719       1.736856  
1 1 1 -16 30 6  o 39.75611 0.7653847 15.86409       0.6079567 16.04461       0.8437935 15.66922       0.8767123 0.4769974      1.530769  
1 1 1 -16 30 7  o 65.21397 1.346355  42.74038       1.756023  42.74038       1.756023  ?              ?         ?              ?         
1 1 1 -16 30 8  o 40.99108 2.609287  17.11736       2.139150  17.11736       2.139150  ?              ?         ?              ?         
1 1 1 -16 30 9  o 59.45421 2.635142  36.02526       3.133405  36.02526       3.133405  ?              ?         ?              ?         
1 1 1 -16 30 10 o 13.46313 2.373928  2.053568       0.5311848 1.427498       1.318224  2.174931       0.5803904 -2.410356      4.747857  
1 1 1 -16 30 11 o 59.18071 1.529536  37.11175       1.579425  32.04075       2.993785  39.06749       1.859213  -6.260727      3.059072  
1 1 1 -16 30 12 o 64.26898 1.089493  41.53416       1.398906  42.51444       2.034770  40.65552       1.926381  1.422813       2.178985  
1 1 1 -16 30 13 o 27.77185 0.8083609 7.772314       0.4471683 7.185714       0.6444642 8.316929       0.6209727 -2.040382      1.616722  
1 1 1 -16 30 14 o 82.29140 1.225291  68.47304       2.001081  69.85960       2.684948  66.74047       3.001320  1.972214       2.450581  
1 1 1 -16 30 15 o 35.04011 0.7860866 12.31814       0.5505254 12.24454       0.7637247 12.39774       0.7942960 -0.2137909     1.572173  
1 1 1 -16 30 16 f 41.59399 0.8234771 17.36682       0.6838936 17.35512       0.9403223 17.37996       0.9964604 -0.2052689E-01 1.646954  
1 1 1 -16 30 17 o 13.40573 1.177670  1.731155       0.3086537 2.288206       0.5011359 1.390687       0.3917830 3.320987       2.355339  
1 1 1 -16 30 18 o 51.12005 0.9145802 25.63630       0.9149047 23.44586       1.159791  29.24511       1.488662  -5.607948      1.829160  
1 1 1 -16 30 19 o 28.62960 0.8235709 8.224507       0.4708374 7.604926       0.6561408 8.882230       0.6760340 -2.227127      1.647142  
1 1 1 -16 30 20 o 21.50069 0.8986805 4.633600       0.3845651 4.771782       0.5764242 4.522761       0.5162519 0.5670109      1.797361  
1 1 1 -16 30 21 o 19.35081 1.024191  3.864991       0.3857244 3.216298       0.5847337 4.364730       0.5132278 -2.983301      2.048381  
1 1 1 -16 30 22 o 54.79510 1.019577  30.03712       1.111368  31.91732       1.678391  28.56903       1.483090  3.011372       2.039154  
1 1 1 -16 30 23 o 29.60536 0.9016624 8.791381       0.5286876 8.940303       0.8089217 8.680335       0.6985226 0.4168530      1.803325  
1 1 1 -16 30 24 o 10.84591 1.646590  1.237371       0.3385113 1.247904       0.5510566 1.230987       0.4289969 -0.6735802E-02 3.293181  
1 1 1 -16 30 25 o 37.97839 0.9337634 14.54241       0.7057247 12.80710       0.9932289 16.31179       1.002933  -4.611935      1.867527  
1 1 1 -16 30 26 o 27.73371 0.9606134 7.708629       0.5264046 7.942820       0.8151884 7.541129       0.6894153 0.6947479      1.921227  
1 1 1 -16 30 27 o 9.888452 1.858843  1.052284       0.3695900 0.9201092      0.6009793 1.132677       0.4686998 -0.9114437     3.717686  
1 1 1 -16 30 28 o 40.51071 0.9572213 16.34244       0.7674896 17.68691       1.190842  15.38721       1.003766  2.793934       1.914443  
1 1 1 -16 30 29 o 15.90604 1.309824  2.465891       0.4089051 3.136165       0.6571202 2.042345       0.5223594 3.395249       2.619649  
1 1 1 -16 30 30 f 41.89707 2.108593  0.000000       0.000000  ?              ?         17.83177       1.766877  ?              ?         
1 1 1 -16 31 1  o 62.75819 1.042794  39.65376       1.308811  39.67409       1.860554  39.63385       1.841470  0.2766418E-01  2.085589  
1 1 1 -16 31 2  o 24.15247 0.6977754 5.803905       0.3343228 6.209289       0.5126835 5.503979       0.4409835 1.448997       1.395551  
1 1 1 -16 31 3  o 85.54813 1.355637  73.98846       2.318537  72.49149       3.224277  75.59138       3.336411  -1.777878      2.711274  
1 1 1 -16 31 4  f 20.44296 0.7478234 4.261868       0.3007139 3.534633       0.4382431 4.908964       0.4133916 -3.365467      1.495647  
1 1 1 -16 31 5  o 19.67707 0.7570660 3.905714       0.2946632 3.741360       0.4459267 4.033099       0.3925847 -0.7503014     1.514132  
1 1 1 -16 31 6  o 37.43478 0.7849486 14.04992       0.5866337 14.36056       0.8594930 13.77900       0.8026696 0.7667885      1.569897  
1 1 1 -16 31 7  o 32.78621 0.7598386 10.67519       0.4946134 11.71226       0.7571278 9.903105       0.6532829 2.741352       1.519677  
1 1 1 -16 31 8  o 61.21709 1.042820  37.67113       1.274811  38.80090       1.865077  36.68048       1.746472  1.704224       2.085639  
1 1 1 -16 31 9  o 46.38970 0.8793257 21.61698       0.8152096 21.82865       1.178585  21.42283       1.128788  0.4276161      1.758651  
1 1 1 -16 31 10 o 73.70790 1.207393  54.65134       1.776153  52.20904       2.418063  57.51312       2.617493  -3.544273      2.414785  
1 1 1 -16 31 11 o 67.83320 1.134086  46.38678       1.538463  46.32821       2.188120  46.44404       2.163518  -0.9159851E-01 2.268172  
1 1 1 -16 31 12 o 79.96882 1.293549  64.47092       2.065718  62.01469       2.827625  67.28220       3.025095  -3.236832      2.587099  
1 1 1 -16 31 13 o 42.02228 0.8612486 17.32591       0.7131603 20.19116       1.133609  15.44913       0.9174609 5.601109       1.722497  
1 1 1 -16 31 14 o 31.47441 0.8246683 9.937117       0.5158302 8.488444       0.7135054 11.52333       0.7466082 -4.815212      1.649337  
1 1 1 -16 31 15 f 14.54829 1.050357  2.052523       0.2997353 2.582103       0.4841914 1.723491       0.3816548 2.927061       2.100715  
1 1 1 -16 31 16 o 39.06628 0.8653070 15.12959       0.6703763 16.90622       1.033358  13.83853       0.8808992 3.896816       1.730614  
1 1 1 -16 31 17 o 65.88436 1.398254  41.85941       1.665374  39.29115       1.945868  48.89148       3.219847  -6.886829      2.796508  
1 1 1 -16 31 18 o 40.34004 1.290885  16.36114       1.041487  16.36114       1.041487  ?              ?         ?              ?         
1 1 1 -16 31 19 f 22.35960 1.800140  5.052971       0.8050084 5.052971       0.8050084 ?              ?         ?              ?         
1 1 1 -16 31 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 31 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 31 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 31 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 31 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 31 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 31 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 32 1  o 10.34371 0.9841822 0.9993498      0.1896581 1.571567       0.3223750 0.6964636      0.2345420 4.311967       1.968364  
1 1 1 -16 32 2  o 55.11939 0.9527379 30.57274       1.050134  30.61928       1.498461  30.52782       1.472116  0.7678604E-01  1.905476  
1 1 1 -16 32 3  o 45.09459 0.8421969 20.39148       0.7580078 21.07750       1.115017  19.80201       1.033579  1.397511       1.684394  
1 1 1 -16 32 4  o 29.01249 0.7231787 8.446143       0.4184610 8.464081       0.6154019 8.430716       0.5707084 0.4968262E-01  1.446357  
1 1 1 -16 32 5  f 47.37287 0.8732681 22.56164       0.8272614 22.29969       1.175433  22.81873       1.164492  -0.5501213     1.746536  
1 1 1 -16 32 6  o 23.73460 0.7324454 5.549847       0.3438408 6.366850       0.5373272 4.983309       0.4474472 2.898771       1.464891  
1 1 1 -16 32 7  o 17.32070 0.8129340 2.888211       0.2754088 3.679464       0.4499411 2.414135       0.3482746 3.632768       1.625868  
1 1 1 -16 32 8  o 32.78777 0.7696070 10.64976       0.5000613 11.84613       0.7734433 9.790473       0.6554906 3.112938       1.539214  
1 1 1 -16 32 9  o 39.90122 0.8224136 15.82312       0.6513435 17.36407       0.9985205 14.68179       0.8593450 3.333492       1.644827  
1 1 1 -16 32 10 o 48.95418 0.9113181 24.10617       0.8920058 23.89504       1.273323  24.30963       1.249974  -0.4286156     1.822636  
1 1 1 -16 32 11 o 13.83392 1.000046  1.841598       0.2697878 2.339063       0.4462729 1.555081       0.3386835 2.807096       2.000093  
1 1 1 -16 32 12 o 49.36781 0.9261779 24.30688       0.9103884 22.20022       1.220240  26.95163       1.367229  -4.778530      1.852356  
1 1 1 -16 32 13 o 19.72376 0.8738926 3.956252       0.3405966 3.505673       0.5026792 4.338675       0.4631037 -2.120245      1.747785  
1 1 1 -16 32 14 o 30.46549 0.8118647 9.348544       0.4932948 8.642384       0.7030104 10.03347       0.6923599 -2.285227      1.623729  
1 1 1 -16 32 15 f 22.02477 0.8763705 4.890217       0.3824870 4.779070       0.5779863 4.976813       0.5101749 -0.4638500     1.752741  
1 1 1 -16 32 16 o 13.43276 1.142900  1.852145       0.2964426 1.692002       0.4748055 1.954449       0.3794958 -1.003663      2.285799  
1 1 1 -16 32 17 o 14.06629 1.171505  2.045585       0.3202640 1.745858       0.4923913 2.265364       0.4216388 -1.866652      2.343011  
1 1 1 -16 32 18 o 66.37869 1.141720  44.07084       1.508017  40.72801       2.012421  48.35189       2.277391  -5.668873      2.283440  
1 1 1 -16 32 19 o 39.49679 0.8789248 15.40088       0.6856555 17.46573       1.077999  13.99800       0.8885550 4.348980       1.757850  
1 1 1 -16 32 20 o 44.20195 0.9338413 19.56770       0.8229232 17.53809       1.125451  21.89950       1.206332  -4.914642      1.867683  
1 1 1 -16 32 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 33 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 33 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -16 33 4  o 87.83611 1.963978  0.000000       0.000000  ?              ?         78.22217       3.450164  ?              ?         
1 1 1 -16 33 5  o 24.32752 0.7544295 5.990149       0.3640837 5.376324       0.5305673 6.536437       0.5005289 -2.390062      1.508859  
1 1 1 -16 33 6  o 38.86099 0.8023676 15.17750       0.6232703 14.61762       0.8823561 15.73505       0.8805216 -1.438103      1.604735  
1 1 1 -16 33 7  o 30.20574 0.7552013 9.003376       0.4512045 10.22795       0.7048459 8.153152       0.5873123 3.411987       1.510403  
1 1 1 -16 33 8  o 26.64427 0.7709381 7.026526       0.4044827 7.698595       0.6411735 6.582262       0.5213031 2.071503       1.541876  
1 1 1 -16 33 9  f 62.76201 1.074493  39.42694       1.340274  42.21996       2.036318  37.29221       1.780251  3.855877       2.148986  
1 1 1 -16 33 10 o 33.87445 1.080792  0.000000       0.000000  ?              ?         11.52314       0.7322243 ?              ?         
1 1 1 -16 33 11 o 26.83200 1.068287  0.000000       0.000000  ?              ?         7.229410       0.5732855 ?              ?         
1 1 1 -16 33 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  1  o 249.9350 3.693912  626.0911       18.44608  628.8569       26.22351  623.3823       25.95199  -0.000000      0.000000  
1 1 1 -15 0  2  o 114.3395 1.755972  130.9203       4.010726  129.3696       5.613324  132.5377       5.732603  -0.000000      0.000000  
1 1 1 -15 0  3  o 142.9081 2.148737  204.5422       6.134599  202.7819       8.600263  206.3656       8.753021  -0.000000      0.000000  
1 1 1 -15 0  4  o 183.2813 2.728133  336.5053       9.989686  334.0105       14.02361  339.0755       14.23383  -0.000000      0.000000  
1 1 1 -15 0  5  o 54.89585 0.9662704 30.12662       1.058032  28.92689       1.451399  31.48714       1.545605  -0.000000      0.000000  
1 1 1 -15 0  6  o 183.1621 2.732782  335.5113       9.987118  325.5436       13.69705  346.8261       14.59336  -0.000000      0.000000  
1 1 1 -15 0  7  o 165.4719 2.472185  274.0087       8.166373  267.9336       11.27224  280.7194       11.84719  -0.000000      0.000000  
1 1 1 -15 0  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  9  o 255.1054 3.770815  651.5693       19.20308  636.5453       26.49141  668.2048       27.87598  -0.000000      0.000000  
1 1 1 -15 0  10 o 495.1054 7.287356  2463.449       72.08588  2478.485       102.6416  2448.814       101.2621  -0.000000      0.000000  
1 1 1 -15 0  11 o 562.0281 8.293187  3162.951       92.73225  3020.837       124.4711  3340.224       139.0179  -0.000000      0.000000  
1 1 1 -15 0  12 o 196.5034 2.920019  386.4315       11.45292  396.5671       16.65226  377.3335       15.77691  -0.000000      0.000000  
1 1 1 -15 0  13 f 53.30540 0.9490017 28.43044       1.009409  29.39611       1.466012  27.55992       1.391909  -0.000000      0.000000  
1 1 1 -15 0  14 o 92.12828 1.442639  85.01023       2.655168  84.44129       3.736121  85.59079       3.774115  -0.000000      0.000000  
1 1 1 -15 0  15 o 42.65130 0.8401060 18.22968       0.7152697 17.98514       0.9998316 18.48602       1.023678  -0.000000      0.000000  
1 1 1 -15 0  16 f 113.5651 1.737285  129.1539       3.940969  127.7075       5.506493  130.6727       5.642747  -0.000000      0.000000  
1 1 1 -15 0  17 o 36.34637 0.7974425 13.24416       0.5782948 13.03278       0.8063587 13.46802       0.8298101 -0.000000      0.000000  
1 1 1 -15 0  18 o 29.73636 0.7877008 8.810191       0.4651683 8.016144       0.6260686 9.788758       0.6950148 -0.000000      0.000000  
1 1 1 -15 0  19 o 99.67871 1.548179  99.52536       3.083037  99.99139       4.376708  99.06635       4.343627  -0.000000      0.000000  
1 1 1 -15 0  20 o 340.8264 5.029208  1166.340       34.24472  1176.138       48.86453  1156.882       48.00560  -0.000000      0.000000  
1 1 1 -15 0  21 o 177.3273 2.646715  314.7557       9.368361  307.3669       12.91381  322.9645       13.61142  -0.000000      0.000000  
1 1 1 -15 0  22 o 57.55270 1.032473  33.18859       1.186604  33.33922       1.692415  33.04295       1.664163  -0.000000      0.000000  
1 1 1 -15 0  23 o 310.0008 4.576961  964.2833       28.34322  975.7355       40.60413  953.4002       39.58213  -0.000000      0.000000  
1 1 1 -15 0  24 o 130.4070 1.987866  170.2813       5.177125  167.1833       7.196966  173.6036       7.452859  -0.000000      0.000000  
1 1 1 -15 0  25 o 225.5987 3.349884  510.0534       15.09238  501.4756       20.95566  519.2976       21.75445  -0.000000      0.000000  
1 1 1 -15 0  26 o 228.1480 3.384260  521.9832       15.42690  523.6018       21.88585  520.3850       21.74866  -0.000000      0.000000  
1 1 1 -15 0  27 o 30.21195 1.116312  9.646341       0.6287153 10.79340       0.7961762 7.746141       1.024745  -0.000000      0.000000  
1 1 1 -15 0  28 f 245.9973 5.166026  607.1700       25.39161  607.1700       25.39161  607.1700       25.39161  -0.000000      0.000000  
1 1 1 -15 0  29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  33 o 153.7982 3.282645  237.1703       10.08706  237.1703       10.08706  237.1703       10.08706  -0.000000      0.000000  
1 1 1 -15 0  34 o 280.9392 4.170558  794.2687       23.40974  797.2906       33.26042  791.3020       32.95446  -0.000000      0.000000  
1 1 1 -15 0  35 o 56.36967 1.047841  31.72125       1.176426  33.63592       1.742621  30.11795       1.594644  -0.000000      0.000000  
1 1 1 -15 0  36 o 250.5626 3.728950  631.9166       18.66704  628.0064       26.22008  635.9354       26.58201  -0.000000      0.000000  
1 1 1 -15 0  37 o 36.41766 0.9084219 13.28669       0.6590694 12.51663       0.9085831 14.14185       0.9574665 -0.000000      0.000000  
1 1 1 -15 0  38 o 90.72041 1.457767  82.40659       2.639257  84.77618       3.838328  80.28148       3.634920  -0.000000      0.000000  
1 1 1 -15 0  39 o 7.302326 2.093571  0.7120685      0.3552695 0.2644295      0.4978009 1.176743       0.5071843 -0.000000      0.000000  
1 1 1 -15 0  40 o 28.37234 0.9406258 8.081863       0.5303944 8.647307       0.7755027 7.584904       0.7270240 -0.000000      0.000000  
1 1 1 -15 0  41 o 54.51115 1.036906  29.79842       1.128605  29.46580       1.588757  30.13725       1.603521  -0.000000      0.000000  
1 1 1 -15 0  42 o 64.44035 1.157611  41.64763       1.489682  41.59311       2.119439  41.70087       2.094244  -0.000000      0.000000  
1 1 1 -15 0  43 o 13.12310 1.759414  1.922759       0.3939259 1.328803       0.5389913 2.603804       0.5771554 -0.000000      0.000000  
1 1 1 -15 0  44 o 43.91354 0.9794349 19.35426       0.8580602 19.48857       1.230711  19.22721       1.196954  -0.000000      0.000000  
1 1 1 -15 0  45 o 35.44487 0.9629768 12.63162       0.6802596 12.25465       0.9598811 13.01199       0.9641981 -0.000000      0.000000  
1 1 1 -15 0  46 o 10.64485 2.119462  1.387269       0.3918486 1.549477       0.5459060 1.214868       0.5627950 -0.000000      0.000000  
1 1 1 -15 0  47 o 21.59240 1.148224  4.746204       0.4898644 5.009305       0.7003008 4.494121       0.6854827 -0.000000      0.000000  
1 1 1 -15 0  48 o 21.35242 1.163763  4.647654       0.4900758 5.038729       0.7009177 4.273612       0.6854836 -0.000000      0.000000  
1 1 1 -15 0  49 o 3.509547 1.718063  -0.3649411     0.3871765 -0.3431395     0.5503764 -0.3863007     0.5447671 -0.000000      0.000000  
1 1 1 -15 0  50 o 30.64055 1.046300  9.470647       0.6379145 9.313355       0.9027268 9.627537       0.9015689 -0.000000      0.000000  
1 1 1 -15 0  51 o 10.08777 2.341638  1.340392       0.4340306 1.633432       0.5976214 1.013296       0.6313938 -0.000000      0.000000  
1 1 1 -15 0  52 o 12.15725 2.174236  1.743652       0.4561106 1.772797       0.6332446 1.712230       0.6575154 -0.000000      0.000000  
1 1 1 -15 0  53 f 6.197808 2.426608  0.5390152      0.4384756 0.4329103      0.6318025 0.6376063      0.6090211 -0.000000      0.000000  
1 1 1 -15 0  54 o 33.60583 1.071199  11.38948       0.7167161 11.63093       1.014794  11.14917       1.012389  -0.000000      0.000000  
1 1 1 -15 0  55 o 58.00758 1.162597  33.83675       1.346047  33.48399       1.919227  34.17826       1.888344  -0.000000      0.000000  
1 1 1 -15 0  56 o 6.006076 2.468681  0.4628461      0.4788038 0.4941964      0.6702316 0.4301709      0.6842476 -0.000000      0.000000  
1 1 1 -15 0  57 o 72.23893 1.649135  52.71440       2.220063  52.73649       2.697214  52.66801       3.909223  -0.000000      0.000000  
1 1 1 -15 0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 1  1  o 177.2015 1.865605  314.0119       6.608817  309.3360       9.184774  319.0318       9.516614  -2.732574      3.731210  
1 1 1 -15 1  2  o 147.8264 1.699620  216.0290       4.897713  207.6134       6.207597  229.9064       7.971407  -7.525070      3.399239  
1 1 1 -15 1  3  o 75.30003 1.097332  57.04139       1.642359  52.70875       2.399760  60.85867       2.252518  -5.412430      2.194664  
1 1 1 -15 1  4  o 90.89367 1.416083  81.37942       2.544118  74.95045       3.306810  90.70428       3.982535  -8.661377      2.832166  
1 1 1 -15 1  5  o 92.24709 1.442778  85.12196       2.661441  84.97701       3.795212  85.26220       3.733244  -0.1550064     2.885556  
1 1 1 -15 1  6  o 383.4365 3.983024  1473.421       30.54472  1472.960       43.17390  1473.882       43.21965  -0.1193848     7.966048  
1 1 1 -15 1  7  o 404.7491 4.209897  1641.713       34.06834  1660.169       48.90117  1624.307       47.48964  4.401550       8.419793  
1 1 1 -15 1  8  o 122.0377 1.311788  148.9509       3.201439  147.8587       4.490199  150.0801       4.565784  -0.9096451     2.623576  
1 1 1 -15 1  9  o 173.3242 1.825479  300.4856       6.326810  297.2998       8.845520  303.8226       9.053009  -1.879807      3.650959  
1 1 1 -15 1  10 o 242.6405 3.583542  589.7272       17.38792  584.6131       24.35330  595.0453       24.83421  -2.141068      7.167083  
1 1 1 -15 1  11 o 94.04647 1.039847  88.26482       1.952483  91.65354       2.864855  85.32561       2.668089  3.363205       2.079694  
1 1 1 -15 1  12 o 196.6607 2.061886  386.3792       8.098771  375.8441       11.11138  398.3191       11.82906  -5.706345      4.123772  
1 1 1 -15 1  13 o 229.4487 2.397152  525.6228       10.97718  546.1779       16.16580  508.0358       14.95318  8.295807       4.794304  
1 1 1 -15 1  14 o 164.6028 1.736529  271.0651       5.716612  270.1154       8.051610  272.0305       8.117819  -0.5810852     3.473057  
1 1 1 -15 1  15 o 154.2312 1.631376  237.9683       5.031967  236.8138       7.077544  239.1484       7.155652  -0.7561035     3.262752  
1 1 1 -15 1  16 o 201.6617 2.113126  407.0006       8.522730  406.9477       12.05077  407.0536       12.05515  -0.2618408E-01 4.226252  
1 1 1 -15 1  17 o 170.2139 1.793620  289.0803       6.091326  301.3172       8.995555  278.7178       8.277987  6.629745       3.587241  
1 1 1 -15 1  18 o 130.4585 1.394992  170.1977       3.638576  172.6779       5.226439  167.8649       5.068636  1.843033       2.789983  
1 1 1 -15 1  19 o 277.8890 2.896556  772.8183       16.08329  792.0519       23.35794  755.4784       22.17831  6.553864       5.793112  
1 1 1 -15 1  20 o 274.9839 2.866904  756.3930       15.74568  736.1374       21.60597  779.3354       22.99434  -7.822510      5.733808  
1 1 1 -15 1  21 o 193.0686 2.027467  373.0861       7.828588  371.4657       11.02203  374.7359       11.12123  -0.8452911     4.054935  
1 1 1 -15 1  22 o 61.44967 0.7523192 37.12172       0.9143614 42.09119       1.428679  33.67398       1.190000  6.847473       1.504638  
1 1 1 -15 1  23 o 163.1129 2.104786  267.6699       6.531024  261.9365       11.04607  270.7515       8.098122  -2.751312      4.209573  
1 1 1 -15 1  24 o 320.8972 4.119590  1026.214       24.62625  1055.446       43.94745  1012.834       29.73281  6.141510       8.239180  
1 1 1 -15 1  25 o 74.36398 1.218083  55.20506       1.808828  53.35323       2.476019  57.32444       2.648857  -2.668213      2.436166  
1 1 1 -15 1  26 o 39.14802 0.8754581 15.31961       0.6852339 14.94821       0.9547357 15.71418       0.9840638 -0.9780617     1.750916  
1 1 1 -15 1  27 o 154.4251 2.318985  238.7180       7.159235  234.9204       9.954559  242.7868       10.30385  -2.538788      4.637970  
1 1 1 -15 1  28 o 28.03444 0.7703952 8.164179       0.4110954 9.081550       0.5262522 6.727899       0.6584782 4.198847       1.540790  
1 1 1 -15 1  29 o 193.3088 2.486177  375.7340       9.115788  378.5984       11.25595  370.2747       15.53957  2.272385       4.972354  
1 1 1 -15 1  30 o 29.95154 0.6347347 8.972195       0.3802237 9.012378       0.5381290 8.932134       0.5373068 0.1339512      1.269469  
1 1 1 -15 1  31 o 177.2985 1.873503  314.5940       6.639933  320.5762       9.577234  309.0572       9.213869  3.238846       3.747005  
1 1 1 -15 1  32 o 163.1085 2.128460  265.4062       6.498268  263.2674       7.887975  269.9239       11.46378  -1.921661      4.256921  
1 1 1 -15 1  33 f 191.0779 2.590250  368.2386       9.818265  383.9937       13.24535  349.0237       14.62757  9.212250       5.180499  
1 1 1 -15 1  34 o 57.24240 1.055339  32.56582       1.203014  30.49563       1.612545  35.16418       1.806577  -4.073624      2.110677  
1 1 1 -15 1  35 o 140.2583 2.131217  197.2954       5.977953  195.9120       8.391651  198.7208       8.517969  -0.9949951     4.262434  
1 1 1 -15 1  36 o 57.21423 1.056215  32.66745       1.206458  31.22221       1.647126  34.34032       1.772099  -2.721359      2.112430  
1 1 1 -15 1  37 o 90.06532 1.327611  80.54259       2.319784  84.09657       3.808478  78.44623       2.925013  3.099632       2.655223  
1 1 1 -15 1  38 o 60.92711 0.9530471 36.46455       1.075340  38.96765       1.958073  35.38360       1.286750  2.919655       1.906094  
1 1 1 -15 1  39 o 91.32689 1.035684  83.50691       1.891716  83.49989       2.676210  83.51393       2.674371  -0.7759094E-02 2.071368  
1 1 1 -15 1  40 o 93.75115 1.059639  87.78540       1.982905  84.53655       2.703160  91.57019       2.917605  -3.741028      2.119279  
1 1 1 -15 1  41 o 142.9923 1.538859  205.1006       4.400502  203.5414       6.173685  206.7109       6.274029  -1.100876      3.077718  
1 1 1 -15 1  42 o 25.26818 0.7227390 6.351360       0.3626828 7.503170       0.5340812 5.365650       0.4940737 4.228159       1.445478  
1 1 1 -15 1  43 o 107.9041 1.302232  115.8915       2.755886  112.5728       3.541058  120.9894       4.388814  -3.839081      2.604463  
1 1 1 -15 1  44 o 48.12577 0.7122924 23.17296       0.6854497 23.61423       0.9816752 22.75313       0.9575205 0.8935585      1.424585  
1 1 1 -15 1  45 f 33.47345 0.6786793 11.21249       0.4542970 10.97628       0.6374894 11.45623       0.6475754 -0.7164268     1.357359  
1 1 1 -15 1  46 o 59.40598 0.7840024 35.22940       0.9298078 33.60914       1.269135  37.10671       1.366108  -2.938137      1.568005  
1 1 1 -15 1  47 o 72.62943 0.8899793 52.82486       1.292385  51.88944       1.800923  53.81808       1.855726  -1.323639      1.779959  
1 1 1 -15 1  48 o 27.79848 0.7274960 7.736006       0.4043328 7.460653       0.5669063 8.021101       0.5768490 -1.007381      1.454992  
1 1 1 -15 1  49 o 5.919683 1.573153  0.1820704      0.2728114 -0.1024489     0.3809730 0.4815241      0.3908436 -2.357856      3.146307  
1 1 1 -15 1  50 o 67.16757 0.8542461 45.21759       1.147516  45.20461       1.629231  45.23036       1.616509  -0.2036285E-01 1.708492  
1 1 1 -15 1  51 o 35.42628 0.7207479 12.55749       0.5103624 13.09841       0.7363217 12.05735       0.7080321 1.466866       1.441496  
1 1 1 -15 1  52 o 26.26547 0.7864436 6.896210       0.4125114 7.424324       0.6001127 6.423150       0.5679718 1.902536       1.572887  
1 1 1 -15 1  53 o 73.85422 0.9220623 54.65664       1.360923  53.04488       1.880191  56.43035       1.972390  -2.280327      1.844125  
1 1 1 -15 1  54 o 48.84763 0.7718448 23.91183       0.7539315 23.44617       1.054985  24.39787       1.077823  -0.9715767     1.543690  
1 1 1 -15 1  55 o 8.782301 1.763494  0.7986792      0.3300533 0.9915351      0.4643470 0.6017519      0.4692228 1.844371       3.526989  
1 1 1 -15 1  56 o 32.41226 0.7905888 10.53760       0.5124729 10.39926       0.7221991 10.67792       0.7273203 -0.4291573     1.581178  
1 1 1 -15 1  57 o 37.54607 0.9679378 14.34811       0.6861437 13.59049       1.167922  14.74742       0.8478963 -1.594734      1.935876  
1 1 1 -15 1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 2  1  o 175.1818 1.842758  306.6906       6.449993  299.5642       8.888795  314.6160       9.373857  -4.291260      3.685516  
1 1 1 -15 2  2  o 200.6951 2.102625  401.8173       8.417683  419.3126       12.45445  387.1041       11.42133  8.012924       4.205251  
1 1 1 -15 2  3  o 121.9533 1.306868  148.5089       3.183056  153.3293       4.651968  144.2652       4.364786  3.714294       2.613736  
1 1 1 -15 2  4  o 162.8015 1.717066  264.5711       5.580434  274.2868       8.196612  256.1768       7.618871  5.557007       3.434132  
1 1 1 -15 2  5  o 118.1057 1.271349  139.3894       3.000797  142.7508       4.346820  136.3288       4.147712  2.717499       2.542699  
1 1 1 -15 2  6  f 423.4691 4.399609  1797.373       37.24887  1824.891       53.53446  1771.550       51.86111  6.261658       8.799218  
1 1 1 -15 2  7  o 306.8018 3.192421  941.3012       19.56472  967.8904       28.52520  917.6818       26.88497  8.156616       6.384841  
1 1 1 -15 2  8  o 408.0118 4.238470  1668.484       34.57840  1648.875       48.26593  1689.160       49.56233  -4.909393      8.476940  
1 1 1 -15 2  9  o 258.5409 2.696943  666.5843       13.89955  699.1623       20.68321  639.7555       18.76968  11.46278       5.393886  
1 1 1 -15 2  10 f 371.8662 3.863484  1385.390       28.72585  1367.842       40.05886  1403.965       41.21478  -4.834015      7.726969  
1 1 1 -15 2  11 o 45.83353 0.6185217 20.96188       0.5661768 20.17292       0.7758480 21.86068       0.8280928 -1.841022      1.237043  
1 1 1 -15 2  12 f 231.3378 2.790336  535.6359       12.90666  542.7974       18.51417  528.8651       18.00214  3.003540       5.580671  
1 1 1 -15 2  13 o 59.08343 0.7868712 33.43432       0.8869182 30.35959       1.080573  39.78227       1.552628  -7.971970      1.573742  
1 1 1 -15 2  14 o 247.3895 2.580951  612.6566       12.76942  615.8493       18.16249  609.5357       17.95665  1.272949       5.161902  
1 1 1 -15 2  15 o 171.8466 1.810745  295.4559       6.222940  293.5454       8.736732  297.4232       8.865822  -1.126846      3.621491  
1 1 1 -15 2  16 o 234.7916 2.453190  551.2953       11.50926  565.0153       16.70909  538.9095       15.87594  5.545990       4.906380  
1 1 1 -15 2  17 o 403.4882 4.201195  1631.620       33.86089  1674.089       49.35743  1593.862       46.53973  9.858643       8.402390  
1 1 1 -15 2  18 o 321.6979 3.349276  1037.230       21.54672  1045.972       30.74665  1028.795       30.20392  2.656097       6.698553  
1 1 1 -15 2  19 o 232.9744 2.960376  548.8206       13.23016  525.8347       21.84400  562.1376       16.62667  -7.912216      5.920752  
1 1 1 -15 2  20 o 176.7510 2.400130  313.6754       8.353585  307.8247       12.94184  317.8539       10.93710  -2.875748      4.800259  
1 1 1 -15 2  21 o 109.9956 1.690451  118.4895       3.656425  107.9574       4.683444  134.9291       5.851309  -12.24479      3.380902  
1 1 1 -15 2  22 o 167.1580 2.495427  279.0539       8.323812  269.3559       11.32543  290.4467       12.27514  -6.290176      4.990855  
1 1 1 -15 2  23 o 266.2727 3.935753  710.9470       20.94404  726.5015       30.32636  696.7630       28.95959  5.540192       7.871506  
1 1 1 -15 2  24 o 100.0115 1.343591  100.4947       2.553669  101.4563       3.161160  98.68846       4.332509  1.397362       2.687182  
1 1 1 -15 2  25 f 50.24290 0.6758517 25.22989       0.6788428 24.70487       0.9432793 25.79394       0.9777035 -1.083588      1.351703  
1 1 1 -15 2  26 o 256.4992 2.678744  659.1674       13.74142  662.1532       19.53184  656.2411       19.33626  1.147461       5.357488  
1 1 1 -15 2  27 o 197.2722 2.074052  388.9644       8.170832  377.8975       11.19509  401.5799       11.95268  -5.986343      4.148105  
1 1 1 -15 2  28 o 96.56358 1.071903  93.27311       2.070054  92.73291       2.911788  93.82513       2.943466  -0.5651703     2.143807  
1 1 1 -15 2  29 o 72.08980 0.8551978 51.96313       1.232769  51.06608       1.722260  52.90562       1.765337  -1.275444      1.710396  
1 1 1 -15 2  30 o 28.56602 0.6275572 8.083743       0.3565196 9.376791       0.5320763 7.030183       0.4802820 4.106932       1.255114  
1 1 1 -15 2  31 f 50.51380 0.6987047 25.51966       0.7058423 25.12972       0.9938951 25.91644       1.002585  -0.7786369     1.397409  
1 1 1 -15 2  32 o 152.1063 1.621470  231.3280       4.927466  238.0707       7.170541  225.2952       6.782610  4.189499       3.242940  
1 1 1 -15 2  33 o 40.88099 0.6496084 16.69951       0.5308554 17.25310       0.7658565 16.18757       0.7364903 1.302864       1.299217  
1 1 1 -15 2  34 o 44.95766 0.6666703 19.92916       0.5948330 22.68023       0.9124541 17.89592       0.7844285 5.319084       1.333341  
1 1 1 -15 2  35 o 88.59303 1.005361  78.52930       1.781190  77.75749       2.498076  79.32751       2.540423  -0.8850708     2.010721  
1 1 1 -15 2  36 o 89.46663 1.015008  79.98054       1.813999  82.58996       2.645042  77.66341       2.492512  2.748978       2.030015  
1 1 1 -15 2  37 o 166.2798 2.160462  279.2583       6.839464  282.9711       8.493893  272.4117       11.53416  3.384583       4.320923  
1 1 1 -15 2  38 o 189.1198 2.601945  357.6355       9.547795  350.3891       12.05854  369.8124       15.63169  -4.815765      5.203891  
1 1 1 -15 2  39 o 76.19304 1.279699  58.09771       1.948663  59.85495       2.822461  56.49715       2.693696  2.196732       2.559398  
1 1 1 -15 2  40 o 40.82169 0.9435093 16.68297       0.7702653 16.43503       1.087124  16.93292       1.091529  -0.6096497     1.887019  
1 1 1 -15 2  41 o 36.52238 0.9490925 13.35290       0.6930689 13.25978       0.9673468 13.45112       0.9934699 -0.2607422     1.898185  
1 1 1 -15 2  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 2  43 o 78.96410 1.325012  62.50052       2.092037  63.64405       3.000203  61.41830       2.918657  1.403313       2.650024  
1 1 1 -15 2  44 o 50.74522 0.7265792 25.77627       0.7373767 25.64225       1.045907  25.90871       1.039737  -0.2628326     1.453158  
1 1 1 -15 2  45 o 72.15868 0.8799472 52.02369       1.267823  54.25996       1.859129  50.07962       1.733412  2.888863       1.759894  
1 1 1 -15 2  46 o 28.76185 0.6972178 8.268689       0.4005411 7.694030       0.5558003 8.889607       0.5777379 -2.077251      1.394436  
1 1 1 -15 2  47 o 30.87773 0.6997600 9.519821       0.4313749 10.34806       0.6269683 8.775290       0.5944428 2.544844       1.399520  
1 1 1 -15 2  48 o 32.78606 0.7071051 10.63307       0.4597058 8.890703       0.6164933 12.81528       0.6899319 -5.980236      1.414210  
1 1 1 -15 2  49 o 73.51118 0.9032338 54.14398       1.327568  53.15717       1.850291  55.19096       1.905871  -1.378075      1.806468  
1 1 1 -15 2  50 o 14.85532 1.090847  2.221743       0.3230322 2.041583       0.4609765 2.395573       0.4528061 -1.192447      2.181694  
1 1 1 -15 2  51 o 57.87074 0.8045238 33.39953       0.9286045 35.84523       1.377029  31.35975       1.257575  3.863712       1.609048  
1 1 1 -15 2  52 o 55.08057 0.7909572 30.28308       0.8694423 28.40550       1.183682  32.48299       1.281261  -3.691128      1.581914  
1 1 1 -15 2  53 o 55.39429 0.7945259 30.71820       0.8794359 31.72705       1.277567  29.80964       1.212410  1.723537       1.589052  
1 1 1 -15 2  54 o 67.07681 0.8750282 45.12390       1.173730  44.32862       1.644510  45.94967       1.675742  -1.204361      1.750056  
1 1 1 -15 2  55 f 10.41051 1.665337  1.137818       0.3421178 1.467455       0.4942054 0.8344846      0.4740772 2.918372       3.330674  
1 1 1 -15 2  56 o 38.28928 0.7696377 14.70125       0.5893238 14.45861       0.8273067 14.95120       0.8396907 -0.6415710     1.539275  
1 1 1 -15 2  57 o 24.61012 1.263219  6.175599       0.6103469 4.823138       0.8618985 7.536012       0.8644287 -5.511148      2.526439  
1 1 1 -15 2  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 3  1  o 50.90046 0.6517818 25.53876       0.6576234 28.71252       1.016204  23.25194       0.8626000 5.363430       1.303564  
1 1 1 -15 3  2  o 198.3944 2.078889  393.4713       8.241872  384.8615       11.37978  402.9702       11.95286  -4.557373      4.157778  
1 1 1 -15 3  3  o 64.55087 0.7633247 41.20287       0.9776346 38.17630       1.287753  45.32038       1.502015  -5.532818      1.526649  
1 1 1 -15 3  4  o 241.3698 2.518526  582.6397       12.14897  595.5187       17.58962  570.8909       16.80003  5.091278       5.037051  
1 1 1 -15 3  5  o 257.9065 2.688506  665.8441       13.86738  663.3781       19.53605  668.3485       19.68769  -0.9615173     5.377012  
1 1 1 -15 3  6  o 19.22525 0.5730559 3.689982       0.2198379 4.057145       0.3175901 3.352215       0.3046115 1.833307       1.146112  
1 1 1 -15 3  7  o 174.9469 1.844672  306.2144       6.454325  306.5528       9.150873  305.8795       9.104888  0.1920013      3.689343  
1 1 1 -15 3  8  o 201.0904 2.108816  404.4273       8.477605  397.8914       11.78358  411.4402       12.20586  -3.364212      4.217632  
1 1 1 -15 3  9  o 468.4244 4.866831  2201.742       45.59175  2186.644       64.02898  2217.271       64.93349  -3.246063      9.733662  
1 1 1 -15 3  10 o 299.1812 3.114599  896.3660       18.63584  892.2981       26.21552  900.5217       26.49684  -1.369690      6.229198  
1 1 1 -15 3  11 o 263.0138 2.741292  691.5041       14.40093  712.2482       21.02149  673.1598       19.76822  7.412109       5.482584  
1 1 1 -15 3  12 o 155.8878 1.649246  242.9258       5.138525  238.2371       7.113436  248.0425       7.430898  -3.142090      3.298492  
1 1 1 -15 3  13 f 227.3369 2.747550  517.4505       12.49214  515.3312       17.59959  519.6024       17.73429  -0.9372101     5.495099  
1 1 1 -15 3  14 o 100.3358 1.096904  100.6929       2.201160  100.8905       3.119434  100.4969       3.106426  0.1960068      2.193807  
1 1 1 -15 3  15 o 126.8961 1.652600  162.4671       4.014614  156.3236       6.667643  165.9609       5.028211  -3.814545      3.305201  
1 1 1 -15 3  16 o 168.3151 2.174484  283.0848       6.886429  284.9607       11.99744  282.1631       8.409763  0.7781830      4.348967  
1 1 1 -15 3  17 o 134.8178 2.029644  181.4602       5.461398  188.6803       8.038872  175.2713       7.442699  4.964096       4.059289  
1 1 1 -15 3  18 o 181.7842 2.702870  330.6365       9.817976  338.8781       14.25052  323.1902       13.54570  4.300110       5.405739  
1 1 1 -15 3  19 o 66.92928 1.104609  44.72401       1.476705  46.40080       2.156117  43.24255       2.026644  2.358238       2.209218  
1 1 1 -15 3  20 o 86.34656 1.171290  75.46993       1.949429  78.11465       2.472824  71.12763       3.168577  4.052330       2.342580  
1 1 1 -15 3  21 o 265.2290 2.766472  704.0707       14.66455  690.1905       20.28709  719.2598       21.22211  -5.459900      5.532944  
1 1 1 -15 3  22 o 114.3492 1.238256  129.2813       2.805237  141.5776       4.339433  120.4535       3.676809  9.230179       2.476512  
1 1 1 -15 3  23 o 123.7498 1.332387  153.2032       3.297618  153.5779       4.675906  152.8324       4.651264  0.3009720      2.664773  
1 1 1 -15 3  24 o 143.2432 1.525877  203.8934       4.346368  218.0250       6.582733  192.9711       5.787210  8.734390       3.051754  
1 1 1 -15 3  25 o 246.3626 2.574604  607.9706       12.68524  610.8951       18.03413  605.1068       17.84661  1.170303       5.149208  
1 1 1 -15 3  26 o 78.82228 0.9980691 60.45752       1.510734  68.07330       2.581385  56.49023       1.863128  7.340576       1.996138  
1 1 1 -15 3  27 o 101.8317 1.122233  103.7182       2.285300  104.8029       3.262937  102.6739       3.201736  1.044601       2.244466  
1 1 1 -15 3  28 o 108.9334 1.191021  118.6314       2.593356  121.1464       3.744678  116.3134       3.595017  2.216347       2.382042  
1 1 1 -15 3  29 f 157.2396 1.669626  247.2452       5.246589  242.0103       7.251314  252.9966       7.600600  -3.486603      3.339252  
1 1 1 -15 3  30 o 28.42355 0.6431928 8.036137       0.3646140 8.851547       0.5381228 7.344049       0.4957622 2.651489       1.286386  
1 1 1 -15 3  31 o 247.2043 2.587586  612.0219       12.77835  596.7401       17.57172  629.1744       18.61609  -6.519363      5.175172  
1 1 1 -15 3  32 o 121.9305 1.320662  148.7893       3.220563  148.9847       4.562653  148.5953       4.546519  0.1593323      2.641324  
1 1 1 -15 3  33 o 89.67256 1.014071  79.87912       1.808674  85.76965       2.736691  75.31088       2.410038  5.825478       2.028141  
1 1 1 -15 3  34 o 159.0133 1.692638  253.2930       5.382842  254.3143       7.651367  252.2921       7.574194  0.6330109      3.385277  
1 1 1 -15 3  35 o 146.8663 1.570540  215.5972       4.604782  223.4928       6.761137  208.7664       6.288780  4.995300       3.141080  
1 1 1 -15 3  36 o 77.19409 0.9038426 59.61834       1.395215  60.22435       1.994050  59.03712       1.952859  0.7679062      1.807685  
1 1 1 -15 3  37 o 51.59399 0.7067958 26.62604       0.7292030 26.92783       1.042958  26.33743       1.019926  0.5716248      1.413592  
1 1 1 -15 3  38 o 61.39807 0.7771022 37.42687       0.9494563 40.60740       1.433179  34.93918       1.267501  4.611397       1.554204  
1 1 1 -15 3  39 o 64.63652 0.8038732 41.81111       1.039189  41.71535       1.467987  41.90730       1.471289  -0.1483688     1.607746  
1 1 1 -15 3  40 o 54.69154 0.7346427 29.69063       0.7996842 32.40027       1.205702  27.56246       1.068530  4.418213       1.469285  
1 1 1 -15 3  41 o 77.11926 0.9128457 59.52954       1.407716  60.22857       2.013596  58.86128       1.968781  0.8844604      1.825691  
1 1 1 -15 3  42 o 47.62080 0.8286645 22.57230       0.7869927 24.73537       1.164521  20.75389       1.067721  4.176105       1.657329  
1 1 1 -15 3  43 o 108.6221 1.712226  118.3787       3.715972  122.0872       5.404283  115.0529       5.117771  3.210060       3.424452  
1 1 1 -15 3  44 o 55.67820 1.072331  30.98755       1.192494  32.67499       1.742155  29.49993       1.635752  2.843735       2.144663  
1 1 1 -15 3  45 o 77.82054 1.320439  60.36127       2.046109  65.05608       3.074712  56.62972       2.741192  5.383110       2.640879  
1 1 1 -15 3  46 f 87.48403 1.439609  76.88414       2.518838  76.90905       3.555920  76.85905       3.568464  0.2998352E-01  2.879217  
1 1 1 -15 3  47 f 23.62647 1.077359  5.591397       0.5087868 5.363828       0.7063574 5.836774       0.7334750 -0.9983788     2.154717  
1 1 1 -15 3  48 o 58.13713 0.9642404 34.16755       1.068346  32.93975       1.792482  34.84401       1.330487  -1.680340      1.928481  
1 1 1 -15 3  49 o 54.63187 0.9431710 29.88491       0.9707835 30.04562       1.686048  29.80521       1.187345  0.1713524      1.886342  
1 1 1 -15 3  50 o 45.91129 0.7359602 21.09120       0.6753360 21.77168       0.9769209 20.46838       0.9346215 1.415855       1.471920  
1 1 1 -15 3  51 o 34.36478 0.7362686 11.71958       0.5034935 10.35351       0.6771560 13.40860       0.7529551 -4.438198      1.472537  
1 1 1 -15 3  52 o 69.44849 0.8871195 48.27647       1.230745  46.36766       1.691317  50.42488       1.794320  -2.908768      1.774239  
1 1 1 -15 3  53 o 41.94237 0.7378936 17.58462       0.6180924 16.39214       0.8516679 18.91166       0.8984352 -2.998737      1.475787  
1 1 1 -15 3  54 o 20.24355 0.9492399 4.086376       0.3804817 3.338995       0.5172021 4.967937       0.5617144 -4.017214      1.898480  
1 1 1 -15 3  55 o 40.05633 0.7634590 16.08588       0.6115150 16.20217       0.8744937 15.97461       0.8554464 0.2816772      1.526918  
1 1 1 -15 3  56 o 36.48418 0.7863603 13.34940       0.5737219 13.50803       0.8193365 13.19680       0.8036226 0.4243431      1.572721  
1 1 1 -15 3  57 o 23.41338 1.290008  5.407300       0.5973089 6.596316       0.9242451 4.554523       0.7827282 4.327438       2.580016  
1 1 1 -15 3  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 4  1  o 151.1323 1.600408  228.4184       4.836026  225.0617       6.740459  231.9792       6.942355  -2.286682      3.200816  
1 1 1 -15 4  2  f 290.4589 3.023099  844.4620       17.55363  830.9363       24.38616  859.0060       25.28753  -4.816345      6.046198  
1 1 1 -15 4  3  o 117.2272 1.259326  137.3659       2.950955  134.8491       4.093358  140.0893       4.258076  -2.233887      2.518651  
1 1 1 -15 4  4  o 57.38459 0.7006587 32.71766       0.8006294 30.75473       1.072868  35.18464       1.202754  -3.859348      1.401317  
1 1 1 -15 4  5  o 53.28640 0.6677932 27.86754       0.7033491 31.87931       1.102577  25.11484       0.9133126 6.346588       1.335586  
1 1 1 -15 4  6  o 231.7415 2.419901  537.5200       11.21572  536.5226       15.82168  538.5274       15.90148  -0.4314728     4.839802  
1 1 1 -15 4  7  o 262.2311 2.732984  687.9075       14.32391  674.6715       19.82882  702.3519       20.71433  -5.264679      5.465968  
1 1 1 -15 4  8  o 153.1639 1.621632  234.6849       4.967455  234.1810       7.005619  235.1943       7.044628  -0.3304291     3.243264  
1 1 1 -15 4  9  o 446.9824 4.644134  2004.298       41.50999  1984.497       58.07243  2024.984       59.35660  -4.495911      9.288268  
1 1 1 -15 4  10 o 274.5555 2.861982  754.7197       15.71417  760.2166       22.39624  749.3895       22.05408  1.966217       5.723965  
1 1 1 -15 4  11 o 117.2681 1.263007  136.8879       2.950647  130.4920       3.967653  144.8022       4.413565  -6.098236      2.526014  
1 1 1 -15 4  12 o 213.9653 2.754304  455.1348       10.98823  467.3947       19.57532  449.4946       13.27737  4.080750       5.508607  
1 1 1 -15 4  13 o 126.7728 1.915026  160.7200       4.853242  157.7766       6.741252  163.8871       6.992693  -2.407013      3.830051  
1 1 1 -15 4  14 f 213.5758 3.161641  456.1628       13.48393  471.0931       19.73915  443.1005       18.46305  6.526947       6.323281  
1 1 1 -15 4  15 o 222.0386 3.284996  494.0518       14.58792  494.3327       20.63072  493.7710       20.63014  0.1264801      6.569992  
1 1 1 -15 4  16 o 155.8327 2.047447  235.9857       5.771778  227.0681       6.775274  259.5800       11.02066  -10.36877      4.094894  
1 1 1 -15 4  17 o 48.43776 0.6848792 23.38977       0.6559783 22.98183       0.8615824 23.95235       1.011806  -1.001030      1.369758  
1 1 1 -15 4  18 o 103.8247 1.133299  107.8272       2.353289  107.7650       3.326986  107.8896       3.329120  -0.5998993E-01 2.266598  
1 1 1 -15 4  19 o 152.7177 1.618219  233.3539       4.942422  234.6272       7.026785  232.1072       6.953079  0.8240814      3.236437  
1 1 1 -15 4  20 o 71.93958 0.8348954 51.46046       1.196277  48.64531       1.605579  54.97344       1.793571  -4.396996      1.669791  
1 1 1 -15 4  21 o 267.9788 2.795073  718.6204       14.96701  702.7681       20.65101  736.1608       21.72272  -6.207062      5.590146  
1 1 1 -15 4  22 o 268.1399 2.797458  719.4630       14.98725  702.7047       20.65122  738.1109       21.78451  -6.576111      5.594916  
1 1 1 -15 4  23 o 117.8593 1.273343  138.9342       3.000954  137.5024       4.196112  140.4332       4.293545  -1.242279      2.546686  
1 1 1 -15 4  24 o 117.3516 1.270856  137.7650       2.982641  137.0483       4.197470  138.4959       4.239019  -0.6163025     2.541712  
1 1 1 -15 4  25 o 170.0201 1.795625  288.9839       6.099881  296.5267       8.864350  282.1996       8.406886  4.205551       3.591249  
1 1 1 -15 4  26 o 116.2548 1.261361  135.2134       2.932778  135.2934       4.152859  135.1338       4.142312  0.6850433E-01  2.522722  
1 1 1 -15 4  27 o 221.7297 2.324427  491.8410       10.29702  505.0861       14.97946  479.9755       14.17795  5.642349       4.648853  
1 1 1 -15 4  28 o 61.80698 0.7666708 38.13327       0.9463976 39.58080       1.383418  36.85990       1.297524  2.200378       1.533342  
1 1 1 -15 4  29 o 107.4347 1.177866  114.9558       2.522071  109.6025       3.399858  121.5065       3.760901  -5.534882      2.355731  
1 1 1 -15 4  30 o 44.24811 0.6569428 19.18345       0.5749032 22.41876       0.8981329 16.93761       0.7482955 6.192280       1.313886  
1 1 1 -15 4  31 o 76.26680 0.8931094 58.11316       1.361098  56.51378       1.877636  59.88432       1.975888  -2.208328      1.786219  
1 1 1 -15 4  32 o 116.6865 1.270038  136.2054       2.962981  134.1349       4.127825  138.4062       4.255675  -1.827530      2.540075  
1 1 1 -15 4  33 o 53.27082 0.7124544 28.34470       0.7582249 29.22746       1.104069  27.55674       1.043110  1.567268       1.424909  
1 1 1 -15 4  34 o 59.90847 0.7611749 35.61385       0.9076539 33.03872       1.213193  38.88775       1.367924  -4.878952      1.522350  
1 1 1 -15 4  35 o 126.5425 1.368754  160.2860       3.462967  162.7248       4.974667  157.9930       4.823579  1.864281       2.737507  
1 1 1 -15 4  36 o 113.2915 1.240940  128.2070       2.806190  133.2917       4.127674  123.8372       3.826519  4.161171       2.481881  
1 1 1 -15 4  37 o 70.78762 0.8501628 49.47365       1.192732  45.45027       1.563933  55.06716       1.844015  -6.784760      1.700326  
1 1 1 -15 4  38 o 103.5872 1.149137  107.4256       2.380280  106.1197       3.327755  108.7938       3.406060  -1.287361      2.298275  
1 1 1 -15 4  39 o 19.75814 0.7761133 3.854817       0.2999704 5.136447       0.4518620 2.844948       0.4011038 5.797169       1.552227  
1 1 1 -15 4  40 o 26.32565 0.6820857 6.932033       0.3590213 7.036702       0.5153299 6.833319       0.5004621 0.3858109      1.364171  
1 1 1 -15 4  41 o 77.76880 0.9192247 60.45353       1.427990  62.48557       2.082839  58.65120       1.961576  2.459572       1.838449  
1 1 1 -15 4  42 o 12.87769 1.062744  1.664325       0.2731610 1.728156       0.3793681 1.595600       0.3936433 0.5154953      2.125488  
1 1 1 -15 4  43 o 88.30766 1.444013  78.21577       2.549540  79.64678       3.662246  76.86998       3.551491  1.562859       2.888026  
1 1 1 -15 4  44 o 91.54561 1.046924  83.92256       1.915834  82.15767       2.657899  85.83118       2.764013  -1.998764      2.093848  
1 1 1 -15 4  45 o 22.76528 0.7493892 5.188409       0.3411395 5.319889       0.4839031 5.058503       0.4809982 0.5739346      1.498778  
1 1 1 -15 4  46 o 41.48209 0.6978688 16.88172       0.5730934 19.99753       0.8885769 14.66252       0.7499069 6.422699       1.395738  
1 1 1 -15 4  47 o 49.29500 0.7336439 24.32817       0.7231824 24.55795       1.033848  24.10801       1.011971  0.4549599      1.467288  
1 1 1 -15 4  48 o 108.9089 1.315736  119.5623       2.854616  124.3446       3.917844  114.1504       4.167815  4.713058       2.631473  
1 1 1 -15 4  49 o 37.09351 0.8925266 13.91234       0.6255004 14.16857       0.7713986 13.42043       1.068806  1.036083       1.785053  
1 1 1 -15 4  50 o 28.97877 1.091055  8.425935       0.6320564 8.568409       0.9105242 8.293432       0.8780836 0.4703579      2.182110  
1 1 1 -15 4  51 o 35.12172 1.054948  12.37761       0.7407187 12.16316       1.029621  12.60765       1.066417  -0.6278763     2.109896  
1 1 1 -15 4  52 o 48.92050 1.092790  23.93735       1.066732  22.48313       1.450123  25.65226       1.574744  -3.220627      2.185580  
1 1 1 -15 4  53 o 59.81811 1.183866  35.82118       1.412256  33.93361       1.910667  38.09430       2.096740  -3.446465      2.367732  
1 1 1 -15 4  54 o 9.853333 2.142160  0.9681557      0.4733650 0.6793138      0.6561797 1.281584       0.6835366 -2.366915      4.284319  
1 1 1 -15 4  55 o 46.94913 0.9613928 21.53407       0.8393233 23.77327       1.526999  20.56469       1.004706  3.333645       1.922786  
1 1 1 -15 4  56 o 55.16789 0.9873935 30.77315       1.044124  29.90400       1.733074  31.26837       1.308193  -1.309563      1.974787  
1 1 1 -15 4  57 o 43.00695 1.105253  18.58680       0.9469073 18.90047       1.408168  18.32788       1.279341  0.6396294      2.210506  
1 1 1 -15 4  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 5  1  o 183.5308 1.928081  336.4157       7.065711  326.4232       9.667660  347.8737       10.35228  -5.835373      3.856162  
1 1 1 -15 5  2  o 141.5229 1.501955  200.3247       4.250462  198.2685       5.944200  202.4762       6.080230  -1.485291      3.003910  
1 1 1 -15 5  3  o 65.60596 0.7678704 42.71883       1.002238  46.16169       1.514871  40.03872       1.336572  4.665638       1.535741  
1 1 1 -15 5  4  o 115.9833 1.251537  133.8022       2.890053  127.1194       3.872291  142.2056       4.342268  -6.500130      2.503074  
1 1 1 -15 5  5  o 131.4304 1.401539  172.7729       3.683693  171.3315       5.163867  174.2665       5.256424  -1.115768      2.803079  
1 1 1 -15 5  6  o 48.94574 0.6351891 23.18546       0.6095631 20.24848       0.7740548 27.98035       0.9890319 -7.897614      1.270378  
1 1 1 -15 5  7  o 143.6141 1.524719  206.2265       4.377608  209.7366       6.300675  202.9508       6.086618  2.360626       3.049438  
1 1 1 -15 5  8  o 272.8763 3.524920  729.7224       17.54158  786.1100       32.87824  707.2841       20.74012  14.19437       7.049839  
1 1 1 -15 5  9  o 110.7833 1.542926  122.6447       3.349636  123.4473       5.304190  122.1123       4.320050  0.5934448      3.085852  
1 1 1 -15 5  10 o 181.3878 2.693560  329.0531       9.761770  337.3943       14.18952  321.5580       13.45056  4.353149       5.387119  
1 1 1 -15 5  11 f 218.3066 3.238657  473.7617       14.05292  446.2945       18.66636  509.6969       21.35069  -14.46667      6.477315  
1 1 1 -15 5  12 o 257.0056 3.791937  662.2557       19.49063  664.5167       27.66303  660.0269       27.46587  0.8686218      7.583873  
1 1 1 -15 5  13 o 373.7734 4.788055  1395.322       33.42852  1381.305       40.48644  1425.347       59.25461  -5.289398      9.576110  
1 1 1 -15 5  14 o 39.70518 0.8603822 15.74096       0.6826478 15.08985       0.9424070 16.45975       0.9901838 -1.724796      1.720764  
1 1 1 -15 5  15 o 111.6850 1.208816  124.7311       2.699350  123.0942       3.763511  126.4654       3.873791  -1.508263      2.417633  
1 1 1 -15 5  16 o 289.8622 3.020836  841.9042       17.51252  841.5939       24.75965  842.2148       24.77324  -0.1067810     6.041672  
1 1 1 -15 5  17 o 157.3008 1.665285  246.1347       5.213072  261.6734       7.854407  233.9001       6.969466  8.816177       3.330569  
1 1 1 -15 5  18 o 94.28836 1.040999  88.92097       1.963020  89.38273       2.789664  88.46805       2.762789  0.4848099      2.081999  
1 1 1 -15 5  19 o 182.9317 1.925658  334.3333       7.034866  345.1135       10.28908  324.8700       9.640199  5.523285       3.851317  
1 1 1 -15 5  20 o 55.51589 0.6966463 30.61244       0.7700834 33.03753       1.157419  28.68616       1.031543  3.918339       1.393293  
1 1 1 -15 5  21 o 117.6130 1.270496  137.8351       2.979131  131.9445       4.025526  144.9678       4.429667  -5.532303      2.540992  
1 1 1 -15 5  22 o 125.1455 1.347506  155.7672       3.356729  147.8661       4.492188  165.7566       5.051074  -7.141373      2.695011  
1 1 1 -15 5  23 o 95.37177 1.057624  90.97499       2.017194  91.64901       2.874331  90.32085       2.831634  0.6959000      2.115248  
1 1 1 -15 5  24 o 146.6586 1.560383  214.3106       4.560771  205.0047       6.148301  225.6962       6.800745  -7.044785      3.120767  
1 1 1 -15 5  25 o 53.23709 0.7005338 28.25307       0.7441833 29.67417       1.098546  27.04782       1.011680  2.466049       1.401068  
1 1 1 -15 5  26 o 21.14756 0.6766686 4.489937       0.2801538 3.356508       0.3861839 5.749046       0.4070323 -5.656624      1.353337  
1 1 1 -15 5  27 o 74.22519 0.8666025 55.09334       1.286278  54.36352       1.799891  55.85513       1.838878  -1.004410      1.733205  
1 1 1 -15 5  28 o 63.26866 0.7785823 39.66745       0.9794306 36.77953       1.301885  43.43343       1.486687  -5.256737      1.557165  
1 1 1 -15 5  29 o 48.02129 0.6711851 22.92698       0.6422290 24.64253       0.9602070 21.53830       0.8639047 3.231285       1.342370  
1 1 1 -15 5  30 o 113.2414 1.234669  128.1222       2.792835  132.0878       4.073645  124.6051       3.836357  3.299507       2.469338  
1 1 1 -15 5  31 o 107.7021 1.182317  115.5072       2.537082  109.9982       3.413264  122.3087       3.792593  -5.707802      2.364635  
1 1 1 -15 5  32 f 50.39650 0.6934667 25.40136       0.6988187 25.54391       0.9997833 25.26518       0.9771627 0.2762527      1.386933  
1 1 1 -15 5  33 o 34.24447 0.6282858 11.69095       0.4293202 10.64883       0.5901189 12.86272       0.6257474 -3.231995      1.256572  
1 1 1 -15 5  34 o 67.21100 0.8171560 45.18895       1.098325  45.50239       1.566544  44.88590       1.540320  0.4581070      1.634312  
1 1 1 -15 5  35 o 172.2332 1.826718  297.0396       6.285625  289.5898       8.651256  305.3694       9.147961  -4.555435      3.653436  
1 1 1 -15 5  36 o 89.60307 1.016611  79.92378       1.814095  84.96149       2.720974  75.89271       2.433984  5.051094       2.033223  
1 1 1 -15 5  37 o 132.2163 1.427337  174.9963       3.771611  171.1359       5.215542  179.2280       5.460621  -3.048141      2.854674  
1 1 1 -15 5  38 o 64.22442 0.8012934 40.87732       1.023110  37.76395       1.359123  44.94863       1.554215  -5.587082      1.602587  
1 1 1 -15 5  39 o 90.49670 1.029245  81.99736       1.862660  82.61756       2.657634  81.39857       2.611374  0.6713562      2.058489  
1 1 1 -15 5  40 o 111.0711 1.224989  123.2345       2.714739  118.3821       3.688673  128.9689       4.009846  -4.746948      2.449978  
1 1 1 -15 5  41 o 82.20483 1.348816  67.75775       2.217562  67.33571       3.130915  68.18259       3.141324  -0.5143738     2.697632  
1 1 1 -15 5  42 o 33.45528 0.6668039 11.20033       0.4460805 10.91670       0.6288572 11.48758       0.6328682 -0.8530617     1.333608  
1 1 1 -15 5  43 o 36.56159 0.9657630 13.37948       0.7057899 12.75790       0.9848098 14.03589       1.012022  -1.746094      1.931526  
1 1 1 -15 5  44 o 78.59773 0.9352235 61.76899       1.468094  63.96955       2.145626  59.83186       2.013100  2.623482       1.870447  
1 1 1 -15 5  45 f 17.17114 0.9076923 2.948944       0.3093663 3.468510       0.4490993 2.479751       0.4267738 2.877664       1.815385  
1 1 1 -15 5  46 o 72.15105 0.8842029 52.14875       1.275827  52.49545       1.817684  51.81208       1.791191  0.4716187      1.768406  
1 1 1 -15 5  47 o 25.77519 0.7595661 6.540488       0.3876521 7.984832       0.5900124 5.443404       0.5142161 4.924751       1.519132  
1 1 1 -15 5  48 o 64.22722 0.8331041 41.27504       1.069137  42.66773       1.554025  40.02347       1.473187  2.051567       1.666208  
1 1 1 -15 5  49 o 79.35091 0.9547161 63.13933       1.515127  62.75578       2.135506  63.52811       2.149994  -0.4851608     1.909432  
1 1 1 -15 5  50 o 21.13099 0.8565729 4.453005       0.3606159 5.042204       0.5296276 3.943760       0.4923826 2.595356       1.713146  
1 1 1 -15 5  51 o 40.77248 0.7323283 16.49326       0.5940825 18.36984       0.8970744 15.02736       0.7928628 4.089046       1.464657  
1 1 1 -15 5  52 f 41.18660 0.7438334 17.00126       0.6125669 16.91427       0.8748627 17.08494       0.8579847 -0.2088928     1.487667  
1 1 1 -15 5  53 o 10.16982 1.548607  1.059547       0.3161762 1.532171       0.4639135 0.6495891      0.4320648 4.327227       3.097214  
1 1 1 -15 5  54 o 23.97440 0.8759476 5.759500       0.4193206 5.312388       0.5827883 6.239411       0.6037865 -1.930574      1.751895  
1 1 1 -15 5  55 o 51.42562 0.8696679 26.63579       0.8853312 27.23335       1.178667  25.86219       1.341095  1.357418       1.739336  
1 1 1 -15 5  56 o 26.46647 1.237481  6.795170       0.6216728 6.276906       0.7549186 7.887154       1.095803  -2.967646      2.474963  
1 1 1 -15 5  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 6  1  o 68.70865 1.166683  47.20666       1.602771  46.62283       2.235206  47.82454       2.299482  -0.8739548     2.333365  
1 1 1 -15 6  2  o 148.8797 2.240256  221.5204       6.661811  215.4710       9.144561  228.3617       9.724621  -4.320221      4.480512  
1 1 1 -15 6  3  o 256.5561 3.285982  658.3616       15.84079  663.0865       27.67106  656.0583       19.31976  1.187241       6.571964  
1 1 1 -15 6  4  o 67.09292 0.7822998 44.89303       1.047691  46.98590       1.541347  43.09563       1.428406  2.898590       1.564600  
1 1 1 -15 6  5  o 219.1890 2.811832  479.4569       11.56279  485.9937       20.29266  476.3141       14.07039  2.095291       5.623664  
1 1 1 -15 6  6  o 211.3343 3.124695  447.1118       13.19900  455.8825       19.06879  439.0445       18.28809  3.967850       6.249389  
1 1 1 -15 6  7  o 226.8475 3.350583  515.6602       15.20138  516.2833       21.52702  515.0403       21.46910  0.2727051      6.701165  
1 1 1 -15 6  8  o 265.8270 3.919390  708.6044       20.83624  712.8944       29.66882  704.4291       29.26903  1.581940       7.838780  
1 1 1 -15 6  9  o 152.3073 1.981835  229.8171       5.613227  225.9317       6.759654  238.4478       10.07462  -4.065659      3.963669  
1 1 1 -15 6  10 o 218.5236 2.289975  477.9425       10.00727  482.4330       14.27524  473.6033       14.03271  2.016541       4.579949  
1 1 1 -15 6  11 o 270.4996 2.819199  732.4929       15.24534  721.2505       21.19379  744.5478       21.94624  -4.291504      5.638398  
1 1 1 -15 6  12 o 128.7946 1.378876  165.7397       3.548246  170.3013       5.159240  161.6456       4.887716  3.357536       2.757751  
1 1 1 -15 6  13 o 267.0334 2.784901  713.8176       14.86559  701.6780       20.63151  726.9246       21.43791  -4.710327      5.569801  
1 1 1 -15 6  14 o 171.4851 1.808420  294.2797       6.202285  293.3997       8.748493  295.1689       8.794399  -0.5151825     3.616840  
1 1 1 -15 6  15 f 191.5552 2.012044  367.2048       7.707203  363.6598       10.78854  370.8997       11.01422  -1.886124      4.024088  
1 1 1 -15 6  16 f 367.9852 3.828979  1357.934       28.16692  1381.313       40.58339  1336.205       39.12473  6.083893       7.657959  
1 1 1 -15 6  17 o 216.7959 2.270276  470.1178       9.835890  460.3859       13.58990  480.8242       14.25395  -4.701736      4.540552  
1 1 1 -15 6  18 o 167.0674 1.763430  279.2928       5.891959  277.9610       8.284978  280.6555       8.380824  -0.8050995     3.526861  
1 1 1 -15 6  19 o 190.1625 1.998257  361.8630       7.598541  365.7421       10.86853  358.1541       10.62745  1.991348       3.996515  
1 1 1 -15 6  20 o 113.5954 1.231199  129.0508       2.796547  130.5931       4.005844  127.5844       3.905879  1.323288       2.462399  
1 1 1 -15 6  21 o 91.40109 1.017842  83.36751       1.857211  86.64507       2.728100  80.53648       2.535454  3.339935       2.035683  
1 1 1 -15 6  22 o 170.8222 1.804432  291.9639       6.163350  295.6578       8.829793  288.4540       8.607061  2.104919       3.608864  
1 1 1 -15 6  23 o 179.9748 1.897117  323.7812       6.820833  315.6751       9.381128  332.8725       9.934902  -4.767929      3.794234  
1 1 1 -15 6  24 o 160.9642 1.704706  259.3043       5.487931  259.4025       7.763220  259.2061       7.758994  0.6094360E-01  3.409411  
1 1 1 -15 6  25 o 160.8706 1.706432  258.7466       5.485713  252.7890       7.574047  265.3202       7.955976  -3.887970      3.412863  
1 1 1 -15 6  26 o 168.7876 1.784506  285.1441       6.023510  287.3500       8.587545  283.0078       8.451155  1.283600       3.569011  
1 1 1 -15 6  27 o 112.5200 1.226127  126.3564       2.753790  131.4286       4.051053  121.9992       3.754704  4.185883       2.452254  
1 1 1 -15 6  28 o 294.4863 3.073823  869.9634       18.10050  860.8441       25.30315  879.5204       25.90334  -3.147644      6.147647  
1 1 1 -15 6  29 o 98.55717 1.093979  96.99027       2.153040  100.4848       3.152588  93.93567       2.947469  3.319275       2.187959  
1 1 1 -15 6  30 o 198.5840 2.090115  394.3681       8.287877  382.5287       11.34132  407.9363       12.14118  -6.370621      4.180229  
1 1 1 -15 6  31 f 160.4308 1.703749  257.7278       5.466374  259.1372       7.779295  256.3532       7.682848  0.8648376      3.407497  
1 1 1 -15 6  32 o 88.67999 1.004438  78.65154       1.780985  77.20667       2.483422  80.18152       2.555512  -1.675827      2.008877  
1 1 1 -15 6  33 o 49.68593 0.6889009 24.64161       0.6838185 23.51267       0.9409265 25.90533       0.9955111 -2.406921      1.377802  
1 1 1 -15 6  34 o 65.13168 0.7985419 42.38929       1.039445  41.12027       1.436703  43.78316       1.505718  -2.042801      1.597084  
1 1 1 -15 6  35 o 126.0059 1.364727  158.8378       3.436031  154.8462       4.736771  163.2709       4.991818  -3.332306      2.729455  
1 1 1 -15 6  36 o 127.4652 1.379283  162.7545       3.516015  161.6228       4.940778  163.9155       5.004629  -0.8963928     2.758566  
1 1 1 -15 6  37 o 76.54262 0.9007459 57.99057       1.367852  63.63114       2.101982  53.84753       1.801471  6.380989       1.801492  
1 1 1 -15 6  38 o 70.49960 0.8510403 49.73141       1.199758  48.93601       1.678003  50.56330       1.716066  -1.152702      1.702081  
1 1 1 -15 6  39 o 53.70380 0.7328999 28.52799       0.7822636 25.89186       1.038107  31.99168       1.189949  -5.674015      1.465800  
1 1 1 -15 6  40 o 46.94556 0.7006836 22.04614       0.6577144 21.37070       0.9212372 22.74836       0.9393237 -1.466675      1.401367  
1 1 1 -15 6  41 o 54.17815 0.7387459 29.19454       0.7977654 27.16295       1.075663  31.67803       1.189297  -4.162361      1.477492  
1 1 1 -15 6  42 o 60.64309 0.7864894 36.78366       0.9533827 37.65901       1.376244  35.97600       1.321967  1.385185       1.572979  
1 1 1 -15 6  43 o 50.34075 0.7903407 25.22341       0.7857679 24.47601       1.026015  26.28359       1.221986  -1.785061      1.580681  
1 1 1 -15 6  44 o 100.4133 1.131565  100.8006       2.267720  96.95689       3.088382  105.2975       3.340519  -4.133148      2.263130  
1 1 1 -15 6  45 o 19.88660 0.8273992 3.959747       0.3285062 3.649714       0.4593086 4.284426       0.4700328 -1.595137      1.654798  
1 1 1 -15 6  46 o 33.66426 0.7067611 11.19328       0.4726272 12.93788       0.7180266 9.859529       0.6278121 4.566677       1.413522  
1 1 1 -15 6  47 o 86.67327 1.015024  75.28307       1.758739  73.69996       2.443461  76.98491       2.533442  -1.886215      2.030048  
1 1 1 -15 6  48 o 8.537849 1.622402  0.7584915      0.2895721 0.5349353      0.4123224 0.9760648      0.4067675 -2.236875      3.244803  
1 1 1 -15 6  49 o 6.498753 1.667654  0.3328803      0.2859268 0.4885575      0.4043281 0.1771517      0.4043950 1.343737       3.335308  
1 1 1 -15 6  50 o 37.56787 0.7272565 14.14019       0.5463821 14.05717       0.7764366 14.22163       0.7690186 -0.2195435     1.454513  
1 1 1 -15 6  51 f 13.13167 1.252137  1.736756       0.3283969 1.645451       0.4670516 1.826034       0.4618391 -0.6884508     2.504274  
1 1 1 -15 6  52 o 13.12094 1.260550  1.733489       0.3298191 1.566684       0.4625169 1.906069       0.4704537 -1.291921      2.521099  
1 1 1 -15 6  53 o 12.59980 1.416984  1.614418       0.3485108 1.820673       0.5121515 1.436544       0.4756117 1.686164       2.833968  
1 1 1 -15 6  54 o 29.67744 0.9960520 8.557790       0.5533461 9.661561       0.9985610 8.068645       0.6647429 2.631336       1.992104  
1 1 1 -15 6  55 o 13.33118 1.916271  1.874310       0.4932279 1.687876       0.6937992 2.064807       0.7013209 -1.412150      3.832542  
1 1 1 -15 6  56 o 30.25274 1.160341  9.142920       0.6984193 7.958244       0.9460632 10.56190       1.035400  -4.284758      2.320681  
1 1 1 -15 6  57 o 12.85285 2.092796  1.346517       0.6033308 0.2438795      0.7523667 3.333024       1.009853  -10.42275      4.185592  
1 1 1 -15 6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 7  1  o 144.2706 2.180080  207.3519       6.265451  219.2442       9.375739  197.7557       8.422143  7.430862       4.360161  
1 1 1 -15 7  2  o 81.78770 1.315187  66.88566       2.149765  66.12178       2.976821  67.71828       3.107865  -0.9746628     2.630374  
1 1 1 -15 7  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 7  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 7  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 7  6  o 421.2311 6.221953  1788.640       52.41693  1793.310       74.35395  1784.026       73.90555  1.081451       12.44391  
1 1 1 -15 7  7  o 340.1207 3.539787  1159.249       24.06801  1178.450       34.66933  1141.387       33.43863  5.416382       7.079573  
1 1 1 -15 7  8  o 267.4221 2.788621  716.2010       14.91273  709.9026       20.88412  722.7540       21.30164  -2.394196      5.577242  
1 1 1 -15 7  9  o 172.2668 1.814585  296.7900       6.248628  291.8071       8.672111  302.1706       9.011441  -3.003372      3.629169  
1 1 1 -15 7  10 o 220.6997 2.310093  487.3453       10.19151  478.7912       14.14382  496.5829       14.69809  -4.020935      4.620186  
1 1 1 -15 7  11 o 87.71133 0.9779705 76.57622       1.709355  81.17464       2.552380  72.83642       2.301782  4.751305       1.955941  
1 1 1 -15 7  12 o 214.9399 2.249685  461.6708       9.655715  448.3499       13.21917  476.9069       14.13753  -6.626602      4.499371  
1 1 1 -15 7  13 o 40.69473 0.5903121 16.53220       0.4800197 15.78064       0.6626382 17.36209       0.6963137 -1.942905      1.180624  
1 1 1 -15 7  14 o 152.1697 1.614305  231.2617       4.905656  224.2447       6.720568  239.2647       7.177215  -4.929337      3.228610  
1 1 1 -15 7  15 o 220.1580 3.267006  485.4968       14.37576  476.4027       19.90557  495.4110       20.78362  -4.294144      6.534012  
1 1 1 -15 7  16 o 181.4433 1.909136  329.3759       6.926102  325.2095       9.660579  333.7827       9.935165  -2.358383      3.818273  
1 1 1 -15 7  17 o 168.0299 1.773769  282.4193       5.958853  286.7411       8.563476  278.3622       8.297022  2.489609       3.547539  
1 1 1 -15 7  18 o 245.3918 2.565240  603.0497       12.58954  605.7863       17.87169  600.3540       17.73766  1.104126       5.130481  
1 1 1 -15 7  19 o 89.11008 0.9978741 79.00783       1.770872  83.78127       2.655473  75.18474       2.376473  4.821205       1.995748  
1 1 1 -15 7  20 o 278.9436 2.909174  779.7321       16.22985  778.5198       22.91457  780.9525       22.99057  -0.4340820     5.818349  
1 1 1 -15 7  21 f 81.20079 0.9283208 65.94966       1.507599  66.26536       2.135481  65.63597       2.128668  0.3874893      1.856642  
1 1 1 -15 7  22 o 334.3538 3.482855  1120.738       23.27600  1100.300       32.25315  1142.951       33.62408  -6.333282      6.965710  
1 1 1 -15 7  23 o 207.6888 2.179172  431.9075       9.051586  433.5993       12.85279  430.2427       12.74959  0.8058624      4.358344  
1 1 1 -15 7  24 o 102.0428 1.123088  103.5777       2.281938  98.29607       3.058725  110.2071       3.426853  -5.831947      2.246177  
1 1 1 -15 7  25 f 88.14098 0.9930258 77.63359       1.749077  79.55112       2.536298  75.89467       2.415275  2.072884       1.986052  
1 1 1 -15 7  26 o 151.0583 1.607331  227.2308       4.835862  240.4913       7.245825  216.5802       6.493709  7.900528       3.214662  
1 1 1 -15 7  27 o 113.9452 1.240112  129.8962       2.825907  130.6801       4.024141  129.1335       3.969296  0.6778107      2.480224  
1 1 1 -15 7  28 f 28.18703 0.6583108 7.910577       0.3685999 6.699580       0.5042944 9.299665       0.5401040 -4.611870      1.316622  
1 1 1 -15 7  29 o 111.1136 1.214593  123.3935       2.696512  126.7685       3.919154  120.3595       3.715850  2.880104       2.429186  
1 1 1 -15 7  30 o 97.47798 1.085812  95.06046       2.116639  95.87798       3.019485  94.27061       2.967940  0.8235474      2.171624  
1 1 1 -15 7  31 f 93.35715 1.047304  86.70640       1.947300  82.04096       2.613068  92.53329       2.920265  -5.613197      2.094607  
1 1 1 -15 7  32 o 67.68675 0.8189477 45.79318       1.107856  46.87931       1.603484  44.80119       1.532420  1.533798       1.637895  
1 1 1 -15 7  33 o 78.52316 0.9124601 61.39021       1.427551  65.06935       2.134042  58.41045       1.920522  4.235245       1.824920  
1 1 1 -15 7  34 o 81.34178 0.9393368 66.17237       1.527545  64.82697       2.124147  67.61337       2.198311  -1.710747      1.878674  
1 1 1 -15 7  35 o 96.10059 1.077779  92.44627       2.071310  92.91662       2.952543  91.99045       2.906547  0.4802322      2.155557  
1 1 1 -15 7  36 o 127.3006 1.379736  162.1406       3.509201  157.8262       4.832020  166.9557       5.104720  -3.572670      2.759472  
1 1 1 -15 7  37 o 52.24506 0.7134097 27.14115       0.7428946 25.25678       1.001454  29.44697       1.107800  -4.006992      1.426819  
1 1 1 -15 7  38 o 63.33790 0.7961075 40.14729       1.008398  40.30635       1.436205  39.99263       1.416186  0.2469368      1.592215  
1 1 1 -15 7  39 o 71.04367 0.8636162 50.37752       1.224362  52.62089       1.805662  48.46822       1.665801  2.916809       1.727232  
1 1 1 -15 7  40 f 122.7538 1.342141  150.4235       3.283318  158.6482       4.898094  143.7122       4.424556  6.050400       2.684282  
1 1 1 -15 7  41 o 50.22968 0.7151946 25.22843       0.7180572 25.86710       1.037413  24.64104       0.9948936 1.218781       1.430389  
1 1 1 -15 7  42 o 63.79744 0.8095277 40.58436       1.030135  42.91350       1.526670  38.63749       1.395776  3.344734       1.619055  
1 1 1 -15 7  43 o 26.58812 0.6991904 7.066764       0.3715211 7.450825       0.5357972 6.711107       0.5156049 1.390079       1.398381  
1 1 1 -15 7  44 f 54.20590 0.7530491 29.38945       0.8159046 30.18267       1.179082  28.66063       1.130197  1.401291       1.506098  
1 1 1 -15 7  45 o 48.20112 0.7290429 23.16271       0.7012953 21.62969       0.9553558 24.95407       1.032718  -3.443810      1.458086  
1 1 1 -15 7  46 o 40.62031 0.6987846 16.49826       0.5673119 15.79634       0.7861574 17.26095       0.8194804 -1.800720      1.397569  
1 1 1 -15 7  47 f 24.98677 0.7725627 6.124668       0.3802609 7.865139       0.5818837 4.827337       0.5023748 6.072596       1.545125  
1 1 1 -15 7  48 f 14.27499 1.111232  2.057544       0.3149630 1.791982       0.4487781 2.315316       0.4421461 -1.833828      2.222464  
1 1 1 -15 7  49 o 23.40558 0.8293702 5.406151       0.3833301 6.788900       0.5794017 4.329762       0.5112021 5.246771       1.658740  
1 1 1 -15 7  50 o 24.49230 0.9817847 6.063770       0.4561153 5.877892       0.7739772 6.162671       0.5645660 -0.6070957     1.963569  
1 1 1 -15 7  51 o 47.93275 1.050071  23.04914       1.006144  22.20521       1.397805  23.95653       1.449402  -1.819511      2.100143  
1 1 1 -15 7  52 o 21.20317 1.301924  4.531790       0.5420293 3.461061       0.7454535 5.732893       0.7895347 -5.349257      2.603847  
1 1 1 -15 7  53 o 8.162678 2.079932  0.5503276      0.4458607 0.2764142      0.6505101 0.7930129      0.6123068 -1.665343      4.159864  
1 1 1 -15 7  54 o 44.00521 0.8205415 19.48519       0.7198567 20.48032       0.9966321 18.39974       1.040870  2.370071       1.641083  
1 1 1 -15 7  55 o 43.76529 0.8254130 19.27537       0.7194141 19.94058       0.9837336 18.51059       1.054789  1.644024       1.650826  
1 1 1 -15 7  56 o 7.503677 2.091846  0.3019252      0.4701922 0.5374643      0.6712955 0.7508313E-01  0.6587854 1.419968       4.183691  
1 1 1 -15 7  57 o 29.71777 1.405507  9.032228       0.8013744 9.316131       1.009933  8.549594       1.316794  1.374043       2.811014  
1 1 1 -15 7  58 o 12.13035 4.297472  1.394907       1.308722  1.394907       1.308722  ?              ?         ?              ?         
1 1 1 -15 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 8  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 8  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 8  3  o 233.4559 3.000069  549.6129       13.32961  557.6989       16.55142  534.6894       22.48561  5.069733       6.000138  
1 1 1 -15 8  4  o 53.08321 0.6730910 27.91249       0.7101069 30.54721       1.080684  25.91052       0.9420213 4.366627       1.346182  
1 1 1 -15 8  5  o 185.9162 1.957852  344.1298       7.245820  363.9928       10.89339  328.3682       9.703750  9.562027       3.915704  
1 1 1 -15 8  6  o 340.6287 4.351280  1165.346       27.93902  1165.474       34.21626  1165.091       48.39722  0.5459900      8.702560  
1 1 1 -15 8  7  o 457.7935 6.777713  2114.406       61.97103  2177.775       90.50526  2058.472       85.03120  12.73120       13.55543  
1 1 1 -15 8  8  o 90.93733 1.446306  82.73336       2.630388  82.47327       3.703637  82.99808       3.736440  -0.2881699     2.892611  
1 1 1 -15 8  9  o 303.5118 4.485396  924.6147       27.20664  905.7875       37.60856  945.2849       39.40636  -6.441620      8.970793  
1 1 1 -15 8  10 f 173.0278 2.238965  299.5959       7.294547  300.1230       12.67435  299.3348       8.919978  0.1609039      4.477931  
1 1 1 -15 8  11 o 229.5044 2.399288  526.4839       10.99636  511.5334       15.06485  543.5340       16.08792  -6.951935      4.798575  
1 1 1 -15 8  12 o 90.19867 1.006107  81.33331       1.814308  79.87981       2.524065  82.88714       2.609715  -1.666374      2.012215  
1 1 1 -15 8  13 o 119.0148 1.281783  141.6726       3.050608  143.1021       4.357665  140.2987       4.272032  1.176865       2.563565  
1 1 1 -15 8  14 o 207.8560 2.179519  432.4471       9.059770  429.1224       12.71388  435.8768       12.91335  -1.621384      4.359039  
1 1 1 -15 8  15 o 140.2965 2.124198  197.0270       5.960346  197.1784       8.433875  196.8759       8.424538  0.1076660      4.248395  
1 1 1 -15 8  16 o 274.6799 2.864239  754.4389       15.70872  779.8466       23.02350  732.3093       21.48698  8.618042       5.728478  
1 1 1 -15 8  17 o 193.3481 2.031404  374.1301       7.854136  370.5494       10.99175  377.8656       11.22683  -1.888000      4.062808  
1 1 1 -15 8  18 o 103.7579 1.136543  106.7399       2.341907  115.4567       3.576382  100.1963       3.098663  7.349121       2.273086  
1 1 1 -15 8  19 o 138.5900 1.478593  192.0504       4.096098  195.8415       5.911855  188.5502       5.680580  2.627441       2.957185  
1 1 1 -15 8  20 o 111.2028 1.210497  123.4127       2.687295  128.3916       3.947196  119.1111       3.668867  4.169724       2.420994  
1 1 1 -15 8  21 o 142.4461 1.519130  202.4711       4.317849  195.2608       5.871534  210.9625       6.371820  -5.504166      3.038259  
1 1 1 -15 8  22 o 149.1781 1.586590  222.6988       4.733658  223.2674       6.709682  222.1352       6.679226  0.3789825      3.173180  
1 1 1 -15 8  23 o 232.1273 2.428727  539.4522       11.26957  530.0912       15.63756  549.5677       16.25556  -4.179306      4.857454  
1 1 1 -15 8  24 o 81.72695 0.9336394 66.72357       1.524607  68.73143       2.215749  64.91819       2.101060  2.331726       1.867279  
1 1 1 -15 8  25 o 104.2006 1.144908  108.1163       2.377041  114.2631       3.551655  103.1290       3.199192  5.337929       2.289816  
1 1 1 -15 8  26 o 101.8828 1.125937  103.6431       2.290504  100.4910       3.133408  107.2602       3.356622  -3.318909      2.251873  
1 1 1 -15 8  27 o 87.30876 0.9932019 75.95067       1.728507  72.73392       2.332866  79.86620       2.573813  -4.081123      1.986404  
1 1 1 -15 8  28 f 216.7665 2.275308  470.9423       9.863975  469.1683       13.89255  472.7457       14.00769  -0.8210754     4.550615  
1 1 1 -15 8  29 o 77.28154 0.9023718 59.55259       1.391635  56.97669       1.892746  62.58361       2.053164  -3.625183      1.804744  
1 1 1 -15 8  30 o 164.7137 1.747691  271.6418       5.755355  275.7564       8.271467  267.7801       8.013276  2.412659       3.495383  
1 1 1 -15 8  31 o 45.71473 0.6664721 20.90637       0.6092674 20.74242       0.8667745 21.06648       0.8565845 -0.3545837     1.332944  
1 1 1 -15 8  32 o 110.4375 1.212107  120.8341       2.655322  131.5960       4.081449  112.9361       3.496444  8.430923       2.424214  
1 1 1 -15 8  33 o 47.58711 0.6781667 22.56725       0.6438004 23.83556       0.9528084 21.50174       0.8733188 2.450638       1.356333  
1 1 1 -15 8  34 o 35.11520 0.6354697 12.03879       0.4408777 14.57579       0.6892163 10.28169       0.5735804 6.111935       1.270939  
1 1 1 -15 8  35 o 70.05789 0.8467986 48.83439       1.181724  52.15893       1.770398  46.16291       1.587019  4.274025       1.693597  
1 1 1 -15 8  36 o 78.38403 0.9175784 61.28053       1.435045  58.50673       1.949167  64.56361       2.120570  -3.857437      1.835157  
1 1 1 -15 8  37 o 112.7091 1.238790  127.2714       2.792307  127.9571       3.973567  126.6024       3.924722  0.5982819      2.477580  
1 1 1 -15 8  38 o 20.09355 0.7383432 4.029834       0.2960444 4.190342       0.4366075 3.893237       0.4027759 0.7381363      1.476686  
1 1 1 -15 8  39 o 92.39313 1.473078  85.55893       2.720099  87.46693       3.937028  83.81634       3.762506  1.962471       2.946156  
1 1 1 -15 8  40 o 47.87655 0.7022702 22.91770       0.6720560 23.55022       0.9708647 22.33577       0.9312350 1.266808       1.404540  
1 1 1 -15 8  41 o 25.18131 0.7018705 6.310750       0.3518648 7.229913       0.5174013 5.519894       0.4799324 3.393887       1.403741  
1 1 1 -15 8  42 f 65.83556 0.8280028 43.33512       1.089212  41.96221       1.501018  44.86210       1.583006  -2.197784      1.656006  
1 1 1 -15 8  43 o 63.77390 0.8190799 40.46753       1.040539  43.57412       1.559141  37.97267       1.397227  4.382351       1.638160  
1 1 1 -15 8  44 o 68.66893 0.8605960 47.03997       1.178937  44.64122       1.599225  49.89535       1.744810  -3.815865      1.721192  
1 1 1 -15 8  45 o 31.98903 0.7051333 10.23092       0.4507062 9.637910       0.6255106 10.87124       0.6499834 -1.926268      1.410267  
1 1 1 -15 8  46 o 59.89300 0.8005925 35.75370       0.9563187 33.53860       1.294741  38.41292       1.418609  -4.059624      1.601185  
1 1 1 -15 8  47 o 22.87416 0.9626153 5.099113       0.4188419 5.717540       0.7305303 4.796277       0.5112081 1.991722       1.925231  
1 1 1 -15 8  48 o 13.06681 1.664812  1.762325       0.4200700 2.236603       0.6064472 1.324887       0.5824185 3.679763       3.329624  
1 1 1 -15 8  49 o 67.05968 1.204513  45.18504       1.615074  45.59097       2.314407  44.79972       2.254875  0.5812378      2.409027  
1 1 1 -15 8  50 o 14.30793 1.439972  1.857914       0.3780690 1.245877       0.4589536 3.150075       0.6668654 -6.763633      2.879944  
1 1 1 -15 8  51 o 37.51777 0.7524992 14.04122       0.5633284 15.22786       0.8301662 13.02850       0.7669206 2.924564       1.504998  
1 1 1 -15 8  52 o 38.15899 0.7561182 14.59457       0.5769696 14.64553       0.8236718 14.54548       0.8084571 0.1294212      1.512236  
1 1 1 -15 8  53 f 23.55578 0.9049858 5.528168       0.4239544 6.428723       0.6271307 4.770224       0.5753362 3.513113       1.809972  
1 1 1 -15 8  54 o 65.33598 0.8850471 42.72383       1.153827  44.67538       1.703229  41.06862       1.568588  2.739365       1.770094  
1 1 1 -15 8  55 o 13.96268 1.668528  1.966003       0.4435654 2.187558       0.7272498 1.834761       0.5597311 0.9798193      3.337057  
1 1 1 -15 8  56 f 14.42235 2.082881  2.368032       0.5786129 1.316224       0.8989809 3.111922       0.7560255 -6.218236      4.165761  
1 1 1 -15 8  57 o 36.32111 1.376943  13.45846       0.9906798 14.84753       1.362376  11.89974       1.443179  4.080101       2.753886  
1 1 1 -15 8  58 f 29.50243 2.119705  8.827572       1.250729  8.827572       1.250729  ?              ?         ?              ?         
1 1 1 -15 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 9  1  o 230.5411 3.420030  531.8520       15.74302  516.3270       21.53650  549.6676       23.07058  -7.189941      6.840060  
1 1 1 -15 9  2  o 155.2768 2.337314  241.0634       7.250349  248.0959       10.56055  234.7930       9.971845  4.272919       4.674629  
1 1 1 -15 9  3  o 164.6103 2.469859  270.7804       8.117304  262.5435       11.09695  280.2602       11.90478  -5.365891      4.939718  
1 1 1 -15 9  4  o 214.4323 2.252694  459.2839       9.642428  476.3875       14.17236  444.5430       13.15707  7.407455       4.505387  
1 1 1 -15 9  5  o 53.53735 0.6760128 28.65793       0.7237326 29.10172       1.034389  28.23233       1.012972  0.8118362      1.352026  
1 1 1 -15 9  6  f 132.8912 1.419187  174.6449       3.736063  190.9963       5.781499  162.9210       4.895522  10.55341       2.838374  
1 1 1 -15 9  7  o 71.46881 0.8344103 51.04840       1.192001  52.13655       1.721282  50.04571       1.652320  1.462318       1.668821  
1 1 1 -15 9  8  o 251.0191 2.619845  630.0197       13.13383  612.7570       18.00808  649.6369       19.19696  -7.321686      5.239689  
1 1 1 -15 9  9  o 214.8903 2.250763  462.2584       9.672728  465.2937       13.77303  459.3044       13.58747  1.390305       4.501527  
1 1 1 -15 9  10 o 22.51816 0.8108633 4.543083       0.3385404 3.771715       0.3979601 6.563212       0.6440183 -6.196760      1.621727  
1 1 1 -15 9  11 o 231.1247 3.426854  535.3868       15.83598  542.6490       22.72628  528.5326       22.07867  3.036591       6.853707  
1 1 1 -15 9  12 o 50.74625 0.9845217 25.38840       0.9911647 28.76896       1.524347  22.91223       1.304604  5.768909       1.969043  
1 1 1 -15 9  13 o 160.5830 2.412754  257.7392       7.737006  250.2720       10.59551  266.2692       11.32438  -4.966919      4.825508  
1 1 1 -15 9  14 o 201.4920 2.731795  407.6421       10.82971  401.3270       16.83918  412.0965       14.14241  -2.732697      5.463591  
1 1 1 -15 9  15 o 65.65717 1.148000  42.74743       1.498734  46.54473       2.273864  39.83061       1.992883  5.110264       2.296000  
1 1 1 -15 9  16 o 138.6673 1.480633  192.3467       4.105564  194.5991       5.873873  190.1953       5.740705  1.586166       2.961266  
1 1 1 -15 9  17 o 121.5436 1.310601  146.8943       3.170308  156.5464       4.776110  139.2917       4.238811  7.091805       2.621202  
1 1 1 -15 9  18 o 222.0802 2.325451  493.8599       10.32821  491.0981       14.51850  496.6895       14.69569  -1.255066      4.650902  
1 1 1 -15 9  19 o 27.36203 0.5929345 7.316429       0.3202849 9.180056       0.4942500 5.967279       0.4205302 5.870455       1.185869  
1 1 1 -15 9  20 o 207.8141 2.180424  432.3151       9.060182  437.8302       12.98841  427.0882       12.64458  2.577103       4.360849  
1 1 1 -15 9  21 o 60.31767 0.7506459 36.05178       0.9001458 33.45987       1.195904  39.43949       1.367225  -4.955437      1.501292  
1 1 1 -15 9  22 f 161.7842 1.716103  261.9760       5.552732  262.4681       7.869491  261.4879       7.836112  0.3023224      3.432206  
1 1 1 -15 9  23 o 164.4696 1.743979  270.7511       5.736397  272.2416       8.157133  269.2928       8.068574  0.8947296      3.487959  
1 1 1 -15 9  24 o 359.0948 3.743778  1294.803       26.87339  1318.415       38.75978  1272.945       37.29210  6.265839       7.487556  
1 1 1 -15 9  25 o 154.6310 1.645006  239.3034       5.086536  237.2142       7.117217  241.4845       7.272183  -1.377518      3.290012  
1 1 1 -15 9  26 o 199.9546 2.103631  399.8261       8.399945  413.0601       12.29015  388.2249       11.50711  6.186264       4.207261  
1 1 1 -15 9  27 o 244.2101 2.557495  597.1000       12.47296  580.2754       17.09382  616.2584       18.24084  -7.320816      5.114990  
1 1 1 -15 9  28 o 173.3679 1.834616  300.6774       6.354809  293.3842       8.753613  308.8039       9.240232  -4.432144      3.669233  
1 1 1 -15 9  29 o 61.62531 0.7735383 37.92068       0.9523423 36.57594       1.309750  39.42920       1.387216  -2.313854      1.547077  
1 1 1 -15 9  30 o 137.3726 1.474412  188.8830       4.049433  185.9632       5.636843  191.9967       5.821128  -2.190048      2.948824  
1 1 1 -15 9  31 o 91.73671 1.033889  83.24650       1.879998  91.30346       2.901836  77.41865       2.467982  7.556892       2.067777  
1 1 1 -15 9  32 o 189.5079 2.001900  360.2581       7.587388  358.9893       10.69290  361.5448       10.76787  -0.6700439     4.003799  
1 1 1 -15 9  33 o 55.44813 0.7307693 30.28952       0.8025869 34.15842       1.245103  27.53923       1.049785  5.964260       1.461539  
1 1 1 -15 9  34 o 150.8241 1.613216  227.9219       4.863868  231.8785       7.010201  224.2492       6.754046  2.515152       3.226431  
1 1 1 -15 9  35 o 51.28570 0.7084736 25.98235       0.7215256 23.56651       0.9535641 29.21808       1.103577  -5.505840      1.416947  
1 1 1 -15 9  36 o 97.42186 1.093791  95.05091       2.131155  95.16252       3.022306  94.94054       3.005580  0.1131287      2.187581  
1 1 1 -15 9  37 o 34.28399 0.6618635 11.75224       0.4535047 11.97215       0.6560782 11.55102       0.6275759 0.6133003      1.323727  
1 1 1 -15 9  38 o 102.0240 1.600823  104.4269       3.265635  102.8166       4.556761  106.1272       4.682412  -1.612457      3.201646  
1 1 1 -15 9  39 o 91.00909 1.040653  82.93018       1.893571  84.17833       2.719548  81.75563       2.638134  1.326477       2.081305  
1 1 1 -15 9  40 f 58.14449 0.7698604 33.84019       0.8952455 33.58491       1.265687  34.09579       1.266450  -0.4392891     1.539721  
1 1 1 -15 9  41 o 23.86347 0.7396612 5.689476       0.3526518 6.046010       0.5108239 5.364828       0.4874468 1.426136       1.479322  
1 1 1 -15 9  42 o 23.65031 1.149504  5.599861       0.5421563 5.712011       0.8010367 5.505059       0.7364751 0.4323139      2.299009  
1 1 1 -15 9  43 o 21.09093 0.9381564 4.283247       0.3710666 4.951043       0.6703551 3.988242       0.4455522 2.266850       1.876313  
1 1 1 -15 9  44 o 39.86765 0.9650160 15.91023       0.7685599 14.86034       1.068640  17.03512       1.106146  -2.724487      1.930032  
1 1 1 -15 9  45 o 56.55242 1.081154  32.08373       1.222640  31.62644       1.735849  32.53395       1.722379  -0.8037071     2.162308  
1 1 1 -15 9  46 o 58.11123 1.100013  33.68177       1.273033  36.07536       1.910449  31.77014       1.707311  3.681225       2.200027  
1 1 1 -15 9  47 f 85.76669 1.237546  72.76922       1.974319  70.89420       2.373744  76.97755       3.556197  -3.390877      2.475092  
1 1 1 -15 9  48 o 10.33846 1.534515  1.117991       0.3075365 1.277143       0.4391207 0.9647827      0.4308421 1.496469       3.069030  
1 1 1 -15 9  49 o 26.98149 0.8224961 7.361722       0.4394346 6.278610       0.6291842 8.393194       0.6140023 -3.920166      1.644992  
1 1 1 -15 9  50 o 64.36932 0.8565468 41.53071       1.102425  40.34219       1.540884  42.77701       1.577902  -1.886986      1.713094  
1 1 1 -15 9  51 o 29.70096 0.8120091 8.867405       0.4796305 7.728912       0.6739419 10.03583       0.6827439 -3.882565      1.624018  
1 1 1 -15 9  52 o 13.37941 1.503928  1.709463       0.3697898 2.993009       0.6068684 0.9514338      0.4663714 7.730362       3.007856  
1 1 1 -15 9  53 o 53.42225 0.8155900 28.56219       0.8692622 29.53426       1.283194  27.73780       1.181712  1.667580       1.631180  
1 1 1 -15 9  54 o 36.34354 0.8391799 13.24661       0.6091687 14.21802       0.8731556 12.32541       0.8502887 2.600391       1.678360  
1 1 1 -15 9  55 o 19.26906 1.422249  3.757215       0.5416061 4.537237       0.7823359 3.039296       0.7505462 3.878799       2.844498  
1 1 1 -15 9  56 o 16.29454 1.927707  2.820462       0.5852557 2.505271       0.9482870 3.014383       0.7438160 -1.911121      3.855414  
1 1 1 -15 9  57 o 18.15446 1.791828  3.363799       0.6284992 3.342925       1.028847  3.376226       0.7938350 -0.1806507     3.583657  
1 1 1 -15 9  58 o 19.65166 2.684884  3.948619       1.055248  3.948619       1.055248  ?              ?         ?              ?         
1 1 1 -15 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 10 1  o 177.2077 2.652300  314.5494       9.399762  312.9808       13.22118  316.1528       13.36656  -0.8916931     5.304599  
1 1 1 -15 10 2  o 180.6555 2.703989  326.5974       9.761381  334.6918       14.16188  319.2711       13.47321  4.252197       5.407978  
1 1 1 -15 10 3  o 137.1251 2.085973  188.0914       5.717379  191.9272       8.258255  184.5604       7.923331  2.680328       4.171947  
1 1 1 -15 10 4  o 210.9821 3.137197  446.1529       13.23779  445.5753       18.68961  446.7344       18.75268  -0.2730560     6.274395  
1 1 1 -15 10 5  f 202.4739 2.125405  410.3795       8.606697  411.5689       12.20450  409.2026       12.13918  0.5832062      4.250810  
1 1 1 -15 10 6  o 85.69734 0.9585975 73.34082       1.641100  75.76203       2.391347  71.18540       2.256270  2.669167       1.917195  
1 1 1 -15 10 7  o 31.79021 0.5401957 10.09759       0.3433008 10.47402       0.4940915 9.746237       0.4773427 1.144594       1.080391  
1 1 1 -15 10 8  o 125.3680 1.344645  157.2023       3.370915  158.9968       4.821930  155.4871       4.714280  1.398567       2.689290  
1 1 1 -15 10 9  f 208.2529 2.183173  433.7253       9.085078  444.4232       13.18282  424.0484       12.53791  4.880219       4.366345  
1 1 1 -15 10 10 o 61.36000 0.7430181 37.54014       0.9099216 39.38354       1.340739  35.96607       1.238930  2.784134       1.486036  
1 1 1 -15 10 11 o 197.3550 2.073207  389.4651       8.175321  399.2122       11.87607  380.6859       11.27095  4.682968       4.146414  
1 1 1 -15 10 12 o 122.9065 1.322206  150.9913       3.247807  147.8133       4.491710  154.4733       4.701663  -2.706970      2.644412  
1 1 1 -15 10 13 o 98.76158 1.086155  97.31905       2.141147  101.3430       3.150055  93.86335       2.919185  3.784492       2.172309  
1 1 1 -15 10 14 o 310.1902 3.509032  958.4967       21.32199  933.1957       27.34324  997.7509       34.05844  -10.19434      7.018064  
1 1 1 -15 10 15 o 197.6857 2.946522  391.6262       11.64853  394.8063       16.61547  388.5525       16.33513  1.574219       5.893044  
1 1 1 -15 10 16 o 166.8463 2.504420  278.3085       8.343736  270.0529       11.41997  287.7618       12.22029  -5.288269      5.008840  
1 1 1 -15 10 17 o 188.5266 2.816738  355.8212       10.61156  364.6614       15.39293  347.8152       14.64874  4.447723       5.633475  
1 1 1 -15 10 18 o 48.51345 0.9927425 23.17324       0.9552786 20.63102       1.257273  26.64525       1.469310  -6.196415      1.985485  
1 1 1 -15 10 19 o 124.0023 1.903444  153.1858       4.702486  162.0953       7.031221  145.9756       6.325293  6.485771       3.806887  
1 1 1 -15 10 20 o 112.7225 1.504518  128.0525       3.224330  124.2146       5.447685  130.1219       4.000250  -2.643417      3.009037  
1 1 1 -15 10 21 o 130.8519 1.406099  171.2922       3.679223  169.3757       5.147519  173.2940       5.260742  -1.495468      2.812199  
1 1 1 -15 10 22 o 51.76484 0.6952298 26.75271       0.7190343 25.76612       0.9898793 27.85476       1.046192  -2.016972      1.390460  
1 1 1 -15 10 23 o 161.5680 1.714454  261.3058       5.539890  262.1568       7.866333  260.4683       7.803223  0.5212250      3.428909  
1 1 1 -15 10 24 o 210.5502 2.210693  444.1468       9.309145  445.2444       13.20049  443.0608       13.13003  0.5164337      4.421387  
1 1 1 -15 10 25 o 214.4246 2.251599  460.6696       9.653907  465.8167       13.82372  455.7697       13.48784  2.331329       4.503198  
1 1 1 -15 10 26 o 94.27162 1.054509  88.89229       1.987815  87.76385       2.777983  90.07637       2.845628  -1.225372      2.109018  
1 1 1 -15 10 27 f 107.1390 1.177018  114.5092       2.516007  110.0439       3.417956  119.7905       3.717192  -4.542488      2.354035  
1 1 1 -15 10 28 o 69.40585 0.8360251 48.13306       1.159618  46.76880       1.602175  49.63401       1.680523  -2.062790      1.672050  
1 1 1 -15 10 29 o 106.3406 1.172094  113.0020       2.489860  109.7037       3.421676  116.7139       3.629930  -3.290627      2.344188  
1 1 1 -15 10 30 o 96.00206 1.074603  91.70490       2.054322  86.86662       2.754366  97.77051       3.083999  -5.670280      2.149205  
1 1 1 -15 10 31 o 88.07892 1.002352  77.64059       1.765704  77.75338       2.503525  77.52896       2.490688  0.1270294      2.004704  
1 1 1 -15 10 32 o 54.89805 0.7372352 29.76244       0.8027452 33.17548       1.236296  27.27455       1.055522  5.370171       1.474470  
1 1 1 -15 10 33 f 104.4784 1.156648  109.2416       2.415854  111.1103       3.478219  107.4999       3.358019  1.723091       2.313296  
1 1 1 -15 10 34 o 20.05055 0.7275416 4.038444       0.2901399 3.557719       0.4110399 4.515814       0.4096033 -2.389238      1.455083  
1 1 1 -15 10 35 o 67.49861 0.8284575 45.49349       1.116402  47.30037       1.638997  43.92953       1.524839  2.492836       1.656915  
1 1 1 -15 10 36 o 75.16695 0.8948687 56.25278       1.340497  53.10522       1.805121  60.12268       2.001559  -4.659843      1.789737  
1 1 1 -15 10 37 o 22.94646 0.8073331 5.174239       0.3670729 4.424720       0.4839569 6.189524       0.5632603 -3.842325      1.614666  
1 1 1 -15 10 38 o 89.53015 1.025733  80.20805       1.835513  78.26554       2.541176  82.32706       2.654121  -2.262077      2.051465  
1 1 1 -15 10 39 o 49.21996 0.7161423 24.09912       0.7022222 25.88006       1.051334  22.66458       0.9435681 3.262138       1.432285  
1 1 1 -15 10 40 o 83.42023 1.192107  69.14469       1.858507  71.49763       3.301373  68.05306       2.248672  1.987282       2.384214  
1 1 1 -15 10 41 o 8.872983 1.774146  0.7776867      0.3468505 1.179790       0.5041853 0.4164017      0.4779100 3.496104       3.548293  
1 1 1 -15 10 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 10 43 o 59.85800 1.023163  35.37009       1.196105  33.53257       1.517575  38.38358       1.943434  -4.016483      2.046326  
1 1 1 -15 10 44 o 25.22387 0.7940930 6.186814       0.3947140 7.730102       0.6219202 5.145872       0.5107692 5.114767       1.588186  
1 1 1 -15 10 45 o 40.03636 0.7237253 16.07066       0.5788504 15.51304       0.8286562 16.60206       0.8089362 -1.361469      1.447451  
1 1 1 -15 10 46 o 50.64879 0.7631705 25.54105       0.7706980 23.32157       1.044920  28.18890       1.141310  -4.797218      1.526341  
1 1 1 -15 10 47 o 19.15708 0.9470109 3.645672       0.3602177 3.963033       0.5508676 3.408597       0.4761179 1.438992       1.894022  
1 1 1 -15 10 48 o 32.39690 0.7721874 10.47642       0.4948102 8.473933       0.6764436 12.78105       0.7256830 -6.642748      1.544375  
1 1 1 -15 10 49 o 44.61216 0.7612185 19.94332       0.6787385 18.96599       0.9526556 20.95088       0.9672740 -2.223106      1.522437  
1 1 1 -15 10 50 o 53.75188 0.8020571 28.96322       0.8617799 29.03207       1.239867  28.89888       1.198659  0.1193161      1.604114  
1 1 1 -15 10 51 o 39.07367 0.7694857 15.31348       0.6004711 15.13398       0.8699963 15.47679       0.8298167 -0.4431915     1.538971  
1 1 1 -15 10 52 f 9.772790 1.648382  0.8939500      0.3555892 1.684893       0.5448855 0.3072328      0.4692962 6.287209       3.296764  
1 1 1 -15 10 53 o 19.36841 1.085791  3.765002       0.4175212 3.840323       0.6325309 3.706845       0.5558093 0.3299999      2.171581  
1 1 1 -15 10 54 o 22.59507 1.159691  5.183506       0.5121182 5.361860       0.6642331 4.922102       0.8041484 1.001627       2.319382  
1 1 1 -15 10 55 o 43.79752 1.157361  19.03420       1.000425  21.04512       1.574232  17.67189       1.295718  3.789310       2.314722  
1 1 1 -15 10 56 o 29.21369 1.282060  8.714188       0.7328890 8.081933       1.138081  9.162149       0.9579601 -1.894760      2.564121  
1 1 1 -15 10 57 o 36.51634 1.370445  13.58055       0.9925275 14.35398       1.345270  12.65662       1.470346  2.362213       2.740891  
1 1 1 -15 10 58 o 17.58065 4.111143  3.377487       1.421161  3.377487       1.421161  ?              ?         ?              ?         
1 1 1 -15 10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 11 1  o 69.80551 1.204281  48.40569       1.674077  52.40659       2.514210  45.21911       2.243803  5.145203       2.408561  
1 1 1 -15 11 2  o 161.9246 2.437353  262.5995       7.893349  262.7960       11.16477  262.4032       11.16100  0.1212006      4.874707  
1 1 1 -15 11 3  o 137.7804 2.097570  190.0493       5.780077  190.2710       8.176236  189.8277       8.172290  0.1607819      4.195139  
1 1 1 -15 11 4  o 175.6349 2.632331  308.8111       9.241123  303.2101       12.80844  314.8920       13.34597  -3.312820      5.264662  
1 1 1 -15 11 5  o 203.8805 2.141204  416.1463       8.730781  417.8666       12.39963  414.4548       12.29540  0.8347168      4.282408  
1 1 1 -15 11 6  o 48.42435 0.6416676 23.37675       0.6202998 24.69006       0.9117553 22.24508       0.8463628 2.524162       1.283335  
1 1 1 -15 11 7  o 131.9184 1.414899  173.0959       3.714260  164.6288       4.964219  183.8639       5.598266  -7.282440      2.829799  
1 1 1 -15 11 8  f 147.2845 1.565191  216.7176       4.604576  223.5297       6.720886  210.6916       6.321187  4.352646       3.130382  
1 1 1 -15 11 9  o 66.86533 0.7924494 44.64745       1.058653  46.19944       1.540501  43.25861       1.457285  2.198471       1.584899  
1 1 1 -15 11 10 o 286.2992 2.986598  821.3687       17.09790  830.7357       24.47033  812.4333       23.89993  3.180817       5.973195  
1 1 1 -15 11 11 o 125.9813 1.354159  158.7125       3.410624  156.2402       4.743935  161.3575       4.906894  -2.028923      2.708318  
1 1 1 -15 11 12 o 126.2182 1.355829  159.0567       3.416808  164.8161       5.010380  154.0499       4.671584  4.260628       2.711658  
1 1 1 -15 11 13 o 62.31506 0.7603394 38.65341       0.9445999 41.09447       1.405897  36.64462       1.275355  3.569504       1.520679  
1 1 1 -15 11 14 o 387.3844 4.036433  1507.353       31.27279  1505.105       44.12739  1509.621       44.32609  -0.5750732     8.072866  
1 1 1 -15 11 15 o 149.0177 1.834751  221.3614       5.449554  211.9309       7.351723  232.8630       8.118931  -7.009338      3.669503  
1 1 1 -15 11 16 o 54.28817 0.7049618 29.19467       0.7607299 31.99860       1.156721  27.05760       1.009844  4.549652       1.409924  
1 1 1 -15 11 17 o 201.1521 2.112873  404.5077       8.488497  393.4035       11.64481  417.0985       12.39982  -5.872879      4.225746  
1 1 1 -15 11 18 o 147.1795 1.566965  216.5131       4.607671  222.3842       6.702565  211.2523       6.344619  3.775620       3.133930  
1 1 1 -15 11 19 o 84.83707 0.9652832 71.95084       1.637047  70.66435       2.273026  73.33729       2.359672  -1.574394      1.930566  
1 1 1 -15 11 20 o 45.98029 0.8357770 20.81529       0.7059442 20.32866       0.8404673 21.98108       1.300859  -1.792446      1.671554  
1 1 1 -15 11 21 o 63.50848 1.139762  40.27476       1.446027  38.79718       1.987513  41.93653       2.107763  -2.469910      2.279523  
1 1 1 -15 11 22 o 345.0543 5.120232  1202.366       35.33253  1194.494       49.60816  1210.470       50.33527  -2.265015      10.24046  
1 1 1 -15 11 23 o 41.98001 0.9882442 17.61475       0.8292812 16.84740       1.155012  18.43120       1.191396  -1.885834      1.976488  
1 1 1 -15 11 24 o 156.0327 2.365204  243.5279       7.366386  235.9678       10.04813  252.3121       10.83117  -5.208191      4.730408  
1 1 1 -15 11 25 o 113.0298 1.607435  127.5245       3.543290  129.6467       5.702614  126.1900       4.522172  1.497826       3.214869  
1 1 1 -15 11 26 o 208.2242 2.711400  429.0310       10.40792  451.2150       19.03288  419.5672       12.43126  7.274094       5.422800  
1 1 1 -15 11 27 o 84.70025 0.9774826 71.67483       1.653927  73.90784       2.410300  69.68777       2.273685  2.488358       1.954965  
1 1 1 -15 11 28 o 111.5918 1.222818  124.4255       2.725162  128.5999       3.985208  120.7591       3.734882  3.506088       2.445636  
1 1 1 -15 11 29 o 81.88108 0.9451764 66.99036       1.546371  64.93716       2.130895  69.27454       2.247562  -2.645767      1.890353  
1 1 1 -15 11 30 f 22.65710 0.7175187 4.994492       0.3195053 6.533620       0.4963734 3.905672       0.4174928 5.797750       1.435037  
1 1 1 -15 11 31 o 37.96611 0.6546040 14.21520       0.4933785 16.25427       0.7549976 12.69542       0.6518061 4.684673       1.309208  
1 1 1 -15 11 32 o 102.7236 1.141236  105.6099       2.343772  107.2061       3.369671  104.1140       3.262132  1.500862       2.282472  
1 1 1 -15 11 33 o 55.92224 0.7424021 30.78187       0.8216581 34.82353       1.279953  27.94888       1.071609  6.140652       1.484804  
1 1 1 -15 11 34 o 32.32468 0.6653913 10.41823       0.4284890 10.84727       0.6397578 10.06920       0.5770345 1.201677       1.330783  
1 1 1 -15 11 35 o 55.74978 0.7479049 31.02762       0.8328984 29.39064       1.145498  32.86385       1.213209  -3.112671      1.495810  
1 1 1 -15 11 36 o 114.9639 1.638447  132.0849       3.673524  135.2425       5.920857  130.1087       4.684090  2.133255       3.276895  
1 1 1 -15 11 37 o 127.1078 1.954304  161.9459       4.955254  155.3625       6.721937  169.7817       7.333509  -5.608528      3.908607  
1 1 1 -15 11 38 o 57.54571 1.062845  32.52516       1.205882  36.98475       1.910267  29.57071       1.554838  6.420853       2.125691  
1 1 1 -15 11 39 o 51.24017 1.016328  26.29361       1.039884  26.46291       1.516135  26.14321       1.428968  0.3065033      2.032657  
1 1 1 -15 11 40 f 37.22988 0.8253783 14.14963       0.6027107 16.22797       0.8204699 11.71351       0.8882870 6.066799       1.650757  
1 1 1 -15 11 41 o 11.74137 1.295183  1.367610       0.3022502 1.529138       0.4597664 1.244671       0.4011059 1.205994       2.590366  
1 1 1 -15 11 42 o 29.61770 0.7382691 8.776561       0.4358607 8.860264       0.6446120 8.706059       0.5915950 0.2571697      1.476538  
1 1 1 -15 11 43 f 31.72921 0.7277636 9.997223       0.4592222 10.84992       0.6959103 9.339517       0.6111841 2.374777       1.455527  
1 1 1 -15 11 44 o 16.25058 1.032184  2.569648       0.3297428 3.097387       0.5293404 2.235008       0.4215170 2.642456       2.064368  
1 1 1 -15 11 45 o 17.68013 1.035005  3.226107       0.3554416 2.594085       0.5341768 3.728281       0.4761528 -3.213694      2.070009  
1 1 1 -15 11 46 o 59.48618 0.8159856 35.45368       0.9701861 35.64791       1.398806  35.27364       1.346774  0.3098450      1.631971  
1 1 1 -15 11 47 o 25.77414 0.8290544 6.443830       0.4197339 8.423346       0.6602283 5.101088       0.5437652 6.433277       1.658109  
1 1 1 -15 11 48 o 40.42909 0.7588791 16.39542       0.6128759 16.00450       0.8821810 16.76011       0.8520774 -0.9375000     1.517758  
1 1 1 -15 11 49 o 49.20367 0.7761528 24.24577       0.7629635 24.68692       1.109071  23.84943       1.051237  0.8449135      1.552306  
1 1 1 -15 11 50 o 64.38479 0.8674706 41.56763       1.116754  40.28064       1.564504  42.90458       1.594582  -2.033905      1.734941  
1 1 1 -15 11 51 f 52.69855 0.8054909 27.79435       0.8471006 28.62731       1.246977  27.08056       1.154341  1.456249       1.610982  
1 1 1 -15 11 52 o 22.68224 0.9620370 5.262913       0.4283425 4.340221       0.6277433 6.066832       0.5859495 -3.812859      1.924074  
1 1 1 -15 11 53 o 44.77073 0.8007402 20.12612       0.7162725 19.59248       1.027427  20.63073       0.9990922 -1.163513      1.601480  
1 1 1 -15 11 54 o 72.82784 1.206423  53.46780       1.734604  53.60912       2.279829  53.27352       2.673025  0.3175354      2.412847  
1 1 1 -15 11 55 o 28.29499 1.302787  8.209994       0.7230076 7.284872       1.097322  8.919735       0.9611334 -2.923822      2.605575  
1 1 1 -15 11 56 o 20.35563 1.679792  4.295663       0.6547806 3.915908       1.067673  4.524598       0.8289757 -1.580944      3.359584  
1 1 1 -15 11 57 o 21.72694 1.814844  4.832468       0.7844240 5.405204       1.110803  4.262732       1.107889  2.627998       3.629687  
1 1 1 -15 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 12 1  o 127.3258 1.955184  162.2610       4.977841  160.5634       6.954713  164.0442       7.127943  -1.363419      3.910367  
1 1 1 -15 12 2  o 215.2860 3.208736  464.7975       13.81464  461.3372       19.37953  468.3726       19.69806  -1.623611      6.417472  
1 1 1 -15 12 3  f 303.7240 4.496041  927.5483       27.30581  917.8882       38.17004  937.6738       39.07848  -3.216309      8.992083  
1 1 1 -15 12 4  o 64.12798 1.147002  41.10132       1.470342  42.33057       2.121309  39.96468       2.039839  1.843739       2.294003  
1 1 1 -15 12 5  o 137.9881 1.474199  190.4431       4.067049  187.6639       5.663470  193.4023       5.844135  -2.076691      2.948397  
1 1 1 -15 12 6  o 117.2138 1.268826  136.6334       2.960108  145.4732       4.457265  129.6585       3.959288  6.739883       2.537651  
1 1 1 -15 12 7  o 32.78212 0.5689927 10.71808       0.3724467 11.59712       0.5417858 9.930454       0.5128433 2.541878       1.137985  
1 1 1 -15 12 8  o 92.51733 1.028239  85.59367       1.902138  84.50011       2.655054  86.74683       2.726426  -1.213486      2.056479  
1 1 1 -15 12 9  o 226.4206 2.370286  513.2976       10.73056  520.3720       15.39758  506.6174       14.96237  3.027161       4.740572  
1 1 1 -15 12 10 o 179.8088 1.894821  323.4939       6.811479  318.6296       9.476452  328.6932       9.797332  -2.792313      3.789643  
1 1 1 -15 12 11 o 181.4286 1.911658  329.2534       6.931970  336.1963       10.02452  322.8913       9.596081  3.658386       3.823316  
1 1 1 -15 12 12 o 172.1344 1.817134  295.9230       6.243939  306.9127       9.175206  286.4435       8.521513  5.933380       3.634268  
1 1 1 -15 12 13 o 89.11906 1.000615  79.44030       1.783402  80.03352       2.536484  78.86035       2.507980  0.6579056      2.001230  
1 1 1 -15 12 14 o 95.90497 1.065105  91.87806       2.040671  89.40679       2.806732  94.64942       2.972265  -2.731339      2.130209  
1 1 1 -15 12 15 o 67.37018 0.8068281 45.36817       1.086560  46.23599       1.567192  44.56488       1.507785  1.239716       1.613656  
1 1 1 -15 12 16 o 175.4032 1.853885  306.9137       6.484047  294.8720       8.772772  321.4123       9.626187  -7.547729      3.707770  
1 1 1 -15 12 17 o 171.2634 1.812788  293.6223       6.209206  292.8015       8.754725  294.4531       8.807802  -0.4810944     3.625577  
1 1 1 -15 12 18 o 217.8360 2.285538  475.1806       9.953952  468.7034       13.85983  482.0803       14.30474  -3.058182      4.571076  
1 1 1 -15 12 19 o 223.6039 2.344963  500.9715       10.48679  502.0514       14.86302  499.9007       14.79832  0.4789886      4.689927  
1 1 1 -15 12 20 o 70.33992 0.8396538 49.43439       1.180222  50.79711       1.712315  48.20109       1.628975  1.844376       1.679308  
1 1 1 -15 12 21 o 114.7204 1.249375  130.6590       2.848678  123.0266       3.782774  140.6577       4.329659  -7.674179      2.498749  
1 1 1 -15 12 22 o 149.5762 1.595469  223.8817       4.771017  227.4870       6.863083  220.5099       6.637066  2.326584       3.190937  
1 1 1 -15 12 23 o 234.8549 2.463689  552.9149       11.56851  545.1825       16.11848  561.1295       16.61344  -3.375000      4.927378  
1 1 1 -15 12 24 o 54.81914 0.7247117 30.04220       0.7943259 29.32126       1.107234  30.80667       1.140183  -1.354397      1.449423  
1 1 1 -15 12 25 o 133.3517 1.436959  177.8506       3.829352  173.6085       5.289119  182.5239       5.551442  -3.335114      2.873917  
1 1 1 -15 12 26 o 119.1782 1.599537  142.6792       3.596051  143.5245       4.413110  141.0087       6.203694  1.118538       3.199074  
1 1 1 -15 12 27 o 126.9965 1.780003  162.1472       4.450559  164.6725       5.828435  158.6157       6.892650  2.430176       3.560006  
1 1 1 -15 12 28 o 190.3087 2.859404  364.4472       10.88333  365.1635       15.42150  363.7365       15.36138  0.3702240      5.718808  
1 1 1 -15 12 29 o 38.18929 0.9807534 14.46669       0.7457343 16.16873       1.118480  13.10453       1.000595  4.008305       1.961507  
1 1 1 -15 12 30 o 41.58019 0.9762753 17.25258       0.8101661 18.08147       1.193791  16.54488       1.103075  1.844788       1.952551  
1 1 1 -15 12 31 o 105.2527 1.664459  111.0445       3.502827  109.4428       4.885394  112.7391       5.025047  -1.557747      3.328918  
1 1 1 -15 12 32 o 101.9949 1.623408  104.1974       3.307947  107.2801       4.816011  101.4440       4.551476  2.843712       3.246816  
1 1 1 -15 12 33 o 110.0014 1.715206  0.000000       0.000000  ?              ?         121.2273       3.773501  ?              ?         
1 1 1 -15 12 34 o 17.38239 1.516661  0.000000       0.000000  ?              ?         3.026040       0.5272636 ?              ?         
1 1 1 -15 12 35 o 24.74807 1.017520  6.284172       0.4855784 4.381699       0.6874498 8.178493       0.6859756 -7.670965      2.035040  
1 1 1 -15 12 36 o 80.09889 1.313889  64.22038       2.101641  66.14718       3.074113  62.52954       2.879739  2.244598       2.627778  
1 1 1 -15 12 37 o 34.95130 0.8011332 12.47583       0.5487886 14.35960       0.7470561 10.26766       0.8088281 5.856476       1.602266  
1 1 1 -15 12 38 o 20.75074 0.8082575 4.303902       0.3340225 4.384293       0.4977623 4.238047       0.4505211 0.3500271      1.616515  
1 1 1 -15 12 39 o 47.75964 0.7162188 22.46086       0.6769365 25.40109       1.054803  20.40186       0.8826911 5.225109       1.432438  
1 1 1 -15 12 40 f 51.10773 0.7395890 26.14575       0.7554324 26.22291       1.089919  26.07442       1.047999  0.1430740      1.479178  
1 1 1 -15 12 41 o 16.89883 1.465671  2.893042       0.4911744 2.613142       0.7190652 3.137879       0.6725196 -1.558016      2.931342  
1 1 1 -15 12 42 o 15.41475 1.052411  2.369578       0.3208368 2.467190       0.4962173 2.299458       0.4205716 0.5371952      2.104823  
1 1 1 -15 12 43 o 50.08594 0.7485431 24.89064       0.7450047 27.14558       1.134613  23.18159       0.9877747 3.946575       1.497086  
1 1 1 -15 12 44 f 10.63531 1.556563  1.240930       0.3220881 0.7493649      0.4905058 1.613553       0.4270594 -4.081382      3.113127  
1 1 1 -15 12 45 o 17.57411 1.032955  3.115545       0.3597695 2.959292       0.5386690 3.241374       0.4833898 -0.8088150     2.065911  
1 1 1 -15 12 46 o 45.56039 0.7522630 20.70865       0.6833023 21.87350       1.016446  19.74818       0.9229736 2.324017       1.504526  
1 1 1 -15 12 47 o 38.83203 0.7555834 15.05288       0.5846306 15.75291       0.8724002 14.48223       0.7876631 1.627811       1.511167  
1 1 1 -15 12 48 o 18.69616 1.026197  3.499559       0.3821291 3.615660       0.5706638 3.405183       0.5145121 0.5550556      2.052393  
1 1 1 -15 12 49 o 24.35572 0.9009717 6.038022       0.4323954 5.228315       0.6392135 6.721093       0.5871035 -3.071188      1.801943  
1 1 1 -15 12 50 o 86.82251 1.041333  75.70937       1.808049  74.48585       2.537045  76.97210       2.577366  -1.425591      2.082665  
1 1 1 -15 12 51 o 28.11061 0.8588603 7.832988       0.4786893 8.651182       0.7382432 7.239420       0.6287907 2.495422       1.717721  
1 1 1 -15 12 52 o 45.52819 0.8083771 20.83298       0.7347251 19.68151       1.049381  21.94023       1.029034  -2.483475      1.616754  
1 1 1 -15 12 53 o 29.19643 1.023094  8.644849       0.5833653 8.944757       0.7556243 8.202353       0.9178399 1.301004       2.046188  
1 1 1 -15 12 54 o 29.94917 1.273165  9.183497       0.7464632 8.298864       1.147498  9.832471       0.9828421 -2.601000      2.546329  
1 1 1 -15 12 55 o 10.93358 2.377512  1.137431       0.5681523 1.722469       0.9258373 0.7840315      0.7195737 3.526523       4.755023  
1 1 1 -15 12 56 f 31.91680 1.267640  10.41466       0.7978472 9.325430       1.192107  11.29842       1.073797  -3.123699      2.535279  
1 1 1 -15 12 57 o 13.12686 3.841355  1.845026       1.072116  1.845026       1.072116  ?              ?         ?              ?         
1 1 1 -15 12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 13 1  o 236.1849 3.513093  559.5029       16.58078  547.7702       22.89466  572.4443       24.04516  -5.177689      7.026186  
1 1 1 -15 13 2  o 65.07877 1.165819  42.27312       1.515353  44.24427       2.214580  40.53761       2.078001  2.846046       2.331638  
1 1 1 -15 13 3  o 103.6098 1.636740  107.1346       3.383763  103.2350       4.600787  111.7294       4.994100  -4.092117      3.273480  
1 1 1 -15 13 4  o 275.0457 4.079322  760.3863       22.43908  756.8110       31.56369  764.0397       31.90638  -1.298706      8.158644  
1 1 1 -15 13 5  o 148.6265 1.580556  220.9834       4.696674  217.9442       6.541591  224.2169       6.747391  -2.106689      3.161113  
1 1 1 -15 13 6  o 77.78376 0.8926843 59.48694       1.371109  54.46808       1.776232  66.88670       2.156782  -7.979065      1.785369  
1 1 1 -15 13 7  f 115.7744 1.253578  134.0665       2.902032  135.7596       4.155899  132.4552       4.054179  1.425697       2.507157  
1 1 1 -15 13 8  o 52.31683 0.6828502 27.37296       0.7144629 27.53663       1.015907  27.21279       1.004988  0.3094101      1.365700  
1 1 1 -15 13 9  o 101.4380 1.119127  102.5920       2.264161  98.59081       3.068146  107.3766       3.355073  -4.327103      2.238254  
1 1 1 -15 13 10 o 163.6597 1.732380  267.7784       5.664757  261.3761       7.804943  274.9051       8.234672  -4.125000      3.464761  
1 1 1 -15 13 11 o 165.9188 1.757566  274.6885       5.816965  287.0894       8.608603  264.2687       7.891018  6.862885       3.515131  
1 1 1 -15 13 12 f 98.30678 1.090622  96.44807       2.140556  100.4390       3.141969  92.99133       2.924159  3.785248       2.181243  
1 1 1 -15 13 13 o 363.9122 3.794405  1330.387       27.61298  1341.865       39.43251  1319.343       38.67968  3.061249       7.588810  
1 1 1 -15 13 14 o 74.46927 1.264830  55.45675       1.883104  54.45809       2.619574  56.52467       2.708894  -1.386192      2.529661  
1 1 1 -15 13 15 f 214.3714 2.249873  460.1052       9.641639  452.5255       13.39185  468.2624       13.89260  -3.656631      4.499746  
1 1 1 -15 13 16 o 145.3236 1.550323  211.3502       4.505516  212.9824       6.426552  209.7726       6.318347  1.102219       3.100646  
1 1 1 -15 13 17 o 89.69530 1.012933  79.76444       1.805111  86.58502       2.750895  74.60678       2.392157  6.672211       2.025865  
1 1 1 -15 13 18 o 188.7142 2.153765  356.0428       8.018514  361.4528       12.44843  352.2063       10.48297  2.388107       4.307530  
1 1 1 -15 13 19 o 75.41650 0.8844621 55.80094       1.315760  63.44468       2.080276  50.70411       1.698707  8.441566       1.768924  
1 1 1 -15 13 20 o 189.5718 1.998916  359.9384       7.577173  364.1112       10.84943  355.9651       10.58687  2.140121       3.997832  
1 1 1 -15 13 21 o 87.64389 0.9953435 76.72353       1.742559  79.29947       2.542027  74.44003       2.393384  2.769791       1.990687  
1 1 1 -15 13 22 o 159.5268 1.695942  254.6899       5.407922  249.9329       7.498386  259.8463       7.806850  -3.097580      3.391885  
1 1 1 -15 13 23 o 104.3146 1.152823  108.8256       2.403781  110.9851       3.469762  106.8327       3.333265  1.987091       2.305645  
1 1 1 -15 13 24 o 192.4881 2.031879  370.9117       7.812133  360.9950       10.72640  382.1137       11.40043  -5.455246      4.063758  
1 1 1 -15 13 25 o 86.23385 0.9841000 74.40919       1.697209  74.67681       2.410711  74.14618       2.389855  0.3071747      1.968200  
1 1 1 -15 13 26 o 180.1687 1.907233  324.7281       6.859018  314.1089       9.355944  337.0676       10.08530  -6.334824      3.814466  
1 1 1 -15 13 27 f 80.67142 0.9372678 64.98252       1.509696  67.52384       2.213684  62.77280       2.064209  2.940544       1.874536  
1 1 1 -15 13 28 o 58.03289 0.7531264 33.64313       0.8730847 34.72982       1.272770  32.67730       1.199906  1.766632       1.506253  
1 1 1 -15 13 29 o 117.9387 1.586217  136.8784       3.443370  145.9379       6.335252  133.0800       4.102216  5.332314       3.172435  
1 1 1 -15 13 30 o 69.78708 1.172200  48.75982       1.635534  49.23116       2.348304  48.31580       2.279230  0.6528244      2.344399  
1 1 1 -15 13 31 o 74.85283 1.238867  55.76921       1.846856  52.35464       2.477000  60.04376       2.771428  -5.120583      2.477735  
1 1 1 -15 13 32 o 54.15293 1.008534  29.31769       1.091449  28.03607       1.509555  30.72161       1.579934  -2.476379      2.017068  
1 1 1 -15 13 33 o 57.19532 0.9222696 31.83332       0.9813217 30.36339       1.174697  35.22853       1.785296  -4.226620      1.844539  
1 1 1 -15 13 34 o 59.98945 1.541101  36.04895       1.848995  36.04895       1.848995  ?              ?         ?              ?         
1 1 1 -15 13 35 o 115.0516 1.577754  130.3167       3.325825  126.6667       3.948357  139.2323       6.170819  -5.274689      3.155509  
1 1 1 -15 13 36 o 63.55380 1.178720  40.39634       1.495948  41.94472       2.190303  39.04256       2.048035  2.273743       2.357440  
1 1 1 -15 13 37 f 35.28305 1.010828  12.41113       0.7111669 13.24796       1.056965  11.71891       0.9613103 2.160717       2.021655  
1 1 1 -15 13 38 o 76.39253 1.320116  58.44899       2.014602  56.32582       2.768667  60.83805       2.936927  -2.937721      2.640232  
1 1 1 -15 13 39 o 33.13047 1.037590  11.00007       0.6874410 11.00262       0.9795178 10.99759       0.9650213 0.6523132E-02  2.075179  
1 1 1 -15 13 40 o 62.16504 1.181296  38.34607       1.459516  35.09673       1.936223  42.62195       2.221115  -6.025475      2.362592  
1 1 1 -15 13 41 o 20.49556 1.315467  4.260460       0.5334817 3.643073       0.7682050 4.835546       0.7414215 -2.912117      2.630935  
1 1 1 -15 13 42 o 60.52977 1.170691  36.66580       1.415032  34.73389       1.937216  38.87563       2.071878  -3.406017      2.341381  
1 1 1 -15 13 43 o 39.59320 1.086967  15.74287       0.8600712 15.24026       1.226382  16.22932       1.206510  -1.251282      2.173934  
1 1 1 -15 13 44 o 41.22421 0.9803113 17.13607       0.7894210 16.60843       1.249109  17.48696       1.018636  -1.090118      1.960623  
1 1 1 -15 13 45 o 39.07049 0.9301102 15.01024       0.6607327 16.02690       1.242197  14.60911       0.7802672 1.764183       1.860220  
1 1 1 -15 13 46 o 39.33521 0.9401760 15.17347       0.6693673 16.34244       1.270573  14.72439       0.7875142 1.999256       1.880352  
1 1 1 -15 13 47 o 50.64658 0.9663238 26.28498       0.9209975 24.08253       1.563330  27.45571       1.139790  -3.384308      1.932648  
1 1 1 -15 13 48 o 31.48700 0.8738717 9.968679       0.5331330 9.847007       0.8664634 10.04281       0.6763118 -0.3343010     1.747743  
1 1 1 -15 13 49 o 24.41307 0.9483253 6.147855       0.4461961 4.317523       0.6365932 7.915428       0.6255841 -7.370287      1.896651  
1 1 1 -15 13 50 f 18.35986 1.102686  3.374308       0.4001886 3.488391       0.6192079 3.292475       0.5244311 0.5165806      2.205372  
1 1 1 -15 13 51 o 37.53539 0.8025744 14.17201       0.6008395 13.39532       0.8660637 14.89271       0.8342592 -1.999115      1.605149  
1 1 1 -15 13 52 o 15.40219 1.453503  2.397482       0.4477192 2.394032       0.6297733 2.401007       0.6366234 -0.2086830E-01 2.907005  
1 1 1 -15 13 53 o 25.84686 1.191859  6.734250       0.6159275 6.582315       0.8743715 6.883900       0.8677722 -0.5849209     2.383718  
1 1 1 -15 13 54 o 17.39142 1.792607  2.993048       0.6056902 3.442548       1.007525  2.738664       0.7579426 1.933361       3.585214  
1 1 1 -15 13 55 o 27.85410 1.324678  7.716268       0.7257410 8.534736       1.156388  7.184411       0.9321804 2.357500       2.649356  
1 1 1 -15 13 56 f 33.11912 1.256310  11.24594       0.8159684 10.06198       1.242813  12.14296       1.081780  -3.186750      2.512619  
1 1 1 -15 13 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 14 1  o 213.0168 3.179391  455.3781       13.54231  450.4597       18.91735  460.5481       19.39502  -2.347763      6.358783  
1 1 1 -15 14 2  f 24.97736 1.116079  6.214395       0.5563193 5.764951       0.7587067 6.737038       0.8181615 -1.945076      2.232159  
1 1 1 -15 14 3  o 88.71279 1.444756  78.74282       2.563051  79.73648       3.660052  77.78666       3.590355  1.097672       2.889512  
1 1 1 -15 14 4  f 122.7332 1.328780  149.7425       3.243733  141.9503       4.324079  159.7705       4.905375  -7.250061      2.657559  
1 1 1 -15 14 5  f 167.0773 1.767233  279.4482       5.905172  278.5680       8.319725  280.3419       8.382981  -0.5294952     3.534466  
1 1 1 -15 14 6  o 159.8856 1.694619  255.8760       5.418642  257.3131       7.708663  254.4723       7.618369  0.8865204      3.389238  
1 1 1 -15 14 7  o 95.68488 1.062588  91.29160       2.028350  87.61124       2.753037  95.66151       2.999873  -4.203407      2.125175  
1 1 1 -15 14 8  o 200.1024 2.105078  401.0121       8.424284  403.3588       11.97888  398.7157       11.84964  1.156815       4.210155  
1 1 1 -15 14 9  o 93.59604 1.041785  87.33688       1.945053  83.74235       2.638104  91.61819       2.879110  -4.204201      2.083570  
1 1 1 -15 14 10 f 89.25746 1.002705  79.02244       1.778240  85.41660       2.708393  74.17747       2.357571  6.291405       2.005410  
1 1 1 -15 14 11 o 101.4857 1.119163  102.9752       2.270456  101.0591       3.151557  105.0427       3.273747  -1.960846      2.238327  
1 1 1 -15 14 12 o 144.2948 1.540264  208.1425       4.440527  213.8081       6.456848  203.0581       6.116659  3.717941       3.080528  
1 1 1 -15 14 13 o 27.71125 0.6086364 7.598756       0.3354068 8.490148       0.5082309 6.910972       0.4464293 2.848812       1.217273  
1 1 1 -15 14 14 o 172.3562 1.823607  297.2347       6.281831  291.3995       8.692221  303.6144       9.088741  -3.532944      3.647214  
1 1 1 -15 14 15 o 17.47880 0.7495782 3.103146       0.2577973 2.548601       0.3732467 3.609021       0.3564912 -3.033634      1.499156  
1 1 1 -15 14 16 o 60.08448 0.7591519 35.96729       0.9099613 34.17969       1.234409  38.09481       1.346665  -3.256672      1.518304  
1 1 1 -15 14 17 o 263.3360 2.756115  695.4431       14.50806  683.6537       20.13159  708.1818       20.92649  -4.621826      5.512231  
1 1 1 -15 14 18 o 122.7586 1.330950  149.4923       3.244458  161.6179       4.956476  140.4012       4.291699  8.626854       2.661901  
1 1 1 -15 14 19 o 156.3610 1.663996  244.6228       5.200028  239.6724       7.194171  250.0388       7.524871  -3.305099      3.327993  
1 1 1 -15 14 20 o 26.86123 0.6277089 7.199636       0.3365568 7.478569       0.4949528 6.959750       0.4590039 0.9652996      1.255418  
1 1 1 -15 14 21 o 32.91373 0.6243160 10.55698       0.4055098 12.75202       0.6387857 9.075312       0.5248196 5.583851       1.248632  
1 1 1 -15 14 22 o 74.86397 0.8855908 55.69616       1.319705  52.40801       1.765049  59.86474       1.987354  -4.975716      1.771182  
1 1 1 -15 14 23 o 108.4734 1.194105  116.5097       2.568733  108.6389       3.378764  127.2899       3.954205  -8.580421      2.388209  
1 1 1 -15 14 24 o 47.28305 0.6821995 22.31980       0.6442495 23.19707       0.9415606 21.54751       0.8834282 1.743294       1.364399  
1 1 1 -15 14 25 o 109.2979 1.203599  118.9774       2.620287  113.0883       3.519155  126.3044       3.925320  -6.031471      2.407199  
1 1 1 -15 14 26 o 111.1041 1.503287  121.2056       3.070630  129.9971       5.669096  117.5555       3.652867  5.502586       3.006574  
1 1 1 -15 14 27 o 183.3578 2.747187  337.8621       10.05490  350.3338       14.77891  327.1141       13.71966  6.233597       5.494374  
1 1 1 -15 14 28 o 78.83720 1.281624  61.74332       2.007738  66.62856       3.055836  58.03276       2.663224  5.433624       2.563249  
1 1 1 -15 14 29 o 123.5720 1.890600  153.3079       4.671841  154.5898       6.673821  152.0761       6.542109  1.006958       3.781200  
1 1 1 -15 14 30 o 37.97369 0.7620680 14.66734       0.5681597 16.07892       0.7592587 12.87104       0.8564994 4.227070       1.524136  
1 1 1 -15 14 31 o 130.0152 1.409236  169.4761       3.664415  169.7812       5.193954  169.1736       5.170654  0.2321625      2.818472  
1 1 1 -15 14 32 f 96.84111 1.092590  93.93688       2.116149  93.69170       2.990605  94.18276       2.994772  -0.2533112     2.185180  
1 1 1 -15 14 33 o 91.83655 1.047902  84.47325       1.924666  83.97276       2.710156  84.98251       2.733775  -0.5484543     2.095804  
1 1 1 -15 14 34 o 85.84296 0.9944085 73.43524       1.701485  69.56911       2.294163  78.16158       2.536584  -4.991592      1.988817  
1 1 1 -15 14 35 o 34.44629 0.6735689 11.79252       0.4615265 12.63393       0.6978221 11.13830       0.6153278 2.167725       1.347138  
1 1 1 -15 14 36 o 49.13833 0.7193112 23.93554       0.7023792 26.20213       1.069777  22.21812       0.9312057 4.047306       1.438622  
1 1 1 -15 14 37 o 72.99926 0.8909895 53.33284       1.299801  54.32865       1.882615  52.42577       1.796780  1.297989       1.781979  
1 1 1 -15 14 38 o 61.41270 0.8019615 37.72731       0.9840732 38.58818       1.429117  36.95107       1.357057  1.328667       1.603923  
1 1 1 -15 14 39 o 24.34540 0.7763658 5.843032       0.3750632 6.850561       0.5725164 5.085526       0.4964236 3.620159       1.552732  
1 1 1 -15 14 40 o 10.75211 1.981296  1.227076       0.4611068 0.5729567      0.6802073 1.783250       0.6272180 -4.680095      3.962593  
1 1 1 -15 14 41 o 62.76843 0.8228943 39.47530       1.032954  38.97219       1.462570  39.97599       1.459071  -0.7998924     1.645789  
1 1 1 -15 14 42 o 24.43673 0.8206803 5.869692       0.3972198 6.916959       0.6144019 5.117590       0.5206699 3.673635       1.641361  
1 1 1 -15 14 43 o 33.89019 0.7451084 11.49963       0.5016750 9.790941       0.6950860 13.35752       0.7247977 -5.259539      1.490217  
1 1 1 -15 14 44 o 49.21922 0.7566808 24.24081       0.7437419 24.81212       1.086957  23.73785       1.019866  1.085274       1.513362  
1 1 1 -15 14 45 f 7.949918 1.727895  0.6330615      0.3237342 0.2492121      0.4963993 0.9171470      0.4270465 -2.794068      3.455789  
1 1 1 -15 14 46 o 50.91122 0.7796389 25.78137       0.7893108 27.78379       1.196119  24.23680       1.050510  3.468113       1.559278  
1 1 1 -15 14 47 o 83.82267 1.010655  70.52174       1.693651  71.47992       2.435698  69.62477       2.356627  1.095306       2.021311  
1 1 1 -15 14 48 f 46.22907 0.7861367 21.43741       0.7264546 20.91047       1.035616  21.94787       1.019302  -1.123898      1.572273  
1 1 1 -15 14 49 o 11.19417 1.810360  1.322075       0.3965636 1.303524       0.5690293 1.339594       0.5529667 -0.1608286     3.620719  
1 1 1 -15 14 50 o 35.69134 1.008682  13.07003       0.6890191 13.82128       0.8721009 11.82217       1.123976  2.844261       2.017365  
1 1 1 -15 14 51 o 40.38410 1.009888  16.07608       0.7682703 15.48506       0.9323214 17.32649       1.356095  -2.204647      2.019775  
1 1 1 -15 14 52 o 36.03092 1.450581  13.05556       1.045315  13.05556       1.045315  ?              ?         ?              ?         
1 1 1 -15 14 53 f 46.34742 1.739137  21.66462       1.612090  21.66462       1.612090  ?              ?         ?              ?         
1 1 1 -15 14 54 o 7.957183 3.431305  -0.4139844E-01 0.9937976 -0.4139844E-01 0.9937976 ?              ?         ?              ?         
1 1 1 -15 14 55 o 13.50447 3.742540  1.963948       1.045089  1.963948       1.045089  ?              ?         ?              ?         
1 1 1 -15 14 56 f 32.82520 2.955231  11.09463       1.940121  11.09463       1.940121  ?              ?         ?              ?         
1 1 1 -15 14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 15 1  o 123.7275 1.915017  153.3388       4.738769  153.7100       6.717499  152.9710       6.685876  0.2976685      3.830035  
1 1 1 -15 15 2  o 149.4563 2.271289  223.7519       6.785664  219.8350       9.416713  227.9826       9.786734  -2.712357      4.542579  
1 1 1 -15 15 3  o 89.68452 1.463935  80.42817       2.623664  78.62284       3.622773  82.41943       3.804755  -2.112442      2.927871  
1 1 1 -15 15 4  o 94.12064 1.046249  88.54497       1.968007  86.55515       2.720593  90.72904       2.850299  -2.215195      2.092497  
1 1 1 -15 15 5  o 76.91435 0.8854971 58.87888       1.357205  62.58961       2.026946  55.86312       1.827299  4.369965       1.770994  
1 1 1 -15 15 6  o 173.5574 1.834369  300.4305       6.345355  287.7513       8.558202  315.9102       9.456224  -8.086746      3.668739  
1 1 1 -15 15 7  o 127.7313 1.376864  163.0777       3.513653  158.9779       4.837292  167.6568       5.112208  -3.391441      2.753727  
1 1 1 -15 15 8  o 135.4514 1.451784  183.3993       3.928579  188.5370       5.719208  178.8094       5.405735  3.583725       2.903569  
1 1 1 -15 15 9  o 64.23878 0.7873037 40.82663       1.003763  44.85310       1.539704  37.85056       1.323722  5.447739       1.574607  
1 1 1 -15 15 10 o 78.11143 0.9028178 60.17147       1.395791  66.93224       2.171571  55.41209       1.822012  7.369186       1.805636  
1 1 1 -15 15 11 o 153.0351 1.628823  234.4420       4.984685  232.3809       6.981967  236.5846       7.118844  -1.369904      3.257646  
1 1 1 -15 15 12 o 240.9008 2.525033  581.3277       12.15343  596.8420       17.66843  567.3945       16.74392  6.074173       5.050066  
1 1 1 -15 15 13 o 171.9450 2.592451  296.5036       8.913411  293.1959       12.45745  299.9732       12.75889  -1.957932      5.184903  
1 1 1 -15 15 14 o 159.0316 1.689560  253.2529       5.373825  252.6439       7.580877  253.8679       7.618734  -0.3837738     3.379120  
1 1 1 -15 15 15 o 116.2328 1.266048  135.2042       2.943059  135.8691       4.179276  134.5502       4.145160  0.5665817      2.532095  
1 1 1 -15 15 16 o 100.4208 1.113936  100.8640       2.236448  99.28554       3.113040  102.5475       3.215055  -1.622017      2.227872  
1 1 1 -15 15 17 o 173.8848 1.841105  302.0913       6.387562  314.7849       9.431095  291.3340       8.682074  6.715347       3.682209  
1 1 1 -15 15 18 o 130.9100 1.410759  171.3663       3.689840  167.1097       5.081496  176.1139       5.366614  -3.430420      2.821518  
1 1 1 -15 15 19 o 90.76635 1.024773  82.41106       1.859741  83.58832       2.669555  81.30096       2.592287  1.258240       2.049546  
1 1 1 -15 15 20 o 43.09782 0.6510919 18.52030       0.5602995 17.28652       0.7686534 19.91915       0.8184555 -3.053478      1.302184  
1 1 1 -15 15 21 f 78.91683 0.9186034 62.29895       1.449619  61.38324       2.027309  63.25698       2.073617  -1.186081      1.837207  
1 1 1 -15 15 22 o 64.64375 0.8597999 41.96273       1.107457  39.39560       1.604006  44.30124       1.530912  -3.796104      1.719600  
1 1 1 -15 15 23 o 124.5063 1.745247  154.2731       4.220919  160.1987       6.898583  150.7273       5.336372  3.720757       3.490495  
1 1 1 -15 15 24 o 102.4897 1.591001  104.8166       3.249048  110.5178       4.852673  100.1843       4.374185  5.016342       3.182002  
1 1 1 -15 15 25 o 118.0966 1.808533  139.7979       4.269201  136.8927       5.917832  142.9508       6.164866  -2.549736      3.617065  
1 1 1 -15 15 26 o 61.65958 0.9328628 38.27826       1.110040  38.93637       1.403438  37.17865       1.814121  1.438908       1.865726  
1 1 1 -15 15 27 o 125.0073 1.359031  156.5975       3.397768  156.3405       4.798637  156.8559       4.811728  -0.2054596     2.718061  
1 1 1 -15 15 28 o 52.23536 0.7162064 27.29270       0.7479565 27.65943       1.074952  26.94851       1.041386  0.6794357      1.432413  
1 1 1 -15 15 29 o 46.54269 0.6899594 21.67196       0.6420355 21.80793       0.9212492 21.54356       0.8952591 0.2831879      1.379919  
1 1 1 -15 15 30 o 72.48340 0.8737531 52.50562       1.264966  54.20796       1.847172  51.00224       1.735875  2.206680       1.747506  
1 1 1 -15 15 31 o 38.79846 0.8859164 14.76958       0.6789932 17.01683       1.067395  13.24215       0.8799934 4.855949       1.771833  
1 1 1 -15 15 32 o 89.48174 1.025864  80.12269       1.834498  82.02093       2.657934  78.39575       2.535163  2.018867       2.051728  
1 1 1 -15 15 33 o 28.02201 0.6928290 7.704334       0.3843016 9.031940       0.5972596 6.766335       0.5020300 4.038851       1.385658  
1 1 1 -15 15 34 o 104.1588 1.164539  108.7378       2.425833  107.9460       3.411191  109.5479       3.450436  -0.7661514     2.329077  
1 1 1 -15 15 35 o 33.05459 0.6820364 10.96254       0.4497927 10.32446       0.6454209 11.56506       0.6271773 -1.877449      1.364073  
1 1 1 -15 15 36 o 42.71669 0.7059091 18.13150       0.6004274 16.00705       0.8136161 20.67213       0.8897469 -5.456734      1.411818  
1 1 1 -15 15 37 o 37.90665 0.6953017 14.31771       0.5245170 15.02173       0.7890574 13.76031       0.7020934 1.659252       1.390603  
1 1 1 -15 15 38 o 64.46498 0.8284554 41.46572       1.064722  43.53084       1.583332  39.76101       1.438548  2.913944       1.656911  
1 1 1 -15 15 39 o 58.69215 0.7923748 34.50993       0.9298900 34.08186       1.324725  34.92574       1.305609  -0.7202606     1.584750  
1 1 1 -15 15 40 o 48.05836 0.7391530 23.00145       0.7076044 24.54735       1.059897  21.75837       0.9504356 2.893559       1.478306  
1 1 1 -15 15 41 o 49.03161 0.7497844 24.06166       0.7342889 24.44369       1.069820  23.72137       1.009671  0.7318459      1.499569  
1 1 1 -15 15 42 o 24.21153 0.8228489 5.568639       0.3878382 7.645811       0.6355562 4.336178       0.4895582 6.821461       1.645698  
1 1 1 -15 15 43 o 25.27201 0.8337110 6.514613       0.4139790 5.498104       0.6116825 7.373724       0.5623350 -3.715729      1.667422  
1 1 1 -15 15 44 o 25.02637 0.8292656 6.226198       0.4123494 6.725928       0.6279876 5.847437       0.5467221 1.746399       1.658531  
1 1 1 -15 15 45 o 73.77339 0.9221526 54.35762       1.355483  57.31573       2.024945  51.95599       1.824562  3.607491       1.844305  
1 1 1 -15 15 46 o 86.35295 1.029801  74.86127       1.777862  75.71937       2.555146  74.05596       2.475307  0.9514923      2.059602  
1 1 1 -15 15 47 o 27.55563 0.8464081 7.363566       0.4586517 9.374929       0.7278810 6.039060       0.5906666 6.035948       1.692816  
1 1 1 -15 15 48 o 58.74480 0.8328848 34.50684       0.9755463 35.97286       1.448340  33.28938       1.319855  2.266872       1.665770  
1 1 1 -15 15 49 f 7.506068 1.891087  0.4768319      0.3528246 0.6049044      0.5601864 0.3926210      0.4542437 1.207345       3.782173  
1 1 1 -15 15 50 f 35.64387 0.8740284 12.62597       0.6190675 11.68444       0.8206206 13.86949       0.9430864 -3.046154      1.748057  
1 1 1 -15 15 51 o 55.02904 1.047171  30.51969       1.148561  33.49043       1.627141  27.56952       1.621494  5.378693       2.094342  
1 1 1 -15 15 52 o 55.39300 1.174116  30.95686       1.297302  30.41468       1.895646  31.43448       1.779209  -0.9477654     2.348232  
1 1 1 -15 15 53 o 41.66121 1.151459  17.57507       0.9530072 16.75967       1.412510  18.25639       1.291161  -1.827076      2.302917  
1 1 1 -15 15 54 o 32.88428 1.226982  10.94392       0.7918056 10.76496       1.240432  11.06698       1.028636  -0.5163727     2.453964  
1 1 1 -15 15 55 o 31.13700 1.309096  9.950453       0.7983479 8.974889       1.224333  10.67209       1.053006  -2.777784      2.618192  
1 1 1 -15 15 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 16 1  o 90.85678 1.481475  82.61412       2.691025  81.27734       3.744109  84.04260       3.870400  -1.517952      2.962950  
1 1 1 -15 16 2  o 84.87209 1.406951  71.81596       2.380973  68.52840       3.218878  75.78796       3.538126  -4.267883      2.813902  
1 1 1 -15 16 3  o 61.27589 0.7502763 37.19723       0.9135901 40.70962       1.391342  34.53500       1.211309  5.035774       1.500553  
1 1 1 -15 16 4  f 166.6633 1.765815  278.1589       5.884690  281.4304       8.426419  275.0443       8.221769  1.909042       3.531629  
1 1 1 -15 16 5  o 95.63303 1.064958  91.17447       2.031241  95.86207       3.011471  87.26175       2.751340  4.491371       2.129916  
1 1 1 -15 16 6  o 131.9730 1.420039  173.5621       3.734207  183.1578       5.577095  165.7644       5.027497  6.575302       2.840077  
1 1 1 -15 16 7  o 24.03552 0.5868257 5.770319       0.2817662 5.931991       0.4104648 5.626243       0.3874829 0.6357841      1.173651  
1 1 1 -15 16 8  o 174.0649 1.841259  303.4078       6.407789  307.9251       9.206823  299.1641       8.923769  2.506851       3.682518  
1 1 1 -15 16 9  o 128.6708 1.388240  164.6307       3.552721  155.9438       4.734969  175.8211       5.374118  -7.707245      2.776481  
1 1 1 -15 16 10 o 111.5691 1.220301  124.2939       2.718009  120.1407       3.711552  129.0970       3.991376  -4.007156      2.440601  
1 1 1 -15 16 11 o 41.15094 0.6318336 16.12586       0.5063244 20.80887       0.8411497 13.46486       0.6340634 8.920635       1.263667  
1 1 1 -15 16 12 o 37.86586 0.6271405 14.34066       0.4749206 14.25919       0.6676430 14.42411       0.6757078 -0.2176590     1.254281  
1 1 1 -15 16 13 o 20.24767 0.6600755 4.074017       0.2663385 4.426177       0.3977526 3.787772       0.3586015 1.575935       1.320151  
1 1 1 -15 16 14 o 56.81754 0.7374153 32.15183       0.8357993 34.26530       1.237617  30.37974       1.133262  3.417641       1.474831  
1 1 1 -15 16 15 o 103.7463 1.146305  107.7177       2.378394  108.3710       3.382746  107.0791       3.344691  0.6216507      2.292609  
1 1 1 -15 16 16 o 201.2717 2.120905  405.4805       8.522671  419.8411       12.50275  393.0155       11.64831  6.621338       4.241810  
1 1 1 -15 16 17 o 62.50392 0.7802143 38.95786       0.9731025 40.88977       1.436387  37.31905       1.322951  2.854221       1.560429  
1 1 1 -15 16 18 o 27.96037 0.6498545 7.652883       0.3550702 5.631979       0.4689944 10.36680       0.5434922 -8.465765      1.299709  
1 1 1 -15 16 19 o 99.33307 1.342461  98.80573       2.525386  98.83390       4.335560  98.79126       3.106853  -0.2448273E-01 2.684921  
1 1 1 -15 16 20 f 90.02821 1.414593  80.90863       2.539726  84.74301       3.767103  77.71356       3.438745  3.889915       2.829185  
1 1 1 -15 16 21 o 99.83288 1.551495  98.24738       3.058887  90.23315       3.964997  110.0297       4.807589  -9.872574      3.102989  
1 1 1 -15 16 22 o 86.47617 1.372858  73.64392       2.342468  82.51250       3.695130  67.68526       3.028842  8.542343       2.745715  
1 1 1 -15 16 23 o 81.43437 1.139565  65.99245       1.750929  65.18869       2.139556  67.62222       3.046660  -1.458923      2.279131  
1 1 1 -15 16 24 o 113.5001 1.246236  129.0220       2.828726  128.2001       3.970386  129.8692       4.031153  -0.7324829     2.492473  
1 1 1 -15 16 25 o 97.67509 1.095336  95.18907       2.133681  100.0116       3.164493  91.16902       2.889222  4.513992       2.190672  
1 1 1 -15 16 26 o 54.19627 0.7287357 29.39056       0.7898603 29.00324       1.113177  29.78329       1.120926  -0.7193947     1.457471  
1 1 1 -15 16 27 o 41.90093 0.6644940 17.29562       0.5521325 19.75256       0.8509844 15.50942       0.7255878 5.059494       1.328988  
1 1 1 -15 16 28 o 64.22189 0.8070725 40.99582       1.032271  38.29273       1.384324  44.38142       1.549266  -4.733974      1.614145  
1 1 1 -15 16 29 o 48.68753 0.9434405 23.22533       0.9055451 26.75683       1.436152  20.89469       1.166699  6.007225       1.886881  
1 1 1 -15 16 30 o 109.1828 1.209174  118.9213       2.630691  125.6502       3.928552  113.4512       3.542105  5.561531       2.418348  
1 1 1 -15 16 31 o 42.97951 0.6839181 18.40719       0.5859735 19.42486       0.8722676 17.57019       0.7910553 2.154556       1.367836  
1 1 1 -15 16 32 o 63.19003 0.8056836 39.45102       1.009363  43.89541       1.557765  36.23470       1.325184  6.050549       1.611367  
1 1 1 -15 16 33 o 92.72781 1.058815  86.16502       1.963571  86.21712       2.788345  86.11378       2.765612  0.5412292E-01  2.117630  
1 1 1 -15 16 34 o 57.33456 0.7708253 32.91165       0.8837464 32.89397       1.261389  32.92870       1.238537  -0.3153610E-01 1.541651  
1 1 1 -15 16 35 o 43.44724 0.7058127 18.83349       0.6116547 19.70658       0.9058807 18.10194       0.8292154 1.842770       1.411625  
1 1 1 -15 16 36 o 62.97305 0.8122256 39.63557       1.021920  37.83152       1.407790  41.64508       1.485789  -3.022854      1.624451  
1 1 1 -15 16 37 o 18.77003 0.8970961 3.568054       0.3314098 3.286797       0.5043603 3.781764       0.4396447 -1.323418      1.794192  
1 1 1 -15 16 38 o 38.86530 0.7035668 15.16074       0.5455858 14.27904       0.7824924 15.99488       0.7611017 -2.208820      1.407134  
1 1 1 -15 16 39 o 17.58598 1.506160  3.180741       0.5173861 2.698528       0.7818206 3.556468       0.6901187 -2.453238      3.012320  
1 1 1 -15 16 40 o 75.06107 0.9194821 56.47522       1.379909  56.84351       1.979309  56.12695       1.924804  0.4720078      1.838964  
1 1 1 -15 16 41 f 45.78074 0.7353458 20.97318       0.6721005 21.35017       0.9838512 20.64330       0.9203140 0.7667122      1.470692  
1 1 1 -15 16 42 o 46.09896 0.7476723 21.26681       0.6874312 21.62185       1.014195  20.96507       0.9349783 0.7051315      1.495345  
1 1 1 -15 16 43 o 59.53081 0.8183143 35.45156       0.9724302 36.69278       1.428856  34.38067       1.327210  1.931023       1.636629  
1 1 1 -15 16 44 f 32.39216 0.7767705 10.48242       0.5000837 10.81492       0.7554546 10.22307       0.6671913 0.9042397      1.553541  
1 1 1 -15 16 45 o 63.21777 0.8522995 40.07898       1.077439  39.09528       1.516468  41.08175       1.531096  -1.569347      1.704599  
1 1 1 -15 16 46 o 65.91412 0.8750443 43.25955       1.147054  46.56253       1.737267  40.70671       1.527300  4.414963       1.750089  
1 1 1 -15 16 47 o 52.90669 0.8048443 28.01796       0.8491614 28.78103       1.256420  27.37630       1.152136  1.313976       1.609689  
1 1 1 -15 16 48 o 57.84945 0.8327115 33.58627       0.9624653 33.45670       1.391313  33.70517       1.332832  -0.2233009     1.665423  
1 1 1 -15 16 49 o 21.10891 1.108028  4.482522       0.4677442 4.407888       0.6568466 4.559303       0.6662338 -0.3568096     2.216056  
1 1 1 -15 16 50 o 52.02976 1.032289  27.30010       1.070990  29.28657       1.500514  25.23720       1.529109  3.896946       2.064577  
1 1 1 -15 16 51 f 29.75090 1.217801  8.993986       0.7090870 8.571919       1.109971  9.285000       0.9216764 -1.243778      2.435603  
1 1 1 -15 16 52 o 27.56433 1.316058  7.913599       0.7031893 6.181073       1.047338  9.335628       0.9488583 -5.749939      2.632116  
1 1 1 -15 16 53 o 25.92583 1.364560  6.954521       0.6867671 6.033255       1.065605  7.609045       0.8981851 -3.088535      2.729121  
1 1 1 -15 16 54 o 20.40732 1.681914  4.385040       0.6515288 3.730632       1.058567  4.784120       0.8266549 -2.670185      3.363829  
1 1 1 -15 16 55 o 45.87083 1.204133  20.97962       1.089383  22.88961       1.715656  19.68933       1.410131  3.395786       2.408265  
1 1 1 -15 16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 17 1  o 18.39079 1.399410  3.446597       0.5040717 4.157521       0.7031676 2.695058       0.7229749 3.976761       2.798819  
1 1 1 -15 17 2  o 92.46357 1.515789  85.62196       2.802897  86.42711       3.993755  84.84045       3.934694  0.8557892      3.031577  
1 1 1 -15 17 3  o 46.65116 0.8619844 20.83756       0.6963698 23.65868       1.435050  19.96864       0.7964237 3.941875       1.723969  
1 1 1 -15 17 4  o 89.60027 1.008342  80.32790       1.806750  79.75620       2.532740  80.92027       2.578126  -0.6484985     2.016685  
1 1 1 -15 17 5  f 181.9762 1.923631  331.6125       6.994704  340.0329       10.15546  324.0125       9.648043  4.378662       3.847262  
1 1 1 -15 17 6  o 223.0648 2.345756  499.3638       10.46435  496.0062       14.69274  502.8201       14.90724  -1.515472      4.691512  
1 1 1 -15 17 7  o 133.6522 1.436404  178.8251       3.838685  181.0967       5.500161  176.6678       5.359992  1.652130       2.872808  
1 1 1 -15 17 8  o 98.87868 1.097224  97.77229       2.168574  99.99397       3.132351  95.72723       3.005249  2.154243       2.194448  
1 1 1 -15 17 9  f 126.6803 1.367704  160.6826       3.465223  160.6944       4.901009  160.6708       4.900121  0.9277344E-02  2.735407  
1 1 1 -15 17 10 f 137.5287 1.476243  189.0330       4.053636  183.0970       5.542298  195.8611       5.944191  -4.626129      2.952487  
1 1 1 -15 17 11 f 72.09624 0.8587927 52.00572       1.238311  52.05782       1.749761  51.95345       1.752716  0.7244873E-01  1.717585  
1 1 1 -15 17 12 o 19.23092 0.6748427 3.712237       0.2586637 3.446831       0.3718355 3.961100       0.3600601 -1.337290      1.349685  
1 1 1 -15 17 13 o 129.5126 1.398504  167.1933       3.608677  176.6564       5.393790  159.5248       4.855437  6.593910       2.797009  
1 1 1 -15 17 14 o 48.79425 0.6839619 23.69433       0.6652379 25.29825       0.9915482 22.38141       0.8971028 2.987125       1.367924  
1 1 1 -15 17 15 o 145.8538 1.565055  212.2724       4.548976  223.2045       6.785694  203.3494       6.130527  6.776733       3.130110  
1 1 1 -15 17 16 f 161.5636 2.216861  262.0568       7.022684  262.5248       11.08634  261.7432       9.075808  0.1067352      4.433723  
1 1 1 -15 17 17 o 179.7636 2.689179  323.1859       9.615058  344.2962       14.53742  306.7701       12.81952  10.29016       5.378358  
1 1 1 -15 17 18 o 78.11111 1.257004  60.33425       1.946436  55.65106       2.554976  66.81139       3.004746  -7.125183      2.514007  
1 1 1 -15 17 19 o 83.72618 1.159508  70.32399       1.854894  70.64495       2.307490  69.73779       3.118402  0.5731049      2.319015  
1 1 1 -15 17 20 o 69.52312 0.8444067 48.33612       1.173516  47.41251       1.628453  49.33395       1.692610  -1.379997      1.688813  
1 1 1 -15 17 21 o 203.8985 2.153337  417.6004       8.778306  423.7289       12.61075  411.8394       12.22695  2.885010       4.306673  
1 1 1 -15 17 22 o 43.73803 0.6610159 19.13159       0.5780531 18.48224       0.8090420 19.80878       0.8262092 -1.515999      1.322032  
1 1 1 -15 17 23 o 89.91246 1.022755  80.90839       1.838533  79.54739       2.559557  82.35912       2.642586  -1.559883      2.045510  
1 1 1 -15 17 24 o 132.5801 1.433999  176.2329       3.802335  176.7517       5.395346  175.7210       5.359462  0.3863983      2.867998  
1 1 1 -15 17 25 o 49.71307 0.7033314 24.62164       0.6972860 26.12885       1.035134  23.36959       0.9434531 2.772182       1.406663  
1 1 1 -15 17 26 o 175.7860 1.870378  309.2077       6.552682  325.2593       9.768663  296.0771       8.835263  8.215515       3.740757  
1 1 1 -15 17 27 o 88.55251 1.410393  78.24702       2.487581  82.83122       3.726605  74.56274       3.340863  4.640701       2.820786  
1 1 1 -15 17 28 o 69.75427 0.8528780 48.01754       1.177897  53.52877       1.830026  44.11936       1.539091  6.731369       1.705756  
1 1 1 -15 17 29 o 34.03255 0.6572410 11.53523       0.4458152 12.22920       0.6647372 10.96791       0.6010222 1.850742       1.314482  
1 1 1 -15 17 30 o 52.95723 0.7336655 27.85833       0.7731272 30.13286       1.167129  26.07990       1.032027  3.820816       1.467331  
1 1 1 -15 17 31 o 41.66750 0.6806862 17.02750       0.5602176 19.62618       0.8811070 15.26411       0.7258163 5.227478       1.361372  
1 1 1 -15 17 32 o 35.03726 0.6690571 12.27209       0.4680371 12.53029       0.6851000 12.04612       0.6409158 0.6888542      1.338114  
1 1 1 -15 17 33 o 53.41995 0.7428020 28.24456       0.7878410 31.23892       1.206275  26.01712       1.040390  4.878811       1.485604  
1 1 1 -15 17 34 o 26.72760 0.7176307 7.157816       0.3810454 7.097907       0.5717089 7.205701       0.5111253 -0.2050133     1.435261  
1 1 1 -15 17 35 o 38.71867 0.6832023 14.90524       0.5262578 15.97372       0.7950952 14.07222       0.7020426 2.450230       1.366405  
1 1 1 -15 17 36 f 9.779466 1.483781  1.007590       0.2823671 0.8388494      0.4407914 1.125024       0.3677219 -1.614233      2.967562  
1 1 1 -15 17 37 o 25.32685 0.7590830 6.318343       0.3809053 7.232764       0.5899831 5.664756       0.4987903 3.088703       1.518166  
1 1 1 -15 17 38 o 12.80852 1.237402  1.581316       0.3101507 2.118558       0.4960086 1.236399       0.3974304 3.430927       2.474805  
1 1 1 -15 17 39 f 25.70242 0.7878312 6.680875       0.4006334 6.084695       0.5950781 7.175120       0.5418216 -2.125786      1.575662  
1 1 1 -15 17 40 o 12.40678 1.282308  1.487016       0.3116794 1.886100       0.5057919 1.242699       0.3957464 2.576418       2.564616  
1 1 1 -15 17 41 o 43.61872 0.7325811 19.07433       0.6378481 18.85495       0.9285229 19.27037       0.8777259 -0.4808502     1.465162  
1 1 1 -15 17 42 o 44.23301 0.7468510 19.57562       0.6592404 17.81199       0.9140512 21.48754       0.9517015 -4.151009      1.493702  
1 1 1 -15 17 43 o 33.37957 0.7625886 11.22162       0.5056446 10.61939       0.7480338 11.72832       0.6861466 -1.667526      1.525177  
1 1 1 -15 17 44 o 58.42518 0.8197672 34.23532       0.9576747 33.41637       1.355464  35.05161       1.353251  -1.399693      1.639534  
1 1 1 -15 17 45 o 61.62810 0.8455717 37.85952       1.036986  40.35554       1.563454  35.89897       1.385634  3.593319       1.691143  
1 1 1 -15 17 46 o 24.19509 0.8895996 5.723332       0.4242776 6.826896       0.6731511 4.995984       0.5464938 3.764978       1.779199  
1 1 1 -15 17 47 o 41.67013 0.7832832 17.46201       0.6502005 15.66972       0.9192913 19.25610       0.9197536 -4.303226      1.566566  
1 1 1 -15 17 48 o 18.96359 1.180499  3.621666       0.4476935 3.583735       0.6347637 3.659210       0.6315173 -0.1996841     2.360999  
1 1 1 -15 17 49 o 28.41809 1.012225  8.004207       0.5699177 7.316715       0.7462699 8.966245       0.8827928 -2.875942      2.024451  
1 1 1 -15 17 50 o 20.06418 1.611952  4.464651       0.5863479 2.916729       0.9436122 5.438272       0.7483660 -6.341860      3.223905  
1 1 1 -15 17 51 o 43.42189 1.110878  18.65282       0.9494433 20.91551       1.511631  17.17862       1.220146  4.231232       2.221756  
1 1 1 -15 17 52 o 43.32632 1.140478  18.91253       0.9805958 19.01914       1.483540  18.82981       1.306764  0.1740227      2.280957  
1 1 1 -15 17 53 o 33.82322 1.201997  11.15069       0.7891268 13.19592       1.321027  10.01596       0.9839801 4.605337       2.403995  
1 1 1 -15 17 54 o 20.45594 1.576700  4.205812       0.6250567 4.470329       1.031991  4.052550       0.7855351 0.9237251      3.153400  
1 1 1 -15 17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 18 1  o 45.01107 0.6296749 20.26790       0.5668262 20.46596       0.8015655 20.06980       0.8016611 0.4400711      1.259350  
1 1 1 -15 18 2  o 81.74548 0.9369667 66.84686       1.531435  68.12064       2.197552  65.64417       2.135339  1.512856       1.873933  
1 1 1 -15 18 3  o 95.70135 1.066256  91.46754       2.037323  95.17455       2.989465  88.25275       2.783925  3.609406       2.132513  
1 1 1 -15 18 4  f 31.80462 0.8506770 10.49941       0.4558292 10.84776       0.5242959 9.420782       0.9225678 2.253399       1.701354  
1 1 1 -15 18 5  o 39.65761 1.009681  15.74250       0.8007641 15.95298       1.131307  15.53116       1.133600  0.5318985      2.019362  
1 1 1 -15 18 6  o 31.33835 1.058168  9.812209       0.6625718 9.277606       0.9157579 10.39951       0.9598310 -1.788538      2.116336  
1 1 1 -15 18 7  o 64.52695 1.187793  41.18709       1.522008  45.96285       2.328303  37.62351       2.011230  6.450211       2.375586  
1 1 1 -15 18 8  o 123.3961 1.638831  154.4721       3.878455  145.9104       6.380729  159.4889       4.884333  -5.577316      3.277662  
1 1 1 -15 18 9  o 81.53385 0.9397037 66.36790       1.529495  64.03183       2.087424  69.07599       2.247501  -3.088547      1.879407  
1 1 1 -15 18 10 o 77.63304 0.9038182 60.19179       1.401344  58.14366       1.920737  62.52279       2.049083  -2.816704      1.807636  
1 1 1 -15 18 11 o 94.68987 1.402042  89.57234       2.583042  88.75300       3.284647  90.90026       4.181580  -1.093338      2.804085  
1 1 1 -15 18 12 o 71.19912 1.027207  49.83801       1.367223  53.26847       2.446171  48.27948       1.648808  3.476883       2.054415  
1 1 1 -15 18 13 o 74.44452 1.201303  55.29189       1.783396  58.05340       2.646552  52.99493       2.413704  3.388138       2.402605  
1 1 1 -15 18 14 o 80.98589 1.288740  65.37581       2.079333  69.14159       3.109303  62.32914       2.796714  4.192360       2.577480  
1 1 1 -15 18 15 o 51.90289 0.9330992 26.81840       0.9658415 25.05152       1.307248  28.94230       1.433243  -3.744110      1.866198  
1 1 1 -15 18 16 o 102.5746 1.363409  106.7346       2.714753  111.3881       3.488922  99.59351       4.321945  5.788666       2.726818  
1 1 1 -15 18 17 o 122.8344 1.336049  151.0231       3.279726  147.7847       4.532713  154.5816       4.751483  -2.755905      2.672098  
1 1 1 -15 18 18 o 75.13051 0.8892459 55.58987       1.320994  62.42686       2.065948  50.86129       1.718113  7.684731       1.778492  
1 1 1 -15 18 19 o 146.3889 1.570446  214.9292       4.597872  214.4726       6.485550  215.3906       6.519330  -0.3113098     3.140892  
1 1 1 -15 18 20 f 46.96934 0.6870018 21.69954       0.6386866 24.71435       0.9945047 19.58327       0.8332246 5.457253       1.374004  
1 1 1 -15 18 21 o 180.2116 1.914014  326.2776       6.898445  327.2663       9.788306  325.3019       9.723763  0.5394440      3.828028  
1 1 1 -15 18 22 o 31.24068 0.6550509 9.619260       0.4045852 7.796782       0.5398214 11.95503       0.6111307 -6.653025      1.310102  
1 1 1 -15 18 23 o 47.32970 0.6907136 22.25572       0.6509510 24.11254       0.9783130 20.78053       0.8719996 3.516457       1.381427  
1 1 1 -15 18 24 o 33.25665 0.8300034 11.08915       0.5511131 10.46604       0.7856683 11.69274       0.7732629 -1.844807      1.660007  
1 1 1 -15 18 25 o 82.16998 0.9581432 67.19624       1.567452  71.83195       2.356756  63.51912       2.098991  5.045288       1.916286  
1 1 1 -15 18 26 o 52.63453 0.7307624 27.71836       0.7691358 28.17445       1.100206  27.28241       1.075654  0.8464241      1.461525  
1 1 1 -15 18 27 o 39.44382 0.6684974 15.57475       0.5270929 15.00912       0.7457260 16.13947       0.7451183 -1.432884      1.336995  
1 1 1 -15 18 28 o 79.93007 0.9409552 63.85473       1.502189  61.60944       2.060246  66.40330       2.194982  -2.991203      1.881910  
1 1 1 -15 18 29 o 50.91145 0.7208487 25.77338       0.7308321 27.76613       1.097476  24.18559       0.9796383 3.510818       1.441697  
1 1 1 -15 18 30 o 60.47884 0.7897456 36.59023       0.9548353 35.45993       1.327114  37.80327       1.374832  -1.934673      1.579491  
1 1 1 -15 18 31 o 102.5426 1.149812  105.4267       2.358089  105.2453       3.336173  105.6078       3.333512  -0.1769714     2.299624  
1 1 1 -15 18 32 o 45.95337 0.7070635 21.12356       0.6490667 21.46118       0.9442962 20.82120       0.8936355 0.6935959      1.414127  
1 1 1 -15 18 33 o 50.71192 0.7295280 25.73177       0.7392470 26.13497       1.071824  25.36595       1.020938  0.7551498      1.459056  
1 1 1 -15 18 34 o 29.13298 0.7026229 8.249258       0.4033608 10.28172       0.6362568 6.883498       0.5215649 5.825205       1.405246  
1 1 1 -15 18 35 o 60.71007 0.8002170 36.80221       0.9699032 34.92970       1.324458  38.96760       1.424276  -3.317913      1.600434  
1 1 1 -15 18 36 o 51.23901 0.7455946 26.14987       0.7609390 27.87351       1.140437  24.76673       1.021604  3.022476       1.491189  
1 1 1 -15 18 37 f 94.82173 1.090786  90.11420       2.066761  87.53963       2.850409  92.96817       3.001091  -2.845009      2.181571  
1 1 1 -15 18 38 f 38.88407 0.7176148 15.14500       0.5568416 15.13975       0.8149512 15.14961       0.7626352 -0.1692963E-01 1.435230  
1 1 1 -15 18 39 o 53.45491 0.7742404 28.46726       0.8237777 30.26255       1.239885  27.04850       1.102223  2.993416       1.548481  
1 1 1 -15 18 40 o 47.74548 0.7535246 22.85182       0.7191446 21.96277       1.016746  23.74183       1.017302  -1.863010      1.507049  
1 1 1 -15 18 41 o 26.33573 0.8120685 7.081955       0.4198213 5.949701       0.6211339 8.034247       0.5696370 -3.963209      1.624137  
1 1 1 -15 18 42 o 23.96632 0.8710164 5.863144       0.4097672 5.043550       0.6128758 6.525698       0.5510404 -3.099558      1.742033  
1 1 1 -15 18 43 o 57.12439 0.8117979 32.72482       0.9271165 31.59042       1.307747  33.87106       1.314561  -1.995396      1.623596  
1 1 1 -15 18 44 f 35.09274 0.7754201 12.06527       0.5363393 14.02148       0.8516133 10.77929       0.6904795 4.600346       1.550840  
1 1 1 -15 18 45 o 36.50116 0.7722231 13.37591       0.5623399 13.14289       0.8207710 13.58206       0.7720048 -0.6079941     1.544446  
1 1 1 -15 18 46 o 17.38633 1.148702  3.093028       0.3854910 2.836970       0.6189880 3.255262       0.4927033 -1.228092      2.297405  
1 1 1 -15 18 47 o 26.23579 0.9578849 6.910320       0.5012776 7.621747       0.7204853 6.242829       0.6978822 2.624060       1.915770  
1 1 1 -15 18 48 o 12.58699 1.975548  1.752166       0.4789912 1.266062       0.7985876 2.025312       0.5986255 -3.116098      3.951096  
1 1 1 -15 18 49 o 7.770810 2.079106  0.3790682      0.4826836 -0.2740190     0.7744424 0.7939202      0.6172345 -2.420494      4.158213  
1 1 1 -15 18 50 o 33.49372 1.130189  11.08124       0.7452822 12.58227       1.186923  10.10421       0.9575956 3.641336       2.260379  
1 1 1 -15 18 51 o 21.45292 1.458285  4.617497       0.6057572 4.847150       0.9998910 4.484336       0.7613848 0.7687550      2.916570  
1 1 1 -15 18 52 o 29.77824 1.242560  8.691914       0.7246392 10.28235       1.179800  7.728463       0.9182569 4.210985       2.485120  
1 1 1 -15 18 53 o 31.19542 1.254403  9.914540       0.7619566 9.498781       1.211570  10.18657       0.9800259 -1.174524      2.508806  
1 1 1 -15 18 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 19 1  o 119.1332 1.295152  141.9970       3.082589  146.2037       4.486726  138.2360       4.242406  3.331604       2.590304  
1 1 1 -15 19 2  o 85.81129 0.9747472 73.44727       1.668508  77.23259       2.470388  70.27211       2.262540  4.047966       1.949494  
1 1 1 -15 19 3  o 106.6536 1.174565  113.9075       2.505323  114.7069       3.563288  113.1260       3.523175  0.7393723      2.349129  
1 1 1 -15 19 4  o 116.1920 1.266721  135.2283       2.943631  135.6922       4.173503  134.7691       4.152421  0.3962555      2.533442  
1 1 1 -15 19 5  f 104.6051 1.153984  109.4339       2.411942  112.5902       3.504961  106.5947       3.324215  2.858208       2.307969  
1 1 1 -15 19 6  o 68.61729 0.8273280 46.79898       1.129980  44.05044       1.511123  50.28533       1.701900  -4.537529      1.654656  
1 1 1 -15 19 7  f 96.94524 1.083708  93.92790       2.098207  91.12545       2.876246  97.11567       3.067614  -3.081978      2.167417  
1 1 1 -15 19 8  o 66.56243 0.8143383 44.21367       1.082200  46.36859       1.588825  42.34864       1.478092  3.016403       1.628677  
1 1 1 -15 19 9  o 42.34687 0.9582826 18.27900       0.7963095 20.43190       1.071927  15.62776       1.189537  5.676456       1.916565  
1 1 1 -15 19 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 19 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 19 12 o 28.63457 2.318896  8.224230       1.328012  8.224230       1.328012  ?              ?         ?              ?         
1 1 1 -15 19 13 o 59.65063 1.158549  35.51220       1.379683  38.32404       2.019081  33.04923       1.889675  4.415215       2.317099  
1 1 1 -15 19 14 o 33.31599 0.8529046 11.39688       0.5045989 10.47903       0.9498376 11.75777       0.5955961 -1.931564      1.705809  
1 1 1 -15 19 15 f 38.15148 0.6386378 14.25718       0.4820020 16.86038       0.7509531 12.43335       0.6285667 5.798473       1.277276  
1 1 1 -15 19 16 o 33.69428 0.6297628 11.35228       0.4242226 10.92147       0.5927668 11.80460       0.6073828 -1.310097      1.259526  
1 1 1 -15 19 17 o 30.82534 0.6228655 9.434731       0.3825407 10.46225       0.5708095 8.596976       0.5154107 3.023994       1.245731  
1 1 1 -15 19 18 o 27.89235 0.6419368 7.759818       0.3565381 6.794044       0.4905530 8.841261       0.5190991 -3.669008      1.283874  
1 1 1 -15 19 19 o 48.34750 0.6941037 23.38650       0.6710917 23.61304       0.9576033 23.16786       0.9407548 0.4598389      1.388207  
1 1 1 -15 19 20 o 72.39757 0.8718630 52.46725       1.262351  52.67434       1.795714  52.26494       1.774935  0.2818451      1.743726  
1 1 1 -15 19 21 o 113.9281 1.751985  129.9131       3.980075  136.0573       5.908305  124.8085       5.385329  4.889969       3.503970  
1 1 1 -15 19 22 o 89.56912 1.025891  80.34071       1.837522  81.04811       2.624110  79.66010       2.573913  0.7721024      2.051782  
1 1 1 -15 19 23 o 79.07663 0.9323956 62.59983       1.474365  63.37221       2.108696  61.86113       2.062216  0.9531021      1.864791  
1 1 1 -15 19 24 o 112.6819 1.243907  127.2736       2.803192  126.5661       3.941951  127.9974       3.987058  -0.6320038     2.487814  
1 1 1 -15 19 25 o 64.71194 0.8149925 41.91635       1.054721  41.37957       1.481293  42.46833       1.502126  -0.8402405     1.629985  
1 1 1 -15 19 26 f 26.72504 0.6837528 7.124454       0.3638905 7.393085       0.5444084 6.907510       0.4892389 0.9060879      1.367506  
1 1 1 -15 19 27 o 56.65723 0.7557277 32.13579       0.8561587 32.14799       1.223858  32.12409       1.198134  0.1975250E-01  1.511455  
1 1 1 -15 19 28 o 25.11761 0.7185047 6.363685       0.3572280 5.340967       0.5070909 7.371263       0.5033234 -4.041769      1.437009  
1 1 1 -15 19 29 o 66.27004 0.8319766 43.95734       1.102234  44.66315       1.586598  43.29892       1.532403  1.026093       1.663953  
1 1 1 -15 19 30 o 19.93102 0.8316532 4.074167       0.3236081 3.267648       0.4775627 4.758923       0.4400387 -3.743464      1.663306  
1 1 1 -15 19 31 o 87.62047 1.017074  76.95393       1.782181  77.39954       2.539675  76.52161       2.501528  0.4977646      2.034148  
1 1 1 -15 19 32 o 68.45451 0.8551959 46.93658       1.170733  46.16692       1.643425  47.72962       1.668187  -1.139557      1.710392  
1 1 1 -15 19 33 o 26.67218 0.7379551 6.856930       0.3860498 8.971712       0.6161005 5.489842       0.4953552 6.518709       1.475910  
1 1 1 -15 19 34 o 55.47430 0.7690833 30.82651       0.8532435 30.40130       1.203944  31.25560       1.209412  -0.7695656     1.538167  
1 1 1 -15 19 35 o 47.15321 0.7293475 22.27656       0.6876027 21.77892       0.9766502 22.76566       0.9682385 -1.046963      1.458695  
1 1 1 -15 19 36 o 39.63757 0.7178289 15.71824       0.5677388 14.27851       0.7887724 17.26598       0.8178233 -3.766167      1.435658  
1 1 1 -15 19 37 o 69.59324 1.277408  48.63478       1.776583  50.24671       2.575704  47.17196       2.453672  2.190613       2.554816  
1 1 1 -15 19 38 o 30.26996 0.7502564 9.028199       0.4501933 10.42017       0.6947334 8.020572       0.5910896 3.953825       1.500513  
1 1 1 -15 19 39 o 40.13437 0.7377962 16.07087       0.5895339 16.84364       0.8844793 15.45309       0.7908151 1.723129       1.475592  
1 1 1 -15 19 40 o 12.25484 1.486662  1.810348       0.3440886 0.3865791      0.5049969 3.044164       0.4701041 -10.32411      2.973324  
1 1 1 -15 19 41 o 53.73254 0.7928733 28.95091       0.8516378 28.77574       1.221797  29.11645       1.187722  -0.3209381     1.585747  
1 1 1 -15 19 42 o 51.97311 0.7891120 27.09414       0.8198810 26.47102       1.167699  27.70002       1.151445  -1.184231      1.578224  
1 1 1 -15 19 43 o 31.63319 0.7966769 10.02032       0.4993615 10.14474       0.7618386 9.926596       0.6612114 0.3319874      1.593354  
1 1 1 -15 19 44 o 26.80870 0.8394940 7.086514       0.4448189 8.027021       0.6972225 6.440932       0.5776514 2.940617       1.678988  
1 1 1 -15 19 45 o 42.46725 0.9441186 18.61799       0.7609438 16.40305       1.254044  19.90880       0.9573297 -4.175800      1.888237  
1 1 1 -15 19 46 o 11.92664 2.085306  1.509703       0.4849287 1.492236       0.7864576 1.520417       0.6159563 -0.1331940     4.170611  
1 1 1 -15 19 47 f 19.12051 1.337247  3.683794       0.5076993 3.762841       0.7688298 3.622671       0.6760713 0.3421192      2.674494  
1 1 1 -15 19 48 o 36.40337 1.106587  13.26484       0.7971086 13.88800       1.231432  12.81543       1.045754  1.431107       2.213175  
1 1 1 -15 19 49 o 42.19276 1.112603  17.67708       0.9264621 19.52811       1.457910  16.42326       1.199889  3.615211       2.225206  
1 1 1 -15 19 50 o 27.68443 1.285083  7.815828       0.6970091 7.361721       1.083625  8.136293       0.9103119 -1.448473      2.570167  
1 1 1 -15 19 51 f 22.15730 1.475035  4.840487       0.6208618 5.433707       1.085380  4.551976       0.7569289 1.873341       2.950070  
1 1 1 -15 19 52 o 48.44311 1.178443  23.66505       1.134508  23.97100       1.707808  23.42339       1.517817  0.5096664      2.356886  
1 1 1 -15 19 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 20 1  o 86.79205 0.9877716 75.25443       1.711568  72.73416       2.338015  78.16477       2.512430  -3.120537      1.975543  
1 1 1 -15 20 2  o 105.7430 1.167250  111.9425       2.467381  114.2068       3.556824  109.8420       3.425677  2.056877       2.334501  
1 1 1 -15 20 3  o 18.27382 0.5878050 3.346698       0.2141914 3.043012       0.3023870 3.652504       0.3034405 -1.667637      1.175610  
1 1 1 -15 20 4  o 66.11534 0.8044893 43.69822       1.062973  42.50859       1.468719  45.00677       1.540383  -1.886635      1.608979  
1 1 1 -15 20 5  o 47.94761 0.7602029 23.28236       0.7202705 20.34679       1.056715  25.82969       0.9843619 -5.720062      1.520406  
1 1 1 -15 20 6  o 64.02809 1.051774  40.93420       1.343845  42.77442       1.982239  39.36910       1.828075  2.651897       2.103548  
1 1 1 -15 20 7  o 82.13651 1.293198  67.35896       2.118176  70.74897       3.143547  64.53983       2.866667  3.763550       2.586395  
1 1 1 -15 20 8  o 97.01773 1.498771  94.35091       2.906918  95.85820       4.184140  92.94457       4.041571  1.491890       2.997543  
1 1 1 -15 20 9  o 84.01492 1.604564  70.70202       2.696146  70.70202       2.696146  ?              ?         ?              ?         
1 1 1 -15 20 10 o 67.38021 0.8212075 45.17863       1.102216  48.28588       1.651278  42.68170       1.480246  4.152191       1.642415  
1 1 1 -15 20 11 o 52.60737 0.7104944 27.64167       0.7466745 28.75001       1.088578  26.65690       1.026103  1.987328       1.420989  
1 1 1 -15 20 12 o 72.91658 0.8710744 52.70124       1.261560  57.55997       1.926446  49.05309       1.669289  5.822853       1.742149  
1 1 1 -15 20 13 o 85.74738 0.9855697 73.48055       1.687797  71.12579       2.313389  76.16039       2.467909  -2.928520      1.971139  
1 1 1 -15 20 14 f 42.49163 0.6538542 17.95544       0.5538371 19.48808       0.8249125 16.69759       0.7473124 3.281136       1.307708  
1 1 1 -15 20 15 o 113.0087 1.354277  127.4050       3.006676  124.7761       3.883679  131.3377       4.750164  -2.845650      2.708555  
1 1 1 -15 20 16 o 70.26878 1.647331  49.47253       2.315118  49.47253       2.315118  ?              ?         ?              ?         
1 1 1 -15 20 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 20 18 f 30.03402 1.087735  9.000466       0.6519177 8.248413       0.8925766 9.860362       0.9544303 -2.679972      2.175470  
1 1 1 -15 20 19 o 47.04726 1.066069  22.14020       1.002349  23.27700       1.448446  21.09550       1.388524  2.314968       2.132138  
1 1 1 -15 20 20 o 74.45699 1.306396  55.57515       1.945224  56.38668       2.773762  54.78977       2.728716  1.069145       2.612792  
1 1 1 -15 20 21 o 40.54698 0.8682423 15.45336       0.6151825 18.55428       1.264966  14.49277       0.7040483 4.981209       1.736485  
1 1 1 -15 20 22 o 36.64414 0.8629138 12.84360       0.5522765 14.68626       1.125015  12.25855       0.6339170 3.287884       1.725828  
1 1 1 -15 20 23 o 30.13231 0.6606901 8.847624       0.3928141 10.75531       0.6186026 7.558634       0.5084905 5.299782       1.321380  
1 1 1 -15 20 24 o 23.30148 0.7088967 5.452845       0.3291886 5.150472       0.4774296 5.726873       0.4545022 -1.237942      1.417793  
1 1 1 -15 20 25 o 31.60352 0.6603709 9.699933       0.4110779 11.95632       0.6521062 8.211994       0.5295467 5.918211       1.320742  
1 1 1 -15 20 26 f 92.26541 1.056070  84.84341       1.940866  80.36204       2.606335  90.42208       2.907969  -5.429314      2.112139  
1 1 1 -15 20 27 o 45.54185 0.7017789 20.68158       0.6377745 18.93434       0.8737594 22.67401       0.9330564 -4.102654      1.403558  
1 1 1 -15 20 28 o 58.08514 0.7758313 33.63171       0.8991118 31.53997       1.221229  36.10751       1.328620  -3.925053      1.551663  
1 1 1 -15 20 29 o 28.02840 0.6921611 7.797481       0.3851396 8.400506       0.5889661 7.346969       0.5090672 1.874739       1.384322  
1 1 1 -15 20 30 f 26.94020 0.7061076 7.082831       0.3756050 8.668251       0.5878403 5.988968       0.4882794 4.966381       1.412215  
1 1 1 -15 20 31 o 38.60758 0.6874968 14.92589       0.5302009 14.90040       0.7687470 14.94901       0.7322205 -0.6538391E-01 1.374994  
1 1 1 -15 20 32 o 62.97428 0.8173236 39.66673       1.027839  40.91450       1.503881  38.57297       1.408018  1.851025       1.634647  
1 1 1 -15 20 33 o 61.20525 0.8135647 37.53547       0.9958482 37.46789       1.414010  37.60198       1.402741  -0.1105080     1.627129  
1 1 1 -15 20 34 o 62.13469 0.8198239 38.62043       1.017317  39.90105       1.487513  37.49512       1.394404  1.927586       1.639648  
1 1 1 -15 20 35 o 24.45840 0.7838476 5.954645       0.3803126 6.293893       0.5822544 5.702215       0.5022556 1.202177       1.567695  
1 1 1 -15 20 36 o 44.90902 1.103428  20.23134       0.9904194 20.90814       1.432937  19.61225       1.370479  1.434189       2.206855  
1 1 1 -15 20 37 o 30.91607 0.7587614 9.617378       0.4671533 9.003510       0.6782579 10.17141       0.6443543 -1.892216      1.517523  
1 1 1 -15 20 38 o 41.65213 0.7383807 17.30359       0.6125414 18.24487       0.9175234 16.54674       0.8227361 2.028942       1.476761  
1 1 1 -15 20 39 o 19.41327 0.9885116 3.942219       0.3677410 3.013454       0.5615059 4.639783       0.4866236 -4.198805      1.977023  
1 1 1 -15 20 40 o 36.23699 0.7505337 13.14436       0.5423871 13.38449       0.8009804 12.94101       0.7370979 0.6049156      1.501067  
1 1 1 -15 20 41 f 50.92870 0.7870467 25.96994       0.8004158 23.99753       1.111213  28.09685       1.153912  -4.019421      1.574093  
1 1 1 -15 20 42 o 31.48918 0.9540859 9.849298       0.5520920 10.23673       1.012427  9.685330       0.6586394 0.8193321      1.908172  
1 1 1 -15 20 43 o 57.14503 1.136759  32.89225       1.298130  31.86600       1.853289  33.88073       1.818862  -1.769711      2.273518  
1 1 1 -15 20 44 o 60.70203 1.171642  37.12384       1.420929  36.56273       2.047832  37.64482       1.973238  -0.9068489     2.343283  
1 1 1 -15 20 45 o 7.799672 1.986192  0.5150450      0.3976867 0.6451448      0.5786819 0.3986116      0.5474449 1.027584       3.972384  
1 1 1 -15 20 46 o 36.51007 0.9902651 13.34767       0.7215843 12.42850       0.9843410 14.41540       1.060903  -2.705925      1.980530  
1 1 1 -15 20 47 o 26.34317 1.122225  7.006053       0.5897539 6.456182       0.8361949 7.550287       0.8318975 -2.077671      2.244450  
1 1 1 -15 20 48 o 21.22081 1.469426  4.694769       0.5960990 4.063268       0.9598981 5.091177       0.7605158 -2.485044      2.938852  
1 1 1 -15 20 49 o 34.89276 1.171555  12.38692       0.8019344 11.70849       1.243279  12.87027       1.049420  -1.716251      2.343110  
1 1 1 -15 20 50 o 40.29021 1.144667  16.00153       0.9046053 18.29877       1.460949  14.57313       1.152010  4.535816       2.289333  
1 1 1 -15 20 51 o 18.29822 1.697525  3.411633       0.6028844 3.429178       0.9786355 3.400903       0.7653630 -0.1069832E-01 3.395050  
1 1 1 -15 20 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 21 1  o 126.6373 1.375201  160.4905       3.477056  155.4087       4.752971  166.3414       5.099944  -4.291039      2.750403  
1 1 1 -15 21 2  o 63.47958 0.9259334 40.26678       1.132353  40.65137       1.876712  40.04662       1.419948  0.4541130      1.851867  
1 1 1 -15 21 3  o 21.24195 0.6258723 4.500322       0.2652036 4.707716       0.3924393 4.325997       0.3597926 0.8974285      1.251745  
1 1 1 -15 21 4  o 150.6687 2.263786  228.6579       6.819685  231.6896       9.785047  225.7943       9.509823  1.923782       4.527572  
1 1 1 -15 21 5  o 48.79968 0.8642136 23.83611       0.8433928 23.47985       1.183670  24.20351       1.202017  -0.7406349     1.728427  
1 1 1 -15 21 6  o 69.86928 0.9000927 48.97364       1.252139  50.00672       1.702622  47.75677       1.847867  1.616890       1.800185  
1 1 1 -15 21 7  o 31.44842 0.6052521 9.856397       0.3797653 8.977398       0.5203754 10.85799       0.5554802 -2.988865      1.210504  
1 1 1 -15 21 8  o 64.98303 0.8890677 40.98854       1.106596  38.09558       1.359132  46.67773       1.905971  -6.578041      1.778135  
1 1 1 -15 21 9  o 30.37136 0.6033862 9.213983       0.3661325 9.555507       0.5328534 8.908523       0.5039352 1.064209       1.206772  
1 1 1 -15 21 10 o 98.67546 1.106226  96.99569       2.173610  92.01955       2.914223  103.2349       3.263190  -5.662575      2.212452  
1 1 1 -15 21 11 o 70.71542 0.8562650 49.92375       1.208670  47.96485       1.648028  52.20379       1.777995  -2.991264      1.712530  
1 1 1 -15 21 12 o 67.80347 0.8314684 45.77543       1.123448  43.28363       1.512405  48.84302       1.678067  -4.092247      1.662937  
1 1 1 -15 21 13 o 9.360559 1.158719  0.8690183      0.2074039 1.249321       0.3204913 0.5949866      0.2720521 3.615926       2.317439  
1 1 1 -15 21 14 o 113.5596 1.250836  129.1171       2.838143  126.0183       3.911816  132.5613       4.124069  -2.866386      2.501673  
1 1 1 -15 21 15 f 34.83673 0.6467054 11.83261       0.4446352 9.805533       0.5795842 14.73205       0.6931686 -7.066816      1.293411  
1 1 1 -15 21 16 o 74.05667 0.8874845 54.89307       1.314178  54.04352       1.834543  55.78854       1.883480  -1.175728      1.774969  
1 1 1 -15 21 17 o 47.58300 0.6924398 22.60588       0.6579066 23.56908       0.9643326 21.76718       0.8998514 1.890846       1.384880  
1 1 1 -15 21 18 o 46.53860 0.6898522 21.48244       0.6388137 23.62881       0.9648750 19.80736       0.8523846 4.101013       1.379704  
1 1 1 -15 21 19 o 60.55542 0.7799246 36.70971       0.9445720 36.66628       1.336322  36.75308       1.335332  -0.7172012E-01 1.559849  
1 1 1 -15 21 20 o 53.79912 0.7325388 28.83080       0.7855406 30.66045       1.170951  27.33351       1.059270  3.086483       1.465078  
1 1 1 -15 21 21 o 46.73629 0.6955861 21.85583       0.6499071 22.12162       0.9350213 21.60739       0.9039793 0.5486298      1.391172  
1 1 1 -15 21 22 o 46.99150 0.7022063 21.82102       0.6556456 19.50589       0.8700307 24.86369       0.9974132 -5.694550      1.404413  
1 1 1 -15 21 23 o 43.79606 0.6846372 19.14990       0.5985659 19.97044       0.8797406 18.44263       0.8167633 1.741180       1.369274  
1 1 1 -15 21 24 o 31.74045 0.7452919 10.12470       0.4670394 12.25058       0.6714430 8.132047       0.6500627 6.486652       1.490584  
1 1 1 -15 21 25 f 49.32584 0.9304844 24.66833       0.8499575 25.16721       1.029627  23.60112       1.505945  1.622231       1.860969  
1 1 1 -15 21 26 o 8.597541 1.945748  0.7170537      0.3683487 0.6833864      0.4629850 0.7751159      0.6080083 -0.7021313     3.891496  
1 1 1 -15 21 27 o 25.02795 1.230561  6.216460       0.6047246 4.718777       0.8121883 8.079620       0.9058824 -6.704252      2.461122  
1 1 1 -15 21 28 o 104.7041 1.692727  110.2862       3.540502  107.1534       4.865980  113.8104       5.161093  -3.132446      3.385453  
1 1 1 -15 21 29 o 17.79689 1.483702  3.159019       0.5113686 4.376510       0.7669474 2.184544       0.6861486 6.146583       2.967405  
1 1 1 -15 21 30 o 52.61842 1.114266  27.76828       1.172100  27.12756       1.628244  28.45738       1.688602  -1.256618      2.228531  
1 1 1 -15 21 31 o 21.84775 1.352312  4.742890       0.5861136 5.685763       0.8790301 3.988158       0.7864546 3.871769       2.704624  
1 1 1 -15 21 32 o 9.017132 2.049586  0.6332829      0.4678948 1.384794       0.7021447 0.3300549E-01  0.6275306 4.919044       4.099171  
1 1 1 -15 21 33 o 63.50232 1.220452  40.46223       1.548289  39.23037       2.129114  41.84477       2.255577  -2.040207      2.440905  
1 1 1 -15 21 34 o 80.38676 1.400145  65.00569       2.249312  63.53879       3.108070  66.61884       3.259334  -1.889221      2.800289  
1 1 1 -15 21 35 f 60.19012 1.207677  36.42567       1.453795  36.29177       2.051381  36.56079       2.060604  -0.2220001     2.415355  
1 1 1 -15 21 36 o 67.49455 1.267644  45.82605       1.710969  45.16777       2.396761  46.51010       2.443259  -0.9863968     2.535289  
1 1 1 -15 21 37 o 61.02389 1.104752  37.19946       1.309077  38.32903       2.137501  36.52150       1.655965  1.406822       2.209503  
1 1 1 -15 21 38 o 38.92052 1.028027  15.17996       0.7696198 15.33921       1.280146  15.08982       0.9631069 0.2732124      2.056053  
1 1 1 -15 21 39 o 27.12436 1.393608  0.000000       0.000000  ?              ?         7.387634       0.7560145 ?              ?         
1 1 1 -15 21 40 o 13.81806 3.585250  0.000000       0.000000  ?              ?         2.039463       0.9991402 ?              ?         
1 1 1 -15 21 41 o 22.06220 2.684403  0.000000       0.000000  ?              ?         4.954445       1.184477  ?              ?         
1 1 1 -15 21 42 o 49.45100 1.097699  24.61814       1.056531  24.52678       1.700467  24.67558       1.348375  -0.2182312     2.195398  
1 1 1 -15 21 43 o 44.02416 1.579821  19.16482       1.241382  18.61771       1.448557  20.67769       2.408800  -2.067253      3.159642  
1 1 1 -15 21 44 o 44.52192 1.674228  20.80389       1.335015  21.75022       1.591955  18.56123       2.450710  3.852188       3.348457  
1 1 1 -15 21 45 o 36.89555 2.546304  13.86552       1.878946  13.86552       1.878946  ?              ?         ?              ?         
1 1 1 -15 21 46 o 26.13793 3.000244  7.026288       1.568403  7.026288       1.568403  ?              ?         ?              ?         
1 1 1 -15 21 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 21 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 21 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 21 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 22 1  f 62.25037 1.024281  38.78709       1.274307  39.70831       1.845054  37.94685       1.762091  1.409534       2.048561  
1 1 1 -15 22 2  f 156.9401 2.056544  246.2002       6.035533  242.8104       7.311959  253.4481       10.69182  -2.971939      4.113087  
1 1 1 -15 22 3  o 43.78047 0.6516151 19.18069       0.5705525 19.25482       0.8094729 19.10750       0.8043180 0.1680412      1.303230  
1 1 1 -15 22 4  o 119.1717 1.304274  142.2216       3.105129  138.4202       4.270687  146.4850       4.522781  -3.364204      2.608549  
1 1 1 -15 22 5  o 115.8562 1.271640  134.5836       2.946463  134.0193       4.148097  135.1582       4.186017  -0.4886398     2.543280  
1 1 1 -15 22 6  o 75.11125 0.9751290 55.50317       1.419168  60.46023       2.357761  52.68690       1.777156  5.141365       1.950258  
1 1 1 -15 22 7  o 104.8763 1.166809  110.2085       2.446854  108.8770       3.416761  111.6101       3.505702  -1.296913      2.333619  
1 1 1 -15 22 8  o 105.8068 1.173545  112.1934       2.483136  113.2079       3.541867  111.2127       3.482261  0.9387360      2.347090  
1 1 1 -15 22 9  o 58.97641 0.7606913 34.60347       0.8939328 32.43702       1.202538  37.27933       1.336465  -4.099224      1.521383  
1 1 1 -15 22 10 o 65.07661 0.8075559 42.36523       1.050582  41.38365       1.459054  43.42206       1.513961  -1.563492      1.615112  
1 1 1 -15 22 11 o 73.00729 0.8745521 53.34067       1.276446  52.35845       1.774450  54.39397       1.837536  -1.390671      1.749104  
1 1 1 -15 22 12 o 45.22053 0.6700071 20.15001       0.6006349 22.91866       0.9275624 18.15080       0.7882032 5.265915       1.340014  
1 1 1 -15 22 13 o 40.06845 0.6505799 16.06707       0.5212967 15.74594       0.7351862 16.39178       0.7392804 -0.8057556     1.301160  
1 1 1 -15 22 14 o 7.527290 1.333779  0.5552461      0.2055665 0.8628744      0.3193941 0.3376973      0.2685915 3.178253       2.667557  
1 1 1 -15 22 15 o 48.23511 0.6958430 23.22330       0.6702794 22.08449       0.9179755 24.52384       0.9809964 -2.525589      1.391686  
1 1 1 -15 22 16 o 77.39017 0.9174612 59.47338       1.411428  55.55582       1.874704  64.59973       2.144517  -5.825691      1.834922  
1 1 1 -15 22 17 o 47.21248 0.6960925 22.29306       0.6570086 21.61638       0.9135904 23.01790       0.9455338 -1.482704      1.392185  
1 1 1 -15 22 18 o 47.51132 0.6994162 22.52086       0.6632885 23.76776       0.9763566 21.45220       0.9038922 2.433304       1.398832  
1 1 1 -15 22 19 o 84.46489 0.9834067 71.20822       1.656561  74.99462       2.457335  68.05410       2.242797  4.093506       1.966813  
1 1 1 -15 22 20 o 86.26625 1.000777  74.53773       1.726003  75.89218       2.482925  73.27118       2.401010  1.513016       2.001554  
1 1 1 -15 22 21 o 33.26660 0.6592070 10.96940       0.4361665 12.13058       0.6606252 10.07210       0.5807338 3.089756       1.318414  
1 1 1 -15 22 22 o 58.93894 0.7776867 34.77797       0.9165543 35.23421       1.311478  34.34238       1.281451  0.7546539      1.555373  
1 1 1 -15 22 23 o 56.97650 0.7671379 32.01963       0.8660136 36.11434       1.341452  29.09355       1.133981  6.147610       1.534276  
1 1 1 -15 22 24 o 40.54583 0.6841262 16.42482       0.5537958 17.00705       0.8125097 15.91967       0.7568232 1.337563       1.368252  
1 1 1 -15 22 25 o 65.01819 0.8278791 42.00014       1.070464  45.58151       1.622257  39.23811       1.424650  4.862862       1.655758  
1 1 1 -15 22 26 f 47.88266 0.7245577 22.83741       0.6919649 21.18911       0.9380422 24.80505       1.024887  -3.769554      1.449115  
1 1 1 -15 22 27 o 47.63375 0.7191516 22.37449       0.6788596 25.36009       1.050437  20.23322       0.8895913 5.369511       1.438303  
1 1 1 -15 22 28 o 25.19898 0.7409629 6.423315       0.3696816 5.715651       0.5419379 7.039192       0.5055719 -2.629004      1.481926  
1 1 1 -15 22 29 o 21.15905 0.7963964 4.479092       0.3359576 4.568257       0.4973224 4.404247       0.4556407 0.3839245      1.592793  
1 1 1 -15 22 30 o 63.58215 0.8260756 40.51736       1.050462  40.34022       1.486447  40.69410       1.484710  -0.2784500     1.652151  
1 1 1 -15 22 31 o 55.65423 0.7777680 31.02662       0.8653858 31.42961       1.244332  30.64911       1.204328  0.6974335      1.555536  
1 1 1 -15 22 32 o 26.48217 0.7525051 7.064937       0.3964167 6.419109       0.5716984 7.663015       0.5501577 -2.350630      1.505010  
1 1 1 -15 22 33 o 58.24196 0.7993480 33.91421       0.9291196 35.30383       1.368808  32.72690       1.265242  2.201210       1.598696  
1 1 1 -15 22 34 o 26.63566 0.9111788 7.336793       0.4592733 6.387539       0.7588335 7.885520       0.5769431 -2.833935      1.822358  
1 1 1 -15 22 35 f 38.62862 0.7430617 14.97282       0.5727838 13.78029       0.8081512 16.17655       0.8119393 -3.101261      1.486123  
1 1 1 -15 22 36 f 82.36841 1.210377  68.27500       1.885604  68.19705       3.243005  68.31480       2.317630  -0.2327881     2.420754  
1 1 1 -15 22 37 o 20.86974 1.174186  4.220092       0.4767416 5.075589       0.7939667 3.737732       0.5961818 3.170416       2.348372  
1 1 1 -15 22 38 o 57.76147 1.110663  33.45884       1.277530  34.53531       1.909533  32.58660       1.718870  1.652344       2.221327  
1 1 1 -15 22 39 o 57.84789 0.8227867 33.54025       0.9512997 31.92053       1.323277  35.27268       1.368547  -2.890877      1.645573  
1 1 1 -15 22 40 o 35.01957 0.7734419 12.25381       0.5386443 12.72044       0.8121394 11.88733       0.7197220 1.176888       1.546884  
1 1 1 -15 22 41 o 91.58355 1.176023  84.32748       2.131144  83.52023       2.809975  85.42054       3.269806  -0.9401398     2.352045  
1 1 1 -15 22 42 o 8.443993 1.743156  0.6497631      0.3794962 -0.1211917     0.5617721 1.296907       0.5146907 -5.296259      3.486312  
1 1 1 -15 22 43 o 28.19799 0.9343629 7.987041       0.5253537 8.849698       0.7544174 7.174859       0.7320136 2.965611       1.868726  
1 1 1 -15 22 44 o 26.11654 1.084790  6.878298       0.5655763 6.401568       0.7999709 7.354729       0.7997203 -1.824883      2.169579  
1 1 1 -15 22 45 o 12.33438 2.106071  1.612994       0.4955729 1.635994       0.8441870 1.600900       0.6121534 0.6112289E-01  4.212141  
1 1 1 -15 22 46 o 37.70132 1.136045  14.50586       0.8435501 13.12029       1.271511  15.59510       1.127373  -3.319061      2.272090  
1 1 1 -15 22 47 o 58.45613 1.192604  34.54479       1.392595  32.84274       1.979678  36.21202       1.959332  -2.887817      2.385207  
1 1 1 -15 22 48 o 9.668955 2.339601  0.7968042      0.5299300 1.311353       0.9036126 0.5270609      0.6542505 3.159932       4.679201  
1 1 1 -15 22 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 23 1  f 51.46809 0.7074833 26.48150       0.7277601 27.51258       1.052894  25.53826       1.007052  1.915703       1.414967  
1 1 1 -15 23 2  o 42.10062 0.6388770 17.73879       0.5379335 17.77528       0.7632647 17.70277       0.7582656 0.8588409E-01  1.277754  
1 1 1 -15 23 3  o 46.81059 0.6728958 21.93070       0.6299092 21.84625       0.8838161 22.01789       0.8980057 -0.1826744     1.345792  
1 1 1 -15 23 4  o 40.41716 0.6437559 15.89247       0.5124447 13.76864       0.6586139 19.15070       0.8157569 -6.651043      1.287512  
1 1 1 -15 23 5  o 17.50846 1.565480  3.078026       0.5452528 2.665562       0.7561224 3.524879       0.7870127 -2.450638      3.130961  
1 1 1 -15 23 6  o 26.50737 0.6255842 6.746683       0.3229061 4.977749       0.4156424 9.439677       0.5128399 -8.412174      1.251168  
1 1 1 -15 23 7  o 79.14229 0.9289500 62.72745       1.470150  63.53139       2.102091  61.95773       2.056860  0.9912491      1.857900  
1 1 1 -15 23 8  o 73.82355 0.8854638 54.53743       1.306496  53.38119       1.808405  55.79984       1.889598  -1.633087      1.770928  
1 1 1 -15 23 9  o 90.20678 1.029748  81.47079       1.856606  83.48668       2.684843  79.62341       2.570183  2.133072       2.059497  
1 1 1 -15 23 10 o 16.16717 0.7712361 2.699615       0.2405605 1.943723       0.3482345 3.389590       0.3327044 -4.472425      1.542472  
1 1 1 -15 23 11 o 51.96687 0.7179108 26.85728       0.7433583 29.09628       1.111634  25.04622       0.9997749 3.891106       1.435822  
1 1 1 -15 23 12 f 29.56857 0.6295127 8.583092       0.3686913 10.26871       0.5675942 7.352721       0.4849267 4.927193       1.259025  
1 1 1 -15 23 13 o 45.94318 0.6816276 21.02283       0.6247436 19.54391       0.8485247 22.77366       0.9232379 -3.511246      1.363255  
1 1 1 -15 23 14 o 49.95135 0.7080343 24.93568       0.7065301 25.82712       1.029754  24.14276       0.9711849 1.682896       1.416069  
1 1 1 -15 23 15 o 62.88550 0.7996966 39.56961       1.005358  38.49419       1.397275  40.72395       1.447645  -1.769760      1.599393  
1 1 1 -15 23 16 o 82.32125 0.9620427 67.90016       1.583735  68.48763       2.261060  67.33434       2.219012  0.6972504      1.924085  
1 1 1 -15 23 17 o 35.43459 0.6593629 12.48038       0.4652798 11.02885       0.6310661 14.20923       0.6887171 -4.484558      1.318726  
1 1 1 -15 23 18 o 9.694283 1.220441  0.9397936      0.2295160 1.160668       0.3520157 0.7764646      0.3027059 2.124188       2.440883  
1 1 1 -15 23 19 o 33.05317 0.6602623 10.80134       0.4337103 12.27248       0.6591032 9.677865       0.5759835 3.920191       1.320525  
1 1 1 -15 23 20 o 73.57912 0.8939034 54.23532       1.315247  54.91123       1.880381  53.58789       1.840346  0.8960876      1.787807  
1 1 1 -15 23 21 o 22.38882 0.7304866 4.947996       0.3247458 5.715347       0.4952110 4.369029       0.4301505 3.002262       1.460973  
1 1 1 -15 23 22 o 65.66724 0.8354447 43.12616       1.095971  41.61401       1.506481  44.82631       1.597384  -2.438461      1.670889  
1 1 1 -15 23 23 o 56.09972 0.7627255 31.52515       0.8557619 31.33647       1.210254  31.71381       1.210206  -0.3363075     1.525451  
1 1 1 -15 23 24 o 8.841124 1.476951  0.8056522      0.2549076 0.9107833      0.3947691 0.7304722      0.3338322 0.9726324      2.953901  
1 1 1 -15 23 25 o 82.36311 0.9772824 67.99107       1.609089  69.28764       2.318689  66.78660       2.234819  1.509598       1.954565  
1 1 1 -15 23 26 o 61.63800 0.8164760 37.76136       1.001526  35.08123       1.337362  41.18387       1.511273  -4.934746      1.632952  
1 1 1 -15 23 27 o 25.61319 0.7511535 6.610353       0.3825222 6.065976       0.5561820 7.098989       0.5269379 -2.019077      1.502307  
1 1 1 -15 23 28 o 32.80408 0.7040098 10.58334       0.4572680 12.23716       0.7104566 9.413719       0.5974699 4.293941       1.408020  
1 1 1 -15 23 29 o 28.57961 0.7327258 8.052189       0.4144637 9.093704       0.6454499 7.321415       0.5406558 3.090965       1.465452  
1 1 1 -15 23 30 o 69.71312 0.8800744 48.73928       1.226966  48.71523       1.745471  48.76276       1.725093  -0.3645325E-01 1.760149  
1 1 1 -15 23 31 o 52.54036 0.7726089 27.34816       0.8069856 24.66823       1.072873  30.83984       1.224624  -5.857342      1.545218  
1 1 1 -15 23 32 o 28.96181 0.7409123 8.349279       0.4269697 8.946563       0.6443914 7.881828       0.5700690 1.830610       1.481825  
1 1 1 -15 23 33 f 102.0948 1.505545  105.7029       3.040175  101.4531       4.603405  108.9902       4.048721  -3.810242      3.011090  
1 1 1 -15 23 34 o 34.40874 0.9676305 11.94705       0.6623828 10.83198       0.9534338 12.98735       0.9209138 -3.136600      1.935261  
1 1 1 -15 23 35 f 74.63448 1.179948  55.90302       1.737364  55.24483       2.271052  56.83171       2.697662  -0.9870911     2.359896  
1 1 1 -15 23 36 o 25.65659 0.8228369 6.512832       0.4182850 7.259371       0.6476364 5.978550       0.5478862 2.482555       1.645674  
1 1 1 -15 23 37 o 30.26627 0.7891254 9.246157       0.4746467 8.430450       0.6899035 9.979252       0.6540354 -2.563553      1.578251  
1 1 1 -15 23 38 o 52.75401 0.7933663 27.92952       0.8366372 27.42571       1.195499  28.41308       1.171241  -0.9392166     1.586733  
1 1 1 -15 23 39 f 13.25989 1.456838  1.929761       0.3509291 1.343767       0.5491840 2.334160       0.4562225 -3.949443      2.913677  
1 1 1 -15 23 40 o 52.52518 0.8744311 27.45455       0.9085904 26.12419       1.188110  29.32849       1.410101  -3.013206      1.748862  
1 1 1 -15 23 41 f 14.21961 1.402428  2.045174       0.3986616 1.983243       0.5653222 2.106439       0.5622754 -0.4340420     2.804855  
1 1 1 -15 23 42 o 27.28978 0.9987524 7.545786       0.5396038 8.733942       0.7608743 6.343530       0.7653757 4.380623       1.997505  
1 1 1 -15 23 43 o 23.38984 1.124549  5.521047       0.5250670 5.390326       0.7609105 5.639874       0.7254703 -0.5423183     2.249099  
1 1 1 -15 23 44 o 23.10465 1.273396  5.258523       0.5735275 5.983813       0.9437621 4.833830       0.7221775 2.425434       2.546793  
1 1 1 -15 23 45 o 38.36539 1.103373  14.96892       0.8390471 13.19348       1.216687  16.57895       1.158625  -4.427193      2.206746  
1 1 1 -15 23 46 o 43.55778 1.109335  19.22490       0.9613371 18.07124       1.406190  20.23723       1.317238  -2.511166      2.218670  
1 1 1 -15 23 47 o 21.95313 2.139510  5.186102       0.7127983 4.782614       1.581701  5.288928       0.7984753 -1.848614      4.279020  
1 1 1 -15 24 1  o 80.72728 0.9433982 65.30941       1.523150  65.52600       2.158667  65.09466       2.149482  0.2664108      1.886796  
1 1 1 -15 24 2  o 96.02090 1.087148  92.44798       2.087504  91.60550       2.923872  93.32388       2.981319  -0.8894806     2.174296  
1 1 1 -15 24 3  o 97.65229 1.101232  95.62804       2.150612  94.96822       3.020361  96.30659       3.062934  -0.6813049     2.202464  
1 1 1 -15 24 4  o 129.5803 1.412057  168.6106       3.657697  165.8098       5.078502  171.6294       5.272480  -2.222534      2.824114  
1 1 1 -15 24 5  o 76.21510 0.9076377 57.68617       1.375049  62.76179       2.090021  53.81248       1.825863  5.850975       1.815275  
1 1 1 -15 24 6  o 89.40947 1.025251  80.09460       1.832494  78.75021       2.545468  81.54095       2.640203  -1.552528      2.050503  
1 1 1 -15 24 7  o 37.78419 0.6358915 14.23246       0.4794587 15.17333       0.7075045 13.43342       0.6520047 2.299480       1.271783  
1 1 1 -15 24 8  o 78.37126 0.9265516 61.53912       1.452207  62.11515       2.068148  60.97890       2.039611  0.7226944      1.853103  
1 1 1 -15 24 9  o 85.45872 0.9898953 73.19434       1.691775  73.83665       2.410710  72.57104       2.374758  0.7374802      1.979791  
1 1 1 -15 24 10 o 87.13248 1.005377  76.06797       1.751327  74.87321       2.435958  77.34623       2.519663  -1.411972      2.010754  
1 1 1 -15 24 11 o 33.92890 0.6379329 11.51862       0.4325135 11.62537       0.6260694 11.42115       0.5982139 0.2994347      1.275866  
1 1 1 -15 24 12 o 37.96329 0.6484486 14.42000       0.4921072 13.80026       0.6884366 15.06753       0.7037039 -1.668224      1.296897  
1 1 1 -15 24 13 o 28.26530 0.6483617 7.988635       0.3647631 6.962931       0.5053962 9.103848       0.5269869 -3.785955      1.296723  
1 1 1 -15 24 14 o 23.40755 0.6861398 5.522949       0.3169933 4.460317       0.4450881 6.616779       0.4515747 -4.605942      1.372280  
1 1 1 -15 24 15 o 46.24635 0.6911100 21.38138       0.6385574 22.09921       0.9293091 20.73931       0.8789102 1.467068       1.382220  
1 1 1 -15 24 16 o 44.25768 0.6838151 19.56825       0.6045935 18.47392       0.8333769 20.78416       0.8784514 -2.607063      1.367630  
1 1 1 -15 24 17 o 57.54964 0.7685800 33.11319       0.8835960 31.96455       1.214224  34.40614       1.288246  -2.115688      1.537160  
1 1 1 -15 24 18 o 6.195456 1.493909  0.2920493      0.2286652 0.5716084      0.3642887 0.1102812      0.2937432 2.607426       2.987818  
1 1 1 -15 24 19 o 63.65634 0.8147543 40.34163       1.032683  43.27910       1.551918  38.00736       1.383429  4.126507       1.629509  
1 1 1 -15 24 20 o 48.15802 0.7146074 23.18184       0.6875982 21.96319       0.9493835 24.52632       0.9971989 -2.657578      1.429215  
1 1 1 -15 24 21 o 15.09716 0.9291539 2.256377       0.2781657 2.503405       0.4288036 2.076897       0.3655062 1.406287       1.858308  
1 1 1 -15 24 22 o 39.28735 0.6853494 15.42542       0.5376314 15.99245       0.7879327 14.93144       0.7354308 1.346394       1.370699  
1 1 1 -15 24 23 o 74.46327 0.9082687 55.49611       1.350922  57.46409       1.971967  53.75572       1.854432  2.477974       1.816537  
1 1 1 -15 24 24 o 22.05129 0.7782913 4.850591       0.3417839 5.098174       0.5120890 4.651705       0.4589723 1.007490       1.556583  
1 1 1 -15 24 25 o 49.54647 0.7348015 24.59454       0.7280511 24.56776       1.037296  24.62054       1.022112  -0.5461884E-01 1.469603  
1 1 1 -15 24 26 o 14.69894 1.020689  2.188565       0.2957488 2.035758       0.4490347 2.305638       0.3930400 -0.9252043     2.041379  
1 1 1 -15 24 27 o 76.91879 0.9350359 59.27163       1.437158  57.38697       1.981967  61.36132       2.086996  -2.570549      1.870072  
1 1 1 -15 24 28 o 42.75209 0.7225196 18.30637       0.6171997 18.47991       0.8943589 18.14857       0.8528257 0.3834648      1.445039  
1 1 1 -15 24 29 o 40.78480 0.7650203 16.78058       0.6180287 15.76926       0.9241725 17.59875       0.8312438 -2.252525      1.530041  
1 1 1 -15 24 30 o 37.94356 0.9193566 14.45778       0.6961735 13.29090       0.9796239 15.64838       0.9895270 -3.105278      1.838713  
1 1 1 -15 24 31 o 41.33551 0.9429054 17.00870       0.7736998 18.25675       1.183080  16.07607       1.022709  2.615707       1.885811  
1 1 1 -15 24 32 o 35.64359 1.085210  13.00008       0.7480899 11.77223       1.190717  13.80079       0.9615592 -2.881710      2.170420  
1 1 1 -15 24 33 o 27.83589 0.7950448 7.820121       0.4396558 7.161832       0.6416193 8.402805       0.6036507 -2.233788      1.590090  
1 1 1 -15 24 34 o 81.60826 0.9863760 66.85917       1.609235  65.22632       2.236005  68.61366       2.317802  -2.061722      1.972752  
1 1 1 -15 24 35 o 58.16439 0.8147292 33.91444       0.9473015 32.52279       1.319903  35.39277       1.360387  -2.461323      1.629458  
1 1 1 -15 24 36 o 30.39234 0.7747551 9.243106       0.4681228 9.456297       0.7049819 9.074970       0.6260722 0.6165543      1.549510  
1 1 1 -15 24 37 o 21.43043 0.9390745 4.723967       0.3925820 3.923873       0.5905193 5.357656       0.5255348 -3.356016      1.878149  
1 1 1 -15 24 38 o 39.64040 0.7677192 15.78482       0.6072978 15.40943       0.8827229 16.12217       0.8368125 -0.9057579     1.535438  
1 1 1 -15 24 39 o 35.90232 0.8380521 12.84963       0.5991048 12.01197       0.8024861 13.90436       0.9004801 -2.619095      1.676104  
1 1 1 -15 24 40 o 26.42922 0.9740202 6.942498       0.5117111 6.267080       0.6799058 7.824914       0.7771396 -2.927305      1.948040  
1 1 1 -15 24 41 o 48.21696 0.9320212 22.93070       0.8665731 21.78419       1.077840  25.02661       1.457303  -3.283569      1.864042  
1 1 1 -15 24 42 o 25.66422 1.081301  6.644571       0.5538636 6.163839       0.7841899 7.123081       0.7823760 -1.869267      2.162603  
1 1 1 -15 24 43 o 6.504465 1.884489  -0.3125862     0.4368744 0.6678501      0.7026076 -0.9305725     0.5578182 4.424219       3.768979  
1 1 1 -15 24 44 o 31.40865 1.107035  9.903028       0.6872035 10.25725       1.064253  9.649724       0.8999768 0.9214687      2.214070  
1 1 1 -15 24 45 o 38.58364 1.107311  15.05643       0.8458746 14.69125       1.282132  15.33787       1.125592  -0.8801117     2.214622  
1 1 1 -15 24 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 25 1  o 63.62796 0.8056058 40.55359       1.025019  40.07804       1.434182  41.05016       1.465517  -0.7612839     1.611212  
1 1 1 -15 25 2  o 33.06173 1.058236  11.22912       0.6369677 11.63081       0.7650039 10.32118       1.150125  2.021503       2.116473  
1 1 1 -15 25 3  o 107.9729 1.760153  117.6116       3.800281  116.4147       5.314084  118.8644       5.436837  -1.112099      3.520306  
1 1 1 -15 25 4  o 36.37434 1.159411  13.24653       0.8412053 14.68743       1.221859  11.94817       1.159849  3.758003       2.318822  
1 1 1 -15 25 5  o 74.46191 1.349354  55.73524       2.009142  55.58745       2.812858  55.88917       2.870738  -0.1946030     2.698709  
1 1 1 -15 25 6  o 57.84663 0.7624196 33.34157       0.8789777 35.58961       1.311777  31.50976       1.184125  3.516483       1.524839  
1 1 1 -15 25 7  o 53.25818 0.7252831 28.25076       0.7699170 30.29385       1.148240  26.58188       1.037775  3.476688       1.450566  
1 1 1 -15 25 8  o 23.70053 0.6344467 5.530780       0.2981485 6.597168       0.4549268 4.727890       0.3947409 3.939625       1.268893  
1 1 1 -15 25 9  o 67.87129 0.8416492 46.13539       1.142096  45.23235       1.590232  47.09739       1.641312  -1.369522      1.683298  
1 1 1 -15 25 10 o 77.29601 0.9211870 59.86003       1.423460  61.02964       2.050091  58.77122       1.977997  1.454018       1.842374  
1 1 1 -15 25 11 f 24.31088 0.6590692 5.933105       0.3194597 5.434981       0.4541538 6.420967       0.4494514 -2.028191      1.318138  
1 1 1 -15 25 12 o 30.15953 0.6474002 9.101654       0.3900116 9.213910       0.5675088 9.001184       0.5368838 0.3505974      1.294800  
1 1 1 -15 25 13 o 18.26356 0.7821773 3.433330       0.2751458 2.393792       0.3916370 4.446515       0.3866409 -5.620114      1.564355  
1 1 1 -15 25 14 o 34.05449 0.6545969 11.60497       0.4455496 11.79400       0.6438017 11.43120       0.6172416 0.5308418      1.309194  
1 1 1 -15 25 15 o 21.70818 0.7286808 4.759775       0.3122810 3.880140       0.4413408 5.641735       0.4419238 -4.057402      1.457362  
1 1 1 -15 25 16 o 48.43294 0.7137589 23.48582       0.6911892 23.81776       0.9918990 23.17249       0.9636894 0.6639709      1.427518  
1 1 1 -15 25 17 o 43.97699 0.6950752 19.36911       0.6112540 19.35857       0.8719264 19.37930       0.8571505 -0.2470398E-01 1.390150  
1 1 1 -15 25 18 o 83.79448 0.9855554 70.06480       1.645505  74.57477       2.459671  66.41113       2.213879  4.843788       1.971111  
1 1 1 -15 25 19 f 41.63297 0.6895352 17.35517       0.5740632 16.98278       0.8044613 17.74157       0.8194419 -0.9100838     1.379070  
1 1 1 -15 25 20 o 64.84724 0.8328732 42.07365       1.078871  43.64676       1.573911  40.67935       1.481763  2.278851       1.665746  
1 1 1 -15 25 21 o 47.51774 0.7241880 22.60623       0.6879606 23.10956       0.9901865 22.13653       0.9565325 1.020870       1.448376  
1 1 1 -15 25 22 f 30.82043 0.6979972 9.443067       0.4283327 10.29104       0.6440350 8.770488       0.5735767 2.460562       1.395994  
1 1 1 -15 25 23 f 45.72673 0.7201236 20.95121       0.6583409 20.87916       0.9429075 21.01973       0.9195992 -0.1558914     1.440247  
1 1 1 -15 25 24 o 46.67102 0.7218305 21.53471       0.6682429 24.10226       1.028762  19.66068       0.8789083 4.743874       1.443661  
1 1 1 -15 25 25 o 31.51207 0.7159635 9.985497       0.4495837 9.322431       0.6490253 10.59717       0.6233655 -2.025105      1.431927  
1 1 1 -15 25 26 o 40.40612 0.8338541 15.31513       0.6236503 19.17804       1.171466  13.78732       0.7367281 6.620758       1.667708  
1 1 1 -15 25 27 f 74.64775 1.254236  55.88288       1.866633  58.40316       2.773494  53.79601       2.523778  3.041359       2.508473  
1 1 1 -15 25 28 o 26.73720 0.9371212 7.063187       0.4955837 7.915398       0.7738129 6.470560       0.6452871 2.684324       1.874242  
1 1 1 -15 25 29 o 43.23511 0.7682282 18.69309       0.6627325 18.11422       0.9015038 19.37381       0.9776052 -1.448059      1.536456  
1 1 1 -15 25 30 o 47.76809 0.7538765 22.84409       0.7194517 23.50078       1.047039  22.25670       0.9902508 1.295601       1.507753  
1 1 1 -15 25 31 o 33.85304 1.163482  11.43628       0.7844368 12.77106       1.173492  10.35804       1.054712  3.541073       2.326964  
1 1 1 -15 25 32 o 14.05229 1.173983  2.024574       0.3238139 1.704531       0.4794683 2.292966       0.4390768 -2.101876      2.347966  
1 1 1 -15 25 33 o 24.27941 0.8412506 5.872084       0.4058456 6.284379       0.6173282 5.558246       0.5385982 1.483688       1.682501  
1 1 1 -15 25 34 f 37.29292 0.7511415 13.86443       0.5569652 14.67960       0.8431526 13.23333       0.7418681 1.925556       1.502283  
1 1 1 -15 25 35 o 74.21275 0.9354503 55.22443       1.387060  53.02449       1.910362  57.67732       2.017195  -3.116379      1.870901  
1 1 1 -15 25 36 o 41.23347 0.7515526 16.90480       0.6157128 18.33080       0.9380448 15.82538       0.8161282 3.020210       1.503105  
1 1 1 -15 25 37 o 17.50653 1.121739  3.092101       0.3920364 2.944471       0.5620638 3.231967       0.5470859 -0.8244610     2.243478  
1 1 1 -15 25 38 o 44.77445 0.8591255 19.54787       0.7540390 17.36252       0.9573958 23.11804       1.223703  -6.378300      1.718251  
1 1 1 -15 25 39 o 40.58723 0.8958381 16.56595       0.7175862 16.61525       0.9423010 16.49788       1.107155  0.1773758      1.791676  
1 1 1 -15 25 40 o 34.35840 0.9769579 11.82332       0.6698462 10.98117       0.9128773 12.80569       0.9859481 -2.639240      1.953916  
1 1 1 -15 25 41 o 23.68551 1.196455  5.619518       0.5573916 5.898048       0.8803213 5.433132       0.7201311 0.9367809      2.392909  
1 1 1 -15 25 42 o 27.28644 1.163656  7.674004       0.6203936 6.560680       0.9392906 8.535531       0.8262732 -3.651114      2.327313  
1 1 1 -15 25 43 o 15.83962 1.644475  2.427885       0.5067805 3.164599       0.8442551 2.012902       0.6336358 3.550307       3.288949  
1 1 1 -15 25 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 26 1  o 71.82892 0.8751259 51.71167       1.256899  51.11927       1.755202  52.33519       1.800718  -0.8417130     1.750252  
1 1 1 -15 26 2  f 12.13080 0.8004009 1.431116       0.1913000 1.780956       0.3022307 1.197268       0.2470988 2.400664       1.600802  
1 1 1 -15 26 3  o 50.27278 0.7048734 25.31130       0.7086688 25.60034       1.009531  25.03049       0.9950445 0.5655746      1.409747  
1 1 1 -15 26 4  o 27.22921 0.6255845 7.031428       0.3313181 9.771800       0.5421280 5.397725       0.4185849 8.023090       1.251169  
1 1 1 -15 26 5  o 7.650467 1.094465  0.6937758      0.1820177 0.5065732E-01  0.2810809 1.158218       0.2388646 -6.201682      2.188930  
1 1 1 -15 26 6  o 8.169544 1.177742  0.7572643      0.1861172 0.3724134      0.2890707 1.029760       0.2432414 -3.932728      2.355483  
1 1 1 -15 26 7  o 32.11806 0.6376359 10.33157       0.4094322 10.23776       0.5857410 10.42120       0.5725340 -0.2865314     1.275272  
1 1 1 -15 26 8  o 48.36788 0.9636798 23.80898       0.8367530 24.26410       0.9909374 22.67820       1.561967  1.700550       1.927360  
1 1 1 -15 26 9  o 62.48989 1.244744  39.19770       1.553960  38.25853       2.138502  40.24844       2.261952  -1.574482      2.489488  
1 1 1 -15 26 10 o 59.23581 1.215498  35.14186       1.437080  33.49205       1.957292  37.07141       2.116737  -2.998791      2.430996  
1 1 1 -15 26 11 o 60.02304 1.225218  35.94254       1.465357  39.59473       2.187606  32.97013       1.973541  5.487701       2.450435  
1 1 1 -15 26 12 o 69.83760 1.316047  48.93716       1.834288  47.35373       2.498875  50.78720       2.701056  -2.426735      2.632095  
1 1 1 -15 26 13 o 34.56023 0.9217623 11.71787       0.5434448 12.48038       1.128143  11.48746       0.6201391 1.382164       1.843525  
1 1 1 -15 26 14 o 10.91738 1.266923  1.433543       0.2420154 0.5466819      0.3700364 2.096479       0.3199284 -7.093346      2.533846  
1 1 1 -15 26 15 o 52.65720 0.7410932 27.78002       0.7804046 27.84923       1.111919  27.71282       1.095580  0.1280289      1.482186  
1 1 1 -15 26 16 o 61.08425 0.8052304 37.28672       0.9819567 39.24995       1.442826  35.59275       1.340235  2.983170       1.610461  
1 1 1 -15 26 17 o 45.20491 0.7045087 20.42121       0.6360406 21.42301       0.9303195 19.54200       0.8715485 2.075218       1.409017  
1 1 1 -15 26 18 o 66.49254 0.8446326 44.28157       1.122269  45.43433       1.628308  43.23848       1.548923  1.642403       1.689265  
1 1 1 -15 26 19 o 42.91376 0.7061824 18.06594       0.5990593 21.10276       0.9383588 15.97672       0.7783075 5.957371       1.412365  
1 1 1 -15 26 20 o 81.63165 0.9734520 66.84170       1.588589  68.07162       2.287899  65.69673       2.207467  1.444054       1.946904  
1 1 1 -15 26 21 o 32.88774 0.6951331 10.49965       0.4500707 13.18530       0.7125933 8.717310       0.5805131 6.780283       1.390266  
1 1 1 -15 26 22 o 53.22788 0.8113944 28.34013       0.8540368 28.83064       1.315082  27.98238       1.123094  0.7753754      1.622789  
1 1 1 -15 26 23 f 54.46502 1.009592  29.79208       1.099509  29.32426       1.562683  30.25074       1.547314  -0.8527298     2.019185  
1 1 1 -15 26 24 o 34.72695 0.8848903 12.07460       0.6117643 12.33974       0.9142484 11.85963       0.8232238 0.6795502      1.769781  
1 1 1 -15 26 25 f 50.93549 0.8891297 25.06291       0.8615576 23.10948       1.048443  29.12508       1.511907  -5.844810      1.778259  
1 1 1 -15 26 26 o 72.00560 0.9039372 51.92551       1.300055  53.94560       1.898936  50.14337       1.783591  2.624664       1.807874  
1 1 1 -15 26 27 o 59.05962 0.8086922 34.80869       0.9522433 37.14892       1.416739  32.88023       1.286074  3.597252       1.617384  
1 1 1 -15 26 28 o 39.53815 0.7230088 15.50814       0.5684716 17.26796       0.8617446 14.15228       0.7563980 3.927330       1.446018  
1 1 1 -15 26 29 o 38.32378 0.7395812 14.65103       0.5650226 15.65275       0.8416449 13.82917       0.7623518 2.368935       1.479162  
1 1 1 -15 26 30 o 21.23195 1.539019  4.534924       0.6471226 5.490844       0.9528556 3.716575       0.8816282 4.159124       3.078038  
1 1 1 -15 26 31 o 29.33858 0.7874925 8.641834       0.4588120 8.569112       0.6895901 8.699596       0.6145843 -0.2328110     1.574985  
1 1 1 -15 26 32 o 15.78185 1.144461  2.348030       0.3399479 3.865963       0.5557294 1.440395       0.4297273 7.659413       2.288923  
1 1 1 -15 26 33 o 32.54682 0.7700951 10.64473       0.4987960 10.43754       0.7393107 10.81784       0.6757717 -0.5935593     1.540190  
1 1 1 -15 26 34 o 41.04720 0.7630931 16.90138       0.6244729 15.15324       0.8710929 18.74968       0.8956972 -4.377151      1.526186  
1 1 1 -15 26 35 o 20.92337 0.9518469 4.407488       0.3915213 4.362814       0.6111468 4.438586       0.5098953 -0.2005291     1.903694  
1 1 1 -15 26 36 o 16.55848 1.161100  2.819754       0.3727651 2.513540       0.5861924 3.027651       0.4830039 -1.578433      2.322201  
1 1 1 -15 26 37 o 33.00942 0.8740426 10.86166       0.5747309 9.799486       0.7748655 12.16062       0.8568954 -3.560619      1.748085  
1 1 1 -15 26 38 o 40.59615 0.9612544 16.57200       0.7792131 17.87427       1.114983  15.32879       1.089409  3.129604       1.922509  
1 1 1 -15 26 39 o 38.65534 1.057431  15.15097       0.8120669 13.56316       1.171350  16.62033       1.126816  -3.965435      2.114862  
1 1 1 -15 26 40 o 35.67801 1.065207  12.84848       0.7557099 12.67248       1.126651  12.99242       1.018921  -0.4771996     2.130415  
1 1 1 -15 26 41 o 30.70925 1.101197  9.463548       0.6668472 9.781374       1.040821  9.242240       0.8685204 0.8314571      2.202394  
1 1 1 -15 26 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 27 1  o 78.09402 0.9335840 61.14781       1.457503  62.55869       2.099703  59.83582       2.024779  1.733887       1.867168  
1 1 1 -15 27 2  o 13.80647 0.7479392 1.934652       0.2033484 1.740591       0.3062442 2.087691       0.2719557 -1.260429      1.495878  
1 1 1 -15 27 3  o 32.34433 0.6239583 10.47414       0.4034469 10.03976       0.5657935 10.92347       0.5754492 -1.365286      1.247917  
1 1 1 -15 27 4  o 27.38540 0.6306175 7.509030       0.3441532 6.680429       0.4794468 8.389786       0.4943056 -3.119682      1.261235  
1 1 1 -15 27 5  o 21.54062 0.6514398 4.552326       0.2776561 5.363731       0.4322622 3.982401       0.3622740 3.200270       1.302880  
1 1 1 -15 27 6  o 29.28522 0.6455666 8.409212       0.3727551 6.699351       0.4919487 10.71430       0.5711936 -6.848154      1.291133  
1 1 1 -15 27 7  o 46.14570 0.7042975 21.23476       0.6484166 19.88175       0.8805700 22.83738       0.9583598 -3.195221      1.408595  
1 1 1 -15 27 8  o 48.71340 0.7141888 23.72082       0.6950055 22.53331       0.9561607 25.05104       1.011986  -2.578918      1.428378  
1 1 1 -15 27 9  o 44.73877 0.6923949 19.84155       0.6155332 21.90371       0.9379845 18.28184       0.8157498 4.036491       1.384790  
1 1 1 -15 27 10 o 61.79047 0.8067071 38.27501       0.9969254 38.22208       1.412579  38.32754       1.407167  -0.8592606E-01 1.613414  
1 1 1 -15 27 11 o 94.21141 1.084202  89.11124       2.042041  87.71555       2.839410  90.60648       2.938924  -1.519753      2.168404  
1 1 1 -15 27 12 o 37.43978 0.6799473 14.03309       0.5088944 13.43523       0.7106235 14.66245       0.7291030 -1.637234      1.359895  
1 1 1 -15 27 13 o 39.70210 0.6804243 15.78907       0.5400134 15.11690       0.7587995 16.47887       0.7686853 -1.714321      1.360849  
1 1 1 -15 27 14 o 68.81557 0.8626285 47.46381       1.186836  46.46291       1.652076  48.53125       1.706105  -1.496475      1.725257  
1 1 1 -15 27 15 o 12.84418 1.006186  1.638188       0.2544434 1.755278       0.4021549 1.560027       0.3285698 0.7499590      2.012371  
1 1 1 -15 27 16 f 18.11669 0.8160639 3.281527       0.2946324 3.394228       0.4384651 3.188743       0.3978377 0.5625401      1.632128  
1 1 1 -15 27 17 o 9.995688 1.969539  0.8271623      0.3455040 0.6598258      0.3848777 1.521773       0.7841480 -4.016577      3.939077  
1 1 1 -15 27 18 o 27.68783 1.036176  7.657259       0.5010474 7.613103       0.5803471 7.786529       0.9929759 -0.2538090     2.072352  
1 1 1 -15 27 19 o 40.79401 1.730942  0.000000       0.000000  ?              ?         16.74411       1.412241  ?              ?         
1 1 1 -15 27 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 27 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 27 22 o 76.37592 1.421150  58.84063       2.169047  58.94215       3.008722  58.73076       3.129854  0.1643906      2.842300  
1 1 1 -15 27 23 o 48.06094 1.187769  23.24172       1.140696  23.18541       1.579463  23.30312       1.649169  -0.1093864     2.375538  
1 1 1 -15 27 24 o 50.58007 1.173478  25.71843       1.186080  25.04300       1.636831  26.46518       1.721078  -1.389423      2.346955  
1 1 1 -15 27 25 o 62.64803 1.068936  39.22397       1.231549  40.08849       2.245947  38.85225       1.472698  0.8461342      2.137871  
1 1 1 -15 27 26 o 85.52583 1.281502  73.24677       2.021858  75.03857       3.667941  72.46472       2.423253  1.228951       2.563004  
1 1 1 -15 27 27 o 31.69541 1.020980  9.922241       0.5566511 10.44544       1.137919  9.757654       0.6382288 0.9976883      2.041960  
1 1 1 -15 27 28 f 78.17574 1.214469  61.51958       1.763154  61.69632       3.143857  61.43849       2.129581  -0.5001831E-01 2.428938  
1 1 1 -15 27 29 o 15.25380 1.790375  2.438936       0.4455137 2.348445       0.9205289 2.466615       0.5091111 -0.7965307     3.580751  
1 1 1 -15 27 30 o 16.30621 1.306517  2.810325       0.3887615 2.354609       0.6793388 3.032241       0.4740595 -2.126908      2.613034  
1 1 1 -15 27 31 f 36.36266 0.8554621 13.03040       0.5972161 14.14205       1.013764  12.43955       0.7390789 2.294563       1.710924  
1 1 1 -15 27 32 o 27.36147 0.9407115 7.428221       0.4817265 7.795681       0.8560919 7.257959       0.5827395 0.9314899      1.881423  
1 1 1 -15 27 33 o 46.13915 0.8809646 21.35916       0.7851958 21.50499       1.291690  21.27369       0.9888780 0.1935081      1.761929  
1 1 1 -15 27 34 o 6.875618 1.980125  0.1264927      0.3955919 0.4689427      0.7409627 -0.1003352E-01 0.4678491 2.665986       3.960249  
1 1 1 -15 27 35 o 71.96593 1.652865  51.92127       2.120411  54.36145       4.091146  51.02502       2.479423  1.742783       3.305730  
1 1 1 -15 27 36 o 8.830336 2.741468  0.000000       0.000000  ?              ?         0.7979430      0.5344285 ?              ?         
1 1 1 -15 27 37 o 20.98811 1.693398  0.000000       0.000000  ?              ?         4.448252       0.7108243 ?              ?         
1 1 1 -15 27 38 o 32.47766 2.442856  0.000000       0.000000  ?              ?         10.77241       1.586765  ?              ?         
1 1 1 -15 27 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 27 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 28 1  o 106.3248 1.198227  113.7211       2.548016  113.7844       3.599417  113.6576       3.607472  0.6104279E-01  2.396453  
1 1 1 -15 28 2  o 73.14618 0.8951530 53.31525       1.303758  57.51652       1.959482  49.97787       1.746439  5.125267       1.790306  
1 1 1 -15 28 3  f 31.53201 0.6322522 9.925505       0.3978511 10.45569       0.5868460 9.474565       0.5412131 1.551554       1.264504  
1 1 1 -15 28 4  o 57.09460 0.7704363 32.67528       0.8797201 32.94311       1.250934  32.41322       1.237401  0.4625282      1.540873  
1 1 1 -15 28 5  o 42.76614 0.6802481 17.59254       0.5692588 22.17504       0.9293550 14.84076       0.7201737 8.554115       1.360496  
1 1 1 -15 28 6  o 39.81580 0.6638236 15.84989       0.5280749 15.00931       0.7288582 16.77872       0.7661586 -2.218399      1.327647  
1 1 1 -15 28 7  o 13.79412 0.8632734 1.840349       0.2295101 2.703891       0.3603809 1.251136       0.2976846 5.258162       1.726547  
1 1 1 -15 28 8  f 31.63869 0.6494967 9.910998       0.4084355 11.13776       0.6209420 8.975463       0.5422519 3.409729       1.298993  
1 1 1 -15 28 9  o 11.31418 1.190639  1.489758       0.2308062 0.6110160      0.3397422 2.242927       0.3145320 -7.290396      2.381278  
1 1 1 -15 28 10 o 16.11502 0.7962498 2.523327       0.2526260 3.145008       0.4008017 2.113548       0.3254021 3.191541       1.592500  
1 1 1 -15 28 11 o 40.00529 0.6837764 15.92864       0.5452680 14.51416       0.7377148 17.63192       0.8095296 -3.889503      1.367553  
1 1 1 -15 28 12 o 69.88969 0.8754857 48.91405       1.222318  47.28991       1.679772  50.74186       1.781991  -2.456474      1.750971  
1 1 1 -15 28 13 o 22.64842 0.7268263 5.006759       0.3248762 6.205104       0.5078067 4.176426       0.4227012 4.469568       1.453653  
1 1 1 -15 28 14 o 19.60019 0.7817757 3.916714       0.3011549 3.220476       0.4384702 4.538451       0.4143474 -3.364880      1.563551  
1 1 1 -15 28 15 o 31.59138 0.7672812 9.917092       0.4683121 10.34039       0.7766159 9.675217       0.5870569 1.031204       1.534562  
1 1 1 -15 28 16 o 34.19028 0.8350631 11.72863       0.5690549 10.48224       0.7952213 13.03671       0.8146610 -3.733212      1.670126  
1 1 1 -15 28 17 f 23.12079 0.8599682 5.340539       0.3947859 5.545379       0.6000199 5.184170       0.5242441 0.7709332      1.719936  
1 1 1 -15 28 18 o 8.964326 1.541696  0.8449611      0.2732689 0.8347391      0.4040348 0.8535798      0.3709966 -0.1035309     3.083392  
1 1 1 -15 28 19 o 22.15384 0.7669668 4.896108       0.3385031 5.201363       0.5064647 4.649652       0.4550790 1.238569       1.533934  
1 1 1 -15 28 20 o 26.33635 0.7232528 6.940382       0.3795245 7.102487       0.5644497 6.806623       0.5127279 0.5552444      1.446506  
1 1 1 -15 28 21 o 32.61275 0.7188347 10.68096       0.4677793 9.863217       0.6624582 11.49418       0.6606253 -2.500727      1.437669  
1 1 1 -15 28 22 o 75.26875 0.9301891 56.89551       1.400183  57.11056       1.993694  56.68620       1.966894  0.2775040      1.860378  
1 1 1 -15 28 23 f 49.48022 0.7590977 24.45082       0.7489650 25.83942       1.112621  23.30022       1.012795  2.552494       1.518195  
1 1 1 -15 28 24 o 51.07301 0.7692667 26.16422       0.7856300 26.04393       1.120420  26.28057       1.101908  -0.2341995     1.538533  
1 1 1 -15 28 25 o 27.53938 0.7643586 7.460079       0.4168175 8.770225       0.6461722 6.526450       0.5454763 4.059765       1.528717  
1 1 1 -15 28 26 o 72.32602 0.9161141 52.53061       1.324977  51.77102       1.854173  53.32323       1.894066  -1.066193      1.832228  
1 1 1 -15 28 27 o 35.92340 0.7490665 12.85908       0.5356367 13.80560       0.8065341 12.11219       0.7164513 2.343773       1.498133  
1 1 1 -15 28 28 o 105.1818 1.204929  111.3014       2.530836  107.5005       3.464582  115.6500       3.705874  -3.816040      2.409857  
1 1 1 -15 28 29 o 40.50222 0.7524363 16.38726       0.6067011 17.16105       0.9104987 15.76932       0.8136554 1.703270       1.504873  
1 1 1 -15 28 30 o 43.07115 0.7619744 18.63563       0.6557456 17.96127       0.9359174 19.28588       0.9190414 -1.540497      1.523949  
1 1 1 -15 28 31 o 47.12918 0.8366245 22.24632       0.7831739 21.79008       1.043217  22.83553       1.185532  -1.082611      1.673249  
1 1 1 -15 28 32 o 42.37489 0.8923196 18.04771       0.7556062 17.09809       1.062758  19.01845       1.074516  -2.263615      1.784639  
1 1 1 -15 28 33 o 21.10103 1.208400  4.526921       0.4991728 4.326656       0.7813674 4.665012       0.6488364 -0.8379307     2.416801  
1 1 1 -15 28 34 o 10.71936 1.974337  1.163412       0.4162138 1.489175       0.6948511 0.9811251      0.5197790 2.167720       3.948673  
1 1 1 -15 28 35 o 25.55898 1.126632  6.727464       0.5638281 5.483212       0.8288559 7.799124       0.7692256 -4.547106      2.253263  
1 1 1 -15 28 36 o 43.41100 1.026801  18.77301       0.8828316 20.45123       1.366742  17.57146       1.156463  3.263653       2.053601  
1 1 1 -15 28 37 o 30.98902 1.435023  0.000000       0.000000  ?              ?         9.672489       0.8893989 ?              ?         
1 1 1 -15 29 1  f 14.79179 0.7650532 2.036292       0.2132627 3.368044       0.3529516 1.270501       0.2676447 7.079262       1.530106  
1 1 1 -15 29 2  o 32.46333 0.6398670 10.47541       0.4137046 11.54420       0.6202801 9.619015       0.5552413 2.958010       1.279734  
1 1 1 -15 29 3  o 53.01811 0.7468238 28.14893       0.7913878 29.26040       1.144147  27.12940       1.095800  2.003532       1.493648  
1 1 1 -15 29 4  o 69.99566 0.8709771 49.14162       1.218810  50.22427       1.754091  48.13099       1.694755  1.486542       1.741954  
1 1 1 -15 29 5  o 26.64724 0.6555069 7.110902       0.3480366 6.303602       0.4839048 7.976017       0.5009328 -3.136189      1.311014  
1 1 1 -15 29 6  o 62.14209 0.8105395 38.60616       1.005184  40.68757       1.482469  36.83491       1.367564  3.084194       1.621079  
1 1 1 -15 29 7  o 36.94877 0.6722380 13.66016       0.4963647 12.99146       0.6872436 14.38940       0.7176762 -1.888271      1.344476  
1 1 1 -15 29 8  o 59.63837 0.7952654 35.65404       0.9482356 34.90641       1.319835  36.45164       1.363233  -1.289669      1.590531  
1 1 1 -15 29 9  o 43.43224 0.6998121 18.87889       0.6074203 18.05005       0.8403360 19.78579       0.8790128 -1.993618      1.399624  
1 1 1 -15 29 10 o 23.25210 0.6962758 5.445243       0.3222376 4.980422       0.4644852 5.876536       0.4474194 -1.928978      1.392552  
1 1 1 -15 29 11 o 32.77102 0.7415762 10.88161       0.4786744 10.01963       0.7263700 11.54331       0.6364105 -2.336128      1.483152  
1 1 1 -15 29 12 o 48.18431 0.9109728 23.29133       0.8773988 22.25033       1.222184  24.39837       1.260355  -2.222942      1.821946  
1 1 1 -15 29 13 o 70.60326 1.173323  50.17244       1.656553  49.19461       2.319156  51.19104       2.367018  -1.404007      2.346646  
1 1 1 -15 29 14 o 8.424063 1.478404  0.7324887      0.2467045 0.8587395      0.3780775 0.6388718      0.3255672 1.226725       2.956808  
1 1 1 -15 29 15 o 41.91789 0.7017597 17.60198       0.5879915 17.95977       0.8489094 17.27203       0.8152054 0.8161812      1.403519  
1 1 1 -15 29 16 o 42.00347 0.7106298 17.63670       0.5960594 16.43168       0.8196563 18.98917       0.8683610 -3.038273      1.421260  
1 1 1 -15 29 17 o 29.76381 0.7058996 8.908454       0.4188741 8.370336       0.6042087 9.406395       0.5812151 -1.743324      1.411799  
1 1 1 -15 29 18 o 33.06774 0.7055682 10.91008       0.4646308 11.49975       0.6964924 10.43724       0.6236929 1.597477       1.411136  
1 1 1 -15 29 19 o 54.25540 0.7787042 29.41525       0.8433293 27.66755       1.150288  31.44640       1.240061  -3.469967      1.557408  
1 1 1 -15 29 20 o 26.94091 0.7330312 7.302090       0.3927279 7.028044       0.5810071 7.532639       0.5329073 -0.9428806     1.466062  
1 1 1 -15 29 21 o 8.965067 1.562641  0.8503668      0.2749589 0.8078551      0.4347934 0.8786980      0.3549458 -0.3683062     3.125281  
1 1 1 -15 29 22 o 28.43703 0.7448059 8.073442       0.4222875 8.578236       0.6281041 7.657053       0.5704585 1.611414       1.489612  
1 1 1 -15 29 23 o 18.38613 0.9173847 3.444793       0.3321455 3.032219       0.4957490 3.780832       0.4474108 -2.044472      1.834769  
1 1 1 -15 29 24 o 5.123149 1.545254  -0.8035528E-02 0.2753640 0.5567676E-01  0.4295008 -0.5250124E-01 0.3588104 0.8012819      3.090508  
1 1 1 -15 29 25 o 76.06959 0.9480140 58.16370       1.442284  57.77805       2.035532  58.55253       2.043889  -0.5074615     1.896028  
1 1 1 -15 29 26 o 32.51151 1.303419  10.69115       0.8459685 10.45412       1.225917  10.90663       1.168881  -0.7119026     2.606839  
1 1 1 -15 29 27 o 68.16801 0.9649786 46.63980       1.303210  46.01035       1.723171  47.48092       1.991940  -1.020729      1.929957  
1 1 1 -15 29 28 o 44.74725 0.8186928 20.09235       0.7300526 19.93793       0.9895817 20.27676       1.081421  -0.3620186     1.637386  
1 1 1 -15 29 29 o 24.82234 0.9645669 6.201276       0.4784177 5.896427       0.6765577 6.506176       0.6766118 -1.228214      1.929134  
1 1 1 -15 29 30 o 33.50689 0.9759203 11.26846       0.6474921 11.49374       0.9922532 11.10139       0.8544952 0.5546227      1.951841  
1 1 1 -15 29 31 o 30.46429 1.003876  9.060163       0.5978664 10.68485       0.9790733 8.094109       0.7549729 4.198112       2.007752  
1 1 1 -15 29 32 o 37.61199 0.9926277 14.32941       0.7422172 13.07987       1.076803  15.46042       1.024459  -3.177628      1.985255  
1 1 1 -15 29 33 o 43.98785 1.026057  19.53612       0.9003972 18.65660       1.301024  20.34461       1.247377  -1.932308      2.052114  
1 1 1 -15 29 34 o 37.20580 1.019254  13.98357       0.7547306 13.47477       1.111935  14.41822       1.027732  -1.288929      2.038507  
1 1 1 -15 29 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 30 1  o 42.33355 1.785079  19.32378       1.340862  20.92730       1.608670  15.67402       2.426958  6.457764       3.570158  
1 1 1 -15 30 2  f 33.59421 1.928364  12.09935       1.120564  12.79442       1.315768  10.26418       2.137979  4.037947       3.856728  
1 1 1 -15 30 3  o 31.78018 1.115840  10.92324       0.5829490 8.820856       1.183531  11.59667       0.6698379 -4.463055      2.231681  
1 1 1 -15 30 4  o 29.46273 0.6813468 8.651407       0.4002760 7.853144       0.5441844 9.592420       0.5908410 -2.945923      1.362694  
1 1 1 -15 30 5  o 47.55247 0.7679079 22.26330       0.7180376 20.56242       0.9207827 24.90259       1.147001  -4.532288      1.535816  
1 1 1 -15 30 6  o 38.37734 0.7100922 14.75489       0.5437776 14.60813       0.7425462 14.92461       0.7985383 -0.4051933     1.420184  
1 1 1 -15 30 7  o 9.333099 1.261856  0.8218272      0.2295281 1.570066       0.3734971 0.3677732      0.2909516 6.323440       2.523713  
1 1 1 -15 30 8  o 13.41036 1.008311  1.845498       0.2625955 1.626304       0.4096717 1.998367       0.3421222 -1.399267      2.016622  
1 1 1 -15 30 9  o 31.87770 0.7916542 10.13711       0.5010003 8.526877       0.6832162 12.01015       0.7368644 -5.455862      1.583308  
1 1 1 -15 30 10 o 26.73446 0.7246011 7.160590       0.3862975 7.939046       0.5558671 6.433474       0.5372241 2.813345       1.449202  
1 1 1 -15 30 11 o 59.36918 0.8594036 34.91039       1.001166  33.09616       1.282180  37.74443       1.602526  -3.864468      1.718807  
1 1 1 -15 30 12 o 35.25034 0.7223823 12.39456       0.5064672 14.37857       0.7436016 10.67778       0.6917154 5.242424       1.444765  
1 1 1 -15 30 13 o 57.73557 0.8489584 33.36695       0.9709105 32.80266       1.282139  34.12554       1.486583  -1.113312      1.697917  
1 1 1 -15 30 14 o 80.74689 1.045658  65.70925       1.684851  70.20966       2.369941  61.11032       2.395746  5.639572       2.091316  
1 1 1 -15 30 15 o 11.25477 1.218463  1.265855       0.2720182 1.360521       0.4175413 1.196050       0.3585464 0.7168360      2.436926  
1 1 1 -15 30 16 o 53.41829 0.8209785 28.71066       0.8744668 29.75619       1.205082  27.54780       1.270907  2.077618       1.641957  
1 1 1 -15 30 17 o 52.48272 0.8211586 27.60018       0.8546668 27.28405       1.134258  28.01543       1.299983  -0.6698532     1.642317  
1 1 1 -15 30 18 o 35.54111 0.7488391 12.67229       0.5316488 12.68516       0.7342678 12.65812       0.7707911 0.4349136E-01  1.497678  
1 1 1 -15 30 19 o 27.76912 0.7721121 7.728685       0.4284278 7.280046       0.5959738 8.208471       0.6163149 -1.668541      1.544224  
1 1 1 -15 30 20 o 25.93519 0.7949116 6.742511       0.4119876 6.379952       0.5723072 7.132484       0.5935501 -1.447332      1.589823  
1 1 1 -15 30 21 o 27.59480 0.7841783 7.644119       0.4327278 7.737330       0.6096851 7.549496       0.6142797 0.3411160      1.568357  
1 1 1 -15 30 22 o 25.74960 0.8346207 6.593604       0.4276842 5.937262       0.5723817 7.423237       0.6435229 -2.872204      1.669241  
1 1 1 -15 30 23 f 38.71389 0.7850838 15.04530       0.6061761 15.03857       0.8269075 15.05312       0.8912262 -0.7556915E-02 1.570168  
1 1 1 -15 30 24 o 36.45330 0.8288088 13.34100       0.6036499 12.53732       0.8450550 14.17838       0.8625949 -2.247711      1.657618  
1 1 1 -15 30 25 o 29.55671 1.020676  8.264185       0.5762621 7.143028       0.7002076 10.61742       1.014440  -5.805550      2.041353  
1 1 1 -15 30 26 o 12.24671 1.615457  1.672309       0.3697793 1.061484       0.5710039 2.113506       0.4852844 -4.450778      3.230915  
1 1 1 -15 30 27 o 32.70810 0.9352882 10.81009       0.6080259 10.23603       0.8968767 11.29831       0.8271111 -1.639259      1.870576  
1 1 1 -15 30 28 f 23.31570 1.032897  5.502841       0.4735969 5.327710       0.7338712 5.627831       0.6199763 -0.6725674     2.065794  
1 1 1 -15 30 29 o 30.32785 0.9803593 9.348369       0.5888957 8.177651       0.8539907 10.40981       0.8131575 -3.690035      1.960719  
1 1 1 -15 30 30 o 13.41072 1.664975  1.905461       0.4210305 1.690648       0.6691030 2.046270       0.5417231 -1.610264      3.329950  
1 1 1 -15 30 31 o 35.34958 1.015496  12.71723       0.7082937 11.62641       1.064817  13.58291       0.9485857 -2.796387      2.030991  
1 1 1 -15 30 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 31 1  f 24.20406 0.7377729 5.930767       0.3536862 5.358625       0.5210465 6.419657       0.4816489 -2.197910      1.475546  
1 1 1 -15 31 2  f 61.75924 1.042850  38.30102       1.286523  36.71529       1.766593  40.09169       1.877286  -2.709625      2.085701  
1 1 1 -15 31 3  o 34.63539 0.7666947 12.02733       0.5300886 12.18800       0.7761349 11.88685       0.7257190 0.4268303      1.533389  
1 1 1 -15 31 4  o 41.41275 0.8233531 17.22194       0.6816591 17.02095       0.9748340 17.41424       0.9535416 -0.4783974     1.646706  
1 1 1 -15 31 5  o 5.753137 1.426492  0.2161803      0.2063924 0.5160186      0.3473531 0.5254918E-01  0.2566023 2.773105       2.852984  
1 1 1 -15 31 6  o 41.74326 0.8392028 17.44765       0.6988935 18.14279       1.032398  16.85958       0.9495592 1.522942       1.678406  
1 1 1 -15 31 7  o 16.60761 0.8960880 2.720062       0.2936736 3.078397       0.4633846 2.479527       0.3796531 1.787785       1.792176  
1 1 1 -15 31 8  f 67.42616 1.393239  45.71609       1.878815  45.71609       1.878815  ?              ?         ?              ?         
1 1 1 -15 31 9  o 64.12406 2.664344  41.96044       3.416970  41.96044       3.416970  ?              ?         ?              ?         
1 1 1 -15 31 10 o 41.84518 2.543579  17.83944       2.128730  17.83944       2.128730  ?              ?         ?              ?         
1 1 1 -15 31 11 o 31.21168 1.515742  10.11512       0.6630386 9.530636       1.717844  10.21744       0.7187327 -1.387110      3.031483  
1 1 1 -15 31 12 o 56.50193 1.461515  32.74536       1.414680  31.51818       2.840512  33.15016       1.631402  -1.802151      2.923031  
1 1 1 -15 31 13 o 34.77282 0.7904846 11.98373       0.5460429 14.02515       0.8241348 10.38631       0.7290248 5.216080       1.580969  
1 1 1 -15 31 14 o 57.30418 0.9165127 32.87054       1.021543  32.42170       1.297148  33.60350       1.657607  -0.9587555     1.833025  
1 1 1 -15 31 15 o 34.99619 0.7751947 12.26054       0.5390477 12.01353       0.7190845 12.57742       0.8144479 -0.7891541     1.550389  
1 1 1 -15 31 16 o 89.27704 1.247369  81.07300       2.157581  82.96619       2.749598  78.03934       3.480595  2.960754       2.494738  
1 1 1 -15 31 17 o 16.51575 0.9757742 2.736898       0.3218965 2.908345       0.4691579 2.584398       0.4424739 0.9749527      1.951548  
1 1 1 -15 31 18 f 50.64880 0.9138446 25.81532       0.9236581 26.26842       1.271383  25.30886       1.344152  0.9619179      1.827689  
1 1 1 -15 31 19 o 19.07390 0.9590240 3.650398       0.3645014 3.756878       0.5423554 3.562684       0.4922457 0.4984035      1.918048  
1 1 1 -15 31 20 o 41.64465 0.8603254 17.17045       0.7097549 15.67726       0.9289309 19.26478       1.100139  -4.274075      1.720651  
1 1 1 -15 31 21 o 27.33709 0.9364311 7.594523       0.5056878 6.337312       0.7238218 8.793242       0.7067837 -4.495562      1.872862  
1 1 1 -15 31 22 o 70.78018 1.211475  50.59157       1.714457  50.41535       2.452300  50.76005       2.397833  -0.2590256     2.422950  
1 1 1 -15 31 23 o 57.69891 1.494720  0.000000       0.000000  ?              ?         33.54756       1.724874  ?              ?         
1 1 1 -15 31 24 o 46.99602 0.9817834 22.19761       0.9211662 20.41249       1.276018  24.14042       1.331184  -3.952621      1.963567  
1 1 1 -15 31 25 o 65.20448 1.161830  42.91660       1.513870  43.07215       2.187669  42.77365       2.097075  0.2025375      2.323660  
1 1 1 -15 31 26 o 16.86837 1.243457  2.884193       0.4122686 2.829006       0.6421256 2.922895       0.5377370 -0.3098297     2.486913  
1 1 1 -15 31 27 o 18.28797 1.227629  3.393290       0.4390405 3.312706       0.6935100 3.447187       0.5671667 -0.4056950     2.455259  
1 1 1 -15 31 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 32 1  o 26.72248 0.7251289 7.183029       0.3862570 6.904547       0.5630360 7.430611       0.5308809 -0.9896355     1.450258  
1 1 1 -15 32 2  o 48.49828 0.8857707 23.58036       0.8572417 24.48322       1.263687  22.81070       1.166752  1.704796       1.771541  
1 1 1 -15 32 3  o 40.93742 0.8150630 16.83325       0.6668767 16.73517       0.9594554 16.92492       0.9275650 -0.2376442     1.630126  
1 1 1 -15 32 4  o 61.72726 1.047151  38.36874       1.292628  38.36292       1.840894  38.37440       1.815475  -0.1529312E-01 2.094302  
1 1 1 -15 32 5  f 40.84588 0.8263591 16.66152       0.6720617 17.72562       1.009451  15.81435       0.9006968 2.319424       1.652718  
1 1 1 -15 32 6  o 56.57323 0.9902728 32.19443       1.119903  32.51006       1.612614  31.90040       1.556443  0.5263367      1.980546  
1 1 1 -15 32 7  o 52.92458 0.9515150 27.96039       1.001505  30.10213       1.516734  26.30472       1.333564  3.548431       1.903030  
1 1 1 -15 32 8  o 16.44517 0.9091237 2.694132       0.2953843 2.871125       0.4605333 2.570428       0.3850110 0.8988075      1.818247  
1 1 1 -15 32 9  o 36.45927 0.8156642 13.20951       0.5900325 14.42830       0.9061313 12.31233       0.7774386 2.878139       1.631328  
1 1 1 -15 32 10 o 23.83758 0.8270394 5.715254       0.3906931 5.646042       0.5920259 5.768651       0.5200015 -0.2706299     1.654079  
1 1 1 -15 32 11 o 20.08982 0.8709970 3.952239       0.3442868 4.639739       0.5507420 3.511226       0.4411000 2.786863       1.741994  
1 1 1 -15 32 12 o 49.27989 0.9346778 24.08971       0.9147309 21.51681       1.210613  27.51315       1.396448  -6.044079      1.869356  
1 1 1 -15 32 13 o 29.03012 0.8193725 8.369358       0.4715502 9.164350       0.7272708 7.792727       0.6193898 2.341930       1.638745  
1 1 1 -15 32 14 f 50.45263 0.9565964 25.40348       0.9613329 23.17310       1.292344  28.16655       1.438417  -4.915939      1.913193  
1 1 1 -15 32 15 o 9.057044 1.586627  0.7953887      0.2837639 1.222621       0.4714519 0.5526884      0.3553374 3.421010       3.173255  
1 1 1 -15 32 16 o 79.28435 1.300923  63.58058       2.062711  62.63977       2.898498  64.54594       2.936093  -1.190269      2.601847  
1 1 1 -15 32 17 o 37.59884 0.8916708 14.17950       0.6678588 12.50049       0.9211697 16.04004       0.9696869 -4.696304      1.783342  
1 1 1 -15 32 18 o 34.93379 0.8674182 12.29139       0.6045631 11.88883       0.8773865 12.65531       0.8342095 -1.106464      1.734836  
1 1 1 -15 32 19 o 11.18470 1.520462  1.264794       0.3193209 1.523212       0.5298347 1.117391       0.4001600 1.714289       3.040924  
1 1 1 -15 32 20 o 34.45773 1.055714  11.68877       0.7068455 10.87389       0.8864537 13.11150       1.171302  -3.172646      2.111428  
1 1 1 -15 32 21 o 58.16585 1.550691  34.11327       1.803945  34.11327       1.803945  ?              ?         ?              ?         
1 1 1 -15 32 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 32 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -15 33 1  o 50.78472 0.9115116 25.93749       0.9254948 25.98411       1.326996  25.89334       1.291423  0.8146286E-01  1.823023  
1 1 1 -15 33 2  o 24.90807 0.7343928 6.085598       0.3605542 7.070340       0.5723989 5.437881       0.4642272 3.257523       1.468786  
1 1 1 -15 33 3  o 27.10302 0.7532398 7.301648       0.4046979 7.906322       0.6235839 6.861646       0.5319378 1.910294       1.506480  
1 1 1 -15 33 4  o 38.56144 0.8101009 14.86680       0.6219841 15.65806       0.9333183 14.23463       0.8342346 1.825912       1.620202  
1 1 1 -15 33 5  o 25.74171 0.7548527 6.542774       0.3839910 7.355645       0.6020276 5.985269       0.4985746 2.642492       1.509705  
1 1 1 -15 33 6  o 12.84411 1.034012  1.732188       0.2538998 1.349718       0.3931381 2.005862       0.3325548 -2.569207      2.068025  
1 1 1 -15 33 7  o 24.91460 0.7769709 6.174534       0.3836608 6.657662       0.5914392 5.823534       0.5041187 1.657217       1.553942  
1 1 1 -15 33 8  o 59.59830 1.032697  35.61282       1.226147  37.64949       1.833777  33.96597       1.648974  3.043232       2.065395  
1 1 1 -15 33 9  o 9.339752 1.418642  0.9351078      0.2576815 0.7335870      0.4031206 1.074338       0.3350749 -1.956216      2.837283  
1 1 1 -15 33 10 f 45.94948 0.8902093 21.20835       0.8169808 21.61558       1.191366  20.84686       1.122479  0.8214722      1.780419  
1 1 1 -15 33 11 o 14.32543 1.033544  2.097939       0.2884248 1.918259       0.4516877 2.221642       0.3747818 -1.078046      2.067088  
1 1 1 -15 33 12 o 22.42561 0.8514709 5.115569       0.3772095 4.462972       0.5534616 5.681652       0.5154718 -2.724968      1.702942  
1 1 1 -15 33 13 o 36.94602 0.8509885 13.46065       0.6219218 11.11771       0.8223299 16.59160       0.9506112 -7.381325      1.701977  
1 1 1 -15 33 14 o 46.57307 0.9193465 21.77638       0.8542055 22.38970       1.260075  21.25486       1.161942  1.196079       1.838693  
1 1 1 -15 33 15 o 59.37860 1.061519  35.53492       1.259824  35.66068       1.815810  35.41818       1.749368  0.1865540      2.123039  
1 1 1 -15 33 16 o 46.77559 1.298832  0.000000       0.000000  ?              ?         22.01244       1.215073  ?              ?         
1 1 1 -15 33 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  1  f 216.9578 3.212982  471.5298       13.92635  467.5249       19.51501  475.6859       19.87971  -0.000000      0.000000  
1 1 1 -14 0  2  o 239.4550 3.539661  574.4933       16.93450  577.6824       24.08949  571.3776       23.81093  -0.000000      0.000000  
1 1 1 -14 0  3  o 73.41071 1.200923  53.94191       1.760375  52.61379       2.446606  55.36753       2.534830  -0.000000      0.000000  
1 1 1 -14 0  4  o 564.2349 8.308189  3177.057       93.09097  3013.097       123.7620  3390.686       141.2693  -0.000000      0.000000  
1 1 1 -14 0  5  o 317.3326 4.674359  1009.428       29.63771  1007.555       41.83620  1011.314       41.99233  -0.000000      0.000000  
1 1 1 -14 0  6  o 26.62219 0.7548930 7.110474       0.3999925 6.617534       0.5546482 7.644660       0.5773865 -0.000000      0.000000  
1 1 1 -14 0  7  o 146.6882 2.203055  215.5187       6.456748  215.2400       9.127172  215.7978       9.135275  -0.000000      0.000000  
1 1 1 -14 0  8  o 169.1201 2.523227  286.4822       8.525865  285.2473       12.00323  287.7397       12.11230  -0.000000      0.000000  
1 1 1 -14 0  9  o 133.0366 2.008345  177.1259       5.334790  173.5776       7.386556  180.9949       7.713101  -0.000000      0.000000  
1 1 1 -14 0  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  11 o 289.1046 4.265098  837.3436       24.62667  851.2012       35.45446  824.4249       34.23242  -0.000000      0.000000  
1 1 1 -14 0  12 o 402.1279 5.917578  1621.338       47.51743  1591.703       65.83768  1653.558       68.65012  -0.000000      0.000000  
1 1 1 -14 0  13 o 537.3383 7.919669  2849.500       83.68642  2625.864       107.5650  3192.456       133.2046  -0.000000      0.000000  
1 1 1 -14 0  14 o 72.55998 1.182302  52.66866       1.712131  54.28273       2.487546  51.21573       2.360114  -0.000000      0.000000  
1 1 1 -14 0  15 o 75.13544 1.220500  56.51184       1.831131  55.34340       2.544786  57.76639       2.636889  -0.000000      0.000000  
1 1 1 -14 0  16 o 242.5134 3.586698  589.3300       17.37665  583.5298       24.31233  595.3870       24.84492  -0.000000      0.000000  
1 1 1 -14 0  17 o 32.14941 0.7943479 10.31136       0.5075482 11.58853       0.7490725 9.227339       0.6901106 -0.000000      0.000000  
1 1 1 -14 0  18 o 71.54867 1.171704  51.27342       1.674480  50.86781       2.346663  51.69417       2.390080  -0.000000      0.000000  
1 1 1 -14 0  19 o 53.10840 0.9535630 28.21195       1.010380  29.38110       1.469723  27.16425       1.391288  -0.000000      0.000000  
1 1 1 -14 0  20 o 24.23104 0.8079180 5.911930       0.3895569 5.960581       0.5457717 5.861399       0.5562100 -0.000000      0.000000  
1 1 1 -14 0  21 o 172.8040 3.651884  299.2235       12.60865  299.2235       12.60865  299.2235       12.60865  -0.000000      0.000000  
1 1 1 -14 0  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  26 f 44.59288 1.268441  19.93545       1.129247  19.93545       1.129247  19.93545       1.129247  -0.000000      0.000000  
1 1 1 -14 0  27 o 38.54724 0.8677785 14.90483       0.6674545 14.62364       0.9406047 15.19002       0.9472771 -0.000000      0.000000  
1 1 1 -14 0  28 o 258.3015 3.827404  669.3722       19.75202  665.6925       27.75733  673.1469       28.11321  -0.000000      0.000000  
1 1 1 -14 0  29 o 110.7313 1.711275  122.8421       3.785785  122.5646       5.342881  123.1218       5.365005  -0.000000      0.000000  
1 1 1 -14 0  30 o 73.29241 1.232740  53.80335       1.804396  52.87595       2.522011  54.77590       2.582674  -0.000000      0.000000  
1 1 1 -14 0  31 f 323.3463 4.780921  1050.920       30.88699  1055.021       43.86554  1046.887       43.49837  -0.000000      0.000000  
1 1 1 -14 0  32 o 90.27075 1.441020  81.51394       2.595393  84.13783       3.787167  79.19033       3.563882  -0.000000      0.000000  
1 1 1 -14 0  33 o 104.3215 1.632395  109.0427       3.401939  108.1394       4.777485  109.9718       4.845371  -0.000000      0.000000  
1 1 1 -14 0  34 f 126.6701 1.939078  160.6798       4.903634  164.3402       7.101980  157.3449       6.778870  -0.000000      0.000000  
1 1 1 -14 0  35 o 60.29005 1.092319  36.42067       1.314970  35.57526       1.841096  37.30104       1.878775  -0.000000      0.000000  
1 1 1 -14 0  36 o 95.17621 1.511982  90.78084       2.874657  90.02022       4.035928  91.56406       4.095483  -0.000000      0.000000  
1 1 1 -14 0  37 o 29.17855 0.9264948 8.568151       0.5383283 8.544304       0.7620685 8.591906       0.7605562 -0.000000      0.000000  
1 1 1 -14 0  38 o 59.06819 1.082382  34.72041       1.271353  32.23875       1.704568  37.83176       1.908613  -0.000000      0.000000  
1 1 1 -14 0  39 f 82.67917 1.354490  68.52819       2.237065  68.22071       3.154605  68.83923       3.172848  -0.000000      0.000000  
1 1 1 -14 0  40 o 36.26640 0.9286824 13.20475       0.6713066 13.38468       0.9679954 13.03803       0.9317818 -0.000000      0.000000  
1 1 1 -14 0  41 f 105.1654 1.659480  110.9458       3.486328  109.8571       4.898332  112.0634       4.963132  -0.000000      0.000000  
1 1 1 -14 0  42 o 4.452156 1.876638  -0.7868147E-01 0.3454872 -0.6654977     0.4797695 0.5533790      0.4979215 -0.000000      0.000000  
1 1 1 -14 0  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  44 o 10.80210 1.991374  1.397292       0.3716298 1.571661       0.5158587 1.209154       0.5358384 -0.000000      0.000000  
1 1 1 -14 0  45 o 42.27019 0.9724177 17.93895       0.8200058 17.44946       1.154258  18.43772       1.165146  -0.000000      0.000000  
1 1 1 -14 0  46 o 45.83067 0.9902747 21.07798       0.9053435 21.24781       1.304185  20.92002       1.257774  -0.000000      0.000000  
1 1 1 -14 0  47 o 42.92598 0.9798217 18.50380       0.8391390 18.07990       1.183502  18.93234       1.189968  -0.000000      0.000000  
1 1 1 -14 0  48 o 7.174527 2.376521  0.7597558      0.3840143 0.6481903      0.5575042 0.8604773      0.5297171 -0.000000      0.000000  
1 1 1 -14 0  49 o 34.48405 0.9938894 11.96646       0.6829374 12.01075       0.9731628 11.92348       0.9586399 -0.000000      0.000000  
1 1 1 -14 0  50 o 14.36846 1.762844  2.255940       0.4551136 1.870650       0.6311757 2.673210       0.6568473 -0.000000      0.000000  
1 1 1 -14 0  51 o 15.03685 1.667565  2.406028       0.4594665 2.923984       0.6851072 1.982640       0.6194150 -0.000000      0.000000  
1 1 1 -14 0  52 o 8.987019 2.491521  1.121064       0.4295273 1.201309       0.5933046 1.032686       0.6226436 -0.000000      0.000000  
1 1 1 -14 0  53 o 44.81395 1.060777  20.17244       0.9473101 20.60641       1.379006  19.78465       1.303572  -0.000000      0.000000  
1 1 1 -14 0  54 o 6.302819 2.054680  -0.2731195E-01 0.4355046 -1.136637      0.5902965 1.297740       0.6451449 -0.000000      0.000000  
1 1 1 -14 0  55 o 4.011276 1.914349  -0.2821609     0.4365467 -0.5984201     0.6244290 0.2019145E-01  0.6105456 -0.000000      0.000000  
1 1 1 -14 0  56 o 72.38142 1.312490  52.70314       1.897065  51.79152       2.665745  53.63854       2.700299  -0.000000      0.000000  
1 1 1 -14 0  57 o 26.58576 1.518674  7.057928       0.7320006 6.786267       0.8699437 7.716651       1.354656  -0.000000      0.000000  
1 1 1 -14 0  58 o 6.292141 3.675957  0.5022793      0.7560590 0.5022793      0.7560590 0.5022793      0.7560590 -0.000000      0.000000  
1 1 1 -14 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 1  1  o 283.4879 2.951961  804.1255       16.73120  792.9805       23.30054  815.9888       24.03974  -4.049347      5.903923  
1 1 1 -14 1  2  o 208.2556 2.178382  433.9202       9.073041  435.2580       12.87691  432.6010       12.78601  0.6371613      4.356763  
1 1 1 -14 1  3  o 73.90397 0.8524113 54.60862       1.259728  55.35356       1.801405  53.89568       1.762289  0.9862061      1.704823  
1 1 1 -14 1  4  o 352.0147 3.663215  1234.077       25.66728  1307.835       38.61473  1175.693       34.35547  18.71170       7.326431  
1 1 1 -14 1  5  o 175.2322 1.841736  307.1102       6.453551  310.3212       9.228376  304.0369       9.028309  1.791779       3.683473  
1 1 1 -14 1  6  f 103.2629 1.124064  105.2578       2.297358  116.0264       3.572031  97.66123       3.000184  8.890068       2.248127  
1 1 1 -14 1  7  o 272.8286 4.019297  745.4656       21.92826  738.3085       30.69290  752.9277       31.33971  -2.669647      8.038594  
1 1 1 -14 1  8  o 324.4124 3.894278  1053.677       25.25820  1069.578       36.29953  1038.751       35.16832  4.734985       7.788557  
1 1 1 -14 1  9  o 95.65817 1.048740  91.46591       2.005539  93.11942       2.887990  89.92576       2.787215  1.668915       2.097481  
1 1 1 -14 1  10 o 109.2464 1.181214  119.3410       2.580415  118.1078       3.609011  120.6308       3.690881  -1.154366      2.362428  
1 1 1 -14 1  11 o 131.3633 1.621147  172.2929       4.252591  178.1325       6.225314  167.1838       5.822970  4.164703       3.242293  
1 1 1 -14 1  12 o 172.3330 1.814681  296.9779       6.252497  292.5563       8.707868  301.6837       8.983294  -2.646103      3.629361  
1 1 1 -14 1  13 o 280.2324 2.917580  786.0684       16.35081  791.0883       23.29215  781.1914       22.95853  1.761536       5.835161  
1 1 1 -14 1  14 o 190.6362 2.000599  363.5836       7.627186  361.3957       10.71077  365.8344       10.86380  -1.162750      4.001197  
1 1 1 -14 1  15 o 189.8324 1.992598  358.7839       7.533592  379.2143       11.28854  342.3778       10.11587  9.690979       3.985196  
1 1 1 -14 1  16 o 146.4747 1.554183  213.8276       4.538950  205.1206       6.136987  224.3421       6.743949  -6.556534      3.108367  
1 1 1 -14 1  17 o 271.4346 3.494919  727.3824       17.48357  765.7870       32.00180  711.0423       20.87418  9.875946       6.989838  
1 1 1 -14 1  18 o 165.8701 2.474627  274.8961       8.196577  284.1296       11.99925  266.8185       11.22306  5.207077       4.949255  
1 1 1 -14 1  19 f 298.9094 4.408014  895.6087       26.32744  917.7017       38.22952  875.6788       36.30985  6.975983       8.816029  
1 1 1 -14 1  20 o 65.88853 1.100323  43.17878       1.444232  40.83108       1.940315  46.09528       2.162628  -3.993088      2.200646  
1 1 1 -14 1  21 o 112.6180 1.721921  126.8895       3.877902  125.7512       5.432854  128.0718       5.536991  -1.028969      3.443841  
1 1 1 -14 1  22 o 137.0087 1.776110  189.6333       4.668225  194.4120       5.868169  181.3964       7.704207  4.775757       3.552220  
1 1 1 -14 1  23 o 113.5164 1.229982  128.7533       2.789892  132.2466       4.051595  125.6035       3.847332  2.924049       2.459963  
1 1 1 -14 1  24 o 143.9654 1.532073  206.9040       4.403134  214.6361       6.467525  200.2240       6.011408  5.000000       3.064147  
1 1 1 -14 1  25 o 135.1897 1.783935  180.1280       4.446516  175.9230       5.309093  190.0077       8.137929  -5.168671      3.567871  
1 1 1 -14 1  26 o 118.4859 1.811632  140.2311       4.286303  145.1449       6.276987  135.9380       5.867234  3.878685       3.623265  
1 1 1 -14 1  27 o 117.3876 1.800520  137.8570       4.225756  135.8202       5.885158  140.0246       6.071438  -1.787743      3.601040  
1 1 1 -14 1  28 f 97.22273 1.528321  94.55531       2.971025  93.37994       4.146956  95.79480       4.258595  -1.240257      3.056643  
1 1 1 -14 1  29 o 317.8566 4.701554  1016.880       29.88581  1009.628       41.93587  1024.365       42.60183  -2.285217      9.403108  
1 1 1 -14 1  30 o 134.2182 1.764710  180.3298       4.464594  180.3014       7.737325  180.3439       5.466428  -0.5996704E-01 3.529421  
1 1 1 -14 1  31 o 167.4258 2.184900  278.0078       6.792027  288.1804       12.22178  273.4623       8.169759  4.290009       4.369800  
1 1 1 -14 1  32 o 110.7588 1.212523  122.7203       2.685544  121.3608       3.758504  124.1384       3.838630  -1.252571      2.425045  
1 1 1 -14 1  33 o 254.0320 2.659117  646.8034       13.50012  661.0415       19.54420  633.8106       18.66991  5.323151       5.318233  
1 1 1 -14 1  34 f 173.6663 1.838431  302.0905       6.385399  302.9109       9.055910  301.2794       9.004941  0.4681244      3.676863  
1 1 1 -14 1  35 o 99.31810 1.105170  98.68932       2.194889  97.57435       3.069785  99.85548       3.139472  -1.146797      2.210340  
1 1 1 -14 1  36 o 14.36729 0.9446763 2.079974       0.2607700 1.379448       0.3561846 2.889202       0.3828236 -5.253570      1.889353  
1 1 1 -14 1  37 o 125.2842 1.358243  157.1855       3.403285  157.6167       4.827653  156.7595       4.798422  0.3409958      2.716486  
1 1 1 -14 1  38 o 89.79871 1.020241  80.17986       1.823207  85.91098       2.749333  75.68119       2.435843  5.685600       2.040482  
1 1 1 -14 1  39 o 63.09798 0.7905247 39.83345       0.9975356 40.19485       1.421382  39.48269       1.400311  0.5637474      1.581049  
1 1 1 -14 1  40 o 123.3145 1.341995  152.0961       3.304627  157.3932       4.837931  147.4628       4.524679  4.008934       2.683989  
1 1 1 -14 1  41 o 162.1466 1.730282  263.6602       5.606453  257.8218       7.740460  270.1032       8.131425  -3.756378      3.460565  
1 1 1 -14 1  42 o 87.22689 1.003693  75.98964       1.747623  79.34130       2.569926  73.10635       2.383601  3.564789       2.007385  
1 1 1 -14 1  43 o 99.01445 3.153630  0.000000       0.000000  ?              ?         98.77690       6.245098  ?              ?         
1 1 1 -14 1  44 o 68.54234 0.8472728 47.00547       1.160998  48.02523       1.671584  46.05506       1.613743  1.434395       1.694546  
1 1 1 -14 1  45 o 9.971794 1.370243  1.038265       0.2663979 0.5287816      0.3668937 1.606385       0.3874318 -5.377052      2.740487  
1 1 1 -14 1  46 o 63.72298 0.8128375 40.65567       1.035858  40.95774       1.475419  40.36205       1.454649  0.4662209      1.625675  
1 1 1 -14 1  47 o 56.13814 0.7654317 31.54241       0.8591723 30.95629       1.198349  32.16238       1.232476  -1.072136      1.530863  
1 1 1 -14 1  48 o 8.898621 1.557543  0.8280170      0.2760474 0.8640314      0.3925119 0.7927710      0.3883021 0.3768969      3.115086  
1 1 1 -14 1  49 o 37.13127 0.6996900 13.79386       0.5193619 14.35184       0.7469073 13.27151       0.7226694 1.453049       1.399380  
1 1 1 -14 1  50 o 43.51342 0.7266354 18.84307       0.6303436 17.21719       0.8533580 20.79546       0.9351231 -4.105389      1.453271  
1 1 1 -14 1  51 o 41.43201 0.7178999 17.16095       0.5942783 18.16722       0.8620694 16.24971       0.8203543 2.310574       1.435800  
1 1 1 -14 1  52 o 68.23998 0.8733170 46.66304       1.191425  47.79747       1.714912  45.60462       1.656466  1.600235       1.746634  
1 1 1 -14 1  53 o 38.22087 0.7351597 14.64301       0.5617998 14.34183       0.7983476 14.93845       0.7907170 -0.7812538     1.470319  
1 1 1 -14 1  54 o 63.52172 0.8491991 39.99677       1.071277  36.64340       1.416112  44.48352       1.638032  -6.144127      1.698398  
1 1 1 -14 1  55 f 33.63624 0.7613551 11.34329       0.5121039 11.46301       0.7204769 11.22105       0.7280309 0.3605423      1.522710  
1 1 1 -14 1  56 f 13.44550 1.382822  1.878797       0.3514607 1.357393       0.4929757 2.417759       0.5012074 -4.109447      2.765643  
1 1 1 -14 1  57 f 21.84436 1.017351  4.797261       0.4414137 4.789070       0.6639338 4.803751       0.5909308 -0.4668808E-01 2.034702  
1 1 1 -14 1  58 o 41.12164 2.021638  17.09278       1.662662  17.09278       1.662662  ?              ?         ?              ?         
1 1 1 -14 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 2  1  o 333.1092 4.900107  1111.797       32.62176  1089.945       45.12050  1135.730       47.21931  -6.829987      9.800215  
1 1 1 -14 2  2  o 280.3725 4.127432  787.5924       23.14425  788.8431       32.79140  786.3509       32.67077  0.4424744      8.254865  
1 1 1 -14 2  3  o 202.1079 2.990200  408.4690       12.07640  418.2090       17.51962  399.6516       16.66931  4.581070       5.980401  
1 1 1 -14 2  4  o 98.89111 1.085018  97.78311       2.145491  98.87023       3.073138  96.74944       2.996671  1.071976       2.170036  
1 1 1 -14 2  5  o 340.6756 3.540158  1159.894       24.08035  1199.286       35.29909  1125.605       32.93337  10.78229       7.080315  
1 1 1 -14 2  6  o 193.6459 2.029499  375.1466       7.859985  376.1432       11.14871  374.1617       11.08298  0.5111084      4.058998  
1 1 1 -14 2  7  o 204.3430 2.138192  416.6242       8.718104  433.7169       12.86577  402.1124       11.85472  7.725006       4.276385  
1 1 1 -14 2  8  o 110.1387 1.194174  121.2636       2.629465  119.2838       3.657381  123.3818       3.783054  -1.859779      2.388349  
1 1 1 -14 2  9  o 219.1531 2.290939  480.4305       10.03905  474.8606       14.01973  486.2917       14.38192  -2.604752      4.581877  
1 1 1 -14 2  10 o 349.1838 3.626937  1220.630       25.32057  1203.834       35.25867  1238.517       36.38528  -4.949890      7.253874  
1 1 1 -14 2  11 o 227.7159 2.380037  518.2029       10.82705  532.5687       15.76892  505.3900       14.89219  5.959045       4.760074  
1 1 1 -14 2  12 o 425.4199 4.421195  1813.670       37.60905  1792.767       52.53236  1835.648       53.86720  -5.014343      8.842390  
1 1 1 -14 2  13 o 329.4598 4.188185  1091.920       26.18357  1074.960       44.58125  1100.851       32.35125  -4.157593      8.376370  
1 1 1 -14 2  14 o 319.6000 4.705853  1023.193       30.04670  1050.565       43.73407  998.7236       41.35091  8.057068       9.411706  
1 1 1 -14 2  15 o 137.6646 2.072664  189.4740       5.702657  185.6980       7.889977  193.6042       8.251729  -2.867813      4.145329  
1 1 1 -14 2  16 o 219.3427 3.242734  481.8327       14.22460  479.0469       19.99006  484.6902       20.24562  -1.282074      6.485469  
1 1 1 -14 2  17 o 411.0090 6.059916  1695.715       49.73050  1644.663       68.01901  1754.345       72.89276  -13.17865      12.11983  
1 1 1 -14 2  18 o 172.0958 2.208426  298.9637       7.279301  305.5726       9.124249  287.3922       12.07329  5.320404       4.416852  
1 1 1 -14 2  19 o 234.2811 2.447637  549.1447       11.46265  559.3032       16.53486  539.7455       15.90476  4.163986       4.895274  
1 1 1 -14 2  20 o 163.4373 1.727027  267.2737       5.645124  266.5324       7.957222  268.0248       8.009861  -0.4559174     3.454053  
1 1 1 -14 2  21 o 211.1060 2.210937  446.0817       9.333862  442.6572       13.08739  449.6266       13.31572  -1.646805      4.421874  
1 1 1 -14 2  22 o 208.8830 2.190453  436.7704       9.150481  434.1253       12.86104  439.4820       13.02192  -1.279388      4.380906  
1 1 1 -14 2  23 o 255.4104 2.667807  652.7814       13.61709  667.8454       19.72933  639.0768       18.81794  5.612640       5.335615  
1 1 1 -14 2  24 o 48.10352 0.6448703 23.12794       0.6201777 23.62735       0.8921405 22.66091       0.8627264 1.004406       1.289741  
1 1 1 -14 2  25 o 96.16463 1.064724  92.44087       2.046802  90.65659       2.841929  94.36389       2.950343  -1.926628      2.129449  
1 1 1 -14 2  26 f 139.4397 1.489468  194.1526       4.146919  188.1871       5.671879  201.0041       6.078470  -4.590515      2.978936  
1 1 1 -14 2  27 o 100.2512 1.106495  100.4074       2.216318  97.85168       3.052966  103.2550       3.222603  -2.693161      2.212990  
1 1 1 -14 2  28 o 75.09547 0.8740340 55.78947       1.302525  51.76298       1.717046  61.24715       1.999044  -6.312302      1.748068  
1 1 1 -14 2  29 o 220.2979 2.497247  485.3864       10.85941  481.0971       14.22392  491.3801       16.81403  -2.265121      4.994493  
1 1 1 -14 2  30 f 38.97897 0.8015519 14.46651       0.5746301 13.44896       0.6783711 17.05135       1.081197  -4.617302      1.603104  
1 1 1 -14 2  31 o 96.16867 1.517843  92.53597       2.918830  93.65136       4.177009  91.47160       4.080384  1.131493       3.035686  
1 1 1 -14 2  32 f 110.5108 1.711617  122.2593       3.782785  121.3963       5.312336  123.1471       5.387794  -0.7903290     3.423235  
1 1 1 -14 2  33 o 143.4587 2.173321  206.1476       6.233251  209.4676       8.964890  203.0406       8.672668  2.229904       4.346641  
1 1 1 -14 2  34 o 52.68596 1.019448  27.75685       1.073816  28.32958       1.544414  27.22087       1.494049  1.051285       2.038895  
1 1 1 -14 2  35 f 67.47672 1.009127  45.42114       1.278419  45.95816       2.239651  45.16160       1.556995  0.5758057      2.018254  
1 1 1 -14 2  36 o 50.48135 0.7492318 25.58762       0.7511863 24.61717       1.118564  26.38482       1.013819  -1.752659      1.498464  
1 1 1 -14 2  37 o 73.29199 0.8722187 53.10574       1.267820  58.64268       1.952664  49.07048       1.666973  6.523109       1.744437  
1 1 1 -14 2  38 o 79.21880 0.9238611 62.80492       1.463721  62.64314       2.063324  62.96882       2.076770  -0.2051544     1.847722  
1 1 1 -14 2  39 f 23.64284 0.6974564 5.554173       0.3258719 4.450466       0.4422855 6.864842       0.4819730 -5.104969      1.394913  
1 1 1 -14 2  40 o 41.89552 0.6645236 17.54637       0.5565678 16.98551       0.7738287 18.14745       0.8010907 -1.385941      1.329047  
1 1 1 -14 2  41 o 43.50204 0.6741493 18.92998       0.5864343 19.21821       0.8390340 18.65469       0.8199808 0.6471138      1.348299  
1 1 1 -14 2  42 o 21.74549 0.7428627 4.731456       0.3228603 4.973599       0.4603505 4.497060       0.4529270 1.095446       1.485725  
1 1 1 -14 2  43 o 111.4745 1.600105  124.2210       3.477782  127.1058       5.608379  122.4186       4.433012  2.001579       3.200211  
1 1 1 -14 2  44 o 27.96398 0.6940891 7.746708       0.3858597 9.031572       0.5769172 6.706725       0.5190367 4.154545       1.388178  
1 1 1 -14 2  45 o 55.64080 0.7550523 30.97584       0.8399366 31.61705       1.207659  30.37505       1.168984  1.114098       1.510105  
1 1 1 -14 2  46 o 32.16256 0.6854888 10.15753       0.4366535 12.22615       0.6708952 8.637242       0.5751460 5.574713       1.370978  
1 1 1 -14 2  47 o 43.96398 0.7061396 19.31589       0.6203226 18.51383       0.8554784 20.20521       0.9008137 -1.921021      1.412279  
1 1 1 -14 2  48 o 38.79166 0.6979705 15.05244       0.5411853 14.35485       0.7537370 15.79476       0.7775203 -1.854496      1.395941  
1 1 1 -14 2  49 o 52.49949 0.7531299 27.59426       0.7906006 26.93979       1.104569  28.28177       1.132095  -1.276001      1.506260  
1 1 1 -14 2  50 o 16.57882 0.9964849 2.758980       0.3301302 2.830163       0.4615085 2.684387       0.4724324 0.4408054      1.992970  
1 1 1 -14 2  51 o 83.41959 0.9930527 69.59456       1.653007  72.96284       2.439947  66.73711       2.247326  3.709221       1.986105  
1 1 1 -14 2  52 o 44.43664 0.7437598 19.69768       0.6595200 18.36015       0.8979100 21.26466       0.9718798 -3.261101      1.487520  
1 1 1 -14 2  53 o 27.04216 0.8040428 7.318283       0.4322621 6.273232       0.5968985 8.470736       0.6268203 -4.059855      1.608086  
1 1 1 -14 2  54 f 51.67728 0.7845613 26.76534       0.8107661 26.31668       1.135221  27.23245       1.158321  -0.8834305     1.569123  
1 1 1 -14 2  55 f 15.81478 1.119638  2.523940       0.3527201 2.306271       0.5048480 2.731517       0.4930059 -1.346449      2.239276  
1 1 1 -14 2  56 o 35.36734 0.7802159 12.54492       0.5517667 12.90066       0.7838560 12.19554       0.7768233 0.9959183      1.560432  
1 1 1 -14 2  57 o 26.69132 0.9447267 7.232358       0.4986575 6.175258       0.7197424 8.208182       0.6915203 -3.812872      1.889453  
1 1 1 -14 2  58 o 21.52221 2.479022  4.708046       1.067080  4.708046       1.067080  ?              ?         ?              ?         
1 1 1 -14 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 3  1  o 106.2885 1.152183  112.8803       2.447457  115.7339       3.544818  110.2809       3.383282  2.564384       2.304365  
1 1 1 -14 3  2  o 230.5453 2.406504  531.3748       11.08722  520.1155       15.31607  543.7706       16.07051  -5.122589      4.813009  
1 1 1 -14 3  3  o 246.5042 2.571780  607.9309       12.67588  600.6551       17.68989  615.6094       18.17266  -3.028183      5.143560  
1 1 1 -14 3  4  o 153.6627 1.623828  235.9490       4.986145  230.6547       6.882396  241.7976       7.233658  -3.623474      3.247656  
1 1 1 -14 3  5  o 321.1860 3.339081  1032.149       21.43563  1052.908       30.98235  1013.087       29.68817  6.181824       6.678163  
1 1 1 -14 3  6  o 92.65387 1.019862  85.55128       1.884717  89.83866       2.792933  81.96646       2.553866  4.247200       2.039725  
1 1 1 -14 3  7  o 110.7562 1.196585  122.6853       2.650513  123.1935       3.764931  122.1860       3.732069  0.4546661      2.393170  
1 1 1 -14 3  8  o 213.2199 2.229881  454.2662       9.497942  442.8759       13.05938  467.0565       13.83871  -5.663345      4.459761  
1 1 1 -14 3  9  f 109.0163 1.181120  118.3011       2.565695  112.7199       3.453893  125.1727       3.832440  -5.709602      2.362240  
1 1 1 -14 3  10 o 480.0893 6.008877  2350.908       56.41161  2118.127       86.96600  2520.001       74.12086  -42.17624      12.01775  
1 1 1 -14 3  11 o 45.98096 0.8595936 19.63140       0.7567980 16.19751       0.9214330 26.74964       1.326651  -11.47293      1.719187  
1 1 1 -14 3  12 o 246.9206 3.643123  610.7277       17.99101  609.0930       25.36705  612.3823       25.51991  -0.6635284     7.286246  
1 1 1 -14 3  13 o 77.04193 1.475261  60.24381       2.239659  50.64092       3.263160  68.79629       3.079522  -11.78405      2.950522  
1 1 1 -14 3  14 o 101.1770 1.346337  102.7424       2.585315  103.5101       3.193972  101.2835       4.402723  1.108307       2.692673  
1 1 1 -14 3  15 o 220.6787 2.309492  487.2991       10.19175  491.5988       14.55618  483.1642       14.27456  1.907684       4.618984  
1 1 1 -14 3  16 o 324.7098 3.379791  1056.198       21.94855  1052.120       30.91691  1060.341       31.16442  -1.261444      6.759581  
1 1 1 -14 3  17 o 133.2641 1.422578  177.2790       3.785030  171.6861       5.173602  183.7203       5.552102  -4.512054      2.845155  
1 1 1 -14 3  18 o 312.1142 3.247934  975.3406       20.26307  993.8436       29.24919  958.2654       28.09809  5.676147       6.495867  
1 1 1 -14 3  19 o 170.7466 1.799738  291.6908       6.145343  294.0552       8.766748  289.4064       8.616846  1.359482       3.599476  
1 1 1 -14 3  20 o 47.12831 0.6337813 21.30891       0.5831794 26.58549       0.9609495 18.23249       0.7337484 8.860901       1.267563  
1 1 1 -14 3  21 o 82.29491 0.9293961 67.58794       1.527168  65.27912       2.088376  70.24174       2.238962  -3.014030      1.858792  
1 1 1 -14 3  22 o 171.5639 1.809196  293.8796       6.195860  284.2773       8.453094  305.0276       9.108054  -6.037872      3.618393  
1 1 1 -14 3  23 o 131.0015 1.402166  171.6838       3.673641  172.3584       5.215778  171.0197       5.175086  0.5104828      2.804333  
1 1 1 -14 3  24 o 207.2674 2.175700  429.4077       9.008042  442.5542       13.13496  417.7340       12.37736  5.974365       4.351400  
1 1 1 -14 3  25 o 132.9955 1.423339  176.7815       3.782743  181.2022       5.487010  172.7774       5.222035  3.164093       2.846678  
1 1 1 -14 3  26 o 56.34654 0.7252786 31.73597       0.8169962 32.33430       1.176188  31.17814       1.135690  1.025673       1.450557  
1 1 1 -14 3  27 o 93.94392 1.045680  87.64668       1.953713  94.07355       2.957635  82.67136       2.602286  6.065102       2.091360  
1 1 1 -14 3  28 f 147.0359 1.565794  216.0121       4.598536  222.6053       6.712163  210.1802       6.312817  4.218872       3.131589  
1 1 1 -14 3  29 o 141.8874 1.514966  200.4929       4.281883  211.8640       6.408504  191.3225       5.755057  7.227890       3.029932  
1 1 1 -14 3  30 o 93.34088 1.045020  87.15051       1.950774  87.73979       2.774855  86.57466       2.743041  0.6237411      2.090039  
1 1 1 -14 3  31 o 195.6360 2.058960  383.1073       8.052380  376.7898       11.18512  389.9043       11.60188  -3.340820      4.117921  
1 1 1 -14 3  32 o 174.5196 1.845811  305.0054       6.442596  305.2434       9.119834  304.7682       9.102603  0.1356812      3.691622  
1 1 1 -14 3  33 o 85.68881 0.9768343 73.29535       1.671237  76.13263       2.451237  70.83086       2.284532  3.090981       1.953669  
1 1 1 -14 3  34 o 101.1071 1.365723  103.4920       2.651964  106.7186       3.344137  98.02435       4.353212  4.324615       2.731445  
1 1 1 -14 3  35 f 144.8825 1.902920  209.9886       5.183239  209.2324       6.324788  211.5352       9.044808  -0.6826019     3.805840  
1 1 1 -14 3  36 o 77.87709 1.293604  60.55502       2.011124  63.34705       2.955622  58.14775       2.744424  3.331383       2.587209  
1 1 1 -14 3  37 o 44.88307 0.9566409 20.14959       0.8585098 19.60036       1.198644  20.72813       1.230203  -1.255447      1.913282  
1 1 1 -14 3  38 o 105.8617 1.660297  111.8162       3.501936  106.5119       4.711928  118.3613       5.234098  -5.567734      3.320594  
1 1 1 -14 3  39 o 71.74242 1.225518  51.54573       1.758363  51.96586       2.500310  51.13463       2.473311  0.5781097      2.451036  
1 1 1 -14 3  40 f 39.23934 0.8131060 14.34867       0.5766084 17.91220       1.130711  13.09628       0.6703168 6.120277       1.626212  
1 1 1 -14 3  41 o 26.53440 0.7248623 6.940664       0.3804772 7.743429       0.5935568 6.380737       0.4957161 2.564495       1.449725  
1 1 1 -14 3  42 o 40.69473 0.7443380 16.69596       0.6013077 18.41339       0.8333641 14.83076       0.8684775 4.403160       1.488676  
1 1 1 -14 3  43 o 88.33138 1.323204  76.85702       2.245408  83.10364       3.803350  73.51494       2.781973  5.354553       2.646408  
1 1 1 -14 3  44 o 25.65147 0.7153364 6.580602       0.3667567 6.919795       0.5260209 6.259722       0.5116233 1.286007       1.430673  
1 1 1 -14 3  45 o 96.25788 1.091967  92.40205       2.094062  98.03755       3.132461  87.84868       2.815703  5.268448       2.183934  
1 1 1 -14 3  46 o 100.4041 1.131948  101.0692       2.273021  101.2844       3.222905  100.8562       3.206235  0.2118607      2.263895  
1 1 1 -14 3  47 o 48.45149 0.7236344 23.32417       0.6981912 25.48204       1.048645  21.60589       0.9357537 3.993320       1.447269  
1 1 1 -14 3  48 f 50.63697 0.7387875 25.61090       0.7471380 24.44661       1.023884  26.93694       1.092695  -2.454433      1.477575  
1 1 1 -14 3  49 o 88.38678 1.030849  78.07388       1.817313  82.15854       2.693126  74.65893       2.462473  4.218040       2.061698  
1 1 1 -14 3  50 o 14.84836 1.090488  2.216525       0.3163797 2.882224       0.4625305 1.631188       0.4337152 4.209392       2.180975  
1 1 1 -14 3  51 o 42.65002 0.7293668 18.18876       0.6215698 17.34792       0.8576643 19.11895       0.9020814 -2.072395      1.458734  
1 1 1 -14 3  52 o 34.45528 0.7474959 11.75051       0.5108564 9.869619       0.6847656 14.11123       0.7671543 -6.147264      1.494992  
1 1 1 -14 3  53 o 26.22061 0.7926672 6.863685       0.4148196 7.372919       0.6105404 6.427046       0.5653494 1.798798       1.585334  
1 1 1 -14 3  54 o 15.11988 1.175511  2.320769       0.3494371 2.831144       0.4970146 1.821879       0.4913909 3.336597       2.351023  
1 1 1 -14 3  55 o 47.50778 0.7730375 22.60950       0.7341197 23.20301       1.059436  22.06130       1.018196  1.196705       1.546075  
1 1 1 -14 3  56 o 60.71156 0.8510370 36.85896       1.031195  39.02736       1.519672  35.00847       1.403862  3.292633       1.702074  
1 1 1 -14 3  57 o 8.213512 1.905073  0.5468410      0.3914231 1.091050       0.5886406 0.1154616      0.5240791 3.942814       3.810145  
1 1 1 -14 3  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 4  1  o 205.2746 2.149088  421.6226       8.822900  423.0592       12.52340  420.2069       12.43203  0.6938324      4.298177  
1 1 1 -14 4  2  o 92.62280 1.020012  85.38079       1.882108  81.35671       2.530394  90.36395       2.815834  -4.861015      2.040024  
1 1 1 -14 4  3  o 253.6454 2.643157  643.9183       13.40847  643.1949       18.94247  644.6448       18.98248  -0.2853394     5.286314  
1 1 1 -14 4  4  o 244.1135 2.545879  596.3630       12.42924  593.6201       17.49128  599.1606       17.66523  -1.132904      5.091758  
1 1 1 -14 4  5  o 306.3966 3.186923  939.9412       19.52916  938.6207       27.56793  941.2714       27.66914  -0.4311523     6.373847  
1 1 1 -14 4  6  o 115.0730 1.505856  133.1598       3.302245  130.1093       5.562356  134.8201       4.103681  -2.056183      3.011712  
1 1 1 -14 4  7  o 246.6586 3.638869  609.3353       17.95011  605.1536       25.22013  613.6282       25.55374  -1.712662      7.277738  
1 1 1 -14 4  8  f 467.8339 6.890615  2200.194       64.44036  2164.187       89.44600  2239.051       92.91801  -7.897125      13.78123  
1 1 1 -14 4  9  o 219.5574 3.244927  482.6892       14.24893  482.9403       20.17421  482.4392       20.12792  0.1134644      6.489855  
1 1 1 -14 4  10 o 184.1585 2.360060  340.7384       8.262121  343.7943       10.22952  335.0046       14.01242  2.426346       4.720121  
1 1 1 -14 4  11 f 219.7486 2.822161  480.7035       11.59379  475.8891       14.04993  490.9777       20.52494  -3.348999      5.644322  
1 1 1 -14 4  12 o 175.3688 1.844651  307.0838       6.459162  317.6481       9.466540  297.8812       8.835358  5.630188       3.689301  
1 1 1 -14 4  13 o 132.8949 1.420815  176.6368       3.775921  178.1358       5.390424  175.1925       5.290884  1.106674       2.841631  
1 1 1 -14 4  14 o 316.4686 4.665488  1004.651       29.52734  1012.251       42.07332  997.2750       41.44960  2.350922       9.330976  
1 1 1 -14 4  15 f 150.8071 1.597228  227.3822       4.815106  223.4424       6.685163  231.6296       6.941232  -2.712189      3.194456  
1 1 1 -14 4  16 o 415.1349 4.315287  1726.744       35.79474  1687.849       49.35732  1769.895       51.98788  -9.816010      8.630574  
1 1 1 -14 4  17 o 109.1989 1.192122  118.7938       2.594908  113.7633       3.502558  124.9143       3.863432  -5.103165      2.384244  
1 1 1 -14 4  18 f 126.3233 1.353375  159.3838       3.414925  164.3214       4.982391  155.0092       4.689749  3.683182       2.706750  
1 1 1 -14 4  19 o 189.6989 1.992757  359.6729       7.551959  369.7548       10.99710  350.6751       10.38899  5.020096       3.985514  
1 1 1 -14 4  20 o 322.5328 3.359142  1042.298       21.65809  1060.480       31.21663  1025.424       30.07367  5.404297       6.718285  
1 1 1 -14 4  21 o 316.4356 3.294939  1003.133       20.84053  985.4667       28.88972  1022.302       30.09301  -5.788330      6.589878  
1 1 1 -14 4  22 o 177.6885 1.872124  315.8107       6.650136  310.6707       9.240870  321.3321       9.577592  -2.995056      3.744248  
1 1 1 -14 4  23 o 287.5993 2.997308  828.6194       17.23778  820.5721       24.12381  837.0150       24.64019  -2.846558      5.994615  
1 1 1 -14 4  24 o 170.6189 1.800847  291.2715       6.144157  288.3677       8.596057  294.3046       8.785336  -1.737000      3.601694  
1 1 1 -14 4  25 o 137.5096 1.468899  189.1907       4.039751  189.3313       5.717598  189.0505       5.708554  0.1019897      2.937798  
1 1 1 -14 4  26 o 82.85704 0.9406586 68.24186       1.551426  72.91092       2.335372  64.55366       2.075622  5.040939       1.881317  
1 1 1 -14 4  27 f 185.4885 1.953383  344.0919       7.240776  352.2565       10.49527  336.6760       10.00250  4.190475       3.906766  
1 1 1 -14 4  28 o 183.9635 1.938885  338.4306       7.126977  346.9857       10.35106  330.7191       9.827447  4.410461       3.877771  
1 1 1 -14 4  29 o 173.8181 1.836306  302.3438       6.381833  298.3573       8.898341  306.5663       9.157802  -2.356079      3.672612  
1 1 1 -14 4  30 o 142.7748 1.525514  202.4711       4.328845  217.2501       6.577753  191.1802       5.749353  9.114639       3.051027  
1 1 1 -14 4  31 o 99.42538 1.101278  98.89708       2.189865  98.40755       3.086340  99.39339       3.107645  -0.4954605     2.202556  
1 1 1 -14 4  32 o 58.79565 0.7501160 34.53534       0.8813979 35.64349       1.277398  33.52832       1.217713  1.798058       1.500232  
1 1 1 -14 4  33 o 129.3591 1.395053  167.1810       3.603763  172.8637       5.274099  162.2042       4.935697  4.112206       2.790106  
1 1 1 -14 4  34 o 56.72691 0.7387455 32.00615       0.8350204 34.27519       1.248343  30.16886       1.123321  3.617550       1.477491  
1 1 1 -14 4  35 o 24.68795 0.6577696 6.101033       0.3243597 5.730975       0.4579321 6.473629       0.4594997 -1.504059      1.315539  
1 1 1 -14 4  36 f 55.85733 0.7295467 31.16170       0.8141565 32.30045       1.185022  30.14362       1.120470  1.929428       1.459093  
1 1 1 -14 4  37 f 96.68340 1.083495  92.51620       2.077218  86.00543       2.730492  101.4608       3.200413  -7.976952      2.166991  
1 1 1 -14 4  38 o 100.8900 1.122590  101.9108       2.265160  101.8601       3.204802  101.9614       3.202039  -0.5035400E-01 2.245180  
1 1 1 -14 4  39 o 35.06615 0.6539473 12.04732       0.4537354 14.65278       0.6997202 10.15680       0.5960361 6.408100       1.307895  
1 1 1 -14 4  40 o 85.14517 1.211135  72.85291       1.952602  73.32655       2.405885  71.93888       3.342226  0.8647614      2.422270  
1 1 1 -14 4  41 o 134.6003 2.067431  182.0369       5.561249  186.4253       8.057218  178.0441       7.685528  3.076935       4.134863  
1 1 1 -14 4  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 4  43 o 137.1552 2.109605  189.0250       5.777135  195.9530       8.470654  182.9998       7.899429  4.655670       4.219210  
1 1 1 -14 4  44 o 82.64697 1.376371  68.50484       2.274387  67.49306       3.170267  69.57784       3.264752  -1.253220      2.752742  
1 1 1 -14 4  45 f 68.34654 1.103086  46.94213       1.484425  46.14697       2.301478  47.50858       1.942475  -1.023804      2.206173  
1 1 1 -14 4  46 o 115.7301 1.589668  131.1158       3.344217  143.1026       6.319082  126.4525       3.941414  6.918633       3.179335  
1 1 1 -14 4  47 o 31.05151 0.7165076 9.661581       0.4445606 9.233258       0.6311204 10.08341       0.6263144 -1.369219      1.433015  
1 1 1 -14 4  48 o 110.9910 1.238043  123.5189       2.745289  127.1570       3.995440  120.2650       3.778488  3.079765       2.476086  
1 1 1 -14 4  49 o 50.88408 0.7550042 25.93212       0.7682867 26.17076       1.095367  25.70104       1.077887  0.4601746      1.510008  
1 1 1 -14 4  50 o 23.77079 0.8153765 5.645085       0.3844585 6.707868       0.5611506 4.704896       0.5277941 4.210115       1.630753  
1 1 1 -14 4  51 o 23.35688 0.8341100 5.495051       0.3861735 4.628470       0.5435913 6.378026       0.5487083 -3.744757      1.668220  
1 1 1 -14 4  52 o 42.79008 0.7395866 18.33572       0.6326534 17.58530       0.8834693 19.12557       0.9063849 -1.797554      1.479173  
1 1 1 -14 4  53 o 61.62819 0.8359423 38.01019       1.029276  36.46799       1.416744  39.73409       1.497872  -2.640514      1.671885  
1 1 1 -14 4  54 o 33.02990 0.7658276 10.91659       0.5054240 11.40687       0.7344136 10.47545       0.6966366 1.405731       1.531655  
1 1 1 -14 4  55 o 51.34332 0.7923473 26.35439       0.8119023 27.64051       1.196680  25.25743       1.105178  2.309250       1.584695  
1 1 1 -14 4  56 o 66.74744 1.102018  43.84410       1.362450  47.40590       2.485189  42.31359       1.629084  3.650719       2.204036  
1 1 1 -14 4  57 f 51.70532 1.384226  27.18661       1.376849  27.73015       1.735429  26.26333       2.261836  1.546799       2.768453  
1 1 1 -14 4  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 5  1  o 35.07111 0.5430617 12.23373       0.3798202 11.40851       0.5140746 13.22573       0.5636336 -2.590630      1.086123  
1 1 1 -14 5  2  o 171.1860 1.802053  293.1399       6.169043  290.7610       8.647667  295.6051       8.803098  -1.413498      3.604106  
1 1 1 -14 5  3  o 267.9735 3.418843  719.0742       17.27199  719.7165       29.92872  718.7535       21.14927  0.3799438E-01  6.837685  
1 1 1 -14 5  4  f 94.37939 1.451967  88.94806       2.737283  86.23625       3.758794  92.01007       3.994122  -3.057228      2.903934  
1 1 1 -14 5  5  o 177.3959 2.632094  314.8995       9.336275  318.5809       13.37670  311.4029       13.03683  2.018967       5.264188  
1 1 1 -14 5  6  o 66.50208 1.075285  44.22754       1.430076  44.59871       2.037041  43.86683       2.008135  0.5501328      2.150571  
1 1 1 -14 5  7  o 54.71049 0.8614266 30.06519       0.9383045 31.86935       1.293554  28.06181       1.363102  3.480003       1.722853  
1 1 1 -14 5  8  o 165.3606 1.745263  272.3434       5.749879  286.8026       8.592223  260.6167       7.737837  7.910767       3.490526  
1 1 1 -14 5  9  f 477.6226 4.961930  2288.873       47.39859  2288.579       67.03689  2289.167       67.02659  -0.6173706E-01 9.923861  
1 1 1 -14 5  10 o 65.05936 0.7703583 42.30219       1.001862  41.49384       1.390093  43.17590       1.445206  -1.292503      1.540717  
1 1 1 -14 5  11 o 233.6940 2.440286  546.3876       11.40194  554.2574       16.37506  538.9811       15.88562  3.262421       4.880573  
1 1 1 -14 5  12 o 335.6923 3.492468  1128.633       23.44271  1116.382       32.74530  1141.515       33.57631  -3.728424      6.984935  
1 1 1 -14 5  13 o 347.3858 3.611540  1208.700       25.08352  1226.176       36.03562  1192.274       34.93680  4.858215       7.223079  
1 1 1 -14 5  14 o 147.8885 1.567778  218.7796       4.636841  220.1473       6.601535  217.4478       6.514302  0.9119263      3.135556  
1 1 1 -14 5  15 o 355.5328 3.697068  1266.547       26.28171  1282.584       37.68585  1251.363       36.67082  4.368561       7.394136  
1 1 1 -14 5  16 o 398.0417 4.138751  1589.203       32.94786  1587.774       46.54604  1590.637       46.64473  -0.3571472     8.277502  
1 1 1 -14 5  17 o 131.3555 1.403625  172.2303       3.680883  178.6392       5.403154  166.6802       5.028161  4.548615       2.807249  
1 1 1 -14 5  18 o 103.5314 1.130459  106.6639       2.331156  113.0800       3.492369  101.5080       3.130708  5.585632       2.260917  
1 1 1 -14 5  19 o 186.9216 1.965284  349.6639       7.346466  352.0059       10.47017  347.3927       10.31061  1.231537       3.930567  
1 1 1 -14 5  20 o 189.9756 1.995466  360.9930       7.577453  354.4898       10.50544  368.0455       10.94004  -3.560730      3.990932  
1 1 1 -14 5  21 o 83.77415 0.9435200 70.19497       1.580847  70.14888       2.232525  70.24132       2.238797  -0.5511475E-01 1.887040  
1 1 1 -14 5  22 o 121.6396 1.309859  147.0069       3.169054  139.0108       4.223593  157.3077       4.793806  -7.515106      2.619718  
1 1 1 -14 5  23 o 239.2039 2.499795  572.9594       11.95845  569.2959       16.79785  576.7241       17.02810  -1.548019      4.999590  
1 1 1 -14 5  24 o 91.13948 1.017187  82.41617       1.842674  88.92236       2.800084  77.44625       2.447273  6.292778       2.034375  
1 1 1 -14 5  25 o 139.2470 1.486689  193.2326       4.126708  203.1635       6.142462  185.0626       5.571342  6.491837       2.973378  
1 1 1 -14 5  26 o 46.41497 0.6550628 21.49154       0.6073256 20.30315       0.8350936 22.82573       0.8848397 -2.717110      1.310126  
1 1 1 -14 5  27 o 188.4634 1.984503  354.6315       7.463098  369.1495       11.00814  342.2825       10.15253  7.110580       3.969006  
1 1 1 -14 5  28 o 173.6696 1.834765  301.7892       6.370453  306.5601       9.161056  297.3220       8.864618  2.653748       3.669529  
1 1 1 -14 5  29 f 208.0574 2.184936  433.2268       9.086230  442.3607       13.12980  424.8323       12.58711  4.198730       4.369872  
1 1 1 -14 5  30 o 95.74983 1.066571  91.70038       2.042114  92.57528       2.920927  90.86386       2.856133  0.8928146      2.133142  
1 1 1 -14 5  31 o 176.8278 1.868554  312.4406       6.596122  302.4203       9.007048  324.0301       9.686633  -6.091888      3.737108  
1 1 1 -14 5  32 o 51.31448 0.7015961 26.15192       0.7169746 28.35053       1.076461  24.39889       0.9612094 3.849117       1.403192  
1 1 1 -14 5  33 f 57.86341 0.7462734 33.12861       0.8582993 30.31018       1.139072  36.83090       1.305518  -5.632359      1.492547  
1 1 1 -14 5  34 f 179.2830 1.896164  321.9791       6.796528  317.0280       9.459558  327.2621       9.771516  -2.841476      3.792328  
1 1 1 -14 5  35 o 177.2169 1.876679  314.5681       6.647332  308.4612       9.205478  321.2220       9.608994  -3.582169      3.753358  
1 1 1 -14 5  36 o 60.29647 0.7645353 36.29924       0.9206800 37.73157       1.346216  35.04064       1.261942  2.229588       1.529071  
1 1 1 -14 5  37 o 33.74470 0.6325306 11.38998       0.4267331 10.96914       0.5997989 11.82134       0.6072536 -1.262566      1.265061  
1 1 1 -14 5  38 o 55.45369 0.7351568 30.24437       0.8072468 27.18205       1.054717  34.57516       1.254282  -6.660889      1.470314  
1 1 1 -14 5  39 o 28.07806 0.6688781 7.886830       0.3747591 7.188703       0.5236837 8.619626       0.5365285 -2.547756      1.337756  
1 1 1 -14 5  40 o 102.2822 1.139768  104.6663       2.329298  107.4929       3.384945  102.1239       3.210241  2.615524       2.279537  
1 1 1 -14 5  41 o 27.43426 0.6853628 7.535618       0.3758309 7.334270       0.5356104 7.730907       0.5274931 -0.7231598     1.370726  
1 1 1 -14 5  42 f 39.24272 0.6698821 15.41047       0.5257473 15.39152       0.7458645 15.42918       0.7411953 -0.4816437E-01 1.339764  
1 1 1 -14 5  43 o 62.03584 1.136400  38.55495       1.409752  39.09900       2.014437  38.03275       1.973573  0.8567505      2.272799  
1 1 1 -14 5  44 f 43.13828 0.6927877 18.59684       0.5972372 19.40280       0.8655795 17.86448       0.8251145 1.781170       1.385575  
1 1 1 -14 5  45 o 97.38177 1.192469  95.38749       2.310634  98.35126       3.142842  91.90089       3.408796  3.334061       2.384939  
1 1 1 -14 5  46 o 29.83532 0.8969148 8.817624       0.5048183 8.624454       0.6153929 9.215048       0.8826936 -0.9712925     1.793830  
1 1 1 -14 5  47 o 100.6154 1.621887  101.7798       3.261432  104.4553       4.721387  99.33784       4.510557  2.513756       3.243775  
1 1 1 -14 5  48 o 9.962628 1.837414  0.9806817      0.4345053 0.9896195E-01  0.6241478 1.809828       0.6052542 -6.476463      3.674828  
1 1 1 -14 5  49 o 75.02190 1.312660  56.56028       1.969279  55.97142       2.756746  57.17388       2.814101  -0.7934952     2.625320  
1 1 1 -14 5  50 o 18.33656 1.400630  3.400424       0.5081804 2.808911       0.7131105 4.010770       0.7243730 -3.275450      2.801259  
1 1 1 -14 5  51 o 24.60683 1.182841  6.057707       0.5789958 7.004299       0.8475827 5.229512       0.7928065 3.598272       2.365683  
1 1 1 -14 5  52 o 18.16846 1.390319  0.000000       0.000000  ?              ?         3.313062       0.5051989 ?              ?         
1 1 1 -14 5  53 o 10.38059 2.068404  1.118897       0.4592386 0.7918448      0.6523875 1.440146       0.6465745 -2.597058      4.136808  
1 1 1 -14 5  54 f 39.37827 1.061270  15.57601       0.8356666 15.72760       1.195432  15.43113       1.168645  0.3722725      2.122540  
1 1 1 -14 5  55 o 34.44735 1.099657  11.92857       0.7568544 11.21275       1.059154  12.67548       1.081916  -2.119019      2.199314  
1 1 1 -14 5  56 o 29.83309 0.8732597 8.955459       0.5197721 9.465626       0.7255110 8.417493       0.7450146 1.759655       1.746519  
1 1 1 -14 5  57 o 42.92912 1.327597  18.89986       1.103227  19.95281       1.417665  17.28309       1.756685  3.189846       2.655195  
1 1 1 -14 5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 6  1  o 109.4490 1.666915  118.1560       3.609942  109.0495       4.708356  131.1443       5.623015  -10.08531      3.333830  
1 1 1 -14 6  2  o 365.2265 5.380527  1339.458       39.29559  1326.214       54.97159  1353.298       56.19324  -3.672821      10.76105  
1 1 1 -14 6  3  o 97.52380 1.493125  93.85648       2.881111  86.95545       3.758210  103.6935       4.486987  -8.575798      2.986250  
1 1 1 -14 6  4  o 205.4455 2.644504  419.2186       10.12272  413.5865       12.22053  431.5314       18.06887  -4.288605      5.289008  
1 1 1 -14 6  5  o 156.4403 1.654107  244.0634       5.161782  234.8854       7.002226  254.9865       7.638993  -6.419144      3.308214  
1 1 1 -14 6  6  o 156.7787 1.658218  245.8645       5.198959  247.8539       7.414810  243.9406       7.291615  1.247009       3.316437  
1 1 1 -14 6  7  o 175.4050 1.851445  307.4043       6.486740  315.6715       9.461630  300.0722       8.910433  4.441406       3.702890  
1 1 1 -14 6  8  f 406.5793 4.226137  1656.210       34.34293  1626.554       47.56100  1688.519       49.64229  -7.574860      8.452273  
1 1 1 -14 6  9  o 89.38033 0.9922896 79.55415       1.767973  75.89859       2.386055  84.00446       2.632682  -4.533195      1.984579  
1 1 1 -14 6  10 f 306.0746 3.186159  938.0513       19.50065  927.8769       27.27333  948.6936       27.89329  -3.390015      6.372319  
1 1 1 -14 6  11 o 142.7071 1.515726  203.7218       4.326028  203.0704       6.097322  204.3820       6.138742  -0.4591827     3.031453  
1 1 1 -14 6  12 o 70.25057 0.8158863 48.57012       1.133427  54.53226       1.771659  44.43916       1.474704  7.182266       1.631773  
1 1 1 -14 6  13 f 252.0016 2.628622  635.7170       13.24724  640.4131       18.88134  631.1642       18.59087  1.830612       5.257245  
1 1 1 -14 6  14 o 180.9496 1.902716  326.7862       6.870784  339.8695       10.12659  315.6255       9.352965  6.690018       3.805432  
1 1 1 -14 6  15 o 26.67940 0.8588263 7.109487       0.4576189 7.660965       0.6592588 6.596679       0.6357244 1.994450       1.717653  
1 1 1 -14 6  16 o 319.5314 3.326330  1022.135       21.23694  1047.313       30.84994  999.4556       29.27875  7.452057       6.652660  
1 1 1 -14 6  17 o 110.4220 1.197989  121.7731       2.642338  118.3364       3.628528  125.6531       3.855448  -3.311012      2.395979  
1 1 1 -14 6  18 o 336.5167 3.504544  1135.549       23.58674  1136.012       33.38164  1135.088       33.33178  0.1358032      7.009089  
1 1 1 -14 6  19 o 72.40956 0.8430360 51.07313       1.198367  59.55298       1.932987  45.77926       1.527289  9.508217       1.686072  
1 1 1 -14 6  20 o 195.0271 2.048131  380.7126       7.988817  380.4276       11.29918  380.9974       11.29661  -0.1461182     4.096262  
1 1 1 -14 6  21 o 227.3676 2.378830  516.8709       10.80428  531.7843       15.75000  503.6151       14.84890  6.177994       4.757659  
1 1 1 -14 6  22 o 294.2289 3.069161  867.5640       18.06058  868.5475       25.59684  866.5892       25.48657  0.3300476      6.138322  
1 1 1 -14 6  23 o 280.6524 2.926596  789.1947       16.42511  796.0410       23.44894  782.5998       23.01438  2.383636       5.853191  
1 1 1 -14 6  24 o 236.8981 2.477409  562.0762       11.73765  560.3354       16.53976  563.8426       16.65998  -0.7375488     4.954818  
1 1 1 -14 6  25 o 163.2134 1.731958  266.0661       5.644443  257.7931       7.722999  275.5524       8.269933  -5.431595      3.463916  
1 1 1 -14 6  26 o 261.2088 2.728063  682.9628       14.23779  700.4403       20.69225  667.2481       19.62100  6.324188       5.456126  
1 1 1 -14 6  27 o 213.8816 2.243328  457.9935       9.593381  464.3865       13.76610  451.9572       13.37646  2.896286       4.486656  
1 1 1 -14 6  28 o 207.8358 2.183127  432.3071       9.068928  424.4517       12.56235  440.8568       13.10570  -3.933243      4.366255  
1 1 1 -14 6  29 o 259.5148 2.713338  675.1740       14.08274  677.2840       19.99172  673.0956       19.84113  0.8019714      5.426675  
1 1 1 -14 6  30 o 123.2314 1.332566  150.8683       3.265223  142.4381       4.345366  161.8019       4.948681  -7.845512      2.665132  
1 1 1 -14 6  31 o 73.48958 0.8702381 53.93626       1.277588  55.80915       1.862081  52.27042       1.756135  2.406197       1.740476  
1 1 1 -14 6  32 o 173.1242 1.832664  299.7739       6.338027  291.9932       8.712413  308.5201       9.237241  -4.756927      3.665329  
1 1 1 -14 6  33 o 52.81300 0.7097921 27.73103       0.7464989 29.67184       1.120651  26.18289       1.000889  3.301414       1.419584  
1 1 1 -14 6  34 o 49.29169 0.6906466 23.86945       0.6735641 27.32940       1.050819  21.45644       0.8775513 5.954613       1.381293  
1 1 1 -14 6  35 o 110.6674 1.214705  122.5235       2.687235  120.1216       3.729910  125.1157       3.874885  -2.251755      2.429410  
1 1 1 -14 6  36 o 56.03097 0.7360873 31.19912       0.8217670 29.02327       1.105140  33.89008       1.229013  -4.340157      1.472175  
1 1 1 -14 6  37 o 68.09502 0.8292842 46.17953       1.125552  48.98372       1.678006  43.88585       1.517596  3.738716       1.658568  
1 1 1 -14 6  38 o 51.11636 0.7074512 26.13098       0.7228653 26.48788       1.042104  25.80000       1.003558  0.6718292      1.414902  
1 1 1 -14 6  39 o 34.28702 0.6488142 11.59751       0.4415167 9.929062       0.5882208 13.75047       0.6681950 -5.570391      1.297628  
1 1 1 -14 6  40 f 47.74202 0.6982116 22.76991       0.6661277 21.76447       0.9204976 23.87534       0.9651840 -2.209244      1.396423  
1 1 1 -14 6  41 o 43.47019 0.9368454 18.73946       0.8105828 16.79213       1.087277  21.17598       1.216202  -5.036179      1.873691  
1 1 1 -14 6  42 o 26.73809 0.7037988 7.104144       0.3746172 8.140878       0.5542490 6.232166       0.5083051 3.567514       1.407598  
1 1 1 -14 6  43 o 44.54958 1.012748  19.63501       0.8959355 17.87403       1.183940  21.99479       1.370529  -4.613644      2.025495  
1 1 1 -14 6  44 o 36.69017 0.6833560 13.30429       0.4980924 11.53593       0.6651111 15.56252       0.7516122 -5.483177      1.366712  
1 1 1 -14 6  45 o 25.77841 0.7277002 6.621129       0.3742965 7.177275       0.5518612 6.147347       0.5093600 1.995457       1.455400  
1 1 1 -14 6  46 o 55.89350 0.7744536 31.01774       0.8610075 33.80721       1.303564  28.85902       1.146751  4.416515       1.548907  
1 1 1 -14 6  47 o 63.02769 0.8180044 39.78549       1.030984  40.14944       1.473285  39.43623       1.443241  0.5635986      1.636009  
1 1 1 -14 6  48 f 19.10266 0.9084812 3.660914       0.3467836 3.518370       0.4935172 3.799941       0.4873924 -0.7375603     1.816962  
1 1 1 -14 6  49 o 56.17230 0.9562652 31.75312       1.022144  31.27187       1.730253  32.01110       1.266824  -0.7047729     1.912530  
1 1 1 -14 6  50 o 18.92730 1.282660  3.598691       0.4838247 3.200215       0.6721107 4.027267       0.6970326 -2.181076      2.565320  
1 1 1 -14 6  51 o 32.39848 1.063704  10.55417       0.6875482 9.677279       0.9702568 11.43863       0.9744365 -2.717699      2.127408  
1 1 1 -14 6  52 o 44.25345 1.085923  19.62804       0.9611171 19.62804       0.9611171 ?              ?         ?              ?         
1 1 1 -14 6  53 o 16.88309 1.362861  2.923842       0.4331051 3.035037       0.5352494 2.712968       0.7370981 0.9925957      2.725722  
1 1 1 -14 6  54 o 24.17722 1.242076  5.885632       0.6003658 5.792211       0.8566241 5.975818       0.8416646 -0.3824978     2.484152  
1 1 1 -14 6  55 o 18.20310 1.485786  3.341838       0.5395312 3.693870       0.7812000 3.020783       0.7460386 1.839890       2.971572  
1 1 1 -14 6  56 o 9.700846 2.245036  0.7529353      0.5336496 0.2123142      0.6914461 1.549348       0.8392296 -4.782343      4.490073  
1 1 1 -14 6  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 7  1  f 24.36733 1.286116  5.938514       0.6267841 5.938514       0.6267841 ?              ?         ?              ?         
1 1 1 -14 7  2  f 152.3390 1.614917  231.5650       4.909623  240.9999       7.234800  223.5113       6.684336  5.734741       3.229834  
1 1 1 -14 7  3  o 66.49127 0.8552494 44.09811       1.121014  44.90516       1.746445  43.53260       1.461933  1.030724       1.710499  
1 1 1 -14 7  4  f 128.3728 1.371454  163.6974       3.500868  154.8430       4.660625  175.1624       5.303369  -7.909187      2.742908  
1 1 1 -14 7  5  o 193.6413 2.031177  375.1377       7.864965  379.2169       11.25192  371.2405       10.99791  2.056656       4.062353  
1 1 1 -14 7  6  o 244.6302 2.552848  597.9183       12.46952  580.3204       17.05955  618.1066       18.27196  -7.705582      5.105697  
1 1 1 -14 7  7  o 40.53162 0.5780514 16.42896       0.4685861 16.44981       0.6635636 16.40821       0.6618015 0.5130768E-01  1.156103  
1 1 1 -14 7  8  o 161.5095 1.706562  259.5589       5.487183  275.1787       8.246910  247.1508       7.350343  8.668091       3.413124  
1 1 1 -14 7  9  o 160.6033 1.695840  257.8817       5.444023  253.1998       7.547463  262.9594       7.860070  -3.035309      3.391679  
1 1 1 -14 7  10 o 267.7472 2.790917  717.8229       14.94511  716.4694       21.09034  719.1883       21.18111  -0.5062256     5.581834  
1 1 1 -14 7  11 o 79.59557 0.9037685 62.90776       1.430830  67.57826       2.164789  59.28456       1.906693  5.208466       1.807537  
1 1 1 -14 7  12 o 133.7573 1.427746  178.9348       3.818735  176.9265       5.339509  181.0375       5.463645  -1.535645      2.855491  
1 1 1 -14 7  13 o 104.0366 1.134089  108.2610       2.359704  108.5290       3.347053  107.9961       3.327287  0.2559662      2.268177  
1 1 1 -14 7  14 o 64.74686 0.7679980 41.92642       0.9945081 41.89709       1.405257  41.95585       1.407640  -0.4535675E-01 1.535996  
1 1 1 -14 7  15 o 91.04994 1.442782  82.24269       2.610427  77.19969       3.462872  88.88047       3.972855  -6.409027      2.885563  
1 1 1 -14 7  16 o 131.7601 1.407602  173.6497       3.708723  171.9152       5.189501  175.4604       5.302165  -1.344116      2.815204  
1 1 1 -14 7  17 f 123.8780 1.332586  153.2225       3.296201  148.6242       4.510131  158.4946       4.829280  -3.980484      2.665172  
1 1 1 -14 7  18 o 204.0501 2.141133  416.6092       8.734591  423.2336       12.56337  410.4114       12.15205  3.134842       4.282267  
1 1 1 -14 7  19 o 141.5748 1.506687  200.4563       4.264787  197.6286       5.941074  203.4625       6.125807  -2.058197      3.013373  
1 1 1 -14 7  20 o 97.56311 1.075577  94.92850       2.094068  91.23570       2.848854  99.26891       3.088567  -4.114914      2.151154  
1 1 1 -14 7  21 o 200.0365 2.100342  400.5541       8.402896  400.3514       11.88807  400.7563       11.87891  -0.1013641     4.200685  
1 1 1 -14 7  22 o 93.41322 1.037999  86.96094       1.933704  91.38034       2.868665  83.28054       2.617853  4.333206       2.075998  
1 1 1 -14 7  23 o 227.0797 2.376946  516.2749       10.79292  522.1807       15.45112  510.6475       15.08255  2.531525       4.753891  
1 1 1 -14 7  24 o 169.8273 1.794112  287.2981       6.069608  303.3348       9.081167  274.3498       8.159983  8.518143       3.588224  
1 1 1 -14 7  25 o 188.0154 1.980280  353.8831       7.446354  355.1719       10.56548  352.6110       10.49633  0.6796570      3.960561  
1 1 1 -14 7  26 o 165.4601 1.750854  273.9570       5.792805  270.8390       8.096849  277.2266       8.291132  -1.926651      3.501707  
1 1 1 -14 7  27 f 226.0331 2.367744  510.9821       10.68875  526.8598       15.61874  496.9953       14.65920  6.580750       4.735487  
1 1 1 -14 7  28 o 144.5921 1.543184  209.2366       4.462619  208.9421       6.299223  209.5333       6.323037  -0.2039948     3.086367  
1 1 1 -14 7  29 o 93.52634 1.047110  86.03624       1.933063  96.43903       3.044739  79.01157       2.502005  9.309227       2.094221  
1 1 1 -14 7  30 o 40.71499 0.6529855 16.55153       0.5310197 17.11205       0.7754940 16.05670       0.7286442 1.295547       1.305971  
1 1 1 -14 7  31 o 100.8579 1.121518  100.6649       2.243247  93.72354       2.950486  110.1744       3.453405  -8.146194      2.243035  
1 1 1 -14 7  32 o 65.54701 0.8032565 42.77363       1.049488  45.41278       1.564050  40.61214       1.415452  3.659718       1.606513  
1 1 1 -14 7  33 o 142.1989 1.523185  202.3647       4.329432  206.2553       6.250204  198.7760       6.002772  2.621567       3.046371  
1 1 1 -14 7  34 o 32.85336 0.6366410 10.64836       0.4154207 12.24620       0.6327809 9.438079       0.5507177 4.272432       1.273282  
1 1 1 -14 7  35 o 96.01898 1.078280  92.26695       2.070349  93.18785       2.960867  91.38595       2.896040  0.9362717      2.156560  
1 1 1 -14 7  36 o 79.10735 0.9229080 62.35373       1.455754  59.27492       1.967703  66.07652       2.163724  -4.292999      1.845816  
1 1 1 -14 7  37 o 51.86388 0.7078047 26.87872       0.7335043 27.65074       1.065560  26.18343       1.011234  1.413216       1.415609  
1 1 1 -14 7  38 o 12.42500 1.065568  1.583757       0.2544773 1.078727       0.3585032 2.096651       0.3612835 -4.096154      2.131136  
1 1 1 -14 7  39 o 49.74245 0.7021815 24.71819       0.6978440 25.63460       1.015513  23.89825       0.9605777 1.743587       1.404363  
1 1 1 -14 7  40 o 95.00412 1.075432  90.39716       2.043299  90.88572       2.907732  89.92056       2.871923  0.5060654      2.150865  
1 1 1 -14 7  41 o 71.57856 0.8701065 51.22534       1.244459  52.81179       1.808026  49.79713       1.715480  2.101547       1.740213  
1 1 1 -14 7  42 o 19.22555 0.8163584 3.700262       0.3138830 3.713876       0.4421717 3.686434       0.4456440 0.7152557E-01  1.632717  
1 1 1 -14 7  43 o 55.24018 0.8178367 30.65983       0.9003572 32.62996       1.250962  28.54243       1.296873  3.702202       1.635673  
1 1 1 -14 7  44 o 38.53140 0.6869974 14.86051       0.5294122 14.75280       0.7477492 14.96878       0.7496581 -0.2801704     1.373995  
1 1 1 -14 7  45 f 28.95309 0.8608689 8.678640       0.4720836 7.439267       0.7747993 9.410419       0.5953575 -3.415487      1.721738  
1 1 1 -14 7  46 f 40.46976 0.9730107 16.38679       0.7868407 15.53983       1.088296  17.31442       1.138954  -2.188313      1.946021  
1 1 1 -14 7  47 o 38.98641 0.9885073 15.09385       0.7663387 16.60408       1.162501  13.93316       1.019130  3.411983       1.977015  
1 1 1 -14 7  48 o 21.37171 1.146152  4.552698       0.4871196 5.298397       0.7200568 3.923445       0.6614507 3.209757       2.292305  
1 1 1 -14 7  49 o 9.881973 1.560467  0.9662680      0.3208964 0.4611304      0.4291043 1.607210       0.4833564 -5.518642      3.120934  
1 1 1 -14 7  50 o 30.60943 0.7568799 9.392103       0.4630881 9.046140       0.6559607 9.735847       0.6538553 -1.126820      1.513760  
1 1 1 -14 7  51 o 10.72520 1.520497  1.195926       0.3146358 1.381039       0.4591778 1.032086       0.4319902 1.613723       3.040994  
1 1 1 -14 7  52 f 60.05833 0.8264607 36.01402       0.9903700 33.98607       1.345272  38.41362       1.463357  -3.672611      1.652921  
1 1 1 -14 7  53 o 39.22346 0.7560640 15.41975       0.5930676 15.53467       0.8447637 15.30806       0.8328127 0.2875595      1.512128  
1 1 1 -14 7  54 o 17.96544 1.049417  3.231048       0.3703026 4.131689       0.5456126 2.461912       0.5042087 4.640445       2.098834  
1 1 1 -14 7  55 o 32.79152 0.7926388 10.76996       0.5194411 11.28105       0.7516578 10.30277       0.7186544 1.487072       1.585278  
1 1 1 -14 7  56 o 27.15660 1.186351  7.563387       0.6040758 7.022304       1.036203  7.841946       0.7434840 -1.569443      2.372702  
1 1 1 -14 7  57 f 79.89866 1.738726  63.99989       2.618709  62.26897       3.188351  67.58821       4.590651  -2.861038      3.477452  
1 1 1 -14 7  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 8  1  o 157.5996 2.366528  248.6186       7.458421  250.8826       10.64527  246.4356       10.45296  1.407623       4.733056  
1 1 1 -14 8  2  o 160.4991 2.413526  257.6284       7.740520  252.0292       10.68173  263.8199       11.23253  -3.664047      4.827051  
1 1 1 -14 8  3  o 86.80038 1.391613  74.80676       2.402152  70.40636       3.197964  80.50428       3.638902  -5.812637      2.783226  
1 1 1 -14 8  4  o 168.2634 2.181120  283.0255       6.901241  284.4075       12.03215  282.3480       8.424790  0.5609131      4.362240  
1 1 1 -14 8  5  o 174.3545 1.835667  302.7700       6.375982  289.2576       8.574019  319.4866       9.536596  -8.657318      3.671335  
1 1 1 -14 8  6  o 167.8630 1.912697  282.0739       6.359401  281.2151       9.682679  282.7253       8.433309  -0.4653320     3.825395  
1 1 1 -14 8  7  o 126.1817 1.352024  159.2561       3.411750  158.0641       4.789122  160.4844       4.861580  -0.9583817     2.704049  
1 1 1 -14 8  8  o 213.2234 2.231898  454.9549       9.515841  460.1718       13.62608  449.9884       13.29489  2.383072       4.463797  
1 1 1 -14 8  9  f 58.45012 0.7131348 33.99236       0.8307211 36.20026       1.239792  32.19342       1.119092  3.426991       1.426270  
1 1 1 -14 8  10 o 131.7043 1.406274  173.0425       3.695756  180.3739       5.452765  166.8127       5.026407  5.144211       2.812548  
1 1 1 -14 8  11 o 250.1361 2.612109  624.7215       13.03454  650.9409       19.26987  602.6060       17.69758  9.632492       5.224218  
1 1 1 -14 8  12 f 129.5750 1.385670  167.1406       3.576502  176.7795       5.354150  159.3743       4.806009  6.710640       2.771339  
1 1 1 -14 8  13 f 32.24012 0.5474097 10.38539       0.3528077 10.01563       0.4906447 10.78126       0.5076822 -1.187311      1.094819  
1 1 1 -14 8  14 o 91.79288 1.019926  84.27903       1.872421  84.29684       2.642350  84.26105       2.653694  0.1958466E-01  2.039852  
1 1 1 -14 8  15 o 215.0684 3.194758  463.5210       13.73935  468.6463       19.65566  458.6240       19.21265  2.318619       6.389516  
1 1 1 -14 8  16 o 134.6938 1.439569  181.3638       3.875662  177.5537       5.368932  185.5094       5.600421  -2.950546      2.879137  
1 1 1 -14 8  17 o 133.2358 1.423989  176.9662       3.783356  185.4843       5.614889  169.8829       5.120208  5.849228       2.847978  
1 1 1 -14 8  18 o 150.9382 1.601388  227.3818       4.824090  219.6874       6.572319  236.3693       7.103149  -5.519455      3.202775  
1 1 1 -14 8  19 o 151.4680 1.609532  229.3734       4.872596  234.4024       7.047204  224.7671       6.744539  3.176773       3.219064  
1 1 1 -14 8  20 f 106.9547 1.167806  114.4226       2.497921  113.7125       3.511420  115.1500       3.554155  -0.6716080     2.335612  
1 1 1 -14 8  21 f 249.3781 2.605046  622.5806       12.98623  612.0014       18.02487  633.9986       18.72578  -4.394272      5.210091  
1 1 1 -14 8  22 o 87.04556 0.9789568 75.77741       1.704053  76.40947       2.433405  75.16920       2.387053  0.7120056      1.957914  
1 1 1 -14 8  23 o 133.9385 1.434172  179.2193       3.836980  184.7256       5.597568  174.3389       5.269866  3.872971       2.868345  
1 1 1 -14 8  24 o 110.0910 1.199467  121.2177       2.640474  119.7230       3.689447  122.7872       3.780609  -1.390594      2.398934  
1 1 1 -14 8  25 o 135.8994 1.454886  184.2763       3.944939  192.1275       5.825109  177.6247       5.361638  5.328629       2.909772  
1 1 1 -14 8  26 o 103.1621 1.136992  106.3842       2.344286  108.6179       3.391058  104.3395       3.244442  2.071777       2.273985  
1 1 1 -14 8  27 o 94.40265 1.055001  89.01469       1.989449  86.54192       2.733115  91.80140       2.901433  -2.783531      2.110002  
1 1 1 -14 8  28 o 218.9613 2.297230  480.2680       10.05779  486.0919       14.40941  474.7347       14.04531  2.582275       4.594461  
1 1 1 -14 8  29 o 254.7226 2.665110  650.7985       13.57692  648.1926       19.11821  653.4500       19.28419  -1.025253      5.330219  
1 1 1 -14 8  30 o 205.0780 2.157050  420.1442       8.823282  438.7083       13.06566  404.5811       11.96312  8.281784       4.314099  
1 1 1 -14 8  31 o 31.66101 0.6351646 10.03633       0.4017901 9.698898       0.5746213 10.35913       0.5620223 -1.042809      1.270329  
1 1 1 -14 8  32 o 64.69648 0.7974604 41.30870       1.022103  45.91129       1.583272  38.01998       1.338345  6.094498       1.594921  
1 1 1 -14 8  33 o 98.38678 1.096777  96.66194       2.154345  100.3624       3.162114  93.45638       2.943074  3.503860       2.193555  
1 1 1 -14 8  34 o 82.59111 0.9514728 68.25465       1.571508  68.73741       2.241184  67.78769       2.204175  0.5739594      1.902946  
1 1 1 -14 8  35 o 35.75337 0.6482659 12.66950       0.4610868 11.07719       0.6213154 14.62144       0.6879082 -4.955139      1.296532  
1 1 1 -14 8  36 o 75.67371 0.8927191 57.30040       1.350884  57.77809       1.931121  56.84266       1.890408  0.6168213      1.785438  
1 1 1 -14 8  37 o 58.24738 0.7554406 33.87902       0.8786840 35.16368       1.286764  32.75658       1.202777  2.063740       1.510881  
1 1 1 -14 8  38 o 76.74394 0.9073457 58.95343       1.392613  58.40449       1.959434  59.51374       1.979627  -0.7218781     1.814691  
1 1 1 -14 8  39 o 93.20643 1.057762  86.94726       1.970699  88.64192       2.844598  85.38325       2.732745  1.742477       2.115524  
1 1 1 -14 8  40 o 76.09747 0.9109108 57.94818       1.385674  58.90179       1.997250  57.06315       1.924076  1.204628       1.821822  
1 1 1 -14 8  41 o 71.09343 0.8697948 50.60255       1.236722  50.41228       1.750429  50.79218       1.747552  -0.2673111     1.739590  
1 1 1 -14 8  42 o 36.76127 0.8193814 12.90252       0.5615900 15.25336       1.030488  11.90936       0.6697934 4.530441       1.638763  
1 1 1 -14 8  43 o 49.68917 1.026042  24.42784       1.011157  27.15201       1.557547  22.44333       1.329386  4.721760       2.052083  
1 1 1 -14 8  44 o 59.45424 1.105774  35.38500       1.313903  34.03240       1.817197  36.86676       1.901980  -2.376953      2.211549  
1 1 1 -14 8  45 o 75.66728 1.120480  56.62004       1.584293  55.22860       1.912851  59.65960       2.827182  -2.845123      2.240961  
1 1 1 -14 8  46 o 54.31946 0.7654960 29.51837       0.8311817 28.51073       1.153354  30.60719       1.198906  -1.926647      1.530992  
1 1 1 -14 8  47 o 35.52062 0.7084472 12.63481       0.5032670 12.69047       0.7157297 12.58038       0.7077909 0.1543884      1.416894  
1 1 1 -14 8  48 o 42.92351 0.7276527 18.28180       0.6216733 20.37667       0.9356551 16.62604       0.8318322 4.360916       1.455305  
1 1 1 -14 8  49 f 113.5221 1.270145  129.5233       2.883130  131.0657       4.130525  128.0578       4.026200  1.309402       2.540291  
1 1 1 -14 8  50 o 43.70669 0.7466642 19.14219       0.6526045 18.77769       0.9221594 19.50788       0.9236867 -0.8351860     1.493328  
1 1 1 -14 8  51 o 32.32999 0.7536873 10.47495       0.4873319 10.50692       0.6903984 10.44320       0.6879906 0.9830475E-01  1.507375  
1 1 1 -14 8  52 o 60.41953 0.8410735 36.56026       1.014888  37.48218       1.482447  35.74703       1.392324  1.425098       1.682147  
1 1 1 -14 8  53 o 31.39652 0.8134654 9.663701       0.5044805 11.36974       0.7929901 8.503799       0.6538577 4.547323       1.626931  
1 1 1 -14 8  54 o 59.19690 0.8461221 35.16418       1.001128  35.09802       1.440817  35.22593       1.392059  -0.1149712     1.692244  
1 1 1 -14 8  55 o 25.81956 0.9439790 6.681376       0.4869172 7.038321       0.7088318 6.362453       0.6700163 1.302370       1.887958  
1 1 1 -14 8  56 o 21.43385 1.343828  4.618692       0.5749261 4.305955       0.7850527 4.980427       0.8443147 -1.558800      2.687656  
1 1 1 -14 8  57 o 41.98532 1.389911  18.07817       1.148785  19.91818       1.549545  15.83263       1.711801  4.909771       2.779822  
1 1 1 -14 8  58 o 24.09410 3.512399  6.026996       1.692562  6.026996       1.692562  ?              ?         ?              ?         
1 1 1 -14 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 9  1  o 114.0607 1.760859  129.7365       4.005933  136.0798       5.935506  124.4299       5.428829  5.099777       3.521719  
1 1 1 -14 9  2  f 172.8227 2.588012  298.8732       8.939331  305.6136       12.93048  292.7024       12.37224  3.723999       5.176024  
1 1 1 -14 9  3  o 121.6250 1.864461  148.0098       4.534626  149.6855       6.481112  146.4028       6.346855  1.347542       3.728922  
1 1 1 -14 9  4  o 104.0402 1.431536  102.3916       2.602437  96.71834       2.981943  120.5219       5.330685  -11.41408      2.863073  
1 1 1 -14 9  5  o 168.2860 2.521444  283.5547       8.485497  281.3581       11.89339  285.8321       12.11015  -1.325134      5.042888  
1 1 1 -14 9  6  o 153.7427 2.316076  236.1003       7.107779  228.4895       9.697045  244.9369       10.44884  -5.335709      4.632152  
1 1 1 -14 9  7  o 180.1210 2.690440  324.9377       9.691958  326.0219       13.75086  323.8673       13.66257  0.5962982      5.380879  
1 1 1 -14 9  8  f 74.54509 1.059601  56.03693       1.495404  54.16030       2.546559  57.02466       1.847493  -1.926842      2.119201  
1 1 1 -14 9  9  o 190.9087 2.005449  364.4732       7.651503  372.4881       11.07807  357.1618       10.58077  4.006241       4.010898  
1 1 1 -14 9  10 o 186.4924 1.960625  347.6996       7.305766  356.6190       10.61485  339.6716       10.07046  4.535278       3.921250  
1 1 1 -14 9  11 f 311.4072 3.245649  972.0344       20.21381  968.6241       28.46218  975.5049       28.71275  -1.098297      6.491298  
1 1 1 -14 9  12 o 282.3491 2.944663  798.7808       16.62823  800.3810       23.58605  797.1994       23.44632  0.5600586      5.889326  
1 1 1 -14 9  13 o 234.1365 2.448247  548.9288       11.46418  551.3577       16.28411  546.5421       16.14242  1.025604       4.896494  
1 1 1 -14 9  14 o 166.2021 1.754845  276.3991       5.832739  278.2187       8.309552  274.6318       8.189241  1.077408       3.509689  
1 1 1 -14 9  15 o 192.1451 2.864132  369.3491       10.99343  359.9150       15.11152  379.9551       16.02256  -5.194458      5.728265  
1 1 1 -14 9  16 f 71.08643 0.8278898 50.54025       1.177032  50.64520       1.666381  50.43576       1.662775  0.1472855      1.655780  
1 1 1 -14 9  17 o 179.7691 1.893330  323.2303       6.803741  329.3635       9.812669  317.5518       9.441922  3.279617       3.786660  
1 1 1 -14 9  18 o 208.7253 2.187929  436.1554       9.133522  436.1962       12.92241  436.1146       12.91110  0.1931763E-01  4.375858  
1 1 1 -14 9  19 o 186.3651 1.961222  347.6441       7.309945  346.6223       10.30292  348.6800       10.37308  -0.5508575     3.922444  
1 1 1 -14 9  20 f 168.1264 1.776891  282.8705       5.974467  280.9902       8.392269  284.8027       8.507248  -1.131973      3.553782  
1 1 1 -14 9  21 o 169.8595 1.796487  288.7675       6.103004  289.2184       8.635180  288.3174       8.626728  0.2650757      3.592974  
1 1 1 -14 9  22 f 154.5943 1.641062  238.0363       5.053754  251.3789       7.562392  227.2691       6.793458  7.785446       3.282125  
1 1 1 -14 9  23 o 104.4167 1.145832  109.0495       2.392513  110.2056       3.419694  107.9410       3.348479  1.083519       2.291663  
1 1 1 -14 9  24 o 216.1122 2.266447  467.5608       9.792177  475.1741       14.08997  460.4485       13.61852  3.395309       4.532895  
1 1 1 -14 9  25 o 79.57508 0.9183555 63.23226       1.459721  65.38000       2.130106  61.33064       2.004344  2.543045       1.836711  
1 1 1 -14 9  26 o 173.8503 1.837198  302.0521       6.378299  311.9334       9.332382  293.3904       8.737527  5.319733       3.674396  
1 1 1 -14 9  27 o 96.26724 1.073579  92.44450       2.062256  88.96957       2.804209  96.53749       3.043394  -3.927177      2.147158  
1 1 1 -14 9  28 o 279.4687 2.921415  783.5692       16.32262  772.0555       22.71090  795.8711       23.47542  -4.226624      5.842830  
1 1 1 -14 9  29 o 132.7408 1.428390  175.7072       3.780445  184.4336       5.617076  168.4814       5.111351  5.996964       2.856779  
1 1 1 -14 9  30 o 106.6760 1.174237  113.8750       2.505190  113.3576       3.527260  114.4017       3.558695  -0.4887085     2.348474  
1 1 1 -14 9  31 o 144.7290 1.549393  208.5239       4.462665  221.8410       6.723986  198.0396       5.966091  8.197464       3.098786  
1 1 1 -14 9  32 o 127.0927 1.373991  161.6810       3.491651  159.5894       4.874089  163.8859       5.004369  -1.686035      2.747983  
1 1 1 -14 9  33 o 32.84901 0.6334295 10.79641       0.4159725 10.69998       0.5955325 10.88829       0.5812745 -0.2868843     1.266859  
1 1 1 -14 9  34 f 103.4967 1.146921  106.9012       2.368004  111.8233       3.502504  102.7570       3.213817  4.369507       2.293841  
1 1 1 -14 9  35 o 88.65080 1.010090  78.65142       1.790688  77.71654       2.508620  79.62263       2.556901  -1.073402      2.020180  
1 1 1 -14 9  36 o 123.1413 1.339859  151.4497       3.291212  158.3436       4.870502  145.6562       4.464859  5.130692       2.679717  
1 1 1 -14 9  37 f 50.23486 0.7054462 25.23591       0.7083226 25.66201       1.023063  24.84361       0.9816586 0.8132744      1.410892  
1 1 1 -14 9  38 o 47.50219 0.8369293 22.52378       0.7525761 22.77604       1.296690  22.39564       0.9241499 0.3860512      1.673859  
1 1 1 -14 9  39 o 34.90886 0.8976740 12.19290       0.6264417 12.43315       0.9027800 11.96979       0.8699751 0.6621857      1.795348  
1 1 1 -14 9  40 o 88.97047 1.429829  79.25822       2.541059  76.61155       3.488690  82.24904       3.708580  -3.151161      2.859657  
1 1 1 -14 9  41 o 36.37412 0.9003819 13.21026       0.6537619 12.13821       0.9001467 14.40705       0.9510714 -3.116108      1.800764  
1 1 1 -14 9  42 f 20.92512 0.9518812 4.426227       0.3850219 4.549897       0.4894109 4.225383       0.6236896 0.7839375      1.903762  
1 1 1 -14 9  43 o 24.63466 0.7482193 6.078634       0.3669549 5.336992       0.5120695 6.861536       0.5261208 -3.093573      1.496439  
1 1 1 -14 9  44 o 27.58787 0.7206141 7.609735       0.3968098 6.958732       0.5511065 8.310579       0.5718136 -2.448906      1.441228  
1 1 1 -14 9  45 f 44.92851 0.7178317 20.18171       0.6444228 19.02688       0.8940049 21.43073       0.9297484 -2.672993      1.435663  
1 1 1 -14 9  46 o 43.44482 0.7234470 18.90559       0.6284417 18.67466       0.8953754 19.12982       0.8822711 -0.5247612     1.446894  
1 1 1 -14 9  47 o 90.43469 1.055682  82.05603       1.909368  81.73615       2.705159  82.37359       2.695376  -0.3535156     2.111364  
1 1 1 -14 9  48 o 11.11388 1.520142  1.201862       0.3304974 2.154765       0.5214142 0.5619125      0.4272987 7.056985       3.040284  
1 1 1 -14 9  49 o 23.51599 0.8877289 5.354447       0.4097515 7.026906       0.6476803 4.238363       0.5290926 5.916212       1.775458  
1 1 1 -14 9  50 o 50.26537 0.7748927 25.14786       0.7753496 27.09509       1.167460  23.61121       1.037099  3.452057       1.549785  
1 1 1 -14 9  51 o 31.21520 0.8083288 9.799131       0.5005182 8.271002       0.7007937 11.39030       0.7151026 -4.994860      1.616658  
1 1 1 -14 9  52 o 35.78323 0.7824667 12.85508       0.5585501 12.55278       0.8141039 13.12393       0.7677507 -0.8033714     1.564933  
1 1 1 -14 9  53 o 32.43771 0.8042121 10.53635       0.5193372 10.71432       0.7753229 10.39151       0.6994331 0.4880066      1.608424  
1 1 1 -14 9  54 o 49.09238 0.8013106 24.04525       0.7836730 25.62355       1.173103  22.77324       1.053139  2.886154       1.602621  
1 1 1 -14 9  55 o 27.69255 1.072942  7.859957       0.5748304 8.375051       0.7402042 7.077319       0.9124084 2.375347       2.145884  
1 1 1 -14 9  56 o 29.04559 1.142837  8.497326       0.6624544 9.245807       0.9463645 7.778201       0.9276208 2.522278       2.285675  
1 1 1 -14 9  57 o 18.42543 2.673630  3.464396       0.9852557 3.464396       0.9852557 ?              ?         ?              ?         
1 1 1 -14 9  58 f 18.12191 4.519781  3.625300       1.634458  3.625300       1.634458  ?              ?         ?              ?         
1 1 1 -14 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 10 1  o 167.0192 2.506636  278.8695       8.361299  287.8402       12.22034  270.9734       11.46509  5.034515       5.013272  
1 1 1 -14 10 2  o 344.4236 5.088634  1192.964       35.04826  1203.882       50.05542  1182.464       49.09015  3.070404       10.17727  
1 1 1 -14 10 3  f 258.1780 3.824095  668.6599       19.74327  663.3358       27.65323  674.1954       28.19711  -2.086578      7.648190  
1 1 1 -14 10 4  f 190.8329 2.009057  364.4334       7.666638  368.2444       10.96127  360.7837       10.72705  1.951004       4.018114  
1 1 1 -14 10 5  o 172.9920 1.823210  299.2377       6.303604  293.1899       8.721300  305.8531       9.121441  -3.654205      3.646420  
1 1 1 -14 10 6  o 122.9586 1.319797  151.1990       3.244735  149.2574       4.526155  153.2518       4.654011  -1.622940      2.639595  
1 1 1 -14 10 7  o 131.2958 1.402977  172.3320       3.681756  169.0131       5.098965  175.9473       5.321756  -2.638168      2.805954  
1 1 1 -14 10 8  f 207.9359 2.672654  433.9053       10.49878  435.6273       12.89676  430.5222       18.07715  1.336594       5.345309  
1 1 1 -14 10 9  o 233.7051 3.467391  547.4338       16.20148  555.8661       23.27793  539.5110       22.56347  3.479370       6.934782  
1 1 1 -14 10 10 o 220.9283 3.280214  488.5588       14.47587  502.7982       21.11003  475.9196       19.88848  6.051483       6.560427  
1 1 1 -14 10 11 o 243.1223 3.602630  592.7783       17.51747  593.9905       24.82949  591.5769       24.71777  0.4932404      7.205260  
1 1 1 -14 10 12 o 48.37682 0.8656192 23.63388       0.8286391 20.09781       1.189468  26.96821       1.155036  -7.101158      1.731238  
1 1 1 -14 10 13 o 268.4639 3.436650  722.2228       17.38061  723.7488       30.16796  721.4646       21.26435  0.1903076      6.873300  
1 1 1 -14 10 14 o 124.7923 1.342104  154.8488       3.333135  146.8970       4.455683  164.9529       5.022605  -7.228317      2.684207  
1 1 1 -14 10 15 o 115.2641 1.784772  132.8616       4.112302  135.7961       5.931974  130.1466       5.705956  2.447365       3.569545  
1 1 1 -14 10 16 o 65.97848 0.7897915 43.22337       1.037197  40.48718       1.386523  46.69996       1.562901  -4.706997      1.579583  
1 1 1 -14 10 17 o 280.3743 2.924939  787.4692       16.39584  776.7376       22.83085  798.8979       23.56082  -3.933014      5.849877  
1 1 1 -14 10 18 o 162.9298 1.724128  264.8024       5.603034  254.6907       7.596281  276.8683       8.297899  -6.794891      3.448255  
1 1 1 -14 10 19 o 45.69859 0.6502994 20.31125       0.5848128 24.22049       0.9348961 17.79824       0.7495736 7.025623       1.300599  
1 1 1 -14 10 20 o 94.78171 1.054785  89.70913       1.996666  92.62764       2.918250  87.14038       2.737804  2.892830       2.109570  
1 1 1 -14 10 21 o 55.58080 0.7166554 30.81998       0.7954075 32.25156       1.165302  29.57115       1.088385  2.410721       1.433311  
1 1 1 -14 10 22 o 157.4603 1.670969  248.1465       5.262223  247.9001       7.436194  248.3936       7.447631  -0.1564941     3.341938  
1 1 1 -14 10 23 o 195.2716 2.054588  381.6281       8.020702  388.0074       11.54449  375.6754       11.15168  3.148651       4.109176  
1 1 1 -14 10 24 o 136.1982 1.459989  185.6247       3.976882  184.7480       5.603322  186.5146       5.645234  -0.6478271     2.919977  
1 1 1 -14 10 25 o 77.09630 0.8981274 58.51867       1.369403  65.64632       2.139392  53.57138       1.782380  7.827026       1.796255  
1 1 1 -14 10 26 o 165.2973 1.752241  272.8539       5.780281  263.3801       7.870116  283.9499       8.517290  -6.205994      3.504482  
1 1 1 -14 10 27 o 72.99538 0.8638697 53.06574       1.257403  50.41671       1.700031  56.26525       1.868333  -4.003830      1.727739  
1 1 1 -14 10 28 o 99.37135 1.107383  98.23481       2.190833  104.5506       3.292899  93.21878       2.934578  5.695175       2.214766  
1 1 1 -14 10 29 o 120.1646 1.305765  144.5109       3.137878  143.3669       4.403651  145.6908       4.472408  -0.9653091     2.611531  
1 1 1 -14 10 30 f 77.92884 0.9100740 60.21209       1.409160  65.43739       2.146786  56.25623       1.867899  5.885193       1.820148  
1 1 1 -14 10 31 o 107.7984 1.186065  116.2614       2.556236  114.3611       3.558904  118.2866       3.673968  -1.817513      2.372130  
1 1 1 -14 10 32 o 25.90963 0.6688178 6.613836       0.3439409 7.729724       0.5245786 5.772441       0.4555126 3.775862       1.337636  
1 1 1 -14 10 33 o 92.52935 1.045481  85.19228       1.925870  90.82426       2.895882  80.72615       2.578796  5.446198       2.090963  
1 1 1 -14 10 34 o 117.1783 1.280773  137.1270       2.994971  131.8955       4.075422  143.2697       4.416121  -4.838570      2.561545  
1 1 1 -14 10 35 o 47.13736 0.8289438 21.42187       0.7246836 24.39553       1.333792  20.17636       0.8632097 4.460716       1.657888  
1 1 1 -14 10 36 o 82.62426 1.338362  68.41920       2.211613  68.15566       3.122583  68.68446       3.132827  -0.3193970     2.676724  
1 1 1 -14 10 37 o 83.90224 1.361575  70.52706       2.283554  71.70236       3.293920  69.43950       3.168591  1.340630       2.723149  
1 1 1 -14 10 38 o 52.01999 1.008271  27.10955       1.048616  26.55934       1.492849  27.64544       1.473279  -1.044918      2.016542  
1 1 1 -14 10 39 o 41.86978 0.6946251 17.37551       0.5787756 15.39090       0.7778457 19.83719       0.8663061 -5.306377      1.389250  
1 1 1 -14 10 40 o 46.66592 0.7072253 21.62582       0.6563327 23.33792       0.9943705 20.30408       0.8736855 3.245739       1.414451  
1 1 1 -14 10 41 o 40.29384 0.6932877 16.26282       0.5580550 15.35813       0.7891852 17.16761       0.7892329 -2.245346      1.386575  
1 1 1 -14 10 42 o 34.16437 1.017969  11.66379       0.6940791 10.64637       0.9565811 12.79497       1.008639  -3.140789      2.035939  
1 1 1 -14 10 43 o 44.24286 0.7166790 19.59903       0.6340035 19.10457       0.8968038 20.09308       0.8964288 -1.117165      1.433358  
1 1 1 -14 10 44 o 57.89135 0.7916161 33.39124       0.9141355 31.06923       1.240052  36.15498       1.352869  -4.384995      1.583232  
1 1 1 -14 10 45 o 39.53677 0.7191870 15.66790       0.5680906 14.95439       0.8075299 16.36701       0.7993355 -1.787014      1.438374  
1 1 1 -14 10 46 o 60.23159 0.8153078 36.33875       0.9815790 36.64456       1.414952  36.05506       1.362839  0.4849548      1.630616  
1 1 1 -14 10 47 o 26.41265 0.8045781 7.028529       0.4226378 6.465704       0.6141302 7.534909       0.5825220 -2.026787      1.609156  
1 1 1 -14 10 48 o 40.37463 0.7439185 16.31781       0.5994098 14.88120       0.8345346 17.84875       0.8614948 -3.672646      1.487837  
1 1 1 -14 10 49 o 31.33341 0.7973887 9.908146       0.4958868 8.649897       0.7098154 11.10771       0.6930642 -3.923742      1.594777  
1 1 1 -14 10 50 o 50.50658 0.7810594 25.45869       0.7864866 26.91309       1.169932  24.25946       1.062354  2.615582       1.562119  
1 1 1 -14 10 51 o 12.14109 1.550384  1.609136       0.3533323 1.028670       0.5276896 2.080892       0.4757166 -4.488328      3.100767  
1 1 1 -14 10 52 o 30.45910 0.8257634 9.383964       0.4984234 8.114890       0.7164203 10.57442       0.6938745 -4.040190      1.651527  
1 1 1 -14 10 53 o 37.43980 0.7933838 14.05106       0.5928685 14.19221       0.8685640 13.92793       0.8112525 0.3452187      1.586768  
1 1 1 -14 10 54 o 36.61337 0.7984100 13.44270       0.5839865 13.55615       0.8478816 13.34032       0.8055099 0.2887764      1.596820  
1 1 1 -14 10 55 f 50.56742 1.046233  25.78652       1.051863  26.43032       1.423099  25.01124       1.561654  1.429726       2.092465  
1 1 1 -14 10 56 o 10.38981 2.327541  1.120879       0.5501460 0.7333426      0.9045463 1.348391       0.6930685 -1.763580      4.655081  
1 1 1 -14 10 57 o 60.30231 1.826971  36.73967       2.203411  36.73967       2.203411  ?              ?         ?              ?         
1 1 1 -14 10 58 o 14.84325 4.450943  2.380282       1.425227  2.380282       1.425227  ?              ?         ?              ?         
1 1 1 -14 10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 11 1  o 140.3984 2.131132  196.2514       5.957550  208.2812       8.946130  186.6655       7.985898  7.681168       4.262265  
1 1 1 -14 11 2  o 168.4568 2.533139  284.1856       8.534019  283.5557       12.00017  284.8302       12.13888  -0.3754578     5.066278  
1 1 1 -14 11 3  o 243.3391 3.610796  593.1000       17.55385  609.8353       25.54973  578.1379       24.15844  6.472961       7.221591  
1 1 1 -14 11 4  o 132.2942 1.416393  174.9846       3.745613  171.8827       5.196363  178.3392       5.403925  -2.437881      2.832787  
1 1 1 -14 11 5  o 177.0725 1.865471  313.6366       6.603746  308.7593       9.182409  318.8616       9.504113  -2.847870      3.730942  
1 1 1 -14 11 6  f 136.3582 1.457783  185.9007       3.973248  182.6737       5.507063  189.4041       5.738096  -2.465271      2.915566  
1 1 1 -14 11 7  o 141.0547 1.501599  198.9706       4.234493  202.2477       6.091628  195.9063       5.890395  2.245468       3.003198  
1 1 1 -14 11 8  o 121.8752 1.310776  147.9714       3.184169  155.8319       4.743899  141.5263       4.295591  5.864319       2.621551  
1 1 1 -14 11 9  o 76.72935 0.8795332 57.88382       1.332902  65.12621       2.094779  52.95672       1.727801  7.927559       1.759066  
1 1 1 -14 11 10 o 167.0741 1.764329  278.9992       5.889482  286.4616       8.563446  272.3016       8.112784  4.231201       3.528658  
1 1 1 -14 11 11 o 54.16560 0.6897491 28.98611       0.7414666 26.60973       0.9773409 32.20860       1.138108  -5.167366      1.379498  
1 1 1 -14 11 12 o 141.2190 1.844375  200.7530       4.950919  203.4002       6.136144  195.8152       8.380554  2.720001       3.688750  
1 1 1 -14 11 13 o 116.4609 1.544476  136.7890       3.425495  139.3367       4.260665  132.1320       5.760478  3.112984       3.088953  
1 1 1 -14 11 14 o 87.74416 1.412224  77.00698       2.477727  76.05625       3.459968  78.00774       3.549829  -1.110901      2.824447  
1 1 1 -14 11 15 o 253.1045 3.751302  642.0955       18.96875  659.8038       27.60802  626.2607       26.10662  6.575439       7.502604  
1 1 1 -14 11 16 o 167.0659 2.508739  279.3955       8.378126  274.5649       11.62600  284.6145       12.08420  -2.997086      5.017478  
1 1 1 -14 11 17 o 63.16529 0.9790908 37.46197       1.083054  45.02708       2.220238  35.09966       1.240682  7.849342       1.958182  
1 1 1 -14 11 18 o 28.57567 0.7928995 7.606162       0.3944041 9.322107       0.8192950 7.088557       0.4499742 3.905291       1.585799  
1 1 1 -14 11 19 o 137.9908 1.475936  190.5109       4.072886  188.9651       5.710668  192.1112       5.810489  -1.138443      2.951871  
1 1 1 -14 11 20 f 138.3545 1.480948  190.9700       4.087697  199.3577       6.042279  183.8916       5.550706  5.581528       2.961895  
1 1 1 -14 11 21 o 93.91357 1.048496  88.12624       1.967580  90.51181       2.856750  85.97330       2.713900  2.414673       2.096992  
1 1 1 -14 11 22 o 245.7233 2.570755  604.9796       12.63163  611.2534       18.06905  598.9828       17.66542  2.484848       5.141511  
1 1 1 -14 11 23 o 70.04805 0.8391804 48.83902       1.171603  46.34895       1.579168  51.88779       1.747365  -3.951874      1.678361  
1 1 1 -14 11 24 f 76.47652 0.8957279 58.47556       1.369603  57.40867       1.907584  59.61066       1.967633  -1.438927      1.791456  
1 1 1 -14 11 25 o 143.3842 1.532752  205.6260       4.392407  210.1308       6.355019  201.5056       6.077851  3.001343       3.065504  
1 1 1 -14 11 26 o 167.7285 1.778184  281.5325       5.961489  287.2198       8.610682  276.2968       8.261774  3.246201       3.556367  
1 1 1 -14 11 27 o 219.2860 2.303089  482.1039       10.10069  481.6870       14.27259  482.5223       14.29651  -0.1895142     4.606177  
1 1 1 -14 11 28 o 80.85278 0.9369715 65.34579       1.514098  66.90662       2.190771  63.91851       2.094957  1.846085       1.873943  
1 1 1 -14 11 29 o 93.17455 1.048180  86.87473       1.953246  86.97748       2.770534  86.77319       2.754154  0.1092453      2.096361  
1 1 1 -14 11 30 o 48.31985 0.6903624 23.25309       0.6648812 24.55090       0.9909707 22.19056       0.8966556 2.440815       1.380725  
1 1 1 -14 11 31 f 64.14151 0.9785106 40.40328       1.161357  43.18849       2.118060  39.20595       1.388727  3.084541       1.957021  
1 1 1 -14 11 32 o 44.30009 0.9170268 19.34957       0.8048203 21.75469       1.247213  17.63347       1.053521  4.645763       1.834054  
1 1 1 -14 11 33 f 64.09812 1.112900  40.88641       1.420272  43.66888       2.134697  38.67646       1.902443  3.885548       2.225800  
1 1 1 -14 11 34 o 39.62152 0.9161606 15.43453       0.7188334 12.92309       0.9514220 18.77502       1.097276  -7.379692      1.832321  
1 1 1 -14 11 35 o 76.15009 1.100918  57.45166       1.572708  56.31361       1.907663  59.86625       2.778715  -2.290916      2.201836  
1 1 1 -14 11 36 o 46.97073 0.6990093 21.97714       0.6546555 23.31705       0.9732730 20.87002       0.8846979 2.601982       1.398019  
1 1 1 -14 11 37 o 93.82845 1.499177  88.31497       2.813279  87.75357       3.970379  88.88104       3.986826  -0.5996017     2.998354  
1 1 1 -14 11 38 o 72.72155 0.8822859 52.64346       1.277601  56.07439       1.918335  49.90865       1.712700  4.229568       1.764572  
1 1 1 -14 11 39 o 21.75365 0.7911307 4.709120       0.3423081 4.991373       0.5172324 4.489153       0.4566092 1.151636       1.582261  
1 1 1 -14 11 40 o 58.16615 0.7781111 33.44623       0.8990936 30.22001       1.190566  37.72805       1.371582  -6.444969      1.556222  
1 1 1 -14 11 41 o 31.19409 0.7073332 9.718574       0.4396790 9.985149       0.6539707 9.498683       0.5939533 0.7767563      1.414666  
1 1 1 -14 11 42 o 25.81060 0.7692906 6.709037       0.3946837 6.186819       0.5759563 7.171374       0.5419305 -1.909180      1.538581  
1 1 1 -14 11 43 o 34.04825 0.7176230 11.47039       0.4857005 12.95651       0.7373571 10.33136       0.6455336 3.849590       1.435246  
1 1 1 -14 11 44 o 15.93891 1.064407  2.612205       0.3307471 2.071448       0.4876038 3.073048       0.4501341 -3.145511      2.128814  
1 1 1 -14 11 45 o 40.36546 0.7282472 16.27777       0.5865574 14.78654       0.8095010 17.92619       0.8510960 -3.885941      1.456494  
1 1 1 -14 11 46 o 23.38047 0.8325554 5.490691       0.3881335 5.279704       0.5646541 5.679676       0.5344017 -0.8580341     1.665111  
1 1 1 -14 11 47 o 15.98239 1.122545  2.513601       0.3494618 3.454424       0.5336152 1.807073       0.4624223 5.144552       2.245089  
1 1 1 -14 11 48 o 16.24910 1.129735  2.704752       0.3592273 2.325356       0.5427887 3.000442       0.4791842 -2.086220      2.259470  
1 1 1 -14 11 49 o 46.11489 0.7577977 21.16074       0.6955997 22.84240       1.047824  19.83568       0.9301149 3.247986       1.515595  
1 1 1 -14 11 50 o 23.58130 0.8846080 5.608383       0.4141053 5.285608       0.6136500 5.878276       0.5611340 -1.263149      1.769216  
1 1 1 -14 11 51 o 28.44966 0.8200797 8.131522       0.4649622 7.919062       0.6818931 8.316144       0.6356512 -0.7034225     1.640159  
1 1 1 -14 11 52 o 35.93040 0.7972304 12.97360       0.5698388 11.33052       0.7992924 14.67195       0.8126206 -4.648144      1.594461  
1 1 1 -14 11 53 o 27.72742 0.8590332 7.719097       0.4730871 7.692624       0.7114040 7.740085       0.6334527 -0.9734917E-01 1.718066  
1 1 1 -14 11 54 o 38.76810 0.8863385 15.17212       0.6834208 16.34405       0.9444923 13.88421       0.9901278 3.179710       1.772677  
1 1 1 -14 11 55 o 28.44557 1.279234  7.979672       0.7116600 9.029908       1.158830  7.343749       0.9017338 2.899647       2.558469  
1 1 1 -14 11 56 o 27.51825 1.313712  7.581780       0.7152435 8.089618       1.109096  7.220210       0.9358439 1.532925       2.627424  
1 1 1 -14 11 57 f 27.37226 1.572799  7.571812       0.8556656 7.296555       1.139602  7.927548       1.295526  -1.098269      3.145598  
1 1 1 -14 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 12 1  f 431.6797 6.398293  1883.088       55.24000  1882.096       77.99097  1884.086       78.25200  -0.2153625     12.79659  
1 1 1 -14 12 2  o 195.5750 2.924626  382.8268       11.42774  393.8519       16.62488  372.9512       15.73439  5.319901       5.849252  
1 1 1 -14 12 3  o 152.1231 2.301795  231.1351       6.987688  223.3949       9.512243  240.2083       10.29871  -5.510040      4.603590  
1 1 1 -14 12 4  o 105.8711 1.153769  112.0774       2.442220  113.8833       3.508220  110.3792       3.401877  1.653778       2.307537  
1 1 1 -14 12 5  f 159.2585 1.685383  253.5892       5.364210  248.3635       7.416256  259.3228       7.768255  -3.435471      3.370766  
1 1 1 -14 12 6  o 160.3431 1.696068  257.2740       5.438860  256.0878       7.652886  258.4846       7.731130  -0.7462311     3.392136  
1 1 1 -14 12 7  o 181.6446 1.912380  330.1423       6.945553  334.6350       9.963709  325.8955       9.687120  2.400970       3.824760  
1 1 1 -14 12 8  o 39.60799 0.5916667 15.66596       0.4683077 16.27338       0.6793383 15.11592       0.6464586 1.460972       1.183333  
1 1 1 -14 12 9  o 163.5484 1.729646  267.6692       5.657343  266.2805       7.954082  269.0910       8.048129  -0.8577576     3.459292  
1 1 1 -14 12 10 o 187.5493 1.973702  351.9506       7.400761  357.3906       10.63557  346.8438       10.30478  2.805832       3.947404  
1 1 1 -14 12 11 o 41.44411 0.6102282 16.89371       0.5012713 19.42492       0.7744624 15.06877       0.6575971 5.254803       1.220456  
1 1 1 -14 12 12 o 155.6520 1.651181  241.3745       5.121315  254.4630       7.645728  230.7233       6.897233  7.614532       3.302361  
1 1 1 -14 12 13 o 253.6766 2.649728  644.7099       13.44342  643.6722       18.97828  645.7549       19.04563  -0.4088287     5.299455  
1 1 1 -14 12 14 o 143.8967 2.184830  205.7439       6.247414  194.2552       8.291574  220.8316       9.501949  -9.209244      4.369660  
1 1 1 -14 12 15 o 163.4528 1.730160  267.2720       5.653832  271.4768       8.131124  263.3360       7.866874  2.485733       3.460320  
1 1 1 -14 12 16 o 188.8318 1.987578  356.7748       7.502713  363.2610       10.81432  350.7557       10.41767  3.303177       3.975157  
1 1 1 -14 12 17 f 95.19523 1.321041  89.58065       2.317997  87.91990       2.770092  93.45992       4.233652  -2.889740      2.642081  
1 1 1 -14 12 18 o 74.88768 1.085867  56.53571       1.536280  57.45292       1.893158  54.76695       2.628974  1.801872       2.171733  
1 1 1 -14 12 19 o 79.66534 1.325217  63.50107       2.111458  63.51800       2.979944  63.48400       2.992198  0.2153015E-01  2.650433  
1 1 1 -14 12 20 o 148.5980 2.250466  221.1399       6.687181  218.9957       9.355590  223.3798       9.561991  -1.469727      4.500932  
1 1 1 -14 12 21 o 54.69238 1.062780  29.92541       1.162452  30.03795       1.637016  29.81093       1.650985  0.2077255      2.125561  
1 1 1 -14 12 22 o 63.69209 1.149630  40.58492       1.464314  40.43012       2.055401  40.74446       2.086658  -0.2462807     2.299259  
1 1 1 -14 12 23 f 55.59320 0.9156651 30.76070       0.9433447 31.33119       1.696588  30.50540       1.134966  0.7352219      1.831330  
1 1 1 -14 12 24 o 209.2369 2.376062  439.4645       9.862011  434.4470       14.88561  443.3898       13.16612  -2.201508      4.752124  
1 1 1 -14 12 25 o 142.3814 1.525440  202.6099       4.337941  196.8946       5.950809  209.0908       6.336931  -4.273117      3.050881  
1 1 1 -14 12 26 o 245.0226 2.569009  601.7750       12.57731  617.1608       18.27050  587.9166       17.33996  5.923096       5.138018  
1 1 1 -14 12 27 f 107.7581 1.191369  115.3345       2.551601  123.8562       3.876919  108.8223       3.389098  6.963371       2.382739  
1 1 1 -14 12 28 o 215.7339 2.805567  461.3983       11.17748  484.5309       20.36530  451.4259       13.37144  7.223602       5.611134  
1 1 1 -14 12 29 o 143.5192 2.169240  206.5363       6.222602  210.7173       8.993472  202.6965       8.618664  2.773254       4.338480  
1 1 1 -14 12 30 o 37.30445 0.8925622 13.79869       0.6619193 11.88825       0.8933871 16.12377       0.9855789 -5.674522      1.785124  
1 1 1 -14 12 31 o 88.05026 1.405247  77.62986       2.473392  78.89367       3.565739  76.45785       3.433800  1.377106       2.810494  
1 1 1 -14 12 32 f 74.92102 1.087079  55.06913       1.508196  53.30791       1.803716  59.16233       2.749750  -3.871941      2.174158  
1 1 1 -14 12 33 o 26.87232 0.6859725 7.243646       0.3664946 6.286370       0.5146101 8.228892       0.5220739 -3.614155      1.371945  
1 1 1 -14 12 34 o 18.22071 0.8773119 3.460729       0.3014643 2.159904       0.4285105 4.735468       0.4241922 -7.067842      1.754624  
1 1 1 -14 12 35 f 37.27250 0.6642017 13.90173       0.4948458 13.29468       0.6967208 14.51969       0.7029562 -1.643127      1.328403  
1 1 1 -14 12 36 o 51.22768 0.9984684 26.25162       1.022335  25.02728       1.421611  27.56297       1.471269  -2.472439      1.996937  
1 1 1 -14 12 37 o 67.40857 0.8387622 45.05451       1.122780  49.03125       1.715936  42.07718       1.484740  5.147743       1.677524  
1 1 1 -14 12 38 o 22.89658 0.7643996 5.223403       0.3478977 5.455513       0.5263925 5.043384       0.4635757 0.8972740      1.528799  
1 1 1 -14 12 39 o 37.19928 0.6874190 13.46876       0.5036184 16.16227       0.8020568 11.71555       0.6470855 5.970104       1.374838  
1 1 1 -14 12 40 f 22.29528 0.8141775 5.001385       0.3607923 4.718956       0.5316007 5.242574       0.4912585 -1.176580      1.628355  
1 1 1 -14 12 41 o 28.14083 1.106344  7.945035       0.6184755 6.777710       0.8606361 9.191651       0.8893853 -4.286739      2.212687  
1 1 1 -14 12 42 o 28.01381 0.7428647 7.595586       0.4088554 9.869282       0.6458730 6.075212       0.5281488 6.764616       1.485729  
1 1 1 -14 12 43 o 42.08809 0.7210491 17.65447       0.6050394 18.75499       0.9002759 16.74798       0.8170723 2.378956       1.442098  
1 1 1 -14 12 44 o 27.20827 0.7732842 7.342676       0.4181622 8.062604       0.6363474 6.795531       0.5547550 2.322109       1.546568  
1 1 1 -14 12 45 o 28.39464 0.7745084 8.100576       0.4373272 7.835741       0.6481733 8.321882       0.5925158 -0.8605862     1.549017  
1 1 1 -14 12 46 o 48.56678 0.7573895 23.43527       0.7316917 25.48599       1.107388  21.84627       0.9747861 3.735664       1.514779  
1 1 1 -14 12 47 o 35.59343 0.7451933 12.71401       0.5294186 11.84160       0.7511857 13.57501       0.7462605 -2.435463      1.490387  
1 1 1 -14 12 48 o 24.71093 0.8567574 5.937924       0.4169411 7.476090       0.6578615 4.905281       0.5390239 5.188164       1.713515  
1 1 1 -14 12 49 o 15.64188 1.173100  2.444757       0.3656425 2.636143       0.5465032 2.289657       0.4919776 1.098722       2.346199  
1 1 1 -14 12 50 o 40.54057 0.7787654 16.49382       0.6300307 16.19548       0.9174484 16.76007       0.8667106 -0.7020912     1.557531  
1 1 1 -14 12 51 o 45.05397 0.7825153 20.27128       0.7028829 21.35040       1.045306  19.38068       0.9496217 2.174248       1.565031  
1 1 1 -14 12 52 o 48.20293 0.8020813 23.32480       0.7721398 21.80673       1.088722  24.86112       1.095248  -3.167343      1.604163  
1 1 1 -14 12 53 o 11.38781 1.728756  1.379692       0.3858078 1.098110       0.5866844 1.594244       0.5121154 -2.346776      3.457512  
1 1 1 -14 12 54 f 10.04128 2.102582  0.9576337      0.4880488 1.629109       0.7214964 0.3912051      0.6626613 4.672677       4.205163  
1 1 1 -14 12 55 o 6.465248 2.077524  -0.4655207     0.5555532 -0.2667060     0.9462243 -0.5701090     0.6862957 1.781457       4.155047  
1 1 1 -14 12 56 o 26.85551 1.419774  7.521308       0.7395026 5.925377       1.103845  8.820808       0.9960688 -5.424061      2.839548  
1 1 1 -14 12 57 o 9.448312 3.676163  0.6200290      0.9988363 0.6200290      0.9988363 ?              ?         ?              ?         
1 1 1 -14 12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 13 1  o 188.3228 2.817510  355.2655       10.60694  349.6125       14.73112  361.3516       15.28519  -3.100998      5.635019  
1 1 1 -14 13 2  o 115.2464 1.788060  132.3994       4.107915  126.6995       5.546708  139.3237       6.113502  -5.466957      3.576120  
1 1 1 -14 13 3  o 32.10387 0.9864775 10.25306       0.6296173 11.96215       0.9252872 8.779372       0.8592071 4.956366       1.972955  
1 1 1 -14 13 4  f 71.59904 0.8324148 50.37776       1.177045  45.97563       1.525156  56.86133       1.850930  -7.599213      1.664830  
1 1 1 -14 13 5  o 157.3361 1.667687  247.5220       5.244037  253.1214       7.589486  242.4064       7.254243  3.399719       3.335374  
1 1 1 -14 13 6  o 88.30615 0.9884495 76.73647       1.724130  85.88477       2.707479  70.49608       2.236149  8.708763       1.976899  
1 1 1 -14 13 7  o 131.2383 1.405506  172.1998       3.686838  168.9002       5.107308  175.7904       5.327621  -2.622070      2.811012  
1 1 1 -14 13 8  o 122.7045 1.321852  150.5289       3.242028  147.6902       4.493176  153.6119       4.682524  -2.410561      2.643704  
1 1 1 -14 13 9  o 21.55287 0.5945575 4.540037       0.2528794 5.725099       0.3898186 3.678978       0.3322835 4.746414       1.189115  
1 1 1 -14 13 10 f 173.9545 1.836283  302.3952       6.379826  294.0346       8.752039  311.8751       9.319551  -5.117538      3.672566  
1 1 1 -14 13 11 o 141.4742 1.509578  199.3483       4.254879  210.4753       6.360987  190.3384       5.723923  7.107056       3.019156  
1 1 1 -14 13 12 o 129.1528 1.388460  166.7152       3.583189  162.8696       4.942235  170.9765       5.202571  -3.134750      2.776919  
1 1 1 -14 13 13 o 116.7696 1.265924  136.2772       2.953999  133.1807       4.079320  139.6911       4.283313  -2.784966      2.531847  
1 1 1 -14 13 14 o 85.93292 0.9755847 73.86127       1.676632  74.40252       2.383952  73.33151       2.358486  0.6229019      1.951169  
1 1 1 -14 13 15 o 258.7344 2.704828  670.2393       13.98361  655.3527       19.28531  686.7428       20.30574  -6.035767      5.409656  
1 1 1 -14 13 16 o 183.8538 1.938032  338.3347       7.124696  342.5067       10.20612  334.3692       9.950426  2.207458       3.876064  
1 1 1 -14 13 17 o 14.17659 0.8373691 1.962865       0.2333422 2.565772       0.3591230 1.522352       0.3069713 3.679581       1.674738  
1 1 1 -14 13 18 f 45.70631 0.6624689 20.83273       0.6046782 19.70463       0.8286204 22.11779       0.8843896 -2.639412      1.324938  
1 1 1 -14 13 19 o 23.79024 0.6866266 5.651632       0.3192519 4.151132       0.4349713 7.403885       0.4700467 -6.836018      1.373253  
1 1 1 -14 13 20 o 91.89307 1.032756  83.47568       1.880584  91.67993       2.907151  77.57221       2.466048  7.669838       2.065512  
1 1 1 -14 13 21 o 115.1626 1.255122  132.5977       2.888887  129.7631       3.997406  135.6966       4.179694  -2.572693      2.510244  
1 1 1 -14 13 22 o 39.22609 0.6427248 15.30538       0.5027090 13.85053       0.6844029 17.00998       0.7408194 -4.026649      1.285450  
1 1 1 -14 13 23 o 86.79704 1.225660  75.15469       1.987655  74.73354       2.410006  76.05050       3.514885  -0.7364731     2.451321  
1 1 1 -14 13 24 o 109.9616 1.709134  120.4364       3.739802  114.9381       4.999601  127.4209       5.634982  -5.656075      3.418267  
1 1 1 -14 13 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 13 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 13 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 13 28 o 151.9631 3.267001  231.9044       9.929271  231.9044       9.929271  ?              ?         ?              ?         
1 1 1 -14 13 29 o 133.1108 2.044761  177.7633       5.441523  175.0239       7.571095  180.6904       7.826197  -2.112030      4.089521  
1 1 1 -14 13 30 o 118.8634 1.600416  140.9223       3.553007  143.6038       6.296615  139.6697       4.303605  1.549202       3.200832  
1 1 1 -14 13 31 o 116.6428 1.550162  138.5141       3.501868  127.2712       5.581426  145.8131       4.497154  -8.007675      3.100325  
1 1 1 -14 13 32 f 113.2935 1.245559  128.5018       2.820855  125.9539       3.914691  131.2535       4.068325  -2.330879      2.491118  
1 1 1 -14 13 33 o 56.27343 0.7522511 31.42360       0.8428100 28.87828       1.128655  34.63197       1.267159  -5.107574      1.504502  
1 1 1 -14 13 34 o 70.19225 0.8556742 49.29442       1.200663  50.03373       1.729689  48.60691       1.667978  1.013870       1.711348  
1 1 1 -14 13 35 o 93.14874 1.483297  86.91435       2.760633  84.28487       3.802708  89.84435       4.014112  -2.968193      2.966593  
1 1 1 -14 13 36 o 45.32415 0.6953499 20.41702       0.6272765 21.95504       0.9452778 19.20685       0.8384964 3.027695       1.390700  
1 1 1 -14 13 37 o 69.53438 0.8568051 48.39800       1.191429  47.55878       1.671961  49.26378       1.698215  -1.224731      1.713610  
1 1 1 -14 13 38 o 73.70284 0.8954102 53.47751       1.305532  48.46659       1.700157  60.67804       2.038039  -8.264671      1.790820  
1 1 1 -14 13 39 o 44.66905 0.7094047 19.94133       0.6328067 20.52295       0.9256065 19.43092       0.8671033 1.219444       1.418809  
1 1 1 -14 13 40 o 45.68055 0.7201592 20.74476       0.6556091 18.75195       0.8871766 23.14234       0.9731134 -4.801022      1.440318  
1 1 1 -14 13 41 o 68.17705 0.8603391 46.51184       1.172477  44.94235       1.626746  48.20858       1.691410  -2.390823      1.720678  
1 1 1 -14 13 42 o 8.469912 1.496493  0.7382944      0.3019013 0.6574815E-01  0.4570901 1.258715       0.4020852 -5.453351      2.992985  
1 1 1 -14 13 43 o 52.65048 0.7624460 27.72079       0.8021519 26.26209       1.110441  29.31262       1.160010  -2.893181      1.524892  
1 1 1 -14 13 44 f 44.79878 0.7400383 20.10921       0.6625432 19.14371       0.9347976 21.08377       0.9391730 -2.164963      1.480077  
1 1 1 -14 13 45 f 55.06400 0.7870646 30.32393       0.8653423 31.31890       1.268028  29.45666       1.183860  1.683468       1.574129  
1 1 1 -14 13 46 o 34.58795 0.7505051 12.01340       0.5179238 11.19042       0.7384709 12.81011       0.7265835 -2.342506      1.501010  
1 1 1 -14 13 47 f 59.28783 0.8230855 34.93581       0.9701290 37.95985       1.473363  32.62127       1.288988  4.482105       1.646171  
1 1 1 -14 13 48 o 24.81478 0.8803567 6.149501       0.4350717 6.454616       0.6515894 5.904030       0.5844415 1.101290       1.760713  
1 1 1 -14 13 49 o 61.86837 0.8473662 38.39088       1.048394  37.67106       1.479811  39.11625       1.485510  -1.167248      1.694732  
1 1 1 -14 13 50 o 52.56664 0.8041970 27.50094       0.8409665 29.68130       1.271622  25.80605       1.121151  3.667557       1.608394  
1 1 1 -14 13 51 o 27.86526 0.8670001 7.870208       0.4782461 6.798367       0.6910949 8.855173       0.6624954 -3.694859      1.734000  
1 1 1 -14 13 52 o 38.10025 0.8004075 14.30124       0.6041300 16.61756       0.9353990 12.64359       0.7913032 5.194775       1.600815  
1 1 1 -14 13 53 o 11.93828 1.880132  1.588334       0.4635376 2.271994       0.6185029 0.7122759      0.7001447 6.103407       3.760264  
1 1 1 -14 13 54 o 23.86579 1.406698  5.433092       0.6480064 7.067602       1.109138  4.586034       0.7984517 5.111597       2.813395  
1 1 1 -14 13 55 o 32.30326 1.248793  10.61869       0.7878695 10.12819       1.240896  10.94997       1.019793  -1.331741      2.497586  
1 1 1 -14 13 56 f 32.03182 1.308572  10.51598       0.8241123 8.469769       1.181074  12.45752       1.150470  -6.233372      2.617144  
1 1 1 -14 13 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 14 1  o 236.2715 3.513585  560.3343       16.60069  555.1891       23.23718  565.6973       23.72424  -2.204514      7.027170  
1 1 1 -14 14 2  o 118.7334 1.840585  141.0730       4.369410  139.1214       6.088637  143.1452       6.274093  -1.690659      3.681169  
1 1 1 -14 14 3  o 158.1157 1.679647  249.3074       5.294734  239.4296       7.155565  261.2601       7.871268  -6.890091      3.359294  
1 1 1 -14 14 4  o 57.10905 0.7172062 32.61367       0.8191044 33.12758       1.167567  32.11560       1.149423  0.8858604      1.434412  
1 1 1 -14 14 5  o 178.3748 1.884800  318.3689       6.720886  313.7226       9.337544  323.3636       9.681310  -2.695389      3.769600  
1 1 1 -14 14 6  o 44.93472 0.6301409 20.15205       0.5655143 20.95943       0.8268150 19.44234       0.7751945 1.687752       1.260282  
1 1 1 -14 14 7  o 83.40123 0.9471750 68.73528       1.565724  63.69675       2.054438  75.71681       2.418337  -7.202393      1.894350  
1 1 1 -14 14 8  o 104.3756 1.145565  108.6271       2.385174  113.7814       3.529756  104.2958       3.235688  4.540298       2.291130  
1 1 1 -14 14 9  o 223.8900 2.345959  501.8675       10.50005  493.9052       14.59121  510.4192       15.12163  -3.674225      4.691917  
1 1 1 -14 14 10 o 126.7800 1.366479  160.8207       3.464763  161.5994       4.920431  160.0549       4.879654  0.6085205      2.732958  
1 1 1 -14 14 11 o 218.0063 2.286377  475.5771       9.960201  465.2082       13.74697  487.0354       14.45110  -4.987976      4.572753  
1 1 1 -14 14 12 o 72.35101 0.8521596 51.93278       1.226011  56.24222       1.858843  48.61470       1.631082  5.268967       1.704319  
1 1 1 -14 14 13 o 70.15015 1.223079  49.20767       1.715182  48.40091       2.382443  50.07570       2.471261  -1.192451      2.446157  
1 1 1 -14 14 14 o 207.1400 2.176160  429.2883       9.007032  419.4824       12.42161  440.1605       13.07958  -4.974152      4.352321  
1 1 1 -14 14 15 o 104.9856 1.155471  110.2681       2.426084  109.8561       3.415468  110.6877       3.446747  -0.3955765     2.310942  
1 1 1 -14 14 16 o 142.8445 1.526853  203.1796       4.343663  215.1282       6.511436  193.5992       5.830544  7.522186       3.053707  
1 1 1 -14 14 17 o 118.8859 1.291928  140.8082       3.060778  134.5491       4.123751  148.4864       4.567346  -5.853607      2.583856  
1 1 1 -14 14 18 o 79.74724 0.9221612 62.92279       1.458906  68.96589       2.242485  58.48806       1.921025  6.564964       1.844322  
1 1 1 -14 14 19 o 47.03539 0.6731187 22.08807       0.6324611 22.92155       0.9221902 21.34789       0.8690441 1.672279       1.346237  
1 1 1 -14 14 20 o 175.0097 1.851686  306.5886       6.478175  301.3386       8.996382  312.2426       9.336104  -3.105042      3.703371  
1 1 1 -14 14 21 o 154.7386 2.039321  234.0576       5.753839  254.1617       10.80719  226.1046       6.797311  8.927795       4.078642  
1 1 1 -14 14 22 o 48.08810 0.9100812 23.11943       0.8744491 23.47299       1.268537  22.79930       1.207067  0.6994209      1.820162  
1 1 1 -14 14 23 o 195.8638 2.919433  384.9100       11.41947  373.8927       15.65025  397.4547       16.69995  -5.950043      5.838867  
1 1 1 -14 14 24 o 82.32841 1.323943  67.36714       2.167417  72.26015       3.284018  63.59097       2.884984  5.252968       2.647887  
1 1 1 -14 14 25 o 124.9683 1.665606  153.8886       3.843208  149.9225       4.591778  163.1660       7.022901  -5.200600      3.331212  
1 1 1 -14 14 26 o 250.3187 2.628606  629.6442       13.15408  640.0588       18.93843  619.9368       18.28416  3.972031       5.257211  
1 1 1 -14 14 27 o 32.50055 0.6437008 10.51903       0.4173270 11.23427       0.6180152 9.919516       0.5658130 2.021629       1.287402  
1 1 1 -14 14 28 o 157.5815 1.680767  248.9441       5.296577  246.8072       7.424729  251.1586       7.558033  -1.373260      3.361533  
1 1 1 -14 14 29 o 117.7203 1.285478  138.7567       3.025634  140.6844       4.342891  136.9386       4.217643  1.585396       2.570957  
1 1 1 -14 14 30 o 64.43714 0.8084370 41.50342       1.040969  42.65914       1.510622  40.45837       1.436480  1.705341       1.616874  
1 1 1 -14 14 31 o 124.0951 1.669025  153.6695       3.864755  152.1611       4.676475  156.9191       6.863999  -1.758896      3.338050  
1 1 1 -14 14 32 o 46.44093 0.8741233 22.01512       0.7718354 23.06910       0.9662900 20.15737       1.282870  3.147285       1.748247  
1 1 1 -14 14 33 o 42.06664 1.014716  17.70171       0.8530918 18.21277       1.235572  17.23614       1.179302  1.158039       2.029432  
1 1 1 -14 14 34 o 111.1706 1.765099  123.9954       3.920635  120.6977       5.400849  127.6691       5.700509  -3.107750      3.530197  
1 1 1 -14 14 35 o 65.31024 1.190136  42.73501       1.554322  41.99977       2.175220  43.50208       2.221807  -1.147110      2.380272  
1 1 1 -14 14 36 f 65.89940 1.202378  43.25841       1.577909  46.40624       2.369016  40.74836       2.115451  4.274975       2.404755  
1 1 1 -14 14 37 o 62.16790 1.160870  38.44646       1.436943  35.64182       1.924276  41.98182       2.160456  -5.080772      2.321740  
1 1 1 -14 14 38 o 47.62538 1.047494  22.62805       0.9949911 24.10940       1.475779  21.39350       1.347248  2.841873       2.094989  
1 1 1 -14 14 39 o 34.16811 1.032891  11.65993       0.7019158 10.03639       0.9639195 13.49263       1.024132  -5.053083      2.065782  
1 1 1 -14 14 40 o 29.94300 1.074597  8.937464       0.6416218 9.751444       0.9519126 8.259757       0.8685824 2.483448       2.149194  
1 1 1 -14 14 41 o 34.91848 0.9062890 12.43973       0.5788909 11.66359       1.042643  12.78561       0.6960273 -1.633991      1.812578  
1 1 1 -14 14 42 o 72.99631 0.9819498 53.71867       1.424364  50.28201       2.094599  56.67487       1.942677  -4.393875      1.963900  
1 1 1 -14 14 43 o 7.838038 1.783636  0.6040697      0.3144716 0.5735808      0.4960579 0.6245553      0.4066192 -0.2155828E-01 3.567273  
1 1 1 -14 14 44 o 67.80661 0.8701086 46.09125       1.179866  45.31119       1.667529  46.87329       1.669639  -1.151680      1.740217  
1 1 1 -14 14 45 o 33.53754 0.7600901 11.29828       0.5064700 11.01032       0.7557864 11.53300       0.6823441 -0.7860603     1.520180  
1 1 1 -14 14 46 f 86.46732 1.027498  74.62148       1.768333  79.37904       2.662284  70.86539       2.365536  4.882698       2.054997  
1 1 1 -14 14 47 o 34.69270 0.7742023 12.05242       0.5349761 12.18625       0.7953819 11.94185       0.7229372 0.3445740      1.548405  
1 1 1 -14 14 48 o 28.32166 0.8288514 7.884947       0.4637417 9.073079       0.7288263 7.076693       0.6011271 3.509073       1.657703  
1 1 1 -14 14 49 f 29.52174 0.8327189 8.686608       0.4892443 9.271535       0.7372841 8.226399       0.6539751 1.759642       1.665438  
1 1 1 -14 14 50 o 23.59374 0.9272346 5.439529       0.4315324 6.626289       0.6805012 4.641300       0.5580986 4.187260       1.854469  
1 1 1 -14 14 51 o 35.38463 0.8101101 12.52287       0.5714918 13.02743       0.8488343 12.10452       0.7729132 1.293270       1.620220  
1 1 1 -14 14 52 o 29.74058 0.9525636 8.900666       0.5648425 9.088651       0.7738829 8.686350       0.8263076 0.6854401      1.905127  
1 1 1 -14 14 53 o 34.54554 1.200271  12.14364       0.8138349 9.395770       1.141482  14.98447       1.160630  -8.084425      2.400542  
1 1 1 -14 14 54 o 21.35853 1.535608  4.721104       0.6382762 4.136195       0.9868439 5.141766       0.8368946 -2.401968      3.071216  
1 1 1 -14 14 55 o 14.64195 2.153645  2.218160       0.6005322 2.653898       0.9612786 1.939248       0.7690780 2.295924       4.307289  
1 1 1 -14 14 56 o 37.27213 1.820421  14.04322       1.357019  14.04322       1.357019  ?              ?         ?              ?         
1 1 1 -14 14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 15 1  o 93.08582 1.504501  86.72338       2.800953  86.72213       3.962139  86.72465       3.960153  -0.1388550E-02 3.009001  
1 1 1 -14 15 2  o 89.46880 1.003316  80.07045       1.795167  79.64816       2.520296  80.50533       2.557613  -0.4785538     2.006632  
1 1 1 -14 15 3  o 116.8253 1.265305  136.5587       2.956371  136.2092       4.170960  136.9115       4.190991  -0.3002548     2.530611  
1 1 1 -14 15 4  o 276.5925 2.889616  765.7586       15.95708  742.7277       21.81114  792.2821       23.40668  -8.900085      5.779233  
1 1 1 -14 15 5  o 184.2316 1.942774  339.8300       7.157742  337.4578       10.04153  342.2803       10.20561  -1.304855      3.885548  
1 1 1 -14 15 6  o 210.4173 2.208762  443.4929       9.294840  441.2100       13.07281  445.8267       13.21817  -1.093033      4.417524  
1 1 1 -14 15 7  o 119.5056 1.295121  142.8279       3.094282  145.3840       4.451588  140.4385       4.304091  2.066750       2.590242  
1 1 1 -14 15 8  f 46.90790 0.6495871 21.95845       0.6086778 23.01159       0.8878326 21.02447       0.8360960 2.117680       1.299174  
1 1 1 -14 15 9  o 178.9805 1.888705  320.6665       6.759286  324.5785       9.683534  316.9495       9.439296  2.125351       3.777409  
1 1 1 -14 15 10 o 47.79737 0.6602807 22.56743       0.6265466 25.20319       0.9599522 20.61128       0.8269832 4.802364       1.320561  
1 1 1 -14 15 11 o 262.0696 2.740546  688.7486       14.36412  687.1133       20.25870  690.4019       20.36963  -0.6233826     5.481091  
1 1 1 -14 15 12 o 189.5396 1.997365  359.8138       7.571594  359.7212       10.70593  359.9066       10.70977  -0.4881287E-01 3.994730  
1 1 1 -14 15 13 o 69.74353 0.8331850 48.42665       1.158535  45.91621       1.564596  51.47392       1.723776  -3.982475      1.666370  
1 1 1 -14 15 14 o 137.0534 1.469701  187.8389       4.025598  183.8277       5.566392  192.2373       5.828776  -3.062210      2.939401  
1 1 1 -14 15 15 o 20.81582 0.6775977 4.338344       0.2813566 4.267900       0.4112525 4.400326       0.3857660 -0.3183575     1.355195  
1 1 1 -14 15 16 o 96.69708 1.078002  93.19972       2.078597  97.94598       3.086286  89.25965       2.811985  4.486794       2.156004  
1 1 1 -14 15 17 o 185.5437 2.426810  336.8289       8.199857  365.4359       15.43061  325.5717       9.679689  10.51677       4.853620  
1 1 1 -14 15 18 o 117.1058 1.787790  134.5178       4.118081  122.8224       5.279232  152.6946       6.581416  -12.71423      3.575580  
1 1 1 -14 15 19 o 119.2119 1.816735  141.8123       4.317624  148.9468       6.422012  135.9274       5.832546  5.440605       3.633469  
1 1 1 -14 15 20 o 56.64432 0.9964786 32.03241       1.127548  30.60909       1.549323  33.63517       1.644081  -2.669182      1.992957  
1 1 1 -14 15 21 o 105.2974 1.418570  110.0442       2.795653  108.3084       3.386875  113.7557       4.952498  -2.538193      2.837140  
1 1 1 -14 15 22 o 193.2876 2.041470  374.0359       7.881391  385.6798       11.50615  363.7439       10.81763  5.641556       4.082941  
1 1 1 -14 15 23 o 125.0058 1.355993  156.2593       3.386434  152.2279       4.659987  160.7709       4.929666  -3.407799      2.711986  
1 1 1 -14 15 24 o 181.8481 1.925495  331.4758       6.999637  337.3398       10.08645  326.0284       9.721589  3.090424       3.850991  
1 1 1 -14 15 25 o 83.74483 0.9636859 69.76421       1.606693  74.48681       2.415945  66.01920       2.151407  5.047691       1.927372  
1 1 1 -14 15 26 o 102.4498 1.138576  105.0446       2.332200  106.7014       3.349417  103.4853       3.249317  1.565826       2.277152  
1 1 1 -14 15 27 o 70.28160 0.8489134 49.36418       1.192292  47.85480       1.646069  51.03011       1.729321  -2.256554      1.697827  
1 1 1 -14 15 28 o 79.33679 0.9272057 62.75047       1.466725  66.08779       2.179712  59.98896       1.982771  3.836693       1.854411  
1 1 1 -14 15 29 f 74.22598 0.8863840 55.14766       1.315839  54.78323       1.859050  55.51354       1.862710  -0.4918060     1.772768  
1 1 1 -14 15 30 o 93.90102 1.062659  88.30155       1.995690  88.18246       2.824187  88.42032       2.820479  -0.1268387     2.125317  
1 1 1 -14 15 31 o 72.21040 0.8723145 52.05257       1.257314  54.40729       1.850098  50.03174       1.713921  3.024101       1.744629  
1 1 1 -14 15 32 o 85.74728 1.384024  73.72694       2.373369  73.81268       3.376862  73.64325       3.336404  0.9595490E-01  2.768049  
1 1 1 -14 15 33 o 52.84260 0.7370642 27.57133       0.7734866 24.72440       1.023310  31.36579       1.181392  -6.277874      1.474128  
1 1 1 -14 15 34 o 49.29379 0.7190650 24.13294       0.7057344 26.29968       1.061276  22.41519       0.9449411 3.935471       1.438130  
1 1 1 -14 15 35 o 55.50284 0.7596696 30.57572       0.8394839 28.05589       1.124468  33.74852       1.261780  -5.121838      1.519339  
1 1 1 -14 15 36 o 9.700781 1.472453  0.9527780      0.2729649 1.150362       0.4357707 0.8251893      0.3501772 1.621266       2.944906  
1 1 1 -14 15 37 o 89.76021 1.033421  80.60406       1.852552  83.15740       2.707909  78.35766       2.539956  2.661476       2.066842  
1 1 1 -14 15 38 o 87.94991 1.021352  77.52938       1.796541  77.27222       2.542897  77.78565       2.538495  -0.2922440     2.042704  
1 1 1 -14 15 39 o 72.14161 0.8878202 52.13062       1.280509  52.53713       1.838904  51.74794       1.784163  0.5428772      1.775640  
1 1 1 -14 15 40 o 46.17700 0.7317568 21.33547       0.6750804 19.98171       0.9412892 22.76926       0.9687174 -3.016491      1.463514  
1 1 1 -14 15 41 f 23.54424 0.8195459 5.566013       0.3831692 5.449487       0.5740037 5.659674       0.5146142 -0.4513397     1.639092  
1 1 1 -14 15 42 o 28.19813 0.8275771 7.977429       0.4655145 8.116055       0.6390190 7.820675       0.6795198 0.5273113      1.655154  
1 1 1 -14 15 43 o 40.48231 0.9205591 16.53358       0.7080798 16.76197       0.8774370 16.10713       1.198977  0.8421288      1.841118  
1 1 1 -14 15 44 o 20.51903 1.154151  4.080527       0.4596660 3.657260       0.5730165 4.844552       0.7698643 -2.865067      2.308302  
1 1 1 -14 15 45 o 63.38931 1.045152  41.14352       1.283532  44.06533       1.659110  36.78811       2.025644  5.790092       2.090304  
1 1 1 -14 15 46 o 48.23310 1.025333  23.21592       0.9669338 22.69961       1.236591  24.02832       1.551165  -1.333405      2.050666  
1 1 1 -14 15 47 o 100.5608 1.655770  102.0943       3.325818  105.4975       4.854476  99.08403       4.565636  3.119308       3.311540  
1 1 1 -14 15 48 o 30.43486 1.183364  9.296017       0.7185940 9.622604       1.060172  9.018457       0.9773622 0.9777756      2.366728  
1 1 1 -14 15 49 o 27.34252 1.227402  7.504325       0.6691387 7.845504       0.9937869 7.221363       0.9050373 1.122866       2.454803  
1 1 1 -14 15 50 o 18.35523 1.634294  3.426092       0.5971915 3.258943       0.8740592 3.572435       0.8178526 -0.8701038     3.268588  
1 1 1 -14 15 51 o 60.12496 1.606688  36.51748       1.769274  36.35234       2.112646  36.90531       3.237550  -0.1392479     3.213376  
1 1 1 -14 15 52 o 25.16774 2.855159  6.478004       1.437158  6.478004       1.437158  ?              ?         ?              ?         
1 1 1 -14 15 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 15 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 15 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 15 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 16 1  o 71.83951 0.8457176 51.15320       1.207489  55.76650       1.837267  47.64536       1.602086  5.649055       1.691435  
1 1 1 -14 16 2  o 40.44542 0.5959153 16.35143       0.4818628 16.70182       0.6930775 16.02360       0.6704019 0.8382301      1.191831  
1 1 1 -14 16 3  o 48.99318 0.6609054 22.91540       0.6298473 28.91068       1.051504  19.56064       0.7865701 9.539394       1.321811  
1 1 1 -14 16 4  o 176.0640 1.859843  310.4566       6.548903  311.6084       9.296408  309.3220       9.227074  0.6472931      3.719687  
1 1 1 -14 16 5  o 204.1964 2.146366  417.5276       8.760489  409.8543       12.14326  425.8555       12.65072  -3.900940      4.292731  
1 1 1 -14 16 6  o 196.9366 2.072635  388.5802       8.163548  388.3212       11.53803  388.8398       11.55198  -0.1312256     4.145270  
1 1 1 -14 16 7  f 211.6747 2.223863  447.3431       9.384090  429.2405       12.67463  469.3052       13.96059  -9.418686      4.447726  
1 1 1 -14 16 8  o 29.24883 0.5896396 8.514740       0.3438938 9.088524       0.5110996 8.040079       0.4648606 1.791853       1.179279  
1 1 1 -14 16 9  o 157.9342 1.679257  249.6444       5.302406  246.0130       7.383165  253.5124       7.619907  -2.367920      3.358513  
1 1 1 -14 16 10 o 48.75724 0.6778760 23.67359       0.6593067 25.21814       0.9764737 22.37951       0.8938025 2.910080       1.355752  
1 1 1 -14 16 11 o 252.7491 2.646889  640.8646       13.37978  642.8017       18.98304  638.9523       18.86129  0.7562714      5.293778  
1 1 1 -14 16 12 o 134.7095 1.448101  181.3662       3.896594  176.4137       5.352400  186.9509       5.683746  -3.903168      2.896202  
1 1 1 -14 16 13 o 36.28190 0.6254671 13.05506       0.4518211 14.40572       0.6791279 11.98249       0.6051880 3.338673       1.250934  
1 1 1 -14 16 14 o 213.7747 2.725809  463.4686       11.21655  440.5099       18.32784  477.2166       14.18269  -8.781937      5.451618  
1 1 1 -14 16 15 o 124.7968 1.892042  155.1756       4.700648  164.6686       7.066001  147.6391       6.295889  6.795647       3.784084  
1 1 1 -14 16 16 o 225.9106 3.355767  512.4918       15.13355  531.0483       22.23156  496.4677       20.65899  7.547943       6.711534  
1 1 1 -14 16 17 o 170.1443 2.543452  290.0549       8.640595  299.9600       12.66519  281.4305       11.81804  5.399246       5.086905  
1 1 1 -14 16 18 o 129.3501 1.686107  169.2973       4.200608  174.1609       5.313597  161.1929       6.859131  5.070358       3.372215  
1 1 1 -14 16 19 f 83.97064 0.9670019 70.23660       1.618310  66.98982       2.181304  74.21156       2.413551  -4.294876      1.934004  
1 1 1 -14 16 20 o 208.0621 2.192507  434.2925       9.122108  430.3004       12.76605  438.4574       13.03951  -1.945251      4.385014  
1 1 1 -14 16 21 o 111.9452 1.229814  124.5620       2.737865  133.6554       4.146045  117.5303       3.645856  7.185501       2.459627  
1 1 1 -14 16 22 o 120.4153 1.310596  145.2003       3.156193  144.3826       4.439969  146.0356       4.487471  -0.6845169     2.621191  
1 1 1 -14 16 23 o 48.66267 0.6923503 23.56774       0.6716701 25.21484       1.000106  22.21441       0.9065412 3.080811       1.384701  
1 1 1 -14 16 24 o 59.97498 0.7696178 35.76169       0.9194558 33.55122       1.234572  38.51480       1.377800  -4.134342      1.539236  
1 1 1 -14 16 25 o 89.74101 1.019802  80.61450       1.830307  80.92611       2.600421  80.30856       2.576632  0.3432388      2.039605  
1 1 1 -14 16 26 f 55.37606 0.7357959 30.66067       0.8146029 29.81272       1.133559  31.56620       1.171419  -1.582172      1.471592  
1 1 1 -14 16 27 o 65.17843 0.8093475 42.45964       1.053891  43.67296       1.534045  41.37513       1.450328  1.759796       1.618695  
1 1 1 -14 16 28 o 70.20883 0.8533928 49.30867       1.197715  50.23929       1.726918  48.44611       1.662565  1.274559       1.706786  
1 1 1 -14 16 29 o 69.39589 0.8490143 48.20215       1.178235  48.32523       1.679631  48.08290       1.653234  0.1735458      1.698029  
1 1 1 -14 16 30 o 90.24983 1.035358  80.88197       1.856483  87.41136       2.828158  75.93818       2.460912  6.337349       2.070716  
1 1 1 -14 16 31 o 31.29220 0.6712952 9.812533       0.4195022 9.443677       0.6022724 10.16012       0.5846515 -1.145395      1.342590  
1 1 1 -14 16 32 o 51.32747 0.7239795 25.97515       0.7362009 29.22260       1.140789  23.65744       0.9637493 5.414185       1.447959  
1 1 1 -14 16 33 o 64.64147 0.8174335 41.83221       1.056772  41.46636       1.494391  42.19817       1.494613  -0.5660400     1.634867  
1 1 1 -14 16 34 o 45.94551 0.7037265 21.09136       0.6459717 19.82701       0.8939052 22.47325       0.9345323 -2.877857      1.407453  
1 1 1 -14 16 35 o 22.74659 0.7509663 5.048712       0.3372731 6.213691       0.5269041 4.240046       0.4389925 4.333694       1.501933  
1 1 1 -14 16 36 f 78.71225 0.9374221 62.06889       1.475693  61.78244       2.091379  62.35293       2.082538  -0.3629837     1.874844  
1 1 1 -14 16 37 o 75.94772 0.9181535 57.51519       1.390580  54.29118       1.880863  61.40208       2.065191  -4.667747      1.836307  
1 1 1 -14 16 38 o 16.85452 0.9820213 2.833748       0.3247455 2.916857       0.5149726 2.778877       0.4184314 0.4011707      1.964043  
1 1 1 -14 16 39 o 35.56014 1.046598  12.62628       0.7398915 10.80681       1.012897  14.70780       1.083385  -5.478062      2.093197  
1 1 1 -14 16 40 o 16.03252 1.041396  2.546022       0.3278592 2.745169       0.5233096 2.417346       0.4206491 1.011261       2.082792  
1 1 1 -14 16 41 f 57.61377 0.7952042 33.23800       0.9159179 31.94104       1.279679  34.60030       1.311515  -2.305107      1.590408  
1 1 1 -14 16 42 f 64.39903 0.8463522 41.49751       1.088223  42.74997       1.594954  40.40663       1.488513  1.808922       1.692704  
1 1 1 -14 16 43 o 85.86261 1.020251  73.97993       1.751492  74.59344       2.512491  73.39992       2.442941  0.6861343      2.040501  
1 1 1 -14 16 44 o 16.23360 1.095863  2.594039       0.3497166 2.930164       0.5597903 2.378882       0.4478710 1.681534       2.191726  
1 1 1 -14 16 45 o 46.48785 0.7627134 21.63526       0.7071390 21.98045       1.043515  21.34215       0.9615921 0.6779289      1.525427  
1 1 1 -14 16 46 o 56.95588 0.8139139 32.43766       0.9246115 33.69897       1.368587  31.37856       1.254098  2.023430       1.627828  
1 1 1 -14 16 47 o 50.12337 0.7947468 25.16073       0.7945992 25.60084       1.171435  24.78566       1.081421  0.8023300      1.589494  
1 1 1 -14 16 48 o 58.97119 0.8403268 34.88661       0.9903336 35.08517       1.430796  34.70399       1.372132  0.3147926      1.680654  
1 1 1 -14 16 49 f 25.19337 0.9195493 6.194501       0.4565274 7.537046       0.7239547 5.308168       0.5882279 4.401512       1.839099  
1 1 1 -14 16 50 o 47.89828 1.062432  22.22307       0.9672436 25.78771       1.700026  20.51682       1.176171  5.401421       2.124863  
1 1 1 -14 16 51 o 8.615843 2.206600  0.1870230      0.5219533 1.401165       0.9209022 -0.3876128     0.6335416 5.998921       4.413201  
1 1 1 -14 16 52 o 10.42459 2.186917  1.179322       0.5471699 0.1516995      0.9382840 1.708882       0.6735582 -4.545592      4.373834  
1 1 1 -14 16 53 o 30.87361 1.268476  9.648619       0.7714392 9.506097       1.194391  9.750630       1.010485  -0.4475708     2.536952  
1 1 1 -14 16 54 o 42.99914 1.178151  18.69737       1.007781  18.20931       1.493439  19.10543       1.365566  -1.076313      2.356302  
1 1 1 -14 16 55 f 39.33977 2.149419  0.000000       0.000000  ?              ?         15.72855       1.691153  ?              ?         
1 1 1 -14 16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 17 1  o 95.26620 1.061062  90.74448       2.020448  92.82457       2.919358  88.83219       2.799124  2.092690       2.122124  
1 1 1 -14 17 2  o 24.30275 0.5890548 5.523435       0.2744050 8.487553       0.4520119 3.793484       0.3453179 9.656212       1.178110  
1 1 1 -14 17 3  o 183.4369 1.937912  337.1939       7.109455  338.9603       10.10428  335.4620       10.00503  0.9496613      3.875823  
1 1 1 -14 17 4  f 40.90901 0.6131430 16.62327       0.4998334 18.18004       0.7463841 15.35744       0.6730349 3.448971       1.226286  
1 1 1 -14 17 5  o 74.73260 0.8735033 55.73178       1.303197  58.12737       1.914557  53.66362       1.778908  2.984169       1.747007  
1 1 1 -14 17 6  o 129.5467 1.394969  167.9997       3.614203  168.6257       5.130390  167.3829       5.092333  0.4786224      2.789938  
1 1 1 -14 17 7  o 142.7600 1.527074  203.7969       4.355371  209.6098       6.339289  198.5999       5.994051  3.845749       3.054147  
1 1 1 -14 17 8  o 79.01506 0.9144012 62.20705       1.440745  59.32862       1.948591  65.67825       2.139855  -4.014511      1.828802  
1 1 1 -14 17 9  o 168.9338 1.790538  285.6518       6.045003  292.1405       8.756567  279.7440       8.355390  3.654526       3.581075  
1 1 1 -14 17 10 o 52.13657 0.7483365 27.27057       0.7759721 26.36629       1.149097  28.02861       1.052089  -1.595699      1.496673  
1 1 1 -14 17 11 o 63.16062 1.339128  40.42460       1.652192  37.47313       2.580287  42.47564       2.150972  -3.972202      2.678257  
1 1 1 -14 17 12 o 88.10168 1.380681  77.57867       2.429340  80.05952       3.550986  75.39597       3.330787  2.640060       2.761362  
1 1 1 -14 17 13 o 26.45045 0.7692459 7.000093       0.4050539 6.133814       0.5642790 7.920965       0.5817877 -3.378000      1.538492  
1 1 1 -14 17 14 o 211.7109 2.737973  447.3951       10.82985  442.0687       13.11362  458.8198       19.20553  -3.578323      5.475946  
1 1 1 -14 17 15 o 193.3738 2.041314  374.9155       7.893603  378.6530       11.27837  371.3269       11.05157  1.883286       4.082628  
1 1 1 -14 17 16 o 21.72844 0.6753045 4.735807       0.2926299 4.396415       0.4184039 5.060788       0.4094245 -1.528959      1.350609  
1 1 1 -14 17 17 o 209.5007 2.206762  440.3838       9.244234  445.6693       13.24428  435.3626       12.90881  2.440292       4.413525  
1 1 1 -14 17 18 o 156.1667 1.665843  243.9548       5.194538  236.7267       7.107895  252.2404       7.610169  -4.943344      3.331686  
1 1 1 -14 17 19 o 86.61354 0.9886220 74.77442       1.707271  78.85347       2.537964  71.40292       2.307369  4.294121       1.977244  
1 1 1 -14 17 20 o 140.4513 1.508991  197.6470       4.238283  195.9925       5.938910  199.3642       6.050318  -1.194870      3.017982  
1 1 1 -14 17 21 o 92.24323 1.041361  85.14321       1.920607  86.43994       2.756709  83.92006       2.677326  1.363136       2.082721  
1 1 1 -14 17 22 o 139.9461 1.504682  195.9705       4.206015  190.5756       5.774216  202.0685       6.138929  -4.087326      3.009365  
1 1 1 -14 17 23 o 38.98769 0.6450201 15.13758       0.5015125 16.10987       0.7445552 14.33009       0.6785262 2.280930       1.290040  
1 1 1 -14 17 24 o 141.3859 1.520282  199.9894       4.291181  193.4735       5.860991  207.5182       6.300063  -4.939514      3.040564  
1 1 1 -14 17 25 o 130.5217 1.413826  170.5611       3.686718  175.3622       5.365464  166.2669       5.074321  3.466034       2.827651  
1 1 1 -14 17 26 o 84.39981 0.9754539 71.27627       1.645916  69.80207       2.288803  72.85506       2.368603  -1.805115      1.950908  
1 1 1 -14 17 27 o 65.15237 0.8146622 42.36182       1.059429  44.39603       1.559395  40.61803       1.443792  2.894901       1.629324  
1 1 1 -14 17 28 o 66.34189 0.8313180 43.94547       1.101381  42.09547       1.508038  46.06030       1.612367  -2.983833      1.662636  
1 1 1 -14 17 29 o 74.30490 0.8942352 54.49292       1.316300  49.90028       1.722921  60.93194       2.040066  -7.408211      1.788470  
1 1 1 -14 17 30 o 30.99058 0.6631155 9.598101       0.4100052 9.783910       0.6037066 9.439027       0.5585880 0.5547981      1.326231  
1 1 1 -14 17 31 o 20.26730 0.8069717 4.196183       0.3166333 2.981372       0.4466385 5.423572       0.4489448 -6.024872      1.613943  
1 1 1 -14 17 32 o 82.18695 0.9615873 67.65653       1.580497  67.95448       2.249906  67.36626       2.220702  0.3560486      1.923175  
1 1 1 -14 17 33 o 43.69836 0.6961358 18.84057       0.6032242 21.24219       0.9302369 17.09787       0.7924168 4.735233       1.392272  
1 1 1 -14 17 34 o 29.42203 0.7007617 8.434420       0.4067894 10.29624       0.6403044 7.174403       0.5267518 5.299673       1.401523  
1 1 1 -14 17 35 o 57.59344 0.7747309 33.21769       0.8922805 32.83081       1.266589  33.59886       1.257214  -0.6673508     1.549462  
1 1 1 -14 17 36 o 25.28470 0.7425591 6.362814       0.3739678 6.819277       0.5606654 5.996974       0.5019356 1.622433       1.485118  
1 1 1 -14 17 37 o 54.54765 0.7629584 29.80593       0.8320629 29.47139       1.188436  30.12758       1.165333  -0.6030731     1.525917  
1 1 1 -14 17 38 o 15.04306 1.778568  2.498583       0.4903439 1.396400       0.7190077 3.456891       0.6704391 -7.013612      3.557135  
1 1 1 -14 17 39 f 33.98161 0.7276926 11.50621       0.4910973 12.04819       0.7466949 11.09306       0.6519412 1.398121       1.455385  
1 1 1 -14 17 40 o 8.094139 1.729277  0.6480843      0.2975294 0.7626843      0.4796878 0.5764282      0.3793086 1.091864       3.458554  
1 1 1 -14 17 41 o 12.96687 1.240826  1.646627       0.3175885 2.038833       0.4959702 1.374041       0.4134765 2.551258       2.481651  
1 1 1 -14 17 42 o 39.92317 0.7372458 15.97357       0.5875074 14.68558       0.8236073 17.30795       0.8383098 -3.282890      1.474492  
1 1 1 -14 17 43 o 29.58013 0.7926723 8.844805       0.4630049 7.233286       0.6548526 10.45569       0.6547232 -5.446918      1.585345  
1 1 1 -14 17 44 o 73.93948 0.9275777 54.80597       1.371069  52.94969       1.906216  56.79561       1.973503  -2.592026      1.855155  
1 1 1 -14 17 45 f 13.87597 1.440098  2.152941       0.3549576 1.331744       0.5511622 2.734917       0.4639900 -5.255881      2.880197  
1 1 1 -14 17 46 o 23.75050 0.9069526 5.741494       0.4241582 5.063324       0.6337429 6.291781       0.5708720 -2.594873      1.813905  
1 1 1 -14 17 47 o 54.34928 1.001801  30.51377       1.037716  26.69869       1.690671  32.81982       1.314446  -5.694687      2.003602  
1 1 1 -14 17 48 o 14.08895 1.895535  2.020773       0.5008138 2.356223       0.8307066 1.829233       0.6277167 1.739474       3.791070  
1 1 1 -14 17 49 o 40.84834 1.112468  16.89229       0.9009686 15.91068       1.342415  17.69688       1.215362  -2.212025      2.224936  
1 1 1 -14 17 50 o 23.53207 1.147325  5.474139       0.5348018 6.581719       0.8209789 4.657677       0.7048758 4.061850       2.294651  
1 1 1 -14 17 51 o 22.87414 1.439573  5.297629       0.6382594 5.288977       1.038441  5.302882       0.8091384 -0.9840775E-01 2.879146  
1 1 1 -14 17 52 o 17.51329 1.752325  3.159995       0.5887797 3.000272       0.9675278 3.253930       0.7419821 -0.8105297     3.504650  
1 1 1 -14 17 53 f 29.37272 1.319467  8.753667       0.7571164 8.584385       1.200907  8.865337       0.9753805 -0.5456562     2.638933  
1 1 1 -14 17 54 o 53.47517 1.223865  28.41856       1.286090  31.40808       2.055444  26.49516       1.648698  4.469578       2.447730  
1 1 1 -14 17 55 o 40.95404 2.941212  17.27279       2.409091  17.27279       2.409091  ?              ?         ?              ?         
1 1 1 -14 18 1  o 105.8481 1.684773  111.9431       3.558907  117.1714       5.246266  107.4860       4.843891  4.557198       3.369545  
1 1 1 -14 18 2  o 144.3360 1.920384  205.6663       5.091163  217.0174       9.379219  200.9246       6.061966  5.412888       3.840768  
1 1 1 -14 18 3  o 64.52640 0.7859484 41.39051       1.009935  38.95269       1.353969  44.44794       1.516306  -4.254906      1.571897  
1 1 1 -14 18 4  o 55.10818 0.7120071 30.11110       0.7804398 32.93851       1.181877  27.92494       1.039246  4.546303       1.424014  
1 1 1 -14 18 5  o 125.1279 1.353014  155.8363       3.369514  147.9043       4.506130  165.8966       5.074826  -7.170471      2.706029  
1 1 1 -14 18 6  o 82.40157 0.9447021 67.93287       1.556724  68.56207       2.221715  67.32602       2.181905  0.7490845      1.889404  
1 1 1 -14 18 7  o 85.27599 1.156446  73.76612       1.921593  68.11226       3.018605  77.61835       2.491666  -5.588676      2.312891  
1 1 1 -14 18 8  o 107.8956 1.648841  116.0541       3.544059  110.4532       4.764180  122.9939       5.303140  -5.789192      3.297682  
1 1 1 -14 18 9  o 79.23631 1.259035  62.85212       1.995033  63.08501       2.843477  62.62633       2.799833  0.2880402      2.518069  
1 1 1 -14 18 10 o 75.23891 1.473630  57.66652       2.153542  61.31968       2.787493  52.25769       3.391800  6.044907       2.947259  
1 1 1 -14 18 11 o 91.46930 1.241657  83.84904       2.162328  84.04377       2.677343  83.48372       3.666975  0.3384781      2.483314  
1 1 1 -14 18 12 o 65.56783 0.8070586 42.99183       1.058039  43.90519       1.518686  42.13042       1.474862  1.352409       1.614117  
1 1 1 -14 18 13 o 97.21082 1.089175  94.38366       2.113838  91.32965       2.887925  97.90822       3.102426  -3.376968      2.178349  
1 1 1 -14 18 14 f 44.06209 0.6588224 18.91955       0.5724427 22.64174       0.9062842 16.44876       0.7383840 7.024246       1.317645  
1 1 1 -14 18 15 o 114.8251 1.255628  131.9160       2.881548  134.9833       4.169764  129.1122       3.986650  2.549377       2.511255  
1 1 1 -14 18 16 o 82.13151 0.9525145 67.48261       1.564117  66.42649       2.178538  68.60620       2.247044  -1.324844      1.905029  
1 1 1 -14 18 17 o 48.01468 0.6824045 23.04958       0.6550981 22.44137       0.9128012 23.69557       0.9407271 -1.305420      1.364809  
1 1 1 -14 18 18 o 54.39409 0.7218258 29.59243       0.7850166 29.96342       1.126934  29.24272       1.094154  0.6616821      1.443652  
1 1 1 -14 18 19 o 87.36438 0.9978560 76.24329       1.740923  73.68912       2.384107  79.16105       2.548146  -3.125938      1.995712  
1 1 1 -14 18 20 o 65.36380 0.8103855 42.75244       1.059375  42.52364       1.492245  42.98492       1.504191  -0.3524933     1.620771  
1 1 1 -14 18 21 o 92.16995 1.043409  85.00123       1.922427  83.31945       2.667339  86.81916       2.773194  -1.893982      2.086817  
1 1 1 -14 18 22 o 75.45264 0.8940430 56.97853       1.348964  57.48334       1.927245  56.49367       1.888782  0.6543121      1.788086  
1 1 1 -14 18 23 o 74.88525 0.8902005 56.05568       1.332085  54.31761       1.837306  57.98175       1.934127  -2.442612      1.780401  
1 1 1 -14 18 24 o 92.98495 1.053284  86.57525       1.958605  85.70274       2.746841  87.47768       2.793521  -0.9521408     2.106568  
1 1 1 -14 18 25 o 53.89867 0.7371690 28.31045       0.7824668 24.88403       1.004923  33.58649       1.247000  -8.064304      1.474338  
1 1 1 -14 18 26 o 33.57814 0.8495147 11.00753       0.5628267 13.10727       0.8888761 9.602279       0.7271690 5.212107       1.699029  
1 1 1 -14 18 27 o 19.90744 0.7566357 3.989244       0.2994804 3.669038       0.4359056 4.275500       0.4121506 -1.524164      1.513271  
1 1 1 -14 18 28 o 67.14713 0.8325576 44.78505       1.112812  41.65580       1.488028  48.75597       1.676239  -5.278397      1.665115  
1 1 1 -14 18 29 o 53.35197 0.7355204 28.45169       0.7839423 29.24921       1.141618  27.74006       1.078405  1.411636       1.471041  
1 1 1 -14 18 30 o 30.32099 0.6908212 9.050736       0.4118698 6.968811       0.5484318 11.74381       0.6237547 -7.870777      1.381642  
1 1 1 -14 18 31 o 88.92415 1.022496  79.23536       1.818454  78.68229       2.562001  79.79688       2.581473  -0.6253128     2.044991  
1 1 1 -14 18 32 o 42.11270 0.6901780 17.74258       0.5807582 16.69293       0.8118468 18.84267       0.8311248 -2.551434      1.380356  
1 1 1 -14 18 33 o 35.42500 0.6883063 12.54679       0.4864010 11.33607       0.6754552 13.85085       0.7010059 -3.548119      1.376613  
1 1 1 -14 18 34 f 47.41658 0.7210584 22.41149       0.6822377 20.62034       0.9315339 24.48375       1.001972  -4.069702      1.442117  
1 1 1 -14 18 35 o 15.90241 0.9551201 2.543675       0.3003470 2.471079       0.4570170 2.598865       0.3984835 -0.4066591     1.910240  
1 1 1 -14 18 36 o 19.55657 0.8521014 3.799497       0.3291901 4.033793       0.5132377 3.635742       0.4290757 1.010790       1.704203  
1 1 1 -14 18 37 o 20.98079 0.8403162 4.405465       0.3485810 4.447974       0.5361390 4.374338       0.4587863 0.1687450      1.680632  
1 1 1 -14 18 38 o 78.22354 0.9459766 61.35221       1.479666  61.50015       2.114630  61.21029       2.071175  0.1808701      1.891953  
1 1 1 -14 18 39 o 56.27557 0.7884465 31.73739       0.8870285 31.58671       1.271484  31.88025       1.238079  -0.2638321     1.576893  
1 1 1 -14 18 40 o 33.28335 0.7306277 10.98919       0.4821693 11.90297       0.7422276 10.32201       0.6342205 2.365295       1.461255  
1 1 1 -14 18 41 o 25.87198 0.8107167 6.762347       0.4145161 6.323326       0.6246077 7.107882       0.5541289 -1.523689      1.621433  
1 1 1 -14 18 42 o 37.19290 0.7501481 13.91370       0.5554981 13.20789       0.8122346 14.53394       0.7614119 -1.787842      1.500296  
1 1 1 -14 18 43 o 29.54440 0.7880226 8.779866       0.4632562 8.419009       0.6823266 9.088446       0.6309696 -1.138689      1.576045  
1 1 1 -14 18 44 o 26.70129 0.8960232 7.045505       0.4630896 7.573373       0.7693515 6.745591       0.5799096 1.525244       1.792046  
1 1 1 -14 18 45 o 33.87443 1.058344  11.45363       0.7063872 11.98180       1.108499  11.09251       0.9166000 1.280312       2.116687  
1 1 1 -14 18 46 o 18.22071 1.622972  3.049537       0.5183090 5.894650       0.8898929 1.588857       0.6376254 11.91450       3.245944  
1 1 1 -14 18 47 o 13.49583 1.545561  1.952151       0.3864078 1.571714       0.6142528 2.201294       0.4970841 -2.577691      3.091121  
1 1 1 -14 18 48 o 38.50260 0.8607383 14.71740       0.6585900 13.46360       0.8732210 16.37150       1.002976  -3.755581      1.721477  
1 1 1 -14 18 49 f 39.26707 0.9408474 15.34904       0.7339030 16.73236       1.119624  14.30689       0.9717950 3.060783       1.881695  
1 1 1 -14 18 50 o 30.65728 1.068825  9.463130       0.6553131 9.481080       0.9227024 9.444860       0.9308566 0.6091881E-01  2.137649  
1 1 1 -14 18 51 o 31.66694 1.217553  9.862445       0.7488791 11.18519       1.244377  9.111347       0.9376944 3.191908       2.435106  
1 1 1 -14 18 52 o 25.78944 1.353145  6.776993       0.6784291 6.520851       1.084549  6.941653       0.8695670 -0.8818932     2.706290  
1 1 1 -14 18 53 o 31.42001 1.240624  9.867435       0.7645631 10.54103       1.222481  9.434691       0.9798462 1.685326       2.481249  
1 1 1 -14 18 54 o 23.39441 2.423762  5.467742       1.106064  6.768354       1.828639  4.717398       1.388943  4.122637       4.847525  
1 1 1 -14 19 1  o 144.3683 1.546335  208.7400       4.462172  213.1429       6.445701  204.6881       6.183397  2.914612       3.092670  
1 1 1 -14 19 2  o 112.2588 1.228589  125.9420       2.754017  130.5663       4.034260  121.9063       3.768812  3.846329       2.457179  
1 1 1 -14 19 3  o 115.5043 1.565863  133.7390       3.389240  133.7790       4.126952  133.6562       5.940042  0.1453171      3.131727  
1 1 1 -14 19 4  o 64.59879 2.501178  0.000000       0.000000  ?              ?         41.85109       3.231461  ?              ?         
1 1 1 -14 19 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 19 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 19 7  o 61.37511 1.103466  37.52489       1.349135  33.13134       1.843838  42.58765       1.979285  -7.698826      2.206933  
1 1 1 -14 19 8  o 43.95254 0.6479183 19.31878       0.5694293 19.87759       0.8134223 18.78175       0.7974059 1.246273       1.295837  
1 1 1 -14 19 9  o 17.15964 0.6952565 2.963228       0.2372039 2.688053       0.3430004 3.215460       0.3283904 -1.537102      1.390513  
1 1 1 -14 19 10 o 63.65285 0.7885708 40.49001       1.003078  41.75797       1.454885  39.34121       1.384839  1.896557       1.577142  
1 1 1 -14 19 11 o 37.36366 0.6300753 13.59653       0.4645737 11.45014       0.6030171 16.73082       0.7286949 -7.063946      1.260151  
1 1 1 -14 19 12 o 156.6400 1.672591  245.9627       5.238812  243.4511       7.320995  248.5984       7.499839  -1.632919      3.345183  
1 1 1 -14 19 13 o 101.1741 1.125652  102.4853       2.277694  102.8631       3.233118  102.1131       3.209307  0.3697281      2.251304  
1 1 1 -14 19 14 f 48.01235 0.6776223 23.04028       0.6501958 23.60496       0.9417855 22.52603       0.8987545 1.122574       1.355245  
1 1 1 -14 19 15 o 10.63624 1.047195  1.121483       0.2131106 1.498530       0.3269074 0.8428280      0.2810352 3.199172       2.094389  
1 1 1 -14 19 16 o 61.93713 0.7793338 38.27473       0.9635929 40.19867       1.416633  36.61811       1.314540  2.887402       1.558668  
1 1 1 -14 19 17 f 22.64147 0.6741394 5.036643       0.3016953 6.271069       0.4595649 4.101731       0.3999445 4.788982       1.348279  
1 1 1 -14 19 18 o 123.1532 1.341805  151.7929       3.301324  156.2767       4.806309  147.7879       4.542414  3.431023       2.683610  
1 1 1 -14 19 19 o 170.2336 1.812959  290.9879       6.172346  292.3310       8.769834  289.6693       8.688762  0.7752075      3.625917  
1 1 1 -14 19 20 o 55.50335 0.7383580 30.64451       0.8165968 32.94183       1.220742  28.78399       1.098579  3.741470       1.476716  
1 1 1 -14 19 21 o 87.70298 1.005296  76.97806       1.762645  78.47479       2.536670  75.58067       2.451048  1.645935       2.010592  
1 1 1 -14 19 22 o 40.01913 0.6637817 15.21884       0.5174502 20.11933       0.8559138 12.39605       0.6496057 9.642811       1.327563  
1 1 1 -14 19 23 o 82.97265 1.334095  68.89658       2.211258  66.57236       3.038414  71.51378       3.224235  -2.965134      2.668190  
1 1 1 -14 19 24 o 45.11309 0.7320444 20.04405       0.6518779 18.49793       0.8441033 22.32879       1.026109  -4.238777      1.464089  
1 1 1 -14 19 25 o 100.1993 1.123612  100.5757       2.251423  99.49329       3.153861  101.7006       3.215005  -1.097717      2.247224  
1 1 1 -14 19 26 f 34.29225 0.6635352 11.71476       0.4535082 12.38246       0.6761764 11.16884       0.6114169 1.767109       1.327070  
1 1 1 -14 19 27 o 31.71964 0.6689053 10.08694       0.4235014 9.430953       0.6024229 10.72789       0.5954804 -2.044649      1.337811  
1 1 1 -14 19 28 f 8.148558 1.500138  0.6958089      0.2453055 0.6444044      0.3811935 0.7321430      0.3204808 -0.4531364     3.000277  
1 1 1 -14 19 29 o 78.40106 0.9308937 60.61200       1.442894  67.80986       2.257142  55.63795       1.876343  7.737663       1.861787  
1 1 1 -14 19 30 o 87.79031 1.014246  77.22633       1.780736  77.48684       2.532369  76.97153       2.504544  0.2915039      2.028492  
1 1 1 -14 19 31 o 40.33046 0.7044834 15.74560       0.5583689 12.63331       0.7214536 20.39460       0.8817555 -9.613556      1.408967  
1 1 1 -14 19 32 f 86.76768 1.010310  75.32816       1.751152  72.78050       2.405780  78.19906       2.553855  -3.110123      2.020620  
1 1 1 -14 19 33 o 65.30529 0.8315289 42.72173       1.085995  42.58243       1.543149  42.85842       1.528612  -0.2123566     1.663058  
1 1 1 -14 19 34 o 55.92957 0.7676144 31.01893       0.8531281 34.05466       1.299599  28.72008       1.130922  4.756760       1.535229  
1 1 1 -14 19 35 o 46.02648 0.7205179 21.21368       0.6629372 20.32233       0.9312014 22.12969       0.9439991 -1.962444      1.441036  
1 1 1 -14 19 36 o 39.44835 0.7250607 15.48644       0.5686733 13.28609       0.7738616 18.06952       0.8384690 -6.057957      1.450121  
1 1 1 -14 19 37 o 45.81945 0.7368878 21.01365       0.6746539 21.40048       0.9787942 20.66352       0.9311939 0.8002548      1.473776  
1 1 1 -14 19 38 o 35.16665 0.7278806 12.15467       0.5066594 14.11829       0.7883600 10.77294       0.6613156 4.745350       1.455761  
1 1 1 -14 19 39 o 20.18080 0.9100999 4.100791       0.3610217 3.995818       0.5614316 4.174798       0.4714095 -0.4538536     1.820200  
1 1 1 -14 19 40 o 39.17968 0.7385602 15.41252       0.5773678 14.83571       0.8358704 15.93886       0.7984568 -1.411526      1.477120  
1 1 1 -14 19 41 o 60.81311 0.8313938 37.09283       1.010885  36.22118       1.434346  37.95305       1.424914  -1.425018      1.662788  
1 1 1 -14 19 42 o 12.65543 1.812013  1.509300       0.4488756 2.659933       0.7393584 0.8376142      0.5648976 7.134636       3.624027  
1 1 1 -14 19 43 o 30.76484 1.075459  9.525822       0.6543622 9.410189       0.9996338 9.612522       0.8655886 -0.3503571     2.150919  
1 1 1 -14 19 44 o 35.90877 0.9115089 12.95102       0.6444396 12.98050       0.8411251 12.90912       1.002792  0.1238060      1.823018  
1 1 1 -14 19 45 o 30.98912 0.8135291 9.554207       0.4995139 10.20481       0.7700394 9.081544       0.6563432 1.796072       1.627058  
1 1 1 -14 19 46 o 47.31806 0.7940689 22.41893       0.7491455 22.97306       1.109537  21.95467       1.015589  1.062855       1.588138  
1 1 1 -14 19 47 o 45.15383 0.8745609 20.35837       0.7842991 19.56577       1.040906  21.39935       1.192898  -2.005226      1.749122  
1 1 1 -14 19 48 f 72.00687 1.019712  52.00266       1.451953  51.16938       1.908036  53.14899       2.237938  -1.307610      2.039424  
1 1 1 -14 19 49 f 7.114351 2.017556  0.1309905      0.4714662 -0.3854344     0.6828793 0.6013615      0.6517194 -2.470656      4.035112  
1 1 1 -14 19 50 o 55.13590 1.197030  30.73097       1.317064  29.48114       1.901402  31.88377       1.826099  -2.198647      2.394061  
1 1 1 -14 19 51 o 52.99260 1.182779  28.30239       1.247440  28.71237       1.864204  27.96996       1.678643  0.6496277      2.365557  
1 1 1 -14 19 52 o 57.73077 1.220531  33.74849       1.406340  32.17146       2.021717  35.22703       1.957564  -2.666107      2.441063  
1 1 1 -14 19 53 o 18.07054 3.837116  0.000000       0.000000  ?              ?         3.549040       1.344896  ?              ?         
1 1 1 -14 20 1  o 95.36337 1.469000  91.00818       2.797776  88.18269       3.834872  94.22341       4.090824  -3.151207      2.938000  
1 1 1 -14 20 2  o 78.31640 1.235605  60.47858       1.911861  67.52294       2.998759  55.65433       2.481621  7.550705       2.471210  
1 1 1 -14 20 3  o 84.13588 1.315645  70.86639       2.212458  69.23090       3.063338  72.64974       3.198833  -2.024452      2.631290  
1 1 1 -14 20 4  o 52.13663 0.8073662 27.11403       0.8125362 26.86857       1.020798  27.53846       1.342323  -0.6320572     1.614732  
1 1 1 -14 20 5  o 119.5730 1.302696  143.2054       3.114611  145.2553       4.463841  141.2605       4.347898  1.664421       2.605391  
1 1 1 -14 20 6  o 51.30499 0.6910444 26.33596       0.7090752 26.47893       1.004221  26.19379       1.001352  0.2778053      1.382089  
1 1 1 -14 20 7  f 77.08459 1.193824  59.54275       1.795987  59.39352       2.871218  59.63866       2.301919  -0.1859970     2.387648  
1 1 1 -14 20 8  o 63.45963 1.013194  39.36267       1.153118  38.21775       1.348557  42.47641       2.223934  -3.320240      2.026387  
1 1 1 -14 20 9  o 111.2760 1.760983  124.2542       3.918606  123.3925       5.490764  125.1486       5.594175  -0.7816467     3.521966  
1 1 1 -14 20 10 o 39.41969 1.033777  15.11296       0.8031523 18.96090       1.261879  12.49271       1.041299  8.194733       2.067553  
1 1 1 -14 20 11 o 115.7388 1.823762  134.4575       4.220851  136.3422       6.039036  132.6576       5.901702  1.581047       3.647524  
1 1 1 -14 20 12 f 86.03989 1.214401  75.61652       2.020420  67.95336       3.210547  80.64128       2.599758  -7.405083      2.428802  
1 1 1 -14 20 13 f 56.27549 0.9482998 31.69895       0.9812899 31.72043       1.781739  31.68961       1.175660  0.2426147E-02  1.896600  
1 1 1 -14 20 14 o 91.72992 1.043646  83.19100       1.896200  77.06159       2.482186  91.78086       2.938448  -8.001762      2.087292  
1 1 1 -14 20 15 o 45.15453 0.6783571 20.37430       0.6121721 19.69005       0.8462903 21.12529       0.8866000 -1.588009      1.356714  
1 1 1 -14 20 16 o 72.83161 0.8725626 52.76976       1.265462  56.50850       1.900540  49.79203       1.696121  4.602722       1.745125  
1 1 1 -14 20 17 o 55.97305 0.7383469 30.89343       0.8189383 34.74609       1.267627  28.13358       1.072887  5.900078       1.476694  
1 1 1 -14 20 18 o 46.51496 0.6806503 21.64914       0.6331280 21.71320       0.9032041 21.58726       0.8877524 0.1348648      1.361301  
1 1 1 -14 20 19 o 44.23298 0.6763123 19.10528       0.5902449 22.61703       0.9326198 16.75875       0.7623516 6.616280       1.352625  
1 1 1 -14 20 20 o 73.48006 1.208351  54.07610       1.775210  52.78970       2.472318  55.44522       2.550562  -1.802040      2.416702  
1 1 1 -14 20 21 o 76.77289 0.9138910 59.00124       1.402992  59.72601       2.007174  58.30882       1.961862  0.9207611      1.827782  
1 1 1 -14 20 22 o 81.48315 0.9538391 66.40825       1.553095  64.66125       2.143017  68.34090       2.254000  -2.252136      1.907678  
1 1 1 -14 20 23 o 52.43307 0.7294590 27.08532       0.7573875 30.58377       1.176540  24.60962       0.9897344 5.689259       1.458918  
1 1 1 -14 20 24 f 74.11503 0.8909711 54.90379       1.319157  53.01327       1.812988  57.03072       1.923008  -2.704453      1.781942  
1 1 1 -14 20 25 o 83.49279 0.9755045 69.65251       1.625867  72.62899       2.390115  67.08893       2.218148  3.306885       1.951009  
1 1 1 -14 20 26 f 126.1645 1.377183  159.1809       3.464750  152.5981       4.688024  167.1045       5.143364  -5.705406      2.754367  
1 1 1 -14 20 27 o 30.29448 0.6749919 9.169969       0.4067459 7.914857       0.5619308 10.55131       0.5895108 -4.350071      1.349984  
1 1 1 -14 20 28 o 34.25371 0.6725842 11.75900       0.4601729 11.22484       0.6565626 12.27476       0.6451529 -1.533123      1.345168  
1 1 1 -14 20 29 o 29.40672 0.6990736 8.569807       0.4083232 9.387646       0.6235603 7.955863       0.5402672 2.429873       1.398147  
1 1 1 -14 20 30 o 63.94794 0.8220690 40.47362       1.042851  44.70760       1.604075  37.37394       1.372486  5.718208       1.644138  
1 1 1 -14 20 31 o 62.42733 0.8115458 39.00907       1.012598  39.73194       1.463489  38.34518       1.402517  1.106346       1.623092  
1 1 1 -14 20 32 f 23.54824 0.7504141 5.522509       0.3521303 5.911572       0.5261391 5.206842       0.4739194 1.492619       1.500828  
1 1 1 -14 20 33 o 36.06379 0.7023621 13.03754       0.5060687 12.63277       0.7248435 13.42249       0.7068734 -1.096199      1.404724  
1 1 1 -14 20 34 o 34.03610 0.7153604 11.61343       0.4847282 10.21146       0.6777418 13.08158       0.6935499 -4.215094      1.430721  
1 1 1 -14 20 35 o 38.28571 0.7137740 14.37609       0.5403833 16.84905       0.8447397 12.66312       0.7030551 5.455444       1.427548  
1 1 1 -14 20 36 o 28.06282 0.8214654 7.889019       0.4603004 8.524255       0.6595781 7.285922       0.6426771 2.204720       1.642931  
1 1 1 -14 20 37 o 39.63112 0.7377405 15.72569       0.5827758 14.02547       0.8104571 17.54606       0.8386024 -4.439095      1.475481  
1 1 1 -14 20 38 o 35.07382 0.7517536 12.35945       0.5247191 11.98120       0.7750573 12.67951       0.7129561 -1.001698      1.503507  
1 1 1 -14 20 39 o 36.51376 0.9988315 13.44291       0.7261509 12.30219       1.044341  14.51062       1.010367  -3.028728      1.997663  
1 1 1 -14 20 40 f 58.81599 1.129669  34.78241       1.327353  34.54421       1.919694  35.00061       1.837336  -0.4013138     2.259337  
1 1 1 -14 20 41 o 5.031442 1.629668  -0.3761883     0.3728996 -0.3996072     0.5321019 -0.3535860     0.5227420 -0.3714180E-01 3.259336  
1 1 1 -14 20 42 o 56.80772 0.8133561 32.35282       0.9236556 30.96889       1.293067  33.79464       1.319837  -2.483685      1.626712  
1 1 1 -14 20 43 f 48.47191 0.7813890 23.48790       0.7546270 24.41693       1.125628  22.72949       1.017025  1.725937       1.562778  
1 1 1 -14 20 44 o 47.52583 0.7921495 22.65857       0.7518012 21.02853       1.053909  24.34743       1.072756  -3.489048      1.584299  
1 1 1 -14 20 45 o 47.52927 0.7905149 22.54573       0.7474129 23.74286       1.127621  21.60767       0.9981793 2.227665       1.581030  
1 1 1 -14 20 46 o 6.578246 1.880017  0.1456550      0.3939731 0.4124379      0.5628056 -0.1106895     0.5516851 1.628346       3.760034  
1 1 1 -14 20 47 o 23.61816 1.073653  5.585244       0.5057900 5.116389       0.6880632 6.136440       0.7460394 -2.146915      2.147307  
1 1 1 -14 20 48 o 7.342416 2.026369  0.3186085      0.4365228 0.1155260      0.6072495 0.5357681      0.6279434 -1.401570      4.052737  
1 1 1 -14 20 49 o 28.12000 1.162321  7.970858       0.6534629 8.103789       0.9391729 7.846110       0.9097991 0.4505997      2.324643  
1 1 1 -14 20 50 o 31.63527 1.193544  10.03193       0.7415183 10.47298       1.175662  9.740569       0.9555560 1.095655       2.387089  
1 1 1 -14 20 51 o 50.13213 1.194804  25.43614       1.192561  24.83410       1.760317  25.94685       1.621315  -1.151539      2.389608  
1 1 1 -14 20 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 21 1  o 47.75493 0.6734201 22.81931       0.6431807 22.87561       0.9109044 22.76334       0.9082910 0.1174660      1.346840  
1 1 1 -14 21 2  o 137.4478 1.480695  189.4777       4.070366  189.5952       5.757152  189.3603       5.755582  0.8532715E-01  2.961390  
1 1 1 -14 21 3  o 86.91057 0.9928670 75.58523       1.725042  77.20821       2.485210  74.07621       2.396371  1.797676       1.985734  
1 1 1 -14 21 4  o 107.8713 1.190738  116.5679       2.568711  117.5958       3.661788  115.5720       3.604306  0.9348297      2.381475  
1 1 1 -14 21 5  o 76.79678 0.9041014 58.92459       1.386521  57.05096       1.898538  61.06603       2.029699  -2.608528      1.808203  
1 1 1 -14 21 6  o 52.01527 1.097216  27.03703       1.140133  28.61931       1.658809  25.62025       1.569666  2.878292       2.194433  
1 1 1 -14 21 7  o 96.68237 1.085032  93.61005       2.097876  94.37499       2.991399  92.86973       2.942887  0.7759933      2.170064  
1 1 1 -14 21 8  o 164.1290 1.752949  269.4425       5.735231  258.4395       7.744013  282.8089       8.535282  -7.358521      3.505898  
1 1 1 -14 21 9  o 91.65495 1.038626  84.07870       1.903106  82.51934       2.645295  85.75171       2.739998  -1.758675      2.077251  
1 1 1 -14 21 10 o 62.74480 0.7877782 39.26960       0.9863207 37.54129       1.340760  41.30806       1.456104  -2.997311      1.575556  
1 1 1 -14 21 11 o 48.89758 0.6886951 23.76289       0.6707214 25.70440       1.006129  22.20994       0.8998335 3.569698       1.377390  
1 1 1 -14 21 12 o 14.95454 0.7976093 2.302535       0.2308790 1.686059       0.3337026 2.868597       0.3197674 -3.954305      1.595219  
1 1 1 -14 21 13 o 48.88284 0.6982754 23.90869       0.6826192 23.50096       0.9596862 24.32621       0.9711547 -0.8437080     1.396551  
1 1 1 -14 21 14 o 71.92760 1.675067  51.84066       2.409671  51.84066       2.409671  ?              ?         ?              ?         
1 1 1 -14 21 15 o 71.81934 1.686837  51.68849       2.422951  51.68849       2.422951  ?              ?         ?              ?         
1 1 1 -14 21 16 f 25.01723 1.152479  6.232315       0.5744582 5.548806       0.7810973 7.037566       0.8478104 -2.971388      2.304959  
1 1 1 -14 21 17 o 15.09661 1.542293  2.272549       0.4618823 2.716287       0.6812881 1.895124       0.6283224 2.715306       3.084587  
1 1 1 -14 21 18 f 36.50954 1.049760  13.35143       0.7664573 13.60287       1.088211  13.10390       1.079708  0.6828575      2.099520  
1 1 1 -14 21 19 o 10.74683 2.011400  1.198122       0.4523798 0.7984315      0.6396444 1.598105       0.6398789 -3.242332      4.022800  
1 1 1 -14 21 20 o 64.12775 1.025036  39.58133       1.172828  44.77519       2.304610  37.76608       1.362450  5.409489       2.050073  
1 1 1 -14 21 21 o 81.75975 1.043702  66.95967       1.683770  67.05888       2.603834  66.88837       2.207393  0.7884979E-01  2.087404  
1 1 1 -14 21 22 o 15.83699 1.000340  2.704425       0.2804437 1.284129       0.3949863 4.148276       0.3982483 -9.042397      2.000679  
1 1 1 -14 21 23 o 13.53819 0.9901320 1.913371       0.2570733 1.413479       0.3853638 2.314205       0.3450766 -3.329298      1.980264  
1 1 1 -14 21 24 o 14.90069 1.015022  2.379587       0.2747196 1.267211       0.3924055 3.448886       0.3847325 -7.321216      2.030044  
1 1 1 -14 21 25 o 33.45166 0.6711176 11.13878       0.4477287 12.08606       0.6638236 10.34823       0.6064296 2.594788       1.342235  
1 1 1 -14 21 26 o 29.96943 0.6854507 8.991337       0.4099377 8.983057       0.5999321 8.998589       0.5614576 -0.2793503E-01 1.370901  
1 1 1 -14 21 27 o 68.91193 0.8582807 47.38469       1.180270  44.86198       1.604845  50.35657       1.741869  -3.977043      1.716561  
1 1 1 -14 21 28 o 83.09841 0.9758811 69.12741       1.620592  67.17484       2.237956  71.28015       2.349864  -2.460831      1.951762  
1 1 1 -14 21 29 o 70.79105 0.8743957 50.14614       1.237043  48.56157       1.709059  51.88988       1.792832  -2.344170      1.748791  
1 1 1 -14 21 30 o 13.03910 1.079306  1.692844       0.2796737 1.815591       0.4251812 1.599232       0.3713070 0.8239412      2.158611  
1 1 1 -14 21 31 o 14.50499 1.036019  2.025695       0.2903444 2.956475       0.4593852 1.406570       0.3746644 5.333714       2.072039  
1 1 1 -14 21 32 o 18.58837 0.9039928 3.531879       0.3294473 2.962611       0.4893770 4.003692       0.4455225 -2.804495      1.807986  
1 1 1 -14 21 33 o 12.78763 1.330204  1.797660       0.3063837 1.115167       0.4615422 2.335353       0.4096657 -4.945023      2.660408  
1 1 1 -14 21 34 o 76.09052 0.9309577 58.03880       1.416154  58.94932       2.037987  57.18866       1.969268  1.149384       1.861915  
1 1 1 -14 21 35 o 24.87957 1.526894  5.875523       0.6906760 7.127722       1.332645  5.415644       0.8076057 3.340559       3.053789  
1 1 1 -14 21 36 o 64.15675 1.164408  41.31289       1.490832  42.20190       2.191414  40.54696       2.034076  1.265472       2.328817  
1 1 1 -14 21 37 o 23.27549 1.087384  5.388124       0.4990158 5.753696       0.7842546 5.139425       0.6468565 1.299246       2.174767  
1 1 1 -14 21 38 o 24.85476 0.9436305 6.143882       0.4661790 5.726193       0.6188431 6.691885       0.7088357 -1.930656      1.887261  
1 1 1 -14 21 39 o 26.37925 0.8152105 7.002954       0.4261662 6.779263       0.6421008 7.179073       0.5697460 -0.7664070     1.630421  
1 1 1 -14 21 40 o 20.60832 0.9436501 4.152295       0.3831538 4.937543       0.6093478 3.638794       0.4927563 3.134197       1.887300  
1 1 1 -14 21 41 o 15.43342 1.250423  2.558195       0.3602042 1.822948       0.5678279 3.053293       0.4659566 -4.006326      2.500846  
1 1 1 -14 21 42 o 60.58591 0.8484765 36.74261       1.026725  34.44316       1.413152  39.31357       1.494257  -4.007313      1.696953  
1 1 1 -14 21 43 o 21.32461 0.9906046 4.525759       0.4122150 4.766894       0.6674151 4.377045       0.5241334 0.8889561      1.981209  
1 1 1 -14 21 44 o 62.92702 0.8662652 39.65511       1.087417  41.09452       1.607134  38.43969       1.476799  2.088253       1.732530  
1 1 1 -14 21 45 o 10.84416 1.905802  1.250542       0.4144504 1.043942       0.5904853 1.451145       0.5818528 -1.744370      3.811604  
1 1 1 -14 21 46 f 20.07342 1.195872  4.057582       0.4797297 3.875217       0.6637113 4.257083       0.6941956 -0.9434605     2.391743  
1 1 1 -14 21 47 o 33.30366 0.9867162 11.11317       0.6484651 10.88580       0.8465899 11.43595       1.008699  -0.7905579     1.973432  
1 1 1 -14 21 48 o 6.863489 2.051105  0.3828903E-01  0.4831212 0.2120049      0.7273127 -0.9888761E-01 0.6463107 1.151352       4.102210  
1 1 1 -14 21 49 o 31.03026 1.209712  9.864427       0.7343357 8.969215       1.133629  10.51165       0.9639072 -2.534904      2.419424  
1 1 1 -14 21 50 o 43.75710 1.172013  19.16074       1.012203  20.35009       1.583049  18.33822       1.316476  2.221825       2.344027  
1 1 1 -14 21 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 22 1  o 113.1899 1.243409  128.3222       2.812992  125.6976       3.894486  131.1852       4.067495  -2.412285      2.486817  
1 1 1 -14 22 2  o 42.86448 0.6460633 18.26261       0.5515926 19.73626       0.8271661 17.08255       0.7401986 3.092400       1.292127  
1 1 1 -14 22 3  o 116.7001 1.278061  136.3111       2.979175  132.4464       4.090416  140.6774       4.347728  -3.508675      2.556121  
1 1 1 -14 22 4  o 71.24904 1.153289  49.95719       1.568555  53.87507       2.694088  47.94804       1.929270  4.111900       2.306578  
1 1 1 -14 22 5  o 114.4255 1.256067  131.0535       2.871173  135.0907       4.183917  127.4599       3.947309  3.318336       2.512134  
1 1 1 -14 22 6  o 66.89468 0.8194646 44.78032       1.096121  45.47333       1.570138  44.12151       1.530905  1.008675       1.638929  
1 1 1 -14 22 7  o 87.79169 1.006485  77.13605       1.766326  78.92322       2.547825  75.48225       2.450917  1.954460       2.012970  
1 1 1 -14 22 8  o 90.22758 1.026718  81.53651       1.852680  81.03827       2.605040  82.04643       2.635394  -0.5569916     2.053435  
1 1 1 -14 22 9  o 132.7773 1.437818  176.5446       3.812685  171.3694       5.226039  182.4335       5.574739  -4.139175      2.875636  
1 1 1 -14 22 10 o 18.21450 0.7046843 3.233900       0.2528624 4.137389       0.3924957 2.592835       0.3306164 4.237532       1.409369  
1 1 1 -14 22 11 o 74.33333 0.8880741 55.17594       1.317755  53.08411       1.797496  57.60643       1.937549  -3.035088      1.776148  
1 1 1 -14 22 12 o 116.8402 1.281682  136.1094       2.981719  144.6203       4.478032  129.3304       3.996506  6.508873       2.563365  
1 1 1 -14 22 13 o 35.65865 0.6463609 12.63240       0.4592639 11.39086       0.6210641 14.13054       0.6822309 -3.839310      1.292722  
1 1 1 -14 22 14 o 39.62609 0.6547147 14.92913       0.5053447 19.63517       0.8368177 12.22781       0.6340041 9.338943       1.309429  
1 1 1 -14 22 15 o 36.35868 0.6444511 13.19425       0.4677235 13.76218       0.6878347 12.70579       0.6379056 1.450836       1.288902  
1 1 1 -14 22 16 o 25.04504 0.6682296 6.285349       0.3334402 5.603526       0.4678074 6.989470       0.4753953 -2.766596      1.336459  
1 1 1 -14 22 17 o 128.1461 1.394803  164.7617       3.574162  163.0051       4.999361  166.5981       5.111770  -1.391823      2.789606  
1 1 1 -14 22 18 o 11.05082 1.197780  1.209802       0.2436292 1.962460       0.3803104 0.6859537      0.3172795 5.891173       2.395561  
1 1 1 -14 22 19 o 96.78719 1.093457  93.73524       2.113744  96.89737       3.088424  90.94887       2.899119  3.058472       2.186913  
1 1 1 -14 22 20 o 50.04924 0.7164614 25.07514       0.7171522 24.89001       1.014255  25.26024       1.014158  -0.3698654     1.432923  
1 1 1 -14 22 21 f 26.15159 0.6844578 6.733165       0.3548441 8.076181       0.5405726 5.716326       0.4703700 4.508507       1.368916  
1 1 1 -14 22 22 o 22.18572 0.7336184 4.910704       0.3245167 5.133045       0.4819517 4.726286       0.4389310 0.9143982      1.467237  
1 1 1 -14 22 23 o 42.01430 0.9098350 16.17111       0.6655921 14.79706       0.7573819 20.83155       1.394849  -7.136131      1.819670  
1 1 1 -14 22 24 o 101.3431 1.410220  104.3950       2.728922  107.4665       3.415714  98.97477       4.537454  4.317871       2.820441  
1 1 1 -14 22 25 o 65.65103 1.226658  43.15535       1.608461  45.23456       2.350437  41.32408       2.205856  2.963089       2.453316  
1 1 1 -14 22 26 o 63.28975 1.206845  40.18251       1.527194  41.41384       2.187764  39.01222       2.132840  1.891369       2.413691  
1 1 1 -14 22 27 o 21.69608 1.278662  4.721574       0.5543799 4.992659       0.7997274 4.470798       0.7691873 1.198906       2.557324  
1 1 1 -14 22 28 o 48.10387 1.095858  23.16779       1.053102  24.54925       1.531455  21.92858       1.450465  2.714867       2.191716  
1 1 1 -14 22 29 f 16.42014 1.537788  2.748357       0.4985192 2.426964       0.7372926 3.019040       0.6766323 -1.812586      3.075577  
1 1 1 -14 22 30 o 16.58320 1.606073  2.768189       0.5321493 2.947211       0.7664949 2.601608       0.7393829 1.037319       3.212146  
1 1 1 -14 22 31 o 27.58891 1.173838  7.650648       0.6471484 7.314124       0.9175004 7.983827       0.9129288 -1.214331      2.347675  
1 1 1 -14 22 32 f 18.69798 2.050755  0.000000       0.000000  ?              ?         3.521131       0.7668998 ?              ?         
1 1 1 -14 22 33 o 44.32901 2.070267  0.000000       0.000000  ?              ?         19.80179       1.835458  ?              ?         
1 1 1 -14 22 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 22 35 o 24.02415 1.193547  5.724422       0.5401324 6.036846       0.9488564 5.574652       0.6569616 0.9149704      2.387094  
1 1 1 -14 22 36 o 84.81386 1.264557  71.22466       1.967524  75.33183       3.632961  69.52003       2.340474  3.198860       2.529113  
1 1 1 -14 22 37 o 61.63116 1.048294  37.09784       1.166702  40.62395       2.231045  35.77061       1.368774  3.807255       2.096589  
1 1 1 -14 22 38 o 35.44826 0.9716899 12.46300       0.6147510 12.95754       1.184156  12.28053       0.7192720 0.8882523      1.943380  
1 1 1 -14 22 39 o 24.17780 1.115341  5.728387       0.4663789 6.183606       0.9512737 5.584348       0.5351010 1.164253       2.230682  
1 1 1 -14 22 40 o 14.24742 1.709065  1.909400       0.4014527 2.458614       0.8716432 1.761531       0.4522783 2.046190       3.418130  
1 1 1 -14 22 41 f 40.81268 0.9813364 17.16731       0.7347217 15.62833       1.305321  17.88100       0.8889039 -2.829697      1.962673  
1 1 1 -14 22 42 o 58.05318 1.044132  33.32104       1.105856  35.28819       2.062396  32.52724       1.310114  2.236298       2.088264  
1 1 1 -14 22 43 o 9.857100 2.156039  0.9258919      0.4116574 1.115330       0.8712080 0.8714386      0.4670900 1.494185       4.312078  
1 1 1 -14 22 44 o 17.30892 1.809932  3.667583       0.4625509 2.221595       0.9561012 4.109435       0.5285180 -5.826967      3.619864  
1 1 1 -14 22 45 f 24.16891 1.592240  5.996414       0.7610959 6.765551       1.053426  5.156476       1.100843  3.345501       3.184479  
1 1 1 -14 22 46 o 42.75179 2.481037  18.62910       2.121375  18.62910       2.121375  ?              ?         ?              ?         
1 1 1 -14 22 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 22 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 22 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 23 1  o 57.37227 0.8266830 32.54902       0.9213672 31.31356       1.161300  34.64790       1.513640  -2.885963      1.653366  
1 1 1 -14 23 2  o 77.46532 0.9943160 60.03759       1.519534  60.63190       2.356349  59.61451       1.988154  0.6320343      1.988632  
1 1 1 -14 23 3  o 37.74108 0.6267579 14.24964       0.4730106 14.56752       0.6760224 13.94474       0.6620717 0.8244858      1.253516  
1 1 1 -14 23 4  o 48.10561 0.6852838 23.02276       0.6572362 25.01829       0.9775806 21.37681       0.8878323 3.780819       1.370568  
1 1 1 -14 23 5  o 33.65421 0.6088208 11.32552       0.4096365 10.96778       0.5706320 11.70588       0.5884038 -1.095898      1.217642  
1 1 1 -14 23 6  o 48.68390 0.6920236 23.68477       0.6731514 24.55540       0.9787881 22.90339       0.9272600 1.694336       1.384047  
1 1 1 -14 23 7  o 162.7480 1.740343  266.3325       5.664310  264.5532       7.951734  268.1655       8.070680  -1.096222      3.480687  
1 1 1 -14 23 8  o 51.81555 0.7113921 26.48307       0.7311435 23.90403       0.9615696 30.01772       1.125708  -5.891750      1.422784  
1 1 1 -14 23 9  o 147.1501 1.582457  217.5361       4.656845  219.1264       6.633662  215.9910       6.538906  1.055344       3.164914  
1 1 1 -14 23 10 o 97.12492 1.093651  94.42334       2.122254  91.92440       2.922775  97.21017       3.086560  -2.708977      2.187302  
1 1 1 -14 23 11 o 76.61070 0.9073536 58.26366       1.381531  63.34510       2.101751  54.39774       1.833221  5.822708       1.814707  
1 1 1 -14 23 12 o 58.28382 0.7637256 33.99839       0.8900452 33.54222       1.242423  34.47930       1.275664  -0.8021164     1.527451  
1 1 1 -14 23 13 o 52.49390 0.7244864 26.80774       0.7478685 31.97397       1.199227  23.51988       0.9566919 8.040081       1.448973  
1 1 1 -14 23 14 o 47.49857 0.6921862 22.52427       0.6564669 23.57375       0.9628745 21.61277       0.8973535 2.061069       1.384372  
1 1 1 -14 23 15 o 51.98983 0.7206339 27.03823       0.7490495 26.22846       1.043541  27.89888       1.075828  -1.604862      1.441268  
1 1 1 -14 23 16 o 98.40169 1.108832  97.06625       2.182219  97.04605       3.086408  97.08645       3.085840  -0.2057648E-01 2.217664  
1 1 1 -14 23 17 o 45.42957 0.6960178 20.51325       0.6301102 18.86070       0.8490645 22.53913       0.9400929 -4.043896      1.392036  
1 1 1 -14 23 18 o 44.85562 0.6887593 20.14055       0.6177390 20.15070       0.8836872 20.13085       0.8638793 0.2108002E-01  1.377519  
1 1 1 -14 23 19 o 35.62856 0.6662928 12.67285       0.4737343 11.54512       0.6532566 13.92379       0.6880172 -3.336304      1.332586  
1 1 1 -14 23 20 o 50.45002 0.7236100 25.08113       0.7231387 28.42753       1.121516  22.69983       0.9460678 5.666122       1.447220  
1 1 1 -14 23 21 o 17.87220 0.8194573 3.168563       0.2912293 3.488423       0.4417604 2.922694       0.3873110 1.578922       1.638915  
1 1 1 -14 23 22 o 89.32245 1.031663  79.99599       1.843012  79.98511       2.607733  80.00684       2.605093  -0.1239777E-01 2.063325  
1 1 1 -14 23 23 o 15.58618 0.9218899 2.450457       0.2853100 2.263791       0.4190695 2.611732       0.3895269 -1.118688      1.843780  
1 1 1 -14 23 24 o 70.47069 0.8718128 49.76230       1.228677  49.43183       1.726653  50.10130       1.748782  -0.4731064     1.743626  
1 1 1 -14 23 25 o 15.90729 0.9276572 2.503970       0.2929896 2.818805       0.4485184 2.269622       0.3869627 1.720306       1.855314  
1 1 1 -14 23 26 o 19.67826 0.8252973 3.904509       0.3227415 3.501105       0.4652810 4.278599       0.4480569 -1.976999      1.650595  
1 1 1 -14 23 27 o 72.20749 0.8935903 52.26487       1.290458  51.85561       1.820957  52.67776       1.829037  -0.5685120     1.787181  
1 1 1 -14 23 28 o 48.66297 0.7331863 23.66786       0.7121624 24.53182       1.047272  22.92469       0.9713113 1.645000       1.466373  
1 1 1 -14 23 29 o 81.49947 1.192806  64.72784       1.777543  71.69434       3.335832  61.96535       2.100615  5.796852       2.385612  
1 1 1 -14 23 30 o 34.51401 0.9211428 11.92256       0.6322943 12.17782       0.9500169 11.71956       0.8471896 0.6521568      1.842286  
1 1 1 -14 23 31 o 79.50995 1.326673  63.51816       2.107673  61.11166       2.904572  66.19458       3.063145  -3.169044      2.653346  
1 1 1 -14 23 32 o 74.96312 0.9278148 56.31968       1.389821  57.73526       2.016752  55.03936       1.917973  1.785797       1.855630  
1 1 1 -14 23 33 o 101.3079 1.669707  103.7376       3.382928  103.4287       4.758132  104.0533       4.810667  -0.2962418     3.339414  
1 1 1 -14 23 34 o 43.98106 0.7410442 19.26578       0.6487559 20.58571       0.9765487 18.22302       0.8679769 2.674511       1.482088  
1 1 1 -14 23 35 o 119.6027 1.334059  144.0980       3.191096  143.3585       4.498178  144.8472       4.527749  -0.6165924     2.668118  
1 1 1 -14 23 36 o 8.865088 1.744055  0.7974129      0.3155664 0.9499117      0.5033578 0.6986647      0.4050493 1.309798       3.488111  
1 1 1 -14 23 37 o 51.98763 0.7835786 27.05258       0.8127828 27.83031       1.198150  26.38959       1.106241  1.373672       1.567157  
1 1 1 -14 23 38 f 34.85595 0.7618635 12.23391       0.5288342 11.13646       0.7571855 13.27905       0.7389178 -3.075916      1.523727  
1 1 1 -14 23 39 f 20.92966 0.9588134 4.426939       0.3945923 4.248827       0.6102481 4.554918       0.5172803 -0.7468681     1.917627  
1 1 1 -14 23 40 o 8.831633 1.841477  0.8060120      0.3407827 0.7794328      0.5575227 0.8218659      0.4305847 -0.3746033E-01 3.682953  
1 1 1 -14 23 41 o 34.70121 0.7880521 11.91193       0.5408795 13.20676       0.8438874 11.00914       0.7046440 3.145168       1.576104  
1 1 1 -14 23 42 o 47.51451 0.7996288 22.62735       0.7574634 23.03057       1.121012  22.28859       1.027514  0.7658310      1.599258  
1 1 1 -14 23 43 o 54.99051 0.8344004 30.39773       0.9167109 29.59123       1.315746  31.15855       1.277931  -1.431988      1.668801  
1 1 1 -14 23 44 o 53.36010 0.9041162 28.53330       0.9581078 27.92922       1.275367  29.31588       1.451616  -1.264225      1.808232  
1 1 1 -14 23 45 o 53.22571 1.151858  28.63191       1.223416  27.34195       1.763300  29.82928       1.698842  -2.353512      2.303717  
1 1 1 -14 23 46 o 29.61560 1.197145  8.785195       0.6962708 9.235125       1.105484  8.489357       0.8964126 1.197815       2.394289  
1 1 1 -14 23 47 o 33.89266 1.154671  11.53505       0.7734709 11.97202       1.198277  11.22295       1.012698  1.052147       2.309343  
1 1 1 -14 23 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 24 1  o 49.29431 0.6952616 24.32518       0.6854471 24.32992       0.9683574 24.32043       0.9703829 0.9727478E-02  1.390523  
1 1 1 -14 24 2  o 47.14661 0.7714520 21.02461       0.6857486 18.84667       0.8234906 25.95124       1.238544  -7.509991      1.542904  
1 1 1 -14 24 3  o 140.4399 1.518266  198.1830       4.264172  199.8120       6.076565  196.6025       5.985370  1.132217       3.036532  
1 1 1 -14 24 4  f 44.36657 0.6631153 19.61129       0.5868968 21.00468       0.8687460 18.44146       0.7960106 2.885071       1.326231  
1 1 1 -14 24 5  o 47.03347 0.6807035 22.12952       0.6401106 22.69571       0.9195020 21.59711       0.8916466 1.166481       1.361407  
1 1 1 -14 24 6  f 91.83083 1.046321  84.40089       1.919534  82.09943       2.640257  86.98125       2.795666  -2.645996      2.092641  
1 1 1 -14 24 7  o 62.75925 0.7946503 39.04095       0.9908842 36.13836       1.312703  42.88525       1.510711  -5.363506      1.589301  
1 1 1 -14 24 8  o 152.6726 1.640876  234.1792       5.006118  228.9380       6.911654  239.9631       7.260677  -3.567841      3.281753  
1 1 1 -14 24 9  o 88.88354 1.020741  79.15221       1.814046  78.09609       2.530119  80.26945       2.602301  -1.217003      2.041483  
1 1 1 -14 24 10 f 115.4865 1.271980  133.7878       2.936995  131.8744       4.091910  135.8210       4.218036  -1.696365      2.543960  
1 1 1 -14 24 11 o 35.07076 0.6394251 12.30755       0.4482831 12.40764       0.6452613 12.21418       0.6232476 0.2747116      1.278850  
1 1 1 -14 24 12 o 47.89773 0.6951555 22.96803       0.6658592 22.88461       0.9474981 23.04943       0.9359426 -0.1726913     1.390311  
1 1 1 -14 24 13 o 32.22839 0.6409914 10.39702       0.4129090 10.38167       0.5942155 10.41135       0.5741826 -0.4709244E-01 1.281983  
1 1 1 -14 24 14 o 31.79766 0.6575119 10.06562       0.4162271 8.799737       0.5679042 11.53483       0.6118132 -4.298391      1.315024  
1 1 1 -14 24 15 o 70.96913 0.8706325 50.42619       1.235301  49.36667       1.718530  51.55888       1.776891  -1.540215      1.741265  
1 1 1 -14 24 16 f 77.53434 0.9231756 60.05546       1.428592  57.51980       1.945506  63.02256       2.104519  -3.536041      1.846351  
1 1 1 -14 24 17 o 33.52401 0.6614875 11.25153       0.4433340 11.22456       0.6356981 11.27706       0.6185898 -0.7928848E-01 1.322975  
1 1 1 -14 24 18 o 45.87467 0.6982093 20.98830       0.6393406 19.59023       0.8729246 22.60609       0.9390173 -3.282875      1.396419  
1 1 1 -14 24 19 o 52.32545 0.7386521 27.33320       0.7715952 28.85429       1.133887  26.02139       1.052999  2.701344       1.477304  
1 1 1 -14 24 20 o 42.21188 0.6879520 17.84021       0.5806928 17.93797       0.8299992 17.74648       0.8127208 0.2256393      1.375904  
1 1 1 -14 24 21 o 41.45419 0.6926320 17.03812       0.5711031 18.89581       0.8645927 15.60016       0.7606739 3.967625       1.385264  
1 1 1 -14 24 22 o 72.64654 0.8924783 52.89666       1.296671  52.51194       1.825228  53.28867       1.842431  -0.5329895     1.784957  
1 1 1 -14 24 23 o 105.6120 1.186958  111.8473       2.504256  115.2604       3.648487  108.8070       3.443501  3.029449       2.373915  
1 1 1 -14 24 24 o 14.60189 0.9960038 2.122089       0.2894471 2.305431       0.4365446 1.978253       0.3866600 1.114882       1.992008  
1 1 1 -14 24 25 o 55.78091 0.7783115 31.15519       0.8675101 31.63919       1.257832  30.71610       1.198040  0.8221130      1.556623  
1 1 1 -14 24 26 o 51.41274 0.9933550 26.52081       1.021020  25.54777       1.437756  27.51079       1.450206  -1.907608      1.986710  
1 1 1 -14 24 27 o 52.51852 1.015271  27.54059       1.063663  25.30768       1.447497  30.16155       1.568241  -4.605938      2.030542  
1 1 1 -14 24 28 o 76.46284 1.125607  57.74369       1.619642  55.89748       1.965459  61.65004       2.858967  -3.632835      2.251215  
1 1 1 -14 24 29 o 27.24863 0.7635376 7.429085       0.4147993 7.589529       0.6141877 7.294533       0.5624505 0.5360126      1.527075  
1 1 1 -14 24 30 o 44.57459 0.7381896 19.70044       0.6544130 17.29222       0.8778136 22.71340       0.9818624 -6.070572      1.476379  
1 1 1 -14 24 31 o 58.73904 0.8041987 34.31538       0.9394517 37.13193       1.423198  32.14043       1.250637  4.229454       1.608397  
1 1 1 -14 24 32 o 32.11882 0.8082011 10.09968       0.5129827 8.635707       0.6678544 12.20624       0.8011308 -5.542639      1.616402  
1 1 1 -14 24 33 o 48.61102 0.7566928 23.68852       0.7346861 23.65002       1.066506  23.72328       1.013523  -0.8125305E-01 1.513386  
1 1 1 -14 24 34 o 86.21585 1.025376  74.67213       1.768015  73.87703       2.490127  75.48043       2.510701  -0.9265823     2.050752  
1 1 1 -14 24 35 o 22.58613 0.9076670 5.280481       0.3957931 3.827079       0.5735160 6.602132       0.5469039 -6.147219      1.815334  
1 1 1 -14 24 36 o 47.39011 0.7711388 22.53803       0.7304016 22.04383       1.044664  23.01066       1.021610  -1.023205      1.542278  
1 1 1 -14 24 37 o 16.81854 1.140885  2.997580       0.3627698 2.010683       0.5370497 3.825774       0.4919766 -5.404714      2.281769  
1 1 1 -14 24 38 o 32.69304 0.7829959 10.58312       0.5067074 11.66782       0.7874479 9.816588       0.6619624 2.813322       1.565992  
1 1 1 -14 24 39 o 25.81789 0.8557642 6.525417       0.4355145 7.716935       0.6912313 5.741047       0.5608329 3.804907       1.711528  
1 1 1 -14 24 40 o 35.33998 0.7862510 12.45926       0.5520061 13.14357       0.8389019 11.93671       0.7330670 1.690872       1.572502  
1 1 1 -14 24 41 o 33.84057 0.8290415 11.59647       0.5563580 10.33886       0.8095801 12.72191       0.7658575 -3.528759      1.658083  
1 1 1 -14 24 42 o 34.01265 0.8933458 11.49377       0.6041166 10.36242       0.8036940 12.96332       0.9159750 -3.801208      1.786692  
1 1 1 -14 24 43 o 33.52418 1.005907  11.22672       0.6718497 10.10235       0.9078026 12.58837       0.9990107 -3.687109      2.011814  
1 1 1 -14 24 44 o 17.60190 1.627950  3.282051       0.5330342 2.771116       0.9000491 3.558058       0.6615212 -2.324949      3.255900  
1 1 1 -14 24 45 f 45.31130 1.129585  20.78296       1.017203  20.07468       1.511152  21.36976       1.375484  -1.467529      2.259170  
1 1 1 -14 24 46 o 12.35293 4.218762  0.000000       0.000000  ?              ?         1.529948       1.252237  ?              ?         
1 1 1 -14 25 1  o 105.2363 1.175380  110.6262       2.464565  105.4628       3.316906  116.9907       3.682542  -5.436966      2.350760  
1 1 1 -14 25 2  o 80.40263 0.9462740 64.69206       1.519689  62.86181       2.086265  66.76098       2.218119  -2.413277      1.892548  
1 1 1 -14 25 3  o 101.2090 1.138157  102.4483       2.297867  98.51714       3.117789  107.1228       3.399852  -4.222191      2.276314  
1 1 1 -14 25 4  f 58.72461 0.7681193 34.16817       0.8958933 31.55867       1.184854  37.65163       1.368963  -5.174938      1.536239  
1 1 1 -14 25 5  o 34.44282 0.6268525 11.84051       0.4311160 12.49412       0.6319530 11.27152       0.5896257 1.772438       1.253705  
1 1 1 -14 25 6  f 33.02771 0.6248137 10.84868       0.4113739 11.89252       0.6118042 9.987310       0.5557658 2.881100       1.249627  
1 1 1 -14 25 7  o 49.41790 0.7036034 24.40870       0.6947304 23.47272       0.9569988 25.45152       1.010149  -1.998745      1.407207  
1 1 1 -14 25 8  o 41.28194 0.6608323 17.04642       0.5453742 16.47007       0.7587597 17.66244       0.7844317 -1.442638      1.321665  
1 1 1 -14 25 9  o 68.39851 0.8434822 46.85132       1.153575  46.07658       1.609728  47.66924       1.653975  -1.160843      1.686964  
1 1 1 -14 25 10 o 59.23553 0.7733433 35.09724       0.9155155 33.94736       1.265468  36.36001       1.326130  -2.032162      1.546687  
1 1 1 -14 25 11 o 20.24918 0.7144631 4.013382       0.2860463 4.890148       0.4437483 3.390051       0.3741572 3.699429       1.428926  
1 1 1 -14 25 12 o 63.08417 0.8102489 39.79728       1.021033  38.52760       1.402480  41.22911       1.489350  -2.134445      1.620498  
1 1 1 -14 25 13 o 41.94093 0.6722868 17.39233       0.5601708 19.64391       0.8539843 15.69190       0.7421402 4.704021       1.344574  
1 1 1 -14 25 14 o 30.44288 0.6534355 9.284899       0.3975534 9.080885       0.5692940 9.479084       0.5554136 -0.6549187     1.306871  
1 1 1 -14 25 15 o 14.16057 0.9179034 2.034067       0.2564349 1.826648       0.3832082 2.202271       0.3450874 -1.329856      1.835807  
1 1 1 -14 25 16 o 45.40432 0.6981591 20.63419       0.6337837 21.06447       0.9105930 20.22989       0.8826700 0.9170303      1.396318  
1 1 1 -14 25 17 o 94.45425 1.078828  89.50598       2.037707  88.51728       2.852668  90.53606       2.911746  -1.061974      2.157655  
1 1 1 -14 25 18 o 50.07142 0.7254236 24.82210       0.7216135 27.66143       1.101004  22.68393       0.9554377 4.959229       1.450847  
1 1 1 -14 25 19 o 40.51587 0.6948246 16.42309       0.5627042 15.69780       0.7828550 17.19836       0.8093751 -1.849838      1.389649  
1 1 1 -14 25 20 o 129.1123 1.416777  167.7241       3.658025  169.3589       5.222526  166.1497       5.125301  1.227524       2.833555  
1 1 1 -14 25 21 o 65.08612 0.8352412 42.45830       1.087218  42.39256       1.543060  42.52311       1.532115  -0.1013412     1.670482  
1 1 1 -14 25 22 o 64.82943 1.005413  40.65129       1.199455  46.03985       2.236399  38.47533       1.421145  5.738049       2.010826  
1 1 1 -14 25 23 o 53.35041 1.004573  28.56320       1.071591  27.69552       1.510795  29.44168       1.520165  -1.635345      2.009145  
1 1 1 -14 25 24 f 25.99949 0.9148752 6.440492       0.4636605 8.659649       0.7609507 5.130075       0.5847459 6.767340       1.829750  
1 1 1 -14 25 25 o 33.35552 0.7880805 11.20946       0.5207866 11.62681       0.6982090 10.68609       0.7818800 1.418762       1.576161  
1 1 1 -14 25 26 f 77.22478 0.9383359 59.82421       1.449092  58.97385       2.030927  60.70609       2.068234  -1.116829      1.876672  
1 1 1 -14 25 27 f 9.080189 1.432083  0.7240772      0.2832441 1.577297       0.4572217 0.1927228      0.3608183 6.877378       2.864166  
1 1 1 -14 25 28 o 38.57442 0.7125394 14.91672       0.5494462 14.47515       0.7804369 15.35068       0.7736756 -1.135529      1.425079  
1 1 1 -14 25 29 o 44.88365 0.7392276 20.15248       0.6628695 18.95401       0.9166443 21.46622       0.9597163 -2.793961      1.478455  
1 1 1 -14 25 30 o 17.43522 0.9664685 2.977539       0.3314218 3.459670       0.5307264 2.669342       0.4243284 2.251366       1.932937  
1 1 1 -14 25 31 o 25.85581 0.7977316 6.683629       0.4099047 6.874782       0.6191600 6.534478       0.5469231 0.6493244      1.595463  
1 1 1 -14 25 32 f 51.22097 0.7728185 26.16161       0.7884992 27.89660       1.181213  24.76711       1.058985  3.039413       1.545637  
1 1 1 -14 25 33 o 15.73915 1.094213  2.568068       0.3332706 2.097164       0.5097450 2.919635       0.4404446 -2.625686      2.188426  
1 1 1 -14 25 34 o 39.37224 0.7487069 15.56200       0.5883361 14.35960       0.8298291 16.77726       0.8342544 -3.069687      1.497414  
1 1 1 -14 25 35 o 85.69801 1.026304  73.83048       1.759015  73.29720       2.486643  74.36462       2.488604  -0.6224136     2.052609  
1 1 1 -14 25 36 o 44.93114 0.7696057 20.26853       0.6909375 19.42948       0.9828029 21.08850       0.9715607 -1.847786      1.539211  
1 1 1 -14 25 37 o 8.787305 1.739935  0.8346116      0.3285002 0.5044599      0.5253891 1.046527       0.4209256 -2.372578      3.479870  
1 1 1 -14 25 38 o 42.01642 0.7771256 17.71649       0.6512772 16.03641       0.9107106 19.47506       0.9317396 -4.088764      1.554251  
1 1 1 -14 25 39 o 60.84593 0.8495162 37.18820       1.033553  36.16119       1.457757  38.22630       1.465605  -1.695541      1.699032  
1 1 1 -14 25 40 o 12.06166 1.701362  1.532675       0.3960667 1.445537       0.5600002 1.619890       0.5602457 -0.7306185     3.402724  
1 1 1 -14 25 41 o 11.57091 1.985186  1.423262       0.4532756 1.448317       0.6787484 1.403094       0.6089705 0.1624784      3.970372  
1 1 1 -14 25 42 o 38.41569 1.075467  14.92981       0.8221979 14.16802       1.205161  15.59309       1.124547  -1.875340      2.150934  
1 1 1 -14 25 43 o 18.93623 1.510434  3.757992       0.5466058 3.199995       0.8754484 4.114506       0.6997656 -2.479948      3.020867  
1 1 1 -14 25 44 o 31.47367 1.157753  9.992905       0.7178747 10.02490       1.116286  9.970343       0.9374315 0.3630447E-01  2.315507  
1 1 1 -14 25 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 26 1  o 21.68317 0.6549149 4.692634       0.2830343 4.171834       0.3893947 5.275974       0.4121126 -2.544476      1.309830  
1 1 1 -14 26 2  o 21.04202 1.098252  3.825306       0.3522556 3.535262       0.3822604 5.458315       0.9070290 -4.508827      2.196504  
1 1 1 -14 26 3  o 5.954782 1.920277  -0.5753009     0.5219154 -0.1284889     0.7281833 -1.047309      0.7484329 1.441963       3.840553  
1 1 1 -14 26 4  o 40.27215 1.147781  16.28251       0.9241824 16.82818       1.312396  15.74574       1.301653  1.342602       2.295562  
1 1 1 -14 26 5  o 22.96295 1.133739  5.718391       0.3870860 4.667137       0.9001925 5.956866       0.4287487 -2.859303      2.267477  
1 1 1 -14 26 6  o 50.15957 0.7173584 25.17867       0.7193632 24.40822       1.001021  26.00147       1.034470  -1.585651      1.434717  
1 1 1 -14 26 7  o 21.67874 0.6851982 4.756676       0.2937896 4.069446       0.4243686 5.389207       0.4071298 -3.045147      1.370396  
1 1 1 -14 26 8  o 27.33513 0.6490662 7.375268       0.3523079 8.512404       0.5372207 6.517183       0.4666719 3.644697       1.298132  
1 1 1 -14 26 9  o 37.67546 0.6578851 13.78721       0.4879988 16.90986       0.7766605 11.75017       0.6272903 6.837070       1.315770  
1 1 1 -14 26 10 o 34.96114 0.6521700 12.13583       0.4540019 13.40885       0.6818022 11.12170       0.6085374 3.265888       1.304340  
1 1 1 -14 26 11 f 85.11919 0.9946909 72.60274       1.692168  74.44102       2.449087  70.92347       2.340761  2.054619       1.989382  
1 1 1 -14 26 12 o 29.67529 0.6630463 8.512197       0.3866202 10.77988       0.6179208 7.053356       0.4956157 6.269983       1.326093  
1 1 1 -14 26 13 o 65.73364 0.8336921 43.29542       1.095899  42.82542       1.535295  43.78365       1.564796  -0.7261429     1.667384  
1 1 1 -14 26 14 o 40.87797 0.6839492 16.40740       0.5533972 19.21214       0.8604530 14.42887       0.7226930 5.840042       1.367898  
1 1 1 -14 26 15 o 56.62199 0.7682986 32.08936       0.8695147 33.03379       1.257013  31.22284       1.204055  1.594498       1.536597  
1 1 1 -14 26 16 o 39.46414 0.6796843 15.47889       0.5341531 16.91215       0.8021550 14.33703       0.7159816 3.255760       1.359369  
1 1 1 -14 26 17 o 37.39043 0.6819674 13.94756       0.5087230 14.77178       0.7524656 13.25367       0.6904182 2.025028       1.363935  
1 1 1 -14 26 18 o 56.14264 0.9072953 31.67014       0.9788821 31.39004       1.624056  31.82996       1.226764  -0.4354019     1.814591  
1 1 1 -14 26 19 o 57.97372 1.039274  33.18002       1.190623  37.30638       1.866857  30.35088       1.545805  5.956894       2.078549  
1 1 1 -14 26 20 o 32.67126 0.8616554 10.62044       0.5590327 11.37096       0.8530344 10.05546       0.7401185 2.000668       1.723311  
1 1 1 -14 26 21 o 55.06824 0.8917373 30.68803       0.9727089 34.65300       1.353446  26.45218       1.398917  7.451370       1.783475  
1 1 1 -14 26 22 o 7.005018 1.374541  0.4757173      0.2501757 -0.1547323     0.3922585 0.9080023      0.3248121 -4.681092      2.749083  
1 1 1 -14 26 23 o 30.30346 0.7068105 9.223848       0.4271967 8.785735       0.6178760 9.625076       0.5912948 -1.387444      1.413621  
1 1 1 -14 26 24 f 14.38280 1.133583  2.198046       0.3039258 1.331296       0.4397578 2.990618       0.4205193 -5.771234      2.267166  
1 1 1 -14 26 25 o 50.60303 0.7498522 25.57358       0.7575412 23.98470       1.035672  27.40176       1.110933  -3.368286      1.499704  
1 1 1 -14 26 26 o 63.24075 0.8314433 40.02879       1.050082  41.51593       1.536234  38.72459       1.438645  2.195076       1.662887  
1 1 1 -14 26 27 o 29.96547 0.7265689 8.928720       0.4331074 9.664421       0.6550868 8.357409       0.5772779 2.172544       1.453138  
1 1 1 -14 26 28 o 25.41315 0.7856068 6.448856       0.3967478 6.702993       0.6005759 6.252068       0.5284845 0.8785210      1.571214  
1 1 1 -14 26 29 o 41.69399 0.7411572 17.39774       0.6168040 17.88555       0.9061437 16.97658       0.8419722 1.082275       1.482314  
1 1 1 -14 26 30 o 23.46315 0.8674100 5.641094       0.3955800 4.152423       0.5630016 7.092628       0.5559346 -6.266607      1.734820  
1 1 1 -14 26 31 o 52.61172 0.7806061 27.65745       0.8190331 29.12387       1.215181  26.43676       1.108703  2.539074       1.561212  
1 1 1 -14 26 32 f 26.32936 0.8024017 6.861568       0.4195134 7.784018       0.6414417 6.172083       0.5545596 3.048769       1.604803  
1 1 1 -14 26 33 f 38.95433 0.7503791 15.14657       0.5821725 15.96960       0.8720585 14.48486       0.7819285 1.893509       1.500758  
1 1 1 -14 26 34 o 15.85672 1.127074  2.605878       0.3435324 2.220888       0.5436379 2.861806       0.4432455 -2.042004      2.254148  
1 1 1 -14 26 35 o 28.42485 0.8005350 8.004614       0.4512934 8.910420       0.6952856 7.345177       0.5932424 2.737049       1.601070  
1 1 1 -14 26 36 o 6.988524 1.630011  0.3823299      0.3232793 -0.3271355     0.5169178 0.8380666      0.4142980 -3.861320      3.260022  
1 1 1 -14 26 37 o 19.69246 1.017856  3.906370       0.3928764 3.886960       0.6197178 3.919414       0.5080085 -0.1075363     2.035713  
1 1 1 -14 26 38 o 59.98515 0.9228929 36.26543       1.103049  37.43217       1.511265  34.93523       1.613660  2.102081       1.845786  
1 1 1 -14 26 39 o 75.23708 1.209438  57.20082       1.801906  57.60386       2.391485  56.67152       2.740602  0.7150497      2.418877  
1 1 1 -14 26 40 o 29.44213 1.137813  8.891819       0.6569552 7.796149       0.9929985 9.744691       0.8760943 -3.340479      2.275625  
1 1 1 -14 26 41 o 24.34568 1.246595  6.030118       0.5924724 5.813833       0.9371464 6.174121       0.7646799 -0.7937355     2.493191  
1 1 1 -14 26 42 o 9.725429 2.227592  0.9156741      0.4793012 1.142794       0.8006091 0.7888005      0.5983821 1.649218       4.455184  
1 1 1 -14 26 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 27 1  o 61.61454 0.7969496 37.83015       0.9787505 40.73270       1.459474  35.45794       1.319423  4.266365       1.593899  
1 1 1 -14 27 2  f 14.06287 0.8311120 1.984057       0.2335611 1.927508       0.3339539 2.038201       0.3267737 -0.3943100     1.662224  
1 1 1 -14 27 3  o 58.28777 0.7764277 34.03352       0.9049452 34.73686       1.295427  33.36314       1.264698  1.175434       1.552855  
1 1 1 -14 27 4  o 110.6372 1.234664  123.0300       2.731538  124.5057       3.906595  121.6183       3.820790  1.291824       2.469329  
1 1 1 -14 27 5  o 35.95571 0.6619102 12.92918       0.4755577 12.20154       0.6597090 13.71632       0.6861501 -2.104298      1.323820  
1 1 1 -14 27 6  o 62.53438 0.8058704 39.19384       1.007892  39.22753       1.426214  39.16023       1.424535  0.5364227E-01  1.611741  
1 1 1 -14 27 7  o 39.69436 0.6765053 15.51779       0.5324263 13.71301       0.6999792 17.99542       0.8201475 -5.384205      1.353011  
1 1 1 -14 27 8  o 28.45429 1.035960  8.298319       0.4849612 8.433994       0.5500537 7.824693       1.027716  1.128546       2.071920  
1 1 1 -14 27 9  o 40.26441 1.154740  16.27262       0.9289562 15.96214       1.280429  16.61765       1.349799  -0.8040504     2.309481  
1 1 1 -14 27 10 o 62.01725 1.246078  38.47863       1.541521  41.54798       2.281678  35.90114       2.090876  4.522858       2.492155  
1 1 1 -14 27 11 o 32.16949 1.202265  10.37569       0.7725368 9.801290       1.062066  11.02108       1.125780  -1.886196      2.404530  
1 1 1 -14 27 12 o 34.06587 0.9411961 11.19910       0.5459808 12.49444       1.148559  10.82094       0.6205804 2.394302       1.882392  
1 1 1 -14 27 13 o 28.47624 1.010770  8.384933       0.4793130 7.694669       0.9915736 8.595398       0.5475314 -1.636494      2.021540  
1 1 1 -14 27 14 o 44.80871 0.7513240 20.19690       0.6701791 19.14580       0.9804378 21.11875       0.9181757 -2.207645      1.502648  
1 1 1 -14 27 15 o 38.40053 0.8501541 14.71340       0.6501312 15.54047       0.9747584 14.05067       0.8725564 1.928249       1.700308  
1 1 1 -14 27 16 o 53.61263 0.9866861 28.85052       1.057793  28.15695       1.492370  29.55078       1.499547  -1.298950      1.973372  
1 1 1 -14 27 17 o 64.03569 1.103978  41.19938       1.413695  41.06185       2.013690  41.33303       1.985150  -0.2160110     2.207955  
1 1 1 -14 27 18 o 26.98435 0.7215788 7.029088       0.3821300 9.139513       0.6092124 5.660146       0.4906551 6.435362       1.443158  
1 1 1 -14 27 19 o 52.82024 0.7561275 27.89483       0.7974251 29.07672       1.169842  26.86903       1.089860  2.081478       1.512255  
1 1 1 -14 27 20 o 69.33098 0.8730584 48.13326       1.209138  49.79394       1.763365  46.65949       1.661167  2.247925       1.746117  
1 1 1 -14 27 21 f 48.95099 0.7356220 24.01735       0.7201155 23.70214       1.020568  24.32990       1.016240  -0.6416817     1.471244  
1 1 1 -14 27 22 o 42.09596 0.7175489 17.73569       0.6031780 18.14603       0.8818991 17.37501       0.8268085 0.9100113      1.435098  
1 1 1 -14 27 23 o 105.5556 1.196591  112.0794       2.526080  111.5081       3.557660  112.6603       3.587359  -0.5405121     2.393183  
1 1 1 -14 27 24 o 21.23502 0.8242151 4.515894       0.3485408 4.590621       0.5193805 4.454671       0.4701157 0.3139629      1.648430  
1 1 1 -14 27 25 o 34.02839 0.7217047 11.49761       0.4885816 12.69911       0.7386866 10.56320       0.6514279 3.128365       1.443409  
1 1 1 -14 27 26 o 47.71013 0.7540731 22.81838       0.7193891 23.10337       1.030094  22.54705       1.005106  0.5798416      1.508146  
1 1 1 -14 27 27 o 52.39534 0.7761309 27.53542       0.8132706 27.43150       1.154728  27.63771       1.145602  -0.1980209     1.552262  
1 1 1 -14 27 28 o 23.35882 1.376570  5.493758       0.6421332 5.765702       0.9402142 5.256022       0.8790912 1.076145       2.753139  
1 1 1 -14 27 29 o 22.20018 0.8690338 4.975706       0.3824735 4.699831       0.5707584 5.200560       0.5152841 -1.136246      1.738068  
1 1 1 -14 27 30 o 27.15680 0.8047701 7.396286       0.4345492 7.427486       0.6512503 7.371246       0.5834203 0.9369659E-01  1.609540  
1 1 1 -14 27 31 o 39.99408 0.7542376 15.99730       0.6016675 16.64904       0.8905994 15.45010       0.8160521 1.488255       1.508475  
1 1 1 -14 27 32 o 49.27386 0.7762341 24.14634       0.7608934 26.45074       1.150975  22.35741       1.014105  4.132645       1.552468  
1 1 1 -14 27 33 o 16.11806 1.111943  2.582379       0.3541267 2.827701       0.5540875 2.412975       0.4604373 1.265612       2.223886  
1 1 1 -14 27 34 o 22.94972 0.8977719 5.328159       0.4062264 5.064669       0.6206793 5.525601       0.5372843 -1.020231      1.795544  
1 1 1 -14 27 35 o 58.43717 0.8389106 34.23751       0.9788203 35.33734       1.434575  33.27950       1.338895  1.742832       1.677821  
1 1 1 -14 27 36 o 30.56251 0.8769056 9.409871       0.5342664 10.21944       0.7525060 8.586997       0.7586652 2.671854       1.753811  
1 1 1 -14 27 37 o 30.06907 1.074815  8.864446       0.6345677 10.40282       1.023235  7.903037       0.8089056 4.103514       2.149630  
1 1 1 -14 27 38 o 62.70154 1.189297  39.67717       1.488757  40.06760       2.175847  39.33348       2.041420  0.5463066      2.378593  
1 1 1 -14 27 39 o 7.627603 2.084766  0.4001031      0.4563262 0.1240306      0.7388914 0.5703222      0.5801940 -0.7534533     4.169532  
1 1 1 -14 27 40 o 25.39946 1.259427  6.550403       0.6226282 6.396057       0.9963790 6.649285       0.7975133 -0.5593395     2.518854  
1 1 1 -14 27 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 28 1  o 66.14522 0.8391892 43.70533       1.107625  46.33942       1.635573  41.47398       1.505354  3.662682       1.678378  
1 1 1 -14 28 2  o 51.59910 0.7321700 26.63008       0.7545859 25.75387       1.035253  27.62324       1.102180  -1.804668      1.464340  
1 1 1 -14 28 3  f 41.29369 0.6813859 17.03526       0.5619543 18.08021       0.8207320 16.11301       0.7710404 2.377312       1.362772  
1 1 1 -14 28 4  o 66.58794 0.8427054 44.39725       1.120915  43.23535       1.540363  45.70508       1.634224  -1.843651      1.685411  
1 1 1 -14 28 5  f 25.87205 0.6694739 6.620023       0.3441675 7.542290       0.5233924 5.917438       0.4568234 3.134066       1.338948  
1 1 1 -14 28 6  o 9.580578 1.146362  0.9044445      0.2116960 1.142476       0.3378882 0.7506311      0.2716141 2.164446       2.292723  
1 1 1 -14 28 7  o 36.73463 0.6593047 13.41971       0.4825309 14.69176       0.7216886 12.39130       0.6489033 3.124619       1.318609  
1 1 1 -14 28 8  f 12.70193 1.049551  1.550260       0.2381292 2.686239       0.3853535 0.8484962      0.3028796 7.331699       2.099102  
1 1 1 -14 28 9  f 22.55884 0.7083371 5.127043       0.3175676 4.781442       0.4660649 5.426557       0.4338773 -1.432970      1.416674  
1 1 1 -14 28 10 o 30.04053 0.7071556 9.119911       0.4211388 7.993693       0.6086341 10.15444       0.5833319 -3.598831      1.414311  
1 1 1 -14 28 11 o 20.25511 0.8534911 4.139530       0.3420569 3.924131       0.5153176 4.309187       0.4573387 -0.9573593     1.706982  
1 1 1 -14 28 12 o 21.08996 0.8412567 4.407337       0.3517923 4.857084       0.5423324 4.080632       0.4622317 1.831335       1.682513  
1 1 1 -14 28 13 o 22.41398 0.8487456 5.075404       0.3774256 4.653826       0.5549970 5.438110       0.5147888 -1.754366      1.697491  
1 1 1 -14 28 14 o 22.08129 0.7578325 4.828865       0.3324988 5.423755       0.5066125 4.378708       0.4406966 2.359159       1.515665  
1 1 1 -14 28 15 o 44.06826 0.7080988 19.43592       0.6235043 19.99499       0.9058910 18.93266       0.8594753 1.200535       1.416198  
1 1 1 -14 28 16 o 74.71165 0.9193968 55.65126       1.367482  52.45142       1.830443  59.69291       2.057176  -4.815811      1.838794  
1 1 1 -14 28 17 o 19.64019 1.228345  3.867867       0.4149046 3.854809       0.4772138 3.908308       0.8397958 -0.7320213E-01 2.456691  
1 1 1 -14 28 18 f 35.38090 0.9775246 11.78184       0.5950761 11.09513       0.6763258 14.13589       1.252207  -4.215019      1.955049  
1 1 1 -14 28 19 o 64.85094 1.278591  42.24894       1.655239  40.77074       2.258832  43.96321       2.432530  -2.427658      2.557183  
1 1 1 -14 28 20 f 30.80729 1.243234  9.570535       0.7647352 10.11492       1.075283  9.013373       1.087824  1.790262       2.486469  
1 1 1 -14 28 21 o 72.45325 1.353928  52.59706       1.953041  49.50127       2.614964  56.50243       2.937042  -4.759605      2.707856  
1 1 1 -14 28 22 f 71.70807 1.354319  51.86377       1.942001  53.14254       2.770157  50.62793       2.723253  1.742485       2.708637  
1 1 1 -14 28 23 o 33.07601 1.214624  10.78245       0.7929132 13.59287       1.218127  8.716149       1.044489  7.335184       2.429247  
1 1 1 -14 28 24 o 39.48256 1.183773  15.68878       0.9340579 16.56712       1.336992  14.85136       1.305486  2.166237       2.367545  
1 1 1 -14 28 25 o 68.90253 1.323601  47.74790       1.820990  50.45242       2.670261  45.39669       2.489743  3.626549       2.647202  
1 1 1 -14 28 26 o 24.99062 1.206566  6.259954       0.5790370 6.403133       0.9694103 6.180536       0.7219809 0.3924751      2.413133  
1 1 1 -14 28 27 o 75.55414 1.404569  57.67133       2.122401  57.95577       3.001473  57.38687       3.001582  0.3765106      2.809139  
1 1 1 -14 28 28 o 42.54706 0.9926730 18.61490       0.7730278 17.14597       1.383344  19.28189       0.9321502 -2.593540      1.985346  
1 1 1 -14 28 29 o 58.33694 1.049926  33.85957       1.120668  35.19382       2.070325  33.30660       1.332814  1.466476       2.099852  
1 1 1 -14 28 30 o 33.06567 1.046454  10.99112       0.5973803 11.02201       1.199992  10.98094       0.6887974 -0.4175568E-01 2.092908  
1 1 1 -14 28 31 f 43.51318 1.003124  18.39341       0.7669153 20.43428       1.537136  17.71701       0.8849240 2.984558       2.006248  
1 1 1 -14 28 32 o 8.809624 2.129464  0.7222344      0.3814793 0.6117358      0.9159234 0.7454255      0.4196059 0.7344732      4.258928  
1 1 1 -14 28 33 o 20.69569 1.406494  4.248168       0.5150309 4.526276       1.010399  4.150544       0.5986403 0.7829685      2.812989  
1 1 1 -14 28 34 o 41.43791 1.115043  16.65964       0.8756577 19.32474       1.548502  15.40676       1.061716  4.604225       2.230086  
1 1 1 -14 28 35 o 11.08580 3.849997  0.000000       0.000000  ?              ?         1.186672       1.045838  ?              ?         
1 1 1 -14 28 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 28 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 28 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 29 1  o 26.95429 0.6587697 7.277588       0.3549383 6.949418       0.4979476 7.616549       0.5060682 -1.236694      1.317539  
1 1 1 -14 29 2  o 85.25174 1.005035  72.95749       1.712856  71.75401       2.380080  74.25043       2.466944  -1.450768      2.010071  
1 1 1 -14 29 3  o 39.30714 0.6840103 15.48277       0.5376802 15.70341       0.7596815 15.26130       0.7611099 0.5625420      1.368021  
1 1 1 -14 29 4  f 68.02389 0.8609561 46.35820       1.170135  45.13802       1.611768  47.71806       1.701519  -1.884750      1.721912  
1 1 1 -14 29 5  o 13.31785 0.8903558 1.749945       0.2347338 1.990248       0.3652402 1.580844       0.3063882 1.529148       1.780712  
1 1 1 -14 29 6  o 58.67073 0.8446301 34.53662       0.9843549 34.44410       1.479858  34.61004       1.318285  -0.1619110     1.689260  
1 1 1 -14 29 7  o 47.97184 0.8973711 23.07522       0.8606390 22.26936       1.199786  23.92941       1.235243  -1.725441      1.794742  
1 1 1 -14 29 8  o 32.72204 0.7841040 10.65793       0.5099810 11.40827       0.7743756 10.08324       0.6776984 2.013210       1.568208  
1 1 1 -14 29 9  o 42.38245 0.8478339 17.94298       0.7159834 18.85364       1.068962  17.20203       0.9642256 1.934940       1.695668  
1 1 1 -14 29 10 o 31.07045 0.6813387 9.676925       0.4229279 9.113738       0.5957102 10.24928       0.6005399 -1.826859      1.362677  
1 1 1 -14 29 11 f 26.53192 0.6983296 7.059768       0.3675970 5.930280       0.5105098 8.275972       0.5297447 -4.418432      1.396659  
1 1 1 -14 29 12 o 34.48195 0.6847658 11.91604       0.4721667 11.66313       0.6673388 12.16956       0.6681508 -0.7342453     1.369532  
1 1 1 -14 29 13 o 19.45257 0.8263275 3.886468       0.3108284 2.766920       0.4415869 4.985870       0.4375957 -5.704006      1.652655  
1 1 1 -14 29 14 o 14.30390 0.9822239 2.104874       0.2737034 1.770772       0.4157290 2.360486       0.3636315 -2.069660      1.964448  
1 1 1 -14 29 15 o 16.30509 0.9229043 2.713005       0.2952996 2.388062       0.4462844 2.966075       0.3938471 -1.780565      1.845809  
1 1 1 -14 29 16 o 27.12617 0.7216771 7.380084       0.3897033 7.344407       0.5790171 7.409627       0.5269085 -0.1266937     1.443354  
1 1 1 -14 29 17 o 36.61430 0.6988310 13.44834       0.5111306 13.20975       0.7373003 13.66909       0.7092133 -0.6306839     1.397662  
1 1 1 -14 29 18 o 22.18748 0.7918943 4.893922       0.3495892 5.382387       0.5282180 4.513208       0.4663327 1.950083       1.583789  
1 1 1 -14 29 19 o 35.15838 0.7071276 12.39552       0.4965650 12.32013       0.7199383 12.46393       0.6858026 -0.2087631     1.414255  
1 1 1 -14 29 20 o 65.76721 0.8593332 43.16634       1.126477  40.52223       1.518390  46.40323       1.679997  -4.446541      1.718666  
1 1 1 -14 29 21 o 32.22905 0.7235314 10.43832       0.4652990 9.845765       0.6673266 10.99897       0.6491155 -1.791409      1.447063  
1 1 1 -14 29 22 o 30.69565 0.7336490 9.414412       0.4493699 9.939252       0.6634590 8.969563       0.6108105 1.572533       1.467298  
1 1 1 -14 29 23 o 63.05604 0.8486263 39.89322       1.069905  40.63905       1.536018  39.19035       1.491129  1.141647       1.697253  
1 1 1 -14 29 24 o 25.70360 0.7878258 6.623205       0.4031294 6.689815       0.6009997 6.568721       0.5435426 0.2268333      1.575652  
1 1 1 -14 29 25 o 40.64710 0.9918609 17.02321       0.7263867 15.65086       1.334341  17.60119       0.8659424 -2.487965      1.983722  
1 1 1 -14 29 26 o 17.94487 0.9921095 3.141177       0.3505835 3.866068       0.5570944 2.665863       0.4511104 3.323086       1.984219  
1 1 1 -14 29 27 o 65.23279 0.8694271 42.72185       1.134036  41.70143       1.583832  43.79532       1.624477  -1.597603      1.738854  
1 1 1 -14 29 28 o 16.75730 1.052432  2.813812       0.3502105 2.938782       0.5324651 2.718537       0.4649225 0.6414261      2.104864  
1 1 1 -14 29 29 o 8.543279 1.743809  0.7482055      0.3104232 0.8395561      0.4877262 0.6860014      0.4024669 0.8417854      3.487618  
1 1 1 -14 29 30 o 36.93952 0.8245307 13.70425       0.6067473 13.71389       0.8225408 13.69275       0.8986412 0.4248047E-01  1.649061  
1 1 1 -14 29 31 o 18.35641 1.154539  3.382326       0.4157553 4.361738       0.6142263 2.554165       0.5648108 4.910743       2.309078  
1 1 1 -14 29 32 o 20.72229 1.194027  4.349724       0.4859453 4.256071       0.7583064 4.414984       0.6330025 -0.4187508     2.388054  
1 1 1 -14 29 33 o 9.799569 1.784217  0.6949085      0.4096246 2.033026       0.6911801 -0.2951409E-01 0.5085576 8.169035       3.568434  
1 1 1 -14 29 34 f 39.83298 1.029405  16.01076       0.8168872 14.29785       1.148644  17.76366       1.161977  -4.347046      2.058809  
1 1 1 -14 29 35 o 13.40998 1.865868  1.807177       0.4700890 2.345229       0.7847764 1.506079       0.5870672 2.981808       3.731735  
1 1 1 -14 29 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 30 1  f 29.32383 0.6731347 8.588099       0.3936001 7.705223       0.5408139 9.582409       0.5739301 -3.196857      1.346269  
1 1 1 -14 30 2  o 59.48897 0.9257737 35.23059       1.062223  36.70055       1.768187  34.40055       1.328703  1.861801       1.851547  
1 1 1 -14 30 3  o 47.63369 0.9008405 22.23271       0.8463152 19.58918       1.091626  26.21554       1.339916  -6.916039      1.801681  
1 1 1 -14 30 4  o 74.65613 1.219920  56.11522       1.820715  55.04814       2.530390  57.26079       2.621802  -1.462242      2.439841  
1 1 1 -14 30 5  o 58.10943 0.9165621 32.50553       0.9999146 30.09497       1.200900  37.95428       1.805494  -6.665047      1.833124  
1 1 1 -14 30 6  o 28.30260 0.6801006 8.041984       0.3836702 7.244388       0.5402688 8.853445       0.5449446 -2.842039      1.360201  
1 1 1 -14 30 7  o 49.11382 0.7370905 24.18441       0.7239780 23.96913       1.016676  24.40587       1.031197  -0.4427376     1.474181  
1 1 1 -14 30 8  o 20.09997 0.7578234 4.084142       0.3018951 3.515364       0.4322685 4.625735       0.4218117 -2.763506      1.515647  
1 1 1 -14 30 9  o 26.39769 0.6912500 7.012067       0.3635004 6.542510       0.5258370 7.441817       0.5030541 -1.706154      1.382500  
1 1 1 -14 30 10 o 18.31921 0.7874476 3.245154       0.2830138 4.261760       0.4492542 2.576254       0.3644152 4.588631       1.574895  
1 1 1 -14 30 11 o 30.40197 0.6886327 9.278274       0.4180388 8.746036       0.5946929 9.798173       0.5877602 -1.731218      1.377265  
1 1 1 -14 30 12 o 16.75546 0.8722749 2.883214       0.2854758 2.389702       0.4272064 3.281392       0.3837314 -2.667468      1.744550  
1 1 1 -14 30 13 o 50.78494 0.7510376 25.86341       0.7627710 25.91354       1.085852  25.81458       1.071728  0.9555817E-01  1.502075  
1 1 1 -14 30 14 o 22.55793 0.7708930 5.171814       0.3415993 4.084871       0.4857416 6.235383       0.4804902 -4.767349      1.541786  
1 1 1 -14 30 15 o 10.12758 1.323349  1.062060       0.2560055 1.015695       0.4049454 1.092928       0.3304119 -0.5869198     2.646697  
1 1 1 -14 30 16 o 50.22022 0.7573862 25.27134       0.7603378 24.26812       1.057727  26.34402       1.093737  -2.061821      1.514772  
1 1 1 -14 30 17 o 22.68596 0.7772183 5.155546       0.3494819 5.217360       0.5324237 5.108750       0.4632491 0.2293835      1.554437  
1 1 1 -14 30 18 o 54.30823 0.7785387 29.55869       0.8451700 28.47409       1.173434  30.72788       1.218332  -2.068333      1.557077  
1 1 1 -14 30 19 o 38.58612 0.7200713 14.92653       0.5546950 13.73999       0.7750627 16.17240       0.7942017 -3.149239      1.440143  
1 1 1 -14 30 20 o 37.51165 0.7144886 14.11462       0.5354892 14.04154       0.7738539 14.18177       0.7417576 -0.1914597     1.428977  
1 1 1 -14 30 21 o 36.59052 0.7223207 13.34595       0.5263938 14.30704       0.7896174 12.57718       0.7062123 2.351780       1.444641  
1 1 1 -14 30 22 o 23.97588 0.7963452 5.801844       0.3786452 5.482260       0.5642576 6.063646       0.5107082 -1.221064      1.592690  
1 1 1 -14 30 23 o 13.37400 1.159114  1.751719       0.3054164 2.133788       0.4848503 1.500387       0.3932429 2.345349       2.318229  
1 1 1 -14 30 24 o 21.28080 1.334752  4.285098       0.5009502 3.986634       0.5756434 5.216527       1.016909  -2.759525      2.669504  
1 1 1 -14 30 25 f 11.48347 1.433507  1.259581       0.3097736 2.339130       0.5064997 0.6144722      0.3915387 7.489498       2.867014  
1 1 1 -14 30 26 o 40.31921 0.8073530 16.32931       0.6497017 16.43234       0.8922913 16.21305       0.9478580 0.2818489      1.614706  
1 1 1 -14 30 27 o 21.94958 0.9591819 4.832179       0.4200023 5.345147       0.6105824 4.371464       0.5786493 2.211094       1.918364  
1 1 1 -14 30 28 o 22.72928 1.093521  5.267623       0.4846160 4.913031       0.7618262 5.508637       0.6280771 -1.343876      2.187043  
1 1 1 -14 30 29 o 25.38687 1.042595  6.495201       0.5256392 6.475428       0.7909107 6.510845       0.7034792 -0.9188843E-01 2.085190  
1 1 1 -14 30 30 o 6.184005 1.825220  0.4927516E-01  0.3676490 0.2731590      0.5995010 -0.8567856E-01 0.4654478 1.747142       3.650441  
1 1 1 -14 30 31 o 27.23540 1.050923  7.516374       0.5658169 7.174870       0.8571265 7.780130       0.7532683 -1.137856      2.101846  
1 1 1 -14 30 32 o 38.82402 1.033527  15.23099       0.7967636 14.77374       1.190324  15.60218       1.072458  -1.096863      2.067055  
1 1 1 -14 30 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 31 1  f 32.43872 1.012962  10.55302       0.6571836 10.55302       0.6571836 ?              ?         ?              ?         
1 1 1 -14 31 2  o 24.07424 2.737269  6.327530       1.224107  7.008994       1.575472  5.289452       1.944484  4.140785       5.474537  
1 1 1 -14 31 3  o 61.91233 1.730284  39.56247       1.983600  40.61480       2.409246  37.34801       3.494924  2.998825       3.460568  
1 1 1 -14 31 4  f 23.50962 1.335456  6.521866       0.4943461 4.019327       0.9754669 7.386688       0.5734367 -7.253611      2.670912  
1 1 1 -14 31 5  o 27.55253 0.7060744 7.612026       0.3890248 7.794225       0.5523701 7.432710       0.5479842 0.6554413      1.412149  
1 1 1 -14 31 6  o 28.49699 0.7030584 8.137502       0.4004327 8.569195       0.5738046 7.727683       0.5590773 1.474466       1.406117  
1 1 1 -14 31 7  o 39.09059 0.7315793 15.34606       0.5707530 15.67928       0.7872483 14.97684       0.8286777 0.9044228      1.463159  
1 1 1 -14 31 8  f 43.55711 0.7456996 19.06570       0.6483824 20.11299       0.9084758 17.97840       0.9256682 2.452850       1.491399  
1 1 1 -14 31 9  o 36.05075 0.7255213 13.04699       0.5225950 13.42935       0.7303888 12.64591       0.7480495 1.089100       1.451043  
1 1 1 -14 31 10 o 18.66811 0.8425897 3.538764       0.3099506 2.869669       0.4413766 4.189736       0.4353582 -3.536612      1.685179  
1 1 1 -14 31 11 f 14.54699 0.9829336 2.105510       0.2841379 2.323294       0.4328723 1.940637       0.3766349 1.304255       1.965867  
1 1 1 -14 31 12 o 44.26508 0.7257683 19.63790       0.6422898 19.01768       0.8948488 20.29697       0.9224498 -1.441051      1.451537  
1 1 1 -14 31 13 o 41.93886 0.7215599 17.48986       0.6025111 15.56293       0.8122061 19.84782       0.8984677 -5.096077      1.443120  
1 1 1 -14 31 14 o 59.38785 0.8113977 35.35245       0.9628213 36.46921       1.399375  34.34853       1.326792  1.773643       1.622795  
1 1 1 -14 31 15 f 83.84410 1.005458  70.44492       1.681698  67.25297       2.280910  74.24672       2.489289  -4.128159      2.010916  
1 1 1 -14 31 16 o 52.33049 0.7693247 27.44316       0.8043085 28.23955       1.170737  26.73128       1.106875  1.430878       1.538649  
1 1 1 -14 31 17 o 30.72071 0.7414129 9.513512       0.4531940 8.538056       0.6478627 10.44821       0.6341823 -3.111069      1.482826  
1 1 1 -14 31 18 o 29.27601 0.7336650 8.599268       0.4281047 8.606591       0.6322160 8.593064       0.5817860 0.1489258E-01  1.467330  
1 1 1 -14 31 19 o 11.26983 1.381536  1.296163       0.3002895 1.660021       0.4462152 0.9949679      0.4059779 3.106302       2.763072  
1 1 1 -14 31 20 o 18.15089 0.9560078 3.342001       0.3439566 2.926242       0.4969962 3.724185       0.4765067 -2.202381      1.912016  
1 1 1 -14 31 21 o 18.19089 0.9868496 3.273620       0.3552026 4.031832       0.5395180 2.693532       0.4719082 3.663830       1.973699  
1 1 1 -14 31 22 o 9.881755 3.513192  0.8929245      0.8753207 0.8929245      0.8753207 ?              ?         ?              ?         
1 1 1 -14 31 23 o 36.77712 0.8665870 13.58927       0.6373067 13.47753       0.8918322 13.70587       0.9110506 -0.3066254     1.733174  
1 1 1 -14 31 24 o 47.84604 0.9922203 22.92320       0.9466529 20.72121       1.290697  25.48680       1.392648  -4.956322      1.984441  
1 1 1 -14 31 25 o 17.24785 1.203133  2.915605       0.4074528 3.485199       0.6573627 2.560248       0.5192225 2.640514       2.406266  
1 1 1 -14 31 26 o 31.06836 0.9554998 9.796231       0.5881317 8.951653       0.8691943 10.50946       0.7987514 -2.523945      1.911000  
1 1 1 -14 31 27 o 23.33195 1.113058  5.621153       0.5044825 4.827775       0.7786552 6.195105       0.6622815 -2.961607      2.226116  
1 1 1 -14 31 28 o 34.82876 0.9712697 12.23372       0.6726125 11.97189       1.000953  12.44929       0.9082286 -0.7073174     1.942539  
1 1 1 -14 31 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 32 1  o 42.83219 0.8501413 18.41242       0.7278329 18.88592       1.051723  17.97723       1.008274  1.052608       1.700283  
1 1 1 -14 32 2  o 72.88832 1.200335  53.60650       1.749807  53.54393       2.473014  53.66923       2.476192  -0.8511353E-01 2.400671  
1 1 1 -14 32 3  o 46.12806 0.8985903 21.36053       0.8284817 22.13040       1.197715  20.65420       1.147216  1.590038       1.797181  
1 1 1 -14 32 4  o 31.77467 0.7757531 10.15200       0.4916200 10.40455       0.6757330 9.868009       0.7165746 0.8513260      1.551506  
1 1 1 -14 32 5  o 64.66358 1.019762  42.15617       1.310082  42.71107       1.761093  41.46860       1.960357  1.005890       2.039524  
1 1 1 -14 32 6  o 70.11330 1.085750  49.26661       1.496935  48.15684       1.937049  50.91203       2.358642  -1.863045      2.171500  
1 1 1 -14 32 7  o 9.267220 1.436582  0.8460371      0.2564187 1.247633       0.4181558 0.6040187      0.3246146 3.338046       2.873164  
1 1 1 -14 32 8  o 25.93459 0.7660658 6.759385       0.3967414 7.154655       0.5591826 6.358713       0.5629910 1.535166       1.532132  
1 1 1 -14 32 9  o 12.98173 1.658001  1.699796       0.4304743 1.699796       0.4304743 ?              ?         ?              ?         
1 1 1 -14 32 10 o 25.60589 2.116778  6.648561       1.084040  6.648561       1.084040  ?              ?         ?              ?         
1 1 1 -14 32 11 o 20.51980 2.481453  4.291513       1.018378  4.291513       1.018378  ?              ?         ?              ?         
1 1 1 -14 32 12 o 10.08388 3.038217  0.1718119      1.053079  0.2857375      1.329692  -0.1987294E-01 1.724782  -0.6687307     6.076435  
1 1 1 -14 32 13 o 42.36939 1.372713  17.75915       0.8693790 18.78098       2.145080  17.55832       0.9509845 1.102180       2.745427  
1 1 1 -14 32 14 o 55.59914 0.9595493 30.02920       1.033036  27.16482       1.283922  35.28775       1.739630  -7.207485      1.919099  
1 1 1 -14 32 15 o 34.14014 0.8272626 11.68181       0.5642274 12.43502       0.8183659 10.99939       0.7789674 2.095226       1.654525  
1 1 1 -14 32 16 o 37.07163 0.8284273 13.79282       0.6138141 13.51882       0.8496742 14.09190       0.8877023 -0.7657585     1.656855  
1 1 1 -14 32 17 o 40.22823 0.8980306 16.27030       0.7208753 16.24121       1.055147  16.29577       0.9871867 -0.8192444E-01 1.796061  
1 1 1 -14 32 18 o 34.81028 0.8830054 11.91902       0.6067215 13.83213       0.9572414 10.63439       0.7844067 4.557079       1.766011  
1 1 1 -14 32 19 o 7.730408 1.520540  0.5847586      0.3184709 -0.3628193     0.5237199 1.140743       0.4011650 -5.425209      3.041080  
1 1 1 -14 32 20 o 15.34462 1.245248  2.373540       0.3680384 2.405447       0.6103548 2.355310       0.4613466 0.1175499      2.490496  
1 1 1 -14 32 21 o 28.94817 0.9347711 8.410905       0.5338357 8.560902       0.8291737 8.304716       0.6976604 0.4115276      1.869542  
1 1 1 -14 32 22 o 58.08410 1.080157  34.03090       1.254152  33.24875       1.788242  34.78801       1.759387  -1.332760      2.160315  
1 1 1 -14 32 23 o 10.62466 1.754567  1.137355       0.3536582 1.436335       0.6036223 0.9810785      0.4364058 1.993208       3.509134  
1 1 1 -14 32 24 o 36.16997 0.9404237 13.06471       0.6737581 13.85214       1.038805  12.49294       0.8851982 1.843220       1.880847  
1 1 1 -14 32 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 33 1  o 49.66763 0.9228778 24.75453       0.9153816 23.67514       1.253440  25.98811       1.339979  -2.308372      1.845756  
1 1 1 -14 33 2  f 17.70440 0.9158959 3.154515       0.3240922 3.104682       0.4646337 3.201735       0.4522868 -0.2769165     1.831792  
1 1 1 -14 33 3  o 25.52666 0.8080688 6.514005       0.4114519 7.001276       0.6094881 6.106003       0.5577145 1.743219       1.616138  
1 1 1 -14 33 4  o 17.76566 0.8745904 3.276246       0.3006815 2.570221       0.4516666 3.838175       0.4029473 -3.578783      1.749181  
1 1 1 -14 33 5  o 35.44283 0.8043567 12.57952       0.5680076 13.04690       0.8469225 12.19743       0.7657633 1.182297       1.608713  
1 1 1 -14 33 6  o 44.45508 0.8757330 19.78396       0.7758858 20.83251       1.156811  18.92657       1.046064  2.119808       1.751466  
1 1 1 -14 33 7  o 22.05012 0.8326675 4.825633       0.3641931 5.348770       0.5605336 4.443464       0.4790950 2.036118       1.665335  
1 1 1 -14 33 8  o 48.61309 0.9231882 23.44346       0.8888315 26.10412       1.378900  21.55208       1.162594  4.632500       1.846376  
1 1 1 -14 33 9  o 23.06747 0.8481249 5.348835       0.3881390 5.341187       0.5869941 5.354776       0.5173932 -0.4409409E-01 1.696250  
1 1 1 -14 33 10 o 36.47263 0.8409500 13.35517       0.6120228 12.14293       0.8510171 14.65378       0.8808135 -3.435848      1.681900  
1 1 1 -14 33 11 o 27.49334 0.8476294 7.603932       0.4590857 5.961072       0.6327175 9.430408       0.6671396 -6.302170      1.695259  
1 1 1 -14 33 12 o 15.13451 1.079268  2.186229       0.3174762 3.061572       0.5191025 1.663174       0.4012706 4.587908       2.158536  
1 1 1 -14 33 13 o 33.77273 0.8450148 11.23521       0.5634655 12.90528       0.8877568 10.10853       0.7291666 4.106741       1.690030  
1 1 1 -14 33 14 o 62.86505 1.098561  39.82382       1.379577  40.50531       2.007427  39.21389       1.899108  0.9974365      2.197123  
1 1 1 -14 33 15 o 39.46929 0.8901531 15.68082       0.7017052 14.77794       0.9944480 16.57615       0.9902869 -2.278893      1.780306  
1 1 1 -14 33 16 o 75.11169 1.255244  57.03420       1.885507  56.78744       2.680690  57.27583       2.652553  -0.3337250     2.510489  
1 1 1 -14 33 17 f 47.89236 0.9581487 23.09267       0.9171631 22.75144       1.315087  23.41582       1.279763  -0.7019005     1.916297  
1 1 1 -14 33 18 o 50.73026 0.9902050 25.90741       1.003780  26.03814       1.451983  25.78775       1.389216  0.2313614      1.980410  
1 1 1 -14 33 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 34 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 34 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 34 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 34 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -14 34 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 0  1  o 26.62982 0.7284415 7.117895       0.3865273 6.841743       0.5387495 7.410820       0.5548711 -0.000000      0.000000  
1 1 1 -13 0  2  o 71.29417 1.168965  50.89416       1.664500  49.82373       2.327430  52.01482       2.381415  -0.000000      0.000000  
1 1 1 -13 0  3  o 29.38964 0.7352316 8.659542       0.4307021 8.278520       0.5978188 9.070761       0.6210551 -0.000000      0.000000  
1 1 1 -13 0  4  o 347.5770 5.114227  1210.837       35.51528  1218.165       50.56142  1203.699       49.89755  -0.000000      0.000000  
1 1 1 -13 0  5  o 147.0630 2.205154  216.5628       6.478312  214.2959       9.060867  218.9334       9.266009  -0.000000      0.000000  
1 1 1 -13 0  6  o 118.7254 1.810753  141.1588       4.294906  140.0777       6.031568  142.2708       6.117166  -0.000000      0.000000  
1 1 1 -13 0  7  f 168.3810 2.523594  283.7128       8.484364  277.1519       11.74166  290.8813       12.27340  -0.000000      0.000000  
1 1 1 -13 0  8  o 28.69859 0.7418755 8.163198       0.4214771 7.009681       0.5630367 9.633511       0.6356677 -0.000000      0.000000  
1 1 1 -13 0  9  o 40.46933 1.009786  15.18623       0.7233453 19.19700       1.464852  13.89287       0.8318378 -0.000000      0.000000  
1 1 1 -13 0  10 o 323.5699 4.764473  1049.230       30.80036  1056.940       43.90516  1041.759       43.21949  -0.000000      0.000000  
1 1 1 -13 0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 0  12 o 445.4650 6.550056  1989.136       58.25721  2032.516       84.34473  1949.560       80.56168  -0.000000      0.000000  
1 1 1 -13 0  13 o 210.7446 3.124190  444.9249       13.15523  444.6424       18.60309  445.2076       18.60552  -0.000000      0.000000  
1 1 1 -13 0  14 f 20.49069 0.8242479 4.241939       0.3352771 4.333320       0.4692992 4.146676       0.4791613 -0.000000      0.000000  
1 1 1 -13 0  15 o 42.00441 1.167980  17.68524       0.9795288 17.68524       0.9795288 17.68524       0.9795288 -0.000000      0.000000  
1 1 1 -13 0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 0  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 0  19 o 154.1181 3.275276  237.9390       10.08544  237.9390       10.08544  237.9390       10.08544  -0.000000      0.000000  
1 1 1 -13 0  20 o 28.18760 1.128200  7.983929       0.6338151 7.983929       0.6338151 7.983929       0.6338151 -0.000000      0.000000  
1 1 1 -13 0  21 f 133.0096 2.013785  176.7525       5.339709  170.6287       7.267109  183.9382       7.872098  -0.000000      0.000000  
1 1 1 -13 0  22 f 212.6544 3.155663  453.2463       13.40802  452.1919       18.91364  454.3116       19.01035  -0.000000      0.000000  
1 1 1 -13 0  23 o 196.2395 2.920210  385.8646       11.44730  390.3734       16.39890  381.5797       15.98682  -0.000000      0.000000  
1 1 1 -13 0  24 o 31.52437 0.8335381 9.913394       0.5220626 11.07777       0.7737439 8.940314       0.7073336 -0.000000      0.000000  
1 1 1 -13 0  25 f 157.2002 2.368232  247.5760       7.437039  249.4011       10.62748  245.8244       10.41098  -0.000000      0.000000  
1 1 1 -13 0  26 o 37.97235 0.8430766 14.45402       0.6386884 14.89238       0.9160743 14.03939       0.8909341 -0.000000      0.000000  
1 1 1 -13 0  27 o 116.8368 1.795731  136.6512       4.189490  133.7527       5.810312  139.7901       6.046407  -0.000000      0.000000  
1 1 1 -13 0  28 o 95.73780 1.507808  91.80326       2.883562  90.74622       4.040428  92.90053       4.116584  -0.000000      0.000000  
1 1 1 -13 0  29 o 184.4866 2.753968  341.1334       10.15072  343.1031       14.44956  339.2144       14.26283  -0.000000      0.000000  
1 1 1 -13 0  30 o 111.0704 1.718296  123.5384       3.811402  125.5276       5.484962  121.6811       5.300064  -0.000000      0.000000  
1 1 1 -13 0  31 o 37.82837 0.8922445 14.35759       0.6733536 14.52791       0.9586909 14.19177       0.9459680 -0.000000      0.000000  
1 1 1 -13 0  32 o 68.56493 1.171670  47.09928       1.604499  47.51964       2.286735  46.69163       2.251874  -0.000000      0.000000  
1 1 1 -13 0  33 o 54.99653 1.026400  30.30075       1.126948  29.59444       1.573119  31.04535       1.615205  -0.000000      0.000000  
1 1 1 -13 0  34 o 26.05173 0.9552823 6.844666       0.4945154 6.519868       0.6969833 7.173914       0.7017419 -0.000000      0.000000  
1 1 1 -13 0  35 o 112.9916 1.755280  127.9050       3.961478  125.8061       5.530693  130.1165       5.676920  -0.000000      0.000000  
1 1 1 -13 0  36 o 63.79453 1.125208  40.77306       1.433323  41.49575       2.054527  40.08780       2.000599  -0.000000      0.000000  
1 1 1 -13 0  37 o 77.91757 1.294202  60.75555       2.012411  58.86203       2.772617  62.86362       2.925490  -0.000000      0.000000  
1 1 1 -13 0  38 o 224.2338 3.344781  505.6162       14.98184  499.5693       20.91642  511.9871       21.46946  -0.000000      0.000000  
1 1 1 -13 0  39 o 42.70766 0.9396879 18.28741       0.8005117 18.66880       1.154806  17.93463       1.110672  -0.000000      0.000000  
1 1 1 -13 0  40 o 64.56053 1.139148  41.77895       1.468527  42.10165       2.102161  41.47137       2.052357  -0.000000      0.000000  
1 1 1 -13 0  41 o 97.32921 1.546759  94.99949       3.007150  95.80932       4.292858  94.21925       4.213750  -0.000000      0.000000  
1 1 1 -13 0  42 o 44.57459 0.9685944 19.93593       0.8616254 20.04088       1.227818  19.83410       1.209434  -0.000000      0.000000  
1 1 1 -13 0  43 f 7.858746 2.136923  0.8302993      0.3717156 0.3706639      0.5206864 1.308019       0.5308307 -0.000000      0.000000  
1 1 1 -13 0  44 o 11.39199 1.975223  1.525365       0.3896177 1.819944       0.5525447 1.234052       0.5494735 -0.000000      0.000000  
1 1 1 -13 0  45 o 22.75529 1.076033  5.252030       0.4851151 5.095543       0.6829790 5.411369       0.6891755 -0.000000      0.000000  
1 1 1 -13 0  46 o 16.83414 1.305491  2.939880       0.4300862 3.046621       0.6104181 2.834654       0.6060725 -0.000000      0.000000  
1 1 1 -13 0  47 o 42.38126 0.9824792 18.03696       0.8305290 18.05409       1.190316  18.02072       1.159385  -0.000000      0.000000  
1 1 1 -13 0  48 o 84.63066 1.403419  71.88753       2.372172  70.76901       3.319084  73.05545       3.391606  -0.000000      0.000000  
1 1 1 -13 0  49 o 13.80845 1.694240  2.094335       0.4168056 1.707553       0.5856645 2.491287       0.5933142 -0.000000      0.000000  
1 1 1 -13 0  50 o 16.79356 1.447055  2.949972       0.4738021 2.829170       0.6598268 3.078568       0.6807789 -0.000000      0.000000  
1 1 1 -13 0  51 o 53.91173 1.100116  29.18574       1.183830  28.51598       1.661302  29.87669       1.687379  -0.000000      0.000000  
1 1 1 -13 0  52 o 11.65060 2.273785  1.682188       0.4703208 2.173354       0.6661310 1.193950       0.6641417 -0.000000      0.000000  
1 1 1 -13 0  53 o 25.40874 1.167592  6.558641       0.5876961 6.712209       0.8212105 6.397423       0.8414133 -0.000000      0.000000  
1 1 1 -13 0  54 f 8.097681 2.581049  0.9596088      0.4442883 0.9727064      0.6584499 0.9486614      0.6019779 -0.000000      0.000000  
1 1 1 -13 0  55 o 25.20725 1.225106  6.465237       0.6114284 6.377734       0.8741885 6.549039       0.8554952 -0.000000      0.000000  
1 1 1 -13 0  56 o 68.24692 1.262435  46.82638       1.719794  47.38043       2.474409  46.30863       2.391996  -0.000000      0.000000  
1 1 1 -13 0  57 f 5.232120 2.367851  0.1075374      0.5327782 0.2855394      0.6393029 -0.2971408     0.9639381 -0.000000      0.000000  
1 1 1 -13 0  58 o 6.350410 3.846435  0.4276276      0.8822330 0.4276276      0.8822330 0.4276276      0.8822330 -0.000000      0.000000  
1 1 1 -13 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 1  1  o 502.2767 5.217661  2524.621       52.34246  2456.346       71.81226  2602.004       76.45226  -14.42712      10.43532  
1 1 1 -13 1  2  f 387.3592 4.020004  1502.477       31.14367  1503.352       44.08665  1501.605       44.00107  0.2245789      8.040009  
1 1 1 -13 1  3  f 392.3035 4.072158  1540.048       31.93192  1570.289       46.10753  1512.175       44.26585  7.385254       8.144316  
1 1 1 -13 1  4  o 486.2292 5.055862  2368.475       49.15814  2399.165       70.29787  2339.106       68.76759  6.154053       10.11172  
1 1 1 -13 1  5  o 282.2487 2.936401  796.6684       16.56656  811.9719       23.91373  782.5466       22.97194  5.204865       5.872802  
1 1 1 -13 1  6  o 308.7780 3.209449  953.7439       19.81157  938.8948       27.53769  969.6756       28.52392  -4.975342      6.418899  
1 1 1 -13 1  7  o 129.6862 1.384326  167.3602       3.575631  177.1758       5.358003  159.4790       4.801117  6.820717       2.768652  
1 1 1 -13 1  8  f 421.8400 4.381771  1776.520       36.86569  1709.904       49.96208  1856.140       54.62078  -17.27435      8.763541  
1 1 1 -13 1  9  o 528.7413 7.783538  2802.285       82.11366  2708.672       111.6375  2912.630       121.2040  -19.06891      15.56708  
1 1 1 -13 1  10 o 59.08229 0.7226231 34.75104       0.8513733 32.94998       1.151352  36.92402       1.264655  -3.362896      1.445246  
1 1 1 -13 1  11 o 314.1591 3.944875  1001.566       24.06310  929.5709       38.22428  1048.827       30.97001  -19.06802      7.889750  
1 1 1 -13 1  12 o 396.4570 8.268276  1578.648       65.45256  1532.620       89.55109  1631.436       95.90278  -12.29202      16.53655  
1 1 1 -13 1  13 f 488.0742 7.183040  2394.008       70.11618  2390.690       98.87548  2397.364       99.44550  -0.6697693     14.36608  
1 1 1 -13 1  14 o 303.8248 4.471318  924.1263       27.14819  904.7789       37.50695  945.4171       39.34571  -6.657990      8.942636  
1 1 1 -13 1  15 o 369.1962 5.438268  1364.712       40.08447  1411.794       58.81622  1323.878       54.77526  11.82126       10.87654  
1 1 1 -13 1  16 o 130.8758 1.696077  173.1798       4.267988  178.3404       5.387659  164.4847       6.993385  5.304688       3.392153  
1 1 1 -13 1  17 o 142.9168 1.520436  203.9511       4.339822  210.8319       6.343065  197.8955       5.950588  4.523178       3.040873  
1 1 1 -13 1  18 o 230.7275 2.601925  534.1002       11.94007  545.7271       16.15969  520.1201       17.71954  5.568878       5.203850  
1 1 1 -13 1  19 o 85.85555 1.183202  72.80598       1.884849  71.31373       2.263543  76.18060       3.403934  -2.827385      2.366404  
1 1 1 -13 1  20 o 121.7542 1.851323  148.3218       4.508124  148.4227       6.379545  148.2212       6.371362  0.8263397E-01  3.702645  
1 1 1 -13 1  21 o 80.71582 1.292189  65.16953       2.086000  65.16612       2.951303  65.17293       2.948799  -0.4234314E-02 2.584377  
1 1 1 -13 1  22 o 172.1650 2.570440  296.4330       8.841552  304.2378       12.85982  289.4365       12.17588  4.286438       5.140880  
1 1 1 -13 1  23 f 115.0111 1.521352  132.9759       3.327459  130.2795       5.633728  134.4205       4.123546  -1.817650      3.042704  
1 1 1 -13 1  24 o 243.7591 3.120818  595.8273       14.35310  594.5388       24.81057  596.4755       17.59655  -0.5765076     6.241636  
1 1 1 -13 1  25 o 189.3460 1.990298  358.4675       7.530618  350.5103       10.39478  367.2569       10.92479  -4.413925      3.980597  
1 1 1 -13 1  26 o 152.1608 1.614399  231.6530       4.912767  232.8001       6.984964  230.5300       6.911032  0.7450256      3.228797  
1 1 1 -13 1  27 o 137.2234 1.468536  188.1436       4.025844  183.2848       5.538332  193.5875       5.862275  -3.749908      2.937073  
1 1 1 -13 1  28 o 77.40549 0.8912731 59.88853       1.379151  58.68367       1.915292  61.18600       1.987541  -1.615791      1.782546  
1 1 1 -13 1  29 o 141.7411 1.513561  199.4722       4.263317  188.1365       5.658826  214.3521       6.483428  -9.235748      3.027121  
1 1 1 -13 1  30 o 82.31602 0.9404090 67.63754       1.545916  65.35832       2.117372  70.23952       2.262331  -2.963501      1.880818  
1 1 1 -13 1  31 o 276.2862 2.884598  765.1772       15.93659  773.3627       22.79931  757.3571       22.28497  2.880066       5.769196  
1 1 1 -13 1  32 o 170.1569 1.800770  289.3459       6.119326  281.0241       8.386728  298.8202       8.948645  -5.217133      3.601540  
1 1 1 -13 1  33 o 88.66790 1.002332  78.40911       1.773401  82.08134       2.617699  75.29401       2.410972  3.824509       2.004665  
1 1 1 -13 1  34 o 29.24306 0.6469607 8.522099       0.3770389 7.564381       0.5178360 9.602669       0.5500478 -3.484753      1.293921  
1 1 1 -13 1  35 o 100.6552 1.116640  101.3386       2.247257  99.85686       3.132704  102.9094       3.225531  -1.514496      2.233279  
1 1 1 -13 1  36 o 68.47729 0.8293415 46.81137       1.134203  48.71998       1.658897  45.13602       1.554226  2.615036       1.658683  
1 1 1 -13 1  37 o 140.9948 1.512091  199.0684       4.263253  197.1269       5.965439  201.0951       6.094948  -1.402481      3.024182  
1 1 1 -13 1  38 o 190.4545 2.012666  363.2017       7.653321  375.8676       11.22297  352.1917       10.46373  6.171371       4.025332  
1 1 1 -13 1  39 o 125.1434 1.357653  156.5393       3.392044  162.3642       4.977804  151.4898       4.634702  4.329292       2.715307  
1 1 1 -13 1  40 o 93.98154 1.059003  87.99670       1.983035  93.20503       2.963740  83.77490       2.668334  5.005661       2.118005  
1 1 1 -13 1  41 o 44.73370 0.6772445 19.96785       0.6050782 18.90119       0.8302911 21.17593       0.8836157 -2.540962      1.354489  
1 1 1 -13 1  42 o 158.4915 1.694099  251.9953       5.367344  256.6455       7.737939  247.6832       7.451313  2.804764       3.388198  
1 1 1 -13 1  43 o 65.83304 1.163453  43.22433       1.526599  45.75991       2.276152  41.15119       2.058144  3.487312       2.326907  
1 1 1 -13 1  44 o 49.98889 0.7182129 25.00578       0.7179852 25.21916       1.023927  24.79937       1.007052  0.4192200      1.436426  
1 1 1 -13 1  45 o 50.29000 0.7193950 25.21647       0.7219775 26.78767       1.065088  23.88079       0.9820233 2.886478       1.438790  
1 1 1 -13 1  46 o 85.94971 0.9976807 73.92982       1.713475  76.05548       2.487777  72.01133       2.363440  2.343918       1.995361  
1 1 1 -13 1  47 o 27.41375 0.7104858 7.522479       0.3878795 6.623825       0.5401382 8.479337       0.5573559 -3.383377      1.420972  
1 1 1 -13 1  48 f 17.89622 0.8805308 3.190999       0.3140430 3.593037       0.4620895 2.845927       0.4281029 2.084839       1.761062  
1 1 1 -13 1  49 o 20.18637 0.8221257 4.083955       0.3315427 4.326823       0.4706149 3.844651       0.4671489 1.194033       1.644251  
1 1 1 -13 1  50 o 47.22542 0.7311484 22.31374       0.6901824 21.37125       0.9592510 23.32533       0.9937962 -2.066242      1.462297  
1 1 1 -13 1  51 o 67.56050 0.8610033 45.75059       1.163389  45.52406       1.643187  45.97827       1.647382  -0.3357468     1.722007  
1 1 1 -13 1  52 o 44.00295 0.7400620 19.11418       0.6464557 22.07495       0.9878532 16.89655       0.8549366 5.872101       1.480124  
1 1 1 -13 1  53 o 17.16346 0.9901330 2.956801       0.3396547 2.957811       0.4718479 2.955715       0.4893168 0.8417130E-02  1.980266  
1 1 1 -13 1  54 o 64.73745 0.8540964 41.67709       1.100049  38.73337       1.466789  45.46121       1.663036  -5.172897      1.708193  
1 1 1 -13 1  55 o 65.65105 0.8689183 43.22647       1.140756  42.69782       1.597397  43.77666       1.629630  -0.8175430     1.737837  
1 1 1 -13 1  56 o 8.122515 1.774783  0.6503334      0.3356717 0.9426656      0.4629797 0.3263722      0.4873827 2.685032       3.549566  
1 1 1 -13 1  57 f 6.722729 1.834164  0.2204260      0.3601381 0.5612270      0.5520264 -0.3210647E-01 0.4751908 2.380637       3.668328  
1 1 1 -13 1  58 o 14.62197 2.144178  2.212781       0.6193574 3.024659       0.9153463 1.527177       0.8411564 5.227884       4.288357  
1 1 1 -13 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 2  1  o 494.9354 5.135447  2452.152       50.77912  2518.612       73.89970  2392.705       69.89275  12.65598       10.27089  
1 1 1 -13 2  2  o 197.3240 2.076109  389.4359       8.191949  385.6819       11.46061  393.3577       11.71388  -1.943359      4.152218  
1 1 1 -13 2  3  o 506.2532 5.252921  2558.334       52.99582  2687.639       79.03731  2452.712       71.43308  23.08463       10.50584  
1 1 1 -13 2  4  o 548.1724 5.700162  2991.955       62.12038  2833.097       82.63101  3198.433       94.20550  -33.13074      11.40032  
1 1 1 -13 2  5  o 225.0040 2.355245  504.9111       10.57100  527.4619       15.64341  485.9597       14.34069  9.213669       4.710491  
1 1 1 -13 2  6  o 266.7324 3.928227  712.3295       20.95494  708.8138       29.48390  715.9182       29.78796  -1.328278      7.856453  
1 1 1 -13 2  7  o 253.8804 3.741054  645.2289       18.99394  650.1577       27.07765  640.4547       26.65042  1.906265       7.482108  
1 1 1 -13 2  8  o 44.21846 0.7264436 19.99001       0.6250508 17.31510       0.9643222 21.92806       0.8208257 -5.216400      1.452887  
1 1 1 -13 2  9  o 46.24319 0.8529255 21.33339       0.7876946 22.35005       1.152621  20.44253       1.078961  2.062298       1.705851  
1 1 1 -13 2  10 o 232.7847 3.434652  540.5184       15.94186  566.0588       23.67719  519.3386       21.56144  10.01256       6.869304  
1 1 1 -13 2  11 o 115.9649 1.760191  134.4668       4.081211  132.5869       5.689315  136.4596       5.857778  -1.668846      3.520383  
1 1 1 -13 2  12 o 264.7309 3.346006  708.9923       17.04407  730.1449       21.53788  673.5508       27.87898  10.75897       6.692012  
1 1 1 -13 2  13 o 85.02587 1.099052  72.20282       1.867011  74.39819       2.716386  70.23714       2.570367  2.446365       2.198104  
1 1 1 -13 2  14 o 144.1566 1.530137  206.0514       4.379849  193.7624       5.792356  222.4583       6.692856  -9.947891      3.060275  
1 1 1 -13 2  15 o 124.3962 1.332133  154.6381       3.311848  151.3812       4.580180  158.2068       4.794486  -2.742340      2.664266  
1 1 1 -13 2  16 o 198.0500 2.075715  392.2817       8.218995  386.7095       11.44266  398.2204       11.81301  -2.902725      4.151431  
1 1 1 -13 2  17 o 247.3463 2.579304  612.2979       12.75892  608.9415       17.93180  615.7394       18.15799  -1.371490      5.158609  
1 1 1 -13 2  18 o 113.7659 1.227679  129.2656       2.790065  125.8017       3.835380  133.1590       4.066226  -3.232109      2.455358  
1 1 1 -13 2  19 o 62.78569 0.7551908 39.04869       0.9422094 36.29833       1.249178  42.67840       1.435043  -5.080086      1.510382  
1 1 1 -13 2  20 o 207.9079 2.180000  432.5698       9.064358  430.3089       12.74513  434.8838       12.89405  -1.098343      4.360001  
1 1 1 -13 2  21 f 135.0437 1.440578  182.4043       3.890241  184.1931       5.559267  180.6878       5.445751  1.296814       2.881155  
1 1 1 -13 2  22 o 44.17688 0.6200650 19.46501       0.5470552 18.53598       0.7494944 20.52429       0.8003089 -2.250175      1.240130  
1 1 1 -13 2  23 o 119.2244 1.569095  143.9035       3.598338  148.7013       4.549327  135.8862       5.880911  5.390488       3.138190  
1 1 1 -13 2  24 o 203.5992 3.025552  415.3883       12.31990  414.5155       17.38223  416.2693       17.46401  -0.4287109     6.051104  
1 1 1 -13 2  25 o 184.8144 2.756809  340.8342       10.15796  357.8968       15.10074  326.7323       13.72820  8.401779       5.513618  
1 1 1 -13 2  26 o 72.25091 1.194997  51.92285       1.719991  49.06913       2.311007  55.46650       2.575263  -4.424667      2.389993  
1 1 1 -13 2  27 f 149.7805 2.253496  224.6224       6.750595  224.5731       9.547406  224.6717       9.546159  -0.3294373E-01 4.506991  
1 1 1 -13 2  28 o 68.08714 1.012750  43.96259       1.226211  51.65956       2.442233  41.36826       1.417883  7.548065       2.025500  
1 1 1 -13 2  29 o 240.5458 2.515770  579.3482       12.09815  570.3563       16.82213  588.9816       17.41185  -3.857025      5.031541  
1 1 1 -13 2  30 o 118.3125 1.282461  139.3546       3.022652  132.7406       4.063264  147.5498       4.522938  -6.252266      2.564922  
1 1 1 -13 2  31 o 45.58406 0.6645197 20.47754       0.6011268 18.31517       0.7926553 23.40461       0.9222237 -5.581505      1.329039  
1 1 1 -13 2  32 o 261.4246 2.732563  685.0051       14.28373  676.8802       19.93990  693.5685       20.47107  -3.173981      5.465126  
1 1 1 -13 2  33 f 72.26985 0.8589252 52.24052       1.241420  52.64614       1.766966  51.84515       1.744515  0.5538940      1.717850  
1 1 1 -13 2  34 o 136.0613 1.460234  185.1717       3.971324  181.6017       5.504691  189.0466       5.734985  -2.730499      2.920467  
1 1 1 -13 2  35 o 130.6720 1.408251  169.9696       3.663536  180.5260       5.506372  161.5854       4.907273  7.232201       2.816503  
1 1 1 -13 2  36 o 138.6055 1.487302  192.3763       4.122960  192.1237       5.824415  192.6300       5.837098  -0.1822357     2.974605  
1 1 1 -13 2  37 o 144.2191 1.544366  207.8597       4.446065  215.7445       6.533942  201.0608       6.067327  5.072952       3.088732  
1 1 1 -13 2  38 o 79.38440 0.9245459 63.01002       1.466968  64.52255       2.120687  61.62217       2.031404  1.824348       1.849092  
1 1 1 -13 2  39 o 102.2448 1.135995  104.6674       2.322989  104.5142       3.281774  104.8213       3.288643  -0.1499023     2.271991  
1 1 1 -13 2  40 o 53.93372 0.7249783 29.05555       0.7812527 28.01637       1.076164  30.21346       1.135978  -2.035233      1.449957  
1 1 1 -13 2  41 o 32.71786 0.6479470 10.69896       0.4235862 10.06098       0.5895566 11.37972       0.6089992 -2.014776      1.295894  
1 1 1 -13 2  42 o 69.35619 0.8475062 47.94238       1.172190  50.79069       1.740362  45.57738       1.585845  3.752205       1.695012  
1 1 1 -13 2  43 o 117.2664 1.827059  138.1859       4.285008  138.3069       6.075204  138.0661       6.044744  0.9980774E-01  3.654118  
1 1 1 -13 2  44 o 73.53632 0.8911436 53.82023       1.305364  57.66260       1.955850  50.73388       1.752905  4.701126       1.782287  
1 1 1 -13 2  45 o 66.77922 0.8354997 44.61950       1.115454  43.58826       1.551476  45.72293       1.604859  -1.595528      1.670999  
1 1 1 -13 2  46 o 43.05777 0.6909513 18.48950       0.5939012 19.75975       0.8724619 17.39262       0.8107368 2.745785       1.381903  
1 1 1 -13 2  47 o 31.34349 0.6949313 9.822289       0.4349003 9.048901       0.6044970 10.65210       0.6261585 -2.556343      1.389863  
1 1 1 -13 2  48 o 48.76446 0.7250243 23.77416       0.7065554 22.88861       0.9761555 24.74863       1.024001  -1.904228      1.450049  
1 1 1 -13 2  49 o 40.14725 0.7044429 16.12754       0.5654092 16.59182       0.8134099 15.69348       0.7864882 1.117012       1.408886  
1 1 1 -13 2  50 o 36.56541 0.7112129 13.38357       0.5198348 13.58522       0.7497187 13.19685       0.7214130 0.5289574      1.422426  
1 1 1 -13 2  51 o 13.26251 1.191965  1.781060       0.3136128 1.585886       0.4551034 1.957548       0.4327699 -1.404151      2.383930  
1 1 1 -13 2  52 o 30.58549 0.7475408 9.361347       0.4569905 9.735046       0.6603119 9.017801       0.6331103 1.170010       1.495082  
1 1 1 -13 2  53 o 24.94928 0.8265600 6.189698       0.4089176 5.141791       0.5538050 7.445909       0.6063546 -4.611801      1.653120  
1 1 1 -13 2  54 f 60.35923 0.8294517 36.52209       1.001128  37.03913       1.432195  36.02805       1.399972  0.8338013      1.658903  
1 1 1 -13 2  55 o 12.15732 1.413094  1.520905       0.3337942 1.353598       0.4776582 1.680588       0.4666470 -1.525398      2.826187  
1 1 1 -13 2  56 o 11.27336 1.556707  1.356326       0.3402590 0.7932575      0.4827053 1.912420       0.4797066 -5.013446      3.113414  
1 1 1 -13 2  57 o 17.56108 1.193109  3.056189       0.4127014 3.384163       0.6544013 2.839603       0.5317883 1.524666       2.386219  
1 1 1 -13 2  58 o 20.40442 2.063529  4.209350       0.8421020 4.209350       0.8421020 ?              ?         ?              ?         
1 1 1 -13 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 3  1  o 129.3575 1.378750  167.1421       3.563126  162.9317       4.903314  171.8532       5.186658  -3.447159      2.757499  
1 1 1 -13 3  2  o 249.4901 2.600984  621.7468       12.95876  604.3694       17.75282  641.5671       18.95955  -7.444824      5.201968  
1 1 1 -13 3  3  o 193.1758 2.024266  373.2856       7.820488  375.1720       11.11796  371.4384       11.00263  0.9656525      4.048531  
1 1 1 -13 3  4  o 339.2766 4.355732  1136.039       27.23273  1196.384       49.86213  1110.387       32.50969  12.44620       8.711465  
1 1 1 -13 3  5  o 214.2596 3.163784  459.0082       13.54578  469.9699       19.64951  449.0814       18.69906  4.865463       6.327567  
1 1 1 -13 3  6  o 142.4491 2.136938  202.9917       6.087652  203.4151       8.665986  202.5792       8.553594  0.2926941      4.273877  
1 1 1 -13 3  7  o 125.0144 1.885504  155.9529       4.704842  150.6891       6.414339  162.0829       6.921916  -4.554085      3.771008  
1 1 1 -13 3  8  o 312.6270 3.988819  975.5208       23.38998  969.5632       28.45961  987.9204       41.05803  -2.782593      7.977638  
1 1 1 -13 3  9  o 144.5437 1.534179  208.8951       4.433933  212.1844       6.360468  205.7854       6.184297  2.212677       3.068359  
1 1 1 -13 3  10 o 111.4787 1.202454  124.2846       2.680841  123.5942       3.769858  124.9908       3.813076  -0.6262207     2.404909  
1 1 1 -13 3  11 f 134.4133 1.432130  180.7013       3.849870  181.2153       5.464740  180.1948       5.424561  0.3794250      2.864260  
1 1 1 -13 3  12 o 241.3800 2.518584  582.9050       12.15691  577.1749       17.01690  588.8777       17.37358  -2.420975      5.037169  
1 1 1 -13 3  13 o 139.0222 1.479014  193.1503       4.109544  189.0590       5.687292  197.6205       5.944804  -3.077759      2.958029  
1 1 1 -13 3  14 f 375.6490 5.529415  1415.882       41.54087  1422.575       59.05011  1409.324       58.44982  1.750702       11.05883  
1 1 1 -13 3  15 o 278.8945 2.903929  777.3873       16.17611  756.5168       22.20007  801.0104       23.61873  -7.959381      5.807857  
1 1 1 -13 3  16 o 311.2381 3.237714  968.6041       20.12886  996.4277       29.35496  943.9113       27.65414  8.411804       6.475428  
1 1 1 -13 3  17 o 47.44413 0.6385505 22.46443       0.6052071 21.55960       0.8317812 23.48236       0.8822292 -2.026192      1.277101  
1 1 1 -13 3  18 f 146.6117 1.558808  213.4856       4.543130  228.5204       6.893880  201.9434       6.040311  9.056854       3.117616  
1 1 1 -13 3  19 o 165.9931 1.750579  275.5365       5.809321  271.2583       8.078800  280.1174       8.359637  -2.665756      3.501157  
1 1 1 -13 3  20 o 118.0917 1.273771  139.0074       3.000131  133.3306       4.064919  145.7995       4.446345  -5.276390      2.547541  
1 1 1 -13 3  21 o 236.0630 2.466007  557.8922       11.64252  559.4420       16.51402  556.3606       16.41643  0.6510468      4.932015  
1 1 1 -13 3  22 o 125.4841 1.346519  157.3484       3.376287  161.4325       4.901482  153.6608       4.657442  3.094231       2.693038  
1 1 1 -13 3  23 o 164.2119 1.735702  269.6123       5.696401  264.1689       7.879832  275.5711       8.244384  -3.466721      3.471404  
1 1 1 -13 3  24 o 189.8190 1.995364  360.2261       7.567831  369.4992       10.99581  351.8805       10.43153  4.631973       3.990728  
1 1 1 -13 3  25 o 305.9707 3.186797  937.4319       19.48622  958.5643       28.22952  918.1979       26.93163  6.564301       6.373594  
1 1 1 -13 3  26 o 110.0690 1.198593  121.0517       2.636120  124.3103       3.828435  118.1138       3.635144  2.812904       2.397187  
1 1 1 -13 3  27 o 233.9001 2.987923  551.2646       13.29930  558.0735       16.50138  538.6442       22.46569  4.309296       5.975845  
1 1 1 -13 3  28 f 153.2648 2.112813  233.9126       6.293845  229.9406       7.974881  240.4723       10.24847  -3.391418      4.225626  
1 1 1 -13 3  29 o 80.66609 1.312354  64.02272       2.091421  71.90223       3.282741  58.63950       2.713367  8.213287       2.624707  
1 1 1 -13 3  30 o 219.3955 3.258616  482.8616       14.29753  485.9827       20.36298  479.8268       20.07951  1.393005       6.517232  
1 1 1 -13 3  31 o 162.4325 2.440009  264.2840       7.924959  267.4277       11.35212  261.2955       11.06844  1.879684       4.880017  
1 1 1 -13 3  32 o 57.59695 0.9221076 32.15099       0.9718902 35.73312       1.823605  30.72989       1.148607  4.335499       1.844215  
1 1 1 -13 3  33 f 48.50628 0.8451148 22.36488       0.7404647 26.26765       1.436974  20.95394       0.8640063 5.470188       1.690230  
1 1 1 -13 3  34 o 131.0983 1.413422  171.5765       3.697835  178.5157       5.449866  165.6562       5.033923  4.894928       2.826844  
1 1 1 -13 3  35 o 195.9326 2.064842  384.7720       8.091379  385.2318       11.45756  384.3146       11.42837  0.2329254      4.129683  
1 1 1 -13 3  36 o 118.5501 1.290384  140.2331       3.051611  134.7219       4.140435  146.7869       4.515129  -5.077736      2.580768  
1 1 1 -13 3  37 o 31.95670 0.6284069 10.21300       0.4015703 9.957167       0.5637029 10.47660       0.5722047 -0.8125763     1.256814  
1 1 1 -13 3  38 o 114.2744 1.250736  129.9590       2.844748  123.0827       3.804479  138.6790       4.284288  -6.805580      2.501473  
1 1 1 -13 3  39 o 128.8860 1.395586  166.1815       3.593235  161.6644       4.939983  171.2565       5.236143  -3.707161      2.791173  
1 1 1 -13 3  40 o 52.25883 0.7147649 27.18717       0.7448360 29.12237       1.106799  25.58529       1.006978  3.381420       1.429530  
1 1 1 -13 3  41 o 47.61658 0.6895052 22.45954       0.6531324 20.46473       0.8708709 25.02391       0.9874028 -4.783783      1.379010  
1 1 1 -13 3  42 o 58.88094 0.7685252 34.64685       0.9041878 35.83919       1.313823  33.57397       1.246278  1.921078       1.537050  
1 1 1 -13 3  43 o 78.32793 0.9293805 61.17125       1.451544  64.68207       2.156904  58.26496       1.962436  4.086792       1.858761  
1 1 1 -13 3  44 o 33.21938 0.6799150 11.04048       0.4515831 10.65367       0.6335592 11.43994       0.6438348 -1.183064      1.359830  
1 1 1 -13 3  45 o 65.08279 0.8232954 42.07001       1.066107  45.71186       1.610863  39.23159       1.422121  4.968521       1.646591  
1 1 1 -13 3  46 o 67.69856 0.8467572 45.86599       1.146062  44.79297       1.594512  47.01275       1.648381  -1.636253      1.693514  
1 1 1 -13 3  47 o 35.25216 0.6901905 12.43787       0.4865710 12.64131       0.6933170 12.24041       0.6830288 0.5680771      1.380381  
1 1 1 -13 3  48 o 20.84085 0.8292016 4.338595       0.3440631 3.790633       0.4739484 4.949126       0.5002757 -2.777519      1.658403  
1 1 1 -13 3  49 o 99.72107 1.133646  99.66387       2.258684  102.5962       3.284679  97.03355       3.110921  2.769890       2.267292  
1 1 1 -13 3  50 o 19.21507 0.9003161 3.700671       0.3458959 3.683916       0.4830004 3.718311       0.4955838 -0.8831024E-01 1.800632  
1 1 1 -13 3  51 o 46.55472 0.7391768 21.69522       0.6878681 22.19029       0.9929046 21.23834       0.9538549 1.019096       1.478354  
1 1 1 -13 3  52 o 17.96661 0.9935108 3.252939       0.3485449 2.388869       0.4798323 4.218135       0.5071340 -5.087413      1.987022  
1 1 1 -13 3  53 o 17.87326 1.014612  3.183948       0.3609839 3.650811       0.5343708 2.792068       0.4895813 2.396183       2.029223  
1 1 1 -13 3  54 o 23.73178 1.021833  5.630281       0.4597529 5.735170       0.7908076 5.576729       0.5650582 0.3013935      2.043666  
1 1 1 -13 3  55 f 40.52828 1.063380  16.52119       0.8608535 16.04494       1.237349  16.96796       1.198445  -1.144863      2.126760  
1 1 1 -13 3  56 o 45.06741 1.093887  20.37630       0.9840993 21.21851       1.446609  19.65080       1.342651  1.720047       2.187775  
1 1 1 -13 3  57 o 35.73639 0.9739049 12.87210       0.6659657 12.97366       0.8308023 12.68953       1.113898  0.4455643      1.947810  
1 1 1 -13 3  58 o 67.14422 2.466075  45.80359       3.311654  45.80359       3.311654  ?              ?         ?              ?         
1 1 1 -13 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 4  1  o 118.5141 1.574198  136.5427       3.385970  149.8554       6.426951  131.4281       3.983658  7.761070       3.148396  
1 1 1 -13 4  2  o 243.2999 3.585734  592.4789       17.44333  584.6840       24.32674  600.7280       25.02527  -3.288666      7.171469  
1 1 1 -13 4  3  o 202.8997 3.001487  409.8139       12.12491  390.2269       16.24792  434.4294       18.21452  -10.87309      6.002974  
1 1 1 -13 4  4  o 440.8565 6.492091  1941.747       56.98718  2046.552       85.50958  1858.005       76.43573  21.19135       12.98418  
1 1 1 -13 4  5  o 98.48115 1.297479  98.20213       2.472399  102.0926       3.157676  92.03820       3.974622  5.108124       2.594958  
1 1 1 -13 4  6  o 247.1771 2.576145  611.3347       12.73522  612.3368       18.04407  610.3398       17.97676  0.4033966      5.152290  
1 1 1 -13 4  7  o 244.1446 2.546882  596.2272       12.43267  604.3241       17.83686  588.5763       17.33863  3.220947       5.093764  
1 1 1 -13 4  8  o 409.8189 4.253667  1681.712       34.85245  1658.880       48.52942  1706.030       50.08501  -5.730530      8.507335  
1 1 1 -13 4  9  o 253.4385 2.644865  642.0113       13.39301  658.4128       19.46358  627.2613       18.45759  6.136703       5.289730  
1 1 1 -13 4  10 o 474.3019 4.925569  2255.023       46.72408  2251.995       66.01642  2258.064       66.13941  -0.6376343     9.851138  
1 1 1 -13 4  11 o 379.9177 3.944374  1445.431       29.96605  1432.238       41.93834  1459.193       42.83260  -3.534637      7.888748  
1 1 1 -13 4  12 o 54.01493 0.6761540 28.96607       0.7272295 27.01086       0.9741130 31.42786       1.093047  -4.088379      1.352308  
1 1 1 -13 4  13 o 197.0420 2.066566  387.6826       8.130459  376.0654       11.12088  401.0220       11.91674  -6.326187      4.133132  
1 1 1 -13 4  14 o 123.4870 1.323739  152.0155       3.260328  159.0783       4.830221  146.1046       4.418800  5.250748       2.647478  
1 1 1 -13 4  15 o 301.0129 3.131974  907.2203       18.85520  905.7424       26.61539  908.7091       26.71544  -0.4913635     6.263948  
1 1 1 -13 4  16 o 130.9147 1.397613  171.0688       3.652960  177.2970       5.359715  165.6659       4.991995  4.439758       2.795226  
1 1 1 -13 4  17 o 121.0825 1.302056  146.2358       3.145985  140.9289       4.279460  152.4764       4.640646  -4.766029      2.604113  
1 1 1 -13 4  18 o 185.9727 1.953620  346.0520       7.266205  347.4574       10.32156  344.6711       10.23097  0.7481384      3.907241  
1 1 1 -13 4  19 o 322.6498 3.356750  1042.603       21.65413  1057.405       31.09833  1028.672       30.16990  4.434265       6.713500  
1 1 1 -13 4  20 o 131.6504 1.406234  173.3699       3.702429  172.3561       5.204001  174.4090       5.268648  -0.7790985     2.812468  
1 1 1 -13 4  21 o 131.6722 1.408001  172.0288       3.683027  162.0183       4.881181  185.2620       5.612155  -8.818939      2.816002  
1 1 1 -13 4  22 o 349.3788 3.639498  1224.011       25.42756  1211.556       35.59489  1236.990       36.33657  -3.618683      7.278995  
1 1 1 -13 4  23 o 139.7193 1.489006  194.0257       4.138146  207.1889       6.256567  183.7893       5.517337  8.364883       2.978012  
1 1 1 -13 4  24 o 161.9380 1.713511  261.7338       5.537869  252.6774       7.542509  272.3260       8.156997  -6.058472      3.427022  
1 1 1 -13 4  25 o 242.8008 2.537263  590.1023       12.31615  599.5529       17.71714  581.2647       17.13289  3.754333       5.074527  
1 1 1 -13 4  26 o 164.8830 1.744036  271.3224       5.737974  282.5121       8.466005  261.8147       7.803824  6.266464       3.488071  
1 1 1 -13 4  27 o 144.4007 1.538618  208.3925       4.439203  214.0201       6.451666  203.3325       6.117608  3.695999       3.077235  
1 1 1 -13 4  28 o 87.03282 0.9811429 75.71198       1.706842  77.29920       2.464885  74.24976       2.365839  1.750961       1.962286  
1 1 1 -13 4  29 o 268.0770 2.800290  720.2012       15.01198  714.2942       21.03246  726.3356       21.43351  -2.234314      5.600580  
1 1 1 -13 4  30 o 218.6804 2.292325  478.2681       10.01266  492.5522       14.61300  465.6274       13.74674  6.134293       4.584650  
1 1 1 -13 4  31 o 175.8884 1.858732  308.9154       6.523999  321.3087       9.618392  298.3553       8.878604  6.508698       3.717464  
1 1 1 -13 4  32 o 81.00345 1.133792  66.59887       1.772259  69.55855       2.257921  61.84944       2.860269  4.767555       2.267585  
1 1 1 -13 4  33 o 160.6656 2.417851  258.4780       7.761204  265.4656       11.28904  252.2151       10.68764  4.101028       4.835701  
1 1 1 -13 4  34 o 160.1941 2.413514  257.3249       7.732392  256.2115       10.88570  258.4588       10.98549  -0.6974030     4.827028  
1 1 1 -13 4  35 o 58.56728 1.077857  34.12345       1.258274  31.94266       1.696296  36.79138       1.876210  -4.135506      2.155714  
1 1 1 -13 4  36 o 166.2899 2.505322  277.5270       8.328840  282.2630       11.98472  273.1032       11.58306  2.730759       5.010643  
1 1 1 -13 4  37 o 82.31887 1.157602  68.98460       1.846891  62.79502       2.929899  73.06570       2.379084  -6.255447      2.315204  
1 1 1 -13 4  38 o 81.32838 1.156705  66.55932       1.785545  65.14904       3.034400  67.30627       2.208343  -1.356491      2.313410  
1 1 1 -13 4  39 o 53.91277 0.7257509 29.07461       0.7824197 29.41204       1.118689  28.75147       1.094717  0.6120186      1.451502  
1 1 1 -13 4  40 o 36.29024 0.6570988 13.16674       0.4767123 13.49670       0.6868619 12.86009       0.6621623 0.8764343      1.314198  
1 1 1 -13 4  41 o 74.12926 0.8846901 55.00315       1.311566  55.34868       1.865918  54.66571       1.843945  0.4597778      1.769380  
1 1 1 -13 4  42 o 17.89691 0.8460977 3.218983       0.2987105 2.565889       0.4155042 3.917583       0.4297360 -3.775751      1.692195  
1 1 1 -13 4  43 o 79.16197 0.9343198 62.70160       1.478393  64.07754       2.135178  61.43447       2.049010  1.665092       1.868640  
1 1 1 -13 4  44 o 54.07445 0.7445204 28.85377       0.7983273 32.46555       1.231226  26.23380       1.048637  5.754417       1.489041  
1 1 1 -13 4  45 o 122.3311 1.340618  150.1282       3.279461  148.5047       4.588493  151.8234       4.688852  -1.347420      2.681236  
1 1 1 -13 4  46 o 51.00871 0.7368470 25.80782       0.7477680 28.43015       1.130488  23.76803       0.9970453 4.563038       1.473694  
1 1 1 -13 4  47 o 22.91531 0.7821106 5.264760       0.3579625 4.985980       0.5087932 5.538002       0.5037157 -1.204802      1.564221  
1 1 1 -13 4  48 o 53.70951 0.7587615 28.88206       0.8148943 29.18597       1.166259  28.59215       1.139090  0.5509949      1.517523  
1 1 1 -13 4  49 o 38.66874 0.7096342 14.84505       0.5464341 16.68384       0.8170218 13.35686       0.7350162 4.296047       1.419268  
1 1 1 -13 4  50 o 44.79420 0.7438412 20.09916       0.6663116 20.06146       0.9493897 20.13577       0.9353802 -0.8405304E-01 1.487682  
1 1 1 -13 4  51 o 26.61038 1.042384  7.256024       0.5396609 5.390539       0.7699782 9.057199       0.7565894 -6.891113      2.084768  
1 1 1 -13 4  52 o 30.03526 1.037863  9.056971       0.6232288 8.747919       0.8785074 9.370095       0.8842781 -1.034977      2.075726  
1 1 1 -13 4  53 o 25.98903 1.128261  6.765949       0.5853590 7.358350       0.8532814 6.239327       0.8045146 2.145403       2.256521  
1 1 1 -13 4  54 o 37.10146 0.9138469 13.88233       0.6503701 14.06560       0.8149151 13.56081       1.079368  0.7147789      1.827694  
1 1 1 -13 4  55 o 50.07120 0.7875370 25.08676       0.7877864 26.25200       1.147430  24.04771       1.083512  2.193542       1.575074  
1 1 1 -13 4  56 o 47.27023 0.7903202 22.37572       0.7465422 23.40876       1.082522  21.43883       1.030908  2.076637       1.580640  
1 1 1 -13 4  57 o 39.55078 0.8982220 15.40030       0.7031771 18.00422       1.093510  13.56440       0.9181924 5.584953       1.796444  
1 1 1 -13 4  58 o 21.95064 2.460806  4.896513       1.080325  4.896513       1.080325  ?              ?         ?              ?         
1 1 1 -13 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 5  1  o 255.4965 3.764414  653.7742       19.23542  656.1767       27.31726  651.4116       27.09014  0.9292450      7.528827  
1 1 1 -13 5  2  o 445.7055 5.658134  2000.371       47.87801  2016.188       59.18726  1970.426       81.43727  5.597443       11.31627  
1 1 1 -13 5  3  o 232.2588 2.428987  539.7111       11.28168  543.3391       16.10252  536.2133       15.81089  1.531448       4.857974  
1 1 1 -13 5  4  o 120.9385 1.500328  145.0399       3.605394  135.9765       4.780933  156.9905       5.489858  -8.684044      3.000656  
1 1 1 -13 5  5  o 362.0993 3.761487  1312.599       27.23322  1295.448       37.98523  1330.739       39.06464  -4.858582      7.522974  
1 1 1 -13 5  6  o 330.1448 3.430300  1090.042       22.62828  1117.599       32.87143  1065.222       31.19665  7.911774       6.860601  
1 1 1 -13 5  7  o 240.2375 2.511325  576.4655       12.04726  560.0320       16.49357  595.2603       17.63885  -7.321609      5.022649  
1 1 1 -13 5  8  o 350.7000 3.642632  1230.638       25.53210  1256.247       36.92860  1207.186       35.33950  6.973602       7.285264  
1 1 1 -13 5  9  o 398.4324 4.143186  1581.097       32.84622  1504.793       43.88142  1678.324       49.53362  -21.68900      8.286372  
1 1 1 -13 5  10 f 112.4544 1.215356  126.4366       2.732747  124.6436       3.812929  128.3304       3.918612  -1.638771      2.430711  
1 1 1 -13 5  11 f 167.5125 1.765126  280.6798       5.913198  278.8167       8.303802  282.5966       8.422513  -1.127365      3.530251  
1 1 1 -13 5  12 o 65.51740 0.7745365 42.83370       1.013260  41.36325       1.385878  44.52248       1.485205  -2.410667      1.549073  
1 1 1 -13 5  13 o 301.3492 3.136489  908.7314       18.89469  924.5198       27.22445  894.0590       26.24472  5.040558       6.272978  
1 1 1 -13 5  14 o 255.8801 2.668208  655.3583       13.65482  655.6669       19.31345  655.0499       19.30822  0.1205139      5.336415  
1 1 1 -13 5  15 o 276.8065 4.083677  767.9387       22.60645  772.5191       32.17828  763.4747       31.76639  1.625458       8.167355  
1 1 1 -13 5  16 o 67.75388 0.8009219 45.38689       1.076798  41.97519       1.418816  50.02152       1.653664  -5.936935      1.601844  
1 1 1 -13 5  17 o 330.3708 3.435814  1093.375       22.70046  1100.115       32.31831  1086.811       31.89251  2.005432       6.871627  
1 1 1 -13 5  18 o 303.9106 3.164404  924.7396       19.22644  910.9501       26.74786  939.4809       27.65544  -4.677002      6.328809  
1 1 1 -13 5  19 o 77.55716 0.8848647 60.15837       1.372521  59.97353       1.933472  60.34615       1.948694  -0.2401428     1.769729  
1 1 1 -13 5  20 o 341.2675 3.554131  1164.907       24.21098  1127.376       33.02949  1208.491       35.59304  -11.81992      7.108261  
1 1 1 -13 5  21 o 62.30518 0.7519645 38.76745       0.9361159 40.07203       1.360966  37.59602       1.289647  1.986580       1.503929  
1 1 1 -13 5  22 o 125.8925 1.350927  157.7489       3.387006  166.9661       5.078029  150.3621       4.545921  6.588707       2.701853  
1 1 1 -13 5  23 o 105.2285 1.150261  110.1649       2.410432  116.9873       3.616047  104.7092       3.233649  5.830551       2.300521  
1 1 1 -13 5  24 o 93.31508 1.034851  86.65385       1.923767  91.92907       2.878677  82.39668       2.586027  5.105270       2.069701  
1 1 1 -13 5  25 f 303.8241 3.166355  924.0656       19.21822  949.2702       27.99008  901.5853       26.43397  7.806366       6.332710  
1 1 1 -13 5  26 o 155.0302 1.644774  240.4053       5.097902  244.0748       7.329768  236.9671       7.095007  2.288925       3.289549  
1 1 1 -13 5  27 o 182.1181 1.918292  331.9893       6.987073  332.5401       9.901430  331.4431       9.861120  0.3004456      3.836584  
1 1 1 -13 5  28 o 157.3568 1.670462  247.7355       5.256014  251.0438       7.529054  244.5907       7.340776  2.047318       3.340923  
1 1 1 -13 5  29 o 286.3593 2.989195  822.1798       17.11866  816.9025       24.05179  827.5978       24.37022  -1.857239      5.978390  
1 1 1 -13 5  30 o 216.0074 2.265913  467.3555       9.788889  468.7187       13.89422  466.0120       13.79349  0.6239166      4.531825  
1 1 1 -13 5  31 o 184.1332 1.944455  339.4319       7.159600  343.2821       10.23770  335.7465       10.01634  2.040833       3.888910  
1 1 1 -13 5  32 o 278.2271 2.908203  776.6641       16.18033  769.5911       22.64696  784.0390       23.12542  -2.576172      5.816407  
1 1 1 -13 5  33 f 140.0020 1.499910  196.1165       4.198148  199.2377       6.039439  193.1982       5.839751  2.152115       2.999820  
1 1 1 -13 5  34 o 123.4089 1.338300  151.6718       3.289910  144.4246       4.420749  160.6677       4.925310  -6.568764      2.676599  
1 1 1 -13 5  35 o 98.79965 1.101302  97.58719       2.174366  100.0189       3.153047  95.38214       3.002508  2.342918       2.202604  
1 1 1 -13 5  36 o 36.06487 0.6481631 12.60736       0.4602135 15.84896       0.7282358 10.45197       0.5938211 7.480198       1.296326  
1 1 1 -13 5  37 f 72.84808 1.069544  53.50795       1.479426  54.38703       1.833019  51.86524       2.505726  1.751656       2.139088  
1 1 1 -13 5  38 f 62.37843 1.030857  37.83817       1.229455  35.39761       1.508206  42.67233       2.122637  -5.810081      2.061715  
1 1 1 -13 5  39 o 45.73032 0.9794651 20.91725       0.8954737 21.67205       1.286241  20.20730       1.247433  1.600121       1.958930  
1 1 1 -13 5  40 o 72.48685 1.246335  52.60024       1.805963  54.03365       2.604681  51.27317       2.506200  1.898758       2.492669  
1 1 1 -13 5  41 o 65.58337 1.166248  42.95150       1.526635  41.02394       2.079683  45.20393       2.248118  -3.177662      2.332496  
1 1 1 -13 5  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 5  43 o 47.24149 0.8725460 21.10380       0.7468713 25.28411       1.447192  19.58621       0.8719645 6.003433       1.745092  
1 1 1 -13 5  44 f 69.11330 0.8570287 47.79023       1.184143  46.61183       1.645711  49.05526       1.705133  -1.764656      1.714057  
1 1 1 -13 5  45 o 71.54034 0.8778082 51.01304       1.251882  54.21730       1.864378  48.38206       1.689386  4.067558       1.755616  
1 1 1 -13 5  46 o 32.98965 0.6996034 10.83720       0.4603402 11.71948       0.6819623 10.09866       0.6239392 2.453636       1.399207  
1 1 1 -13 5  47 f 68.88725 1.064190  46.47475       1.346294  50.36154       2.495944  44.87991       1.598821  3.900917       2.128380  
1 1 1 -13 5  48 o 47.96107 1.021345  23.05712       0.9792259 22.07327       1.372458  24.07727       1.397552  -2.086872      2.042690  
1 1 1 -13 5  49 o 45.39383 1.017544  20.59672       0.9215752 21.67009       1.362108  19.69058       1.251513  2.168736       2.035089  
1 1 1 -13 5  50 o 54.83941 1.013112  29.83091       1.087009  28.62290       1.386740  31.75598       1.750590  -2.816528      2.026223  
1 1 1 -13 5  51 o 29.04076 0.7664984 8.443803       0.4449340 8.050516       0.6205065 8.860014       0.6383356 -1.392092      1.532997  
1 1 1 -13 5  52 o 32.93488 0.7505770 10.86985       0.4943036 10.86377       0.7060677 10.87570       0.6922390 -0.1947403E-01 1.501154  
1 1 1 -13 5  53 f 9.314198 1.691507  0.9101167      0.3172595 0.9653826      0.4508975 0.8559284      0.4464804 0.5404453      3.383015  
1 1 1 -13 5  54 o 60.60651 0.8331278 36.82453       1.009655  36.24419       1.410599  37.43419       1.445786  -0.9774551     1.666256  
1 1 1 -13 5  55 f 16.44183 1.122222  2.721678       0.3685673 2.596341       0.5252410 2.843260       0.5173150 -0.7522793     2.244444  
1 1 1 -13 5  56 o 27.12268 0.8516549 7.378314       0.4616685 7.772380       0.6611491 7.003326       0.6449479 1.415314       1.703310  
1 1 1 -13 5  57 f 10.95922 1.936609  1.243299       0.4353924 0.7965050      0.5931585 1.765249       0.6411091 -4.008914      3.873217  
1 1 1 -13 5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 5  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 6  1  o 94.44852 1.036006  88.55312       1.945500  83.48376       2.587997  95.14050       2.950142  -6.169319      2.072012  
1 1 1 -13 6  2  o 151.6059 1.604414  229.8756       4.864125  227.7055       6.812282  232.1328       6.947535  -1.459244      3.208829  
1 1 1 -13 6  3  o 560.0769 5.838132  3143.266       65.29688  3046.171       89.42626  3254.152       95.56673  -18.41974      11.67626  
1 1 1 -13 6  4  o 246.9621 2.574397  610.3656       12.71556  610.7158       17.99287  610.0163       17.97219  0.1413879      5.148794  
1 1 1 -13 6  5  o 345.2863 3.588404  1193.298       24.76855  1214.609       35.69832  1173.515       34.39411  5.931915       7.176807  
1 1 1 -13 6  6  o 140.1548 1.488330  196.4123       4.170660  193.7799       5.812853  199.2051       5.987427  -1.934402      2.976661  
1 1 1 -13 6  7  o 57.65496 0.7035291 32.22342       0.7949261 28.45590       1.008584  38.40176       1.291577  -8.624523      1.407058  
1 1 1 -13 6  8  o 111.4163 1.204505  123.3183       2.669261  116.6831       3.557813  131.8626       4.037295  -6.809685      2.409010  
1 1 1 -13 6  9  o 223.8745 2.339611  501.2200       10.47024  492.5580       14.53166  510.5715       15.09893  -4.017517      4.679222  
1 1 1 -13 6  10 o 151.2296 1.601238  226.8857       4.809529  213.7865       6.368540  244.2732       7.337269  -10.07286      3.202477  
1 1 1 -13 6  11 f 281.9305 2.935116  795.0461       16.53788  812.3765       23.94118  779.2296       22.87165  5.864471       5.870232  
1 1 1 -13 6  12 o 104.8548 1.145749  109.9617       2.402698  109.5607       3.385018  110.3689       3.410986  -0.3852692     2.291498  
1 1 1 -13 6  13 o 203.0484 2.126846  412.1580       8.630153  421.7020       12.50757  403.4851       11.92315  4.479782       4.253693  
1 1 1 -13 6  14 o 163.1778 1.724266  265.1964       5.606256  253.5105       7.547921  279.5768       8.373006  -7.979828      3.448532  
1 1 1 -13 6  15 o 161.8106 2.426570  261.6207       7.841853  269.9551       11.46005  254.2819       10.75373  4.833908       4.853139  
1 1 1 -13 6  16 o 218.4366 2.284840  477.4593       9.980332  482.1094       14.26370  472.9989       13.96954  2.081604       4.569679  
1 1 1 -13 6  17 o 210.9234 2.208912  444.4840       9.304310  431.9595       12.74849  458.7591       13.61032  -6.341415      4.417823  
1 1 1 -13 6  18 f 71.18959 0.8277872 50.64486       1.177842  51.78204       1.702845  49.60169       1.630922  1.530983       1.655574  
1 1 1 -13 6  19 o 188.6051 1.985284  354.4343       7.461038  338.9161       10.04743  373.5105       11.13994  -9.155579      3.970569  
1 1 1 -13 6  20 o 201.5276 2.113998  406.5156       8.520234  404.8037       11.98600  408.2643       12.11388  -0.8564911     4.227996  
1 1 1 -13 6  21 o 289.8148 3.019686  841.5506       17.50070  849.0255       24.99221  834.3590       24.51417  2.518677       6.039371  
1 1 1 -13 6  22 o 174.5674 1.841183  304.7914       6.425031  310.3351       9.262474  299.6501       8.919935  3.055420       3.682366  
1 1 1 -13 6  23 o 96.99042 1.069693  93.31815       2.061838  87.63571       2.736186  100.7843       3.136368  -6.774956      2.139385  
1 1 1 -13 6  24 o 213.4968 2.237275  455.5238       9.538373  442.5136       13.06383  470.3785       13.95924  -6.509369      4.474551  
1 1 1 -13 6  25 o 33.84087 0.7074327 10.70320       0.4615322 14.56232       0.7918288 8.717500       0.5679932 8.634336       1.414865  
1 1 1 -13 6  26 o 143.3311 1.528239  205.3645       4.377378  210.2825       6.344701  200.8971       6.047109  3.269852       3.056478  
1 1 1 -13 6  27 o 226.5515 2.372650  514.0471       10.75042  512.6341       15.15911  515.4767       15.24806  -0.6253357     4.745299  
1 1 1 -13 6  28 o 88.63611 1.001896  78.58281       1.775974  78.95159       2.527967  78.22340       2.495558  0.4104385      2.003791  
1 1 1 -13 6  29 o 80.33671 0.9245369 64.55243       1.485425  64.01184       2.089262  65.10503       2.112343  -0.6801453     1.849074  
1 1 1 -13 6  30 o 244.3346 2.557090  598.2684       12.49478  602.4036       17.80057  594.2520       17.54283  1.660187       5.114179  
1 1 1 -13 6  31 o 286.7010 2.994448  824.1418       17.15796  807.7745       23.73469  842.0583       24.83255  -5.934021      5.988896  
1 1 1 -13 6  32 o 116.0244 1.263703  134.6648       2.931648  132.7587       4.089947  136.6790       4.204372  -1.687141      2.527406  
1 1 1 -13 6  33 o 107.3861 1.182568  114.7710       2.529247  108.9830       3.394982  121.9903       3.791580  -6.048393      2.365136  
1 1 1 -13 6  34 o 75.04933 0.8835254 56.34749       1.326109  56.54189       1.884955  56.15699       1.865992  0.2560806      1.767051  
1 1 1 -13 6  35 o 173.7064 1.840500  301.9675       6.386408  293.9826       8.776796  310.9526       9.310287  -4.861969      3.681000  
1 1 1 -13 6  36 o 103.1712 1.143695  106.5472       2.359911  106.1015       3.329770  106.9971       3.345119  -0.4335327     2.287391  
1 1 1 -13 6  37 o 95.27054 1.069546  90.82115       2.037352  89.37944       2.840537  92.34858       2.923767  -1.555443      2.139092  
1 1 1 -13 6  38 o 24.97786 0.6723601 6.204167       0.3341866 5.388290       0.4552331 7.157714       0.4921446 -3.541136      1.344720  
1 1 1 -13 6  39 o 37.87812 0.6574222 14.09131       0.4934435 16.64300       0.7604186 12.23529       0.6485297 5.815334       1.314844  
1 1 1 -13 6  40 o 23.79296 0.6926254 5.663537       0.3293916 5.396662       0.4622547 5.938831       0.4694897 -1.139120      1.385251  
1 1 1 -13 6  41 o 40.15685 0.6688763 15.98316       0.5346561 14.38592       0.7168507 17.98556       0.8026365 -4.479210      1.337753  
1 1 1 -13 6  42 o 66.25591 0.8348543 43.59803       1.100549  40.71786       1.468046  47.29363       1.662931  -4.953808      1.669709  
1 1 1 -13 6  43 o 48.34100 1.044294  23.18211       1.004733  20.74811       1.347473  26.22987       1.507824  -5.660542      2.088589  
1 1 1 -13 6  44 o 42.31180 2.258720  0.000000       0.000000  ?              ?         17.98562       1.911411  ?              ?         
1 1 1 -13 6  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 6  46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 6  47 o 25.33589 1.620855  6.439343       0.8213161 6.439343       0.8213161 ?              ?         ?              ?         
1 1 1 -13 6  48 o 42.95457 1.038446  18.31540       0.8875300 20.68325       1.336608  16.44800       1.186985  4.914986       2.076893  
1 1 1 -13 6  49 o 68.77202 1.069187  47.89929       1.398621  45.99434       2.353539  48.93930       1.738992  -2.208885      2.138374  
1 1 1 -13 6  50 o 70.19930 0.8908946 49.37792       1.250028  50.11212       1.805042  48.70133       1.732786  0.9975891      1.781789  
1 1 1 -13 6  51 o 14.45691 1.149844  2.100301       0.3323444 2.070714       0.4742730 2.128847       0.4658520 -0.2022524     2.299687  
1 1 1 -13 6  52 o 48.81437 0.7635536 23.86900       0.7452337 24.39079       1.069698  23.37690       1.038820  1.035347       1.527107  
1 1 1 -13 6  53 f 32.96074 0.7788447 10.73013       0.5090669 12.88193       0.7707884 9.065366       0.6779690 5.779480       1.557689  
1 1 1 -13 6  54 o 30.74309 0.7813939 9.468046       0.4799198 8.860906       0.6693745 10.11028       0.6884454 -2.029772      1.562788  
1 1 1 -13 6  55 o 40.92218 0.7677833 16.57035       0.6242051 19.01041       0.9492474 14.71143       0.8285334 5.237411       1.535567  
1 1 1 -13 6  56 o 35.52232 0.7950141 12.63526       0.5642505 11.92016       0.7804987 13.41818       0.8166712 -2.103489      1.590028  
1 1 1 -13 6  57 o 32.03078 1.278851  10.40131       0.7465970 10.48279       0.8908867 10.20910       1.368367  0.5352535      2.557702  
1 1 1 -13 6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 7  1  o 89.25986 1.418808  79.66703       2.532170  78.54080       3.531791  80.85832       3.632385  -1.297493      2.837616  
1 1 1 -13 7  2  o 406.9664 4.243010  1660.120       34.53330  1670.350       49.15161  1650.148       48.52927  2.469513       8.486020  
1 1 1 -13 7  3  o 88.97868 1.077830  78.37254       1.872732  82.84682       3.029205  75.60451       2.382608  4.066437       2.155661  
1 1 1 -13 7  4  o 298.1422 3.103209  886.9992       18.44997  853.1351       24.97817  927.6590       27.36993  -12.46378      6.206417  
1 1 1 -13 7  5  o 60.00476 0.7205163 35.89908       0.8629638 34.36256       1.175944  37.69219       1.270345  -2.774155      1.441033  
1 1 1 -13 7  6  o 113.4607 1.224695  127.1304       2.750972  118.0803       3.596081  139.8990       4.271429  -9.611313      2.449389  
1 1 1 -13 7  7  o 256.0536 2.670217  656.0145       13.67008  664.9771       19.62771  647.5717       19.05004  3.391663       5.340433  
1 1 1 -13 7  8  f 66.85847 0.8804851 42.26239       1.100637  51.57494       2.019285  38.32630       1.312791  9.905071       1.760970  
1 1 1 -13 7  9  o 71.73276 0.9022637 51.63901       1.286823  49.64055       1.905283  53.31529       1.744953  -2.562096      1.804527  
1 1 1 -13 7  10 o 216.0156 2.259223  466.9440       9.760313  465.2442       13.74658  468.6720       13.86046  -0.7921448     4.518445  
1 1 1 -13 7  11 o 548.5633 5.708807  3023.128       62.63181  3018.125       88.29147  3028.195       88.86078  -0.9014893     11.41761  
1 1 1 -13 7  12 o 213.0416 2.228903  454.1979       9.496972  453.7607       13.41941  454.6366       13.44211  -0.2052917     4.457805  
1 1 1 -13 7  13 o 243.4936 2.540598  592.8303       12.36075  579.5067       17.04468  607.6102       17.95207  -5.758469      5.081195  
1 1 1 -13 7  14 o 117.2466 1.263486  137.2429       2.958381  142.0569       4.328422  133.0225       4.052738  3.850739       2.526972  
1 1 1 -13 7  15 o 200.8721 2.984603  404.1012       11.99045  403.8352       16.94121  404.3683       16.97296  -0.1321259     5.969205  
1 1 1 -13 7  16 o 242.3367 2.529527  587.6346       12.25430  578.2507       17.02444  597.7245       17.65306  -4.007813      5.059054  
1 1 1 -13 7  17 o 220.2623 2.303942  485.5082       10.14682  479.5828       14.15882  491.7644       14.54865  -2.759109      4.607884  
1 1 1 -13 7  18 o 52.92060 0.7351842 27.58318       0.7711152 33.33945       1.168517  23.14269       1.026313  9.633247       1.470368  
1 1 1 -13 7  19 o 210.9772 2.210277  445.5985       9.326342  444.7959       13.17256  446.4053       13.20638  -0.3808136     4.420554  
1 1 1 -13 7  20 o 92.38771 1.024534  84.52174       1.878440  78.95833       2.477602  92.04316       2.880782  -7.078156      2.049069  
1 1 1 -13 7  21 o 142.8573 1.519633  204.1868       4.341811  204.0509       6.137974  204.3230       6.142523  -0.9521484E-01 3.039265  
1 1 1 -13 7  22 o 275.6876 2.875134  761.4104       15.85252  763.5943       22.49500  759.2560       22.34347  0.7834473      5.750268  
1 1 1 -13 7  23 o 176.9350 1.865727  312.5891       6.589491  302.3690       8.990126  324.4543       9.686708  -6.230331      3.731455  
1 1 1 -13 7  24 o 250.0250 2.611662  626.1743       13.05937  623.9351       18.40029  628.4470       18.53794  -0.8990936     5.223325  
1 1 1 -13 7  25 o 173.4510 1.833476  300.2719       6.345634  289.4937       8.628908  312.9654       9.364295  -6.753723      3.666952  
1 1 1 -13 7  26 o 203.4627 2.137434  414.4746       8.697458  412.8593       12.24010  416.1219       12.36092  -0.7992706     4.274868  
1 1 1 -13 7  27 o 134.7508 1.446162  181.2678       3.889846  188.1467       5.718884  175.3455       5.306393  4.743759       2.892325  
1 1 1 -13 7  28 o 207.1868 2.176413  429.8738       9.018033  432.2702       12.83001  427.5338       12.67820  1.139389       4.352825  
1 1 1 -13 7  29 f 178.3255 1.882956  316.9487       6.690290  334.1500       9.994588  302.9835       9.005518  8.716705       3.765912  
1 1 1 -13 7  30 o 131.6159 1.414983  173.3469       3.724526  172.3403       5.238082  174.3762       5.296963  -0.7723236     2.829965  
1 1 1 -13 7  31 o 130.8632 1.408532  171.3930       3.686424  170.6590       5.193051  172.1386       5.233971  -0.5644531     2.817064  
1 1 1 -13 7  32 o 187.0900 1.974335  350.6569       7.387516  351.2853       10.47049  350.0340       10.42471  0.3329315      3.948670  
1 1 1 -13 7  33 o 213.3210 2.242885  456.0358       9.564616  448.4664       13.28520  464.1811       13.78125  -3.662186      4.485770  
1 1 1 -13 7  34 o 47.65966 0.6832569 22.31324       0.6443648 25.58543       1.004705  20.02684       0.8398364 5.829025       1.366514  
1 1 1 -13 7  35 o 67.68652 0.8237280 45.83704       1.115097  45.76568       1.579388  45.90796       1.574593  -0.1052017     1.647456  
1 1 1 -13 7  36 f 47.83449 0.6859536 22.75837       0.6539379 24.45955       0.9761817 21.37347       0.8807753 3.223820       1.371907  
1 1 1 -13 7  37 o 61.00181 0.7728342 37.19263       0.9421315 38.20621       1.365906  36.27280       1.301198  1.583054       1.545668  
1 1 1 -13 7  38 o 48.59275 0.6973650 23.38528       0.6741221 21.26987       0.8990042 26.10268       1.018922  -4.969704      1.394730  
1 1 1 -13 7  39 o 52.83614 0.7254673 27.81571       0.7645504 29.53124       1.133277  26.38270       1.035766  2.976440       1.450935  
1 1 1 -13 7  40 o 85.83273 1.204943  74.10568       1.964692  72.86895       3.336646  74.76202       2.430760  -1.152634      2.409885  
1 1 1 -13 7  41 f 48.28055 0.9674170 23.34236       0.9339678 23.29055       1.333224  23.39227       1.308775  -0.1065445     1.934834  
1 1 1 -13 7  42 o 48.31880 0.9870465 23.31422       0.9522040 24.52559       1.397925  22.26569       1.300579  2.333313       1.974093  
1 1 1 -13 7  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 7  44 o 38.25920 0.8311405 14.52966       0.6030519 14.26349       0.7397770 15.05690       1.041168  -1.019741      1.662281  
1 1 1 -13 7  45 o 55.31950 0.7604799 30.63335       0.8413248 30.20112       1.181587  31.07783       1.198213  -0.7915115     1.520960  
1 1 1 -13 7  46 o 27.24461 0.7400007 7.430232       0.4030778 7.156695       0.5655742 7.712579       0.5746091 -1.019629      1.480001  
1 1 1 -13 7  47 o 49.41951 0.7452199 24.36928       0.7349804 25.78605       1.083857  23.16318       1.000034  2.648121       1.490440  
1 1 1 -13 7  48 o 29.03603 0.7440442 8.433047       0.4317083 8.935810       0.6223589 7.966777       0.5993467 1.666929       1.488088  
1 1 1 -13 7  49 o 52.54829 0.9483708 28.08519       0.9489176 29.05786       1.185492  26.35066       1.583086  2.615517       1.896742  
1 1 1 -13 7  50 o 81.95379 1.222803  66.05842       1.845271  63.92055       2.197059  71.17747       3.399738  -4.257294      2.445606  
1 1 1 -13 7  51 o 65.86449 1.228794  43.60466       1.618387  44.40531       2.315623  42.84013       2.262781  1.179848       2.457588  
1 1 1 -13 7  52 f 30.26330 1.106385  9.192359       0.6687726 9.878722       0.9613512 8.548711       0.9309555 2.192831       2.212770  
1 1 1 -13 7  53 o 26.31295 1.186017  6.960899       0.6239241 7.054990       0.8967885 6.872628       0.8686098 0.3416977      2.372035  
1 1 1 -13 7  54 o 22.90247 1.285987  5.235284       0.5836550 6.336735       0.8671337 4.322951       0.7891870 4.381416       2.571973  
1 1 1 -13 7  55 o 28.93342 1.082350  8.471893       0.6188890 8.041963       0.9370154 8.804585       0.8242674 -1.338766      2.164700  
1 1 1 -13 7  56 o 19.46524 1.515319  3.857960       0.5730079 5.089033       0.8327179 2.750787       0.7897030 5.995020       3.030638  
1 1 1 -13 7  57 o 72.17146 1.528460  52.79819       1.969807  52.88012       2.315818  52.58379       3.746077  0.6040726      3.056920  
1 1 1 -13 7  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 8  1  o 64.76419 1.137709  40.49385       1.439294  35.61039       1.813132  48.81406       2.366646  -10.19018      2.275417  
1 1 1 -13 8  2  o 244.8878 3.625154  600.8570       17.75413  604.4971       25.26881  597.3079       24.95047  1.461670       7.250307  
1 1 1 -13 8  3  o 275.3522 2.877241  758.8436       15.83954  749.0795       22.05712  769.2405       22.76041  -3.650269      5.754482  
1 1 1 -13 8  4  o 217.4738 2.275528  473.3101       9.897340  473.6417       14.01020  472.9796       13.98374  0.1519012      4.551056  
1 1 1 -13 8  5  o 173.0500 1.821684  298.0881       6.277767  284.2577       8.423699  315.3651       9.414989  -8.978577      3.643369  
1 1 1 -13 8  6  o 90.83228 1.005102  82.46495       1.824984  80.97136       2.532755  84.07783       2.631937  -1.709480      2.010203  
1 1 1 -13 8  7  o 183.4017 1.927104  335.4019       7.048200  322.4631       9.542892  350.9314       10.45472  -7.751999      3.854209  
1 1 1 -13 8  8  o 211.5721 2.214716  446.9864       9.354458  463.3300       13.73376  432.8420       12.77646  7.193893       4.429433  
1 1 1 -13 8  9  o 108.5748 1.180541  117.1765       2.551562  110.7886       3.414620  125.2532       3.839549  -6.658432      2.361081  
1 1 1 -13 8  10 o 292.3919 3.044708  854.0540       17.76655  886.7850       26.17163  826.0784       24.19590  10.34796       6.089416  
1 1 1 -13 8  11 o 311.5251 3.246965  970.6707       20.20097  997.6453       29.52099  946.9167       27.70261  8.108612       6.493929  
1 1 1 -13 8  12 o 401.7770 4.175536  1618.862       33.55170  1612.418       47.23427  1625.424       47.66723  -1.607941      8.351071  
1 1 1 -13 8  13 o 197.9172 2.078733  391.8813       8.226193  397.1827       11.79648  386.8628       11.47727  2.603073       4.157465  
1 1 1 -13 8  14 o 82.46298 0.9335850 67.98020       1.539243  66.78278       2.144346  69.25301       2.210813  -1.497391      1.867170  
1 1 1 -13 8  15 o 100.9704 1.577158  101.9580       3.184015  103.6705       4.569909  100.3424       4.438710  1.646584       3.154317  
1 1 1 -13 8  16 o 170.3683 1.800760  290.4050       6.135035  287.8829       8.592969  293.0274       8.761998  -1.507584      3.601520  
1 1 1 -13 8  17 o 50.62161 0.6576985 25.62693       0.6658562 25.35797       0.9387113 25.89930       0.9446425 -0.5346527     1.315397  
1 1 1 -13 8  18 o 158.4535 1.676759  251.1773       5.312796  248.3269       7.428219  254.1624       7.601636  -1.839050      3.353518  
1 1 1 -13 8  19 f 175.7796 1.853259  308.8772       6.508983  316.7252       9.457363  301.8141       8.971988  4.234222       3.706518  
1 1 1 -13 8  20 o 324.3723 3.376962  1054.815       21.90781  1053.685       30.94205  1055.951       31.02275  -0.3471680     6.753925  
1 1 1 -13 8  21 f 207.5769 2.176557  431.3378       9.036054  431.1371       12.77080  431.5391       12.78703  -0.9654236E-01 4.353114  
1 1 1 -13 8  22 o 36.03949 0.6017672 12.84959       0.4313887 11.40506       0.5772293 14.67710       0.6492538 -4.539154      1.203534  
1 1 1 -13 8  23 o 207.0097 2.171258  429.0343       8.989346  430.0088       12.74546  428.0697       12.68050  0.4671021      4.342516  
1 1 1 -13 8  24 o 47.40195 0.6527536 22.39822       0.6175576 23.59995       0.9098334 21.37156       0.8409452 2.350113       1.305507  
1 1 1 -13 8  25 o 18.89936 0.7150899 3.579351       0.2697661 3.395685       0.3866749 3.753516       0.3765407 -0.9467468     1.430180  
1 1 1 -13 8  26 o 36.58801 0.6242814 13.38991       0.4567687 13.19030       0.6472940 13.58789       0.6446511 -0.5433464     1.248563  
1 1 1 -13 8  27 o 259.8328 2.714860  676.5717       14.10621  670.4278       19.75186  682.9674       20.15256  -2.401001      5.429721  
1 1 1 -13 8  28 o 99.88671 1.113206  99.60352       2.219894  96.51243       3.032541  103.1722       3.258423  -3.330734      2.226413  
1 1 1 -13 8  29 f 176.7769 1.866943  312.8647       6.599995  315.3242       9.413358  310.4867       9.256230  1.364441       3.733886  
1 1 1 -13 8  30 o 182.6375 1.929673  333.9949       7.046858  338.1280       10.10111  330.0763       9.835718  2.196625       3.859346  
1 1 1 -13 8  31 o 142.8256 1.528389  204.1276       4.364484  201.1168       6.080872  207.3266       6.268005  -2.169281      3.056778  
1 1 1 -13 8  32 o 12.32657 1.051212  1.524585       0.2564683 1.252896       0.3572386 1.813550       0.3684219 -2.273953      2.102425  
1 1 1 -13 8  33 o 159.2681 1.694872  254.1012       5.398636  252.8628       7.601193  255.3616       7.668906  -0.7819824     3.389744  
1 1 1 -13 8  34 o 56.33089 0.7382525 31.74433       0.8317032 31.47544       1.176653  32.01281       1.175759  -0.4769936     1.476505  
1 1 1 -13 8  35 o 44.64966 0.6751685 19.80480       0.6008237 18.05050       0.8117418 21.93037       0.8935189 -4.343208      1.350337  
1 1 1 -13 8  36 o 80.09099 0.9364582 64.18711       1.499912  63.21538       2.105819  65.18774       2.136915  -1.230370      1.872916  
1 1 1 -13 8  37 o 87.57858 1.302142  75.03944       2.179500  82.79896       3.750888  71.08411       2.677983  6.639526       2.604285  
1 1 1 -13 8  38 o 53.74133 1.018422  28.90213       1.094343  28.09637       1.528759  29.74895       1.567227  -1.535885      2.036844  
1 1 1 -13 8  39 o 91.78029 1.466735  84.41348       2.691199  82.65236       3.739766  86.30498       3.875734  -1.980820      2.933471  
1 1 1 -13 8  40 o 51.46654 0.8770845 26.42161       0.8599930 26.20833       1.062875  26.82594       1.463459  -0.5830383     1.754169  
1 1 1 -13 8  41 o 72.27356 0.8766726 52.18059       1.265305  54.32058       1.852237  50.30817       1.732574  2.770256       1.753345  
1 1 1 -13 8  42 o 54.41523 0.7498454 29.17799       0.8084568 33.04535       1.252199  26.41365       1.058674  6.085434       1.499691  
1 1 1 -13 8  43 o 70.75606 0.8708907 49.94548       1.229266  52.69526       1.819447  47.63613       1.667379  3.566475       1.741781  
1 1 1 -13 8  44 o 13.77834 1.221405  2.046235       0.2897313 0.9570368      0.4007552 3.238920       0.4193615 -8.413085      2.442810  
1 1 1 -13 8  45 o 80.09715 0.9517350 64.28092       1.524620  64.03923       2.153672  64.52373       2.158612  -0.3020782     1.903470  
1 1 1 -13 8  46 o 69.20569 0.8649120 47.84817       1.195140  45.76628       1.633460  50.24664       1.753260  -3.228188      1.729824  
1 1 1 -13 8  47 o 33.59410 0.7221085 11.24740       0.4839973 12.17269       0.7144828 10.46272       0.6579570 2.541161       1.444217  
1 1 1 -13 8  48 o 23.80220 0.8123549 5.669145       0.3864432 5.960281       0.5573856 5.399667       0.5362532 1.175852       1.624710  
1 1 1 -13 8  49 o 118.6288 1.317312  141.2551       3.121104  145.9699       4.560505  137.1013       4.280594  3.696716       2.634623  
1 1 1 -13 8  50 o 87.66336 1.035832  77.11034       1.815792  75.80106       2.540052  78.47868       2.596719  -1.520042      2.071665  
1 1 1 -13 8  51 o 31.84684 0.7901723 10.19114       0.5015935 9.252648       0.7107591 11.12228       0.7079700 -2.935640      1.580345  
1 1 1 -13 8  52 o 63.68770 0.8575944 40.68155       1.092265  40.25927       1.549484  41.09864       1.539950  -0.6601028     1.715189  
1 1 1 -13 8  53 o 65.17139 0.8739042 42.49840       1.136793  44.26026       1.672669  40.98607       1.549701  2.496265       1.747808  
1 1 1 -13 8  54 o 22.39676 0.9549497 5.005946       0.4262048 5.401802       0.6367898 4.684719       0.5736344 1.591208       1.909899  
1 1 1 -13 8  55 o 62.67071 0.8730380 39.40273       1.093578  40.01908       1.579770  38.83563       1.515348  0.9342842      1.746076  
1 1 1 -13 8  56 f 35.02877 1.198308  12.31471       0.8395051 12.31471       0.8395051 ?              ?         ?              ?         
1 1 1 -13 8  57 o 16.11865 3.373261  2.774150       1.052331  2.774150       1.052331  ?              ?         ?              ?         
1 1 1 -13 8  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 9  1  o 318.5164 4.702545  1017.715       29.93481  1040.083       43.33674  997.3028       41.39819  6.657227       9.405089  
1 1 1 -13 9  2  o 48.67480 0.9686726 22.95697       0.9267117 27.94351       1.488237  19.79898       1.184345  8.364429       1.937345  
1 1 1 -13 9  3  o 88.75233 1.418791  78.74048       2.516929  77.24794       3.488143  80.36166       3.635371  -1.752892      2.837583  
1 1 1 -13 9  4  o 191.7242 2.013544  367.7732       7.719756  364.4317       10.80697  371.2547       11.03125  -1.776657      4.027087  
1 1 1 -13 9  5  o 333.3363 3.468092  1112.975       23.11332  1128.931       33.19599  1097.962       32.20107  4.624573       6.936183  
1 1 1 -13 9  6  o 106.4423 1.157792  112.5327       2.450847  120.5244       3.710608  106.3483       3.264189  6.655968       2.315584  
1 1 1 -13 9  7  o 236.3741 2.467898  559.0751       11.66279  551.1245       16.23660  567.5499       16.76335  -3.466629      4.935796  
1 1 1 -13 9  8  f 122.5175 1.315755  150.0505       3.222304  147.3012       4.469256  153.0268       4.650177  -2.335197      2.631510  
1 1 1 -13 9  9  o 175.8325 1.852700  308.0846       6.492817  324.0491       9.675850  295.0078       8.757188  8.247620       3.705401  
1 1 1 -13 9  10 o 319.6719 3.327775  1023.672       21.27087  1011.926       29.69760  1036.047       30.48081  -3.756073      6.655551  
1 1 1 -13 9  11 o 378.0830 3.935929  1433.524       29.75973  1426.738       41.78059  1440.512       42.39946  -1.805359      7.871858  
1 1 1 -13 9  12 o 235.1365 2.457494  553.1414       11.54992  564.5260       16.68633  542.6698       16.00317  4.635941       4.914987  
1 1 1 -13 9  13 o 81.70990 0.9302936 64.15554       1.476096  77.74947       2.473723  56.63881       1.839472  12.91378       1.860587  
1 1 1 -13 9  14 o 241.2968 2.520380  583.0322       12.16314  582.1608       17.17321  583.9094       17.22949  -0.3612518     5.040759  
1 1 1 -13 9  15 o 169.1717 2.533465  285.7878       8.551305  297.8481       12.62735  275.5717       11.62187  6.563812       5.066930  
1 1 1 -13 9  16 f 228.4857 2.389658  522.2609       10.91152  534.2134       15.80941  511.3875       15.07895  4.980957       4.779316  
1 1 1 -13 9  17 o 153.7469 1.631603  235.9869       5.007452  244.7916       7.359663  228.3976       6.832858  5.324631       3.263206  
1 1 1 -13 9  18 o 316.9714 3.301763  1006.536       20.92056  1024.760       30.16865  989.6549       29.03611  5.508362       6.603525  
1 1 1 -13 9  19 o 15.11795 0.7331163 2.263474       0.2193258 2.779255       0.3267492 1.840520       0.2958889 3.104527       1.466233  
1 1 1 -13 9  20 o 226.1153 2.366373  511.7061       10.69722  519.9366       15.38966  504.0122       14.87953  3.511429       4.732746  
1 1 1 -13 9  21 o 176.4832 1.864279  311.3892       6.574877  303.7973       9.078374  319.7639       9.534980  -4.516129      3.728558  
1 1 1 -13 9  22 o 151.7222 1.612273  230.3486       4.892345  230.7340       6.927053  229.9650       6.910617  0.2531738      3.224547  
1 1 1 -13 9  23 o 229.2304 2.399795  526.1565       11.00010  520.8199       15.38147  531.7430       15.73762  -2.374573      4.799590  
1 1 1 -13 9  24 o 170.1375 1.798315  289.5263       6.115579  284.1471       8.475404  295.3691       8.833155  -3.291534      3.596630  
1 1 1 -13 9  25 o 18.05238 0.7720263 3.278895       0.2687290 2.218570       0.3673249 4.499894       0.3941745 -6.318411      1.544053  
1 1 1 -13 9  26 o 99.61536 1.102589  99.13349       2.194369  102.1087       3.193324  96.47161       3.020495  2.827293       2.205178  
1 1 1 -13 9  27 o 96.28464 1.071440  91.80753       2.047059  99.99386       3.141278  85.76502       2.698798  7.383331       2.142879  
1 1 1 -13 9  28 o 180.9777 1.909882  327.9608       6.912724  326.6030       9.732176  329.3432       9.820560  -0.7548370     3.819764  
1 1 1 -13 9  29 o 114.2290 1.245780  130.5474       2.845739  131.8612       4.062951  129.2821       3.987087  1.127502       2.491560  
1 1 1 -13 9  30 o 114.5374 1.251508  131.0451       2.862890  135.5779       4.184271  127.0555       3.925575  3.715103       2.503015  
1 1 1 -13 9  31 o 173.0561 1.832280  299.6257       6.334994  307.6973       9.216908  292.3983       8.721663  4.403809       3.664559  
1 1 1 -13 9  32 o 124.9333 1.352802  156.1683       3.378778  153.3745       4.696501  159.1656       4.864554  -2.312782      2.705604  
1 1 1 -13 9  33 o 76.62415 1.103429  57.23553       1.550544  62.56541       2.887834  55.07661       1.837941  4.859413       2.206857  
1 1 1 -13 9  34 o 105.7255 1.644386  111.5781       3.466338  117.3813       5.151790  106.7776       4.685590  4.993393       3.288771  
1 1 1 -13 9  35 o 179.4812 2.693814  324.2602       9.669693  324.8731       13.70874  323.6533       13.64153  0.3339996      5.387628  
1 1 1 -13 9  36 o 87.92926 1.408125  77.02979       2.465675  81.99577       3.699868  73.06223       3.307082  5.060966       2.816251  
1 1 1 -13 9  37 o 26.56433 0.7899032 6.994854       0.4024923 6.832451       0.4997664 7.294619       0.6789852 -0.8642750     1.579806  
1 1 1 -13 9  38 o 74.42665 0.8913521 54.59922       1.312698  61.21172       2.045859  49.97176       1.711452  7.537643       1.782704  
1 1 1 -13 9  39 o 34.15360 0.6572365 11.67352       0.4488486 11.42770       0.6357645 11.91782       0.6337757 -0.7175903     1.314473  
1 1 1 -13 9  40 o 82.93356 0.9680206 68.66769       1.602109  71.89098       2.362504  65.92332       2.179939  3.588646       1.936041  
1 1 1 -13 9  41 o 20.41720 0.7997090 4.149636       0.3224018 5.147361       0.4754355 3.300251       0.4386705 4.521814       1.599418  
1 1 1 -13 9  42 o 65.06564 0.8237450 42.28353       1.070185  44.09773       1.569275  40.70624       1.463224  2.600876       1.647490  
1 1 1 -13 9  43 o 38.49365 0.6977978 14.82619       0.5365543 13.83701       0.7503346 15.86132       0.7675634 -2.628567      1.395596  
1 1 1 -13 9  44 o 12.21076 1.363934  1.594868       0.3096845 1.140831       0.4650038 1.956759       0.4151449 -3.523863      2.727868  
1 1 1 -13 9  45 o 84.51244 0.9945097 71.55800       1.680571  70.20123       2.345740  72.98882       2.408891  -1.644043      1.989019  
1 1 1 -13 9  46 o 31.73924 0.7386104 9.973179       0.4660763 11.22637       0.7070471 9.010184       0.6197994 3.485416       1.477221  
1 1 1 -13 9  47 o 79.06572 0.9557935 62.65392       1.510707  63.48408       2.175411  61.88068       2.099535  1.006523       1.911587  
1 1 1 -13 9  48 o 48.54652 0.7583676 23.18684       0.7287529 26.64824       1.134281  20.75369       0.9509988 6.056065       1.516735  
1 1 1 -13 9  49 f 38.17022 0.7488563 14.39358       0.5672832 16.30908       0.8705059 12.97965       0.7478993 4.350483       1.497713  
1 1 1 -13 9  50 o 50.23801 0.7746376 25.13252       0.7751886 27.06985       1.161799  23.57792       1.040730  3.463314       1.549275  
1 1 1 -13 9  51 o 44.86823 0.7697031 20.10864       0.6891093 18.31733       0.9467109 22.12729       1.004994  -4.239635      1.539406  
1 1 1 -13 9  52 o 45.90018 0.7747314 21.12111       0.7107217 20.10745       0.9996974 22.15703       1.010616  -2.231430      1.549463  
1 1 1 -13 9  53 f 38.90491 0.7791739 15.17487       0.6056528 15.17584       0.8765704 15.17399       0.8377899 -0.2159119E-02 1.558348  
1 1 1 -13 9  54 o 32.67311 0.8256938 10.74811       0.5376297 10.05011       0.7762223 11.39172       0.7453626 -2.057423      1.651388  
1 1 1 -13 9  55 o 22.04816 0.9793159 4.833223       0.4291507 5.348965       0.6530316 4.441180       0.5693578 2.044172       1.958632  
1 1 1 -13 9  56 o 25.14191 1.473025  6.507175       0.6881474 6.717798       0.8393192 6.075233       1.201953  1.374645       2.946049  
1 1 1 -13 9  57 o 25.34475 3.026932  6.589658       1.534336  6.589658       1.534336  ?              ?         ?              ?         
1 1 1 -13 9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 10 1  f 123.6823 1.893276  153.0728       4.682800  151.8923       6.565834  154.2950       6.680618  -0.9696274     3.786552  
1 1 1 -13 10 2  o 324.6231 4.793765  1058.815       31.12101  1051.751       43.69284  1066.088       44.33775  -2.185181      9.587530  
1 1 1 -13 10 3  f 149.1629 2.249719  222.7224       6.711340  223.6510       9.530104  221.8087       9.452904  0.6162567      4.499438  
1 1 1 -13 10 4  o 165.2116 2.478399  273.2464       8.188216  276.0777       11.69066  270.5200       11.47220  1.678070       4.956798  
1 1 1 -13 10 5  o 149.3206 2.251329  222.6799       6.710600  231.1941       9.862264  215.3392       9.157339  5.297607       4.502658  
1 1 1 -13 10 6  o 170.8178 2.221303  290.2321       7.075188  297.1754       12.59450  287.0306       8.552197  2.905884       4.442607  
1 1 1 -13 10 7  o 88.87104 1.086435  75.87122       1.833630  88.85676       3.234639  69.72252       2.225806  10.75725       2.172870  
1 1 1 -13 10 8  o 339.1485 3.529900  1152.744       23.93521  1169.494       34.38443  1136.998       33.33878  4.763702       7.059799  
1 1 1 -13 10 9  o 257.3350 2.684953  662.8481       13.81184  652.0383       19.17705  674.4992       19.90932  -4.349457      5.369906  
1 1 1 -13 10 10 o 78.99284 0.9003550 61.68521       1.409966  57.29054       1.851778  67.74776       2.174971  -6.616867      1.800710  
1 1 1 -13 10 11 o 141.4972 1.509990  200.1319       4.269659  196.0738       5.897273  204.6025       6.189758  -3.010284      3.019981  
1 1 1 -13 10 12 o 205.3336 2.153701  420.5081       8.816853  440.8487       13.10406  403.6832       11.91799  9.029617       4.307402  
1 1 1 -13 10 13 o 141.6613 1.507640  200.7407       4.270705  202.9005       6.109838  198.6773       5.971902  1.488922       3.015280  
1 1 1 -13 10 14 o 170.4361 1.798372  290.6287       6.128888  287.4730       8.564233  293.9414       8.774713  -1.894577      3.596745  
1 1 1 -13 10 15 o 149.0690 1.584468  222.1448       4.720443  217.5341       6.527647  227.1989       6.834336  -3.237885      3.168936  
1 1 1 -13 10 16 o 153.4348 1.627997  234.5986       4.978832  246.7314       7.416985  224.6473       6.717176  7.187714       3.255994  
1 1 1 -13 10 17 o 112.3446 1.221948  126.1863       2.744479  123.9634       3.816215  128.5675       3.949791  -2.047813      2.443896  
1 1 1 -13 10 18 o 27.72515 0.6136528 7.637126       0.3382937 6.560970       0.4601247 8.903245       0.4990859 -4.223902      1.227306  
1 1 1 -13 10 19 o 105.3339 1.152337  110.8945       2.425916  113.3843       3.510249  108.6180       3.356444  2.260925       2.304674  
1 1 1 -13 10 20 o 152.4062 1.618556  232.3135       4.931497  228.6026       6.856209  236.2912       7.098479  -2.518921      3.237113  
1 1 1 -13 10 21 o 57.76739 0.7326367 31.62214       0.8177299 40.38243       1.394945  27.03563       1.009344  11.54957       1.465273  
1 1 1 -13 10 22 o 122.6669 1.326299  149.6636       3.238403  142.0906       4.333453  159.2421       4.873565  -6.984138      2.652597  
1 1 1 -13 10 23 o 84.67326 0.9641785 71.48914       1.628934  74.87095       2.405951  68.62696       2.213398  3.685204       1.928357  
1 1 1 -13 10 24 o 222.1017 2.327714  493.7779       10.33387  503.4053       14.91923  484.8992       14.32734  4.151215       4.655428  
1 1 1 -13 10 25 o 186.1590 1.962885  346.9788       7.308166  346.5201       10.32582  347.4393       10.34482  -0.2464752     3.925771  
1 1 1 -13 10 26 o 55.78658 0.7302492 30.52499       0.8055998 27.24810       1.047726  35.26420       1.260000  -7.182732      1.460498  
1 1 1 -13 10 27 o 131.3842 1.529632  172.6663       3.973003  173.4696       6.106404  172.0766       5.231796  0.5120850      3.059264  
1 1 1 -13 10 28 o 211.9280 2.409013  449.7625       10.08822  453.4774       15.54492  447.0595       13.25981  1.430176       4.818026  
1 1 1 -13 10 29 o 119.9650 1.411183  144.5036       3.370566  138.4909       4.946706  149.7144       4.605015  -4.685646      2.822365  
1 1 1 -13 10 30 o 142.9985 2.434097  203.4003       5.506482  207.9338       12.55817  202.3212       6.126879  1.689331       4.868194  
1 1 1 -13 10 31 o 53.23805 0.9978914 28.28292       1.061064  26.72533       1.456681  30.04347       1.548685  -3.114346      1.995783  
1 1 1 -13 10 32 o 54.00458 1.011127  28.26344       1.072610  24.44633       1.368492  34.34359       1.727158  -9.154671      2.022254  
1 1 1 -13 10 33 o 86.77162 1.203483  75.97591       2.008513  77.63409       2.530973  73.15547       3.300897  2.606010       2.406965  
1 1 1 -13 10 34 o 69.27789 0.8433847 47.98624       1.167995  46.80263       1.621264  49.26341       1.684117  -1.774323      1.686769  
1 1 1 -13 10 35 o 60.61465 0.7747545 36.76352       0.9392059 36.51366       1.329444  37.01246       1.327034  -0.4115105     1.549509  
1 1 1 -13 10 36 o 39.33545 0.6648018 15.48362       0.5227398 15.36995       0.7497958 15.59111       0.7291673 -0.2816544     1.329604  
1 1 1 -13 10 37 o 41.21081 0.6713254 16.98874       0.5528756 16.07205       0.7748479 17.93949       0.7891157 -2.265293      1.342651  
1 1 1 -13 10 38 f 71.97620 0.8712087 51.81742       1.253195  52.85617       1.814158  50.86933       1.733184  1.376884       1.742417  
1 1 1 -13 10 39 o 65.00821 1.142646  42.33080       1.485416  41.36999       2.084236  43.32258       2.117551  -1.499855      2.285292  
1 1 1 -13 10 40 o 48.70324 0.7160079 23.64720       0.6955355 24.93980       1.030965  22.56743       0.9422782 2.432076       1.432016  
1 1 1 -13 10 41 o 77.03487 0.9221288 59.34513       1.419046  61.05195       2.067845  57.82587       1.950922  2.087547       1.844258  
1 1 1 -13 10 42 o 12.86694 1.716959  1.718775       0.4238119 1.721714       0.6322362 1.716377       0.5711320 -0.1242352E-01 3.433918  
1 1 1 -13 10 43 o 59.12233 0.7914659 34.96292       0.9348748 35.72255       1.359265  34.28102       1.287849  1.215130       1.582932  
1 1 1 -13 10 44 o 21.35097 0.8869456 4.708599       0.3609925 3.079382       0.5099521 6.345098       0.5110908 -7.647621      1.773891  
1 1 1 -13 10 45 o 43.73384 0.7238513 19.11891       0.6319984 19.66333       0.9268714 18.64584       0.8639985 1.159313       1.447703  
1 1 1 -13 10 46 o 115.3869 1.284425  133.7150       2.963197  135.3538       4.253485  132.1697       4.130412  1.364098       2.568849  
1 1 1 -13 10 47 o 25.14230 0.8116030 6.273599       0.4061343 7.127971       0.6082978 5.586434       0.5455355 3.060263       1.623206  
1 1 1 -13 10 48 o 40.26723 0.7336224 16.10421       0.5875837 17.55234       0.8896631 14.98380       0.7825431 3.180401       1.467245  
1 1 1 -13 10 49 o 39.19153 0.7448414 15.39445       0.5829501 14.31780       0.8189695 16.50023       0.8299724 -2.783310      1.489683  
1 1 1 -13 10 50 o 57.74241 0.8157400 33.42200       0.9419262 32.64813       1.324718  34.21333       1.339576  -1.353703      1.631480  
1 1 1 -13 10 51 o 27.99898 0.8310409 7.909133       0.4612121 6.707289       0.6530340 9.105241       0.6514736 -4.282393      1.662082  
1 1 1 -13 10 52 o 21.66655 0.9644232 4.741661       0.4149199 4.403675       0.6106188 5.031587       0.5655409 -1.455374      1.928846  
1 1 1 -13 10 53 o 37.84937 0.7989497 14.39538       0.6028598 13.04894       0.8513855 15.74936       0.8537645 -3.567024      1.597899  
1 1 1 -13 10 54 o 29.34718 0.8636013 8.586887       0.5034173 9.118484       0.7663749 8.183409       0.6676674 1.578117       1.727203  
1 1 1 -13 10 55 f 64.01309 0.9677578 41.09884       1.227645  40.64510       1.625554  41.70119       1.872906  -0.7820816     1.935516  
1 1 1 -13 10 56 o 40.58314 1.365593  16.46403       1.080702  15.87911       1.371901  17.42055       1.754366  -1.797039      2.731187  
1 1 1 -13 10 57 o 29.41125 2.832374  8.854692       1.666073  8.854692       1.666073  ?              ?         ?              ?         
1 1 1 -13 10 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 11 1  o 297.5365 4.398718  887.6320       26.13699  915.7823       38.22344  862.9105       35.82008  8.800507       8.797437  
1 1 1 -13 11 2  o 174.6236 2.614702  304.4809       9.108438  293.2477       12.36322  317.8163       13.47044  -7.011444      5.229403  
1 1 1 -13 11 3  o 148.0383 1.577927  218.6144       4.659909  228.1442       6.891756  210.5878       6.324887  5.922455       3.155854  
1 1 1 -13 11 4  o 239.3936 2.502686  572.2789       11.95291  552.1361       16.23637  596.1123       17.66131  -9.156097      5.005372  
1 1 1 -13 11 5  o 99.76752 1.093240  99.34734       2.177757  103.1362       3.193130  96.05236       2.977764  3.548256       2.186480  
1 1 1 -13 11 6  o 147.0635 1.916648  217.2448       5.334442  218.9169       6.570962  214.0127       9.135772  1.706512       3.833296  
1 1 1 -13 11 7  o 175.8463 2.631110  309.7084       9.253421  309.6779       13.08302  309.7390       13.08961  -0.1724243E-01 5.262220  
1 1 1 -13 11 8  o 199.5823 2.972487  398.9814       11.86140  404.9285       17.03270  393.3817       16.52778  2.880646       5.944973  
1 1 1 -13 11 9  o 109.0756 1.695014  118.0650       3.673617  127.4348       5.593074  110.9559       4.871839  7.544037       3.390029  
1 1 1 -13 11 10 o 46.62563 0.8491386 21.88173       0.7741290 21.06137       1.219428  22.43554       1.001912  -1.475079      1.698277  
1 1 1 -13 11 11 o 25.88757 0.7799901 7.196084       0.3569418 5.600358       0.6440067 7.903644       0.4288367 -4.449881      1.559980  
1 1 1 -13 11 12 o 157.2158 1.664518  247.2180       5.231978  243.6689       7.285674  250.9971       7.518064  -2.327606      3.329036  
1 1 1 -13 11 13 o 186.1449 1.958068  346.5528       7.285447  340.2096       10.09903  353.4362       10.52023  -3.546356      3.916135  
1 1 1 -13 11 14 o 203.0545 2.137975  412.7160       8.682358  410.0244       12.23725  415.4445       12.32059  -1.333237      4.275949  
1 1 1 -13 11 15 o 55.76635 0.7103514 31.07845       0.7919254 30.30275       1.100171  31.91255       1.140839  -1.443111      1.420703  
1 1 1 -13 11 16 o 107.3384 1.173177  113.6601       2.490764  125.7149       3.884900  105.2463       3.245617  9.528259       2.346355  
1 1 1 -13 11 17 o 183.2930 1.931900  336.2524       7.081713  338.3602       10.07669  334.1953       9.954538  1.134048       3.863801  
1 1 1 -13 11 18 o 180.8864 1.906191  327.0508       6.888071  336.4330       10.03516  318.6927       9.471652  4.894012       3.812381  
1 1 1 -13 11 19 o 163.0660 1.729861  265.5316       5.630862  257.2836       7.685001  275.0926       8.274070  -5.451233      3.459723  
1 1 1 -13 11 20 f 307.6115 3.206288  948.7880       19.72378  956.3038       28.13639  941.5260       27.65706  2.387207       6.412577  
1 1 1 -13 11 21 o 228.2447 2.391666  521.7092       10.91588  516.4493       15.27095  527.2049       15.60936  -2.347916      4.783332  
1 1 1 -13 11 22 f 276.3962 2.886126  765.8422       15.95374  769.1401       22.67425  762.6085       22.45138  1.174713       5.772251  
1 1 1 -13 11 23 o 96.84731 1.079343  92.54392       2.068663  102.4891       3.219431  85.55025       2.699760  8.738876       2.158686  
1 1 1 -13 11 24 o 172.9796 1.829447  299.1284       6.321574  291.4214       8.689373  307.7936       9.213767  -4.721176      3.658893  
1 1 1 -13 11 25 o 133.8812 1.438372  179.3534       3.851061  177.8788       5.401904  180.8774       5.491652  -1.118240      2.876744  
1 1 1 -13 11 26 o 173.8861 2.269397  298.8567       7.292128  313.7709       13.27517  292.4119       8.726591  5.996246       4.538795  
1 1 1 -13 11 27 o 137.4408 2.080379  188.1999       5.692571  178.8193       7.625942  200.0050       8.554929  -7.676819      4.160759  
1 1 1 -13 11 28 o 100.9502 1.575714  101.7621       3.175043  98.04362       4.328279  106.0940       4.671743  -3.978279      3.151427  
1 1 1 -13 11 29 o 159.1963 2.392359  253.9736       7.610977  248.3622       10.51355  260.1524       11.03228  -3.679199      4.784718  
1 1 1 -13 11 30 o 40.85271 0.7948961 16.26928       0.6182003 15.38060       0.7558082 18.06556       1.074544  -3.280579      1.589792  
1 1 1 -13 11 31 f 117.8726 1.288226  139.0970       3.036902  139.3632       4.305718  138.8335       4.284020  0.2240219      2.576452  
1 1 1 -13 11 32 o 110.8153 1.218406  122.4002       2.690602  129.1106       4.015419  116.9322       3.624682  5.481461       2.436813  
1 1 1 -13 11 33 o 18.58689 0.8010470 3.390757       0.2949106 4.010262       0.4556994 2.944325       0.3868422 2.865662       1.602094  
1 1 1 -13 11 34 o 40.68064 0.6676164 16.33642       0.5393546 14.11819       0.7191399 19.18843       0.8154270 -6.229565      1.335233  
1 1 1 -13 11 35 o 90.60617 1.031356  82.17622       1.868621  82.96706       2.672244  81.41949       2.613979  0.8516541      2.062711  
1 1 1 -13 11 36 o 67.71352 0.8350446 45.87434       1.130664  44.92302       1.581023  46.87020       1.617604  -1.436455      1.670089  
1 1 1 -13 11 37 o 59.28767 0.7763491 35.17951       0.9204977 35.06527       1.308120  35.29156       1.295532  -0.1913033     1.552698  
1 1 1 -13 11 38 f 36.10584 0.9378691 12.95588       0.6721036 10.87741       0.9120340 15.42613       0.9942788 -6.295242      1.875738  
1 1 1 -13 11 39 o 56.00117 0.7572505 31.07945       0.8423186 33.97916       1.286109  28.90138       1.114643  4.526604       1.514501  
1 1 1 -13 11 40 f 112.5406 1.247169  126.0197       2.791047  118.5911       3.714595  135.6512       4.229644  -7.542213      2.494339  
1 1 1 -13 11 41 o 82.43743 0.9705691 67.87189       1.597147  64.83646       2.177650  71.40546       2.349547  -3.972992      1.941138  
1 1 1 -13 11 42 o 30.54304 0.7225112 9.286504       0.4389964 9.819862       0.6625535 8.869107       0.5861188 1.552551       1.445022  
1 1 1 -13 11 43 o 26.47095 0.7618741 6.925344       0.4004950 8.157200       0.6043675 5.960872       0.5347683 4.144428       1.523748  
1 1 1 -13 11 44 o 33.78246 0.7155360 11.41706       0.4824013 11.56762       0.7079558 11.28656       0.6590984 0.4129982      1.431072  
1 1 1 -13 11 45 o 73.86426 0.9070755 54.53658       1.338023  52.05448       1.832327  57.37217       1.958465  -3.588676      1.814151  
1 1 1 -13 11 46 o 28.74302 0.7590172 8.183928       0.4338989 9.290176       0.6552119 7.319855       0.5790698 3.421432       1.518034  
1 1 1 -13 11 47 o 38.76913 0.7285030 15.06450       0.5640496 14.06642       0.7946233 16.07811       0.8007856 -2.593945      1.457006  
1 1 1 -13 11 48 o 40.07985 0.7433435 16.03661       0.5940285 14.36277       0.8159468 17.92426       0.8664966 -4.438457      1.486687  
1 1 1 -13 11 49 o 55.00892 0.7945030 30.23609       0.8717354 31.56721       1.290740  29.11970       1.182057  2.213257       1.589006  
1 1 1 -13 11 50 o 12.83358 1.346483  1.648239       0.3440745 1.765606       0.5169802 1.554912       0.4610059 0.8105516      2.692966  
1 1 1 -13 11 51 o 36.13020 0.7756020 13.03070       0.5585466 13.73457       0.8322311 12.45380       0.7534413 1.763523       1.551204  
1 1 1 -13 11 52 o 26.76077 0.8825578 7.251615       0.4679579 6.475313       0.6845617 7.932587       0.6411537 -2.728634      1.765116  
1 1 1 -13 11 53 o 30.49354 0.8365821 9.267329       0.5084178 10.14792       0.7581079 8.547552       0.6854000 2.613525       1.673164  
1 1 1 -13 11 54 o 30.26285 0.9414803 9.258780       0.5654362 9.819762       0.7688872 8.598092       0.8344222 2.029282       1.882961  
1 1 1 -13 11 55 o 37.40466 1.037074  13.94445       0.7704570 13.05952       1.019750  15.12150       1.176076  -2.725697      2.074148  
1 1 1 -13 11 56 o 15.94790 1.987896  2.454905       0.6012814 3.692855       1.003593  1.761709       0.7509891 6.165005       3.975792  
1 1 1 -13 11 57 o 22.64589 2.501075  5.229825       1.132782  5.229825       1.132782  ?              ?         ?              ?         
1 1 1 -13 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 12 1  o 86.42701 1.402054  73.77699       2.401325  81.63992       3.713272  68.12499       3.148224  7.812332       2.804108  
1 1 1 -13 12 2  o 134.4454 2.048525  180.9234       5.508249  181.4085       7.808990  180.4430       7.770832  0.3584747      4.097050  
1 1 1 -13 12 3  o 115.2879 1.245690  132.1281       2.857613  125.2637       3.816818  140.8835       4.310641  -6.769417      2.491379  
1 1 1 -13 12 4  o 216.4590 2.267796  468.5171       9.807716  480.9162       14.26026  457.3875       13.51050  5.421600       4.535591  
1 1 1 -13 12 5  o 214.6127 2.247904  460.1547       9.631734  446.0874       13.16414  476.3615       14.12972  -7.036209      4.495808  
1 1 1 -13 12 6  o 149.7586 1.589846  224.2633       4.759412  228.4999       6.864151  220.3406       6.604976  2.720947       3.179691  
1 1 1 -13 12 7  o 161.1693 1.705556  258.6318       5.474645  246.7268       7.350584  273.4623       8.204192  -8.282822      3.411112  
1 1 1 -13 12 8  o 101.7579 1.116646  102.2827       2.250274  94.95485       2.944574  112.5705       3.488974  -8.650902      2.233292  
1 1 1 -13 12 9  o 103.7187 1.135097  107.5717       2.354027  106.1272       3.285048  109.0964       3.374967  -1.430557      2.270194  
1 1 1 -13 12 10 o 98.05711 1.080888  96.02052       2.117097  99.16451       3.089198  93.23618       2.907144  3.021309       2.161777  
1 1 1 -13 12 11 o 26.39342 0.7980958 6.683838       0.3651126 6.418819       0.4179332 7.538000       0.7503064 -2.118059      1.596192  
1 1 1 -13 12 12 o 128.5572 1.966153  164.8089       5.039939  158.0483       6.816317  172.9625       7.485720  -5.789551      3.932306  
1 1 1 -13 12 13 o 124.1877 1.906811  154.2884       4.734091  151.9238       6.582800  156.8214       6.813173  -1.968063      3.813621  
1 1 1 -13 12 14 o 371.3700 5.492454  1388.505       40.76710  1362.103       56.42960  1417.328       58.96039  -7.312256      10.98491  
1 1 1 -13 12 15 o 243.2665 3.146962  584.7296       14.10745  615.2304       25.82223  571.7526       16.84331  8.684937       6.293924  
1 1 1 -13 12 16 o 72.69434 1.064452  52.46200       1.436744  53.92785       2.580500  51.80346       1.729628  1.452972       2.128903  
1 1 1 -13 12 17 o 176.6191 1.864460  311.9528       6.580845  318.9722       9.534328  305.5659       9.094672  3.787491       3.728920  
1 1 1 -13 12 18 o 70.05573 0.8327787 49.02730       1.165843  50.51009       1.691428  47.68528       1.609150  2.015450       1.665557  
1 1 1 -13 12 19 f 161.5969 1.713182  259.2751       5.499738  278.7178       8.379194  244.5596       7.289721  10.54968       3.426365  
1 1 1 -13 12 20 o 45.85741 0.6618201 20.79849       0.6029662 23.07916       0.9197559 19.07956       0.7984905 4.360054       1.323640  
1 1 1 -13 12 21 o 170.0994 1.798920  289.2232       6.112658  281.7199       8.403083  297.6557       8.908223  -4.674133      3.597839  
1 1 1 -13 12 22 o 35.28517 0.6337743 12.42243       0.4466732 13.04691       0.6523124 11.87113       0.6129097 1.665817       1.267549  
1 1 1 -13 12 23 o 47.96076 0.8196025 22.89570       0.7468311 23.36474       1.280004  22.65361       0.9195820 0.7377205      1.639205  
1 1 1 -13 12 24 o 271.2394 4.018243  739.2043       21.76902  761.2898       31.78141  719.6838       29.87870  7.564209       8.036487  
1 1 1 -13 12 25 o 120.4286 1.837585  144.7964       4.415243  139.2166       5.997884  151.3967       6.523353  -5.042168      3.675169  
1 1 1 -13 12 26 o 119.5026 1.827576  142.2958       4.350121  135.4515       5.842616  150.8097       6.516384  -6.405945      3.655152  
1 1 1 -13 12 27 o 60.58804 0.9239748 37.05846       1.077460  38.00275       1.360294  35.46852       1.765117  2.097889       1.847950  
1 1 1 -13 12 28 o 82.05080 0.9485924 65.74802       1.529142  75.86316       2.457807  59.35998       1.953194  10.04681       1.897185  
1 1 1 -13 12 29 o 31.66754 0.6590543 10.02821       0.4168271 9.319754       0.5830741 10.76868       0.5961070 -2.287523      1.318109  
1 1 1 -13 12 30 o 23.25163 0.7003770 5.284690       0.3218794 6.486643       0.4989474 4.427885       0.4212619 4.425747       1.400754  
1 1 1 -13 12 31 o 40.54163 0.6607929 16.04362       0.5288271 19.10928       0.8331921 13.97551       0.6843369 6.328590       1.321586  
1 1 1 -13 12 32 o 23.54921 0.7111716 5.486896       0.3330824 6.276294       0.5017859 4.865087       0.4453477 2.994976       1.422343  
1 1 1 -13 12 33 o 24.44192 0.7183401 5.636110       0.3391347 8.289974       0.5535631 4.041566       0.4290876 8.687759       1.436680  
1 1 1 -13 12 34 o 51.23794 0.7172954 26.24689       0.7344539 26.77768       1.064359  25.76442       1.014764  0.9873466      1.434591  
1 1 1 -13 12 35 f 46.77182 0.7078444 21.35928       0.6539577 18.34642       0.8493389 25.74611       1.024865  -7.904854      1.415689  
1 1 1 -13 12 36 o 33.24627 0.6709623 10.94002       0.4432809 12.13037       0.6752688 10.03863       0.5876185 3.143057       1.341925  
1 1 1 -13 12 37 o 72.83887 1.231887  53.15052       1.794235  51.98383       2.508815  54.37201       2.567051  -1.635696      2.463773  
1 1 1 -13 12 38 o 83.35017 0.9735140 69.54629       1.622204  70.48266       2.333200  68.67008       2.256984  1.083305       1.947028  
1 1 1 -13 12 39 o 43.34770 0.7023643 18.73956       0.6072993 16.92988       0.8342782 20.77935       0.8857312 -4.438133      1.404729  
1 1 1 -13 12 40 o 20.97898 0.8532711 4.495988       0.3492129 3.411362       0.4998631 5.530046       0.4880714 -5.050196      1.706542  
1 1 1 -13 12 41 o 67.06974 1.209039  44.99747       1.619419  42.99750       2.217968  47.28099       2.369993  -3.180435      2.418078  
1 1 1 -13 12 42 o 14.27720 1.221683  1.930748       0.3081149 3.490468       0.5072303 1.018684       0.3878776 8.773760       2.443366  
1 1 1 -13 12 43 f 34.22516 0.7145821 11.74023       0.4883518 11.47807       0.7062467 11.98043       0.6760125 -0.7357330     1.429164  
1 1 1 -13 12 44 o 12.41003 1.273449  1.500015       0.3111922 1.852173       0.4942989 1.268793       0.4005307 2.339220       2.546898  
1 1 1 -13 12 45 o 47.61086 0.7433330 22.65685       0.7065404 23.46747       1.037098  21.95477       0.9651725 1.583050       1.486666  
1 1 1 -13 12 46 o 23.48494 0.8521332 5.570076       0.3971070 4.913313       0.5727070 6.178225       0.5511041 -2.695023      1.704266  
1 1 1 -13 12 47 o 21.15443 0.9419933 4.643822       0.3829105 3.269918       0.5542781 5.898104       0.5295989 -6.214565      1.883987  
1 1 1 -13 12 48 o 25.88945 0.8362253 6.721095       0.4306156 6.707439       0.6431718 6.732189       0.5797232 -0.5466270E-01 1.672451  
1 1 1 -13 12 49 o 19.69648 0.9778546 3.863256       0.3836863 4.287158       0.5732970 3.519341       0.5163835 1.941557       1.955709  
1 1 1 -13 12 50 o 46.04810 0.7775416 21.25659       0.7152511 21.25581       1.036816  21.25731       0.9879859 -0.7099152E-02 1.555083  
1 1 1 -13 12 51 o 24.70006 0.8926627 5.929166       0.4334253 7.695219       0.6811046 4.727316       0.5618721 5.992050       1.785325  
1 1 1 -13 12 52 o 10.65078 1.739408  1.190482       0.3585809 1.223244       0.5638914 1.168240       0.4646227 0.2159033      3.478816  
1 1 1 -13 12 53 o 57.10400 0.8392982 32.60058       0.9555727 34.21745       1.420056  31.26259       1.291798  2.568275       1.678596  
1 1 1 -13 12 54 o 30.06653 0.9498923 9.029983       0.5681602 8.608594       0.7585094 9.568637       0.8575805 -1.579300      1.899785  
1 1 1 -13 12 55 o 13.74838 2.216241  1.928229       0.5817978 2.432646       0.9642181 1.639440       0.7295749 2.681437       4.432481  
1 1 1 -13 12 56 o 14.66388 2.189306  2.180753       0.6111737 2.897420       0.9989691 1.752028       0.7726507 3.718074       4.378612  
1 1 1 -13 12 57 o 23.13547 3.215136  5.525197       1.487674  5.525197       1.487674  ?              ?         ?              ?         
1 1 1 -13 12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 13 1  o 102.4666 1.613937  104.8603       3.302783  108.7321       4.829654  101.4589       4.526729  3.544655       3.227875  
1 1 1 -13 13 2  o 201.1129 2.114531  402.3829       8.459860  428.5930       12.77766  381.9265       11.28837  11.57381       4.229061  
1 1 1 -13 13 3  o 239.0105 2.500908  572.1210       11.95411  568.8599       16.79395  575.4704       17.01963  -1.377853      5.001816  
1 1 1 -13 13 4  o 215.3747 2.256593  464.4506       9.720181  463.4247       13.71380  465.4863       13.77926  -0.4772949     4.513185  
1 1 1 -13 13 5  o 150.6526 1.601025  226.6446       4.815522  219.7700       6.581405  234.5657       7.064594  -4.903687      3.202050  
1 1 1 -13 13 6  o 57.10234 0.7117687 32.60035       0.8127255 32.05848       1.136209  33.16806       1.162994  -0.9714050     1.423537  
1 1 1 -13 13 7  o 147.7837 1.573328  217.9967       4.640315  210.8031       6.320452  226.4080       6.834436  -5.272461      3.146655  
1 1 1 -13 13 8  o 48.14217 0.6523731 22.96254       0.6247576 21.14315       0.8324636 25.30879       0.9453434 -4.325748      1.304746  
1 1 1 -13 13 9  o 38.00950 0.5919573 14.42936       0.4496904 13.77681       0.6236293 15.13618       0.6490486 -1.788059      1.183915  
1 1 1 -13 13 10 o 149.2656 1.586627  222.9248       4.736206  221.3748       6.648291  224.5221       6.748853  -1.052811      3.173254  
1 1 1 -13 13 11 o 18.37217 0.6595099 3.262489       0.2355456 4.596644       0.3687497 2.342909       0.3061423 6.133187       1.319020  
1 1 1 -13 13 12 o 162.0710 1.715718  262.7901       5.559939  259.4587       7.758341  266.3075       7.971889  -2.109512      3.431435  
1 1 1 -13 13 13 o 178.7477 2.433707  321.3264       8.588794  311.3971       13.13717  328.7386       11.35053  -4.891510      4.867413  
1 1 1 -13 13 14 o 36.82819 0.6033264 13.56864       0.4442466 13.24276       0.6304228 13.89009       0.6261186 -0.8788795     1.206653  
1 1 1 -13 13 15 o 147.0204 1.943575  212.4844       5.237038  206.9024       6.220349  226.0733       9.705368  -6.453461      3.887150  
1 1 1 -13 13 16 o 221.0127 2.826733  493.5234       11.93938  503.3156       14.91746  476.0709       19.91504  6.307098       5.653466  
1 1 1 -13 13 17 o 175.2813 2.631172  307.1593       9.205838  318.8147       13.53603  297.1289       12.55706  6.158569       5.262344  
1 1 1 -13 13 18 o 183.4787 2.748614  336.7685       10.06962  348.4982       14.75718  326.5485       13.77472  5.951904       5.497228  
1 1 1 -13 13 19 o 147.9011 3.172310  0.000000       0.000000  ?              ?         219.1002       9.383763  ?              ?         
1 1 1 -13 13 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 13 21 o 51.71940 1.327445  0.000000       0.000000  ?              ?         26.75739       1.373093  ?              ?         
1 1 1 -13 13 22 o 108.5727 1.674648  116.3390       3.596518  107.4755       4.686491  129.0378       5.609550  -9.908409      3.349295  
1 1 1 -13 13 23 o 45.15021 0.7908886 20.39755       0.6914636 20.41751       0.8748010 20.36432       1.128809  0.6194687E-01  1.581777  
1 1 1 -13 13 24 o 153.2972 1.634876  235.2655       5.012083  236.9175       7.139473  233.6602       7.037930  1.059753       3.269752  
1 1 1 -13 13 25 o 66.84282 0.8146642 44.66109       1.088503  45.65586       1.570939  43.74243       1.509643  1.430428       1.629328  
1 1 1 -13 13 26 o 129.3453 1.396147  167.4828       3.611692  167.6109       5.114054  167.3554       5.101377  0.9843445E-01  2.792294  
1 1 1 -13 13 27 o 107.4621 1.184623  114.7775       2.532378  108.3039       3.376790  123.0976       3.828179  -6.871429      2.369247  
1 1 1 -13 13 28 f 131.2750 1.417111  172.5374       3.720147  170.8662       5.210802  174.2747       5.312848  -1.294754      2.834223  
1 1 1 -13 13 29 o 78.46390 0.9189449 60.77460       1.427737  67.38316       2.216449  56.08772       1.866579  7.189102       1.837890  
1 1 1 -13 13 30 o 125.2447 1.359548  156.9266       3.402165  153.0771       4.687925  161.2100       4.945149  -3.235924      2.719095  
1 1 1 -13 13 31 o 82.81796 0.9578374 68.50241       1.584202  66.09637       2.170093  71.24764       2.318014  -3.105247      1.915675  
1 1 1 -13 13 32 o 59.06374 0.7656087 34.90665       0.9043767 34.72717       1.280570  35.08524       1.277400  -0.3032074     1.531217  
1 1 1 -13 13 33 f 11.72900 1.187418  1.428494       0.2651491 1.154609       0.3903064 1.663214       0.3613234 -2.320088      2.374835  
1 1 1 -13 13 34 o 70.30513 0.8568308 48.77547       1.192761  54.34681       1.852627  44.83119       1.558807  6.755997       1.713662  
1 1 1 -13 13 35 o 36.60936 0.6701735 13.42113       0.4899522 13.19923       0.7093475 13.62357       0.6775402 -0.5805702     1.340347  
1 1 1 -13 13 36 o 39.04377 0.9239892 15.27322       0.7208950 14.97448       1.035075  15.55463       1.004607  -0.7444077     1.847978  
1 1 1 -13 13 37 o 99.12848 1.116488  98.44095       2.213356  97.44079       3.107560  99.47074       3.153259  -1.021118      2.232975  
1 1 1 -13 13 38 o 34.15209 0.6943910 11.54104       0.4697679 9.508039       0.6315243 14.05953       0.7028965 -6.660683      1.388782  
1 1 1 -13 13 39 o 28.98904 0.7165517 8.383209       0.4141845 8.763773       0.6149256 8.067188       0.5603604 1.198828       1.433103  
1 1 1 -13 13 40 o 100.6437 1.136666  101.5225       2.287585  100.0332       3.199656  103.0797       3.271819  -1.507767      2.273332  
1 1 1 -13 13 41 o 43.34582 0.7206147 18.53227       0.6199462 15.99799       0.8234053 21.84903       0.9419827 -6.742702      1.441229  
1 1 1 -13 13 42 o 24.70630 0.7886859 6.146753       0.3875264 5.649958       0.5629087 6.594335       0.5343000 -1.913101      1.577372  
1 1 1 -13 13 43 o 19.59679 0.9248181 3.917636       0.3556449 3.157826       0.5154328 4.608094       0.4913468 -3.702307      1.849636  
1 1 1 -13 13 44 o 79.91959 0.9601845 64.03120       1.534596  63.00042       2.152605  65.09650       2.188328  -1.307808      1.920369  
1 1 1 -13 13 45 o 46.21979 0.7511099 21.25105       0.6911339 22.92269       1.040009  19.92895       0.9249060 3.229218       1.502220  
1 1 1 -13 13 46 o 25.99332 0.8121867 6.691270       0.4197186 7.627800       0.6353142 5.965946       0.5591056 3.189402       1.624373  
1 1 1 -13 13 47 o 48.25807 0.7659217 23.29234       0.7381392 24.13920       1.080071  22.55016       1.011111  1.639629       1.531843  
1 1 1 -13 13 48 o 56.21064 0.8077224 31.67647       0.9079434 31.05565       1.282002  32.30124       1.286059  -1.107517      1.615445  
1 1 1 -13 13 49 o 84.58908 1.017005  71.84973       1.720510  71.16119       2.428335  72.54379       2.438032  -0.8158340     2.034011  
1 1 1 -13 13 50 o 69.21914 0.9007415 48.07160       1.246628  48.21116       1.785217  47.93878       1.741590  0.1909637      1.801483  
1 1 1 -13 13 51 o 38.56810 0.7888544 14.93752       0.6076822 14.23608       0.8666241 15.61604       0.8523386 -1.790852      1.577709  
1 1 1 -13 13 52 o 39.06853 0.7970031 15.11212       0.6180947 16.98781       0.9475884 13.72305       0.8154535 4.159676       1.594006  
1 1 1 -13 13 53 o 29.68447 0.9445896 8.875714       0.5579916 9.122770       0.7585924 8.584463       0.8236555 0.9177361      1.889179  
1 1 1 -13 13 54 o 49.90555 1.045578  25.15796       1.039010  27.39401       1.453579  22.82196       1.485713  4.587257       2.091156  
1 1 1 -13 13 55 o 34.15647 1.248002  11.92243       0.8384407 10.78790       1.269836  12.79935       1.116397  -2.983730      2.496004  
1 1 1 -13 13 56 o 24.58190 1.673429  6.138288       0.8077087 7.802875       1.183419  4.686633       1.105139  6.309994       3.346859  
1 1 1 -13 13 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 14 1  o 106.2301 1.161695  112.0011       2.452433  120.5204       3.729756  105.5125       3.255037  7.058296       2.323390  
1 1 1 -13 14 2  o 226.4441 2.372263  513.5690       10.74351  511.9605       15.13964  515.2006       15.24816  -0.7128754     4.744525  
1 1 1 -13 14 3  o 127.2962 1.369785  159.5978       3.443008  177.6171       5.411849  147.3454       4.462596  11.87752       2.739569  
1 1 1 -13 14 4  o 156.5900 1.661004  244.8580       5.192426  237.1196       7.091007  253.8041       7.624365  -5.318817      3.322009  
1 1 1 -13 14 5  o 144.2946 1.538285  206.4035       4.404772  193.8207       5.811224  223.3943       6.752869  -10.23357      3.076570  
1 1 1 -13 14 6  o 205.0623 2.153327  420.3725       8.819028  409.1399       12.09702  433.1144       12.88414  -5.829178      4.306653  
1 1 1 -13 14 7  o 51.82742 0.6874217 26.24249       0.7019023 23.46467       0.9025352 30.49390       1.116550  -6.779942      1.374843  
1 1 1 -13 14 8  o 182.4182 1.922520  331.9338       6.992977  318.9458       9.461051  347.5738       10.38212  -7.829407      3.845040  
1 1 1 -13 14 9  f 167.3304 1.769300  280.1508       5.919564  283.9330       8.490272  276.5731       8.257631  2.195099       3.538599  
1 1 1 -13 14 10 o 213.8680 2.242797  458.0450       9.593143  459.3224       13.60538  456.7819       13.52845  0.5921783      4.485593  
1 1 1 -13 14 11 o 132.7062 1.428332  175.4685       3.778046  184.8802       5.629460  167.7555       5.096181  6.444275       2.856665  
1 1 1 -13 14 12 o 167.2387 1.772693  277.5170       5.886008  261.1557       7.781693  299.3945       8.998378  -11.40984      3.545386  
1 1 1 -13 14 13 f 64.89186 0.7943347 41.94748       1.028259  44.44427       1.522487  39.85339       1.394307  3.536243       1.588669  
1 1 1 -13 14 14 o 189.7504 1.999459  360.1330       7.581375  352.3249       10.46436  368.7593       10.99897  -4.318878      3.998918  
1 1 1 -13 14 15 o 226.9729 2.378745  515.9445       10.79570  522.2238       15.46799  509.9808       15.07447  2.686600       4.757489  
1 1 1 -13 14 16 o 157.0686 2.036013  247.7185       6.067003  244.8680       10.34658  249.2122       7.489776  -1.448395      4.072026  
1 1 1 -13 14 17 o 97.87005 1.521729  91.15362       2.861486  112.8744       4.947602  80.23619       3.507657  16.64824       3.043458  
1 1 1 -13 14 18 o 40.72823 0.8420171 16.57940       0.6855324 15.87087       0.9560620 17.32918       0.9834985 -1.790005      1.684034  
1 1 1 -13 14 19 o 157.4847 2.358112  248.0983       7.416215  256.1410       10.84908  241.0436       10.16093  4.771667       4.716223  
1 1 1 -13 14 20 o 120.9733 1.602460  145.6084       3.633768  143.9747       4.413180  149.0478       6.403387  -2.051079      3.204919  
1 1 1 -13 14 21 o 96.12151 1.321635  93.91012       2.439776  98.03706       3.087946  87.05379       3.980174  5.731277       2.643270  
1 1 1 -13 14 22 o 46.02072 0.8677736 20.95001       0.7345938 20.59500       0.8767713 21.78622       1.345616  -1.287735      1.735547  
1 1 1 -13 14 23 f 111.3983 1.743083  124.1520       3.880295  121.3110       5.357638  127.2863       5.627429  -2.673790      3.486166  
1 1 1 -13 14 24 o 147.7306 2.246984  218.0703       6.618780  209.4304       8.952359  228.4869       9.829784  -6.411102      4.493967  
1 1 1 -13 14 25 o 89.44366 1.455260  80.10626       2.603256  80.05042       3.673743  80.16257       3.689426  -0.6219482E-01 2.910521  
1 1 1 -13 14 26 o 114.7310 1.789498  131.7944       4.103245  128.9717       5.674400  134.8879       5.940468  -2.567085      3.578997  
1 1 1 -13 14 27 o 50.70358 0.9413068 25.35734       0.9226784 27.13260       1.536404  24.35592       1.153937  2.728729       1.882614  
1 1 1 -13 14 28 o 140.7112 1.843674  200.6571       4.974563  190.9944       8.204800  206.2737       6.255449  -5.534882      3.687348  
1 1 1 -13 14 29 o 196.1143 2.072519  385.7029       8.121308  376.6484       11.19683  395.7545       11.79720  -4.830338      4.145039  
1 1 1 -13 14 30 o 18.64663 0.7885754 3.488572       0.2919755 3.394981       0.4367839 3.564177       0.3925762 -0.4548817     1.577151  
1 1 1 -13 14 31 o 136.8425 1.475412  187.7019       4.037953  187.2617       5.697484  188.1461       5.723662  -0.3216553     2.950825  
1 1 1 -13 14 32 o 17.71087 0.8561713 3.220602       0.2947564 2.430174       0.4270841 3.939549       0.4073152 -4.261877      1.712343  
1 1 1 -13 14 33 o 68.01518 0.8387178 46.27450       1.140379  47.18870       1.643363  45.42540       1.583766  1.293961       1.677436  
1 1 1 -13 14 34 o 83.49010 0.9694874 69.79701       1.618842  69.66271       2.292032  69.93070       2.286753  -0.1607437     1.938975  
1 1 1 -13 14 35 o 25.70821 0.8143626 6.164873       0.4035202 8.530552       0.6916059 4.943915       0.4968566 6.967276       1.628725  
1 1 1 -13 14 36 o 78.16859 0.9263372 61.17429       1.447817  61.61859       2.074954  60.75272       2.021150  0.5511017      1.852674  
1 1 1 -13 14 37 o 35.75179 0.6806240 12.51405       0.4807715 14.66773       0.7549108 11.04451       0.6235843 5.061832       1.361248  
1 1 1 -13 14 38 o 95.28659 1.082937  90.99391       2.063686  90.10853       2.901126  91.90079       2.936173  -0.9378433     2.165874  
1 1 1 -13 14 39 o 50.32422 0.7352263 25.35948       0.7397471 24.66249       1.047908  26.05183       1.044422  -1.380569      1.470453  
1 1 1 -13 14 40 o 37.67197 1.027791  14.23077       0.7735758 13.43191       1.090348  15.04042       1.097692  -2.134304      2.055581  
1 1 1 -13 14 41 o 19.25214 0.8982339 3.706457       0.3417419 3.759635       0.5271578 3.667908       0.4488286 0.2322712      1.796468  
1 1 1 -13 14 42 o 66.47627 0.8501526 44.12528       1.128271  41.71032       1.540764  46.91761       1.656778  -3.907402      1.700305  
1 1 1 -13 14 43 o 41.92293 0.7246476 17.61368       0.6071804 17.00111       0.8630041 18.21413       0.8544258 -1.447376      1.449295  
1 1 1 -13 14 44 f 103.9479 1.179727  108.3368       2.449925  104.9422       3.370058  112.1416       3.567828  -3.437767      2.359454  
1 1 1 -13 14 45 o 25.73492 0.8168006 6.590274       0.4174627 7.021636       0.6363274 6.264328       0.5531379 1.463375       1.633601  
1 1 1 -13 14 46 o 58.48230 0.8136892 33.83943       0.9430382 37.51764       1.458266  31.19551       1.236354  5.382126       1.627378  
1 1 1 -13 14 47 o 49.20390 0.7748138 24.24101       0.7611582 24.67089       1.113737  23.86425       1.042655  0.8122368      1.549628  
1 1 1 -13 14 48 o 6.535023 1.816101  0.2509053      0.3426729 0.2857846      0.5324341 0.2262416      0.4477249 0.6121359      3.632203  
1 1 1 -13 14 49 o 64.97931 0.8724335 42.27298       1.131473  43.59731       1.663873  41.13375       1.543219  1.880211       1.744867  
1 1 1 -13 14 50 o 14.10885 1.362237  2.017496       0.3779172 1.950177       0.5855230 2.065566       0.4947759 -0.4288101     2.724475  
1 1 1 -13 14 51 f 74.21297 0.9469336 55.02596       1.399571  58.42596       2.098543  52.30216       1.878305  4.089134       1.893867  
1 1 1 -13 14 52 f 25.32157 1.252470  6.538206       0.6081702 6.185540       1.000671  6.744772       0.7658427 -1.155844      2.504941  
1 1 1 -13 14 53 o 29.37622 1.279460  8.656557       0.7359548 8.950124       1.174984  8.467032       0.9440890 0.7654362      2.558920  
1 1 1 -13 14 54 o 58.26948 1.220419  34.30545       1.418906  33.11781       2.056128  35.38523       1.960554  -1.969181      2.440838  
1 1 1 -13 14 55 o 22.36847 1.515650  4.940517       0.6659902 5.803841       1.071997  4.397855       0.8499075 3.067497       3.031300  
1 1 1 -13 14 56 o 33.62731 1.954376  11.44654       1.314408  11.44654       1.314408  ?              ?         ?              ?         
1 1 1 -13 14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 15 1  o 49.18357 0.6554334 23.77279       0.6379281 27.13315       0.9943835 21.42249       0.8316134 5.804237       1.310867  
1 1 1 -13 15 2  o 230.7173 2.418013  532.8022       11.14875  544.9511       16.15466  521.7541       15.40544  5.006882       4.836026  
1 1 1 -13 15 3  o 134.0839 1.438405  179.8544       3.856352  177.9381       5.382283  181.8760       5.528048  -1.466110      2.876811  
1 1 1 -13 15 4  o 99.80671 1.101028  99.21410       2.190267  94.69436       2.953711  104.7353       3.264575  -5.026398      2.202056  
1 1 1 -13 15 5  o 46.11909 0.6489590 21.24743       0.5979408 20.76667       0.8231823 21.78443       0.8699896 -1.103062      1.297918  
1 1 1 -13 15 6  o 37.72338 0.5981259 13.94997       0.4465927 16.38149       0.6942866 12.23386       0.5832744 5.496696       1.196252  
1 1 1 -13 15 7  o 172.0058 1.818567  296.1324       6.255554  298.6168       8.917037  293.7248       8.777979  1.419250       3.637134  
1 1 1 -13 15 8  o 70.97012 0.8385013 50.13724       1.186227  47.57350       1.600247  53.26430       1.767327  -4.007729      1.677003  
1 1 1 -13 15 9  o 189.2649 1.993368  357.9803       7.533376  347.3557       10.30983  370.1512       11.03467  -6.005905      3.986735  
1 1 1 -13 15 10 o 170.3663 1.802490  290.5397       6.141514  289.3941       8.648435  291.7051       8.722870  -0.6767273     3.604980  
1 1 1 -13 15 11 o 85.34917 0.9704670 72.73679       1.654199  70.57783       2.267538  75.19286       2.418539  -2.701942      1.940934  
1 1 1 -13 15 12 o 39.95637 1.023171  14.91081       0.7040434 18.08480       1.483516  13.98815       0.7998552 5.118340       2.046342  
1 1 1 -13 15 13 o 152.6490 2.286160  231.2810       6.926252  217.1952       9.142831  250.2526       10.61065  -10.78767      4.572320  
1 1 1 -13 15 14 f 102.5302 1.579030  105.1777       3.236882  106.6350       4.649755  103.8074       4.508784  1.376160       3.158060  
1 1 1 -13 15 15 o 62.00764 1.055441  36.30810       1.257479  46.40783       2.179418  31.26796       1.539597  12.19925       2.110882  
1 1 1 -13 15 16 o 208.4276 2.660574  439.4211       10.63784  449.5702       13.36562  421.8805       17.57116  6.794876       5.321149  
1 1 1 -13 15 17 o 77.23067 0.9020814 59.62419       1.392730  61.00714       2.007029  58.33976       1.934225  1.725929       1.804163  
1 1 1 -13 15 18 f 70.24634 0.8417415 49.36076       1.182582  49.40485       1.674690  49.31690       1.670166  0.6253815E-01  1.683483  
1 1 1 -13 15 19 f 63.18450 0.7849957 39.91801       0.9917411 39.24566       1.383650  40.62835       1.422213  -1.093685      1.569991  
1 1 1 -13 15 20 o 88.00108 0.9996272 77.37797       1.757626  79.64551       2.555270  75.34172       2.421444  2.443054       1.999254  
1 1 1 -13 15 21 o 115.0447 1.255433  132.2915       2.885668  136.0383       4.196671  128.9314       3.974305  3.083611       2.510865  
1 1 1 -13 15 22 o 110.7828 1.215686  122.8182       2.693266  123.8526       3.842026  121.8188       3.776526  0.9162903      2.431371  
1 1 1 -13 15 23 o 116.2533 1.269246  135.2510       2.950519  133.6064       4.124162  136.9753       4.222918  -1.446121      2.538492  
1 1 1 -13 15 24 o 54.57201 0.7248917 29.56278       0.7873026 32.08015       1.187391  27.58774       1.051738  4.113697       1.449783  
1 1 1 -13 15 25 o 112.2238 1.233356  126.0837       2.768224  126.3421       3.922505  125.8273       3.907260  0.2288666      2.466712  
1 1 1 -13 15 26 o 175.0816 1.857660  307.4212       6.504838  307.2652       9.193885  307.5775       9.204585  -0.8862305E-01 3.715319  
1 1 1 -13 15 27 o 68.11064 0.8313199 46.10484       1.127549  43.18131       1.511227  49.77605       1.693483  -4.836266      1.662640  
1 1 1 -13 15 28 o 110.2443 1.492843  122.1323       3.108804  122.8239       3.820250  120.7764       5.349055  1.005028       2.985686  
1 1 1 -13 15 29 f 116.3180 1.577427  134.3652       3.403568  132.2662       4.091645  139.0799       6.132279  -2.811943      3.154854  
1 1 1 -13 15 30 o 137.0553 2.105216  188.8178       5.769968  187.2494       8.087564  190.4436       8.234349  -1.152145      4.210432  
1 1 1 -13 15 31 o 86.20575 1.424270  74.22221       2.449176  78.32906       3.627052  70.78017       3.320527  4.358711       2.848541  
1 1 1 -13 15 32 o 45.57024 1.014820  20.70304       0.9228610 19.25447       1.257323  22.39494       1.358824  -3.440872      2.029640  
1 1 1 -13 15 33 o 86.73205 2.085250  75.35031       3.604698  71.78976       4.860088  79.70404       5.374223  -4.507996      4.170499  
1 1 1 -13 15 34 o 48.48596 1.040730  23.37238       1.004916  25.47969       1.508694  21.69183       1.347293  3.897106       2.081460  
1 1 1 -13 15 35 o 102.5851 1.642091  105.6811       3.368918  104.8998       4.735952  106.4814       4.793304  -0.7655487     3.284181  
1 1 1 -13 15 36 f 87.81075 1.328419  76.15533       2.241129  81.57851       3.788084  73.23487       2.779824  4.667229       2.656839  
1 1 1 -13 15 37 o 94.19533 1.322552  88.97143       2.335577  89.21915       4.092624  88.85179       2.844196  0.8104706E-01  2.645105  
1 1 1 -13 15 38 f 58.00781 0.8566237 32.92065       0.9578638 36.55641       1.617757  30.95799       1.188609  4.799541       1.713247  
1 1 1 -13 15 39 o 7.018556 1.670748  0.4633369      0.2868376 0.2119853      0.4628334 0.6200773      0.3654889 -1.495045      3.341497  
1 1 1 -13 15 40 o 87.76204 1.023577  77.02876       1.793901  73.90037       2.455607  80.60901       2.626973  -3.806969      2.047154  
1 1 1 -13 15 41 o 72.56009 0.8979431 52.63752       1.301400  50.25460       1.785887  55.33570       1.900357  -3.491470      1.795886  
1 1 1 -13 15 42 o 32.22690 0.7396963 10.44473       0.4741082 9.205412       0.6720696 11.67246       0.6689221 -3.827864      1.479393  
1 1 1 -13 15 43 o 17.66496 1.074816  3.313123       0.3549231 2.048855       0.5168759 4.441107       0.4882229 -6.774321      2.149632  
1 1 1 -13 15 44 f 80.28392 0.9698392 64.65359       1.557180  63.80327       2.193374  65.51771       2.211102  -1.065704      1.939678  
1 1 1 -13 15 45 o 36.74269 0.7582175 13.58381       0.5546959 12.74771       0.8071806 14.33197       0.7635531 -2.160103      1.516435  
1 1 1 -13 15 46 f 29.15439 0.8063843 8.469377       0.4672494 8.963313       0.7088511 8.089866       0.6213431 1.488415       1.612769  
1 1 1 -13 15 47 o 66.50284 0.8751205 43.87963       1.154899  48.14518       1.772559  40.73316       1.522386  5.541813       1.750241  
1 1 1 -13 15 48 o 58.22585 0.8283659 33.90614       0.9621579 35.23260       1.422497  32.78751       1.306309  2.085541       1.656732  
1 1 1 -13 15 49 o 13.12839 1.585437  1.594137       0.3865339 2.365895       0.7013966 1.257521       0.4632228 4.323807       3.170874  
1 1 1 -13 15 50 o 36.34552 1.115325  12.79497       0.7929726 15.78603       1.297700  11.01260       1.001754  6.508614       2.230650  
1 1 1 -13 15 51 o 17.84942 1.607400  3.174767       0.5655571 3.531190       0.8947106 2.937582       0.7298666 1.615734       3.214800  
1 1 1 -13 15 52 o 21.61416 1.126538  4.704189       0.4869348 4.764420       0.6871525 4.643437       0.6901166 0.2805080      2.253077  
1 1 1 -13 15 53 o 14.83009 1.772920  2.268988       0.5149931 2.162332       0.7192968 2.381163       0.7376713 -0.9507265     3.545840  
1 1 1 -13 15 54 o 31.26811 1.263991  10.03292       0.7720954 9.031820       1.192716  10.75504       1.012983  -2.805676      2.527982  
1 1 1 -13 15 55 o 8.395420 2.374163  0.3981909      0.5935566 0.3316204      0.9550639 0.4400842      0.7576412 0.4234180      4.748327  
1 1 1 -13 15 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 16 1  o 94.50450 1.053606  87.74342       1.964450  98.95560       3.101782  80.23413       2.538435  9.896912       2.107212  
1 1 1 -13 16 2  o 69.15826 0.8199365 47.80186       1.133522  49.02338       1.635505  46.67274       1.572439  1.698769       1.639873  
1 1 1 -13 16 3  o 154.8458 1.644913  238.9409       5.075228  251.9578       7.579365  228.3604       6.833376  7.603485       3.289826  
1 1 1 -13 16 4  o 101.6403 1.122292  103.1202       2.277199  99.71541       3.109037  107.0608       3.344758  -3.609978      2.244584  
1 1 1 -13 16 5  o 122.2681 1.322568  149.4437       3.231733  153.2169       4.681202  146.0078       4.467038  2.944405       2.645136  
1 1 1 -13 16 6  o 62.59587 0.7680355 39.13792       0.9606729 37.98013       1.325100  40.42065       1.394769  -1.948734      1.536071  
1 1 1 -13 16 7  o 71.24442 0.8458794 50.29885       1.196934  47.01083       1.583928  54.67600       1.827528  -5.376808      1.691759  
1 1 1 -13 16 8  f 217.7579 2.285949  474.6839       9.948096  485.4616       14.40902  464.8673       13.75147  4.708878       4.571899  
1 1 1 -13 16 9  o 217.4259 2.782514  476.3008       11.51204  467.0031       19.46509  481.3024       14.27649  -3.479309      5.565027  
1 1 1 -13 16 10 f 104.7392 1.605037  109.7881       3.361506  110.9660       4.812569  108.6659       4.697301  1.095451       3.210074  
1 1 1 -13 16 11 o 111.2356 3.425748  124.0249       7.621303  124.0249       7.621303  ?              ?         ?              ?         
1 1 1 -13 16 12 o 25.12591 0.7844330 6.299654       0.3904544 5.180271       0.5363861 7.561378       0.5694696 -4.737968      1.568866  
1 1 1 -13 16 13 o 47.55312 0.7849154 22.75412       0.7250329 23.20608       0.9263269 22.03939       1.164892  1.229542       1.569831  
1 1 1 -13 16 14 o 262.1982 2.744725  688.2143       14.36548  666.1755       19.60104  713.7893       21.11505  -9.014587      5.489450  
1 1 1 -13 16 15 o 192.8465 2.032568  372.2627       7.833563  380.7295       11.34524  364.5483       10.82942  4.178543       4.065137  
1 1 1 -13 16 16 o 121.8574 1.321617  148.5462       3.219830  150.9989       4.628565  146.2464       4.482023  1.946861       2.643233  
1 1 1 -13 16 17 o 285.3971 2.984884  818.0173       17.03680  822.1262       24.22936  813.9992       23.96023  1.409943       5.969769  
1 1 1 -13 16 18 o 105.7232 1.165881  111.7681       2.463735  114.2234       3.559414  109.5097       3.413651  2.226105       2.331762  
1 1 1 -13 16 19 o 105.4599 1.162931  111.3044       2.452846  111.1131       3.464678  111.4967       3.473032  -0.1816483     2.325862  
1 1 1 -13 16 20 o 96.92325 1.086778  93.98234       2.106081  92.91522       2.937269  95.11144       3.021410  -1.130959      2.173557  
1 1 1 -13 16 21 o 131.1575 1.414964  172.2489       3.711657  172.4783       5.254911  172.0204       5.243260  0.1741486      2.829928  
1 1 1 -13 16 22 o 54.06220 0.7232038 29.17445       0.7806668 30.29816       1.144510  28.19676       1.067562  1.942108       1.446408  
1 1 1 -13 16 23 o 100.4068 1.117952  100.8521       2.243883  102.7626       3.235160  99.08089       3.114915  1.829712       2.235903  
1 1 1 -13 16 24 o 80.24211 0.9342381 63.89897       1.490392  59.79970       1.980922  69.24644       2.262497  -5.878380      1.868476  
1 1 1 -13 16 25 o 113.0447 1.241939  127.9326       2.807173  129.7201       4.025283  126.2402       3.916824  1.534775       2.483879  
1 1 1 -13 16 26 o 123.7463 1.345276  152.8670       3.320216  146.7029       4.498344  160.2441       4.921067  -5.451973      2.690552  
1 1 1 -13 16 27 o 67.96115 0.8310830 46.22044       1.129625  46.13782       1.597841  46.30301       1.597221  -0.1215439     1.662166  
1 1 1 -13 16 28 o 147.5515 1.582331  218.3505       4.669318  217.0708       6.567887  219.6582       6.639521  -0.8720093     3.164662  
1 1 1 -13 16 29 o 62.15442 0.7876917 38.66215       0.9791695 38.62450       1.385179  38.69976       1.384331  -0.6057358E-01 1.575383  
1 1 1 -13 16 30 f 128.6842 1.396904  165.8986       3.592979  169.3727       5.191653  162.7051       4.977583  2.576775       2.793808  
1 1 1 -13 16 31 o 39.94293 0.6669441 15.84838       0.5303442 17.16193       0.7981836 14.81009       0.7096401 2.941063       1.333888  
1 1 1 -13 16 32 o 87.00664 1.402417  75.89686       2.439297  76.80129       3.510855  75.05281       3.391609  0.9959488      2.804834  
1 1 1 -13 16 33 f 102.5822 1.148333  105.3867       2.355038  103.4106       3.274902  107.5030       3.389086  -1.987480      2.296666  
1 1 1 -13 16 34 o 22.34673 0.7599309 4.955354       0.3363090 5.295909       0.5196250 4.709870       0.4411722 1.307718       1.519862  
1 1 1 -13 16 35 f 50.69731 0.7275162 25.42583       0.7320102 28.15007       1.123290  23.41499       0.9650686 4.662228       1.455032  
1 1 1 -13 16 36 o 22.49562 0.7727610 5.003463       0.3448101 5.553395       0.5308158 4.602019       0.4535252 2.110388       1.545522  
1 1 1 -13 16 37 o 63.03653 0.8171372 39.47226       1.024165  42.66613       1.553589  37.01748       1.362021  4.468880       1.634274  
1 1 1 -13 16 38 o 47.58786 0.7884678 22.58972       0.7439578 22.02970       0.9838514 23.33752       1.136895  -1.364182      1.576936  
1 1 1 -13 16 39 o 18.40554 1.145860  3.403584       0.4111319 3.420588       0.5263872 3.376986       0.6583639 0.1317234      2.291720  
1 1 1 -13 16 40 o 39.36604 0.9051929 15.01219       0.6661440 14.14628       0.7991212 16.98425       1.205963  -3.568371      1.810386  
1 1 1 -13 16 41 o 15.18751 1.490216  2.328847       0.4488261 2.380152       0.6009148 2.264112       0.6749964 0.3935633      2.980432  
1 1 1 -13 16 42 o 29.50381 1.106857  8.736459       0.6524286 8.774949       0.9457722 8.701510       0.9011885 0.1189842      2.213714  
1 1 1 -13 16 43 o 20.87811 1.347449  4.366025       0.5613130 4.689718       0.8289940 4.091984       0.7627677 1.420805       2.694898  
1 1 1 -13 16 44 o 38.97656 1.098756  15.23038       0.8550359 14.01993       1.183955  16.54989       1.236139  -3.238083      2.197513  
1 1 1 -13 16 45 o 36.26205 1.099687  13.21326       0.7965174 12.35885       1.119223  14.09008       1.133810  -2.384945      2.199374  
1 1 1 -13 16 46 o 18.54484 1.562178  3.463849       0.5781697 3.604561       0.8516868 3.343576       0.7874025 0.6893978      3.124356  
1 1 1 -13 16 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 16 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 16 49 o 28.82182 1.451960  8.673246       0.8087095 10.12973       1.080271  6.816313       1.219769  5.782681       2.903920  
1 1 1 -13 16 50 o 12.42734 2.183978  1.613712       0.5427322 2.016991       0.8132736 1.289909       0.7287433 2.710217       4.367955  
1 1 1 -13 16 51 o 65.20923 1.654066  43.64856       1.999815  44.53408       2.426993  41.77583       3.529462  2.453835       3.308133  
1 1 1 -13 16 52 o 28.11313 2.654050  8.061122       1.492273  8.061122       1.492273  ?              ?         ?              ?         
1 1 1 -13 16 53 o 14.41778 4.106132  2.250938       1.241350  2.250938       1.241350  ?              ?         ?              ?         
1 1 1 -13 16 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 16 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 17 1  o 89.09587 1.003136  79.21692       1.783982  76.40415       2.432519  82.49054       2.624237  -3.412453      2.006272  
1 1 1 -13 17 2  o 141.4577 1.512527  199.2413       4.260226  211.2839       6.396147  189.6386       5.711547  7.633850       3.025054  
1 1 1 -13 17 3  o 39.08508 0.6101457 15.27401       0.4768699 15.56483       0.6820667 14.99592       0.6669782 0.7276382      1.220291  
1 1 1 -13 17 4  o 110.6865 1.210930  121.9216       2.668994  129.5704       4.006089  115.8169       3.578976  6.204460       2.421861  
1 1 1 -13 17 5  o 129.4068 1.703236  166.4537       4.124083  171.1499       7.300351  164.2525       4.997987  2.602676       3.406472  
1 1 1 -13 17 6  o 76.61962 1.218989  58.74435       1.867885  58.85485       2.655420  58.63612       2.627970  0.1421967      2.437979  
1 1 1 -13 17 7  o 221.2117 3.280010  491.3424       14.50112  502.0616       20.98826  481.5517       20.05868  4.586548       6.560020  
1 1 1 -13 17 8  o 112.3876 1.711555  125.7727       3.830014  119.4613       5.133132  133.6992       5.752552  -6.317070      3.423110  
1 1 1 -13 17 9  o 246.0508 3.155236  608.6135       14.67006  609.4681       18.01669  606.9319       25.27068  0.8848267      6.310472  
1 1 1 -13 17 10 o 72.88647 1.015564  53.15116       1.480379  53.33653       2.088399  52.96395       2.098784  0.2557678      2.031127  
1 1 1 -13 17 11 o 154.8483 1.650483  237.9406       5.073202  257.0954       7.764773  223.6734       6.701309  10.76210       3.300966  
1 1 1 -13 17 12 o 116.2297 1.266028  135.1738       2.942533  133.7823       4.117389  136.6264       4.206791  -1.221489      2.532056  
1 1 1 -13 17 13 o 73.30707 0.8692109 53.75538       1.274309  53.33231       1.790163  54.18996       1.814370  -0.5845871     1.738422  
1 1 1 -13 17 14 f 197.7317 2.083509  391.1224       8.225511  404.7859       12.06097  379.2411       11.24690  6.426544       4.167019  
1 1 1 -13 17 15 o 130.9966 1.412843  171.6467       3.698925  167.9442       5.116282  175.7011       5.353951  -2.953781      2.825686  
1 1 1 -13 17 16 o 32.99302 0.6379979 10.56219       0.4139307 8.400087       0.5380150 13.69838       0.6479740 -8.027901      1.275996  
1 1 1 -13 17 17 o 200.1028 2.109001  401.3959       8.437554  407.4050       12.12062  395.7459       11.75289  2.895691       4.218001  
1 1 1 -13 17 18 o 70.42720 0.8462247 49.59189       1.191415  50.65168       1.716351  48.60633       1.655146  1.450874       1.692449  
1 1 1 -13 17 19 o 165.3189 1.756716  273.8194       5.806808  277.4833       8.328453  270.3533       8.100425  2.146317       3.513431  
1 1 1 -13 17 20 o 54.17848 0.7242421 29.11796       0.7808668 31.86487       1.178371  26.96732       1.042664  4.517128       1.448484  
1 1 1 -13 17 21 o 91.35800 1.035457  83.38442       1.889207  80.84268       2.589107  86.27870       2.762830  -2.969742      2.070914  
1 1 1 -13 17 22 o 44.11573 0.6670838 19.19485       0.5843545 17.03671       0.7734324 22.06538       0.8919955 -5.696861      1.334168  
1 1 1 -13 17 23 o 34.75612 0.6367158 12.07266       0.4422137 11.38612       0.6157935 12.80371       0.6354381 -2.038921      1.273432  
1 1 1 -13 17 24 o 144.9138 1.554743  210.3639       4.503625  206.6328       6.246980  214.4017       6.498648  -2.666931      3.109486  
1 1 1 -13 17 25 o 86.23366 0.9885384 74.41384       1.704484  73.27170       2.378459  75.61970       2.443880  -1.358940      1.977077  
1 1 1 -13 17 26 o 89.27139 1.017041  79.72317       1.814721  77.89377       2.512995  81.71680       2.623366  -2.136421      2.034082  
1 1 1 -13 17 27 o 63.50756 0.8002987 40.18538       1.013219  42.52795       1.508218  38.25852       1.367860  3.356300       1.600597  
1 1 1 -13 17 28 o 87.29355 1.002875  76.29778       1.750826  75.72909       2.463189  76.87849       2.489099  -0.6571426     2.005750  
1 1 1 -13 17 29 o 135.7400 1.468509  184.7910       3.986423  183.3863       5.597340  186.2370       5.678850  -1.044159      2.937017  
1 1 1 -13 17 30 o 81.61702 1.329659  66.78874       2.170287  66.77065       3.088392  66.80640       3.050458  -0.2455902E-01 2.659319  
1 1 1 -13 17 31 f 40.38821 0.6819379 16.10169       0.5469867 13.99378       0.7280756 18.83307       0.8287845 -5.987221      1.363876  
1 1 1 -13 17 32 f 84.20124 0.9795575 70.96278       1.648687  72.33820       2.379457  69.69273       2.286510  1.565689       1.959115  
1 1 1 -13 17 33 o 91.89404 1.051663  84.61394       1.932762  84.72660       2.745787  84.50329       2.721059  0.1198273      2.103326  
1 1 1 -13 17 34 o 40.75352 0.6934507 16.57842       0.5641177 17.33882       0.8297756 15.92495       0.7692267 1.731716       1.386901  
1 1 1 -13 17 35 f 59.60090 0.7855893 35.56768       0.9363722 35.05554       1.323275  36.08128       1.325188  -0.8604050     1.571179  
1 1 1 -13 17 36 o 57.05021 0.7740667 32.55037       0.8821158 33.36246       1.285815  31.82835       1.212418  1.340034       1.548133  
1 1 1 -13 17 37 o 22.17067 0.8154261 4.968856       0.3580533 4.477993       0.5270998 5.389419       0.4878969 -2.058167      1.630852  
1 1 1 -13 17 38 o 33.32217 1.063922  11.13467       0.7087438 11.19782       1.018500  11.07538       0.9868778 0.1806183      2.127843  
1 1 1 -13 17 39 f 37.72965 0.7117228 14.25775       0.5352870 14.23669       0.7894391 14.27568       0.7282748 -0.5612946E-01 1.423446  
1 1 1 -13 17 40 o 46.28584 0.7437745 21.30811       0.6850049 22.91373       1.034104  20.05271       0.9143907 3.081161       1.487549  
1 1 1 -13 17 41 o 23.93824 0.8442289 5.867941       0.3945879 4.546276       0.5705423 7.079718       0.5463094 -5.293896      1.688458  
1 1 1 -13 17 42 o 35.92584 0.7411785 12.79663       0.5281011 13.94206       0.8124223 11.95848       0.6949556 2.750019       1.482357  
1 1 1 -13 17 43 o 56.62843 0.8049625 32.16329       0.9111348 31.39811       1.300583  32.90078       1.276824  -1.329296      1.609925  
1 1 1 -13 17 44 o 43.32254 1.043751  18.85615       0.9002532 18.75142       1.336369  18.94318       1.218130  -0.2381058     2.087502  
1 1 1 -13 17 45 o 60.19324 1.164157  36.38866       1.399870  34.00557       1.946493  38.94168       2.014700  -4.088810      2.328313  
1 1 1 -13 17 46 o 35.42117 0.8996661 12.51667       0.6227254 12.25872       0.7958568 12.92395       1.000038  -0.9119797     1.799332  
1 1 1 -13 17 47 o 33.42957 0.7969166 11.22217       0.5309006 11.03531       0.7810987 11.38261       0.7237862 -0.5269279     1.593833  
1 1 1 -13 17 48 o 20.82888 1.047467  4.530101       0.4196895 3.453274       0.6329402 5.375061       0.5606706 -4.626158      2.094935  
1 1 1 -13 17 49 o 85.00317 1.035106  72.60708       1.759285  70.80631       2.455233  74.50730       2.522125  -2.164658      2.070213  
1 1 1 -13 17 50 o 13.02682 1.710989  1.882817       0.4312685 3.078452       0.6107671 0.6939033      0.6090479 8.893280       3.421978  
1 1 1 -13 17 51 o 52.43977 0.9913992 27.74652       1.010313  28.05987       1.289078  27.24754       1.626709  0.8410568      1.982798  
1 1 1 -13 17 52 o 33.50574 1.076897  11.32199       0.7205345 11.99901       1.016510  10.63831       1.021488  2.031738       2.153793  
1 1 1 -13 17 53 o 24.90059 1.433605  6.255062       0.6973274 6.400022       1.118047  6.162771       0.8921078 0.4045486      2.867209  
1 1 1 -13 17 54 o 36.30035 1.652361  13.68589       1.013687  12.91321       2.062165  13.93209       1.164033  -1.742054      3.304722  
1 1 1 -13 17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 17 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 18 1  o 88.81943 1.002742  77.68569       1.759634  86.82303       2.760228  71.42990       2.283893  8.654800       2.005485  
1 1 1 -13 18 2  o 49.14185 0.7814249 24.16670       0.7419409 24.12579       1.217829  24.19086       0.9356226 -0.7097626E-01 1.562850  
1 1 1 -13 18 3  o 67.70093 1.098957  45.00019       1.468218  40.87922       1.897785  51.14397       2.317207  -7.571018      2.197915  
1 1 1 -13 18 4  o 49.65692 0.8757172 24.67047       0.8696610 24.55963       1.234656  24.77962       1.225171  -0.2216873     1.751434  
1 1 1 -13 18 5  o 154.1475 2.306167  237.9452       7.099172  231.0216       9.726152  245.8398       10.38577  -4.774246      4.612335  
1 1 1 -13 18 6  o 41.91975 0.7198080 17.78673       0.5958425 20.44252       0.8276759 14.92967       0.8584641 6.575951       1.439616  
1 1 1 -13 18 7  o 210.9551 2.219584  445.8193       9.355172  435.3892       12.88831  457.4344       13.60085  -5.191345      4.439167  
1 1 1 -13 18 8  o 153.3120 1.634429  234.8869       5.001861  227.2561       6.824179  243.7457       7.352757  -5.359207      3.268857  
1 1 1 -13 18 9  o 71.82590 0.8528292 51.59809       1.224875  50.88577       1.712107  52.34492       1.753089  -1.014992      1.705658  
1 1 1 -13 18 10 o 154.1113 1.643018  237.6151       5.058797  231.9749       6.965472  243.9111       7.359192  -3.858215      3.286036  
1 1 1 -13 18 11 o 68.60040 0.8259034 47.07896       1.133119  46.83855       1.595740  47.32346       1.609291  -0.3531876     1.651807  
1 1 1 -13 18 12 o 130.1950 1.404223  169.7258       3.656456  169.7502       5.170881  169.7014       5.171139  0.1878357E-01  2.808446  
1 1 1 -13 18 13 o 51.46803 0.6971573 26.49712       0.7176050 26.21425       1.011537  26.78372       1.018189  -0.5531197     1.394315  
1 1 1 -13 18 14 o 60.89479 0.7767046 37.03327       0.9450476 38.60019       1.373463  35.62436       1.302367  2.442059       1.553409  
1 1 1 -13 18 15 o 139.4803 1.498083  194.8141       4.178176  197.3296       5.983601  192.4204       5.836799  1.754135       2.996166  
1 1 1 -13 18 16 o 106.1447 1.171427  112.7047       2.485393  115.1119       3.588830  110.4862       3.445314  2.174339       2.342853  
1 1 1 -13 18 17 o 118.7742 1.294745  140.6958       3.065750  134.5638       4.140452  148.1377       4.561285  -5.698196      2.589489  
1 1 1 -13 18 18 f 74.08119 0.8778530 54.86244       1.299686  56.28905       1.882429  53.56291       1.796637  1.837624       1.755706  
1 1 1 -13 18 19 o 46.03600 0.6743882 20.77379       0.6144001 18.17727       0.8021331 24.45955       0.9556835 -6.819836      1.348776  
1 1 1 -13 18 20 o 48.00221 0.6832001 23.05132       0.6558654 23.14598       0.9332605 22.95893       0.9219111 0.1945724      1.366400  
1 1 1 -13 18 21 o 92.69037 1.046325  86.00234       1.939608  85.47109       2.728199  86.54529       2.758085  -0.5783768     2.092651  
1 1 1 -13 18 22 o 57.13517 0.7432686 32.61635       0.8485146 33.69862       1.233512  31.64424       1.169043  1.796028       1.486537  
1 1 1 -13 18 23 o 67.68243 0.8261509 45.81860       1.117806  46.70450       1.610520  44.99517       1.552698  1.260765       1.652302  
1 1 1 -13 18 24 o 37.22184 0.6459809 13.79110       0.4794557 12.45240       0.6539683 15.34693       0.7050107 -3.886753      1.291962  
1 1 1 -13 18 25 o 35.00321 0.6477046 12.08840       0.4500004 10.35925       0.5996064 14.31827       0.6809127 -5.652828      1.295409  
1 1 1 -13 18 26 o 62.17509 0.7916781 38.57541       0.9824963 40.45641       1.446145  36.96291       1.338957  2.805370       1.583356  
1 1 1 -13 18 27 o 68.05722 0.8386970 46.36107       1.141551  45.91280       1.607094  46.81757       1.621799  -0.6641006     1.677394  
1 1 1 -13 18 28 o 117.6614 1.814537  138.8028       4.262664  133.9501       5.824993  144.3975       6.254535  -4.398354      3.629074  
1 1 1 -13 18 29 f 45.97836 0.6929822 21.13764       0.6366087 21.54156       0.9245667 20.77351       0.8778501 0.8334618      1.385964  
1 1 1 -13 18 30 o 57.35080 0.7715997 32.54917       0.8792542 29.74171       1.164919  36.26596       1.340365  -5.680229      1.543199  
1 1 1 -13 18 31 o 85.06808 0.9897809 72.28414       1.680717  69.29841       2.291601  75.75980       2.472477  -3.786415      1.979562  
1 1 1 -13 18 32 o 23.69652 0.7346013 5.511290       0.3443103 6.393427       0.5378488 4.898767       0.4481806 3.149143       1.469203  
1 1 1 -13 18 33 f 30.46954 0.7092289 9.200033       0.4260525 7.220126       0.5741009 11.62720       0.6356472 -7.228912      1.418458  
1 1 1 -13 18 34 o 79.78316 0.9485492 63.68992       1.512324  61.67670       2.087625  65.91317       2.193823  -2.647293      1.897098  
1 1 1 -13 18 35 o 42.54947 0.7067321 18.07676       0.6000388 16.43353       0.8272692 19.90095       0.8716339 -4.071968      1.413464  
1 1 1 -13 18 36 f 29.01405 0.7277179 8.388295       0.4203347 8.838897       0.6313536 8.029558       0.5633310 1.390337       1.455436  
1 1 1 -13 18 37 o 20.60303 1.107555  4.341121       0.4472957 3.495810       0.6508948 5.097523       0.6157135 -3.890846      2.215111  
1 1 1 -13 18 38 o 62.56287 0.8253947 39.03044       1.028934  41.33836       1.537317  37.15758       1.384861  3.328094       1.650789  
1 1 1 -13 18 39 f 38.26941 0.7221153 14.69324       0.5511314 14.30993       0.8042812 15.03256       0.7567258 -0.9478798     1.444231  
1 1 1 -13 18 40 o 21.60928 0.8922647 4.784476       0.3770619 3.996882       0.5640862 5.420644       0.5069676 -3.300201      1.784529  
1 1 1 -13 18 41 o 34.12571 0.9164438 11.51859       0.5718834 12.07980       1.060239  11.28831       0.6791518 1.116413       1.832888  
1 1 1 -13 18 42 o 70.35155 1.241387  49.62558       1.740716  51.60215       2.589639  47.99637       2.351100  2.522980       2.482773  
1 1 1 -13 18 43 o 25.76037 0.9774626 6.714159       0.4984189 7.124324       0.6718894 6.212255       0.7432404 1.779823       1.954925  
1 1 1 -13 18 44 o 45.20292 0.7662591 20.48250       0.6919889 19.23123       0.9711573 21.77299       0.9862577 -2.809826      1.532518  
1 1 1 -13 18 45 o 42.43179 0.7647251 17.92152       0.6449878 19.16112       0.9790726 16.97107       0.8573081 2.566650       1.529450  
1 1 1 -13 18 46 o 16.61522 1.175936  2.722709       0.3818257 3.036313       0.6219471 2.533018       0.4837104 1.487174       2.351873  
1 1 1 -13 18 47 o 38.76351 0.7823798 15.08541       0.6042426 14.91198       0.8916297 15.23271       0.8217030 -0.4233208     1.564760  
1 1 1 -13 18 48 o 40.45586 0.7937104 16.46402       0.6403964 15.54636       0.9231480 17.31529       0.8891245 -2.191078      1.587421  
1 1 1 -13 18 49 o 15.73106 1.277967  2.418396       0.3939682 3.233815       0.6161534 1.854480       0.5123958 4.358624       2.555934  
1 1 1 -13 18 50 o 59.47374 0.9351946 35.52290       1.104575  35.34024       1.475475  35.75579       1.666036  -0.3134842     1.870389  
1 1 1 -13 18 51 o 7.267395 1.965898  0.1775094      0.4431612 0.7942650      0.6456792 -0.3717897     0.6093469 3.524322       3.931796  
1 1 1 -13 18 52 o 44.78817 1.054878  20.16157       0.9398709 19.83134       1.260884  20.57447       1.409926  -0.7944489     2.109755  
1 1 1 -13 18 53 o 35.81755 1.222170  12.96061       0.8638052 12.95409       1.334391  12.96532       1.133304  -0.7476807E-01 2.444340  
1 1 1 -13 18 54 o 34.65355 1.889490  12.24172       1.257770  12.55004       2.102448  12.06987       1.569629  0.4461174      3.778979  
1 1 1 -13 18 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 19 1  o 65.13453 1.502646  0.000000       0.000000  ?              ?         42.46402       1.957482  ?              ?         
1 1 1 -13 19 2  o 140.1874 1.814311  198.9494       4.899778  204.4906       6.198630  189.7207       7.999484  5.358505       3.628623  
1 1 1 -13 19 3  o 68.32111 0.8248951 46.65224       1.126103  45.60867       1.552982  47.80939       1.635306  -1.608704      1.649790  
1 1 1 -13 19 4  o 127.8625 1.381931  162.4655       3.511540  153.2386       4.661753  174.5681       5.338991  -8.315262      2.763862  
1 1 1 -13 19 5  o 112.1996 1.228784  126.0059       2.756884  124.6638       3.855120  127.4106       3.944048  -1.221123      2.457567  
1 1 1 -13 19 6  f 97.82730 1.091180  95.25379       2.125587  90.42835       2.849760  101.3048       3.191204  -5.548904      2.182361  
1 1 1 -13 19 7  o 73.23615 1.277395  53.27916       1.860182  50.00708       2.474534  57.53080       2.820720  -5.124542      2.554790  
1 1 1 -13 19 8  o 86.90118 0.9895974 75.41246       1.717150  78.32996       2.516721  72.87132       2.348799  3.136124       1.979195  
1 1 1 -13 19 9  o 108.9554 1.198423  118.5450       2.606134  114.3995       3.551401  123.3824       3.836327  -4.112648      2.396846  
1 1 1 -13 19 10 o 94.10857 1.060460  88.64147       1.995921  89.24054       2.834357  88.05219       2.811102  0.6306686      2.120919  
1 1 1 -13 19 11 o 218.6627 2.302822  480.0189       10.06637  472.6592       13.99015  487.9196       14.49529  -3.455002      4.605644  
1 1 1 -13 19 12 f 65.83302 0.8072080 43.34781       1.062558  42.64925       1.482725  44.08529       1.523470  -1.089661      1.614416  
1 1 1 -13 19 13 o 232.8809 2.450390  545.2440       11.41298  545.3203       16.14700  545.1678       16.13378  0.3169250E-01  4.900780  
1 1 1 -13 19 14 o 142.1868 1.526380  202.1589       4.332800  209.6988       6.360953  195.6326       5.918007  4.924362       3.052760  
1 1 1 -13 19 15 o 62.82102 0.7896646 39.32339       0.9895247 41.71334       1.466071  37.32362       1.341067  3.490543       1.579329  
1 1 1 -13 19 16 o 77.20140 0.9066246 59.53510       1.398094  57.51219       1.919367  61.82164       2.040603  -2.787338      1.813249  
1 1 1 -13 19 17 o 138.8981 1.494113  193.2734       4.149262  190.5490       5.780812  196.1685       5.959136  -2.013657      2.988226  
1 1 1 -13 19 18 f 99.07614 1.108480  97.64568       2.185419  104.4427       3.296261  92.31449       2.919264  6.105476       2.216960  
1 1 1 -13 19 19 o 211.1229 2.228858  447.8243       9.404569  438.9768       13.01029  457.5065       13.61011  -4.335739      4.457716  
1 1 1 -13 19 20 o 35.56459 0.6413372 12.41708       0.4514044 10.34260       0.5963847 15.19971       0.6907180 -6.826004      1.282674  
1 1 1 -13 19 21 o 74.67102 0.8870106 55.78788       1.324235  56.73166       1.902824  54.90150       1.844061  1.223160       1.774021  
1 1 1 -13 19 22 o 50.11304 0.7022357 25.11785       0.7036616 24.57301       0.9825913 25.69140       1.008157  -1.115055      1.404471  
1 1 1 -13 19 23 o 31.89192 0.6393760 10.10099       0.4062525 11.10948       0.6073431 9.284391       0.5465146 2.859531       1.278752  
1 1 1 -13 19 24 o 39.06198 0.6534990 15.23050       0.5098129 15.95848       0.7457315 14.59173       0.6985479 1.747940       1.306998  
1 1 1 -13 19 25 o 23.25691 0.7229487 5.287245       0.3322344 6.517147       0.5151173 4.411207       0.4347428 4.524553       1.445897  
1 1 1 -13 19 26 o 53.93304 0.7904598 28.71240       0.8400396 26.92763       1.084547  31.38881       1.328109  -4.125507      1.580920  
1 1 1 -13 19 27 o 78.91603 0.9320939 62.30662       1.470344  60.73005       2.038664  64.01573       2.122639  -2.077423      1.864188  
1 1 1 -13 19 28 o 96.39754 1.089735  93.05614       2.099964  94.70630       3.025945  91.52300       2.916663  1.644142       2.179470  
1 1 1 -13 19 29 o 66.26534 0.8296337 43.50344       1.091306  47.67653       1.672062  40.40660       1.440397  5.473022       1.659267  
1 1 1 -13 19 30 o 67.24458 0.8404906 45.26399       1.130146  44.31645       1.579768  46.25725       1.617432  -1.440872      1.680981  
1 1 1 -13 19 31 o 69.01508 0.8563166 47.61921       1.180359  49.17740       1.724372  46.24539       1.619151  2.117859       1.712633  
1 1 1 -13 19 32 o 51.16945 0.7359276 26.13522       0.7519875 24.43567       1.032673  28.05381       1.097200  -3.531845      1.471855  
1 1 1 -13 19 33 o 93.90716 1.076208  88.01293       2.014488  83.69323       2.717174  93.28532       3.001887  -5.081924      2.152416  
1 1 1 -13 19 34 o 23.85754 0.7811272 5.487022       0.3652699 7.266870       0.5810066 4.323785       0.4697035 6.160465       1.562254  
1 1 1 -13 19 35 o 54.04446 0.7593841 29.24862       0.8204304 29.41530       1.179835  29.09255       1.141635  0.2958107      1.518768  
1 1 1 -13 19 36 o 35.57061 0.7127707 12.63642       0.5052347 13.06576       0.7521378 12.28340       0.6820172 1.094551       1.425541  
1 1 1 -13 19 37 o 61.54815 0.8197460 37.96148       1.008823  37.82170       1.441509  38.09565       1.412322  -0.2251053     1.639492  
1 1 1 -13 19 38 o 15.23462 1.321242  2.065433       0.3721423 3.095147       0.7135657 1.680728       0.4361540 4.599905       2.642484  
1 1 1 -13 19 39 o 55.31803 1.076749  30.53314       1.184168  32.39500       1.794156  29.09607       1.576257  2.953178       2.153499  
1 1 1 -13 19 40 o 40.70424 0.9250681 16.61524       0.7514537 16.53914       1.028317  16.70245       1.100816  -0.1918602     1.850136  
1 1 1 -13 19 41 o 48.50074 0.7708874 23.47788       0.7444935 24.58825       1.115813  22.58693       0.9995079 2.051018       1.541775  
1 1 1 -13 19 42 o 86.29432 1.029210  74.63225       1.773032  77.13859       2.602901  72.46256       2.421777  2.683029       2.058420  
1 1 1 -13 19 43 o 74.77403 0.9364062 56.11799       1.400199  55.87929       1.993708  56.35032       1.966926  -0.3186340     1.872812  
1 1 1 -13 19 44 o 42.46177 0.7700316 18.09764       0.6528208 17.67637       0.9447442 18.48260       0.9031180 -0.9543686     1.540063  
1 1 1 -13 19 45 o 27.86793 0.8470379 7.675175       0.4663577 8.535375       0.7312999 7.085581       0.6054424 2.582710       1.694076  
1 1 1 -13 19 46 o 40.70053 0.7815670 16.64097       0.6350821 16.07598       0.9157841 17.16443       0.8814814 -1.341862      1.563134  
1 1 1 -13 19 47 o 74.88942 0.9570318 56.28693       1.432642  54.16605       1.988737  58.57485       2.065569  -2.930145      1.914064  
1 1 1 -13 19 48 o 29.04964 0.8852037 8.494937       0.5103399 8.312566       0.7664157 8.640216       0.6840469 -0.5782661     1.770407  
1 1 1 -13 19 49 o 35.76631 0.8375727 12.85368       0.5957378 12.75591       0.8893698 12.93326       0.8023370 -0.2628822     1.675145  
1 1 1 -13 19 50 o 21.79086 1.261402  4.913137       0.5359989 5.781439       0.7304751 3.900310       0.7889289 4.332384       2.522803  
1 1 1 -13 19 51 o 77.62892 1.268243  61.11556       1.960352  64.21547       2.695280  57.63383       2.856448  4.285225       2.536487  
1 1 1 -13 19 52 f 26.28878 1.481474  7.354322       0.7409112 5.375298       1.126392  8.863586       0.9836641 -6.684122      2.962949  
1 1 1 -13 19 53 o 26.10927 1.406366  6.582133       0.7150690 8.473520       1.188137  5.507980       0.8953850 5.577734       2.812732  
1 1 1 -13 19 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 20 1  o 182.5085 1.932581  334.1743       7.051849  339.2366       10.13239  329.4188       9.820563  2.668854       3.865163  
1 1 1 -13 20 2  o 123.8280 1.667380  153.4542       3.856634  152.9306       4.678087  154.5650       6.813825  -0.5399857     3.334761  
1 1 1 -13 20 3  o 127.3144 1.978574  162.6782       5.037287  161.4661       7.053658  163.9397       7.196074  -0.9618607     3.957148  
1 1 1 -13 20 4  o 78.96056 1.347953  62.45142       2.128615  63.16507       3.025265  61.75171       2.995587  0.8936234      2.695906  
1 1 1 -13 20 5  o 86.66048 1.438188  74.98036       2.485610  71.89782       3.365987  78.67722       3.686158  -3.895874      2.876375  
1 1 1 -13 20 6  o 61.79429 0.9796105 37.94563       1.113433  38.91886       2.032924  37.52858       1.330784  1.102039       1.959221  
1 1 1 -13 20 7  o 74.40410 0.8771482 55.10542       1.300272  58.67300       1.944911  52.22214       1.748462  4.329170       1.754296  
1 1 1 -13 20 8  o 101.0120 1.121907  102.1422       2.266258  103.1439       3.234971  101.1768       3.175793  0.9713974      2.243813  
1 1 1 -13 20 9  o 80.18599 0.9325525 64.34628       1.495429  63.92606       2.098854  64.77956       2.131229  -0.5311584     1.865105  
1 1 1 -13 20 10 o 182.3638 1.932881  333.7396       7.048959  331.1627       9.881129  336.4099       10.05871  -1.426804      3.865761  
1 1 1 -13 20 11 f 49.86885 0.6958917 24.87791       0.6940233 25.20705       0.9878290 24.55708       0.9752855 0.6513710      1.391783  
1 1 1 -13 20 12 o 190.6446 2.017375  364.7793       7.688680  359.0063       10.68636  370.9749       11.07069  -3.110962      4.034749  
1 1 1 -13 20 13 o 66.54800 0.8162853 44.30792       1.086316  43.65483       1.522213  44.98571       1.550748  -0.9990616     1.632571  
1 1 1 -13 20 14 o 47.49129 0.6802754 22.51856       0.6452718 23.45679       0.9429654 21.69230       0.8849037 1.856133       1.360551  
1 1 1 -13 20 15 o 80.40502 0.9354632 64.69252       1.503933  63.70469       2.098156  65.73637       2.156823  -1.261108      1.870926  
1 1 1 -13 20 16 o 60.81130 0.7757197 36.97029       0.9428510 36.00056       1.305235  38.02847       1.363455  -1.665401      1.551439  
1 1 1 -13 20 17 o 69.80695 0.8460455 48.35514       1.174072  52.50437       1.783440  45.18153       1.559732  5.236610       1.692091  
1 1 1 -13 20 18 o 128.5487 1.394900  165.5452       3.584274  162.3925       4.970537  168.9604       5.173406  -2.541809      2.789799  
1 1 1 -13 20 19 o 54.04880 0.7330568 29.08168       0.7900981 31.25264       1.173488  27.28146       1.068598  3.670128       1.466114  
1 1 1 -13 20 20 o 13.21047 0.9689420 1.703859       0.2518367 2.210440       0.3890946 1.338652       0.3303695 3.296903       1.937884  
1 1 1 -13 20 21 f 139.1111 1.501352  193.8270       4.171752  199.9496       6.087732  188.4063       5.728168  4.121994       3.002704  
1 1 1 -13 20 22 o 33.84418 0.8028960 11.08255       0.5296792 13.16580       0.8760759 9.882259       0.6649867 4.842133       1.605792  
1 1 1 -13 20 23 o 28.02478 0.8409759 7.758337       0.4674843 8.675505       0.7197798 7.089184       0.6148063 2.825462       1.681952  
1 1 1 -13 20 24 o 60.50801 0.7832014 36.52422       0.9457291 38.46534       1.394921  34.87295       1.286566  2.963867       1.566403  
1 1 1 -13 20 25 o 30.88198 0.6600362 9.536467       0.4070533 9.670683       0.5939159 9.417571       0.5589908 0.4084854      1.320072  
1 1 1 -13 20 26 f 83.23389 0.9710950 69.39300       1.616556  69.18472       2.285594  69.60149       2.286716  -0.2502899     1.942190  
1 1 1 -13 20 27 o 13.61460 1.014414  1.892342       0.2708308 1.614193       0.4050763 2.117189       0.3642013 -1.850039      2.028829  
1 1 1 -13 20 28 o 82.07019 0.9635938 66.99313       1.573847  62.85121       2.102455  72.27249       2.373650  -5.721405      1.927188  
1 1 1 -13 20 29 o 64.57896 0.8234656 41.70554       1.062773  40.33937       1.468624  43.20748       1.539882  -2.216457      1.646931  
1 1 1 -13 20 30 o 102.2549 1.150474  104.8031       2.351653  106.6829       3.390439  103.0603       3.264610  1.760124       2.300948  
1 1 1 -13 20 31 o 108.3284 1.209105  117.6202       2.617465  114.6364       3.614011  120.9121       3.796002  -2.878357      2.418211  
1 1 1 -13 20 32 o 27.13473 0.7263407 7.335255       0.3924785 7.757998       0.5886827 6.996988       0.5265903 1.398325       1.452681  
1 1 1 -13 20 33 o 102.5800 1.157599  105.3425       2.370609  101.4534       3.236253  109.8457       3.482354  -4.063416      2.315198  
1 1 1 -13 20 34 o 68.96733 0.8685788 47.66790       1.198024  47.07610       1.688927  48.26723       1.699648  -0.8625870     1.737158  
1 1 1 -13 20 35 o 20.47649 1.108806  4.171237       0.4411729 4.362449       0.7215258 4.057065       0.5575381 0.7265091      2.217611  
1 1 1 -13 20 36 o 34.16659 0.9649592 11.71519       0.6566314 11.62883       0.9722248 11.78763       0.8903955 -0.2412529     1.929918  
1 1 1 -13 20 37 o 51.52177 0.9627767 26.30027       0.9764872 24.89121       1.259364  28.42461       1.546313  -3.395977      1.925553  
1 1 1 -13 20 38 o 52.91626 0.7768093 28.03005       0.8209922 28.65043       1.197885  27.48050       1.127432  1.098461       1.553619  
1 1 1 -13 20 39 o 26.22550 0.8092501 6.730382       0.4178267 7.833142       0.6665872 6.016714       0.5362470 3.448864       1.618500  
1 1 1 -13 20 40 o 15.93637 1.114158  2.506405       0.3497490 2.808790       0.5552918 2.307566       0.4502903 1.556449       2.228315  
1 1 1 -13 20 41 o 72.52309 0.9131171 52.54457       1.319482  55.34855       1.970673  50.26604       1.776461  3.478249       1.826234  
1 1 1 -13 20 42 o 46.73137 0.7705265 21.87526       0.7192029 20.34573       1.002617  23.49652       1.032243  -3.367771      1.541053  
1 1 1 -13 20 43 f 49.00201 0.7826446 23.88723       0.7622327 25.75808       1.158671  22.45987       1.012062  3.346443       1.565289  
1 1 1 -13 20 44 o 46.70573 0.7845980 21.90987       0.7316486 20.49774       1.037071  23.30920       1.032360  -3.010414      1.569196  
1 1 1 -13 20 45 o 12.14577 1.600235  1.591073       0.3617547 1.283435       0.5898423 1.776560       0.4580077 -2.267229      3.200471  
1 1 1 -13 20 46 o 22.49815 0.9459702 5.061107       0.4172065 5.207871       0.6632376 4.965004       0.5366907 0.5174007      1.891940  
1 1 1 -13 20 47 o 34.30990 0.8099202 11.78082       0.5523296 12.11476       0.8335701 11.51946       0.7374551 0.8520393      1.619840  
1 1 1 -13 20 48 o 16.47967 1.276843  2.774387       0.4114526 2.576841       0.6405497 2.913150       0.5368519 -1.048434      2.553685  
1 1 1 -13 20 49 o 51.71728 0.9185683 26.95746       0.9468676 27.92283       1.301368  25.87150       1.380258  1.999176       1.837137  
1 1 1 -13 20 50 o 23.52073 1.415687  5.531381       0.6479982 5.915382       1.059945  5.302206       0.8188415 1.225336       2.831374  
1 1 1 -13 20 51 o 23.16930 1.492536  5.538314       0.6706675 5.066255       1.062070  5.851393       0.8649324 -1.766762      2.985073  
1 1 1 -13 20 52 o 31.92418 1.295958  10.31631       0.8133792 10.27233       1.270904  10.34682       1.058571  -0.1834755     2.591917  
1 1 1 -13 21 1  o 37.79623 0.6201083 14.28710       0.4686413 14.73037       0.6695065 13.86126       0.6562113 1.149361       1.240217  
1 1 1 -13 21 2  o 124.5138 1.352807  155.1758       3.364918  151.1510       4.626392  159.6965       4.903076  -3.414886      2.705615  
1 1 1 -13 21 3  o 22.53112 0.6110397 5.062487       0.2748488 5.494581       0.4009717 4.679539       0.3774807 1.808067       1.222079  
1 1 1 -13 21 4  o 109.0134 1.735747  119.2721       3.783988  118.4060       5.305594  120.1688       5.398347  -0.8013916     3.471493  
1 1 1 -13 21 5  o 32.09264 0.6046828 10.25930       0.3868690 10.84299       0.5757666 9.778873       0.5223556 1.656464       1.209366  
1 1 1 -13 21 6  o 122.2837 1.331013  149.5467       3.249777  155.0925       4.764817  144.7231       4.443722  4.221062       2.662027  
1 1 1 -13 21 7  o 104.1359 1.447300  107.4984       2.772767  105.6481       3.310016  111.8515       5.076965  -2.867538      2.894601  
1 1 1 -13 21 8  o 40.67490 1.049799  16.49718       0.8517278 18.27435       1.247175  14.94390       1.165971  4.090218       2.099599  
1 1 1 -13 21 9  o 90.71057 1.496013  82.42338       2.711417  80.54956       3.736939  84.50656       3.940172  -2.167572      2.992026  
1 1 1 -13 21 10 o 79.88298 1.364000  63.94063       2.178793  65.16977       3.118422  62.76836       3.045432  1.498611       2.728000  
1 1 1 -13 21 11 o 119.2060 1.631446  138.0353       3.497424  152.9946       6.753075  132.5522       4.088448  8.381119       3.262891  
1 1 1 -13 21 12 f 17.48383 1.063598  2.782174       0.2998551 3.548179       0.7010354 2.610648       0.3317327 2.663601       2.127196  
1 1 1 -13 21 13 o 106.2053 1.176513  112.6117       2.492482  107.9720       3.380249  118.1402       3.689873  -4.770302      2.353025  
1 1 1 -13 21 14 o 24.24493 0.6440134 5.872946       0.3116204 6.005339       0.4579043 5.758736       0.4252957 0.5075836      1.288027  
1 1 1 -13 21 15 o 23.16046 0.6822314 5.381574       0.3123428 4.363564       0.4340319 6.475043       0.4498304 -4.557859      1.364463  
1 1 1 -13 21 16 o 64.06734 0.8056573 41.05293       1.031837  40.13783       1.432531  42.03960       1.487497  -1.482021      1.611315  
1 1 1 -13 21 17 o 61.08150 0.7812787 37.34207       0.9544314 37.23945       1.349292  37.44484       1.350248  -0.1680832     1.562557  
1 1 1 -13 21 18 o 60.98334 1.056957  36.44780       1.269121  41.77635       2.022271  32.98560       1.630091  7.185852       2.113914  
1 1 1 -13 21 19 o 34.59359 0.8319934 11.93505       0.5733402 12.45733       0.8567218 11.51141       0.7715943 1.363407       1.663987  
1 1 1 -13 21 20 o 111.6494 1.233983  124.2631       2.743336  131.9810       4.118657  118.1085       3.677965  6.182892       2.467966  
1 1 1 -13 21 21 o 27.76745 0.6718449 7.713624       0.3723612 7.749666       0.5446939 7.682003       0.5101941 0.1205482      1.343690  
1 1 1 -13 21 22 o 78.55571 0.9324033 61.25897       1.455307  66.37795       2.216954  57.38278       1.929157  5.709717       1.864807  
1 1 1 -13 21 23 o 70.99066 0.8681296 50.44252       1.232292  49.49047       1.720099  51.44635       1.766267  -1.375069      1.736259  
1 1 1 -13 21 24 o 56.64430 0.7604368 31.73674       0.8548557 35.20449       1.312146  29.17945       1.126806  5.308777       1.520874  
1 1 1 -13 21 25 o 37.69208 0.6760186 13.98190       0.5046977 15.98488       0.7829751 12.55808       0.6601424 4.539936       1.352037  
1 1 1 -13 21 26 o 51.59954 0.7330694 26.65424       0.7564644 26.24668       1.068707  27.06347       1.070901  -0.7913551     1.466139  
1 1 1 -13 21 27 f 60.12194 0.7931105 35.84280       0.9485281 32.85234       1.263954  39.69812       1.435135  -5.683147      1.586221  
1 1 1 -13 21 28 o 20.00509 0.7917909 3.979115       0.3145398 4.238361       0.4797335 3.783635       0.4165756 1.132492       1.583582  
1 1 1 -13 21 29 o 50.67462 0.7354193 25.52054       0.7425544 23.24356       1.001077  28.30579       1.107183  -4.988239      1.470839  
1 1 1 -13 21 30 o 21.98832 0.7908761 4.900715       0.3432706 4.095248       0.4941087 5.652143       0.4772462 -3.541456      1.581752  
1 1 1 -13 21 31 o 17.58926 0.9402363 3.206164       0.3197242 2.501643       0.4807414 3.764931       0.4281339 -3.595766      1.880473  
1 1 1 -13 21 32 o 41.52964 0.9489471 17.29865       0.7864075 17.20248       1.149781  17.38319       1.077983  -0.2246361     1.897894  
1 1 1 -13 21 33 o 51.77001 1.030901  26.85199       1.066259  25.16908       1.481355  28.66127       1.535964  -3.366817      2.061802  
1 1 1 -13 21 34 o 82.96468 1.195295  69.01350       1.888127  68.71896       2.334513  69.57056       3.210554  -0.3969269     2.390590  
1 1 1 -13 21 35 o 14.18514 1.118763  1.996308       0.3144982 2.196975       0.4860629 1.851800       0.4124766 1.206854       2.237525  
1 1 1 -13 21 36 o 15.05484 1.228008  2.149538       0.3304399 3.777540       0.5430345 1.192261       0.4164076 8.694049       2.456016  
1 1 1 -13 21 37 o 10.34039 1.559112  1.117504       0.3087995 1.123880       0.4817694 1.113058       0.4023100 0.6203651E-02  3.118225  
1 1 1 -13 21 38 o 58.86415 0.8142847 34.60617       0.9568130 32.28653       1.307492  37.28060       1.403925  -4.231297      1.628569  
1 1 1 -13 21 39 o 28.97282 0.7857888 8.318685       0.4500883 9.031550       0.7019628 7.821008       0.5865214 2.076054       1.571578  
1 1 1 -13 21 40 o 37.23521 0.7557290 13.76490       0.5589043 14.99914       0.8534281 12.83804       0.7395641 2.889317       1.511458  
1 1 1 -13 21 41 o 19.02813 1.017438  3.398956       0.3731510 5.041487       0.6190801 2.461696       0.4676491 6.754707       2.034876  
1 1 1 -13 21 42 o 26.55048 0.8702050 7.204525       0.4536669 6.004597       0.6677676 8.233102       0.6182532 -4.204084      1.740410  
1 1 1 -13 21 43 o 19.11303 1.073124  3.839872       0.3918746 2.866092       0.5962729 4.580255       0.5199274 -4.498178      2.146249  
1 1 1 -13 21 44 o 61.72259 0.8617134 38.21278       1.062440  38.79500       1.546089  37.69186       1.462433  0.8805885      1.723427  
1 1 1 -13 21 45 o 26.24647 0.8931286 6.679819       0.4605321 8.385945       0.7382878 5.593108       0.5892196 5.294479       1.786257  
1 1 1 -13 21 46 o 18.63910 1.176217  3.717631       0.4118622 2.593635       0.6332396 4.541726       0.5422183 -5.246233      2.352434  
1 1 1 -13 21 47 o 32.94541 0.8642511 11.00753       0.5640607 9.669817       0.8191687 12.21366       0.7778395 -3.868599      1.728502  
1 1 1 -13 21 48 o 26.58077 1.127306  6.966352       0.5916564 6.182985       0.7657208 8.126979       0.9320403 -3.615198      2.254611  
1 1 1 -13 21 49 o 62.16501 1.246183  39.06470       1.547235  38.60484       2.240278  39.48411       2.139445  -0.7366943     2.492367  
1 1 1 -13 21 50 o 47.25663 1.184071  22.65253       1.114100  21.01428       1.612390  24.14925       1.541172  -3.338181      2.368142  
1 1 1 -13 21 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 22 1  f 106.8365 1.639708  114.3771       3.498596  110.9136       4.795547  118.3181       5.115455  -3.438438      3.279417  
1 1 1 -13 22 2  f 47.70636 1.767648  22.81002       1.686561  22.81002       1.686561  ?              ?         ?              ?         
1 1 1 -13 22 3  o 62.75275 1.047863  38.96668       1.304510  35.91813       1.717074  43.12830       2.006196  -5.729633      2.095725  
1 1 1 -13 22 4  o 47.26674 0.6881688 22.31488       0.6498908 23.30412       0.9453520 21.42842       0.8948914 1.982426       1.376338  
1 1 1 -13 22 5  o 106.7010 1.184886  113.4562       2.517715  107.7968       3.377351  120.5352       3.777295  -5.945549      2.369771  
1 1 1 -13 22 6  o 78.32491 0.9191096 61.40953       1.439575  60.77535       2.015246  62.07034       2.057133  -0.8247604     1.838219  
1 1 1 -13 22 7  o 14.77500 0.7773839 2.181993       0.2291094 2.223013       0.3378508 2.147069       0.3117411 0.2559843      1.554768  
1 1 1 -13 22 8  o 138.2185 1.492231  191.2944       4.118840  185.5722       5.641593  197.8260       6.027364  -4.403748      2.984462  
1 1 1 -13 22 9  o 109.5406 1.216100  120.2253       2.663883  119.0345       3.730331  121.4645       3.805389  -1.104591      2.432199  
1 1 1 -13 22 10 o 70.09946 1.151175  49.11813       1.610823  51.01662       2.368003  47.48301       2.197621  2.510353       2.302351  
1 1 1 -13 22 11 o 68.85506 1.136854  47.25077       1.560266  44.60660       2.103478  50.48516       2.326429  -4.255615      2.273709  
1 1 1 -13 22 12 o 44.24020 0.8722170 18.55820       0.7471588 23.93962       1.266269  15.68393       0.9254246 9.314804       1.744434  
1 1 1 -13 22 13 o 40.78231 1.215417  16.65050       0.9913498 16.65050       0.9913498 ?              ?         ?              ?         
1 1 1 -13 22 14 o 19.95004 1.126654  3.600371       0.4155639 3.053719       0.4878147 5.046721       0.7934808 -4.976267      2.253307  
1 1 1 -13 22 15 o 102.3549 1.651204  105.0785       3.377331  108.2023       4.900164  102.2518       4.661316  2.885246       3.302408  
1 1 1 -13 22 16 o 12.31655 1.925973  1.580000       0.4623474 1.783195       0.6706917 1.395998       0.6382312 1.534164       3.851945  
1 1 1 -13 22 17 o 82.40659 1.405093  68.11847       2.315471  67.81475       3.245140  68.43346       3.304817  -0.3706360     2.810186  
1 1 1 -13 22 18 o 43.48232 1.056017  18.91562       0.9176580 19.92791       1.324694  17.98165       1.272413  2.234741       2.112034  
1 1 1 -13 22 19 o 61.72811 1.010719  35.97168       1.094419  42.79991       2.232740  33.81225       1.255604  7.219296       2.021439  
1 1 1 -13 22 20 o 41.25555 0.6765645 17.03320       0.5581364 16.57847       0.7852785 17.49742       0.7934330 -1.113361      1.353129  
1 1 1 -13 22 21 o 63.35444 0.8093346 40.01762       1.022884  37.85264       1.387271  42.59692       1.514203  -3.737068      1.618669  
1 1 1 -13 22 22 o 33.82095 0.6713027 11.30507       0.4502748 9.484544       0.6031158 13.59764       0.6768054 -6.077227      1.342605  
1 1 1 -13 22 23 o 67.88994 0.8446143 46.14901       1.146599  46.49796       1.640051  45.81539       1.603633  0.5005341      1.689229  
1 1 1 -13 22 24 o 47.44353 0.7075863 22.15297       0.6646954 25.27384       1.033183  19.94907       0.8682308 5.602951       1.415173  
1 1 1 -13 22 25 o 20.58920 0.7824829 4.212719       0.3209675 4.655066       0.4796228 3.853945       0.4319450 1.942488       1.564966  
1 1 1 -13 22 26 o 58.55518 0.7811586 34.33424       0.9147624 33.80707       1.288185  34.87049       1.299224  -0.9073257     1.562317  
1 1 1 -13 22 27 o 23.51348 0.7529932 5.537786       0.3530133 5.521777       0.5197063 5.551498       0.4810087 -0.6575584E-01 1.505986  
1 1 1 -13 22 28 o 24.59233 0.8836537 6.217338       0.4055607 5.608375       0.6966394 6.529537       0.4988023 -1.888863      1.767307  
1 1 1 -13 22 29 o 64.88162 1.141706  42.15965       1.479826  40.17221       2.035486  44.38779       2.155223  -3.234810      2.283412  
1 1 1 -13 22 30 o 34.87207 0.9223922 12.16580       0.6406842 12.46285       0.9550164 11.92272       0.8639424 0.7656517      1.844784  
1 1 1 -13 22 31 o 72.68916 1.077626  52.90867       1.492272  52.64623       1.845857  53.40381       2.535405  -0.4419250     2.155252  
1 1 1 -13 22 32 o 19.66400 0.8871623 3.903058       0.3453158 3.665407       0.5177320 4.093498       0.4634629 -1.093971      1.774325  
1 1 1 -13 22 33 f 37.02189 0.7148973 13.57858       0.5253917 14.95376       0.8051284 12.55869       0.6933666 3.225048       1.429795  
1 1 1 -13 22 34 o 46.99494 0.7453519 22.10418       0.6997402 20.64695       0.9732755 23.66333       1.006737  -3.206085      1.490704  
1 1 1 -13 22 35 f 17.92146 0.9811519 3.087587       0.3437229 4.172031       0.5510607 2.396985       0.4397539 4.937725       1.962304  
1 1 1 -13 22 36 o 43.04416 0.7423239 18.58353       0.6384681 17.81576       0.9079502 19.33454       0.8979926 -1.765213      1.484648  
1 1 1 -13 22 37 o 67.01743 0.8687357 44.85123       1.160140  47.28549       1.731903  42.86985       1.562512  3.273354       1.737471  
1 1 1 -13 22 38 o 22.70059 0.8803657 5.029892       0.3931440 5.963877       0.6294352 4.432447       0.5034199 3.356821       1.760731  
1 1 1 -13 22 39 o 30.14079 0.7849156 9.148293       0.4702366 8.701262       0.6947085 9.526303       0.6388299 -1.375414      1.569831  
1 1 1 -13 22 40 o 12.59790 1.459476  1.507651       0.3429319 2.494292       0.5684710 0.9431794      0.4299817 6.267306       2.918953  
1 1 1 -13 22 41 o 24.95884 0.8746759 6.355776       0.4285089 5.580782       0.6464524 6.963186       0.5723057 -2.780645      1.749352  
1 1 1 -13 22 42 o 19.98081 1.021739  3.802529       0.3974223 5.135114       0.6559434 3.029627       0.4995525 5.240314       2.043479  
1 1 1 -13 22 43 o 19.97947 1.026385  3.933359       0.4032945 4.450061       0.6446798 3.601140       0.5169345 2.099699       2.052769  
1 1 1 -13 22 44 o 13.06633 1.470441  1.672672       0.3681008 2.157549       0.6045387 1.386981       0.4640409 3.068789       2.940881  
1 1 1 -13 22 45 o 27.99081 0.8943639 7.893382       0.4966688 7.698755       0.7462362 8.048161       0.6654727 -0.6394539     1.788728  
1 1 1 -13 22 46 o 49.89046 0.9049659 24.78351       0.8929716 23.53921       1.166704  26.54337       1.387510  -2.966484      1.809932  
1 1 1 -13 22 47 o 24.53986 1.217946  6.076917       0.5976427 5.941578       0.8354219 6.218778       0.8553182 -0.5592976     2.435891  
1 1 1 -13 22 48 o 29.82081 1.214948  9.031263       0.7103289 8.730116       1.110547  9.239769       0.9240765 -0.9094276     2.429895  
1 1 1 -13 22 49 o 15.27128 2.094140  2.619081       0.5894411 1.917160       0.9820798 3.014317       0.7369373 -3.906641      4.188280  
1 1 1 -13 22 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 23 1  o 74.78111 0.8893971 55.97622       1.329822  55.25672       1.854322  56.73809       1.908137  -0.9876785     1.778794  
1 1 1 -13 23 2  o 79.26985 0.9304879 62.69163       1.471515  66.15379       2.176811  59.77814       1.996884  4.011864       1.860976  
1 1 1 -13 23 3  o 60.04467 0.7677758 36.06161       0.9215162 35.33405       1.277971  36.84966       1.330028  -1.259789      1.535552  
1 1 1 -13 23 4  o 20.09539 0.7022330 3.963407       0.2712236 2.621795       0.3581773 5.766701       0.4152578 -7.822744      1.404466  
1 1 1 -13 23 5  o 28.54093 0.6227584 8.144958       0.3552038 8.613051       0.5092564 7.701477       0.4956866 1.596483       1.245517  
1 1 1 -13 23 6  o 26.12688 0.7104763 6.773509       0.3620401 6.579176       0.4602525 7.088911       0.5863494 -0.9704514     1.420953  
1 1 1 -13 23 7  o 20.37241 0.6829169 4.013929       0.2725200 5.385541       0.4283333 3.081112       0.3532356 5.652874       1.365834  
1 1 1 -13 23 8  o 44.40271 0.6650043 19.52911       0.5871449 21.64655       0.8907797 17.90245       0.7807530 4.211899       1.330009  
1 1 1 -13 23 9  o 100.8347 1.127986  101.8550       2.274274  100.4908       3.175098  103.2924       3.259166  -1.383705      2.255973  
1 1 1 -13 23 10 o 24.62954 0.6529659 6.069293       0.3210908 6.089122       0.4683974 6.051714       0.4410201 0.7489967E-01  1.305932  
1 1 1 -13 23 11 o 94.60229 1.070928  89.12497       2.017098  95.20573       3.032003  84.29691       2.701698  5.744629       2.141857  
1 1 1 -13 23 12 o 44.80489 0.6758935 20.01674       0.6045365 18.80104       0.8254974 21.42281       0.8877838 -2.923203      1.351787  
1 1 1 -13 23 13 o 31.10499 0.6440957 9.442047       0.3956868 11.55662       0.6181007 7.973739       0.5150583 5.755177       1.288191  
1 1 1 -13 23 14 o 7.648743 1.408174  0.5975235      0.2151234 0.6867106      0.3365004 0.5358786      0.2797586 0.9320517      2.816348  
1 1 1 -13 23 15 o 38.38741 0.6620138 14.73119       0.5078083 13.88794       0.7061160 15.63447       0.7308197 -2.273769      1.324028  
1 1 1 -13 23 16 o 44.78356 0.6833784 19.98805       0.6107674 18.60730       0.8326099 21.59663       0.8986802 -3.334377      1.366757  
1 1 1 -13 23 17 o 55.09716 0.7455931 30.19741       0.8181944 32.47618       1.227244  28.37415       1.097757  3.715752       1.491186  
1 1 1 -13 23 18 o 79.59294 0.9389664 63.38437       1.493260  65.12630       2.169919  61.81734       2.058093  2.071312       1.877933  
1 1 1 -13 23 19 o 35.16275 0.6655756 12.29971       0.4659559 13.14465       0.7004318 11.62895       0.6240798 2.151653       1.331151  
1 1 1 -13 23 20 o 131.6228 1.433112  173.8735       3.770439  177.3870       5.444017  170.6346       5.227013  2.541931       2.866224  
1 1 1 -13 23 21 o 25.66361 0.7141205 6.523739       0.3644535 7.287530       0.5523008 5.934624       0.4850526 2.632048       1.428241  
1 1 1 -13 23 22 o 147.3495 1.959977  220.4772       5.484668  223.7019       6.796752  214.4574       9.286384  3.532913       3.919954  
1 1 1 -13 23 23 o 37.28040 0.9461591 14.13357       0.6839787 14.85323       0.8795343 13.03243       1.087951  2.458584       1.892318  
1 1 1 -13 23 24 o 81.71956 1.408945  67.11083       2.302704  67.68131       3.270610  66.55008       3.242601  0.6886292      2.817890  
1 1 1 -13 23 25 o 25.93852 1.755167  0.000000       0.000000  ?              ?         6.755812       0.9105287 ?              ?         
1 1 1 -13 23 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 23 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 23 28 o 10.58755 3.055035  1.161864       0.6827841 1.161864       0.6827841 ?              ?         ?              ?         
1 1 1 -13 23 29 f 114.6120 1.834590  132.6670       4.203349  135.4585       6.058074  130.0756       5.836957  2.303078       3.669180  
1 1 1 -13 23 30 o 73.51704 1.321380  54.35174       1.942621  53.85675       2.720813  54.86646       2.774537  -0.6783905     2.642761  
1 1 1 -13 23 31 o 99.00172 1.406583  97.61847       2.577814  101.5235       4.664906  95.90183       3.092950  2.570702       2.813167  
1 1 1 -13 23 32 o 134.5976 1.823689  183.1317       4.604849  184.0921       8.056001  182.6656       5.612050  -0.4005432E-01 3.647378  
1 1 1 -13 23 33 o 46.67779 0.9426430 21.74529       0.8046543 22.15083       1.481160  21.57548       0.9584182 0.5511360      1.885286  
1 1 1 -13 23 34 o 76.94987 1.168519  59.97076       1.695282  58.17441       2.912309  60.89143       2.084934  -1.895744      2.337038  
1 1 1 -13 23 35 o 88.71262 1.138675  79.24522       1.997760  78.21600       3.051416  80.01732       2.642927  -1.081947      2.277349  
1 1 1 -13 23 36 o 99.29683 1.241191  99.32995       2.436705  98.54289       3.731002  99.91532       3.217729  -0.7841415     2.482382  
1 1 1 -13 23 37 o 41.13763 0.8480917 17.21023       0.6788609 15.88606       1.070199  18.10179       0.8781464 -2.717949      1.696183  
1 1 1 -13 23 38 o 40.51455 0.8392478 16.47521       0.6554095 16.44903       1.081634  16.49041       0.8238888 -0.8739471E-01 1.678496  
1 1 1 -13 23 39 f 22.04605 0.9806234 5.062231       0.4164933 3.953652       0.6327100 5.909914       0.5532714 -4.450066      1.961247  
1 1 1 -13 23 40 o 24.98209 1.029379  6.583766       0.4720660 5.441104       0.8132718 7.164383       0.5797245 -3.489826      2.058758  
1 1 1 -13 23 41 o 21.25883 1.113551  4.237539       0.4366439 5.364239       0.8269027 3.801907       0.5141736 3.609804       2.227103  
1 1 1 -13 23 42 o 16.61799 1.389692  2.816358       0.4089881 2.736881       0.7832709 2.846150       0.4795540 -0.4095383     2.779384  
1 1 1 -13 23 43 o 71.61204 1.029229  51.73287       1.449196  50.83899       2.256430  52.36045       1.890681  -1.138962      2.058458  
1 1 1 -13 23 44 o 17.45332 1.550340  2.979286       0.4623372 3.314526       0.9652594 2.879478       0.5266835 1.098104       3.100680  
1 1 1 -13 23 45 o 30.60498 1.159452  9.383812       0.6729574 9.640980       1.158741  9.252926       0.8266573 0.5493832      2.318903  
1 1 1 -13 23 46 o 9.179866 3.203036  0.000000       0.000000  ?              ?         0.7885545      0.7246004 ?              ?         
1 1 1 -13 23 47 o 26.13113 3.013943  0.000000       0.000000  ?              ?         7.049899       1.575155  ?              ?         
1 1 1 -13 23 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 24 1  o 14.25899 0.7761405 2.026617       0.2201649 2.342253       0.3222941 1.750455       0.3014685 2.074048       1.552281  
1 1 1 -13 24 2  o 54.68533 0.7308441 29.86728       0.7981327 28.72571       1.092805  31.17237       1.168449  -2.233158      1.461688  
1 1 1 -13 24 3  o 71.66344 0.8651543 51.12345       1.234535  48.33310       1.654444  54.62909       1.854410  -4.380600      1.730309  
1 1 1 -13 24 4  o 71.42827 0.8642272 51.09574       1.234599  51.11642       1.743483  51.07494       1.748501  0.2934265E-01  1.728454  
1 1 1 -13 24 5  o 16.32949 0.7745473 2.679027       0.2496386 3.252306       0.3593758 2.144452       0.3470324 3.391526       1.549095  
1 1 1 -13 24 6  o 31.93354 0.6371949 10.17270       0.4062898 9.501184       0.5571283 10.93548       0.5937826 -2.244116      1.274390  
1 1 1 -13 24 7  o 41.93728 0.6559150 17.52441       0.5488230 18.76745       0.8110955 16.47466       0.7453693 2.730568       1.311830  
1 1 1 -13 24 8  o 46.32882 0.6793503 21.47085       0.6292881 20.89401       0.8778204 22.08071       0.9025922 -1.279549      1.358701  
1 1 1 -13 24 9  o 51.18755 0.7142223 26.09840       0.7291976 28.04102       1.080910  24.47590       0.9878446 3.477745       1.428445  
1 1 1 -13 24 10 o 52.76636 0.7228053 27.84226       0.7622662 28.63811       1.103410  27.11571       1.054282  1.440094       1.445611  
1 1 1 -13 24 11 o 68.47440 0.8444402 46.95266       1.156434  47.14142       1.640789  46.76635       1.630152  0.2732468      1.688880  
1 1 1 -13 24 12 o 13.39917 0.8999571 1.774752       0.2394203 2.001258       0.3665205 1.606165       0.3162067 1.471120       1.799914  
1 1 1 -13 24 13 o 32.31550 0.6505711 10.45053       0.4197890 9.666800       0.5875890 11.26758       0.5999464 -2.476223      1.301142  
1 1 1 -13 24 14 o 48.54876 0.7039368 23.45183       0.6809069 25.20984       1.018713  22.03219       0.9154403 3.267262       1.407874  
1 1 1 -13 24 15 o 124.7147 1.364831  156.0533       3.402301  153.0473       4.715645  159.3171       4.913620  -2.492950      2.729663  
1 1 1 -13 24 16 o 56.38642 0.7582402 31.80043       0.8544039 32.67539       1.238762  31.00652       1.179998  1.476303       1.516480  
1 1 1 -13 24 17 o 59.46294 0.7820740 35.26012       0.9278592 33.30450       1.259983  37.57715       1.371478  -3.585545      1.564148  
1 1 1 -13 24 18 f 38.85793 0.6729348 15.06407       0.5219555 13.87443       0.7164177 16.40992       0.7620025 -3.259949      1.345870  
1 1 1 -13 24 19 o 48.13692 0.7127857 23.19128       0.6860650 22.52030       0.9604186 23.89043       0.9803741 -1.421932      1.425571  
1 1 1 -13 24 20 o 79.75546 0.9474005 63.72705       1.510702  64.73290       2.170489  62.78191       2.103975  1.217476       1.894801  
1 1 1 -13 24 21 o 92.28958 1.143549  85.45982       2.089401  85.53546       3.190051  85.40300       2.765033  0.2627563E-01  2.287098  
1 1 1 -13 24 22 o 13.73165 1.224817  1.897564       0.3328049 1.864822       0.5066774 1.922409       0.4413673 -0.2175894     2.449635  
1 1 1 -13 24 23 o 101.8358 1.605455  104.4716       3.269254  105.2274       4.675212  103.7484       4.573318  0.7092819      3.210910  
1 1 1 -13 24 24 f 98.84921 1.430641  98.62945       2.798627  100.6887       3.721168  95.94800       4.246338  2.476448       2.861281  
1 1 1 -13 24 25 f 36.59367 0.6934965 13.41175       0.5074593 13.10277       0.7170405 13.72178       0.7182727 -0.8457031     1.386993  
1 1 1 -13 24 26 o 10.05202 1.383158  0.9548106      0.2762566 1.869932       0.4443162 0.3780937      0.3527233 7.187890       2.766316  
1 1 1 -13 24 27 o 26.76850 0.7411086 7.192995       0.3959547 6.843352       0.5688173 7.521688       0.5515127 -1.268539      1.482217  
1 1 1 -13 24 28 o 99.87305 1.136703  100.1298       2.269392  102.0570       3.272026  98.34334       3.150247  1.842293       2.273407  
1 1 1 -13 24 29 o 24.06268 0.7832306 5.722110       0.3738000 6.439932       0.5758148 5.199274       0.4914245 2.569498       1.566461  
1 1 1 -13 24 30 o 54.89410 0.7799538 30.20273       0.8561896 29.56802       1.207595  30.84431       1.214101  -1.161823      1.559908  
1 1 1 -13 24 31 o 27.56605 0.7750261 7.644840       0.4239828 7.368449       0.6340137 7.868429       0.5702471 -0.9135723     1.550052  
1 1 1 -13 24 32 o 23.58895 0.8195536 5.612435       0.3833227 5.285854       0.5710698 5.880239       0.5171346 -1.266026      1.639107  
1 1 1 -13 24 33 f 42.45792 0.7303677 17.92944       0.6169081 19.36516       0.9326802 16.81278       0.8225422 2.994053       1.460735  
1 1 1 -13 24 34 o 10.58903 1.535493  1.256267       0.3158767 0.6677845      0.4832681 1.695212       0.4173750 -4.792130      3.070987  
1 1 1 -13 24 35 o 36.00939 0.7435881 13.01900       0.5340166 12.69899       0.7795542 13.30194       0.7330192 -0.8426666     1.487176  
1 1 1 -13 24 36 o 19.59470 0.9569182 3.867239       0.3695594 3.791930       0.5705425 3.921674       0.4850709 -0.3450108     1.913836  
1 1 1 -13 24 37 o 46.11029 0.7708701 21.26093       0.7092727 19.34672       0.9765249 23.39836       1.031889  -4.385914      1.541740  
1 1 1 -13 24 38 o 13.79814 1.274779  1.927190       0.3454659 1.876607       0.5383636 1.962599       0.4504361 -0.3313551     2.549559  
1 1 1 -13 24 39 f 21.21196 0.9550504 4.479290       0.3980949 4.738964       0.6317319 4.308251       0.5127039 0.9942417      1.910101  
1 1 1 -13 24 40 o 38.52659 0.7854402 14.79794       0.6007894 15.65893       0.9162573 14.14857       0.7957242 1.941471       1.570880  
1 1 1 -13 24 41 o 36.12106 0.7968158 12.97141       0.5703499 13.97327       0.8797383 12.24499       0.7491100 2.371269       1.593632  
1 1 1 -13 24 42 o 67.55150 0.9062574 45.87407       1.224107  44.72342       1.730077  47.02756       1.732221  -1.705032      1.812515  
1 1 1 -13 24 43 o 7.770305 1.956807  0.5293091      0.3771016 0.5769570      0.6033282 0.4987599      0.4830942 0.6869345      3.913614  
1 1 1 -13 24 44 o 24.51265 1.179363  6.078899       0.5766573 5.716330       0.8281622 6.420138       0.8034331 -1.442318      2.358726  
1 1 1 -13 24 45 o 20.98654 1.459046  4.413498       0.5977191 4.727475       0.9696951 4.221104       0.7590721 1.130053       2.918091  
1 1 1 -13 24 46 f 10.59999 2.131849  1.240543       0.5134096 0.4455648      0.8377173 1.718766       0.6497327 -4.263328      4.263698  
1 1 1 -13 24 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 25 1  o 35.34071 0.6364123 12.45765       0.4490245 11.70362       0.6137401 13.32611       0.6586713 -2.293095      1.272825  
1 1 1 -13 25 2  o 90.77475 1.038397  81.85184       1.872071  76.58641       2.477161  88.86391       2.858646  -6.729485      2.076794  
1 1 1 -13 25 3  o 24.34732 0.6572047 5.936009       0.3199074 6.083737       0.4506934 5.786000       0.4541615 0.6116276      1.314409  
1 1 1 -13 25 4  o 71.09052 0.8683168 50.61733       1.234424  51.27559       1.763071  49.98433       1.728910  0.9057312      1.736634  
1 1 1 -13 25 5  f 33.94273 0.6536174 11.50781       0.4430335 12.44007       0.6418511 10.65946       0.6122823 2.621361       1.307235  
1 1 1 -13 25 6  o 50.69240 0.7180074 25.70120       0.7275419 26.56163       1.050483  24.90801       1.008595  1.628540       1.436015  
1 1 1 -13 25 7  o 50.02123 0.7153760 25.05227       0.7156489 25.26873       1.010767  24.83468       1.013399  0.4340210      1.430752  
1 1 1 -13 25 8  o 38.05114 0.6488388 14.46948       0.4931658 14.94910       0.7194850 14.04444       0.6773079 1.186470       1.297678  
1 1 1 -13 25 9  o 25.53669 0.6515497 6.518688       0.3319971 6.655561       0.4885261 6.401225       0.4525632 0.4960232      1.303099  
1 1 1 -13 25 10 o 12.26825 0.9582571 1.506647       0.2330550 1.521441       0.3546438 1.495401       0.3091908 0.1024656      1.916514  
1 1 1 -13 25 11 o 31.50164 0.6616433 9.815534       0.4130459 8.136755       0.5543815 11.91022       0.6192586 -5.985687      1.323287  
1 1 1 -13 25 12 o 87.97255 1.018301  77.58715       1.791637  77.54317       2.528575  77.63148       2.538971  -0.4927063E-01 2.036601  
1 1 1 -13 25 13 o 86.72632 1.005278  75.39751       1.743595  75.94734       2.480872  74.86082       2.451030  0.6237717      2.010556  
1 1 1 -13 25 14 o 56.84816 0.7617674 32.34512       0.8657697 33.05468       1.245653  31.68204       1.204167  1.204456       1.523535  
1 1 1 -13 25 15 o 78.31125 0.9326336 61.44820       1.460424  60.62227       2.040761  62.31517       2.090854  -1.076561      1.865267  
1 1 1 -13 25 16 o 56.32166 0.7619652 31.51299       0.8543168 29.15372       1.142857  34.50109       1.286174  -4.736729      1.523930  
1 1 1 -13 25 17 o 65.66374 0.8320167 43.19913       1.092635  42.74779       1.539936  43.65673       1.550556  -0.6912460     1.664033  
1 1 1 -13 25 18 o 56.96365 0.9206842 32.15950       0.9935073 33.66963       1.723117  31.40748       1.215978  1.938202       1.841368  
1 1 1 -13 25 19 f 83.32093 1.348652  69.79629       2.247276  69.78422       3.196027  69.80809       3.160527  -0.1931763E-01 2.697305  
1 1 1 -13 25 20 o 51.40452 0.9818978 26.44330       1.006733  27.23519       1.488198  25.77515       1.366985  1.407616       1.963796  
1 1 1 -13 25 21 o 42.68653 0.7992795 18.44898       0.6708032 19.46356       0.8862494 17.08805       1.026432  2.794434       1.598559  
1 1 1 -13 25 22 o 68.37025 0.8608388 46.79689       1.175975  48.08346       1.708957  45.63977       1.620709  1.778671       1.721678  
1 1 1 -13 25 23 o 20.49072 0.8122509 4.224551       0.3298346 4.073838       0.4963803 4.343708       0.4413645 -0.6636410     1.624502  
1 1 1 -13 25 24 o 17.85004 0.9105776 3.269251       0.3174721 2.602512       0.4657175 3.848039       0.4339145 -3.492241      1.821155  
1 1 1 -13 25 25 o 47.89794 0.7376177 22.81449       0.7034438 24.80283       1.057844  21.23824       0.9418651 3.710403       1.475235  
1 1 1 -13 25 26 o 38.98457 0.7072734 15.23446       0.5508805 14.40527       0.7778459 16.06886       0.7802851 -2.133427      1.414547  
1 1 1 -13 25 27 o 17.33027 0.9650011 3.098490       0.3249213 2.384672       0.4770676 3.716100       0.4437551 -3.845519      1.930002  
1 1 1 -13 25 28 o 37.61076 0.7156203 14.17887       0.5378505 14.03227       0.7743934 14.31549       0.7475857 -0.3791122     1.431241  
1 1 1 -13 25 29 o 88.22520 1.038731  78.05120       1.831055  75.68229       2.522394  80.69012       2.662269  -2.817963      2.077461  
1 1 1 -13 25 30 f 31.02914 1.178109  9.669868       0.7296382 8.840693       1.013300  10.56272       1.051487  -2.768360      2.356218  
1 1 1 -13 25 31 f 43.60699 0.7374598 19.06362       0.6429237 18.46739       0.9095731 19.65896       0.9088899 -1.366333      1.474920  
1 1 1 -13 25 32 o 22.18696 0.8593722 4.879112       0.3781140 5.385196       0.5825545 4.510706       0.4970374 1.959560       1.718744  
1 1 1 -13 25 33 o 36.11069 0.7438018 13.09922       0.5356299 12.67851       0.7803069 13.47409       0.7365736 -1.106915      1.487604  
1 1 1 -13 25 34 o 33.30205 0.7632113 11.17390       0.5056134 9.967217       0.7212570 12.33989       0.7089915 -3.563976      1.526423  
1 1 1 -13 25 35 o 66.69493 0.8740163 44.65322       1.165696  44.54502       1.660943  44.75825       1.636417  -0.1636353     1.748033  
1 1 1 -13 25 36 o 7.519792 1.790955  0.5291518      0.3141683 0.5980061      0.4975555 0.4834976      0.4051495 0.7771831      3.581910  
1 1 1 -13 25 37 o 34.67387 0.7736700 12.10436       0.5331962 11.62441       0.7903989 12.50517       0.7223006 -1.279884      1.547340  
1 1 1 -13 25 38 o 21.09461 0.9567282 4.446294       0.4003829 4.672714       0.6121591 4.277026       0.5292914 0.9221992      1.913456  
1 1 1 -13 25 39 o 37.79568 0.7905759 14.39881       0.5945417 12.85717       0.8471112 15.89541       0.8346454 -4.021282      1.581152  
1 1 1 -13 25 40 o 21.08454 0.9949943 4.297680       0.4102832 5.365547       0.6718053 3.662475       0.5181334 4.004522       1.989989  
1 1 1 -13 25 41 o 35.84447 0.8075923 12.95659       0.5756093 12.27821       0.8473722 13.53781       0.7843451 -1.768215      1.615185  
1 1 1 -13 25 42 o 19.53927 1.158665  3.841197       0.4517791 3.711904       0.6148837 3.992878       0.6659971 -0.7054081     2.317330  
1 1 1 -13 25 43 f 13.62830 1.930650  1.812858       0.5084146 2.690069       0.8372834 1.300503       0.6398901 5.172927       3.861300  
1 1 1 -13 25 44 o 31.47620 1.161876  10.05118       0.7194952 9.709515       1.112508  10.29683       0.9433318 -0.9813843     2.323751  
1 1 1 -13 25 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 26 1  o 48.88722 0.7057948 23.93434       0.6900749 24.12513       0.9770238 23.74442       0.9748067 0.3892212      1.411590  
1 1 1 -13 26 2  o 39.70407 0.6585385 15.74719       0.5222446 15.07525       0.7164500 16.50900       0.7628641 -1.802406      1.317077  
1 1 1 -13 26 3  o 21.17854 0.6903945 4.489769       0.2923754 4.592863       0.4182168 4.391218       0.4089030 0.4754028      1.380789  
1 1 1 -13 26 4  o 41.60781 0.6720193 17.31898       0.5589737 17.94611       0.8044786 16.73359       0.7772411 1.455223       1.344039  
1 1 1 -13 26 5  o 40.82200 0.6688043 16.64708       0.5453592 15.90155       0.7489011 17.48877       0.7957368 -1.940903      1.337609  
1 1 1 -13 26 6  o 28.20967 0.6630213 7.952427       0.3734640 8.621415       0.5402329 7.340077       0.5168580 2.269527       1.326043  
1 1 1 -13 26 7  o 62.47651 0.8029396 39.09482       1.003068  38.63706       1.400727  39.57665       1.437076  -0.7489853     1.605879  
1 1 1 -13 26 8  o 66.10896 0.8310091 43.78511       1.098656  44.25885       1.565874  43.32579       1.541872  0.7036667      1.662018  
1 1 1 -13 26 9  o 27.83959 0.6500719 7.728217       0.3611336 8.242071       0.5330769 7.292351       0.4909590 1.702887       1.300144  
1 1 1 -13 26 10 o 60.49883 0.7863487 36.25734       0.9445828 40.05239       1.445913  33.43190       1.247603  5.455456       1.572697  
1 1 1 -13 26 11 o 95.48383 1.090698  91.40788       2.081309  89.48386       2.877192  93.51985       3.014434  -2.097878      2.181396  
1 1 1 -13 26 12 o 56.19577 0.7648314 31.59918       0.8590595 30.66423       1.189240  32.61939       1.242282  -1.735352      1.529663  
1 1 1 -13 26 13 f 83.39990 0.9801148 69.65343       1.633140  71.87793       2.376123  67.66170       2.248383  2.514572       1.960230  
1 1 1 -13 26 14 o 27.80542 0.7640994 7.551758       0.4067341 8.400570       0.6984089 7.116130       0.5003359 2.293747       1.528199  
1 1 1 -13 26 15 o 66.52274 1.127962  43.91184       1.487426  48.17360       2.295113  40.82558       1.953108  5.481647       2.255924  
1 1 1 -13 26 16 f 16.68007 1.156000  3.009070       0.3474916 1.562150       0.4984595 4.377124       0.4846846 -8.439700      2.311999  
1 1 1 -13 26 17 o 60.71751 0.9472627 35.85028       1.078698  33.90815       1.298814  40.16848       1.936687  -5.088127      1.894525  
1 1 1 -13 26 18 o 36.87891 0.6876404 13.62901       0.5068952 13.30042       0.7232823 13.94619       0.7106022 -0.8765297     1.375281  
1 1 1 -13 26 19 o 30.48678 0.7087768 9.165759       0.4257321 7.178232       0.5677959 11.71800       0.6434235 -7.439222      1.417554  
1 1 1 -13 26 20 o 66.54137 0.8454658 44.36457       1.124736  45.11803       1.617867  43.65979       1.564699  1.090294       1.690932  
1 1 1 -13 26 21 o 10.00383 1.369955  0.9759018      0.2650777 1.456622       0.4223560 0.6634813      0.3404882 4.065108       2.739910  
1 1 1 -13 26 22 o 65.99667 0.8432813 43.66851       1.112980  43.67693       1.584456  43.66030       1.563731  0.1033783E-01  1.686563  
1 1 1 -13 26 23 f 14.52472 1.022867  2.090780       0.2945635 2.322446       0.4544716 1.922958       0.3868114 1.365996       2.045735  
1 1 1 -13 26 24 f 31.68933 0.7025958 9.984818       0.4432184 10.84870       0.6674092 9.303258       0.5928118 2.431324       1.405192  
1 1 1 -13 26 25 o 26.97079 0.7465827 7.324455       0.4001963 6.413392       0.5680475 8.222266       0.5639012 -3.353817      1.493165  
1 1 1 -13 26 26 o 38.72970 0.7152202 14.76697       0.5485192 16.97555       0.8520170 13.20366       0.7168283 4.855927       1.430440  
1 1 1 -13 26 27 o 56.27100 0.7888318 31.68105       0.8864751 32.89063       1.296839  30.62013       1.214535  2.008041       1.577664  
1 1 1 -13 26 28 o 22.88407 0.8583033 5.346854       0.3815001 3.873686       0.5377057 6.840103       0.5413581 -6.480957      1.716607  
1 1 1 -13 26 29 o 22.72651 0.8980024 5.183704       0.4080476 5.227034       0.5715646 5.138665       0.5827302 0.1959343      1.796005  
1 1 1 -13 26 30 o 25.81546 0.7934617 6.726318       0.4070008 6.137545       0.5924029 7.252680       0.5601245 -2.163948      1.586923  
1 1 1 -13 26 31 o 52.71324 0.7818071 27.87226       0.8241490 27.47759       1.167234  28.26463       1.163819  -0.7469940     1.563614  
1 1 1 -13 26 32 o 16.77593 1.078961  2.944732       0.3475514 2.225875       0.5247261 3.506587       0.4638991 -3.828274      2.157923  
1 1 1 -13 26 33 o 60.03708 0.8269819 35.96964       0.9888963 38.27878       1.482155  34.11698       1.327597  3.443420       1.653964  
1 1 1 -13 26 34 o 24.86156 0.8329799 6.238532       0.4102711 5.912506       0.6148040 6.500275       0.5508687 -1.191704      1.665960  
1 1 1 -13 26 35 o 35.44888 0.7633137 12.42826       0.5368044 14.04553       0.8257241 11.24442       0.7064632 3.933430       1.526627  
1 1 1 -13 26 36 o 23.31943 0.8923583 5.421864       0.4116726 5.728472       0.6376251 5.202699       0.5390877 1.109819       1.784717  
1 1 1 -13 26 37 o 28.27844 0.8217793 7.863575       0.4590007 9.095780       0.7220042 7.027787       0.5946295 3.634758       1.643559  
1 1 1 -13 26 38 o 68.05877 0.9010250 46.47227       1.225324  44.33163       1.691049  48.83858       1.777955  -3.293564      1.802050  
1 1 1 -13 26 39 f 61.81572 0.8601902 38.19471       1.059013  40.42486       1.587130  36.40495       1.421813  3.220139       1.720380  
1 1 1 -13 26 40 o 12.80600 1.647359  1.702639       0.4114209 1.510598       0.5823056 1.894063       0.5813698 -1.712451      3.294718  
1 1 1 -13 26 41 o 42.39717 1.080399  18.14809       0.9114357 17.83934       1.352793  18.40476       1.233395  -0.6984596     2.160798  
1 1 1 -13 26 42 o 24.77871 1.311973  6.398658       0.6281385 5.315697       0.9706687 7.178898       0.8239086 -3.806387      2.623947  
1 1 1 -13 26 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 27 1  o 65.66335 0.8299047 43.16808       1.089232  44.57235       1.574079  41.87785       1.508806  2.045433       1.659809  
1 1 1 -13 27 2  o 58.73218 1.027829  35.69752       1.122837  37.83331       1.381078  31.53318       1.928468  5.426449       2.055659  
1 1 1 -13 27 3  o 87.38004 1.502858  76.91364       2.626345  77.50108       3.715657  76.32711       3.712771  0.6712646      3.005717  
1 1 1 -13 27 4  o 65.87016 1.273240  43.59276       1.676840  45.10819       2.400910  42.14958       2.342970  2.237350       2.546479  
1 1 1 -13 27 5  o 53.52222 0.9763840 27.95789       0.9346117 30.47247       1.814320  27.04959       1.090420  3.118336       1.952768  
1 1 1 -13 27 6  o 91.95102 1.058492  84.75791       1.944703  82.76193       2.680460  86.97610       2.825736  -2.273964      2.116984  
1 1 1 -13 27 7  o 32.13807 0.6740563 10.31925       0.4325601 11.17552       0.6275340 9.544096       0.5970673 2.535803       1.348113  
1 1 1 -13 27 8  f 71.80586 0.8836992 51.68697       1.269000  51.32823       1.781571  52.05643       1.807995  -0.5043869     1.767398  
1 1 1 -13 27 9  o 29.46502 0.6745306 8.608329       0.3937565 7.090169       0.5310159 10.46270       0.5868766 -5.718603      1.349061  
1 1 1 -13 27 10 f 60.72837 0.9441894 35.93221       1.069386  39.89006       1.937234  34.19758       1.282495  4.615311       1.888379  
1 1 1 -13 27 11 o 16.14675 1.041373  2.774402       0.3106700 1.598272       0.4460561 3.882407       0.4329446 -7.074533      2.082747  
1 1 1 -13 27 12 o 53.33956 0.9736075 28.36875       1.033514  30.22392       1.557285  26.90845       1.381645  3.087509       1.947215  
1 1 1 -13 27 13 o 42.74416 0.7903785 17.71707       0.6497335 16.30379       0.8011523 20.43277       1.110564  -4.800320      1.580757  
1 1 1 -13 27 14 o 50.34389 0.7310570 25.38159       0.7358714 25.81208       1.056277  24.97563       1.025753  0.8279915      1.462114  
1 1 1 -13 27 15 o 27.46339 0.6977159 7.488819       0.3815341 8.366609       0.5720566 6.785506       0.5120569 2.873323       1.395432  
1 1 1 -13 27 16 o 13.97142 1.042078  2.079790       0.2718664 1.293755       0.3988564 2.761877       0.3715487 -5.257419      2.084156  
1 1 1 -13 27 17 o 40.81347 0.6999658 16.65227       0.5707040 15.65389       0.7879172 17.75414       0.8277499 -2.569347      1.399932  
1 1 1 -13 27 18 o 77.02197 0.9338219 59.33454       1.435412  56.85459       1.953666  62.24373       2.115996  -3.478271      1.867644  
1 1 1 -13 27 19 o 67.07899 0.8536050 45.08583       1.144511  46.10810       1.653139  44.14478       1.586106  1.455711       1.707210  
1 1 1 -13 27 20 o 41.62942 0.7086198 17.31168       0.5888585 15.91362       0.8102680 18.87662       0.8572611 -3.554253      1.417240  
1 1 1 -13 27 21 o 75.42457 0.9244584 57.07101       1.394426  57.57339       1.987385  56.58388       1.956998  0.6520996      1.848917  
1 1 1 -13 27 22 o 23.08989 0.7923436 5.362569       0.3642723 4.798491       0.5166157 5.920328       0.5137144 -2.429604      1.584687  
1 1 1 -13 27 23 o 73.87967 0.9116668 54.69785       1.345868  56.36836       1.954294  53.19086       1.856182  2.137497       1.823334  
1 1 1 -13 27 24 o 17.00071 0.9551192 2.849905       0.3200052 3.641531       0.4861287 2.244570       0.4250982 4.100081       1.910238  
1 1 1 -13 27 25 o 19.49150 0.8648184 3.776539       0.3328627 4.021412       0.5199732 3.606518       0.4332756 1.053181       1.729637  
1 1 1 -13 27 26 o 55.24375 0.7895195 30.60334       0.8722779 30.25998       1.233719  30.94655       1.233455  -0.6214333     1.579039  
1 1 1 -13 27 27 o 40.73419 0.7398145 16.64481       0.6023272 16.28343       0.8612814 16.99072       0.8426624 -0.8704491     1.479629  
1 1 1 -13 27 28 o 45.58643 0.7452687 20.76158       0.6776891 21.85422       1.003638  19.84592       0.9187697 2.191750       1.490537  
1 1 1 -13 27 29 f 34.38638 0.7428551 11.84595       0.5098450 12.02043       0.7475628 11.69422       0.6971352 0.4677315      1.485710  
1 1 1 -13 27 30 o 82.49191 0.9971875 68.38636       1.645153  68.50676       2.336118  68.26791       2.317193  0.1414337      1.994375  
1 1 1 -13 27 31 o 43.24947 0.7474032 18.69913       0.6446210 19.50261       0.9558484 18.02884       0.8730335 1.692638       1.494806  
1 1 1 -13 27 32 o 25.28723 0.8292167 6.399713       0.4154484 6.548525       0.6355751 6.288697       0.5489610 0.5002079      1.658433  
1 1 1 -13 27 33 o 43.44269 0.7586808 18.84128       0.6565394 19.92355       0.9827121 17.96878       0.8823491 2.234753       1.517362  
1 1 1 -13 27 34 o 14.23373 1.195836  1.943565       0.3319549 2.643183       0.5401610 1.518992       0.4207930 3.920376       2.391673  
1 1 1 -13 27 35 o 54.89068 0.8136169 30.24853       0.8925802 30.36130       1.287574  30.14421       1.238456  0.1890526      1.627234  
1 1 1 -13 27 36 o 30.47263 0.8192311 9.393670       0.4952479 8.611913       0.7283682 10.06586       0.6753998 -2.395235      1.638462  
1 1 1 -13 27 37 f 19.79158 1.031978  3.787270       0.4002431 4.969006       0.6420276 3.036063       0.5118859 4.853333       2.063956  
1 1 1 -13 27 38 o 42.72299 0.9203100 18.52461       0.7785395 20.05525       1.059440  16.72765       1.147917  3.913242       1.840620  
1 1 1 -13 27 39 o 9.383540 1.956660  0.9184172      0.4558114 0.1289094E-01  0.7405139 1.470788       0.5783599 -4.784829      3.913320  
1 1 1 -13 27 40 o 24.10688 1.249041  6.017710       0.5872677 4.816434       0.8674178 7.034321       0.7979662 -4.621031      2.498081  
1 1 1 -13 27 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 28 1  o 44.63941 0.6972439 19.96053       0.6223503 19.82339       0.8696794 20.10447       0.8909796 -0.3128395     1.394488  
1 1 1 -13 28 2  o 51.10489 0.7309535 26.06471       0.7452751 24.71807       1.011564  27.66354       1.102218  -2.872887      1.461907  
1 1 1 -13 28 3  o 38.23566 0.6795988 14.50046       0.5170957 13.10172       0.6915178 16.27461       0.7788069 -4.141190      1.359198  
1 1 1 -13 28 4  o 50.33778 0.7310918 25.36614       0.7355756 24.74045       1.018622  26.04798       1.063341  -1.294395      1.462184  
1 1 1 -13 28 5  o 28.15468 0.6883404 7.790795       0.3827343 9.779977       0.5839965 6.293174       0.5067267 6.185181       1.376681  
1 1 1 -13 28 6  o 25.20866 0.7761319 6.450963       0.3860832 5.681702       0.5717893 7.095580       0.5234197 -2.809299      1.552264  
1 1 1 -13 28 7  o 34.30133 0.8286208 11.68118       0.5656105 10.36989       0.7594436 13.31451       0.8475827 -4.282558      1.657242  
1 1 1 -13 28 8  f 39.35784 1.212404  15.53345       0.9543521 15.53345       0.9543521 ?              ?         ?              ?         
1 1 1 -13 28 9  o 9.345994 3.368653  0.7523026      0.8072287 0.7523026      0.8072287 ?              ?         ?              ?         
1 1 1 -13 28 10 o 34.19170 1.201962  11.64191       0.8177317 10.26734       1.099517  13.34324       1.223247  -4.477995      2.403924  
1 1 1 -13 28 11 f 32.38470 1.196620  10.54616       0.7749402 10.35564       1.096462  10.73631       1.095400  -0.5878983     2.393239  
1 1 1 -13 28 12 o 39.32656 1.150089  15.49453       0.9029406 14.31909       1.240370  16.81963       1.316971  -3.167248      2.300179  
1 1 1 -13 28 13 o 33.18814 0.9560146 10.88470       0.5446383 11.38336       1.115375  10.72858       0.6241018 0.9245224      1.912029  
1 1 1 -13 28 14 o 56.90386 0.7835765 32.19421       0.8875166 29.84602       1.186369  35.17851       1.337443  -4.669334      1.567153  
1 1 1 -13 28 15 o 39.37088 0.6958496 15.52845       0.5475127 14.72739       0.7685870 16.35377       0.7801419 -2.064350      1.391699  
1 1 1 -13 28 16 o 59.25234 0.7976463 34.88173       0.9401749 32.26235       1.252724  38.25986       1.422642  -5.041950      1.595293  
1 1 1 -13 28 17 o 11.59433 1.230814  1.411189       0.2698844 1.133832       0.4046455 1.633433       0.3622176 -2.320454      2.461629  
1 1 1 -13 28 18 o 13.36381 1.048756  1.757151       0.2771253 2.051967       0.4334969 1.553397       0.3603826 1.854203       2.097512  
1 1 1 -13 28 19 o 24.37658 0.7639075 5.982421       0.3684674 4.926223       0.5156823 7.084128       0.5266746 -4.424971      1.527815  
1 1 1 -13 28 20 o 34.30184 0.7035787 11.79523       0.4821594 11.11566       0.6793590 12.48496       0.6844220 -1.995438      1.407157  
1 1 1 -13 28 21 o 15.73670 0.9697292 2.463398       0.3031875 2.681765       0.4621650 2.298425       0.4017073 1.209129       1.939458  
1 1 1 -13 28 22 o 27.84497 0.7392712 7.763181       0.4095371 7.859976       0.6130668 7.685178       0.5503430 0.3065701      1.478542  
1 1 1 -13 28 23 o 54.52470 0.7766742 29.80100       0.8465734 30.20797       1.218909  29.42174       1.176679  0.7155571      1.553348  
1 1 1 -13 28 24 o 10.71669 1.426251  1.156151       0.2951767 1.684865       0.4502333 0.7575862      0.3909101 4.431461       2.852502  
1 1 1 -13 28 25 o 62.30983 0.8334175 38.92933       1.037824  39.69471       1.502450  38.23087       1.435263  1.164795       1.666835  
1 1 1 -13 28 26 o 24.89728 1.326780  6.255002       0.6603464 6.321254       0.9226734 6.185431       0.9454862 0.2780991      2.653561  
1 1 1 -13 28 27 o 10.55430 1.558604  1.131844       0.3139465 1.393140       0.5008619 0.9627444      0.4029243 1.970289       3.117207  
1 1 1 -13 28 28 o 7.923568 1.731489  0.6459044      0.3045203 0.4800712      0.4893346 0.7507203      0.3890306 -1.074956      3.462977  
1 1 1 -13 28 29 o 62.85326 0.8521853 39.59549       1.070364  37.98388       1.478174  41.37202       1.551967  -2.683308      1.704371  
1 1 1 -13 28 30 o 71.51910 0.9166446 51.19769       1.307509  53.89057       1.938602  48.95045       1.770945  3.423248       1.833289  
1 1 1 -13 28 31 o 37.04427 0.7653520 13.78966       0.5658069 13.38975       0.8204917 14.15227       0.7812904 -1.035210      1.530704  
1 1 1 -13 28 32 o 35.84249 0.7654208 12.64653       0.5426837 14.61339       0.8475044 11.27959       0.7065284 4.627472       1.530842  
1 1 1 -13 28 33 o 34.72215 0.7773721 12.08222       0.5369977 12.29363       0.8047800 11.91255       0.7209720 0.5342178      1.554744  
1 1 1 -13 28 34 o 59.19650 0.8431489 35.11181       0.9959480 36.41176       1.468513  34.00463       1.355260  2.012085       1.686298  
1 1 1 -13 28 35 o 42.08385 0.8376485 17.45701       0.6886221 19.30684       1.121621  16.33791       0.8723990 3.479679       1.675297  
1 1 1 -13 28 36 o 36.73693 1.041376  13.56395       0.7606765 13.88100       1.144732  13.31325       1.017918  0.7410049      2.082752  
1 1 1 -13 28 37 o 30.80290 1.080954  9.468737       0.6601909 10.29761       1.016703  8.864442       0.8681082 2.285772       2.161909  
1 1 1 -13 28 38 o 20.66100 1.344711  4.331055       0.5471932 4.268438       0.8476287 4.375795       0.7164921 -0.3026123     2.689422  
1 1 1 -13 28 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 29 1  o 39.81319 0.6894207 15.87684       0.5488696 16.23407       0.7842773 15.53392       0.7684039 0.8776970      1.378841  
1 1 1 -13 29 2  o 66.17834 1.108086  43.55694       1.456099  40.38532       1.924052  47.80827       2.227607  -5.559097      2.216172  
1 1 1 -13 29 3  o 22.07703 0.8222065 4.887784       0.3629520 4.751431       0.5119293 5.025597       0.5146649 -0.6206017     1.644413  
1 1 1 -13 29 4  o 63.20643 1.077816  39.90513       1.357367  37.53421       1.825352  42.83792       2.030152  -4.163334      2.155632  
1 1 1 -13 29 5  o 56.86749 0.9030637 32.06625       0.9844919 31.15179       1.220232  33.77155       1.666329  -2.245022      1.806127  
1 1 1 -13 29 6  f 31.15867 0.6903784 9.631362       0.4280711 10.94539       0.6423883 8.581800       0.5741163 3.785955       1.380757  
1 1 1 -13 29 7  o 45.71785 0.7136567 20.89103       0.6516687 19.84508       0.8943537 22.07489       0.9514958 -2.432720      1.427313  
1 1 1 -13 29 8  o 26.11730 0.7099376 6.824299       0.3702170 6.290051       0.5133645 7.403228       0.5344008 -2.128935      1.419875  
1 1 1 -13 29 9  o 67.50298 0.8545203 45.69201       1.153460  45.06935       1.613265  46.34320       1.649826  -0.9389877     1.709041  
1 1 1 -13 29 10 o 31.61980 0.6795691 10.01086       0.4292348 9.340899       0.5991794 10.71712       0.6151968 -2.174612      1.359138  
1 1 1 -13 29 11 o 44.72363 0.7070934 19.86781       0.6292574 21.81111       0.9503379 18.35063       0.8397045 3.857265       1.414187  
1 1 1 -13 29 12 o 40.36883 0.6960577 16.30995       0.5616332 15.60320       0.7797852 17.07177       0.8095915 -1.815891      1.392115  
1 1 1 -13 29 13 f 15.65361 0.9402469 2.551775       0.2826234 1.818688       0.4132960 3.195688       0.3873446 -4.401819      1.880494  
1 1 1 -13 29 14 o 11.46687 1.169947  1.329603       0.2630243 1.285323       0.4113473 1.360230       0.3420981 -0.3387012     2.339895  
1 1 1 -13 29 15 o 76.01763 0.9297685 57.91189       1.412180  56.01036       1.944948  60.03209       2.053738  -2.629730      1.859537  
1 1 1 -13 29 16 o 40.43858 0.7064915 16.36141       0.5705643 16.88341       0.8341746 15.90251       0.7821363 1.207016       1.412983  
1 1 1 -13 29 17 o 46.23471 0.7278587 21.35462       0.6718543 19.87022       0.9205906 23.04622       0.9827426 -3.427254      1.455717  
1 1 1 -13 29 18 o 13.35453 1.690286  1.790492       0.3860828 1.736707       0.4460420 1.951176       0.7709637 -0.4424992     3.380572  
1 1 1 -13 29 19 f 56.84473 1.036325  32.17408       1.069853  31.75265       1.266520  33.22385       1.998934  -1.165104      2.072649  
1 1 1 -13 29 20 o 50.22054 1.181700  25.27385       1.183800  23.70705       1.604950  27.14335       1.753139  -3.390434      2.363399  
1 1 1 -13 29 21 o 29.04157 1.248899  8.512410       0.7241011 9.037079       1.019601  7.978518       1.028525  1.824451       2.497797  
1 1 1 -13 29 22 o 35.71451 1.193604  12.82773       0.8519167 12.18897       1.181193  13.52022       1.229864  -1.853489      2.387208  
1 1 1 -13 29 23 f 28.45123 1.287657  8.156511       0.7324015 7.845731       1.021640  8.485104       1.050508  -1.117010      2.575315  
1 1 1 -13 29 24 o 33.37295 1.226458  11.23305       0.8175390 10.57050       1.155798  11.89647       1.156552  -1.986435      2.452916  
1 1 1 -13 29 25 o 67.78679 1.326256  46.15831       1.792221  43.73872       2.418737  49.10417       2.668849  -3.894936      2.652512  
1 1 1 -13 29 26 o 16.41895 1.901725  2.721504       0.5996165 3.579640       0.9244099 2.098194       0.7878405 4.687516       3.803449  
1 1 1 -13 29 27 o 43.39428 1.186839  18.71054       1.022582  16.61782       1.352846  21.49990       1.561871  -5.575771      2.373678  
1 1 1 -13 29 28 o 15.97580 1.951829  2.624561       0.6045236 3.200349       0.8988094 2.148936       0.8168994 3.500274       3.903658  
1 1 1 -13 29 29 o 41.89614 1.190432  17.65864       0.9961293 18.81134       1.452767  16.63580       1.368487  2.574394       2.380864  
1 1 1 -13 29 30 o 34.48500 1.228504  12.00096       0.8471209 12.34012       1.210078  11.67499       1.186296  0.9578781      2.457008  
1 1 1 -13 29 31 f 30.84990 1.281062  9.613833       0.7903515 9.447450       1.112350  9.783472       1.123180  -0.5415440     2.562124  
1 1 1 -13 29 32 o 43.53248 1.688560  0.000000       0.000000  ?              ?         19.12497       1.470144  ?              ?         
1 1 1 -13 29 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 29 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 29 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 29 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 30 1  o 4.779344 1.393518  0.6485209E-01  0.2161307 0.1023348      0.3105587 0.2964673E-01  0.3009763 0.3552303      2.787035  
1 1 1 -13 30 2  o 78.37988 0.9504272 61.70343       1.489710  61.55112       2.089539  61.86085       2.124431  -0.1918335     1.900854  
1 1 1 -13 30 3  o 58.31563 0.7920642 33.96275       0.9215920 36.32578       1.361827  31.96623       1.251773  3.722855       1.584128  
1 1 1 -13 30 4  o 30.33513 0.6847160 9.214664       0.4152276 8.909498       0.5770945 9.542232       0.5978989 -1.040459      1.369432  
1 1 1 -13 30 5  o 30.13550 0.6898566 9.098778       0.4156612 8.959523       0.5793744 9.246473       0.5966747 -0.4740562     1.379713  
1 1 1 -13 30 6  o 42.34139 0.7057589 17.90392       0.5964556 16.89771       0.8128304 19.07784       0.8779610 -2.566586      1.411518  
1 1 1 -13 30 7  o 12.04051 1.142655  1.471124       0.2724383 1.252367       0.3893342 1.681013       0.3813613 -1.781565      2.285310  
1 1 1 -13 30 8  f 31.72628 0.6986283 10.04213       0.4421986 11.02372       0.6500428 9.196642       0.6032968 2.873810       1.397257  
1 1 1 -13 30 9  o 25.78909 0.7047641 6.684942       0.3622021 6.413880       0.5285835 6.924876       0.4973083 -0.9945297     1.409528  
1 1 1 -13 30 10 f 63.02401 0.8236078 39.74268       1.036247  41.63461       1.522675  38.11054       1.414271  2.780266       1.647216  
1 1 1 -13 30 11 o 30.65595 0.6913309 9.412790       0.4232473 9.550044       0.6173804 9.291083       0.5813659 0.4180088      1.382662  
1 1 1 -13 30 12 o 28.29052 0.7031851 7.864136       0.3938972 9.350052       0.6094024 6.797856       0.5162295 4.499176       1.406370  
1 1 1 -13 30 13 o 22.22584 0.7650173 4.914131       0.3376697 5.280917       0.5153172 4.638140       0.4470088 1.436802       1.530035  
1 1 1 -13 30 14 o 25.21132 0.7355691 6.356970       0.3692690 6.540669       0.5518602 6.208035       0.4969032 0.6525669      1.471138  
1 1 1 -13 30 15 o 48.49131 0.7395083 23.57545       0.7170167 23.69760       1.026663  23.45916       1.001823  0.2426147      1.479017  
1 1 1 -13 30 16 o 37.71135 0.7086239 14.27042       0.5339576 13.79789       0.7630304 14.72386       0.7474701 -1.229656      1.417248  
1 1 1 -13 30 17 o 78.87669 0.9582758 62.41828       1.510220  64.32297       2.195738  60.70831       2.080467  2.271706       1.916552  
1 1 1 -13 30 18 o 17.33729 0.9090653 2.960750       0.3117694 3.423335       0.4868284 2.639129       0.4059318 2.248369       1.818131  
1 1 1 -13 30 19 o 15.57204 1.005646  2.445216       0.3098490 2.383176       0.4707574 2.492635       0.4115683 -0.3623476     2.011293  
1 1 1 -13 30 20 f 32.49509 0.7253811 10.57266       0.4703194 10.81677       0.6924699 10.36362       0.6407959 0.6902008      1.450762  
1 1 1 -13 30 21 o 15.24849 1.042327  2.292319       0.3142976 2.664416       0.4915351 2.034962       0.4087854 2.047195       2.084654  
1 1 1 -13 30 22 o 30.53234 0.7506557 9.374869       0.4565971 9.053521       0.6692671 9.654669       0.6245056 -0.9911003     1.501311  
1 1 1 -13 30 23 o 25.37653 1.140736  6.076208       0.5162594 5.629417       0.5965968 7.408142       1.030078  -3.406446      2.281471  
1 1 1 -13 30 24 o 53.28293 0.7940158 28.49572       0.8458553 27.51831       1.191719  29.48803       1.200773  -1.846886      1.588032  
1 1 1 -13 30 25 o 36.58236 0.7579949 13.39675       0.5525219 11.85505       0.7623129 15.10299       0.8019620 -4.432686      1.515990  
1 1 1 -13 30 26 o 27.79738 0.7934878 7.803754       0.4383243 6.930845       0.6284487 8.630649       0.6116606 -3.060444      1.586976  
1 1 1 -13 30 27 f 38.62866 0.7596817 14.98254       0.5859351 14.84570       0.8514332 15.10566       0.8075795 -0.3438148     1.519363  
1 1 1 -13 30 28 o 49.75395 0.7874335 24.65173       0.7790980 26.68353       1.180839  23.08543       1.036785  3.590492       1.574867  
1 1 1 -13 30 29 o 7.527802 1.987560  0.4290188      0.3934809 0.5636207      0.6378160 0.3463142      0.4999590 1.281814       3.975120  
1 1 1 -13 30 30 o 15.32584 1.452262  2.289955       0.4363799 2.945511       0.7032272 1.879447       0.5564824 3.426532       2.904523  
1 1 1 -13 30 31 o 12.81443 1.754532  1.740574       0.4274747 1.575973       0.6848716 1.845628       0.5471393 -1.344579      3.509063  
1 1 1 -13 30 32 f 14.06104 1.647935  1.968634       0.4456520 2.413972       0.7266155 1.700097       0.5642377 2.654820       3.295871  
1 1 1 -13 30 33 o 40.56915 1.468386  16.69340       1.003794  16.72852       2.084667  16.68279       1.145310  -0.2700462     2.936771  
1 1 1 -13 30 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 31 1  o 45.24517 0.7641093 20.51499       0.6861205 20.38210       0.9139206 20.68662       1.038643  -0.3188438     1.528219  
1 1 1 -13 31 2  o 31.50724 0.6876099 9.945710       0.4330580 10.42048       0.6199786 9.493363       0.6051631 1.469397       1.375220  
1 1 1 -13 31 3  o 39.34366 0.6980777 15.50621       0.5490769 15.06863       0.7635935 15.97470       0.7901091 -1.148079      1.396155  
1 1 1 -13 31 4  o 31.63546 0.6953764 10.03137       0.4398731 9.958169       0.6146968 10.10818       0.6297243 -0.2351894     1.390753  
1 1 1 -13 31 5  o 19.32930 0.8198302 3.747561       0.3166740 3.963961       0.4527826 3.540351       0.4430647 1.094316       1.639660  
1 1 1 -13 31 6  o 25.24751 0.7472543 6.394996       0.3771179 6.641404       0.5334323 6.148786       0.5332181 0.9755497      1.494509  
1 1 1 -13 31 7  o 53.88611 0.7804924 29.04136       0.8396769 27.69271       1.146646  30.60083       1.233017  -2.686069      1.560985  
1 1 1 -13 31 8  o 26.07937 0.7432809 6.796221       0.3863520 7.643102       0.5635531 6.045218       0.5306947 3.059032       1.486562  
1 1 1 -13 31 9  o 43.61134 0.7151520 18.86950       0.6195488 20.78311       0.9458018 17.43125       0.8199598 3.826256       1.430304  
1 1 1 -13 31 10 o 32.99688 0.6953132 10.89517       0.4579678 11.22715       0.6727691 10.60849       0.6251751 0.9313011      1.390626  
1 1 1 -13 31 11 o 50.69460 0.7503477 25.74464       0.7600178 26.45416       1.104800  25.10722       1.047169  1.320366       1.500695  
1 1 1 -13 31 12 o 48.83260 0.7392346 23.89200       0.7213379 24.46652       1.046721  23.37237       0.9954596 1.113094       1.478469  
1 1 1 -13 31 13 f 25.76440 0.7468984 6.682444       0.3807966 5.495135       0.5317509 7.932269       0.5455704 -4.727682      1.493797  
1 1 1 -13 31 14 o 46.02531 0.7318183 21.22786       0.6730392 21.65395       0.9763665 20.84207       0.9290385 0.8752213      1.463637  
1 1 1 -13 31 15 o 41.78247 0.7233778 17.51665       0.6041673 17.21073       0.8638568 17.80956       0.8452891 -0.7192650     1.446756  
1 1 1 -13 31 16 o 100.5062 1.156103  101.7570       2.323633  100.6217       3.255530  102.9360       3.317575  -1.137024      2.312206  
1 1 1 -13 31 17 o 19.38473 0.8809832 3.705533       0.3372021 4.201129       0.5308246 3.370243       0.4366132 2.126524       1.761966  
1 1 1 -13 31 18 o 53.53117 0.7814658 28.70949       0.8356481 29.67160       1.218554  27.85533       1.148155  1.685303       1.562932  
1 1 1 -13 31 19 o 55.60608 0.7983793 31.03997       0.8878045 30.83276       1.261950  31.24302       1.249237  -0.3710365     1.596759  
1 1 1 -13 31 20 o 30.78651 0.7442058 9.312693       0.4529454 10.88502       0.7091616 8.229312       0.5886602 4.293371       1.488412  
1 1 1 -13 31 21 o 61.20378 1.271922  37.72983       1.553813  36.14678       2.117316  39.57737       2.287369  -2.754211      2.543844  
1 1 1 -13 31 22 o 47.18335 0.7596694 22.34711       0.7166705 21.72772       1.013328  22.96697       1.013722  -1.313160      1.519339  
1 1 1 -13 31 23 o 35.13244 0.7574364 12.42890       0.5303264 11.42581       0.7587693 13.38690       0.7415178 -2.793888      1.514873  
1 1 1 -13 31 24 f 39.30791 0.7542601 15.48728       0.5917197 14.13209       0.8218583 16.94584       0.8526255 -3.573883      1.508520  
1 1 1 -13 31 25 o 26.61779 0.9584482 7.343184       0.4807270 6.441112       0.8028472 7.847380       0.6002219 -2.685337      1.916896  
1 1 1 -13 31 26 o 33.64354 0.9730593 11.45140       0.6509801 10.64507       0.9508169 12.16287       0.8931376 -2.269115      1.946119  
1 1 1 -13 31 27 o 22.36320 1.102940  5.152882       0.4802219 4.471537       0.7393630 5.650049       0.6315758 -2.664234      2.205881  
1 1 1 -13 31 28 o 68.84313 1.221051  47.84814       1.680362  45.90851       2.338353  49.91932       2.416346  -2.889221      2.442102  
1 1 1 -13 31 29 o 22.77043 1.142431  5.261608       0.5103101 5.069903       0.7957639 5.395514       0.6650687 -0.7511368     2.284863  
1 1 1 -13 31 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 32 1  o 63.16465 0.9604419 40.49464       1.187277  42.09346       1.546211  38.19757       1.853338  3.147205       1.920884  
1 1 1 -13 32 2  o 20.77633 1.139423  4.333507       0.4734609 4.333507       0.4734609 ?              ?         ?              ?         
1 1 1 -13 32 3  o 23.84212 2.674572  6.591962       0.9643035 7.016616       1.090342  5.067130       2.066122  4.956526       5.349144  
1 1 1 -13 32 4  o 27.94447 1.541693  7.946945       0.8576033 8.274402       1.173456  7.571522       1.256463  1.284475       3.083386  
1 1 1 -13 32 5  o 30.17871 1.101816  9.561945       0.5503180 8.475878       1.136532  9.894568       0.6289688 -2.460543      2.203631  
1 1 1 -13 32 6  o 24.52158 0.7640519 6.015309       0.3741362 6.437958       0.5466760 5.642935       0.5131326 1.615694       1.528104  
1 1 1 -13 32 7  o 26.92334 0.7497921 7.269854       0.4034115 6.871273       0.5644848 7.685920       0.5767324 -1.510971      1.499584  
1 1 1 -13 32 8  o 30.34293 0.7286478 9.216818       0.4415762 9.919305       0.6397095 8.577449       0.6102947 2.206614       1.457296  
1 1 1 -13 32 9  f 45.93429 0.7332856 21.14649       0.6732845 20.25520       0.9361707 22.10142       0.9690145 -2.004478      1.466571  
1 1 1 -13 32 10 o 34.33245 0.7041253 11.57613       0.4782929 13.70847       0.7444282 10.07708       0.6241685 5.270195       1.408251  
1 1 1 -13 32 11 o 28.87524 0.7144788 8.356312       0.4108911 8.449754       0.6111520 8.279235       0.5550641 0.2864647      1.428958  
1 1 1 -13 32 12 o 28.82873 0.7272763 8.150688       0.4145198 9.759439       0.6468353 7.029597       0.5399700 4.717279       1.454553  
1 1 1 -13 32 13 o 56.62762 0.8033410 32.19877       0.9097950 31.93974       1.287848  32.45685       1.285445  -0.4570236     1.606682  
1 1 1 -13 32 14 f 17.03863 1.036030  3.122746       0.3245451 1.788438       0.4709427 4.329556       0.4478776 -7.461838      2.072061  
1 1 1 -13 32 15 o 24.15709 0.7753596 5.795339       0.3720388 6.385766       0.5682416 5.352362       0.4921981 2.125862       1.550719  
1 1 1 -13 32 16 o 54.11984 0.7837492 29.34795       0.8471789 30.39425       1.237725  28.42571       1.162037  1.805614       1.567498  
1 1 1 -13 32 17 o 64.47293 0.8555120 41.56633       1.099574  44.07537       1.637094  39.50407       1.484190  3.516144       1.711024  
1 1 1 -13 32 18 o 39.94453 0.7458211 15.97845       0.5948253 16.56645       0.8722065 15.46720       0.8132995 1.366100       1.491642  
1 1 1 -13 32 19 o 33.69622 1.060968  10.06585       0.6269778 14.43090       1.321232  8.797212       0.7122855 8.210833       2.121936  
1 1 1 -13 32 20 f 31.81557 0.8324804 10.11075       0.5271266 9.620445       0.7050387 10.73223       0.7937626 -1.729973      1.664961  
1 1 1 -13 32 21 o 19.21242 1.174286  3.903569       0.4295885 2.777133       0.6434355 4.809508       0.5770340 -5.307148      2.348572  
1 1 1 -13 32 22 o 51.48494 1.018003  26.69386       1.045689  26.79410       1.534411  26.60694       1.428878  0.1550293      2.036006  
1 1 1 -13 32 23 o 41.45369 0.9621159 17.33540       0.7957251 16.12266       1.133645  18.51318       1.117186  -2.887352      1.924232  
1 1 1 -13 32 24 f 25.35912 1.001838  6.280238       0.4984899 7.506472       0.8064155 5.521903       0.6341658 3.870258       2.003677  
1 1 1 -13 32 25 o 6.636726 1.849640  0.2680187      0.3529929 0.2241951      0.5845392 0.2931733      0.4428612 0.4109578      3.699279  
1 1 1 -13 32 26 f 9.702400 2.668560  0.000000       0.000000  ?              ?         0.9958159      0.5337420 ?              ?         
1 1 1 -13 33 1  o 57.02918 1.013613  32.73846       1.156014  32.36604       1.622132  33.12280       1.647873  -0.6574173     2.027225  
1 1 1 -13 33 2  o 44.95383 0.8996682 20.29603       0.8084130 20.89196       1.167562  19.74724       1.120431  1.263405       1.799336  
1 1 1 -13 33 3  o 26.88426 0.8391978 7.261014       0.4511935 7.156358       0.6375492 7.366021       0.6386199 -0.3897285     1.678396  
1 1 1 -13 33 4  o 37.72910 0.8608617 14.21664       0.6475886 15.53149       0.9617434 13.12599       0.8759184 3.170872       1.721723  
1 1 1 -13 33 5  o 18.20214 1.003370  3.332712       0.3645379 3.051942       0.5082615 3.630148       0.5231287 -1.584873      2.006740  
1 1 1 -13 33 6  o 27.24635 0.8569536 7.453184       0.4667934 7.710941       0.6708929 7.211306       0.6498987 0.9127560      1.713907  
1 1 1 -13 33 7  o 32.84193 0.8671531 10.81050       0.5688179 11.55350       0.8280494 10.14661       0.7827231 2.132877       1.734306  
1 1 1 -13 33 8  o 37.08290 0.8761969 13.74880       0.6481438 14.93508       0.9583243 12.74870       0.8799146 2.932117       1.752394  
1 1 1 -13 33 9  o 37.32094 0.8529678 13.92558       0.6334774 14.65865       0.9536803 13.34673       0.8474447 1.736637       1.705936  
1 1 1 -13 33 10 o 14.44857 1.773987  2.109255       0.5126316 2.109255       0.5126316 ?              ?         ?              ?         
1 1 1 -13 33 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 33 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 33 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 33 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -13 33 15 o 58.39960 1.480277  0.000000       0.000000  ?              ?         34.36931       1.728952  ?              ?         
1 1 1 -13 33 16 o 35.47852 1.212202  11.52417       0.7163642 14.96230       1.604300  10.66793       0.8006128 5.808891       2.424403  
1 1 1 -13 33 17 o 50.63305 1.367504  0.000000       0.000000  ?              ?         25.80714       1.384818  ?              ?         
1 1 1 -13 33 18 o 59.13083 1.080959  35.09773       1.273114  36.85703       1.905254  33.67849       1.711241  2.636009       2.161917  
1 1 1 -13 33 19 o 71.01894 1.224681  50.69903       1.734595  47.52715       2.347879  54.51079       2.573836  -4.849228      2.449361  
1 1 1 -13 33 20 o 39.80141 0.9439164 15.92317       0.7461287 16.08023       1.126057  15.80024       0.9962054 0.3215790      1.887833  
1 1 1 -13 33 21 f 36.77946 1.306064  0.000000       0.000000  ?              ?         13.60979       0.9607270 ?              ?         
1 1 1 -13 34 1  o 28.20610 0.8207889 7.991547       0.4624633 7.469050       0.6476687 8.535059       0.6605657 -1.887072      1.641578  
1 1 1 -13 34 2  o 38.16927 0.8433718 14.63843       0.6437595 14.38372       0.9041839 14.90027       0.9167734 -0.6740532     1.686744  
1 1 1 -13 34 3  o 8.299618 1.504579  0.7014495      0.2839264 0.1824850      0.4028059 1.213903       0.4002712 -4.980146      3.009157  
1 1 1 -13 34 4  o 39.49211 0.8619627 15.67545       0.6807857 15.47560       0.9591048 15.87839       0.9664904 -0.5083961     1.723925  
1 1 1 -13 34 5  o 32.47228 0.8461894 10.47373       0.5461545 9.125888       0.7309744 12.17700       0.8217239 -4.679296      1.692379  
1 1 1 -13 34 6  o 36.96524 0.8602814 13.72190       0.6356472 13.10256       0.8854324 14.38054       0.9130870 -1.722824      1.720563  
1 1 1 -13 34 7  o 62.16399 1.088440  38.83040       1.350307  37.07543       1.837275  40.89185       1.991250  -3.028675      2.176880  
1 1 1 -13 34 8  o 31.94265 0.8336157 10.24960       0.5302062 10.28235       0.7882345 10.22253       0.7165332 0.7902336E-01  1.667231  
1 1 1 -13 34 9  o 68.60246 1.164501  47.28785       1.593477  44.59254       2.159038  50.51263       2.361594  -4.256859      2.329002  
1 1 1 -13 34 10 o 43.41013 0.8988138 18.96119       0.7797706 18.15244       1.104180  19.76580       1.101350  -1.858894      1.797628  
1 1 1 -13 34 11 o 37.01166 0.8697087 13.79416       0.6422524 12.71533       0.9090502 14.86935       0.9075159 -2.910248      1.739417  
1 1 1 -13 34 12 o 48.85670 0.9691490 23.68332       0.9347638 26.12782       1.468943  22.01980       1.211777  4.141434       1.938298  
1 1 1 -13 34 13 o 9.105320 2.261521  0.000000       0.000000  ?              ?         0.8774116      0.4104961 ?              ?         
1 1 1 -13 34 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 0  1  o 213.0873 3.156448  454.7885       13.43822  457.0330       19.11258  452.5941       18.89828  -0.000000      0.000000  
1 1 1 -12 0  2  o 87.78770 1.386157  77.17239       2.430789  76.21409       3.407107  78.16583       3.469038  -0.000000      0.000000  
1 1 1 -12 0  3  f 275.7989 4.070320  762.0371       22.42954  763.7341       31.83750  760.3649       31.60410  -0.000000      0.000000  
1 1 1 -12 0  4  o 218.8794 3.250256  479.8680       14.21412  481.4338       20.16377  478.3213       20.04040  -0.000000      0.000000  
1 1 1 -12 0  5  o 405.6201 5.964787  1645.723       48.25407  1705.256       70.84782  1594.210       65.90327  -0.000000      0.000000  
1 1 1 -12 0  6  f 313.8062 4.620223  986.4753       28.96344  997.0522       41.45104  976.3850       40.48696  -0.000000      0.000000  
1 1 1 -12 0  7  o 16.71044 0.7718523 2.830604       0.2553486 2.669767       0.3613386 2.991048       0.3608968 -0.000000      0.000000  
1 1 1 -12 0  8  f 88.01941 1.894416  76.73411       3.293392  71.47850       4.301814  84.17677       5.119226  -0.000000      0.000000  
1 1 1 -12 0  9  o 79.41154 1.791087  63.16150       2.841442  63.16150       2.841442  63.16150       2.841442  -0.000000      0.000000  
1 1 1 -12 0  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 0  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 0  13 o 165.0642 3.491512  272.8917       11.51499  272.8917       11.51499  272.8917       11.51499  -0.000000      0.000000  
1 1 1 -12 0  14 o 577.2511 12.00404  3346.312       138.4534  3346.312       138.4534  3346.312       138.4534  -0.000000      0.000000  
1 1 1 -12 0  15 o 200.2801 2.972277  401.7856       11.89359  399.7985       16.72930  403.8163       16.91234  -0.000000      0.000000  
1 1 1 -12 0  16 o 44.76799 0.8682997 20.00903       0.7744557 18.90645       1.053661  21.30464       1.142178  -0.000000      0.000000  
1 1 1 -12 0  17 o 70.41119 1.153083  49.51101       1.618360  47.51388       2.202549  51.85437       2.385838  -0.000000      0.000000  
1 1 1 -12 0  18 o 512.6417 7.551510  2628.002       77.05792  2512.623       103.7244  2770.118       115.1164  -0.000000      0.000000  
1 1 1 -12 0  19 o 504.2445 7.421496  2553.679       74.75044  2521.440       104.2074  2587.850       107.2859  -0.000000      0.000000  
1 1 1 -12 0  20 o 564.8764 8.320305  3207.676       93.85097  3271.381       135.5782  3149.063       130.0452  -0.000000      0.000000  
1 1 1 -12 0  21 o 344.4882 5.078703  1190.510       34.95683  1193.207       49.57000  1187.842       49.30391  -0.000000      0.000000  
1 1 1 -12 0  22 o 25.17914 0.8101026 6.355811       0.4053744 5.937505       0.5541040 6.837505       0.5946087 -0.000000      0.000000  
1 1 1 -12 0  23 o 46.65225 0.9197975 21.81750       0.8566455 21.41912       1.209892  22.21798       1.213074  -0.000000      0.000000  
1 1 1 -12 0  24 f 200.6995 2.982923  403.6991       11.96154  402.8384       16.87530  404.5681       16.95734  -0.000000      0.000000  
1 1 1 -12 0  25 o 25.36946 0.8207483 6.476048       0.4144860 6.655082       0.5896622 6.301192       0.5827426 -0.000000      0.000000  
1 1 1 -12 0  26 f 65.96823 1.121433  43.45546       1.474558  45.77461       2.173437  41.47758       2.007155  -0.000000      0.000000  
1 1 1 -12 0  27 o 145.5020 2.193508  211.8223       6.369568  206.4287       8.762239  217.8664       9.275519  -0.000000      0.000000  
1 1 1 -12 0  28 o 75.01463 1.230495  56.33500       1.842982  55.23420       2.558027  57.52311       2.657560  -0.000000      0.000000  
1 1 1 -12 0  29 o 4.265244 1.832355  0.1776105      0.2848758 0.1880094      0.3939369 0.1662113      0.4124509 -0.000000      0.000000  
1 1 1 -12 0  30 o 37.54090 0.8748680 14.12602       0.6548677 13.44921       0.9111420 14.84924       0.9418676 -0.000000      0.000000  
1 1 1 -12 0  31 o 80.35358 1.315387  64.68627       2.111380  64.26896       2.980346  65.10674       2.991570  -0.000000      0.000000  
1 1 1 -12 0  32 o 43.96882 0.9369088 19.36062       0.8215612 20.04935       1.192043  18.73747       1.133865  -0.000000      0.000000  
1 1 1 -12 0  33 o 170.2662 2.554514  290.6068       8.689824  292.1681       12.36075  289.0811       12.21901  -0.000000      0.000000  
1 1 1 -12 0  34 o 24.54572 0.9525611 6.080267       0.4645530 6.252667       0.6594039 5.910382       0.6545770 -0.000000      0.000000  
1 1 1 -12 0  35 o 103.0901 1.613688  106.4908       3.323370  106.9445       4.722725  106.0457       4.677511  -0.000000      0.000000  
1 1 1 -12 0  36 o 151.5913 2.292620  230.3387       6.941613  227.0576       9.673553  233.8219       9.966861  -0.000000      0.000000  
1 1 1 -12 0  37 o 250.8919 3.729581  632.8256       18.69057  624.6772       26.05927  641.4582       26.82215  -0.000000      0.000000  
1 1 1 -12 0  38 o 55.06845 1.036733  30.38983       1.139691  30.85255       1.636156  29.95371       1.588436  -0.000000      0.000000  
1 1 1 -12 0  39 f 44.49963 0.9456413 19.85983       0.8398406 19.45167       1.179519  20.27954       1.196082  -0.000000      0.000000  
1 1 1 -12 0  40 o 14.73036 1.310034  2.247201       0.3759636 2.514498       0.5378746 1.991848       0.5257193 -0.000000      0.000000  
1 1 1 -12 0  41 o 59.42422 1.080555  35.40488       1.282245  35.44561       1.825036  35.36517       1.801922  -0.000000      0.000000  
1 1 1 -12 0  42 o 7.992552 2.264684  0.8871416      0.3541468 1.008572       0.5034811 0.7682266      0.4982387 -0.000000      0.000000  
1 1 1 -12 0  43 o 6.125733 2.215415  0.5317597      0.3537959 0.7387024      0.5066684 0.3348380      0.4942487 -0.000000      0.000000  
1 1 1 -12 0  44 o 74.66014 1.270604  55.90466       1.894796  55.44409       2.673536  56.36947       2.685798  -0.000000      0.000000  
1 1 1 -12 0  45 o 14.55584 1.381603  2.195798       0.3935967 2.331633       0.5766632 2.077326       0.5385491 -0.000000      0.000000  
1 1 1 -12 0  46 o 25.31797 1.023674  6.485162       0.5142746 6.257159       0.7342395 6.704738       0.7205421 -0.000000      0.000000  
1 1 1 -12 0  47 o 29.96502 0.9946443 9.053337       0.5918633 8.296059       0.8315201 9.830989       0.8426325 -0.000000      0.000000  
1 1 1 -12 0  48 o 95.91970 1.551410  92.34695       2.971549  90.56091       4.131325  94.26138       4.277283  -0.000000      0.000000  
1 1 1 -12 0  49 o 35.83738 1.001314  12.91121       0.7143636 13.07418       1.039278  12.76526       0.9835499 -0.000000      0.000000  
1 1 1 -12 0  50 f 53.12672 1.077998  28.31665       1.142827  27.40123       1.589093  29.29730       1.644745  -0.000000      0.000000  
1 1 1 -12 0  51 o 69.94261 1.246538  49.12543       1.740906  49.25851       2.488949  48.99795       2.435932  -0.000000      0.000000  
1 1 1 -12 0  52 o 14.80635 1.737329  2.345206       0.4767469 2.224531       0.6678714 2.470584       0.6807572 -0.000000      0.000000  
1 1 1 -12 0  53 o 35.73321 1.054337  12.86471       0.7504442 13.11307       1.056474  12.61177       1.066169  -0.000000      0.000000  
1 1 1 -12 0  54 o 28.89188 1.121087  8.388168       0.6415091 9.321808       0.9506019 7.607399       0.8693014 -0.000000      0.000000  
1 1 1 -12 0  55 o 8.376483 2.660899  1.028242       0.4730703 1.024930       0.6844052 1.031272       0.6546322 -0.000000      0.000000  
1 1 1 -12 0  56 o 61.55834 1.202854  38.10424       1.478340  37.78775       2.094666  38.41835       2.086733  -0.000000      0.000000  
1 1 1 -12 0  57 o 6.187184 2.499058  0.4661938      0.4873196 0.2343748      0.6555505 0.7525285      0.7285655 -0.000000      0.000000  
1 1 1 -12 0  58 o 12.80926 5.348488  2.373210       1.363446  2.373210       1.363446  2.373210       1.363446  -0.000000      0.000000  
1 1 1 -12 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 0  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 1  1  o 212.7184 2.226948  452.6356       9.474129  454.0191       13.44001  451.2689       13.35725  0.6460114      4.453895  
1 1 1 -12 1  2  o 166.0464 1.747901  273.9985       5.773108  259.8939       7.698992  292.1168       8.725913  -9.698807      3.495803  
1 1 1 -12 1  3  o 360.6205 3.743183  1301.601       26.99644  1307.890       38.37083  1295.436       37.98949  1.723419       7.486367  
1 1 1 -12 1  4  o 320.7909 3.331658  1029.743       21.37426  1024.103       30.04937  1035.518       30.40937  -1.776398      6.663316  
1 1 1 -12 1  5  o 150.1544 1.966999  220.1088       5.377536  238.5430       10.12341  212.8625       6.347066  8.534805       3.933997  
1 1 1 -12 1  6  o 135.9917 1.884645  181.3045       4.894654  197.1474       8.413806  173.2003       6.017715  8.794418       3.769290  
1 1 1 -12 1  7  o 131.9264 1.995792  172.6013       5.231124  161.9698       6.933536  186.6494       7.970167  -9.348785      3.991584  
1 1 1 -12 1  8  o 89.87645 1.402655  80.71986       2.519988  78.75058       3.495121  82.85193       3.636697  -2.281189      2.805311  
1 1 1 -12 1  9  o 177.8822 2.642895  315.0741       9.365292  300.8279       12.59134  332.7144       14.01119  -8.953842      5.285790  
1 1 1 -12 1  10 o 291.3557 3.722656  846.0526       20.31470  839.3876       24.67342  860.0793       35.79411  -3.450531      7.445311  
1 1 1 -12 1  11 o 283.9186 4.178024  806.5434       23.70992  822.5682       34.25294  791.8020       32.85265  5.403259       8.356049  
1 1 1 -12 1  12 o 417.3694 4.670483  1748.185       38.73174  1775.844       52.11787  1714.067       57.88479  7.471985       9.340966  
1 1 1 -12 1  13 o 202.9336 3.013780  411.8386       12.22433  404.7867       16.93684  419.5068       17.66154  -3.620804      6.027561  
1 1 1 -12 1  14 o 124.5387 1.884417  155.0964       4.692462  157.1644       6.727974  153.1375       6.547974  1.615700       3.768835  
1 1 1 -12 1  15 o 174.3729 2.601636  303.5697       9.057419  315.1521       13.28846  293.5198       12.37818  6.195541       5.203272  
1 1 1 -12 1  16 o 263.5757 3.888905  694.1006       20.46002  720.2547       30.08648  671.6000       27.90607  9.201416       7.777811  
1 1 1 -12 1  17 o 160.7865 2.082696  257.9160       6.288935  260.7354       11.00901  256.5503       7.662202  1.276459       4.165391  
1 1 1 -12 1  18 o 117.5144 1.358290  137.8941       3.186087  126.1567       4.416144  150.6356       4.601165  -10.41427      2.716580  
1 1 1 -12 1  19 o 335.4078 3.486330  1126.685       23.38684  1127.036       33.08419  1126.335       33.06380  0.1041870      6.972661  
1 1 1 -12 1  20 o 386.8184 4.019044  1499.524       31.09180  1492.382       43.75832  1506.806       44.18568  -1.856171      8.038089  
1 1 1 -12 1  21 f 214.3392 2.242721  459.6105       9.611398  465.6412       13.78772  453.9095       13.40548  2.732193       4.485441  
1 1 1 -12 1  22 f 210.6799 2.206433  444.1818       9.296467  446.8669       13.23370  441.5658       13.06236  1.255905       4.412865  
1 1 1 -12 1  23 o 117.5214 1.269571  137.5754       2.974155  131.4907       4.014142  144.9812       4.428501  -5.736198      2.539142  
1 1 1 -12 1  24 o 274.0975 2.857507  752.4920       15.66346  757.8076       22.32095  747.3348       21.98581  1.903412       5.715014  
1 1 1 -12 1  25 o 161.0867 1.703788  258.5101       5.468897  247.1296       7.364672  272.5005       8.165560  -7.863998      3.407576  
1 1 1 -12 1  26 o 151.9538 1.613719  230.9070       4.902011  227.0150       6.810866  235.0899       7.060873  -2.653839      3.227437  
1 1 1 -12 1  27 f 337.3835 3.512592  1139.498       23.66822  1108.149       32.45515  1175.107       34.59064  -9.864441      7.025184  
1 1 1 -12 1  28 o 203.0685 2.131706  412.7047       8.655663  417.7821       12.40090  407.8811       12.08704  2.432175       4.263411  
1 1 1 -12 1  29 o 99.17553 1.094785  98.33893       2.170692  96.70572       3.019874  100.0848       3.122332  -1.702606      2.189571  
1 1 1 -12 1  30 o 36.74709 0.6174584 13.31535       0.4505927 15.47790       0.6850530 11.66633       0.5982081 5.185703       1.234917  
1 1 1 -12 1  31 o 295.0070 3.076937  872.6565       18.15301  878.5262       25.86095  866.9550       25.48760  1.949127       6.153874  
1 1 1 -12 1  32 o 176.1659 1.860845  310.6066       6.554946  314.2617       9.387047  307.1281       9.157404  2.019897       3.721690  
1 1 1 -12 1  33 o 195.1831 2.054330  381.5178       8.019331  382.4549       11.37148  380.5906       11.31085  0.4760284      4.108660  
1 1 1 -12 1  34 o 80.01105 0.9250022 63.25942       1.467271  58.50013       1.926698  69.83054       2.263925  -7.076035      1.850004  
1 1 1 -12 1  35 o 123.3338 1.335144  152.1560       3.291970  154.8423       4.739329  149.6516       4.576060  2.100838       2.670288  
1 1 1 -12 1  36 o 52.21119 0.7100102 27.13468       0.7393383 25.53097       1.000880  29.06072       1.096864  -3.378998      1.420020  
1 1 1 -12 1  37 o 105.3263 1.161816  110.9848       2.446586  112.7266       3.514868  109.3476       3.407615  1.601311       2.323633  
1 1 1 -12 1  38 o 67.31662 0.8198331 44.93864       1.097189  48.92405       1.666180  41.88729       1.457912  5.222237       1.639666  
1 1 1 -12 1  39 o 73.11198 0.8707803 53.16307       1.267849  56.92357       1.902993  50.16160       1.700126  4.618927       1.741561  
1 1 1 -12 1  40 o 7.569742 1.458549  0.5827695      0.2387550 0.8404381      0.3380987 0.3264627      0.3372040 2.829440       2.917099  
1 1 1 -12 1  41 o 68.09338 0.8316857 46.18838       1.129111  49.05757       1.679661  43.82290       1.525112  3.838615       1.663371  
1 1 1 -12 1  42 o 92.68056 1.050483  86.00661       1.946995  86.77540       2.777183  85.26353       2.730349  0.8134155      2.100967  
1 1 1 -12 1  43 f 70.61493 0.8586822 49.61938       1.207847  53.14396       1.809679  46.78794       1.621998  4.492638       1.717364  
1 1 1 -12 1  44 o 92.91141 1.059245  86.46053       1.968158  85.63750       2.761860  87.30974       2.805443  -0.8974457     2.118490  
1 1 1 -12 1  45 o 41.39429 0.6855664 16.94868       0.5642449 15.16198       0.7516053 19.25598       0.8541129 -4.941109      1.371133  
1 1 1 -12 1  46 o 68.80166 0.8503056 47.22077       1.167112  49.90148       1.726869  44.96664       1.583522  3.578064       1.700611  
1 1 1 -12 1  47 o 39.69076 0.6842087 15.75709       0.5429311 15.35376       0.7553615 16.18818       0.7809172 -1.049931      1.368417  
1 1 1 -12 1  48 f 55.23726 0.7618090 30.55106       0.8415865 30.69438       1.194984  30.41002       1.185439  0.2568130      1.523618  
1 1 1 -12 1  49 o 16.14531 0.9851867 2.620927       0.3169580 2.379510       0.4505290 2.857512       0.4459980 -1.480710      1.970373  
1 1 1 -12 1  50 f 83.03656 0.9828985 69.12836       1.632079  69.97446       2.333162  68.31766       2.283844  0.9926758      1.965797  
1 1 1 -12 1  51 o 12.48555 1.224054  1.566425       0.3055325 1.549636       0.4370397 1.582475       0.4273011 -0.1327925     2.448107  
1 1 1 -12 1  52 o 34.91166 0.7268965 12.20571       0.5074397 12.41402       0.7266747 12.00745       0.7089111 0.5807533      1.453793  
1 1 1 -12 1  53 f 13.19717 1.344500  1.822236       0.3335379 2.329305       0.4684099 1.300695       0.4750479 4.063275       2.688999  
1 1 1 -12 1  54 o 69.53221 0.8922042 48.46073       1.240157  47.38081       1.721923  49.62461       1.787616  -1.605476      1.784408  
1 1 1 -12 1  55 o 75.15041 0.9412418 56.57995       1.413115  54.58463       1.943071  58.82013       2.058844  -2.802101      1.882484  
1 1 1 -12 1  56 o 21.73680 1.119331  4.533977       0.4612999 5.431073       0.8194180 4.117755       0.5581475 2.974789       2.238661  
1 1 1 -12 1  57 o 10.98238 2.205923  1.266888       0.5066979 1.244075       0.6970397 1.292453       0.7378595 -0.2127132     4.411846  
1 1 1 -12 1  58 o 29.41037 1.652804  8.568484       0.9589188 7.601433       1.237524  10.02161       1.516984  -4.031742      3.305609  
1 1 1 -12 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 2  1  o 303.8909 3.159020  922.6697       19.17333  950.7053       28.00966  897.9496       26.30128  8.666748       6.318039  
1 1 1 -12 2  2  o 260.8228 3.337336  677.1247       16.27420  691.1213       28.80236  670.5605       19.72462  3.869690       6.674671  
1 1 1 -12 2  3  o 429.5139 6.315645  1848.261       54.21962  1890.050       78.35953  1809.876       75.10050  9.284393       12.63129  
1 1 1 -12 2  4  o 410.5840 6.032137  1679.331       49.26302  1786.595       74.45714  1595.818       65.69881  23.10870       12.06427  
1 1 1 -12 2  5  o 312.6353 4.598401  976.2984       28.68802  1014.024       42.29219  944.1451       39.04417  11.14090       9.196801  
1 1 1 -12 2  6  o 109.6473 1.474524  114.7193       2.868336  108.8086       3.316865  132.2482       5.711965  -10.68047      2.949048  
1 1 1 -12 2  7  o 532.3329 5.549800  2782.366       58.09993  3147.253       92.88725  2547.863       74.46483  56.05664       11.09960  
1 1 1 -12 2  8  o 223.4038 2.334654  497.4350       10.39735  521.0807       15.46713  477.9408       14.04385  9.647156       4.669307  
1 1 1 -12 2  9  o 464.0688 6.844487  2157.518       63.46072  2096.031       87.37076  2226.179       92.32834  -13.93903      13.68897  
1 1 1 -12 2  10 f 307.5637 3.201646  946.5166       19.69181  938.7083       27.59305  954.6208       28.11101  -2.582672      6.403291  
1 1 1 -12 2  11 o 500.5554 5.211528  2509.521       52.15903  2466.156       72.73568  2555.429       74.83723  -8.888794      10.42306  
1 1 1 -12 2  12 o 77.80780 0.8864681 59.93417       1.369254  65.43009       2.096774  55.84787       1.807994  6.156929       1.772936  
1 1 1 -12 2  13 o 80.16661 0.9057503 63.75404       1.443242  68.77824       2.193199  59.91669       1.916729  5.526253       1.811501  
1 1 1 -12 2  14 o 182.1346 2.709132  331.4939       9.857781  340.9785       14.34907  323.0164       13.56589  4.924606       5.418264  
1 1 1 -12 2  15 o 61.23574 0.7332318 37.40918       0.8965977 39.08744       1.313614  35.94543       1.226795  2.565300       1.466464  
1 1 1 -12 2  16 f 123.5864 1.621872  153.6951       3.812965  155.8126       4.730382  149.7674       6.442608  2.455154       3.243744  
1 1 1 -12 2  17 o 205.5460 2.615964  426.9875       10.32552  438.4327       13.00222  407.4453       16.98998  7.576477       5.231928  
1 1 1 -12 2  18 o 66.04126 1.103355  43.61164       1.457090  44.08282       2.083910  43.16095       2.038126  0.6977386      2.206711  
1 1 1 -12 2  19 o 137.0151 2.065342  187.7986       5.658746  189.6998       8.090246  185.9776       7.917888  1.356705       4.130684  
1 1 1 -12 2  20 o 54.31328 0.9775658 29.15855       1.054337  26.73452       1.393114  32.40844       1.613065  -5.222263      1.955132  
1 1 1 -12 2  21 o 225.6334 2.867269  514.5693       12.41393  492.2234       20.47509  527.5580       15.61028  -7.904099      5.734537  
1 1 1 -12 2  22 o 113.7153 1.523631  126.3480       3.160476  136.6822       5.928082  122.2443       3.735657  6.328766       3.047261  
1 1 1 -12 2  23 o 39.08831 0.5938925 15.17106       0.4625428 16.61852       0.6912698 13.99763       0.6224051 3.352253       1.187785  
1 1 1 -12 2  24 o 154.7017 1.638152  239.4049       5.067462  242.1530       7.254740  236.7867       7.081352  1.732300       3.276304  
1 1 1 -12 2  25 o 95.37613 1.053193  90.76145       2.005022  94.45724       2.949347  87.58578       2.733947  3.600464       2.106387  
1 1 1 -12 2  26 f 61.75434 0.7518114 37.14066       0.9125465 33.06605       1.166131  43.57771       1.465709  -8.509094      1.503623  
1 1 1 -12 2  27 o 94.54613 1.048241  89.37293       1.981445  88.03603       2.758551  90.79793       2.847962  -1.459869      2.096482  
1 1 1 -12 2  28 o 77.99091 0.8962336 60.82180       1.397694  61.61433       2.000537  60.06604       1.953574  0.9922485      1.792467  
1 1 1 -12 2  29 o 173.6879 1.833619  301.5879       6.363379  309.4789       9.246291  294.4874       8.770873  4.307678       3.667237  
1 1 1 -12 2  30 o 35.33505 0.6146466 12.47976       0.4342115 12.74499       0.6245162 12.23156       0.6041268 0.7263947      1.229293  
1 1 1 -12 2  31 o 263.3965 2.751290  695.1376       14.48976  686.5903       20.21514  704.1691       20.77975  -3.320496      5.502581  
1 1 1 -12 2  32 o 184.0750 1.940535  339.1951       7.143167  342.1872       10.19975  336.3149       10.00693  1.590820       3.881070  
1 1 1 -12 2  33 o 162.0052 1.718379  262.7197       5.567533  261.4437       7.834404  264.0216       7.913552  -0.7939301     3.436758  
1 1 1 -12 2  34 f 291.1748 3.041752  851.0959       17.71354  849.6387       25.00418  852.5640       25.09753  -0.4981384     6.083503  
1 1 1 -12 2  35 o 72.78307 0.8644524 52.40858       1.248629  57.59787       1.916036  48.57807       1.646183  6.192558       1.728905  
1 1 1 -12 2  36 o 157.6494 1.676972  248.8906       5.287108  250.5755       7.530329  247.2526       7.424984  1.050491       3.353944  
1 1 1 -12 2  37 o 90.15098 1.019455  81.28992       1.837509  79.96961       2.559620  82.69391       2.639480  -1.509125      2.038910  
1 1 1 -12 2  38 o 79.60088 0.9251426 63.27021       1.470598  65.72298       2.153085  61.12534       2.013414  2.884537       1.850285  
1 1 1 -12 2  39 o 38.59640 0.6450087 14.90407       0.4978330 14.77012       0.7078539 15.03517       0.7002913 -0.3435211     1.290017  
1 1 1 -12 2  40 f 23.06883 0.7075467 5.299602       0.3218658 4.166327       0.4384593 6.623974       0.4739878 -5.325916      1.415093  
1 1 1 -12 2  41 o 90.91410 1.031834  82.69727       1.875203  81.02467       2.601874  84.50509       2.705006  -1.909760      2.063667  
1 1 1 -12 2  42 o 8.672808 1.316541  0.7405366      0.2584938 1.483608       0.3764592 0.7765698E-01  0.3555658 6.996413       2.633083  
1 1 1 -12 2  43 o 83.08412 0.9706959 69.00467       1.611172  66.79833       2.215343  71.48203       2.347475  -2.812332      1.941392  
1 1 1 -12 2  44 o 42.23929 0.6860388 17.58425       0.5750670 20.27695       0.8810766 15.58583       0.7590362 5.548527       1.372078  
1 1 1 -12 2  45 o 42.09718 0.6840032 17.73139       0.5758285 18.05206       0.8212768 17.42133       0.8075848 0.7485962      1.368006  
1 1 1 -12 2  46 o 15.73194 0.9124455 2.479247       0.2858273 2.797008       0.4104259 2.180001       0.3982891 1.960244       1.824891  
1 1 1 -12 2  47 o 24.86069 0.7413959 6.151614       0.3668429 7.076872       0.5397814 5.357461       0.5000790 3.456015       1.482792  
1 1 1 -12 2  48 o 54.17783 0.7567092 29.30715       0.8187083 27.81021       1.121367  31.01595       1.198095  -2.953781      1.513418  
1 1 1 -12 2  49 o 27.85560 0.7258887 7.761604       0.4039434 7.256225       0.5622268 8.300828       0.5807479 -1.873823      1.451777  
1 1 1 -12 2  50 o 38.72292 0.7083372 15.00661       0.5483927 15.43725       0.7877989 14.60177       0.7638445 1.077042       1.416674  
1 1 1 -12 2  51 f 15.49784 1.069119  2.421763       0.3210077 3.259911       0.4698550 1.688078       0.4396006 5.067722       2.138237  
1 1 1 -12 2  52 o 33.17734 0.8941303 10.86204       0.5549978 11.52972       0.9897776 10.55583       0.6702881 1.433842       1.788261  
1 1 1 -12 2  53 o 41.85117 1.054580  17.45400       0.8792511 15.68942       1.187617  19.59437       1.307976  -4.648571      2.109160  
1 1 1 -12 2  54 o 58.24374 1.148593  34.07151       1.336978  34.73152       1.935164  33.46877       1.849303  1.070484       2.297186  
1 1 1 -12 2  55 o 20.69780 1.309010  4.332291       0.5389026 3.834132       0.7652330 4.822434       0.7590514 -2.388632      2.618021  
1 1 1 -12 2  56 o 28.19486 0.8725579 7.769994       0.4855749 6.611604       0.6296231 9.470223       0.7627935 -5.050819      1.745116  
1 1 1 -12 2  57 o 29.11444 0.8374163 8.506392       0.4876008 8.564511       0.6884032 8.447874       0.6907461 0.2006531      1.674833  
1 1 1 -12 2  58 o 38.00211 1.525064  14.52701       1.159113  14.52701       1.159113  ?              ?         ?              ?         
1 1 1 -12 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 3  1  o 190.6356 2.824221  363.6099       10.76738  361.6968       15.13546  365.5701       15.32098  -1.014542      5.648442  
1 1 1 -12 3  2  o 416.8221 6.122333  1739.570       50.97578  1789.781       74.32511  1694.973       70.04630  11.30661       12.24467  
1 1 1 -12 3  3  o 481.1697 6.029034  2352.404       56.35501  2465.627       72.61572  2180.941       89.36097  29.82993       12.05807  
1 1 1 -12 3  4  o 464.8597 5.193054  2170.545       48.10214  2241.136       65.92097  2090.155       70.34804  16.29590       10.38611  
1 1 1 -12 3  5  o 291.3079 4.283646  846.8360       24.88487  885.4244       36.90937  814.6763       33.69493  12.10944       8.567291  
1 1 1 -12 3  6  o 424.8606 6.248851  1796.884       52.77688  1698.743       70.16888  1924.726       80.08601  -26.44278      12.49770  
1 1 1 -12 3  7  o 148.9572 1.577501  221.8084       4.697702  218.1793       6.532585  225.6950       6.760377  -2.521881      3.155002  
1 1 1 -12 3  8  o 129.6114 1.380817  168.0018       3.579174  166.9748       5.028478  169.0565       5.095622  -0.8028107     2.761634  
1 1 1 -12 3  9  o 408.1042 4.234629  1666.303       34.53945  1702.427       49.97233  1633.262       47.79285  8.450165       8.469257  
1 1 1 -12 3  10 o 128.8225 1.377471  165.7985       3.545760  169.9362       5.147503  162.0625       4.891231  3.055069       2.754941  
1 1 1 -12 3  11 o 327.9354 3.406852  1076.134       22.34019  1064.610       31.22704  1088.217       31.97379  -3.592377      6.813704  
1 1 1 -12 3  12 o 210.2796 2.200426  442.3081       9.253291  445.1461       13.18896  439.5571       12.98567  1.327682       4.400851  
1 1 1 -12 3  13 o 390.4153 4.052974  1526.254       31.64518  1517.677       44.47935  1535.045       45.03184  -2.217621      8.105948  
1 1 1 -12 3  14 o 331.8423 3.451018  1101.564       22.88963  1123.811       33.07554  1081.117       31.70932  6.418030       6.902035  
1 1 1 -12 3  15 o 76.14426 0.8705472 57.97812       1.325655  58.44263       1.888092  57.52650       1.861704  0.6014862      1.741094  
1 1 1 -12 3  16 o 212.3094 2.221014  448.6791       9.389541  474.5923       14.08917  427.9743       12.59392  10.96669       4.442028  
1 1 1 -12 3  17 o 460.7798 4.789966  2116.749       43.93272  2014.451       58.80179  2246.004       66.09651  -24.98764      9.579931  
1 1 1 -12 3  18 f 300.5399 3.127970  901.7990       18.75692  939.3807       27.69235  869.9421       25.49613  11.52249       6.255939  
1 1 1 -12 3  19 o 52.43626 0.6662468 27.40966       0.6973644 26.13191       0.9507917 28.89736       1.025934  -2.636723      1.332494  
1 1 1 -12 3  20 o 323.9025 4.145726  1045.756       25.08221  1035.139       30.37411  1068.515       44.47215  -4.855682      8.291451  
1 1 1 -12 3  21 o 34.55154 0.6943603 11.70614       0.4486838 11.30540       0.5409316 12.58988       0.8032882 -1.857784      1.388721  
1 1 1 -12 3  22 o 200.8084 2.983443  403.2813       11.96716  392.7634       16.44157  415.1314       17.45181  -5.550781      5.966886  
1 1 1 -12 3  23 f 252.1389 3.727898  635.9210       18.75933  614.8813       25.55685  660.4996       27.62283  -8.992447      7.455796  
1 1 1 -12 3  24 o 204.0251 3.030998  416.8060       12.36038  409.1083       17.12485  425.1775       17.85868  -3.920746      6.061996  
1 1 1 -12 3  25 o 77.37398 1.164592  56.92235       1.676413  67.93111       3.094199  52.34814       1.994513  10.05959       2.329183  
1 1 1 -12 3  26 f 93.52308 1.269331  87.80395       2.248676  86.53465       3.844598  88.46397       2.772340  -1.041916      2.538661  
1 1 1 -12 3  27 o 104.2363 1.141629  107.4188       2.358274  99.93110       3.093647  117.8056       3.643649  -8.568962      2.283258  
1 1 1 -12 3  28 o 128.9135 1.383418  166.2620       3.566762  165.5854       5.025991  166.9484       5.062533  -0.5282288     2.766836  
1 1 1 -12 3  29 o 83.41232 0.9515499 68.79144       1.573796  75.56425       2.425545  63.86691       2.068274  7.008606       1.903100  
1 1 1 -12 3  30 o 155.1390 1.647126  240.4013       5.102282  248.5939       7.476470  233.2598       6.980470  4.933884       3.294251  
1 1 1 -12 3  31 o 110.4892 1.206066  122.1312       2.665125  121.7410       3.760213  122.5252       3.777962  -0.3546677     2.412133  
1 1 1 -12 3  32 f 92.53259 1.039039  84.73827       1.907538  92.70980       2.930253  78.87572       2.512913  7.470230       2.078078  
1 1 1 -12 3  33 o 171.6228 1.815814  294.8784       6.232304  293.0304       8.754636  296.7773       8.874198  -1.088776      3.631628  
1 1 1 -12 3  34 o 143.5605 1.535388  206.2390       4.407166  208.9782       6.323424  203.6515       6.145721  1.851028       3.070775  
1 1 1 -12 3  35 o 99.80582 1.110946  99.61297       2.216752  97.66894       3.083958  101.6911       3.188581  -2.013077      2.221893  
1 1 1 -12 3  36 o 53.60614 0.7205449 28.52287       0.7691466 26.41216       1.030654  31.17588       1.155494  -4.441452      1.441090  
1 1 1 -12 3  37 o 37.41238 0.6390752 13.98797       0.4779524 14.41556       0.6891773 13.59175       0.6634123 1.100605       1.278150  
1 1 1 -12 3  38 o 11.80851 1.078524  1.401545       0.2528433 1.201262       0.3563435 1.604618       0.3588182 -1.707829      2.157049  
1 1 1 -12 3  39 o 54.63828 0.7310001 29.57628       0.7943265 27.18582       1.057102  32.67649       1.203844  -5.021091      1.462000  
1 1 1 -12 3  40 f 58.68859 0.7587489 34.35493       0.8888174 36.14128       1.308553  32.82486       1.211057  2.822845       1.517498  
1 1 1 -12 3  41 o 47.11190 0.6913697 22.02736       0.6485054 24.17873       0.9751211 20.32120       0.8683816 4.090874       1.382739  
1 1 1 -12 3  42 o 83.06660 0.9652867 68.99361       1.602220  67.05569       2.209549  71.14256       2.326756  -2.454803      1.930573  
1 1 1 -12 3  43 o 38.40285 0.9314554 14.73704       0.7142065 15.24138       1.046995  14.29811       0.9767415 1.224838       1.862911  
1 1 1 -12 3  44 o 53.43753 0.7375474 28.45511       0.7862912 30.36246       1.163263  26.85056       1.066939  3.282135       1.475095  
1 1 1 -12 3  45 o 44.39659 0.6957439 19.56248       0.6150810 21.61097       0.9233211 17.92816       0.8247183 4.143547       1.391488  
1 1 1 -12 3  46 o 60.78110 0.7929384 36.94552       0.9632675 35.80681       1.332773  38.19091       1.393807  -1.957844      1.585877  
1 1 1 -12 3  47 f 37.84185 0.6860813 14.23911       0.5175118 15.62387       0.7701936 13.09931       0.6987550 3.332138       1.372163  
1 1 1 -12 3  48 o 58.27690 0.7830371 33.99350       0.9124250 33.18012       1.273386  34.85175       1.308039  -1.431965      1.566074  
1 1 1 -12 3  49 o 60.03829 0.9855152 35.80083       1.103162  37.06410       1.968986  35.22287       1.331821  1.476307       1.971030  
1 1 1 -12 3  50 o 24.15442 1.125257  5.818026       0.5393236 6.936190       0.7955338 4.867040       0.7336560 4.275965       2.250514  
1 1 1 -12 3  51 o 54.50599 1.093873  29.52703       1.184958  32.41803       1.803546  27.33119       1.571819  4.638283       2.187746  
1 1 1 -12 3  52 o 23.30125 1.056792  5.866715       0.4533763 6.925320       0.5764320 4.149626       0.7341380 5.975172       2.113584  
1 1 1 -12 3  53 o 36.89290 0.7398103 13.62533       0.5456020 14.12202       0.7863375 13.16422       0.7576569 1.295258       1.479621  
1 1 1 -12 3  54 o 34.52110 0.7534677 11.94241       0.5201658 11.85873       0.7299221 12.02876       0.7414649 -0.2450714     1.506935  
1 1 1 -12 3  55 o 6.087410 1.713913  0.1772366      0.3178535 0.3142998      0.4481421 0.3848371E-01  0.4508959 0.9607377      3.427825  
1 1 1 -12 3  56 f 50.48473 0.7926014 25.53562       0.7998841 24.68533       1.110625  26.45198       1.152977  -1.744217      1.585203  
1 1 1 -12 3  57 o 22.89715 0.9579480 5.264118       0.4384649 5.187909       0.6088132 5.346243       0.6320029 -0.3418369     1.915896  
1 1 1 -12 3  58 o 35.09275 1.520765  12.38819       1.067357  12.38819       1.067357  ?              ?         ?              ?         
1 1 1 -12 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 4  1  o 158.7438 1.676465  252.0372       5.322258  253.2494       7.574812  250.8552       7.479707  0.7536621      3.352929  
1 1 1 -12 4  2  f 528.1238 5.497783  2785.572       57.89423  2918.285       85.97334  2675.459       78.31158  22.87634       10.99557  
1 1 1 -12 4  3  o 275.4669 2.869001  756.0286       15.74754  795.4906       23.51255  723.9282       21.20635  12.97180       5.738002  
1 1 1 -12 4  4  f 470.7814 4.883384  2218.618       45.95121  2264.429       66.40981  2176.538       63.64782  9.299225       9.766768  
1 1 1 -12 4  5  o 294.7206 3.064204  869.0588       18.05913  861.0427       25.28621  877.4045       25.80049  -2.771698      6.128408  
1 1 1 -12 4  6  o 246.2021 2.566900  606.2635       12.63630  598.6494       17.63320  614.3018       18.11751  -3.175507      5.133801  
1 1 1 -12 4  7  o 385.0139 3.997364  1483.612       30.77217  1463.675       42.91145  1504.718       44.15191  -5.316895      7.994728  
1 1 1 -12 4  8  o 302.9247 3.149145  917.7560       19.06867  934.6213       27.51453  902.1691       26.45124  5.347504       6.298291  
1 1 1 -12 4  9  o 272.7213 2.837776  744.2324       15.47844  744.2582       21.89122  744.2066       21.88841  0.9460449E-02  5.675552  
1 1 1 -12 4  10 o 125.1576 1.349539  156.5650       3.376172  159.5295       4.873955  153.8304       4.681138  2.276039       2.699078  
1 1 1 -12 4  11 o 560.0755 5.815603  3135.796       64.97311  3018.934       88.14990  3274.807       96.14098  -22.70776      11.63121  
1 1 1 -12 4  12 o 410.1605 4.257942  1683.553       34.90459  1720.015       50.50031  1650.202       48.29837  8.482147       8.515883  
1 1 1 -12 4  13 o 540.0845 5.652538  2901.988       60.62570  2742.076       80.25735  3114.497       92.51959  -34.25739      11.30508  
1 1 1 -12 4  14 f 242.2991 2.528318  587.0620       12.24553  598.5706       17.67066  576.4288       16.98527  4.563232       5.056635  
1 1 1 -12 4  15 o 214.2819 3.172587  459.3451       13.58916  451.1818       18.84917  468.1800       19.60931  -3.957565      6.345175  
1 1 1 -12 4  16 o 404.3707 4.197601  1638.294       33.94664  1631.284       47.77957  1645.440       48.23933  -1.742828      8.395203  
1 1 1 -12 4  17 o 297.5187 3.096116  883.0679       18.36679  924.5203       27.27796  848.6892       24.84176  12.71173       6.192232  
1 1 1 -12 4  18 o 336.3950 3.497332  1133.109       23.52362  1119.964       32.82618  1146.984       33.72694  -4.001434      6.994663  
1 1 1 -12 4  19 o 233.7057 2.440796  545.8727       11.39460  561.5262       16.61265  531.9658       15.65845  6.312576       4.881591  
1 1 1 -12 4  20 o 225.1354 2.352640  506.8005       10.58451  495.9478       14.61779  518.7618       15.34628  -5.057419      4.705280  
1 1 1 -12 4  21 o 139.7501 1.487160  194.8061       4.146598  203.1925       6.124535  187.7082       5.634427  5.535690       2.974320  
1 1 1 -12 4  22 o 241.6383 2.525490  583.8043       12.19120  569.1194       16.76864  600.2686       17.75558  -6.428864      5.050979  
1 1 1 -12 4  23 f 88.59489 0.9909883 78.50574       1.755901  78.67968       2.491474  78.33410       2.475047  0.1949081      1.981977  
1 1 1 -12 4  24 o 215.1071 2.252877  462.4311       9.677902  449.1772       13.26199  477.5297       14.15484  -6.574142      4.505755  
1 1 1 -12 4  25 o 175.7619 2.269979  309.9912       7.548131  311.4895       9.287783  307.0766       12.95394  1.320404       4.539958  
1 1 1 -12 4  26 o 92.77249 1.463103  85.42703       2.697975  92.04660       4.099149  80.36777       3.583629  6.288429       2.926206  
1 1 1 -12 4  27 o 254.1516 3.760848  648.0929       19.11607  645.7377       26.92575  650.4865       27.14398  -0.9273071     7.521695  
1 1 1 -12 4  28 o 190.5471 2.839270  363.7902       10.81934  366.5554       15.42412  361.1117       15.18051  1.422180       5.678540  
1 1 1 -12 4  29 o 177.3703 2.650541  315.1789       9.402114  313.4846       13.22119  316.9124       13.37331  -0.9624329     5.301082  
1 1 1 -12 4  30 o 52.94116 0.8714264 27.45146       0.8520805 29.54219       1.561688  26.56524       1.016759  2.806709       1.742853  
1 1 1 -12 4  31 o 227.2563 2.575492  516.7909       11.55772  522.1255       17.86247  512.9491       15.15852  1.942123       5.150983  
1 1 1 -12 4  32 f 44.97448 0.6635535 20.20928       0.5963207 20.69439       0.8655468 19.77098       0.8227311 1.026245       1.327107  
1 1 1 -12 4  33 o 129.4249 1.393833  167.5598       3.606692  164.9212       5.021630  170.3714       5.183486  -2.102432      2.787666  
1 1 1 -12 4  34 o 48.03765 0.6826419 23.06744       0.6556317 22.29006       0.9155593 23.88566       0.9393030 -1.660519      1.365284  
1 1 1 -12 4  35 o 205.9882 2.167571  425.2534       8.929079  428.3763       12.72966  422.2287       12.52801  1.484604       4.335141  
1 1 1 -12 4  36 o 162.9998 1.731999  266.1146       5.645353  263.2961       7.896827  269.0607       8.073576  -1.761765      3.463997  
1 1 1 -12 4  37 o 149.8436 1.600528  224.9214       4.796500  225.5311       6.806026  224.3198       6.760751  0.4024353      3.201056  
1 1 1 -12 4  38 o 24.44604 0.6809329 5.924212       0.3306383 7.001921       0.4918455 5.035635       0.4466074 4.020790       1.361866  
1 1 1 -12 4  39 o 186.2237 1.971274  348.0592       7.341924  348.5646       10.40205  347.5574       10.36415  0.2679443      3.942548  
1 1 1 -12 4  40 o 34.69007 0.6496997 11.88517       0.4478644 13.70406       0.6787055 10.48225       0.5960633 4.641743       1.299399  
1 1 1 -12 4  41 o 71.15305 0.8578076 50.67407       1.220709  50.58298       1.727273  50.76497       1.725415  -0.1279526     1.715615  
1 1 1 -12 4  42 o 29.58453 0.6628812 8.750484       0.3920176 8.970656       0.5656303 8.546974       0.5438069 0.7153778      1.325762  
1 1 1 -12 4  43 o 79.85693 1.216076  63.69854       1.891456  64.82819       3.055404  62.99665       2.408425  1.106384       2.432151  
1 1 1 -12 4  44 o 38.02310 0.6757586 14.24512       0.5099133 16.66846       0.7783298 12.42291       0.6749265 5.579021       1.351517  
1 1 1 -12 4  45 o 53.64500 0.9176068 28.51307       0.9160697 29.65525       1.642714  27.99755       1.103603  1.514896       1.835214  
1 1 1 -12 4  46 o 63.10694 1.141282  39.69758       1.434198  42.32000       2.153061  37.60582       1.922920  3.716614       2.282564  
1 1 1 -12 4  47 o 83.31401 1.381702  69.68537       2.302177  68.82880       3.236675  70.56247       3.275207  -1.036446      2.763404  
1 1 1 -12 4  48 o 62.83153 1.148476  39.55287       1.442225  38.25480       1.995198  40.97333       2.087134  -2.154438      2.296952  
1 1 1 -12 4  49 f 20.15704 1.116368  4.428023       0.4114065 5.329338       0.5247323 2.990053       0.6627876 5.816376       2.232735  
1 1 1 -12 4  50 o 58.03777 0.7972695 33.69605       0.9245020 34.85530       1.344806  32.65725       1.273031  1.887646       1.594539  
1 1 1 -12 4  51 o 14.41582 1.246779  2.173783       0.3205019 3.314448       0.4700152 1.182430       0.4381744 7.531097       2.493558  
1 1 1 -12 4  52 o 51.55347 0.7664952 26.55287       0.7889846 28.02870       1.157458  25.27194       1.078325  2.666149       1.532990  
1 1 1 -12 4  53 o 32.79180 0.7506343 10.64168       0.4889993 12.45716       0.7374138 9.216751       0.6532999 4.932383       1.501269  
1 1 1 -12 4  54 o 49.08634 0.7679688 24.09762       0.7530291 25.28584       1.098177  23.04307       1.034556  2.277622       1.535938  
1 1 1 -12 4  55 o 35.00991 0.7639421 12.28690       0.5348236 12.58163       0.7584732 11.99543       0.7542540 0.8367081      1.527884  
1 1 1 -12 4  56 o 32.75804 0.7907157 10.68989       0.5151944 9.231933       0.7002258 12.41063       0.7607173 -4.843771      1.581431  
1 1 1 -12 4  57 o 47.92407 0.8418666 23.08566       0.8022367 23.41331       1.082276  22.68608       1.195175  0.7754593      1.683733  
1 1 1 -12 4  58 o 29.21582 2.091697  8.633305       1.222213  8.633305       1.222213  ?              ?         ?              ?         
1 1 1 -12 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 5  1  o 305.6110 3.182652  933.6896       19.43222  912.7736       26.75589  957.0386       28.26913  -7.227783      6.365303  
1 1 1 -12 5  2  o 364.3372 3.784662  1325.896       27.52205  1375.166       40.48890  1283.577       37.52409  12.53674       7.569324  
1 1 1 -12 5  3  o 167.9128 1.767223  281.8640       5.932031  286.8213       8.546515  277.2556       8.240186  2.846878       3.534446  
1 1 1 -12 5  4  o 213.0370 2.226772  453.2959       9.474496  467.2348       13.84225  441.0099       12.99570  6.149658       4.453545  
1 1 1 -12 5  5  o 451.1163 4.682374  2033.715       42.16006  1966.432       57.47121  2112.114       62.03687  -16.08646      9.364749  
1 1 1 -12 5  6  o 134.9464 1.441306  182.0940       3.889246  180.1161       5.437183  184.1664       5.565510  -1.500183      2.882611  
1 1 1 -12 5  7  o 337.6814 3.507058  1138.785       23.63807  1102.328       32.23512  1181.193       34.76682  -11.65201      7.014116  
1 1 1 -12 5  8  o 303.7747 3.162458  923.4989       19.21264  928.3834       27.32546  918.7234       27.01870  1.587158       6.324916  
1 1 1 -12 5  9  o 169.6400 1.784519  287.8536       6.054508  288.1251       8.571012  287.5833       8.553749  0.1596069      3.569037  
1 1 1 -12 5  10 o 235.0403 2.453169  552.6192       11.52995  547.2144       16.13051  558.2654       16.48695  -2.348206      4.906339  
1 1 1 -12 5  11 o 236.1186 2.464226  556.1439       11.60647  579.9683       17.17263  536.1088       15.74784  9.276520       4.928451  
1 1 1 -12 5  12 o 425.2190 4.414097  1810.602       37.52524  1839.589       53.95717  1783.449       52.22274  6.575958       8.828195  
1 1 1 -12 5  13 o 167.6564 1.768139  281.1718       5.928776  280.5135       8.371689  281.8342       8.397481  -0.3937073     3.536278  
1 1 1 -12 5  14 o 328.7712 3.418404  1082.173       22.47631  1076.328       31.59599  1088.160       31.98008  -1.794525      6.836808  
1 1 1 -12 5  15 o 401.7332 5.911664  1619.231       47.47191  1590.787       65.83847  1650.033       68.51218  -7.310577      11.82333  
1 1 1 -12 5  16 o 286.2933 2.981857  819.6461       17.05769  839.8673       24.77211  801.4131       23.52279  6.699799       5.963713  
1 1 1 -12 5  17 f 307.7979 3.203111  948.1636       19.70862  933.2336       27.36877  964.2452       28.40447  -5.022186      6.406222  
1 1 1 -12 5  18 f 169.2170 1.790478  286.2487       6.055148  292.0583       8.764539  280.9435       8.375261  3.280701       3.580955  
1 1 1 -12 5  19 o 115.9577 1.250196  134.2564       2.895233  130.3297       3.968690  138.7237       4.233037  -3.617622      2.500392  
1 1 1 -12 5  20 o 38.19682 0.6543205 14.54258       0.4935513 11.58653       0.6748716 17.94141       0.7236528 -8.318405      1.308641  
1 1 1 -12 5  21 o 28.33612 0.5559944 7.883830       0.3121107 9.492557       0.4781347 6.689383       0.4119955 4.946054       1.111989  
1 1 1 -12 5  22 o 102.5157 1.121335  105.1181       2.299018  105.5520       3.266631  104.6923       3.236187  0.4190369      2.242671  
1 1 1 -12 5  23 o 127.2108 1.365459  160.9904       3.458606  171.1280       5.194122  152.9151       4.635774  7.152519       2.730918  
1 1 1 -12 5  24 f 273.9797 2.858049  751.9201       15.65880  745.1693       21.92853  758.9439       22.36777  -2.503723      5.716098  
1 1 1 -12 5  25 o 307.7662 3.206348  947.9191       19.71002  975.6941       28.76998  923.3528       27.05717  8.460724       6.412696  
1 1 1 -12 5  26 o 384.7648 4.004674  1485.740       30.81425  1474.615       43.22429  1497.237       43.94038  -2.916290      8.009348  
1 1 1 -12 5  27 o 88.86336 1.003341  78.34146       1.773040  84.89582       2.687649  73.29102       2.359241  6.526665       2.006682  
1 1 1 -12 5  28 o 237.6839 2.486140  565.8375       11.81808  567.6840       16.77510  564.0178       16.65217  0.7684174      4.972279  
1 1 1 -12 5  29 o 199.3332 2.583446  394.3390       9.569653  388.1202       11.52089  408.1778       17.18633  -4.887863      5.166891  
1 1 1 -12 5  30 o 288.1046 3.695292  831.2433       19.98136  827.0214       24.33610  839.9774       35.00319  -1.831604      7.390583  
1 1 1 -12 5  31 o 111.5593 1.727142  124.4023       3.849255  128.0516       5.605547  121.1462       5.295051  3.088806       3.454285  
1 1 1 -12 5  32 o 213.4026 3.176598  456.9214       13.55456  451.3536       18.91940  462.7931       19.42882  -2.659729      6.353196  
1 1 1 -12 5  33 o 42.62514 0.9374187 18.17549       0.7991316 17.99462       1.127924  18.35779       1.132375  -0.4259415     1.874837  
1 1 1 -12 5  34 o 63.21481 1.125527  39.74050       1.417300  42.66167       2.123562  37.39408       1.903221  4.162369       2.251054  
1 1 1 -12 5  35 o 103.5758 1.406424  107.3848       2.744460  107.4217       4.761500  107.3664       3.358461  -0.1037598E-01 2.812847  
1 1 1 -12 5  36 o 122.1377 1.428666  149.7651       3.471030  145.2402       5.140288  153.5576       4.705971  -3.418884      2.857332  
1 1 1 -12 5  37 o 59.98063 0.7662482 35.67398       0.9138306 38.89454       1.386830  33.20255       1.214877  4.741444       1.532496  
1 1 1 -12 5  38 f 27.96139 0.6715797 7.744902       0.3734264 8.987918       0.5579148 6.736094       0.5026134 4.025515       1.343159  
1 1 1 -12 5  39 o 64.24055 0.8041002 41.08678       1.029576  43.73553       1.535440  38.92290       1.387807  3.741749       1.608200  
1 1 1 -12 5  40 f 90.55407 1.028999  82.07985       1.863325  81.09857       2.607934  83.10318       2.663217  -1.104599      2.057998  
1 1 1 -12 5  41 o 81.85026 0.9537184 66.25983       1.547822  61.25240       2.033520  73.15659       2.386511  -7.256760      1.907437  
1 1 1 -12 5  42 o 86.65827 1.225256  75.13761       1.999379  75.58588       3.476848  74.91613       2.443885  0.3261871      2.450512  
1 1 1 -12 5  43 o 25.36218 0.9946659 6.340797       0.4982031 7.958583       0.7536836 5.085313       0.6639481 5.659773       1.989332  
1 1 1 -12 5  44 o 82.57039 1.361311  68.36462       2.247496  69.02367       3.221375  67.73956       3.137175  0.7711411      2.722622  
1 1 1 -12 5  45 f 42.99630 0.8872766 18.58880       0.7554179 19.08940       1.007850  17.94699       1.141174  1.336243       1.774553  
1 1 1 -12 5  46 o 86.31647 1.008183  74.30434       1.734818  78.90107       2.583093  70.52736       2.341470  4.833519       2.016365  
1 1 1 -12 5  47 o 18.20784 0.8991042 3.311703       0.3269443 3.526867       0.4774848 3.121782       0.4486037 1.110340       1.798208  
1 1 1 -12 5  48 o 61.35427 0.8052678 37.58012       0.9862182 35.77710       1.344475  39.68036       1.451062  -3.173470      1.610536  
1 1 1 -12 5  49 o 43.67095 0.7280742 19.09452       0.6357589 18.51001       0.8915290 19.69930       0.9068648 -1.360538      1.456148  
1 1 1 -12 5  50 o 40.90162 0.7207730 16.75367       0.5895820 16.92926       0.8392515 16.58258       0.8284432 0.4229736      1.441546  
1 1 1 -12 5  51 o 50.24525 0.7608224 25.28108       0.7641603 25.67010       1.101669  24.92035       1.060858  0.7424889      1.521645  
1 1 1 -12 5  52 o 18.09969 0.9796242 3.270017       0.3506619 4.004135       0.5161844 2.640882       0.4778524 3.761211       1.959248  
1 1 1 -12 5  53 o 18.39427 0.9747999 3.380858       0.3575264 3.037797       0.4893192 3.773767       0.5236638 -1.995998      1.949600  
1 1 1 -12 5  54 o 16.07269 1.117318  2.600533       0.3585577 2.451723       0.5105743 2.745334       0.5036507 -0.9145002     2.234636  
1 1 1 -12 5  55 o 46.81763 0.7722222 21.97350       0.7229961 21.53242       1.018506  22.42150       1.026482  -0.9485817     1.544444  
1 1 1 -12 5  56 o 35.32178 0.7838869 12.48556       0.5531294 13.15417       0.8056199 11.88930       0.7607899 1.784439       1.567774  
1 1 1 -12 5  57 o 29.35643 1.020677  8.308812       0.5633008 7.690434       0.6774129 9.694714       1.014127  -3.353085      2.041354  
1 1 1 -12 5  58 o 22.35475 1.787726  5.040211       0.7992831 5.040211       0.7992831 ?              ?         ?              ?         
1 1 1 -12 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 5  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 6  1  o 336.6554 3.504147  1132.708       23.55859  1168.878       34.46050  1100.970       32.28004  10.06042       7.008294  
1 1 1 -12 6  2  o 243.3779 2.539443  592.6422       12.36035  596.1495       17.57921  589.2127       17.38280  1.423523       5.078887  
1 1 1 -12 6  3  o 111.3847 1.200785  123.8797       2.671540  120.3373       3.667745  127.8832       3.899119  -3.386421      2.401570  
1 1 1 -12 6  4  o 320.8103 3.336217  1029.535       21.39373  1049.163       30.88258  1011.425       29.66477  5.868896       6.672435  
1 1 1 -12 6  5  o 697.5668 7.286010  4888.721       101.6488  4912.623       144.0621  4865.022       143.4460  3.397827       14.57202  
1 1 1 -12 6  6  o 482.2872 5.028055  2330.277       48.48869  2376.937       69.46504  2285.939       67.71518  9.406555       10.05611  
1 1 1 -12 6  7  o 534.9899 6.193496  2628.028       59.23489  2365.617       68.26153  3428.069       119.1905  -98.29901      12.38699  
1 1 1 -12 6  8  o 412.9789 4.298990  1699.926       35.33704  1790.963       53.14114  1627.762       47.31326  19.67844       8.597980  
1 1 1 -12 6  9  o 139.2557 1.481774  193.9606       4.126900  193.7487       5.828804  194.1737       5.843862  -0.1525269     2.963549  
1 1 1 -12 6  10 o 318.4064 3.311537  1014.867       21.08757  1011.520       29.68081  1018.280       29.96590  -1.058411      6.623074  
1 1 1 -12 6  11 o 277.2009 2.889855  768.9568       16.02006  775.7143       22.83661  762.4091       22.47918  2.396271       5.779709  
1 1 1 -12 6  12 o 251.7435 2.624194  633.7255       13.20394  646.9509       19.08830  621.5912       18.28405  5.028915       5.248388  
1 1 1 -12 6  13 o 156.3698 1.662448  244.2198       5.192446  251.5484       7.576776  237.7301       7.130025  4.415527       3.324896  
1 1 1 -12 6  14 o 246.3844 2.570139  606.9590       12.65467  594.1841       17.48236  621.0200       18.34134  -5.436661      5.140278  
1 1 1 -12 6  15 f 301.1101 3.619251  905.8934       21.74861  941.2898       32.04300  875.6587       29.61469  10.85886       7.238502  
1 1 1 -12 6  16 o 16.96259 0.6872516 2.923852       0.2280815 3.594444       0.3210091 2.240177       0.3241255 3.991929       1.374503  
1 1 1 -12 6  17 o 81.98532 0.9234453 66.46008       1.501107  72.89318       2.313831  61.78474       1.972549  6.773033       1.846891  
1 1 1 -12 6  18 o 280.8469 2.924666  789.7846       16.42755  791.4526       23.28520  788.1319       23.17928  0.5894775      5.849332  
1 1 1 -12 6  19 o 342.1492 3.558529  1171.536       24.32206  1142.241       33.43767  1204.449       35.44302  -9.048553      7.117058  
1 1 1 -12 6  20 o 117.4931 1.267042  137.7238       2.970862  143.3373       4.378575  132.9349       4.044186  4.424019       2.534084  
1 1 1 -12 6  21 o 274.5303 2.861456  754.5919       15.70512  766.4669       22.58693  743.4769       21.85209  4.171967       5.722911  
1 1 1 -12 6  22 o 174.4375 1.841690  304.5103       6.425125  303.6889       9.061166  305.3408       9.112044  -0.4727325     3.683379  
1 1 1 -12 6  23 f 224.8266 2.353386  505.7747       10.57600  496.8549       14.66291  515.4469       15.26893  -4.123276      4.706772  
1 1 1 -12 6  24 o 106.9610 1.166745  113.2570       2.475495  105.7966       3.259526  123.4247       3.805242  -8.235466      2.333491  
1 1 1 -12 6  25 o 153.9753 1.635871  237.1990       5.037064  238.9541       7.189685  235.5070       7.059078  1.117676       3.271742  
1 1 1 -12 6  26 o 346.8089 3.611678  1206.143       25.04274  1223.830       35.98020  1189.523       34.87711  4.911560       7.223356  
1 1 1 -12 6  27 o 270.2101 2.820165  731.5793       15.23977  727.1358       21.40830  736.1444       21.69922  -1.659485      5.640330  
1 1 1 -12 6  28 o 180.9213 1.907515  327.6215       6.901651  325.4533       9.687645  329.8562       9.834839  -1.214066      3.815031  
1 1 1 -12 6  29 o 243.7170 2.549588  595.0262       12.42574  589.6935       17.39609  600.5809       17.75469  -2.224014      5.099176  
1 1 1 -12 6  30 o 203.9000 2.142899  416.3068       8.737958  412.9950       12.25884  419.7272       12.45825  -1.646103      4.285798  
1 1 1 -12 6  31 o 85.83656 0.9760977 73.54265       1.672900  76.36526       2.452963  71.08825       2.287381  3.071915       1.952195  
1 1 1 -12 6  32 o 325.8467 3.401223  1066.534       22.16445  1072.435       31.53339  1060.772       31.16046  1.772003       6.802447  
1 1 1 -12 6  33 o 84.84462 0.9717207 71.30116       1.637105  66.40188       2.163877  77.85909       2.503512  -6.746651      1.943441  
1 1 1 -12 6  34 o 69.11842 0.9076404 47.77057       1.241272  47.64042       1.638799  47.94571       1.901112  -0.2167130     1.815281  
1 1 1 -12 6  35 o 89.22937 1.260039  77.21673       2.037014  74.06429       2.392138  85.53310       3.885346  -6.387283      2.520078  
1 1 1 -12 6  36 o 50.63589 1.009267  25.60599       1.020787  26.65191       1.490568  24.68222       1.400829  1.942783       2.018533  
1 1 1 -12 6  37 o 75.89571 1.277215  57.13596       1.926159  53.18994       2.553365  62.34672       2.934159  -6.018616      2.554430  
1 1 1 -12 6  38 o 37.60770 1.331728  0.000000       0.000000  ?              ?         14.15507       1.001664  ?              ?         
1 1 1 -12 6  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 6  40 o 47.10312 1.351281  0.000000       0.000000  ?              ?         22.21175       1.272991  ?              ?         
1 1 1 -12 6  41 o 57.08907 1.484292  0.000000       0.000000  ?              ?         32.63839       1.694737  ?              ?         
1 1 1 -12 6  42 o 22.91905 1.041519  5.202798       0.4686105 3.941810       0.6295316 6.769776       0.7017684 -6.165726      2.083038  
1 1 1 -12 6  43 o 46.67780 0.7111900 21.79896       0.6638115 21.22407       0.9308211 22.39391       0.9469287 -1.252476      1.422380  
1 1 1 -12 6  44 o 51.75295 0.7297161 26.70995       0.7535695 28.22744       1.112725  25.42433       1.024188  2.704338       1.459432  
1 1 1 -12 6  45 o 70.35481 0.8669395 49.50352       1.218797  48.02136       1.681145  51.14562       1.769529  -2.215042      1.733879  
1 1 1 -12 6  46 o 103.5988 1.163852  107.4182       2.407796  111.1332       3.524098  104.1656       3.297466  3.343925       2.327704  
1 1 1 -12 6  47 o 64.84571 0.8339919 41.71789       1.074772  45.62223       1.636033  38.75364       1.425531  5.281643       1.667984  
1 1 1 -12 6  48 o 51.68522 0.7509424 26.72818       0.7757515 27.39731       1.121828  26.11501       1.073898  1.237225       1.501885  
1 1 1 -12 6  49 o 18.25517 0.9358093 3.334622       0.3413261 3.532937       0.4947574 3.154515       0.4714980 1.034227       1.871619  
1 1 1 -12 6  50 o 65.67377 0.8486458 43.22013       1.114556  43.61695       1.590316  42.83706       1.562493  0.5911942      1.697292  
1 1 1 -12 6  51 o 32.97412 0.7387432 10.77757       0.4840632 12.63906       0.7245094 9.276586       0.6505800 5.092134       1.477486  
1 1 1 -12 6  52 o 13.93507 1.228441  1.955759       0.3412977 1.770473       0.4808585 2.143860       0.4844977 -1.339152      2.456882  
1 1 1 -12 6  53 o 54.45745 0.7946538 29.50105       0.8615419 32.12241       1.296452  27.42790       1.152943  4.294628       1.589308  
1 1 1 -12 6  54 o 17.38698 1.044665  2.993611       0.3594527 3.684120       0.5420411 2.451590       0.4802375 3.535019       2.089331  
1 1 1 -12 6  55 o 45.38310 0.7693280 20.51640       0.6959865 22.49197       1.035397  18.88794       0.9400449 3.959106       1.538656  
1 1 1 -12 6  56 o 22.83627 1.024217  5.069074       0.4586211 6.153363       0.7438737 4.404198       0.5825013 3.800694       2.048434  
1 1 1 -12 6  57 o 36.15547 1.218973  13.50385       0.7549046 13.83701       0.8730847 12.51706       1.502625  1.955894       2.437946  
1 1 1 -12 6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 6  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 7  1  o 126.7969 1.927346  160.8234       4.887263  162.0235       6.963376  159.6584       6.861027  0.9319077      3.854692  
1 1 1 -12 7  2  o 116.4070 1.256182  135.1401       2.917984  141.0752       4.304273  130.0927       3.969350  4.715767       2.512364  
1 1 1 -12 7  3  o 86.86763 0.9661100 75.43824       1.678013  74.29767       2.340006  76.64564       2.407574  -1.351227      1.932220  
1 1 1 -12 7  4  o 196.5847 2.061233  384.5036       8.066357  407.6960       12.12844  366.1080       10.80160  10.56779       4.122465  
1 1 1 -12 7  5  o 347.2852 3.612006  1206.652       25.07131  1181.551       34.70372  1234.055       36.25983  -7.539032      7.224013  
1 1 1 -12 7  6  o 213.9391 2.236330  457.7151       9.564928  450.7412       13.30312  465.1788       13.76226  -3.370514      4.472660  
1 1 1 -12 7  7  o 65.74667 0.8950521 43.22606       1.176597  43.38111       1.685612  43.07875       1.643121  0.2298050      1.790104  
1 1 1 -12 7  8  o 52.30111 0.6585817 27.14644       0.6857214 29.53629       1.032116  25.25795       0.9174867 4.089828       1.317163  
1 1 1 -12 7  9  o 88.50589 0.9873591 78.30699       1.747322  76.77795       2.438702  79.92004       2.504797  -1.774834      1.974718  
1 1 1 -12 7  10 o 112.7640 1.216654  127.1725       2.743792  126.5621       3.860230  127.7957       3.900702  -0.5467911     2.433308  
1 1 1 -12 7  11 o 85.82606 0.9617385 72.69899       1.633307  67.46230       2.131405  80.14880       2.542204  -7.389206      1.923477  
1 1 1 -12 7  12 o 197.1438 2.066421  388.8563       8.147619  389.3042       11.53767  388.4107       11.50733  0.2263489      4.132841  
1 1 1 -12 7  13 o 401.8257 4.177724  1605.899       33.35083  1518.438       44.22605  1721.206       50.78079  -25.10754      8.355449  
1 1 1 -12 7  14 o 361.4783 3.757152  1308.899       27.15815  1322.000       38.82813  1296.351       38.00010  3.533051       7.514303  
1 1 1 -12 7  15 o 385.2089 4.628400  1487.810       35.64540  1468.553       49.63359  1508.322       51.22444  -5.125061      9.256801  
1 1 1 -12 7  16 o 101.6657 1.112021  102.3992       2.244037  95.92878       2.962735  111.1064       3.436887  -7.461655      2.224042  
1 1 1 -12 7  17 o 216.3956 2.265443  468.6368       9.804345  466.4535       13.80151  470.8613       13.93026  -1.016800      4.530885  
1 1 1 -12 7  18 o 395.4821 4.112561  1567.908       32.51577  1592.845       46.78411  1544.607       45.22405  6.059540       8.225122  
1 1 1 -12 7  19 o 146.1526 1.551987  213.6627       4.535805  215.8376       6.484732  211.5793       6.346690  1.455368       3.103974  
1 1 1 -12 7  20 f 400.7551 4.168216  1611.726       33.40628  1622.227       47.58464  1601.520       46.90982  2.562866       8.336432  
1 1 1 -12 7  21 o 105.6796 1.153663  111.3032       2.431554  106.5367       3.293214  117.0164       3.605429  -4.955391      2.307326  
1 1 1 -12 7  22 o 142.8510 1.520729  204.0939       4.343451  201.1863       6.053963  207.1783       6.235178  -2.095078      3.041457  
1 1 1 -12 7  23 o 160.5714 1.699031  257.2897       5.443798  248.2183       7.404204  267.9629       8.031369  -6.139938      3.398062  
1 1 1 -12 7  24 o 134.2712 1.436258  180.3712       3.856955  180.4504       5.459268  180.2923       5.449861  0.5874634E-01  2.872515  
1 1 1 -12 7  25 o 181.4263 1.911703  328.4943       6.919636  342.4677       10.22368  316.6821       9.399831  7.092773       3.823406  
1 1 1 -12 7  26 o 183.8958 1.937467  338.4691       7.125278  341.0270       10.15389  335.9875       10.00118  1.367508       3.874935  
1 1 1 -12 7  27 o 70.88197 0.8394627 49.53649       1.178032  55.20867       1.830800  45.52869       1.538932  6.825897       1.678925  
1 1 1 -12 7  28 o 194.6043 2.048303  379.1196       7.971092  382.2189       11.38422  376.1387       11.16464  1.557526       4.096607  
1 1 1 -12 7  29 o 283.6657 2.961133  806.0700       16.78527  825.0996       24.34279  788.8209       23.17607  6.356598       5.922266  
1 1 1 -12 7  30 o 184.2517 1.943673  339.3868       7.153270  330.1484       9.821674  349.8230       10.43903  -5.324905      3.887346  
1 1 1 -12 7  31 f 231.6219 2.426951  537.6301       11.24189  541.0739       16.01312  534.2832       15.78618  1.458603       4.853902  
1 1 1 -12 7  32 f 133.7165 1.438024  178.7432       3.842059  174.2570       5.295433  183.7298       5.582943  -3.535767      2.876048  
1 1 1 -12 7  33 o 157.5706 1.676720  248.5979       5.283753  247.2274       7.426659  250.0026       7.518906  -0.8780670     3.353440  
1 1 1 -12 7  34 o 80.30006 0.9303595 64.49436       1.493791  65.27484       2.141044  63.75410       2.085143  0.9458771      1.860719  
1 1 1 -12 7  35 o 51.35645 0.8564332 26.33022       0.8307111 26.56074       1.437158  26.21455       1.018003  0.3289452      1.712866  
1 1 1 -12 7  36 o 37.88352 0.8859630 13.89291       0.6602568 11.53117       0.8493866 17.49890       1.049545  -7.871738      1.771926  
1 1 1 -12 7  37 o 111.0878 1.721096  123.7260       3.823735  124.1552       5.432682  123.3047       5.382818  0.3801346      3.442191  
1 1 1 -12 7  38 o 35.84389 0.8873668 12.79962       0.6343887 11.59066       0.8673744 14.19018       0.9302438 -3.624268      1.774734  
1 1 1 -12 7  39 o 67.05565 0.9919130 45.87435       1.302505  50.73935       1.737345  39.63037       1.968224  8.292358       1.983826  
1 1 1 -12 7  40 o 36.32661 0.8195728 12.97940       0.5524988 12.61351       0.6624699 13.81532       1.001326  -1.641842      1.639146  
1 1 1 -12 7  41 o 44.28868 0.8520581 19.95078       0.7177898 20.72062       0.8965985 18.57674       1.197835  2.432446       1.704116  
1 1 1 -12 7  42 o 23.04952 1.104439  5.324433       0.5080373 5.291984       0.7420787 5.353060       0.6969861 -0.1351166     2.208878  
1 1 1 -12 7  43 o 38.71498 0.9844770 14.75965       0.7558234 17.45676       1.156789  12.75053       0.9984068 6.069336       1.968954  
1 1 1 -12 7  44 o 84.36128 1.400429  71.40960       2.362539  70.70476       3.309296  72.14223       3.373909  -0.8461685     2.800858  
1 1 1 -12 7  45 o 43.36243 1.003458  18.79191       0.8690763 19.83679       1.269395  17.87003       1.192339  2.262390       2.006917  
1 1 1 -12 7  46 o 47.43641 0.8888908 22.45730       0.7901952 22.77944       1.389962  22.30347       0.9605107 0.4727821      1.777782  
1 1 1 -12 7  47 f 72.50591 0.9628717 52.75668       1.383613  52.17247       2.096890  53.20719       1.841365  -0.7344589     1.925743  
1 1 1 -12 7  48 f 25.42868 0.7827147 6.399469       0.3954845 7.478400       0.5953937 5.547547       0.5290628 3.791586       1.565429  
1 1 1 -12 7  49 f 76.81544 0.9348360 59.13126       1.435630  60.10741       2.065386  58.21875       1.996918  1.222633       1.869672  
1 1 1 -12 7  50 o 40.38774 0.7323074 16.33415       0.5913981 15.87956       0.8284369 16.80657       0.8445215 -1.146297      1.464615  
1 1 1 -12 7  51 o 76.66426 0.9390010 58.95221       1.439700  58.45601       2.025222  59.45917       2.047041  -0.6517105     1.878002  
1 1 1 -12 7  52 o 36.20083 0.8257643 13.00614       0.5832293 13.73029       0.9453261 12.56110       0.7410852 1.592216       1.651529  
1 1 1 -12 7  53 o 48.90646 0.7816291 23.94497       0.7633981 24.52925       1.115570  23.43040       1.046914  1.115860       1.563258  
1 1 1 -12 7  54 o 24.81553 0.8784311 6.133338       0.4340595 6.652860       0.6523381 5.720572       0.5814627 1.869267       1.756862  
1 1 1 -12 7  55 f 18.90955 1.083207  3.549975       0.4050843 4.392281       0.6080958 2.877999       0.5431425 3.992367       2.166415  
1 1 1 -12 7  56 o 37.25497 0.8196541 13.83186       0.6076722 14.83852       0.9165366 13.04225       0.8117326 2.395630       1.639308  
1 1 1 -12 7  57 f 33.11729 1.322422  11.15641       0.7378559 11.23521       0.8431757 10.89876       1.524629  0.6657982      2.644843  
1 1 1 -12 7  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 8  1  o 140.8828 2.130068  196.3054       5.945240  214.7735       9.196673  183.0465       7.792420  11.24675       4.260136  
1 1 1 -12 8  2  o 116.6575 1.791117  136.0552       4.176681  133.6257       5.793510  138.6844       6.026834  -2.166344      3.582234  
1 1 1 -12 8  3  o 306.4577 3.191290  940.2631       19.55895  945.2800       27.82480  935.3630       27.49914  1.613586       6.382579  
1 1 1 -12 8  4  o 225.1585 2.353004  506.9346       10.58916  497.7820       14.66551  516.9039       15.30568  -4.239975      4.706008  
1 1 1 -12 8  5  o 192.8524 2.026090  371.7971       7.809008  379.6568       11.30413  364.6223       10.80030  3.893661       4.052180  
1 1 1 -12 8  6  o 364.1233 3.783725  1328.102       27.55462  1324.426       38.87365  1331.813       39.06329  -1.011383      7.567450  
1 1 1 -12 8  7  o 216.2158 2.260532  467.0214       9.761700  481.5024       14.26151  454.2563       13.38993  6.292297       4.521064  
1 1 1 -12 8  8  o 233.2291 2.434638  543.0203       11.33261  563.9299       16.68722  525.1220       15.43894  8.306549       4.869277  
1 1 1 -12 8  9  o 66.28875 0.7804697 43.92486       1.034365  44.68402       1.486817  43.21282       1.439935  1.109528       1.560939  
1 1 1 -12 8  10 o 85.46677 0.9553126 72.53056       1.623889  77.86391       2.457697  68.39800       2.163401  5.536491       1.910625  
1 1 1 -12 8  11 o 237.1537 2.475406  562.8623       11.74071  560.6395       16.53084  565.1248       16.67788  -0.9439240     4.950811  
1 1 1 -12 8  12 o 84.79688 0.9523878 70.71328       1.595176  79.41778       2.505894  64.78294       2.068383  8.627296       1.904776  
1 1 1 -12 8  13 o 32.34492 0.6059437 10.51267       0.3866451 10.14283       0.5924131 10.78711       0.5103216 -0.9962101     1.211887  
1 1 1 -12 8  14 o 48.55808 0.6974683 23.55006       0.6688386 23.77209       1.033218  23.38991       0.8775042 0.3929520      1.394937  
1 1 1 -12 8  15 o 102.4534 1.594810  104.0489       3.244487  112.7985       4.958803  97.49942       4.290258  7.460342       3.189619  
1 1 1 -12 8  16 o 270.9139 2.826159  734.9286       15.31275  732.3254       21.59377  737.5618       21.71775  -0.9643555     5.652318  
1 1 1 -12 8  17 o 47.55987 0.6385821 22.33575       0.6029671 20.33625       0.7960089 25.02759       0.9235932 -4.931507      1.277164  
1 1 1 -12 8  18 o 55.61446 0.6970826 30.93168       0.7753448 30.73608       1.092849  31.12992       1.100194  -0.3540497     1.394165  
1 1 1 -12 8  19 o 250.9183 2.619761  630.3289       13.14312  638.7325       18.85973  622.3941       18.32611  3.245010       5.239522  
1 1 1 -12 8  20 o 62.97470 0.7611880 39.13427       0.9501686 43.58964       1.468050  35.92239       1.246461  6.086205       1.522376  
1 1 1 -12 8  21 o 296.2615 3.087280  879.5773       18.29252  882.4071       25.96164  876.7874       25.77839  0.9439087      6.174560  
1 1 1 -12 8  22 o 64.43718 0.7775794 40.93921       0.9918249 45.55952       1.542348  37.68137       1.295125  6.111561       1.555159  
1 1 1 -12 8  23 o 161.4993 1.711302  260.9948       5.527472  261.0871       7.810398  260.9022       7.823671  0.5743408E-01  3.422604  
1 1 1 -12 8  24 o 193.9783 2.039401  376.3121       7.905805  385.0392       11.45504  368.3743       10.92479  4.286163       4.078803  
1 1 1 -12 8  25 f 113.7731 1.235983  129.4868       2.812297  130.1920       4.000706  128.7980       3.954081  0.6121216      2.471966  
1 1 1 -12 8  26 o 175.2443 1.849286  307.3225       6.480370  304.0549       9.062001  310.7424       9.270823  -1.904373      3.698572  
1 1 1 -12 8  27 o 236.6759 2.476985  561.1241       11.72428  564.2404       16.67992  558.0809       16.48310  1.296234       4.953970  
1 1 1 -12 8  28 o 104.1719 1.146673  108.3125       2.384706  112.5352       3.501664  104.6602       3.256619  3.776756       2.293346  
1 1 1 -12 8  29 f 91.93744 1.031670  84.18095       1.890580  88.93735       2.816983  80.28268       2.550241  4.703621       2.063340  
1 1 1 -12 8  30 o 176.3544 1.864992  311.1111       6.572951  318.5797       9.522377  304.3139       9.084209  4.034027       3.729985  
1 1 1 -12 8  31 o 227.2712 2.910333  521.0126       12.58407  509.7643       21.27167  527.0687       15.60833  -4.051666      5.820667  
1 1 1 -12 8  32 o 139.4592 2.111670  194.7438       5.886154  198.7918       8.506472  191.0250       8.153313  2.772461       4.223341  
1 1 1 -12 8  33 o 26.01305 0.9092091 6.640826       0.4675952 8.238533       0.7146909 5.445052       0.6182932 5.367737       1.818418  
1 1 1 -12 8  34 o 59.31465 1.057756  35.20441       1.254698  35.39191       1.788235  35.02260       1.760902  0.3106766      2.115513  
1 1 1 -12 8  35 o 25.43715 0.7916387 6.314341       0.3849912 5.962456       0.4729666 7.005337       0.6627773 -2.046154      1.583277  
1 1 1 -12 8  36 o 119.4826 1.302694  142.8525       3.111030  139.9446       4.308603  146.0199       4.496745  -2.535034      2.605387  
1 1 1 -12 8  37 o 67.08832 0.8239258 44.88071       1.102883  47.24187       1.629669  42.88552       1.498055  3.243103       1.647852  
1 1 1 -12 8  38 o 16.72994 0.8614353 2.840517       0.2831072 2.250709       0.4036663 3.411470       0.3971610 -3.469316      1.722871  
1 1 1 -12 8  39 o 129.6924 1.405506  168.5731       3.644990  166.6131       5.095701  170.6267       5.215991  -1.539917      2.811013  
1 1 1 -12 8  40 o 101.9562 1.139404  103.7157       2.316441  99.11043       3.132869  109.2701       3.440596  -4.966049      2.278809  
1 1 1 -12 8  41 o 65.17229 1.145060  42.54780       1.492354  42.98153       2.130104  42.12968       2.091441  0.6512756      2.290120  
1 1 1 -12 8  42 o 77.48680 0.9228966 59.59273       1.421586  64.82484       2.159927  55.59420       1.888211  5.942604       1.845793  
1 1 1 -12 8  43 o 53.76260 0.7481494 28.92972       0.8044217 29.13934       1.143406  28.72429       1.131929  0.3854866      1.496299  
1 1 1 -12 8  44 o 12.79841 1.202634  1.683861       0.2887562 1.156632       0.3990068 2.263611       0.4184094 -4.465113      2.405269  
1 1 1 -12 8  45 o 33.45775 0.7054890 11.19732       0.4714798 10.42840       0.6576504 12.01043       0.6762863 -2.363285      1.410978  
1 1 1 -12 8  46 o 56.19379 0.9618301 30.14437       0.9787213 28.29250       1.144360  35.18865       1.888676  -6.077717      1.923660  
1 1 1 -12 8  47 o 14.50897 1.439929  2.139056       0.4128238 2.316416       0.5581908 1.924919       0.6133407 1.356254       2.879858  
1 1 1 -12 8  48 o 39.63013 1.026844  15.74673       0.8137002 15.37684       1.137006  16.13506       1.164997  -0.9536705     2.053689  
1 1 1 -12 8  49 o 59.63936 1.148747  35.51829       1.366072  38.26600       2.030517  33.24625       1.846414  4.185577       2.297494  
1 1 1 -12 8  50 f 71.02782 1.273254  50.71207       1.808374  50.16657       2.527640  51.28405       2.588291  -0.7774963     2.546507  
1 1 1 -12 8  51 o 39.85689 1.061828  15.90334       0.8451362 14.99428       1.158241  16.93845       1.235945  -2.428207      2.123655  
1 1 1 -12 8  52 o 28.74167 1.043710  8.251716       0.5896699 8.528789       0.9303536 8.065674       0.7623532 0.7818069      2.087420  
1 1 1 -12 8  53 o 43.69344 0.9264621 18.11572       0.7444683 21.82030       1.406095  16.67272       0.8775631 5.819500       1.852924  
1 1 1 -12 8  54 o 80.84611 0.9970163 65.50838       1.608955  67.70087       2.364408  63.61752       2.195753  2.499573       1.994033  
1 1 1 -12 8  55 o 59.28478 0.8488384 35.10427       1.003029  37.23589       1.495368  33.36082       1.352380  3.247040       1.697677  
1 1 1 -12 8  56 o 47.02744 0.8106878 22.13207       0.7603402 22.90646       1.125643  21.48227       1.031129  1.500648       1.621376  
1 1 1 -12 8  57 o 18.73858 2.118289  3.553949       0.7938749 3.553949       0.7938749 ?              ?         ?              ?         
1 1 1 -12 8  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 9  1  o 326.8510 4.818245  1071.556       31.48760  1057.622       43.89505  1086.327       45.19371  -4.358948      9.636490  
1 1 1 -12 9  2  o 430.4652 6.344625  1862.999       54.60570  1888.564       78.40208  1838.914       76.09771  5.693268       12.68925  
1 1 1 -12 9  3  f 387.1855 4.030281  1502.530       31.20886  1498.267       43.99240  1506.850       44.28100  -1.102570      8.060562  
1 1 1 -12 9  4  o 271.3113 2.829545  736.8784       15.35300  732.8758       21.58528  740.9767       21.84183  -1.489349      5.659090  
1 1 1 -12 9  5  o 144.3790 1.531919  208.5141       4.423412  209.3897       6.284027  207.6541       6.227654  0.6006317      3.063838  
1 1 1 -12 9  6  f 281.3436 2.930110  792.3828       16.48540  785.9148       23.10237  799.0932       23.53129  -2.335846      5.860220  
1 1 1 -12 9  7  o 360.8804 3.754110  1304.812       27.09303  1297.056       38.00536  1312.826       38.63300  -2.173187      7.508220  
1 1 1 -12 9  8  f 231.1953 2.415205  534.9301       11.16721  537.7766       15.88040  532.1456       15.70667  1.215698       4.830409  
1 1 1 -12 9  9  f 57.50614 0.8304867 32.41615       0.9425907 29.25734       1.218539  37.12223       1.487334  -6.837147      1.660973  
1 1 1 -12 9  10 o 323.6341 3.366409  1048.766       21.78255  1063.611       31.28676  1034.802       30.34517  4.434235       6.732818  
1 1 1 -12 9  11 o 238.6110 2.491645  568.4432       11.86461  590.8027       17.48483  549.3617       16.15244  8.665787       4.983290  
1 1 1 -12 9  12 o 93.91176 1.037259  88.20222       1.948095  87.61322       2.736668  88.80729       2.773752  -0.6355133     2.074518  
1 1 1 -12 9  13 o 94.45586 1.043756  88.66901       1.962152  94.77341       2.956528  83.86384       2.623101  5.772911       2.087512  
1 1 1 -12 9  14 f 78.56953 0.8959898 60.99545       1.395678  67.26900       2.153080  56.44891       1.832922  6.883896       1.791980  
1 1 1 -12 9  15 o 156.1652 2.347348  244.1024       7.330825  242.4053       10.28572  245.8546       10.45096  -1.101822      4.694697  
1 1 1 -12 9  16 o 136.9080 1.589978  183.9039       4.206706  201.3047       7.042472  174.2509       5.245316  9.860077       3.179956  
1 1 1 -12 9  17 o 214.0010 2.242679  458.4371       9.598287  456.1801       13.49889  460.7452       13.65044  -1.064041      4.485357  
1 1 1 -12 9  18 o 109.2502 1.186852  119.1856       2.589640  123.1545       3.784822  115.6919       3.550963  3.413155       2.373704  
1 1 1 -12 9  19 o 80.50069 0.9131626 64.71436       1.468451  66.80663       2.140839  62.85529       2.018008  2.453331       1.826325  
1 1 1 -12 9  20 f 248.5443 2.595590  618.6647       12.90238  618.9071       18.24958  618.4223       18.24387  0.9741211E-01  5.191180  
1 1 1 -12 9  21 o 53.29470 0.6941333 28.39384       0.7397060 27.78489       1.033058  29.03454       1.059653  -1.172256      1.388267  
1 1 1 -12 9  22 o 233.4920 2.441776  545.6248       11.39684  555.5271       16.43552  536.4535       15.81738  4.071915       4.883551  
1 1 1 -12 9  23 o 229.1232 2.397953  524.5504       10.96740  543.8747       16.11919  507.8933       14.96547  7.827515       4.795906  
1 1 1 -12 9  24 o 222.6077 2.331162  496.2056       10.37807  493.1785       14.58150  499.3131       14.77401  -1.373779      4.662324  
1 1 1 -12 9  25 o 55.65342 0.7214405 30.10527       0.7889672 35.74639       1.268894  26.54984       1.007369  8.260502       1.442881  
1 1 1 -12 9  26 f 231.8460 2.428919  538.4548       11.26260  539.2757       15.96624  537.6419       15.88948  0.3504181      4.857837  
1 1 1 -12 9  27 o 137.2233 1.469967  188.4227       4.034139  189.1582       5.732949  187.7012       5.677720  0.5300140      2.939934  
1 1 1 -12 9  28 o 150.3714 1.966704  226.5986       5.577256  225.8222       9.647607  226.9883       6.835143  -0.4515228     3.933408  
1 1 1 -12 9  29 o 189.4473 2.826744  359.9038       10.70920  363.2683       15.28305  356.6581       15.01080  1.734619       5.653487  
1 1 1 -12 9  30 o 39.56242 0.8823801 15.63890       0.6975819 16.07570       1.012272  15.24386       0.9626564 1.050648       1.764760  
1 1 1 -12 9  31 o 174.4455 2.608799  305.0602       9.096668  310.9727       13.13258  299.6068       12.61245  3.235703       5.217597  
1 1 1 -12 9  32 o 65.26080 0.9841541 41.28226       1.178337  39.41481       1.394998  45.93288       2.201430  -4.979370      1.968308  
1 1 1 -12 9  33 o 93.23497 1.049691  86.90372       1.955815  88.97826       2.834309  85.01794       2.702292  2.120811       2.099383  
1 1 1 -12 9  34 o 117.7307 1.285368  138.4032       3.020276  133.5008       4.114941  144.1287       4.446988  -4.503174      2.570736  
1 1 1 -12 9  35 o 77.47116 0.9117878 59.97865       1.411372  61.80113       2.051582  58.34116       1.944670  2.230240       1.823576  
1 1 1 -12 9  36 o 27.93367 0.6591648 7.800382       0.3676791 7.209446       0.5126442 8.426380       0.5276332 -2.177933      1.318330  
1 1 1 -12 9  37 o 47.17596 0.6873171 22.26495       0.6484561 22.37539       0.9231281 22.15736       0.9111010 0.2307892      1.374634  
1 1 1 -12 9  38 o 56.07075 0.7445018 30.98117       0.8270651 34.98776       1.281415  28.12031       1.082803  6.117607       1.489004  
1 1 1 -12 9  39 o 86.63107 0.9958562 74.87761       1.720854  78.68658       2.548661  71.68616       2.332932  4.030556       1.991712  
1 1 1 -12 9  40 o 25.63847 0.7930169 6.467402       0.3989859 7.139894       0.6406440 6.041291       0.5099577 2.137362       1.586034  
1 1 1 -12 9  41 o 52.89081 0.7429068 27.84953       0.7837667 25.77442       1.063819  30.31313       1.159131  -4.286846      1.485814  
1 1 1 -12 9  42 o 91.03484 1.046725  83.01494       1.905601  83.37868       2.715447  82.66201       2.674866  0.3911896      2.093450  
1 1 1 -12 9  43 o 62.72921 0.8137336 39.28170       1.019264  37.31622       1.394323  41.53740       1.493718  -3.359226      1.627467  
1 1 1 -12 9  44 o 17.21637 0.9607748 2.998513       0.3266187 2.469438       0.4646375 3.515339       0.4592273 -3.037881      1.921550  
1 1 1 -12 9  45 o 47.36049 0.7330575 22.21200       0.6905435 19.92528       0.9215555 25.13998       1.042796  -5.498348      1.466115  
1 1 1 -12 9  46 o 41.23468 0.7132581 16.97322       0.5867743 17.71861       0.8670771 16.34344       0.7969940 1.663185       1.426516  
1 1 1 -12 9  47 o 37.80556 0.7194196 14.29441       0.5433097 13.34066       0.7548266 15.31973       0.7826400 -2.615459      1.438839  
1 1 1 -12 9  48 o 71.93294 0.8985491 51.55698       1.286984  55.07098       1.933388  48.76097       1.724596  4.366287       1.797098  
1 1 1 -12 9  49 o 18.98465 0.9646860 3.544207       0.3626078 4.279609       0.5579101 3.006360       0.4771243 3.344496       1.929372  
1 1 1 -12 9  50 o 45.34235 0.7582807 20.60457       0.6869964 19.45848       0.9663100 21.77590       0.9768957 -2.554478      1.516561  
1 1 1 -12 9  51 o 46.29423 0.7683244 21.47477       0.7102782 21.56794       1.034696  21.39174       0.9767744 0.1843185      1.536649  
1 1 1 -12 9  52 o 43.44447 0.7710980 18.87112       0.6684549 17.14892       0.9224620 20.77542       0.9700050 -4.168575      1.542196  
1 1 1 -12 9  53 o 39.47015 0.9417605 15.54911       0.7114353 15.34012       0.8830439 15.93569       1.200988  -0.7108574     1.883521  
1 1 1 -12 9  54 o 35.89457 0.9962106 12.42165       0.6815944 11.34216       0.8302406 14.65322       1.193715  -4.552414      1.992421  
1 1 1 -12 9  55 f 13.84885 1.903868  1.985553       0.5149591 3.156972       0.7679550 1.028476       0.6941494 7.630617       3.807736  
1 1 1 -12 9  56 o 38.10918 1.531157  12.82496       0.9800509 11.46856       1.093816  18.34696       2.206980  -8.715069      3.062314  
1 1 1 -12 9  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 10 1  f 583.9071 8.654977  3451.556       101.0388  3403.193       140.6909  3503.067       145.1966  -8.317566      17.30995  
1 1 1 -12 10 2  o 200.1403 2.979351  401.1500       11.92571  402.1805       16.89612  400.1269       16.83504  0.5119629      5.958701  
1 1 1 -12 10 3  o 338.0057 3.520331  1144.762       23.79715  1140.344       33.50295  1149.260       33.80762  -1.312653      7.040663  
1 1 1 -12 10 4  o 258.6580 2.697945  669.5505       13.95198  679.8120       20.05234  659.9213       19.42479  3.835266       5.395890  
1 1 1 -12 10 5  o 115.9309 1.251638  133.6773       2.888567  127.0976       3.867711  141.9762       4.343696  -6.413605      2.503275  
1 1 1 -12 10 6  o 333.1498 3.466889  1111.966       23.09811  1105.448       32.43065  1118.675       32.90587  -1.975708      6.933778  
1 1 1 -12 10 7  o 230.1400 2.405044  530.1454       11.06993  529.9153       15.64571  530.3760       15.66480  -0.9983826E-01 4.810087  
1 1 1 -12 10 8  f 254.5902 2.655421  648.3169       13.51013  634.6827       18.66609  663.3173       19.57900  -5.609421      5.310843  
1 1 1 -12 10 9  o 163.5957 1.729017  267.7713       5.657193  267.8852       8.001085  267.6575       7.999873  0.6959534E-01  3.458034  
1 1 1 -12 10 10 o 373.7433 3.886022  1399.865       29.03555  1378.733       40.37681  1422.497       41.78430  -5.820953      7.772044  
1 1 1 -12 10 11 o 133.3412 1.426760  177.8331       3.804313  176.2083       5.323823  179.5285       5.438223  -1.243942      2.853520  
1 1 1 -12 10 12 o 214.6713 2.247381  460.3586       9.632492  476.2956       14.12467  446.5028       13.17016  6.924789       4.494762  
1 1 1 -12 10 13 o 139.1155 1.482738  192.4720       4.105302  204.7597       6.183115  182.7845       5.490033  7.890930       2.965476  
1 1 1 -12 10 14 o 247.6274 2.586895  613.2045       12.79668  630.8022       18.64623  597.5369       17.59404  6.696579       5.173790  
1 1 1 -12 10 15 o 92.41784 1.024847  85.16109       1.889602  89.10596       2.793198  81.83226       2.565853  3.933411       2.049693  
1 1 1 -12 10 16 o 196.4056 2.062288  386.1190       8.100781  387.2436       11.49280  385.0087       11.42001  0.5677185      4.124576  
1 1 1 -12 10 17 o 141.9152 1.512070  200.6508       4.276651  191.9702       5.765645  211.2684       6.376593  -6.791763      3.024141  
1 1 1 -12 10 18 o 145.9520 1.552235  213.0916       4.530308  215.3579       6.476933  210.9209       6.338940  1.518341       3.104470  
1 1 1 -12 10 19 o 215.4010 2.258632  462.3188       9.691024  441.7854       13.02504  487.7812       14.50435  -10.65073      4.517263  
1 1 1 -12 10 20 f 278.3792 3.137488  776.8160       17.29132  777.4793       22.88980  775.9345       26.38909  0.3666382      6.274976  
1 1 1 -12 10 21 f 207.0356 2.173943  429.0686       9.000426  432.8666       12.85630  425.4178       12.60448  1.794174       4.347886  
1 1 1 -12 10 22 o 159.5833 1.691308  254.2792       5.387833  263.7616       7.917301  246.1002       7.353044  5.524979       3.382616  
1 1 1 -12 10 23 o 57.75846 0.7429720 33.35851       0.8581714 32.82349       1.203738  33.91151       1.223786  -0.9417305     1.485944  
1 1 1 -12 10 24 o 382.7871 4.919895  1464.124       35.07348  1505.834       62.60256  1445.042       42.34295  6.962799       9.839789  
1 1 1 -12 10 25 o 142.7799 2.157516  201.0000       6.081200  185.9333       7.878183  223.2118       9.565553  -13.01588      4.315033  
1 1 1 -12 10 26 f 256.9189 3.803451  663.0290       19.54211  667.6782       27.84098  658.5137       27.43689  1.766388       7.606902  
1 1 1 -12 10 27 o 137.4510 2.077499  189.0151       5.706164  193.4902       8.277514  184.9627       7.876854  3.092072       4.154998  
1 1 1 -12 10 28 o 129.7858 1.702924  169.7071       4.217582  172.3176       5.253715  164.9752       7.073229  2.869232       3.405848  
1 1 1 -12 10 29 o 111.8999 1.227867  124.1172       2.727544  134.6846       4.175069  116.2490       3.602597  8.226837       2.455734  
1 1 1 -12 10 30 o 71.90005 0.8608844 51.66396       1.236916  52.87183       1.793660  50.56870       1.708007  1.600426       1.721769  
1 1 1 -12 10 31 o 162.7663 1.729027  265.3379       5.628403  266.2151       7.993306  264.4753       7.926640  0.5323334      3.458053  
1 1 1 -12 10 32 o 36.58450 0.6544825 13.39630       0.4783154 13.19415       0.6904320 13.58285       0.6632658 -0.5316162     1.308965  
1 1 1 -12 10 33 o 119.1085 1.297778  141.3713       3.080332  134.7378       4.148745  149.5205       4.598362  -6.191322      2.595555  
1 1 1 -12 10 34 o 58.95290 0.7637904 34.77232       0.9005110 34.43013       1.274684  35.11325       1.272348  -0.5794258     1.527581  
1 1 1 -12 10 35 o 43.38737 0.6709137 18.73834       0.5803061 19.98450       0.8641223 17.71469       0.7831875 2.613979       1.341827  
1 1 1 -12 10 36 o 110.4459 1.216791  122.0539       2.686059  119.3355       3.718599  125.0198       3.884129  -2.566299      2.433582  
1 1 1 -12 10 37 o 40.38351 0.6761324 15.97534       0.5401642 13.42657       0.7095265 19.48903       0.8330765 -7.502644      1.352265  
1 1 1 -12 10 38 o 80.04565 0.9411184 64.13165       1.506315  64.77633       2.157137  63.51815       2.104345  0.7836685      1.882237  
1 1 1 -12 10 39 o 82.78127 0.9662558 68.54928       1.598824  66.74319       2.215240  70.51299       2.309887  -2.272530      1.932512  
1 1 1 -12 10 40 o 78.60948 0.9341346 61.67904       1.465027  64.56315       2.165421  59.24460       1.989467  3.374191       1.868269  
1 1 1 -12 10 41 o 79.39543 0.9426185 63.06403       1.495937  61.37080       2.073132  64.90337       2.160737  -2.220070      1.885237  
1 1 1 -12 10 42 o 42.84695 1.000108  18.09081       0.8499045 21.03369       1.305617  15.92675       1.119604  5.947701       2.000217  
1 1 1 -12 10 43 o 74.65854 0.9058912 55.83030       1.352624  55.40047       1.912037  56.26090       1.913763  -0.5761337     1.811782  
1 1 1 -12 10 44 o 26.73146 0.7509024 6.984514       0.3959695 8.830809       0.6118379 5.653883       0.5194153 5.937130       1.501805  
1 1 1 -12 10 45 o 42.57121 0.7137663 18.11767       0.6066823 18.58988       0.8886732 17.70551       0.8302591 1.035202       1.427533  
1 1 1 -12 10 46 o 114.4077 1.273878  131.2927       2.912309  127.8209       4.018392  135.1338       4.226758  -3.171188      2.547757  
1 1 1 -12 10 47 o 49.80209 0.7566146 24.67512       0.7502986 26.62105       1.127601  23.12903       1.005098  3.496243       1.513229  
1 1 1 -12 10 48 o 56.12185 0.7926020 31.55538       0.8890912 31.63492       1.280924  31.48144       1.235060  0.1327362      1.585204  
1 1 1 -12 10 49 o 38.33166 0.7407097 14.66585       0.5662052 15.41163       0.8402221 14.04545       0.7663384 1.775467       1.481419  
1 1 1 -12 10 50 o 48.66557 0.7723157 23.73919       0.7514266 23.60638       1.075721  23.86575       1.050098  -0.2690849     1.544631  
1 1 1 -12 10 51 o 44.64293 0.7701123 19.93802       0.6862268 18.23170       0.9500911 21.79903       0.9922220 -3.990982      1.540225  
1 1 1 -12 10 52 o 24.03983 0.9021358 5.832008       0.4311910 5.252722       0.6210661 6.371076       0.5991182 -2.328917      1.804272  
1 1 1 -12 10 53 f 40.64248 0.7856380 16.44875       0.6354074 14.32538       0.8630373 18.96215       0.9389594 -5.695122      1.571276  
1 1 1 -12 10 54 o 25.23460 0.9195135 6.432406       0.4584551 5.242930       0.6434026 7.659212       0.6534203 -4.786047      1.839027  
1 1 1 -12 10 55 o 51.40159 0.9034095 26.49916       0.9207295 26.30231       1.222304  26.75736       1.399909  -0.4142647     1.806819  
1 1 1 -12 10 56 f 49.15893 1.299345  23.90304       1.141436  23.32912       1.334004  25.47164       2.205416  -1.966965      2.598690  
1 1 1 -12 10 57 o 7.117355 3.394470  -1.626321      1.330326  -1.626321      1.330326  ?              ?         ?              ?         
1 1 1 -12 10 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 11 1  o 76.18336 1.263115  57.95087       1.922192  60.15811       2.804701  55.99586       2.639587  2.730194       2.526230  
1 1 1 -12 11 2  o 256.9089 3.804523  661.1522       19.52706  645.5544       26.87850  678.5862       28.41650  -6.386597      7.609046  
1 1 1 -12 11 3  o 119.5602 1.836224  143.0421       4.390754  142.8409       6.196014  143.2450       6.223000  -0.1686401     3.672447  
1 1 1 -12 11 4  o 100.4560 1.575350  100.9626       3.165013  100.7848       4.461343  101.1428       4.490811  -0.1778488     3.150699  
1 1 1 -12 11 5  o 65.24724 1.038574  42.67865       1.324086  42.11921       2.104071  43.04546       1.703740  -0.7126923     2.077148  
1 1 1 -12 11 6  o 255.3317 2.665567  652.8558       13.61201  654.2485       19.28688  651.4737       19.21391  0.5419922      5.331134  
1 1 1 -12 11 7  f 290.6121 3.026821  845.7878       17.58697  857.8430       25.25692  834.4410       24.50366  4.010223       6.053642  
1 1 1 -12 11 8  o 272.7659 2.846269  745.1335       15.52517  739.3544       21.74429  751.1432       22.17381  -2.152191      5.692539  
1 1 1 -12 11 9  o 113.9533 1.232950  129.1024       2.796154  137.5912       4.213068  122.4196       3.738118  6.652634       2.465900  
1 1 1 -12 11 10 o 76.63045 0.8774446 58.45654       1.340227  61.97200       1.997615  55.57881       1.807367  4.170189       1.754889  
1 1 1 -12 11 11 o 225.8056 2.362140  509.9038       10.65685  523.2064       15.49416  497.9612       14.68083  5.575134       4.724280  
1 1 1 -12 11 12 o 312.8859 3.259400  981.3098       20.39629  979.7159       28.78795  982.9164       28.90181  -0.5085144     6.518799  
1 1 1 -12 11 13 f 47.63786 0.6413808 22.39651       0.6061901 25.08239       0.9321880 20.42850       0.7979459 4.883953       1.282762  
1 1 1 -12 11 14 o 120.6400 1.851349  145.6523       4.466904  145.3233       6.302957  145.9843       6.331450  -0.2735443     3.702698  
1 1 1 -12 11 15 o 257.8000 2.690846  665.0912       13.86331  680.0347       20.08229  651.4868       19.16147  5.517273       5.381692  
1 1 1 -12 11 16 o 243.0027 2.539574  590.2674       12.32339  609.7567       18.03806  573.2088       16.87576  7.497086       5.079147  
1 1 1 -12 11 17 o 276.0381 2.879342  763.2704       15.89420  757.0159       22.27019  769.7638       22.69133  -2.299530      5.758684  
1 1 1 -12 11 18 o 293.6588 3.060875  863.7174       17.96790  849.0041       24.93879  879.5989       25.90993  -5.184784      6.121751  
1 1 1 -12 11 19 o 248.3821 2.596975  617.6366       12.89481  608.0533       17.91289  627.9441       18.57730  -3.989090      5.193950  
1 1 1 -12 11 20 o 375.5502 3.910480  1415.501       29.36499  1399.338       41.01017  1432.508       42.06672  -4.378967      7.820961  
1 1 1 -12 11 21 f 288.4215 3.695030  832.5464       20.00453  841.5396       35.03967  828.1979       24.36569  1.952057       7.390061  
1 1 1 -12 11 22 o 422.9744 6.264277  1805.558       52.91821  1860.695       77.31898  1756.972       72.58082  11.97141       12.52855  
1 1 1 -12 11 23 o 99.10767 1.539853  97.37975       3.030598  91.12000       4.008163  105.7353       4.630767  -7.363487      3.079706  
1 1 1 -12 11 24 o 26.28973 0.8516955 6.933040       0.4457411 6.154155       0.6295481 7.716021       0.6312015 -2.970474      1.703391  
1 1 1 -12 11 25 o 86.51428 1.218181  70.91665       1.874733  66.63992       2.167696  83.60877       3.734310  -9.785316      2.436362  
1 1 1 -12 11 26 o 185.5105 1.956571  344.4782       7.257047  349.3065       10.41891  339.9284       10.11391  2.520279       3.913141  
1 1 1 -12 11 27 o 87.75397 0.9969286 76.96608       1.748409  78.82430       2.531674  75.27165       2.417522  2.022621       1.993857  
1 1 1 -12 11 28 o 54.65751 0.7235123 29.78642       0.7892829 31.33002       1.162647  28.46694       1.074935  2.618126       1.447025  
1 1 1 -12 11 29 o 15.95336 0.9059383 2.512158       0.2856396 3.128942       0.4295503 2.023219       0.3824504 3.464785       1.811877  
1 1 1 -12 11 30 o 61.15959 0.7744842 37.41064       0.9472597 36.81766       1.329807  38.02147       1.349669  -0.9838600     1.548968  
1 1 1 -12 11 31 o 232.8859 2.445403  544.2036       11.38663  536.9998       15.87368  551.8395       16.34283  -3.160599      4.890806  
1 1 1 -12 11 32 o 90.07578 1.022743  80.50941       1.831182  75.37581       2.431823  87.23228       2.782904  -6.572525      2.045485  
1 1 1 -12 11 33 o 62.76810 0.7888054 39.40985       0.9899105 39.73509       1.420711  39.10295       1.380064  0.5026321      1.577611  
1 1 1 -12 11 34 o 68.71454 0.8379424 47.04717       1.148685  44.50015       1.558370  50.07749       1.699803  -4.054451      1.675885  
1 1 1 -12 11 35 o 51.89060 0.7175731 26.93967       0.7446595 26.53130       1.050685  27.35184       1.055547  -0.7905273     1.435146  
1 1 1 -12 11 36 o 81.05476 0.9462976 65.68913       1.532538  67.45272       2.227266  64.10334       2.111997  2.061630       1.892595  
1 1 1 -12 11 37 o 85.61511 0.9897354 73.35281       1.693936  74.58087       2.440382  72.21095       2.353172  1.380150       1.979471  
1 1 1 -12 11 38 o 126.8589 1.381201  160.7663       3.494418  154.0736       4.731933  168.7941       5.182444  -5.771980      2.762403  
1 1 1 -12 11 39 f 53.15034 0.9456369 28.53593       0.9949539 24.21063       1.422419  32.67953       1.392221  -7.968410      1.891274  
1 1 1 -12 11 40 o 27.00229 0.7192616 7.295844       0.3875364 7.315903       0.5680597 7.278379       0.5300329 0.6797028E-01  1.438523  
1 1 1 -12 11 41 o 89.59637 1.031650  80.38130       1.847733  81.71552       2.663140  79.14288       2.565757  1.429489       2.063300  
1 1 1 -12 11 42 o 49.34948 0.7298705 24.38674       0.7200097 24.12246       1.031550  24.63783       1.005447  -0.5235062     1.459741  
1 1 1 -12 11 43 o 34.49559 0.7058738 11.73840       0.4833309 13.46612       0.7399065 10.45242       0.6383494 4.363045       1.411748  
1 1 1 -12 11 44 o 30.11873 0.7253841 9.086775       0.4362924 9.001305       0.6330705 9.164089       0.6021140 -0.2720909     1.450768  
1 1 1 -12 11 45 o 38.71053 0.7148210 14.94607       0.5517634 13.41724       0.7568273 16.68056       0.8061265 -4.211857      1.429642  
1 1 1 -12 11 46 o 49.71433 0.7506051 24.75485       0.7459255 24.77660       1.072617  24.73449       1.038029  0.3969193E-01  1.501210  
1 1 1 -12 11 47 f 66.70513 0.8612815 44.46319       1.147230  42.17973       1.570004  47.07932       1.680480  -3.662369      1.722563  
1 1 1 -12 11 48 f 25.45640 0.8626661 6.583142       0.4272214 4.774466       0.5970183 8.481313       0.6116105 -7.279341      1.725332  
1 1 1 -12 11 49 o 57.99524 0.8129740 33.69814       0.9422664 34.12947       1.362746  33.30301       1.304306  0.7064476      1.625948  
1 1 1 -12 11 50 o 59.01344 0.8263405 34.61975       0.9708837 31.75929       1.300206  38.22483       1.459659  -5.460125      1.652681  
1 1 1 -12 11 51 o 33.98847 0.7845808 11.58129       0.5318230 11.57722       0.7819932 11.58479       0.7254124 -0.1749039E-01 1.569162  
1 1 1 -12 11 52 o 76.51257 0.9574297 58.74927       1.464514  59.37772       2.105828  58.16058       2.038102  0.7857437      1.914859  
1 1 1 -12 11 53 o 24.02783 0.9275432 5.859548       0.4407665 5.024068       0.6374720 6.624831       0.6101042 -3.335310      1.855086  
1 1 1 -12 11 54 o 57.83976 0.8430752 33.55101       0.9744061 34.07138       1.412324  33.07829       1.346097  0.8486404      1.686150  
1 1 1 -12 11 55 o 50.29915 0.9020783 24.50160       0.8823273 21.82178       1.102843  29.26730       1.470702  -7.340073      1.804157  
1 1 1 -12 11 56 o 20.46330 1.999819  4.500630       0.7601840 5.700106       1.044650  3.150546       1.108296  6.500357       3.999638  
1 1 1 -12 11 57 o 15.27786 4.606292  2.529381       1.523666  2.529381       1.523666  ?              ?         ?              ?         
1 1 1 -12 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 12 1  o 226.6864 2.378354  512.7675       10.75163  536.6859       15.94774  492.8377       14.55741  9.645004       4.756708  
1 1 1 -12 12 2  o 130.1251 1.391903  169.3436       3.621420  167.1429       5.050445  171.6727       5.195560  -1.738922      2.783806  
1 1 1 -12 12 3  f 123.8818 1.335296  151.5979       3.272887  141.2402       4.271071  166.3317       5.094044  -10.11831      2.670593  
1 1 1 -12 12 4  f 179.0634 1.885204  320.7832       6.749366  316.5393       9.407289  325.2851       9.689038  -2.437790      3.770408  
1 1 1 -12 12 5  o 272.2752 3.496528  740.4835       17.81418  735.1766       21.62331  751.6943       31.42825  -2.760437      6.993056  
1 1 1 -12 12 6  o 275.3861 4.077061  760.8237       22.44474  747.9789       31.17311  774.6503       32.34250  -4.804016      8.154121  
1 1 1 -12 12 7  o 537.3389 7.980831  2921.935       85.58049  3037.110       126.1085  2823.612       116.5178  19.24774       15.96166  
1 1 1 -12 12 8  o 279.7322 4.138062  785.1963       23.14174  797.7471       33.29445  773.4656       32.18828  4.303192       8.276123  
1 1 1 -12 12 9  o 206.9777 2.661426  429.5323       10.39447  427.7396       17.95586  430.4359       12.74760  -0.7610779     5.322851  
1 1 1 -12 12 10 o 83.90196 0.9457594 69.08863       1.564357  78.10284       2.477946  63.11526       2.017148  8.928123       1.891519  
1 1 1 -12 12 11 o 132.8700 1.421844  176.4462       3.775319  180.8116       5.473832  172.4856       5.213863  3.130249       2.843688  
1 1 1 -12 12 12 o 222.6444 2.330791  495.5465       10.36498  510.2078       15.13081  482.5836       14.22744  6.187256       4.661583  
1 1 1 -12 12 13 o 272.9733 2.847492  746.1257       15.53960  758.1895       22.35687  734.8497       21.61455  4.258667       5.694984  
1 1 1 -12 12 14 o 87.63498 0.9851868 76.72834       1.725176  74.88380       2.379622  78.77191       2.504716  -2.217384      1.970374  
1 1 1 -12 12 15 o 197.0731 2.071188  388.4526       8.158038  396.8358       11.79895  380.7742       11.29214  4.066437       4.142376  
1 1 1 -12 12 16 o 55.73705 0.7084931 31.06292       0.7896954 30.56983       1.106859  31.57413       1.127010  -0.9008141     1.416986  
1 1 1 -12 12 17 o 86.36108 1.052760  74.76408       1.804995  73.21802       2.707391  76.00110       2.421729  -1.613968      2.105520  
1 1 1 -12 12 18 o 150.0629 2.056326  225.5814       6.060205  224.6484       9.506924  226.2199       7.865386  -0.5541840     4.112652  
1 1 1 -12 12 19 o 102.1464 1.576489  104.3791       3.219938  105.6843       4.612516  103.1385       4.497038  1.244438       3.152979  
1 1 1 -12 12 20 o 44.97842 0.8744203 19.98177       0.7801785 22.20177       1.200617  18.35921       1.026425  4.270073       1.748841  
1 1 1 -12 12 21 o 161.4804 2.212552  259.7309       6.951873  255.2166       8.823822  267.1185       11.28801  -3.629089      4.425104  
1 1 1 -12 12 22 o 102.9537 1.223834  106.0035       2.494241  105.7662       3.298278  106.3206       3.812010  -0.2624588     2.447668  
1 1 1 -12 12 23 o 23.05263 0.6940578 5.284573       0.3190781 5.787868       0.4724219 4.862390       0.4326816 2.007004       1.388116  
1 1 1 -12 12 24 o 175.0920 1.851203  306.8318       6.480968  311.0137       9.292423  302.8708       9.043589  2.319763       3.702406  
1 1 1 -12 12 25 f 100.2027 1.111751  100.4439       2.227871  99.75237       3.129575  101.1544       3.172228  -0.6989975     2.223503  
1 1 1 -12 12 26 o 93.99235 1.056536  88.33706       1.985248  86.79671       2.758509  89.99209       2.859335  -1.698212      2.113073  
1 1 1 -12 12 27 o 181.9963 1.923607  331.3538       6.994127  323.1719       9.625376  340.5063       10.18032  -4.745193      3.847215  
1 1 1 -12 12 28 f 128.7334 1.390708  165.3400       3.570976  172.9370       5.288045  158.9713       4.841672  5.413490       2.781416  
1 1 1 -12 12 29 o 193.8628 2.044952  376.1850       7.918924  387.2239       11.54907  366.3898       10.87904  5.345474       4.089904  
1 1 1 -12 12 30 o 82.39413 0.9541768 67.46919       1.564931  63.48227       2.093004  72.52393       2.356677  -5.481094      1.908354  
1 1 1 -12 12 31 f 87.18163 0.9950399 76.00315       1.733879  77.59646       2.506255  74.54053       2.401264  1.749947       1.990080  
1 1 1 -12 12 32 o 27.55989 0.6696175 7.511312       0.3665108 8.337903       0.5603148 6.893147       0.4845499 2.619610       1.339235  
1 1 1 -12 12 33 o 109.5619 1.207364  119.2744       2.629850  112.2420       3.496418  128.4359       3.990755  -7.370491      2.414728  
1 1 1 -12 12 34 o 104.0490 1.155488  108.3945       2.404303  109.1860       3.429306  107.6294       3.371819  0.7456818      2.310976  
1 1 1 -12 12 35 f 91.88242 1.043277  84.31864       1.913800  81.11550       2.613823  88.02020       2.809838  -3.748795      2.086553  
1 1 1 -12 12 36 o 36.69990 0.6617946 13.46969       0.4855423 13.68991       0.6991329 13.26451       0.6748327 0.5788422      1.323589  
1 1 1 -12 12 37 o 31.26612 0.6800263 9.752239       0.4230494 8.442660       0.5819846 11.21952       0.6160303 -4.439575      1.360053  
1 1 1 -12 12 38 o 55.02444 1.042528  30.20078       1.143410  31.78351       1.703200  28.90224       1.542733  2.609394       2.085056  
1 1 1 -12 12 39 o 92.44379 1.055640  85.54279       1.950819  83.60159       2.708262  87.63618       2.812436  -2.176132      2.111281  
1 1 1 -12 12 40 o 60.60535 0.7966849 36.23000       0.9576313 32.68105       1.259065  41.10078       1.475018  -6.935848      1.593370  
1 1 1 -12 12 41 o 52.34701 1.066266  27.43509       1.115733  26.47176       1.548931  28.47399       1.608526  -1.908020      2.132531  
1 1 1 -12 12 42 o 73.16416 0.8956841 53.51940       1.308601  55.27964       1.915600  51.97920       1.791873  2.247589       1.791368  
1 1 1 -12 12 43 o 33.23492 0.7157463 11.05967       0.4750663 11.03963       0.6903526 11.07768       0.6547506 -0.5932236E-01 1.431493  
1 1 1 -12 12 44 o 31.09903 0.7312555 9.652011       0.4531173 10.04174       0.6757736 9.333669       0.6107568 1.134201       1.462511  
1 1 1 -12 12 45 o 40.29518 0.7250402 16.21874       0.5826357 16.79740       0.8629695 15.73401       0.7898233 1.314159       1.450080  
1 1 1 -12 12 46 o 37.24545 0.7388922 13.91405       0.5494493 13.01676       0.7791604 14.80163       0.7749342 -2.396423      1.477784  
1 1 1 -12 12 47 o 55.33548 0.7882114 30.53309       0.8701969 28.19891       1.184515  33.26994       1.282620  -4.573185      1.576423  
1 1 1 -12 12 48 o 32.79327 0.7543068 10.80402       0.4933617 10.24268       0.7121351 11.32209       0.6841440 -1.648428      1.508614  
1 1 1 -12 12 49 o 19.30361 1.024484  3.849668       0.3839333 2.964440       0.5653875 4.607173       0.5230123 -4.260681      2.048968  
1 1 1 -12 12 50 o 70.24165 0.9034010 49.49781       1.269026  48.65403       1.790054  50.35036       1.799330  -1.206322      1.806802  
1 1 1 -12 12 51 f 22.75485 0.9168988 5.168546       0.4154810 5.479593       0.6232727 4.919781       0.5573896 1.221233       1.833798  
1 1 1 -12 12 52 o 9.764200 1.618267  0.8473483      0.3611540 1.821857       0.5603827 0.1550293      0.4723293 7.332808       3.236534  
1 1 1 -12 12 53 o 65.87790 0.8875672 43.39407       1.165943  45.76406       1.731682  41.42871       1.576944  3.266251       1.775134  
1 1 1 -12 12 54 o 15.79720 1.999072  2.857152       0.5526721 1.957412       0.9679053 3.292414       0.6732094 -4.536956      3.998144  
1 1 1 -12 12 55 f 10.49237 2.313841  1.150692       0.5510758 0.7184142      0.8887076 1.420743       0.7024250 -2.137196      4.627682  
1 1 1 -12 12 56 o 31.36227 1.928584  9.943416       1.209695  9.943416       1.209695  ?              ?         ?              ?         
1 1 1 -12 12 57 o 9.215735 3.945313  0.4878750E-01  1.296788  0.4878750E-01  1.296788  ?              ?         ?              ?         
1 1 1 -12 12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 13 1  o 120.3957 1.299692  144.5273       3.120715  139.0291       4.227608  151.1105       4.625960  -5.013260      2.599385  
1 1 1 -12 13 2  o 171.0535 1.805211  290.1080       6.127783  313.7375       9.392872  272.5992       8.085359  12.00627       3.610423  
1 1 1 -12 13 3  o 152.9435 1.626687  233.5190       4.966099  226.0182       6.774461  242.2319       7.301350  -5.293808      3.253375  
1 1 1 -12 13 4  o 159.1813 1.684910  253.3922       5.361423  258.1630       7.730817  248.9714       7.441833  2.883331       3.369821  
1 1 1 -12 13 5  o 147.2924 1.566410  215.5964       4.588549  230.4699       6.944153  204.0690       6.113333  8.951859       3.132820  
1 1 1 -12 13 6  o 164.9713 1.743269  272.2867       5.750866  269.6091       8.047017  275.0819       8.221701  -1.656311      3.486539  
1 1 1 -12 13 7  o 35.20046 0.5807187 12.22101       0.4059214 13.96316       0.6199938 10.91393       0.5370235 4.330856       1.161437  
1 1 1 -12 13 8  o 304.3079 3.172109  927.9749       19.30342  936.4661       27.56741  919.8063       27.03860  2.724030       6.344217  
1 1 1 -12 13 9  o 202.5908 2.643163  401.2125       9.731186  388.1760       11.47225  434.6529       18.37399  -11.32686      5.286325  
1 1 1 -12 13 10 o 253.5187 3.756904  644.4545       19.04008  655.7405       27.43099  633.9619       26.44932  4.265274       7.513808  
1 1 1 -12 13 11 o 188.0294 2.808524  353.6485       10.54749  344.0932       14.47408  364.4682       15.40192  -5.396332      5.617048  
1 1 1 -12 13 12 o 352.5051 5.212250  1250.761       36.74685  1249.411       51.91522  1252.117       52.02071  -0.3790283     10.42450  
1 1 1 -12 13 13 o 147.9150 2.238203  219.0421       6.620869  220.6497       9.426926  217.4770       9.300990  1.070007       4.476405  
1 1 1 -12 13 14 o 49.75388 0.9485452 0.000000       0.000000  ?              ?         24.75730       0.9438760 ?              ?         
1 1 1 -12 13 15 o 151.2201 2.265650  227.8867       6.824502  240.6188       10.21612  217.6267       9.170875  7.580612       4.531301  
1 1 1 -12 13 16 o 89.12456 1.396460  78.65829       2.469041  85.69046       3.793399  73.48940       3.252238  6.837898       2.792920  
1 1 1 -12 13 17 o 153.1082 2.293506  234.2944       7.011595  242.4922       10.27466  227.1494       9.592257  4.995361       4.587012  
1 1 1 -12 13 18 o 221.6465 2.839722  493.3777       11.91686  495.4522       14.67373  489.3590       20.42350  1.536896       5.679443  
1 1 1 -12 13 19 o 67.81747 0.8159766 45.99026       1.106524  46.51621       1.584091  45.48910       1.546317  0.7569351      1.631953  
1 1 1 -12 13 20 o 64.67120 0.7921411 41.44000       1.018458  38.41901       1.353001  45.38975       1.547060  -5.387691      1.584282  
1 1 1 -12 13 21 o 91.35577 1.028402  83.48259       1.878947  82.93793       2.644132  84.03817       2.670529  -0.6018524     2.056803  
1 1 1 -12 13 22 o 350.9047 3.660338  1236.549       25.68146  1221.283       35.81888  1252.698       36.84081  -4.431427      7.320676  
1 1 1 -12 13 23 o 131.7785 1.418357  173.7516       3.737568  175.5139       5.343784  172.0639       5.229507  1.306885       2.836714  
1 1 1 -12 13 24 o 136.0467 1.460088  185.1182       3.970440  188.8709       5.734815  181.6635       5.502490  2.643906       2.920177  
1 1 1 -12 13 25 o 62.21591 0.7825995 38.19032       0.9650915 42.64608       1.491521  34.98124       1.265783  6.157074       1.565199  
1 1 1 -12 13 26 o 132.0583 1.422681  174.5026       3.756532  172.1813       5.240089  176.9568       5.388078  -1.804611      2.845362  
1 1 1 -12 13 27 o 50.78334 0.7050710 25.70921       0.7148938 24.18818       0.9777603 27.45631       1.047906  -3.216774      1.410142  
1 1 1 -12 13 28 o 118.3092 1.288909  140.1071       3.049662  140.8194       4.337067  139.4104       4.289081  0.5941315      2.577818  
1 1 1 -12 13 29 o 154.8236 1.651170  239.0346       5.092948  252.2307       7.615072  228.3553       6.850482  7.680420       3.302341  
1 1 1 -12 13 30 f 123.2201 1.338532  151.6978       3.292473  157.3889       4.837496  146.7863       4.493978  4.289795       2.677064  
1 1 1 -12 13 31 o 17.32780 0.8500909 3.086219       0.2864459 2.376713       0.4195868 3.705525       0.3920091 -3.835050      1.700182  
1 1 1 -12 13 32 o 97.36287 1.090644  94.81498       2.122152  97.04558       3.073923  92.78371       2.933363  2.183495       2.181287  
1 1 1 -12 13 33 o 83.38837 0.9657000 69.59292       1.610418  68.84055       2.259008  70.37041       2.296404  -0.9160004     1.931400  
1 1 1 -12 13 34 o 47.00465 0.6947760 22.10577       0.6530434 22.19085       0.9329611 22.02404       0.9144042 0.1768837      1.389552  
1 1 1 -12 13 35 o 52.85799 0.7294050 27.91486       0.7700630 28.76729       1.124427  27.16191       1.056785  1.516323       1.458810  
1 1 1 -12 13 36 f 65.59900 0.8216461 43.07248       1.077944  42.59187       1.522527  43.55551       1.526367  -0.7343369     1.643292  
1 1 1 -12 13 37 o 90.39075 1.454190  81.96351       2.628808  81.90756       3.733160  82.01852       3.702424  -0.6374359E-01 2.908380  
1 1 1 -12 13 38 o 59.22212 0.7813120 34.69632       0.9179092 38.26973       1.411721  32.07914       1.208160  5.217777       1.562624  
1 1 1 -12 13 39 o 24.44229 0.7529737 6.017201       0.3658094 5.446114       0.5293924 6.539059       0.5060613 -2.236839      1.505947  
1 1 1 -12 13 40 o 55.72814 0.7640003 31.09746       0.8513761 30.68501       1.209926  31.50196       1.198215  -0.7336044     1.528001  
1 1 1 -12 13 41 o 80.40929 0.9572776 64.58854       1.536770  61.72127       2.098477  67.90473       2.256789  -3.834183      1.914555  
1 1 1 -12 13 42 o 51.80190 0.7533841 26.87449       0.7803274 26.60751       1.113087  27.13250       1.094254  -0.5078773     1.506768  
1 1 1 -12 13 43 o 8.039700 1.696461  0.6509954      0.2928023 0.7451893      0.4376760 0.5746866      0.3939388 0.9292879      3.392921  
1 1 1 -12 13 44 o 109.9349 1.230656  121.2813       2.704033  123.7600       3.910261  119.0097       3.743358  2.140038       2.461313  
1 1 1 -12 13 45 o 43.73029 0.7342589 18.95197       0.6378375 20.87965       0.9737220 17.50314       0.8441641 3.850574       1.468518  
1 1 1 -12 13 46 o 41.35261 0.7353562 17.07097       0.6061184 17.81655       0.9020479 16.45725       0.8184050 1.636547       1.470712  
1 1 1 -12 13 47 o 38.10461 0.7446214 14.56797       0.5666767 13.94936       0.8108156 15.15866       0.7923087 -1.588516      1.489243  
1 1 1 -12 13 48 o 47.11105 0.7704360 22.25800       0.7251885 21.89968       1.044387  22.59161       1.007738  -0.7381287     1.540872  
1 1 1 -12 13 49 o 27.79601 0.8309358 7.697338       0.4587007 8.150552       0.6985921 7.353856       0.6081689 1.422726       1.661872  
1 1 1 -12 13 50 o 80.88681 0.9905235 65.68005       1.602251  64.54044       2.249187  66.85424       2.283043  -1.425369      1.981047  
1 1 1 -12 13 51 o 23.18341 1.201356  5.287930       0.4938850 5.673100       0.9679546 5.152361       0.5742618 1.050171       2.402711  
1 1 1 -12 13 52 o 40.13328 1.125641  16.07388       0.8899292 16.96226       1.399874  15.47134       1.152879  1.808823       2.251282  
1 1 1 -12 13 53 f 9.304719 2.324356  0.7788861      0.5318426 0.8079532      0.8473790 0.7599939      0.6831546 0.5762615      4.648712  
1 1 1 -12 13 54 o 50.49067 0.8988149 25.70062       0.9038021 27.00620       1.243645  24.23929       1.315738  2.752373       1.797630  
1 1 1 -12 13 55 o 22.35529 1.320493  5.043674       0.5844175 6.049018       0.8481329 4.134776       0.8064257 4.270432       2.640985  
1 1 1 -12 13 56 o 26.43667 2.134761  7.089617       1.128719  7.089617       1.128719  ?              ?         ?              ?         
1 1 1 -12 13 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 14 1  o 274.3558 2.863609  752.9611       15.68900  777.3483       22.95797  731.5930       21.48989  8.300507       5.727219  
1 1 1 -12 14 2  o 220.8079 2.312099  488.1957       10.21004  485.4636       14.34967  490.9970       14.53036  -1.249222      4.624197  
1 1 1 -12 14 3  o 249.3369 2.605487  621.0660       12.96267  646.5048       19.12811  599.4616       17.62766  9.398560       5.210975  
1 1 1 -12 14 4  o 25.24399 0.5491937 6.356112       0.2767940 6.904057       0.4022533 5.863339       0.3814653 2.061214       1.098387  
1 1 1 -12 14 5  o 41.65544 0.6104978 16.88274       0.5012815 20.37767       0.7945623 14.57192       0.6460878 6.967972       1.220996  
1 1 1 -12 14 6  o 112.3400 1.220881  125.7282       2.734021  132.4239       4.070418  120.2243       3.690429  5.425583       2.441761  
1 1 1 -12 14 7  o 86.14796 0.9709446 74.10539       1.670873  76.72073       2.436975  71.78527       2.295323  2.863289       1.941889  
1 1 1 -12 14 8  o 96.18021 1.067595  91.51971       2.035645  85.38302       2.674468  99.97107       3.138580  -7.579231      2.135191  
1 1 1 -12 14 9  o 306.8965 3.199154  943.8986       19.62832  930.0275       27.30150  958.7390       28.23952  -4.650482      6.398308  
1 1 1 -12 14 10 o 257.4902 2.693159  663.0169       13.84722  643.5983       18.95448  685.2427       20.27834  -8.053970      5.386319  
1 1 1 -12 14 11 o 130.3398 1.718161  168.2611       4.169224  174.7957       7.469343  165.3037       5.024850  3.602890       3.436323  
1 1 1 -12 14 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 14 13 o 299.1571 4.417613  898.6752       26.40521  877.9049       36.39091  921.7699       38.37311  -7.247162      8.835225  
1 1 1 -12 14 14 o 120.4220 2.588204  145.1507       6.233532  145.1507       6.233532  ?              ?         ?              ?         
1 1 1 -12 14 15 o 226.6374 4.766842  515.3367       21.60689  515.3367       21.60689  ?              ?         ?              ?         
1 1 1 -12 14 16 f 50.25274 1.022300  25.25861       1.027412  25.54256       1.461990  24.98156       1.444135  0.5579910      2.044599  
1 1 1 -12 14 17 o 123.6258 1.904646  152.9025       4.706803  156.0036       6.790201  150.0343       6.530256  2.408875       3.809292  
1 1 1 -12 14 18 o 196.3233 2.932431  386.4403       11.51308  389.4334       16.41323  383.5411       16.15377  1.492111       5.864863  
1 1 1 -12 14 19 f 88.87457 1.243763  78.62781       2.061739  80.13092       3.664196  77.93147       2.493997  1.220650       2.487525  
1 1 1 -12 14 20 o 29.03572 0.6604084 8.365481       0.3792514 6.756780       0.5137134 10.29254       0.5622522 -6.088251      1.320817  
1 1 1 -12 14 21 o 74.96611 0.8840598 55.85172       1.319568  52.57743       1.767380  59.97607       1.983578  -4.932083      1.768120  
1 1 1 -12 14 22 o 113.8631 1.243979  129.5005       2.828906  133.9212       4.134578  125.6096       3.878997  3.645103       2.487957  
1 1 1 -12 14 23 o 86.50169 0.9871078 74.83999       1.707453  75.82722       2.441690  73.89522       2.388591  1.115913       1.974216  
1 1 1 -12 14 24 o 81.82305 0.9458406 66.10872       1.532915  73.11012       2.375826  61.11523       2.006428  7.323944       1.891681  
1 1 1 -12 14 25 o 118.1548 1.286434  139.6861       3.039277  137.9046       4.243937  141.5616       4.354570  -1.544876      2.572868  
1 1 1 -12 14 26 o 14.59642 0.9180291 2.127142       0.2671190 2.184747       0.3962954 2.079179       0.3616095 0.3609428      1.836058  
1 1 1 -12 14 27 o 80.54190 0.9346527 64.79510       1.503823  62.69463       2.066824  67.15804       2.192159  -2.768143      1.869305  
1 1 1 -12 14 28 f 133.0740 1.436345  177.3258       3.822350  179.0609       5.456651  175.6542       5.355991  1.276260       2.872689  
1 1 1 -12 14 29 o 27.08899 0.6840880 7.333924       0.3661918 5.892005       0.5037981 8.949045       0.5331984 -5.641998      1.368176  
1 1 1 -12 14 30 o 52.82954 0.7193738 27.87881       0.7594794 26.70020       1.049776  29.17318       1.100124  -2.339336      1.438748  
1 1 1 -12 14 31 o 118.8525 1.297442  141.1740       3.078470  146.5133       4.520537  136.5565       4.203913  4.174591       2.594884  
1 1 1 -12 14 32 o 63.81435 0.7982120 40.73217       1.018499  39.82529       1.421661  41.68842       1.459847  -1.458603      1.596424  
1 1 1 -12 14 33 o 74.07506 0.8841977 54.45767       1.302692  50.70611       1.734460  59.31256       1.973091  -5.799911      1.768395  
1 1 1 -12 14 34 o 73.32150 0.8803442 53.79099       1.290401  54.58559       1.857570  53.04993       1.793899  1.044617       1.760688  
1 1 1 -12 14 35 o 60.73717 0.7859282 36.87483       0.9536185 37.86795       1.388616  35.98842       1.311893  1.544254       1.571856  
1 1 1 -12 14 36 o 34.86824 0.7210187 12.10047       0.5013513 11.00355       0.6820368 13.38994       0.7394770 -3.419788      1.442037  
1 1 1 -12 14 37 o 83.82832 0.9788933 69.74174       1.629564  75.57316       2.489445  65.36968       2.155551  6.067604       1.957787  
1 1 1 -12 14 38 o 65.72956 0.8320609 42.84164       1.087692  39.45058       1.447561  47.23890       1.648389  -5.913982      1.664122  
1 1 1 -12 14 39 o 37.07445 0.7021538 13.68898       0.5187736 14.55725       0.7745296 12.98254       0.6986390 2.119965       1.404308  
1 1 1 -12 14 40 f 83.03283 1.397802  69.16338       2.320178  67.43951       3.221303  71.02174       3.344623  -2.144699      2.795604  
1 1 1 -12 14 41 o 56.56587 0.7797679 32.04762       0.8817649 31.84104       1.263940  32.24348       1.230731  -0.3578377     1.559536  
1 1 1 -12 14 42 o 34.22350 0.7245097 11.57846       0.4922204 12.97758       0.7544207 10.54141       0.6495102 3.552486       1.449019  
1 1 1 -12 14 43 o 59.65086 0.8105578 35.58849       0.9661979 33.99974       1.335046  37.33583       1.400094  -2.791084      1.621116  
1 1 1 -12 14 44 o 44.13010 0.7387150 19.50543       0.6512206 19.52468       0.9444100 19.48797       0.8991836 0.3807068E-01  1.477430  
1 1 1 -12 14 45 o 68.58680 0.8767015 47.11042       1.201417  48.16189       1.745360  46.16356       1.656260  1.447937       1.753403  
1 1 1 -12 14 46 o 49.07131 0.7648043 24.03402       0.7478013 25.18023       1.116058  23.10017       1.007375  2.109200       1.529609  
1 1 1 -12 14 47 o 66.96121 0.8728186 44.73081       1.164055  47.46323       1.744506  42.53775       1.562874  3.656761       1.745637  
1 1 1 -12 14 48 o 79.99149 0.9795502 64.22375       1.566838  64.29097       2.237433  64.15907       2.194868  0.7671356E-01  1.959100  
1 1 1 -12 14 49 o 75.05769 1.326859  56.51817       1.983792  59.18081       2.966327  54.36371       2.668292  3.151184       2.653718  
1 1 1 -12 14 50 f 31.19641 1.168977  9.905251       0.7137275 9.177811       1.107728  10.42160       0.9332713 -2.024656      2.337955  
1 1 1 -12 14 51 o 43.10367 0.8377076 18.59600       0.7201372 20.66656       1.045079  16.72396       0.9937165 4.565918       1.675415  
1 1 1 -12 14 52 o 37.93343 0.7996431 14.37324       0.6036928 15.03718       0.9074484 13.84609       0.8085805 1.556004       1.599286  
1 1 1 -12 14 53 o 27.58940 0.9994513 7.728543       0.5459219 8.553954       0.7502335 6.799616       0.7958879 3.187847       1.998903  
1 1 1 -12 14 54 o 24.26323 1.235962  5.944256       0.5990226 6.240340       0.8432814 5.642684       0.8510642 1.233528       2.471925  
1 1 1 -12 14 55 o 48.35852 1.062852  23.56207       1.020852  23.64076       1.367186  23.46290       1.534694  0.2234459      2.125704  
1 1 1 -12 14 56 o 16.30608 4.023870  2.900126       1.305960  2.900126       1.305960  ?              ?         ?              ?         
1 1 1 -12 14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 14 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 15 1  o 140.5068 1.499109  197.5503       4.212698  197.5325       5.954879  197.5681       5.960435  -0.1255798E-01 2.998219  
1 1 1 -12 15 2  o 96.94845 1.072011  93.70827       2.073238  98.20422       3.067823  89.92886       2.812757  4.265152       2.144023  
1 1 1 -12 15 3  o 65.86480 0.7895633 43.29760       1.038546  41.79179       1.422386  45.01699       1.519913  -2.447571      1.579127  
1 1 1 -12 15 4  o 196.8753 2.069128  387.8719       8.143684  381.8032       11.31967  394.3829       11.72483  -3.186462      4.138256  
1 1 1 -12 15 5  o 139.8671 1.493361  195.7282       4.177040  194.1967       5.858600  197.3116       5.957084  -1.112061      2.986723  
1 1 1 -12 15 6  o 134.0521 1.436913  179.2122       3.841927  172.2835       5.207742  187.4863       5.690967  -5.663544      2.873826  
1 1 1 -12 15 7  o 172.0292 2.206080  298.7031       7.267104  288.0509       12.06885  304.7619       9.102166  -4.921829      4.412159  
1 1 1 -12 15 8  o 172.0033 2.563072  294.5626       8.769753  313.5311       13.24813  279.7677       11.70021  9.774551       5.126143  
1 1 1 -12 15 9  o 202.6986 3.005708  411.9164       12.18446  409.3650       17.12943  414.5293       17.33528  -1.267517      6.011416  
1 1 1 -12 15 10 o 262.4641 3.878483  691.5338       20.34920  703.6647       29.33303  680.2793       28.25353  4.411438       7.756965  
1 1 1 -12 15 11 o 124.1417 2.707381  154.2805       6.721979  154.2805       6.721979  ?              ?         ?              ?         
1 1 1 -12 15 12 o 226.8266 2.376724  515.3851       10.78206  516.1315       15.26938  514.6429       15.22698  0.3270416      4.753448  
1 1 1 -12 15 13 o 214.2863 2.250932  456.4154       9.585425  489.7495       14.57429  431.0047       12.72483  13.66148       4.501865  
1 1 1 -12 15 14 o 201.8253 2.122062  407.8568       8.564693  404.4104       12.00183  411.4332       12.22590  -1.734482      4.244124  
1 1 1 -12 15 15 o 184.4671 1.945453  339.8554       7.162514  353.1930       10.54469  328.4303       9.759470  6.694443       3.890906  
1 1 1 -12 15 16 o 84.40701 0.9648095 69.19876       1.593545  81.19973       2.600610  61.98366       2.016455  11.37627       1.929619  
1 1 1 -12 15 17 o 94.91314 1.060124  90.09941       2.012034  89.05646       2.813459  91.19117       2.878548  -1.123703      2.120247  
1 1 1 -12 15 18 o 191.5896 2.020165  366.1672       7.714207  351.1317       10.40656  384.5069       11.49328  -8.680847      4.040329  
1 1 1 -12 15 19 o 157.4304 2.053417  249.1583       6.121124  251.0610       7.544335  245.4929       10.47141  1.853943       4.106835  
1 1 1 -12 15 20 o 176.3242 2.305668  308.6503       7.542963  303.7816       9.069088  319.5771       13.58623  -4.320190      4.611335  
1 1 1 -12 15 21 o 122.2583 1.891523  149.4099       4.617777  154.9148       6.763932  144.6042       6.319721  4.203148       3.783046  
1 1 1 -12 15 22 o 119.9105 1.857812  143.5204       4.442780  137.7397       6.016749  150.4513       6.588136  -5.282318      3.715623  
1 1 1 -12 15 23 o 44.75535 0.9998464 19.81786       0.8898507 17.86053       1.185118  22.34756       1.347302  -5.009731      1.999693  
1 1 1 -12 15 24 o 82.64375 1.368853  68.37512       2.262470  68.07625       3.184504  68.67975       3.214946  -0.3642273     2.737705  
1 1 1 -12 15 25 o 190.3946 2.491066  358.4895       8.732427  378.0040       16.01385  350.2310       10.41760  6.975311       4.982132  
1 1 1 -12 15 26 o 144.1604 1.894154  208.9039       5.163454  206.6782       8.866024  210.0462       6.351799  -1.287689      3.788308  
1 1 1 -12 15 27 o 36.46215 0.6472098 12.78695       0.4623049 16.10176       0.7510573 10.76486       0.5866019 7.315338       1.294420  
1 1 1 -12 15 28 o 73.62266 0.8760075 54.08643       1.287576  51.75970       1.757805  56.78009       1.891332  -3.405777      1.752015  
1 1 1 -12 15 29 o 109.6365 1.209197  120.1826       2.648288  124.0515       3.860744  116.7444       3.639528  3.323380       2.418394  
1 1 1 -12 15 30 o 82.90279 0.9585164 68.66965       1.587284  66.42233       2.179362  71.20852       2.316420  -2.881783      1.917033  
1 1 1 -12 15 31 o 129.2508 1.401499  167.4542       3.622886  167.2143       5.115935  167.6955       5.131169  -0.1852570     2.802998  
1 1 1 -12 15 32 o 81.86602 0.9535921 67.05288       1.560675  65.58335       2.168857  68.63091       2.247499  -1.857910      1.907184  
1 1 1 -12 15 33 o 67.47364 0.8347539 45.47653       1.125137  43.69853       1.545716  47.48029       1.640915  -2.798599      1.669508  
1 1 1 -12 15 34 o 85.30467 0.9900616 72.61501       1.685210  69.26898       2.289888  76.56836       2.489043  -4.268242      1.980123  
1 1 1 -12 15 35 o 90.64912 1.038448  82.29906       1.882419  82.84490       2.688502  81.77413       2.636544  0.5876846      2.076896  
1 1 1 -12 15 36 o 81.48872 0.9596360 66.50256       1.563864  66.60316       2.226587  66.40459       2.196987  0.1202011      1.919272  
1 1 1 -12 15 37 o 51.75258 0.7360517 26.71100       0.7604390 24.93484       1.039751  28.75370       1.115038  -3.685890      1.472103  
1 1 1 -12 15 38 o 92.09354 1.057900  84.79740       1.944736  88.12305       2.859316  81.93475       2.652822  3.344460       2.115800  
1 1 1 -12 15 39 o 109.8397 1.226560  121.0078       2.693992  121.9924       3.853609  120.0667       3.767606  0.8687744      2.453121  
1 1 1 -12 15 40 f 87.09015 1.017123  75.98472       1.771036  74.24938       2.466037  77.83310       2.545080  -2.050819      2.034246  
1 1 1 -12 15 41 o 50.21502 0.7490321 25.10153       0.7499375 22.80523       1.018391  27.82201       1.108470  -4.989254      1.498064  
1 1 1 -12 15 42 f 54.90726 0.7797329 30.16135       0.8547759 30.83382       1.251720  29.57374       1.170077  1.141029       1.559466  
1 1 1 -12 15 43 o 42.40990 0.7367766 18.01016       0.6237496 18.09556       0.9115770 17.93498       0.8553368 0.1849403      1.473553  
1 1 1 -12 15 44 o 107.3781 1.212841  115.7724       2.603607  113.3003       3.619902  118.4219       3.747524  -2.367195      2.425681  
1 1 1 -12 15 45 o 54.31114 0.7910804 29.53396       0.8585761 27.88535       1.196118  31.28623       1.233149  -3.127308      1.582161  
1 1 1 -12 15 46 o 34.89068 0.9386688 11.66425       0.5986140 13.56915       1.135742  10.93151       0.7043988 3.726345       1.877338  
1 1 1 -12 15 47 f 44.34291 1.067994  19.72932       0.9442627 20.00824       1.395234  19.49360       1.282638  0.5637894      2.135987  
1 1 1 -12 15 48 o 31.67598 0.9532318 10.24272       0.5931471 11.95546       0.8183666 8.347207       0.8609238 5.701385       1.906464  
1 1 1 -12 15 49 o 6.455145 1.764727  0.1344811      0.3430247 0.5808114      0.5322272 -0.1826562     0.4486344 2.975111       3.529453  
1 1 1 -12 15 50 o 12.13995 1.584782  1.451973       0.3697335 2.126732       0.5861533 1.006087       0.4764841 4.742480       3.169564  
1 1 1 -12 15 51 o 37.90802 0.7989481 14.38318       0.6023649 14.71813       0.9052417 14.11702       0.8069511 0.7789993      1.597896  
1 1 1 -12 15 52 o 23.24276 1.010449  5.517762       0.4610656 4.404728       0.6624430 6.563554       0.6421221 -4.647818      2.020897  
1 1 1 -12 15 53 o 37.97387 0.9060909 14.34293       0.6830943 13.37300       0.9022431 15.64562       1.045620  -2.966446      1.812182  
1 1 1 -12 15 54 f 18.82249 1.415516  3.652439       0.5224851 4.275711       0.7193998 2.956669       0.7600890 3.516283       2.831033  
1 1 1 -12 15 55 o 12.26417 2.619494  1.564396       0.6996580 1.281571       0.9521227 1.896394       1.031579  -2.042647      5.238988  
1 1 1 -12 15 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 15 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 16 1  o 255.3568 2.669593  652.8372       13.62043  637.6642       18.76867  669.7180       19.79682  -6.244492      5.339186  
1 1 1 -12 16 2  o 68.64732 0.8179931 47.11981       1.122756  46.53083       1.566134  47.74257       1.610425  -0.8821564     1.635986  
1 1 1 -12 16 3  o 106.0661 1.164216  112.4159       2.467277  109.7043       3.400402  115.4307       3.585460  -2.696976      2.328431  
1 1 1 -12 16 4  o 156.0112 2.023931  243.7513       5.968534  243.6007       10.28392  243.8278       7.329209  -0.1395569     4.047863  
1 1 1 -12 16 5  o 308.7981 4.563689  959.9120       28.18514  960.7023       39.89525  959.1246       39.82446  0.2518005      9.127378  
1 1 1 -12 16 6  o 104.0168 1.601423  108.0081       3.325207  112.5988       4.887912  104.0533       4.536799  4.101402       3.202847  
1 1 1 -12 16 7  o 190.4490 2.827841  363.4722       10.76686  369.2761       15.49108  358.0484       14.97530  2.931122       5.655681  
1 1 1 -12 16 8  o 175.5094 2.269441  307.2649       7.473812  304.8688       9.093341  312.2531       13.12041  -2.000565      4.538882  
1 1 1 -12 16 9  o 84.03854 0.9643425 70.54931       1.618924  68.77379       2.225759  72.54388       2.359060  -2.241585      1.928685  
1 1 1 -12 16 10 o 59.87787 1.117793  35.16677       1.322355  31.58516       1.714608  40.42416       2.077352  -7.376091      2.235587  
1 1 1 -12 16 11 o 221.7838 2.325798  492.6954       10.31497  488.0894       14.43983  497.4948       14.73993  -2.112045      4.651597  
1 1 1 -12 16 12 o 168.4538 1.783894  283.2989       5.996128  295.0471       8.848182  273.3219       8.153913  6.433197       3.567789  
1 1 1 -12 16 13 o 26.46909 0.6441771 6.932280       0.3356467 5.368455       0.4515207 8.863806       0.5018035 -6.602295      1.288354  
1 1 1 -12 16 14 o 171.2671 1.812564  293.2410       6.200703  285.3800       8.514855  302.1164       9.047608  -4.873154      3.625129  
1 1 1 -12 16 15 o 109.9352 1.204057  120.5339       2.640483  126.1630       3.907460  115.8032       3.582129  4.706261       2.408114  
1 1 1 -12 16 16 o 114.0830 1.246004  129.5955       2.831692  123.5041       3.806338  137.1451       4.237505  -5.970467      2.492007  
1 1 1 -12 16 17 f 127.6278 1.378631  162.1241       3.503378  172.2333       5.261451  154.0721       4.695722  7.102676       2.757262  
1 1 1 -12 16 18 o 143.6490 1.536952  206.4787       4.413974  209.8683       6.347689  203.3052       6.141995  2.279327       3.073903  
1 1 1 -12 16 19 o 117.3921 1.279762  137.0614       2.989910  146.2439       4.505384  129.8346       3.996881  6.978088       2.559525  
1 1 1 -12 16 20 o 141.2646 1.514098  199.4347       4.271360  206.0969       6.249187  193.5932       5.851625  4.414490       3.028195  
1 1 1 -12 16 21 o 167.6489 1.778934  281.3656       5.960967  275.9008       8.256067  287.3168       8.615580  -3.391586      3.557868  
1 1 1 -12 16 22 o 112.9372 1.236352  127.6667       2.792535  127.0906       3.932877  128.2526       3.965810  -0.5135498     2.472703  
1 1 1 -12 16 23 o 37.19062 0.6404622 13.83765       0.4762641 13.70967       0.6793091 13.96138       0.6679137 -0.3385925     1.280924  
1 1 1 -12 16 24 o 153.9045 1.642425  236.0516       5.032855  224.6149       6.745218  250.4151       7.559190  -8.346909      3.284850  
1 1 1 -12 16 25 o 180.0221 1.907055  324.9755       6.864764  328.8049       9.831045  321.3316       9.589930  2.062195       3.814111  
1 1 1 -12 16 26 o 163.4325 2.162899  262.6570       6.454887  254.9171       7.641981  281.9283       12.05843  -7.960022      4.325798  
1 1 1 -12 16 27 o 91.94531 1.290896  84.11538       2.210986  83.15721       2.670072  86.20568       3.943709  -1.602989      2.581793  
1 1 1 -12 16 28 f 122.0858 1.893659  149.2521       4.615014  144.3329       6.298151  154.9559       6.781893  -4.317413      3.787318  
1 1 1 -12 16 29 o 85.38928 1.412426  72.59875       2.401400  78.14442       3.609614  68.19531       3.216470  5.802559       2.824853  
1 1 1 -12 16 30 o 103.3637 1.643855  107.2051       3.398272  107.6145       4.817401  106.7996       4.794445  0.3924713      3.287710  
1 1 1 -12 16 31 f 79.19312 1.336265  62.60153       2.110442  66.24618       3.131814  59.56973       2.856394  4.198097       2.672530  
1 1 1 -12 16 32 o 82.79123 1.382127  68.60790       2.285652  71.04505       3.336060  66.45177       3.137838  2.760307       2.764253  
1 1 1 -12 16 33 o 26.69039 2.013247  0.000000       0.000000  ?              ?         7.145542       1.074687  ?              ?         
1 1 1 -12 16 34 o 24.21656 0.9496378 5.776358       0.4094702 6.084343       0.7944906 5.664959       0.4778186 0.8495846      1.899276  
1 1 1 -12 16 35 o 59.28487 0.8556939 35.13520       0.9948987 35.47494       1.572834  34.90859       1.284539  0.4627342      1.711388  
1 1 1 -12 16 36 o 48.85344 0.7215847 23.59039       0.6988078 26.11432       1.078932  21.76649       0.9171810 4.441799       1.443169  
1 1 1 -12 16 37 o 71.62654 0.8807963 51.12159       1.256676  54.17971       1.881735  48.65969       1.688366  3.841385       1.761593  
1 1 1 -12 16 38 o 44.37253 0.7168738 19.71956       0.6351511 18.29364       0.8926204 21.18197       0.9039659 -3.254002      1.433748  
1 1 1 -12 16 39 f 17.48637 0.9449249 3.060825       0.3269966 3.087708       0.5010089 3.040875       0.4316007 0.1283970      1.889850  
1 1 1 -12 16 40 o 65.68964 0.8461412 43.22995       1.111380  43.31999       1.590250  43.14399       1.553840  0.1311188      1.692282  
1 1 1 -12 16 41 o 48.77059 0.7441857 23.83377       0.7255297 23.43852       1.037030  24.21272       1.015419  -0.7953720     1.488371  
1 1 1 -12 16 42 f 16.00562 1.103905  2.681431       0.3383406 1.947155       0.5046656 3.280918       0.4559987 -4.172055      2.207811  
1 1 1 -12 16 43 o 42.79266 0.9181327 18.12845       0.7226362 18.95723       1.325284  17.77778       0.8620657 1.329826       1.836265  
1 1 1 -12 16 44 o 46.69254 1.061472  21.91130       0.9883009 19.81948       1.388456  24.05957       1.407067  -4.537983      2.122944  
1 1 1 -12 16 45 o 30.54848 1.101536  9.512020       0.6592122 8.591445       1.011486  10.19174       0.8691522 -2.639999      2.203072  
1 1 1 -12 16 46 o 35.65822 0.7664242 12.61796       0.5417464 13.66132       0.8348745 11.85911       0.7120024 2.514065       1.532848  
1 1 1 -12 16 47 o 33.26744 0.7795272 11.04235       0.5161992 11.61292       0.7757674 10.58899       0.6915085 1.529350       1.559054  
1 1 1 -12 16 48 f 57.35904 0.8261107 32.65350       0.9406015 35.75747       1.441215  30.35037       1.241450  4.687984       1.652221  
1 1 1 -12 16 49 o 13.49815 1.413138  1.826200       0.3779768 1.936603       0.5817390 1.745542       0.4972332 0.6870928      2.826275  
1 1 1 -12 16 50 o 40.73766 0.7925441 16.55694       0.6404685 17.33266       0.9790095 15.97656       0.8468206 1.645954       1.585088  
1 1 1 -12 16 51 o 32.04068 0.8322302 10.27307       0.5288453 10.53083       0.8058940 10.07813       0.7008585 0.6903286      1.664460  
1 1 1 -12 16 52 f 44.17936 0.8903857 19.69264       0.7831141 21.34414       1.091299  17.93935       1.124426  3.859219       1.780771  
1 1 1 -12 16 53 o 42.55363 0.9853830 17.38010       0.7999685 15.64041       0.9737868 20.99110       1.402950  -6.195202      1.970766  
1 1 1 -12 16 54 f 37.90872 1.076149  14.48883       0.8129677 14.65307       1.107384  14.29684       1.197292  0.4911575      2.152298  
1 1 1 -12 16 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 17 1  o 65.22189 1.063012  42.55193       1.386463  42.98220       1.979671  42.13771       1.942369  0.6468124      2.126025  
1 1 1 -12 17 2  f 94.30931 1.454568  89.01462       2.743472  89.47654       3.901189  88.56265       3.858869  0.4836197      2.909136  
1 1 1 -12 17 3  o 30.59915 0.7016988 9.372005       0.4289793 9.182763       0.6171845 9.548875       0.5966721 -0.5984421     1.403398  
1 1 1 -12 17 4  o 183.8651 2.388882  334.1001       8.119613  326.7112       9.718668  351.1779       14.77522  -6.486359      4.777765  
1 1 1 -12 17 5  o 163.9137 1.738373  268.6207       5.691934  261.8083       7.822545  276.2857       8.297670  -4.404602      3.476745  
1 1 1 -12 17 6  o 138.2142 1.479839  191.0387       4.087883  187.1642       5.656676  195.2739       5.914197  -2.928391      2.959678  
1 1 1 -12 17 7  o 60.36955 0.7577511 35.93613       0.9066002 40.28728       1.402226  32.81085       1.188396  6.189926       1.515502  
1 1 1 -12 17 8  o 33.77091 0.6242495 11.34969       0.4204415 10.66119       0.5690928 12.17710       0.6238626 -2.243912      1.248499  
1 1 1 -12 17 9  o 92.97144 1.048518  84.55583       1.917729  96.99457       3.065983  76.56191       2.457885  10.97931       2.097035  
1 1 1 -12 17 10 o 293.0864 3.062979  862.3893       17.95385  865.8421       25.50504  858.9978       25.27763  1.157166       6.125959  
1 1 1 -12 17 11 o 208.5842 2.194999  435.6136       9.150188  445.2581       13.24603  426.8108       12.65484  4.402100       4.389999  
1 1 1 -12 17 12 o 234.5703 2.460213  550.3054       11.51675  572.0935       16.96993  531.7021       15.68065  8.559799       4.920425  
1 1 1 -12 17 13 o 113.1752 1.238251  128.1042       2.801550  125.9212       3.892946  130.4493       4.034842  -1.997665      2.476503  
1 1 1 -12 17 14 o 67.70885 0.8275634 44.40557       1.096507  52.93489       1.790975  39.29150       1.386805  10.06956       1.655127  
1 1 1 -12 17 15 o 333.9848 3.490419  1120.810       23.29407  1096.402       32.14136  1147.813       33.80732  -7.598267      6.980838  
1 1 1 -12 17 16 o 66.96048 0.8208892 43.14049       1.070753  52.48905       1.777511  37.81607       1.341455  10.95000       1.641778  
1 1 1 -12 17 17 o 109.4279 1.203223  119.7608       2.632014  122.2425       3.795316  117.4615       3.653210  2.181206       2.406445  
1 1 1 -12 17 18 o 212.5320 2.236368  451.9857       9.486938  469.0485       13.95498  437.3238       12.93601  7.415451       4.472737  
1 1 1 -12 17 19 o 157.5996 1.678546  248.5923       5.286706  254.3357       7.658370  243.3638       7.307059  3.467743       3.357092  
1 1 1 -12 17 20 o 75.05746 0.8846607 55.99117       1.321584  60.06302       1.991312  52.78582       1.766773  4.843063       1.769321  
1 1 1 -12 17 21 o 70.53257 0.8453585 49.77406       1.192483  49.76827       1.691664  49.77979       1.681235  -0.8392334E-02 1.690717  
1 1 1 -12 17 22 o 50.22598 0.6973590 25.10008       0.6984987 23.41604       0.9453893 27.12454       1.036544  -3.690029      1.394718  
1 1 1 -12 17 23 o 165.4623 1.760350  273.2061       5.802223  260.7545       7.799490  288.6368       8.682523  -8.377625      3.520699  
1 1 1 -12 17 24 f 82.20737 0.9505924 67.61420       1.562577  66.55118       2.182291  68.73260       2.238415  -1.325020      1.901185  
1 1 1 -12 17 25 o 103.0524 1.145352  105.3211       2.343474  98.47666       3.096975  114.4905       3.584583  -7.750679      2.290704  
1 1 1 -12 17 26 o 13.40900 0.9623557 1.790093       0.2571900 1.913849       0.3837388 1.689165       0.3465419 0.8364878      1.924711  
1 1 1 -12 17 27 o 88.51933 1.012449  77.75648       1.780987  72.66363       2.362322  84.46320       2.710896  -6.650116      2.024897  
1 1 1 -12 17 28 o 89.22492 1.018361  79.65919       1.816256  81.32841       2.621738  78.11885       2.518518  1.793869       2.036721  
1 1 1 -12 17 29 o 189.4318 2.008833  360.2964       7.602748  351.4684       10.46850  370.1496       11.05966  -4.875656      4.017665  
1 1 1 -12 17 30 o 109.1551 1.209131  119.1056       2.634521  123.7837       3.873750  115.0797       3.593557  3.970268       2.418262  
1 1 1 -12 17 31 o 103.3515 1.485225  107.6724       3.037815  103.4006       4.591620  110.9979       4.051193  -3.717590      2.970449  
1 1 1 -12 17 32 o 19.34171 0.8418788 3.555777       0.3109989 5.500422       0.4996464 2.325860       0.3973567 8.201923       1.683758  
1 1 1 -12 17 33 o 28.99608 0.7019916 8.371441       0.4052317 8.846117       0.6087990 7.993830       0.5429973 1.466965       1.403983  
1 1 1 -12 17 34 o 9.870365 1.312382  0.8862518      0.2756485 2.100868       0.4407942 0.1062395      0.3532378 9.216738       2.624763  
1 1 1 -12 17 35 o 112.3320 1.530895  126.9770       3.246932  127.3986       3.986308  126.1461       5.596864  0.7280731      3.061791  
1 1 1 -12 17 36 o 23.99292 0.9588607 5.632615       0.4414782 5.316225       0.5448700 6.237295       0.7532583 -1.905005      1.917721  
1 1 1 -12 17 37 o 40.45374 0.8894483 16.35954       0.6862149 16.27825       0.8497916 16.51190       1.163363  -0.2663422     1.778897  
1 1 1 -12 17 38 f 47.92563 1.073477  22.81344       1.023074  25.11457       1.551511  21.04311       1.360854  4.229877       2.146953  
1 1 1 -12 17 39 o 19.73823 1.333310  3.801050       0.5173797 4.950046       0.8074603 3.000746       0.6738908 4.920761       2.666619  
1 1 1 -12 17 40 o 77.74674 1.921377  0.000000       0.000000  ?              ?         60.77492       2.987616  ?              ?         
1 1 1 -12 17 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 17 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 17 43 o 69.58879 1.285238  48.71305       1.788758  48.54810       2.526589  48.87880       2.532794  -0.2365952     2.570477  
1 1 1 -12 17 44 o 41.99964 1.083850  17.68792       0.9092231 16.46489       1.259589  19.01847       1.313794  -3.032085      2.167699  
1 1 1 -12 17 45 o 45.77523 1.108063  20.88168       1.009960  18.56366       1.363109  23.70303       1.503835  -5.592003      2.216126  
1 1 1 -12 17 46 f 46.04721 1.113015  21.30954       1.024937  21.49999       1.461186  21.12507       1.438049  0.4033432      2.226030  
1 1 1 -12 17 47 o 22.98027 1.382666  5.394248       0.6264052 4.473093       0.9024986 6.250513       0.8701295 -3.874161      2.765332  
1 1 1 -12 17 48 o 42.28325 1.035135  18.05229       0.8586835 17.55097       1.342443  18.39943       1.117099  -1.043594      2.070270  
1 1 1 -12 17 49 o 54.66142 1.077953  30.09183       1.154397  29.85162       1.822033  30.25291       1.492085  -0.4294968     2.155907  
1 1 1 -12 17 50 o 23.59188 1.214329  5.918904       0.5145811 4.867377       0.9187278 6.399576       0.6211569 -3.310944      2.428658  
1 1 1 -12 17 51 o 67.63506 1.116236  45.56023       1.399430  47.41453       2.526672  44.73967       1.680780  1.792252       2.232472  
1 1 1 -12 17 52 o 15.96299 1.754694  2.737717       0.4788277 2.416569       0.8965726 2.865868       0.5663626 -1.786318      3.509389  
1 1 1 -12 17 53 f 47.32845 1.460917  22.69355       1.271433  22.70716       2.304554  22.68760       1.524428  -0.2252045     2.921834  
1 1 1 -12 17 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 17 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 18 1  o 51.78848 0.8008964 27.16224       0.8188174 31.11867       1.134305  22.85731       1.183208  7.976749       1.601793  
1 1 1 -12 18 2  o 83.51196 0.9544217 69.69244       1.592628  67.99984       2.195995  71.57053       2.313205  -2.135872      1.908843  
1 1 1 -12 18 3  o 91.58412 1.028939  83.21671       1.872549  78.12166       2.483856  89.92525       2.850138  -6.437660      2.057879  
1 1 1 -12 18 4  f 129.9476 1.401821  169.0172       3.643110  168.3727       5.124566  169.6757       5.180154  -0.5000153     2.803642  
1 1 1 -12 18 5  o 183.9927 1.943021  338.5315       7.139024  328.7344       9.776715  349.7223       10.44899  -5.681274      3.886042  
1 1 1 -12 18 6  f 73.16769 0.8662735 53.05530       1.259683  57.92828       1.917023  49.35234       1.671110  5.856842       1.732547  
1 1 1 -12 18 7  f 135.1890 2.075571  183.1417       5.611832  183.0036       7.917565  183.2811       7.955227  -0.1012878     4.151142  
1 1 1 -12 18 8  o 206.5977 2.173247  426.6891       8.959489  412.0728       12.19070  443.8573       13.21211  -7.653809      4.346493  
1 1 1 -12 18 9  o 149.5447 1.601863  223.6259       4.784864  218.3976       6.572997  229.5199       6.978866  -3.707199      3.203727  
1 1 1 -12 18 10 o 44.61081 0.6625822 19.38515       0.5829651 16.76542       0.7525741 23.31553       0.9218051 -7.339344      1.325164  
1 1 1 -12 18 11 o 89.80524 1.016572  80.12940       1.816122  85.99088       2.745097  75.56681       2.421922  5.797462       2.033144  
1 1 1 -12 18 12 f 69.94492 0.8415989 48.67711       1.172867  51.91383       1.753852  46.05859       1.577498  4.182655       1.683198  
1 1 1 -12 18 13 o 150.5605 1.607131  226.7258       4.834056  220.9404       6.651242  233.2034       7.037908  -4.059479      3.214262  
1 1 1 -12 18 14 o 49.63199 0.6912926 24.61577       0.6857679 25.32017       0.9917029 23.97028       0.9493288 1.359261       1.382585  
1 1 1 -12 18 15 f 73.02379 0.8682522 53.21391       1.265862  51.14713       1.729231  55.60023       1.858109  -3.046547      1.736504  
1 1 1 -12 18 16 o 52.63264 0.7113701 27.71087       0.7487904 27.75012       1.064477  27.67241       1.053507  0.7363510E-01  1.422740  
1 1 1 -12 18 17 o 47.14361 0.6787071 22.13153       0.6384735 20.60450       0.8690814 23.92210       0.9410870 -3.517399      1.357414  
1 1 1 -12 18 18 o 95.57458 1.071834  91.35477       2.047589  93.33183       2.957747  89.53526       2.837453  1.982765       2.143668  
1 1 1 -12 18 19 o 134.3330 1.448159  179.2663       3.864335  168.7641       5.119767  193.1711       5.891029  -9.052444      2.896317  
1 1 1 -12 18 20 o 140.3418 1.507626  197.3484       4.231624  196.8774       5.969857  197.8241       5.999090  -0.3359070     3.015252  
1 1 1 -12 18 21 o 79.69295 0.9293421 63.55218       1.481110  64.17364       2.111736  62.95048       2.077888  0.7663879      1.858684  
1 1 1 -12 18 22 o 26.80047 0.6585384 7.122670       0.3512414 8.168602       0.5233874 6.265645       0.4737711 3.549128       1.317077  
1 1 1 -12 18 23 o 81.30728 0.9429899 66.06367       1.531576  68.18624       2.233438  64.17952       2.104278  2.459618       1.885980  
1 1 1 -12 18 24 o 29.86441 0.6473792 8.775072       0.3834401 10.35821       0.5867125 7.594768       0.5065982 4.624596       1.294758  
1 1 1 -12 18 25 o 68.55307 0.8390974 46.98079       1.149368  48.24673       1.669678  45.84062       1.584563  1.751816       1.678195  
1 1 1 -12 18 26 o 58.74857 0.7677152 33.83213       0.8902526 38.95257       1.404444  30.39272       1.151046  7.276360       1.535430  
1 1 1 -12 18 27 o 103.5005 1.153684  107.2357       2.386872  105.0689       3.310838  109.5805       3.444203  -2.172256      2.307369  
1 1 1 -12 18 28 o 25.18870 0.6902467 6.362049       0.3468816 6.114313       0.5022414 6.588016       0.4796663 -0.9410820     1.380493  
1 1 1 -12 18 29 o 81.51949 0.9588460 66.41431       1.561352  64.01432       2.143743  69.12575       2.278593  -3.128273      1.917692  
1 1 1 -12 18 30 o 64.44794 0.8180436 41.57193       1.054343  41.00362       1.480342  42.15702       1.502028  -0.8938599     1.636087  
1 1 1 -12 18 31 o 65.29662 0.8230687 42.63508       1.074211  41.28508       1.487746  44.10546       1.552658  -2.156586      1.646137  
1 1 1 -12 18 32 o 53.40529 0.7438752 28.51368       0.7940264 27.45855       1.099765  29.66261       1.147608  -2.061237      1.487750  
1 1 1 -12 18 33 o 53.10844 0.7452244 28.03643       0.7887263 25.69016       1.063655  30.90245       1.175579  -4.901360      1.490449  
1 1 1 -12 18 34 o 23.92085 0.7669045 5.739130       0.3639821 5.644145       0.5481169 5.814056       0.4868155 -0.3584633     1.533809  
1 1 1 -12 18 35 f 49.42376 0.7329615 24.37721       0.7232665 22.63204       0.9927781 26.35113       1.055839  -3.758820      1.465923  
1 1 1 -12 18 36 o 38.87613 0.7061253 15.10927       0.5473920 13.54872       0.7589074 16.80162       0.7903051 -4.181805      1.412251  
1 1 1 -12 18 37 o 31.48750 1.476139  0.000000       0.000000  ?              ?         9.942590       0.9295983 ?              ?         
1 1 1 -12 18 38 o 45.86974 1.016816  21.05966       0.9289474 21.56160       1.385089  20.64931       1.252374  0.9807091      2.033631  
1 1 1 -12 18 39 f 33.53804 1.001765  11.27153       0.6679060 11.37344       1.003035  11.19034       0.8952512 0.2615891      2.003531  
1 1 1 -12 18 40 f 8.115487 1.803774  0.6344712      0.3277170 0.8333034      0.4978879 0.4824770      0.4353130 1.751321       3.607548  
1 1 1 -12 18 41 o 64.71623 0.8501349 41.98597       1.100239  41.20701       1.552869  42.77119       1.559096  -1.207855      1.700270  
1 1 1 -12 18 42 o 25.22389 0.8317311 6.335484       0.4152026 6.667345       0.6416603 6.096444       0.5445808 1.121157       1.663462  
1 1 1 -12 18 43 o 48.68397 0.7676449 23.68603       0.7449802 24.56574       1.107016  22.95785       1.007170  1.640934       1.535290  
1 1 1 -12 18 44 o 37.17305 0.7622566 13.89555       0.5647826 12.79439       0.8078151 14.94850       0.7899317 -2.899326      1.524513  
1 1 1 -12 18 45 o 18.50655 1.062241  3.469771       0.3864615 3.271363       0.5948509 3.614677       0.5083618 -0.9409237     2.124482  
1 1 1 -12 18 46 o 12.57669 1.429250  1.574655       0.3543861 1.721786       0.5590978 1.475841       0.4581869 0.9546537      2.858500  
1 1 1 -12 18 47 o 59.09605 0.8436830 34.94256       0.9939145 36.27756       1.476815  33.83721       1.343797  2.045059       1.687366  
1 1 1 -12 18 48 o 22.38428 0.9954265 5.197773       0.4313532 4.019926       0.6426834 6.163322       0.5818886 -4.798130      1.990853  
1 1 1 -12 18 49 o 13.90624 1.396620  1.907862       0.3829579 2.235700       0.6070504 1.691143       0.4935632 1.928181       2.793240  
1 1 1 -12 18 50 o 20.39840 1.077421  4.230082       0.4325495 3.922482       0.6595561 4.462223       0.5729754 -1.341436      2.154842  
1 1 1 -12 18 51 o 24.63556 0.9968585 5.941079       0.4837701 7.118593       0.7697221 5.172250       0.6219644 3.917936       1.993717  
1 1 1 -12 18 52 o 53.08452 0.9376206 28.36646       0.9896386 28.64369       1.333206  28.02624       1.476923  0.6112404      1.875241  
1 1 1 -12 18 53 o 48.59710 1.217756  23.96343       1.177725  21.85795       1.695972  25.92436       1.636717  -4.200645      2.435512  
1 1 1 -12 18 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 18 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 19 1  o 67.18966 0.8128489 45.16460       1.092285  45.20088       1.540957  45.12795       1.548520  0.5441284E-01  1.625698  
1 1 1 -12 19 2  o 68.03249 0.8190663 46.23901       1.113466  47.82251       1.617055  44.81126       1.535468  2.211533       1.638133  
1 1 1 -12 19 3  f 62.58978 0.7766170 39.14652       0.9713269 38.19841       1.340470  40.19473       1.409452  -1.593529      1.553234  
1 1 1 -12 19 4  o 99.73338 1.107906  99.23186       2.204503  95.31380       2.993953  103.8716       3.258038  -4.283653      2.215812  
1 1 1 -12 19 5  o 45.18496 0.7179310 20.22074       0.6359176 21.41833       1.017291  19.45262       0.8147175 2.171864       1.435862  
1 1 1 -12 19 6  o 28.14661 0.6149097 7.863944       0.3448314 8.729837       0.5144811 7.157668       0.4646481 2.792118       1.229819  
1 1 1 -12 19 7  o 96.27602 1.076199  92.25040       2.063565  98.14664       3.094164  87.52690       2.769410  5.507195       2.152397  
1 1 1 -12 19 8  o 112.2305 1.228498  126.0644       2.757193  127.1873       3.934679  124.9811       3.864779  0.9809036      2.456996  
1 1 1 -12 19 9  f 65.94093 0.8082309 43.41700       1.064544  45.11273       1.554265  41.91859       1.461041  2.420204       1.616462  
1 1 1 -12 19 10 o 61.48122 0.7717223 37.80436       0.9487817 37.23074       1.327581  38.40319       1.356444  -0.9529686     1.543445  
1 1 1 -12 19 11 o 111.6672 1.223988  124.8188       2.733470  124.0975       3.844417  125.5564       3.887362  -0.6519241     2.447975  
1 1 1 -12 19 12 o 48.43919 0.6798342 23.42995       0.6579810 22.51815       0.9066841 24.44438       0.9563527 -1.987438      1.359668  
1 1 1 -12 19 13 o 148.5522 1.588186  221.0405       4.717558  218.5155       6.590236  223.6941       6.756125  -1.736023      3.176373  
1 1 1 -12 19 14 o 53.34617 0.7127869 28.22611       0.7563585 30.78684       1.144906  26.24305       1.007522  4.256031       1.425574  
1 1 1 -12 19 15 o 104.4372 1.156338  109.1932       2.415293  109.3071       3.416584  109.0795       3.414898  0.1089096      2.312677  
1 1 1 -12 19 16 o 156.8498 1.672744  246.6250       5.247378  246.3258       7.411467  246.9257       7.430395  -0.1902313     3.345488  
1 1 1 -12 19 17 o 37.09710 0.6428081 13.76818       0.4768741 13.53193       0.6743660 14.00448       0.6744376 -0.6369171     1.285616  
1 1 1 -12 19 18 f 189.8724 2.008508  361.7954       7.625495  357.5241       10.64968  366.2893       10.92370  -2.289734      4.017016  
1 1 1 -12 19 19 o 70.94189 0.8524663 50.35095       1.209290  50.96148       1.730314  49.76802       1.690760  0.8399963      1.704933  
1 1 1 -12 19 20 o 101.2210 1.128249  102.5891       2.284038  102.2696       3.224343  102.9109       3.235924  -0.3163147     2.256498  
1 1 1 -12 19 21 o 73.00433 0.8730597 53.17271       1.271828  55.75731       1.877279  50.97999       1.729116  3.266808       1.746119  
1 1 1 -12 19 22 o 29.77478 0.6346272 8.786977       0.3760440 9.751936       0.5670272 8.029365       0.5024268 2.890894       1.269254  
1 1 1 -12 19 23 o 40.43419 0.6568646 16.04544       0.5257813 18.71489       0.8172281 14.16008       0.6867984 5.628532       1.313729  
1 1 1 -12 19 24 o 71.84309 0.8684855 51.49795       1.245179  49.25639       1.694169  54.13139       1.836305  -3.387108      1.736971  
1 1 1 -12 19 25 o 69.33051 0.8484947 47.13802       1.160031  53.91841       1.837052  42.64133       1.496031  8.118851       1.696989  
1 1 1 -12 19 26 o 60.38246 0.7790363 36.42287       0.9395177 37.77269       1.372952  35.23414       1.288430  2.098694       1.558073  
1 1 1 -12 19 27 f 76.58527 1.267514  58.52477       1.933929  61.74674       2.891491  55.91681       2.601426  3.786514       2.535027  
1 1 1 -12 19 28 o 75.09989 0.9031211 56.47070       1.356396  56.54359       1.929974  56.39957       1.906704  0.9472656E-01  1.806242  
1 1 1 -12 19 29 o 46.90633 0.7011706 21.90913       0.6554941 23.31082       0.9779677 20.76577       0.8832664 2.709026       1.402341  
1 1 1 -12 19 30 o 28.21536 0.7050944 7.986111       0.3951489 6.827991       0.5527601 9.196488       0.5650938 -4.196615      1.410189  
1 1 1 -12 19 31 o 32.17197 0.6969048 10.33639       0.4448677 8.648059       0.6120828 12.22695       0.6477031 -5.560392      1.393810  
1 1 1 -12 19 32 o 92.05852 1.055327  84.51600       1.936304  80.17466       2.609590  89.83402       2.888259  -5.225624      2.110654  
1 1 1 -12 19 33 o 67.37575 0.8464161 45.43767       1.140204  44.19387       1.589539  46.75598       1.636468  -1.898293      1.692832  
1 1 1 -12 19 34 o 21.82075 1.043472  5.337693       0.4025945 3.317628       0.6677615 6.491289       0.5046211 -7.285040      2.086944  
1 1 1 -12 19 35 o 52.01817 1.034193  27.01832       1.070928  28.25798       1.607401  26.02883       1.436081  2.126873       2.068387  
1 1 1 -12 19 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 19 37 o 50.91261 0.8042733 25.92543       0.8152111 25.51615       1.097575  26.42903       1.217494  -0.8864326     1.608547  
1 1 1 -12 19 38 o 45.98670 0.7381588 21.13729       0.6778087 19.52566       0.9367477 22.90833       0.9819841 -3.674248      1.476318  
1 1 1 -12 19 39 o 33.18636 0.7335421 10.88251       0.4830182 12.25646       0.7423716 9.873870       0.6360654 3.580580       1.467084  
1 1 1 -12 19 40 o 34.23064 0.7465934 11.78078       0.5091951 10.73912       0.7265357 12.78639       0.7138532 -2.991585      1.493187  
1 1 1 -12 19 41 o 29.50230 0.7827864 8.595083       0.4552061 9.461273       0.7194616 8.016867       0.5878223 2.434168       1.565573  
1 1 1 -12 19 42 o 111.7237 1.260213  125.5648       2.815580  123.9249       3.944876  127.2675       4.019846  -1.482964      2.520426  
1 1 1 -12 19 43 o 86.29189 1.030344  74.76751       1.777452  75.45181       2.556007  74.12671       2.473421  0.7554398      2.060688  
1 1 1 -12 19 44 o 32.64522 0.8051403 10.75111       0.5209651 10.13033       0.7775423 11.25681       0.7017807 -1.734406      1.610281  
1 1 1 -12 19 45 o 32.67588 0.8007482 10.44759       0.5159027 12.32758       0.8178650 9.205201       0.6648643 4.757383       1.601496  
1 1 1 -12 19 46 o 14.54563 1.323900  2.138244       0.3791411 2.110813       0.5883612 2.157724       0.4958122 -0.1827316     2.647800  
1 1 1 -12 19 47 o 30.61346 0.8301867 9.447618       0.5027408 9.091211       0.7617247 9.722695       0.6691943 -1.045004      1.660373  
1 1 1 -12 19 48 o 14.85291 1.349480  2.119120       0.3903466 2.938428       0.6325095 1.615126       0.4960853 4.419629       2.698960  
1 1 1 -12 19 49 f 32.87311 0.8442383 10.83549       0.5522025 10.99074       0.8264271 10.71027       0.7422085 0.4123688      1.688477  
1 1 1 -12 19 50 o 35.89441 0.8312810 12.78644       0.5917430 14.10478       0.9114966 11.82604       0.7779763 3.149483       1.662562  
1 1 1 -12 19 51 f 31.24121 1.027809  9.658921       0.6311776 8.988309       0.8094404 10.69924       1.008165  -2.692947      2.055618  
1 1 1 -12 19 52 o 27.16968 1.389148  7.745945       0.7225025 6.350566       1.137209  8.690407       0.9355916 -4.370392      2.778296  
1 1 1 -12 19 53 o 9.320776 4.247881  -0.9159889     1.760128  -0.9159889     1.760128  ?              ?         ?              ?         
1 1 1 -12 19 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 20 1  f 59.03322 0.7497376 34.55675       0.8804436 37.87318       1.332196  31.98481       1.173178  4.983543       1.499475  
1 1 1 -12 20 2  o 107.3486 1.181535  115.3760       2.536670  115.9243       3.601689  114.8364       3.573267  0.5056763      2.363070  
1 1 1 -12 20 3  o 29.67969 0.6660979 8.861038       0.3894780 8.514699       0.5988660 9.114906       0.5127227 -1.012903      1.332196  
1 1 1 -12 20 4  f 58.81886 0.8166013 34.79865       0.9536901 36.43102       1.292596  32.84840       1.412856  3.048470       1.633203  
1 1 1 -12 20 5  o 41.93324 0.6405340 17.29295       0.5323557 15.36492       0.6984408 19.96596       0.8223808 -5.483707      1.281068  
1 1 1 -12 20 6  o 82.45238 0.9504085 67.31909       1.555322  73.72540       2.384842  62.57769       2.051678  6.750366       1.900817  
1 1 1 -12 20 7  o 17.72414 0.7455080 3.150916       0.2627927 3.565650       0.3741108 2.746939       0.3692275 2.309481       1.491016  
1 1 1 -12 20 8  o 161.5076 1.719254  260.6630       5.538120  272.6897       8.205736  250.6020       7.505229  6.800323       3.438508  
1 1 1 -12 20 9  o 37.27656 0.6430047 13.77829       0.4770806 12.65704       0.6378171 15.20238       0.7188087 -3.412472      1.286009  
1 1 1 -12 20 10 o 109.1068 1.201248  118.8445       2.615256  124.2283       3.859807  114.2750       3.555914  4.549484       2.402495  
1 1 1 -12 20 11 o 78.23962 0.9165490 61.20507       1.433160  59.85555       1.981637  62.68503       2.075188  -1.805405      1.833098  
1 1 1 -12 20 12 o 74.93002 0.8874239 55.73589       1.322428  60.34489       2.003433  52.17712       1.760435  5.443085       1.774848  
1 1 1 -12 20 13 o 57.60222 0.7455757 33.19759       0.8589342 33.09555       1.213336  33.30009       1.216101  -0.1774788     1.491151  
1 1 1 -12 20 14 o 68.23120 0.8296567 46.23668       1.126271  49.92957       1.701754  43.35837       1.502386  4.809731       1.659313  
1 1 1 -12 20 15 o 32.29464 0.6282952 10.16771       0.4005996 12.40757       0.6279338 8.630412       0.5202149 5.845587       1.256590  
1 1 1 -12 20 16 o 17.53788 0.7846858 2.998389       0.2699477 3.981674       0.4171591 2.289998       0.3540777 4.821107       1.569372  
1 1 1 -12 20 17 o 135.9560 1.466133  185.2266       3.985515  182.8416       5.559381  187.7484       5.716647  -1.795380      2.932266  
1 1 1 -12 20 18 o 100.6640 1.124223  101.4738       2.263116  100.6790       3.172029  102.2978       3.229811  -0.8012848     2.248445  
1 1 1 -12 20 19 o 84.58429 0.9746147 70.82314       1.635118  77.76975       2.515955  65.74369       2.151414  7.093147       1.949229  
1 1 1 -12 20 20 f 24.93859 0.6763400 6.231427       0.3355915 5.437685       0.4694234 7.061160       0.4799478 -3.254625      1.352680  
1 1 1 -12 20 21 o 97.40120 1.096207  93.98486       2.117499  102.7954       3.259423  87.55092       2.785342  7.801422       2.192415  
1 1 1 -12 20 22 o 63.82207 0.8020874 40.76735       1.023751  40.85848       1.456843  40.67844       1.438930  0.1403542      1.604175  
1 1 1 -12 20 23 o 18.09143 0.8033378 3.318844       0.2868891 2.845688       0.4189651 3.736572       0.3936611 -2.463190      1.606676  
1 1 1 -12 20 24 o 47.41115 0.7040737 22.48731       0.6671875 22.69644       0.9629213 22.29421       0.9252945 0.4227905      1.408147  
1 1 1 -12 20 25 o 87.87899 1.407276  77.37003       2.471542  75.15953       3.415274  79.80053       3.581205  -2.627853      2.814552  
1 1 1 -12 20 26 o 74.73033 0.8964437 55.91085       1.339743  55.28011       1.881750  56.55923       1.907886  -0.8544998     1.792887  
1 1 1 -12 20 27 o 63.60664 0.8100774 40.50399       1.030490  40.45013       1.462930  40.55704       1.451799  -0.8459473E-01 1.620155  
1 1 1 -12 20 28 o 28.84676 0.6831906 8.187449       0.3907106 9.513628       0.6020663 7.222625       0.5135311 3.966925       1.366381  
1 1 1 -12 20 29 o 34.11402 0.6765860 11.65704       0.4607389 11.49667       0.6701248 11.80082       0.6345001 -0.4474792     1.353172  
1 1 1 -12 20 30 o 83.72413 0.9810449 69.87939       1.636299  74.07622       2.448332  66.49157       2.199732  4.512253       1.962090  
1 1 1 -12 20 31 o 70.40092 1.051342  50.34740       1.421744  47.20761       2.325729  52.22086       1.796514  -3.603157      2.102685  
1 1 1 -12 20 32 o 27.86332 0.9483752 7.586824       0.5210907 8.992851       0.8254678 6.655323       0.6718848 4.182463       1.896750  
1 1 1 -12 20 33 o 106.2499 1.674623  113.4862       3.554422  109.7610       4.884920  117.6777       5.181615  -3.681480      3.349245  
1 1 1 -12 20 34 o 27.26152 0.7441142 7.463006       0.4044991 7.113611       0.5863422 7.780291       0.5587508 -1.224743      1.488228  
1 1 1 -12 20 35 o 39.38306 1.057144  15.46236       0.8292193 13.66502       1.127417  17.58050       1.223903  -4.960415      2.114289  
1 1 1 -12 20 36 o 51.17588 0.7500681 26.22720       0.7671028 26.41075       1.108799  26.05871       1.062384  0.3402138      1.500136  
1 1 1 -12 20 37 o 68.70042 0.8713912 47.17644       1.195418  44.84480       1.635765  49.84908       1.751296  -3.630547      1.742782  
1 1 1 -12 20 38 o 55.46559 0.7857681 30.66974       0.8680645 32.53109       1.300727  29.17500       1.165614  3.012379       1.571536  
1 1 1 -12 20 39 o 70.13838 0.8905454 49.31616       1.248939  48.01453       1.745937  50.68024       1.787322  -1.895500      1.781091  
1 1 1 -12 20 40 f 91.82775 1.072651  84.39190       1.963918  88.41207       2.917466  81.06067       2.655744  3.964676       2.145302  
1 1 1 -12 20 41 o 51.77928 0.7811041 26.83606       0.8069835 27.43670       1.188218  26.32182       1.099440  1.066772       1.562208  
1 1 1 -12 20 42 o 26.04804 0.8685895 6.689490       0.4481237 7.678668       0.6952416 5.986448       0.5861233 3.234373       1.737179  
1 1 1 -12 20 43 o 74.51524 0.9389425 55.70613       1.398868  54.07211       1.950784  57.43568       2.007009  -2.248741      1.877885  
1 1 1 -12 20 44 o 66.94821 0.8847635 44.83112       1.180767  46.89088       1.756511  43.13299       1.594881  2.781845       1.769527  
1 1 1 -12 20 45 o 9.775503 1.723677  0.9091634      0.3533576 1.619061       0.5606324 0.4412811      0.4551440 5.335928       3.447353  
1 1 1 -12 20 46 o 17.88812 1.150259  3.299453       0.3991099 2.841632       0.6193681 3.624538       0.5219147 -2.208284      2.300519  
1 1 1 -12 20 47 o 34.25597 0.8289676 11.77538       0.5643885 11.81582       0.8474771 11.74314       0.7565684 0.9131622E-01  1.657935  
1 1 1 -12 20 48 o 13.19328 1.575971  1.884949       0.3873504 1.390698       0.5952360 2.247993       0.5101472 -3.474764      3.151942  
1 1 1 -12 20 49 o 66.87952 0.9133098 44.94420       1.221084  43.08073       1.708886  46.88824       1.745441  -2.839088      1.826620  
1 1 1 -12 20 50 o 23.94692 1.205948  5.864205       0.5661528 6.248250       0.7462757 5.343484       0.8689818 1.921963       2.411897  
1 1 1 -12 20 51 o 24.46299 1.460553  6.036748       0.6980025 6.233989       1.121182  5.911922       0.8919334 0.5776253      2.921105  
1 1 1 -12 20 52 o 16.00932 2.172724  3.040053       0.6234472 1.808234       1.070547  3.672218       0.7669151 -6.038051      4.345448  
1 1 1 -12 20 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 21 1  o 136.1234 2.102377  186.1730       5.723104  184.9657       8.028380  187.4204       8.160623  -0.8908997     4.204754  
1 1 1 -12 21 2  o 77.84482 1.338009  60.61755       2.081092  62.85428       3.026373  58.61110       2.866360  2.717323       2.676018  
1 1 1 -12 21 3  o 76.71036 1.323840  58.95350       2.030995  59.49022       2.875062  58.41887       2.869467  0.6980286      2.647679  
1 1 1 -12 21 4  o 96.54000 1.568088  93.01434       3.018147  98.64734       4.490232  88.37195       4.076334  5.297897       3.136175  
1 1 1 -12 21 5  o 102.5823 1.416589  104.5308       2.693526  107.8950       4.856864  103.0365       3.236907  2.285042       2.833179  
1 1 1 -12 21 6  o 109.9507 1.209039  120.9358       2.656356  124.2730       3.855666  117.9206       3.664900  2.880280       2.418078  
1 1 1 -12 21 7  o 120.1570 1.308544  144.1065       3.135445  151.3090       4.653054  138.1160       4.243561  5.469986       2.617088  
1 1 1 -12 21 8  o 73.37257 0.8727775 53.80646       1.279640  55.57135       1.857736  52.21305       1.765179  2.285469       1.745555  
1 1 1 -12 21 9  o 99.10065 1.105602  97.93059       2.184325  103.2810       3.249701  93.52106       2.950179  4.911453       2.211204  
1 1 1 -12 21 10 o 21.08441 0.6660581 4.382320       0.2787699 5.139000       0.4240432 3.806379       0.3699499 3.158777       1.332116  
1 1 1 -12 21 11 o 54.82248 0.7275693 29.97405       0.7962179 31.69016       1.171164  28.49919       1.085728  2.907730       1.455139  
1 1 1 -12 21 12 o 27.53740 0.6330116 7.530038       0.3473154 8.326287       0.5184078 6.881573       0.4678328 2.621828       1.266023  
1 1 1 -12 21 13 o 79.84039 0.9302509 63.77742       1.484837  62.62036       2.064683  65.01688       2.136933  -1.497879      1.860502  
1 1 1 -12 21 14 o 67.25512 0.8258669 44.85616       1.104244  41.66456       1.467038  49.02799       1.677263  -5.466522      1.651734  
1 1 1 -12 21 15 o 126.6734 1.375897  160.8421       3.485663  161.6037       4.954813  160.0959       4.904515  0.5920563      2.751794  
1 1 1 -12 21 16 o 47.51983 0.6911943 22.09559       0.6486851 25.89488       1.020618  19.52063       0.8402283 6.701225       1.382389  
1 1 1 -12 21 17 o 121.1994 1.323494  147.1758       3.207069  149.3644       4.607162  145.1183       4.467042  1.743004       2.646989  
1 1 1 -12 21 18 o 78.84626 0.9267527 62.04543       1.458116  65.03694       2.151692  59.50505       1.982820  3.500473       1.853505  
1 1 1 -12 21 19 o 63.27561 0.7986644 40.06941       1.010629  40.41371       1.440992  39.73611       1.417780  0.5345116      1.597329  
1 1 1 -12 21 20 o 40.42033 0.6626673 16.12829       0.5319024 18.33976       0.8127954 14.47183       0.7034454 4.780857       1.325335  
1 1 1 -12 21 21 o 37.24197 0.8602589 13.82481       0.6388471 12.43429       0.8745097 15.41606       0.9355036 -4.000435      1.720518  
1 1 1 -12 21 22 o 72.05840 1.203551  51.36649       1.717086  56.68233       2.665894  47.59765       2.244713  6.275955       2.407102  
1 1 1 -12 21 23 o 81.08299 0.9523598 65.83028       1.544165  66.35358       2.206616  65.32810       2.161636  0.6299438      1.904720  
1 1 1 -12 21 24 o 94.85196 1.077486  90.10789       2.043311  91.51979       2.936882  88.78325       2.844678  1.436562       2.154971  
1 1 1 -12 21 25 o 127.0480 1.386807  161.5462       3.516061  168.3608       5.183378  155.7379       4.785360  4.931564       2.773614  
1 1 1 -12 21 26 o 105.3739 1.177644  111.3390       2.481797  111.6797       3.524164  111.0039       3.495594  0.3183517      2.355287  
1 1 1 -12 21 27 o 39.55621 0.6819956 15.57201       0.5373964 13.77390       0.7323428 17.66987       0.7910324 -4.921806      1.363991  
1 1 1 -12 21 28 o 31.96386 0.9074411 10.23593       0.5752783 8.555256       0.7970654 12.06336       0.8311365 -5.485359      1.814882  
1 1 1 -12 21 29 o 75.18747 1.260491  56.60229       1.892933  54.18945       2.596298  59.34036       2.765754  -3.408218      2.520983  
1 1 1 -12 21 30 o 28.82274 0.9340829 8.382552       0.5345945 7.423150       0.7694384 9.277880       0.7433006 -3.219528      1.868166  
1 1 1 -12 21 31 o 14.18905 1.073300  2.017373       0.3018337 2.032703       0.4595057 2.005738       0.4003062 0.8931065E-01  2.146600  
1 1 1 -12 21 32 f 90.82880 1.048272  82.61206       1.902169  79.91639       2.616158  85.63548       2.770630  -3.132332      2.096545  
1 1 1 -12 21 33 o 24.32745 0.7622243 5.860964       0.3680639 6.471769       0.5643634 5.408884       0.4855288 2.178268       1.524449  
1 1 1 -12 21 34 o 77.18615 1.342883  59.63509       2.066794  56.62872       2.793816  63.26921       3.071681  -4.261612      2.685766  
1 1 1 -12 21 35 o 29.84976 0.7387797 8.900441       0.4393003 9.198210       0.6553499 8.657461       0.5919982 0.9004440      1.477559  
1 1 1 -12 21 36 o 8.529738 1.542176  0.6530210      0.2896605 1.323192       0.4587305 0.2086262      0.3735505 5.500470       3.084353  
1 1 1 -12 21 37 o 32.44558 0.7401854 10.57122       0.4782212 10.27944       0.7045810 10.82046       0.6511846 -0.8388329     1.480371  
1 1 1 -12 21 38 o 75.63535 0.9320271 57.36160       1.409447  55.79501       1.964944  59.02186       2.022835  -2.125870      1.864054  
1 1 1 -12 21 39 o 39.76327 0.7471821 15.43358       0.5845898 18.18352       0.9350854 13.66921       0.7490070 5.657166       1.494364  
1 1 1 -12 21 40 o 32.32311 0.7685933 10.49784       0.4956725 9.826886       0.7087538 11.14016       0.6934696 -2.033182      1.537187  
1 1 1 -12 21 41 o 35.83592 0.7606831 12.52534       0.5367507 14.94585       0.8558955 10.95634       0.6890950 5.547272       1.521366  
1 1 1 -12 21 42 f 33.17601 0.7803161 10.99078       0.5123798 11.35749       0.7888511 10.72317       0.6738836 0.9410896      1.560632  
1 1 1 -12 21 43 o 34.46270 0.7876880 11.95191       0.5402656 11.46700       0.7948737 12.36828       0.7365564 -1.315678      1.575376  
1 1 1 -12 21 44 o 53.83566 0.8132052 29.02196       0.8728378 29.76855       1.293325  28.39751       1.182822  1.257423       1.626410  
1 1 1 -12 21 45 o 26.65685 0.8853914 7.110868       0.4680568 7.320092       0.7140853 6.953269       0.6197565 0.6723804      1.770783  
1 1 1 -12 21 46 f 22.94879 0.9808132 5.323272       0.4398689 5.157732       0.6949752 5.433907       0.5681512 -0.6262989     1.961626  
1 1 1 -12 21 47 o 37.24017 0.8165638 13.98931       0.6052939 12.77005       0.8710365 15.12795       0.8417448 -3.170902      1.633128  
1 1 1 -12 21 48 o 54.96548 0.8580832 30.33519       0.9421002 28.27413       1.316136  32.50092       1.349138  -3.838707      1.716166  
1 1 1 -12 21 49 o 36.73635 1.004696  13.56165       0.7248124 13.46735       0.9385018 13.70104       1.140991  -0.2716370     2.009392  
1 1 1 -12 21 50 o 60.38276 1.251914  36.88344       1.506153  36.62449       2.224442  37.10266       2.046687  -0.4513130     2.503828  
1 1 1 -12 21 51 o 39.17929 1.207460  15.41899       0.9305977 15.97172       1.465127  15.04520       1.204850  1.105892       2.414920  
1 1 1 -12 21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 22 1  o 62.16037 0.7849906 38.66809       0.9758752 39.02080       1.386525  38.32186       1.373756  0.5617409      1.569981  
1 1 1 -12 22 2  o 97.37834 1.092111  94.83141       2.124436  92.22489       2.919988  97.76276       3.096596  -2.834557      2.184221  
1 1 1 -12 22 3  o 52.09881 0.7131986 27.15583       0.7429354 26.95572       1.037077  27.36678       1.064811  -0.3935966     1.426397  
1 1 1 -12 22 4  o 62.58402 0.7853373 39.16414       0.9823687 38.26942       1.360178  40.13974       1.420332  -1.492081      1.570675  
1 1 1 -12 22 5  o 58.85621 0.7611471 34.48094       0.8932248 37.07440       1.328228  32.33967       1.206892  4.018044       1.522294  
1 1 1 -12 22 6  o 34.75818 0.8745336 12.11879       0.5308565 12.14574       0.6159614 12.04099       1.046661  0.1674271      1.749067  
1 1 1 -12 22 7  f 64.12951 1.196802  40.76635       1.525922  45.34753       2.316855  37.25674       2.027864  6.292210       2.393605  
1 1 1 -12 22 8  o 129.6781 2.015725  169.0499       5.227574  168.3119       7.345041  169.8075       7.441719  -0.5676422     4.031451  
1 1 1 -12 22 9  o 128.5498 2.001048  166.1088       5.144428  167.5478       7.320393  164.7048       7.231067  1.097458       4.002096  
1 1 1 -12 22 10 o 146.7071 2.254869  216.6634       6.615365  215.1638       9.274264  218.2166       9.438988  -1.022949      4.509738  
1 1 1 -12 22 11 o 54.22184 0.9252737 29.71149       0.9364422 28.65396       1.638723  30.22428       1.141113  -1.469574      1.850547  
1 1 1 -12 22 12 o 48.92925 0.6952232 23.88764       0.6792390 22.75263       0.9289473 25.19163       0.9957011 -2.490124      1.390446  
1 1 1 -12 22 13 o 65.21143 0.8113545 42.56387       1.058168  42.65691       1.502230  42.47223       1.490785  0.1411362      1.622709  
1 1 1 -12 22 14 o 75.91873 0.9002986 57.58650       1.365135  55.56276       1.872038  59.88484       1.995010  -2.840904      1.800597  
1 1 1 -12 22 15 o 103.3410 1.152465  106.7726       2.377941  110.7955       3.486842  103.2748       3.251330  3.624695       2.304930  
1 1 1 -12 22 16 o 57.99720 0.7679701 33.53012       0.8882031 35.39441       1.318678  31.98199       1.201677  2.937111       1.535940  
1 1 1 -12 22 17 o 17.30016 0.9876642 3.037311       0.3363187 2.723297       0.5067114 3.284574       0.4496397 -1.625179      1.975328  
1 1 1 -12 22 18 o 94.54400 1.073668  89.52793       2.029880  88.57214       2.841398  90.52418       2.900894  -1.028824      2.147336  
1 1 1 -12 22 19 o 29.04024 0.6626121 8.413842       0.3841452 8.855621       0.5645388 8.032905       0.5242252 1.415010       1.325224  
1 1 1 -12 22 20 o 60.20552 0.7813641 36.27625       0.9407507 35.69820       1.319332  36.87416       1.341797  -0.9755974     1.562728  
1 1 1 -12 22 21 o 111.4751 1.235754  124.4337       2.752196  121.1377       3.788434  128.1172       4.004972  -3.113792      2.471508  
1 1 1 -12 22 22 f 61.77560 0.7986664 37.99725       0.9836088 35.62605       1.327707  40.88175       1.464381  -4.246498      1.597333  
1 1 1 -12 22 23 o 86.91953 1.006701  75.70154       1.750033  75.43060       2.471287  75.97407       2.478570  -0.3121109     2.013402  
1 1 1 -12 22 24 o 16.00228 1.249785  3.020897       0.3281060 1.576090       0.5381758 3.875600       0.4139300 -7.346982      2.499570  
1 1 1 -12 22 25 o 25.23268 0.9481407 6.453576       0.4711604 5.202349       0.6704805 7.674232       0.6622389 -4.898735      1.896281  
1 1 1 -12 22 26 f 41.63470 0.9115207 17.31009       0.7564643 18.02473       1.125289  16.72085       1.021789  1.558411       1.823041  
1 1 1 -12 22 27 o 44.61592 0.8205912 20.13228       0.7162285 20.96074       0.9323081 18.93921       1.118806  2.278099       1.641182  
1 1 1 -12 22 28 o 16.10624 0.9794111 2.681572       0.3057314 2.074829       0.4541441 3.184460       0.4134537 -3.448103      1.958822  
1 1 1 -12 22 29 f 45.48769 0.7132255 20.57438       0.6460962 22.28496       0.9700429 19.21048       0.8661876 3.372520       1.426451  
1 1 1 -12 22 30 o 26.12439 0.7406943 6.735248       0.3841429 7.794085       0.5865403 5.939945       0.5083342 3.542799       1.481389  
1 1 1 -12 22 31 o 52.24364 0.7521025 27.15682       0.7820520 29.14848       1.178387  25.58910       1.045480  3.396038       1.504205  
1 1 1 -12 22 32 o 56.72333 0.7833827 32.16534       0.8872464 33.41107       1.300861  31.08179       1.213230  2.045750       1.566765  
1 1 1 -12 22 33 o 56.58028 1.164089  31.90530       1.312108  35.29015       1.961619  29.16466       1.765103  5.386776       2.328178  
1 1 1 -12 22 34 o 41.75061 0.7274096 17.47451       0.6069487 17.06243       0.8684621 17.86796       0.8485928 -0.9664421     1.454819  
1 1 1 -12 22 35 o 29.23547 0.7580870 8.247294       0.4349463 10.54560       0.6982942 6.790404       0.5559658 6.408371       1.516174  
1 1 1 -12 22 36 f 49.77846 0.7597010 24.80956       0.7555779 25.34289       1.097755  24.32943       1.041556  1.012211       1.519402  
1 1 1 -12 22 37 o 40.44150 0.7436156 16.26404       0.5981324 17.56169       0.9055361 15.25967       0.7966590 2.834949       1.487231  
1 1 1 -12 22 38 f 56.20969 0.7994452 31.52211       0.8952465 33.38717       1.339005  30.01446       1.203886  2.984417       1.598890  
1 1 1 -12 22 39 o 18.97004 0.9705241 3.625929       0.3621085 3.538261       0.5622312 3.688072       0.4733581 -0.4075508     1.941048  
1 1 1 -12 22 40 o 22.39877 0.8939290 5.035213       0.3972127 5.036532       0.6011965 5.034191       0.5291605 -0.5151749E-02 1.787858  
1 1 1 -12 22 41 o 46.96878 0.7770860 22.15140       0.7290538 21.47790       1.047302  22.78463       1.015509  -1.395370      1.554172  
1 1 1 -12 22 42 o 30.88176 0.8021024 9.414554       0.4894326 10.53503       0.7675359 8.646738       0.6353694 3.038559       1.604205  
1 1 1 -12 22 43 o 56.21157 0.8255637 31.65042       0.9261699 32.55974       1.362091  30.86846       1.263106  1.489494       1.651127  
1 1 1 -12 22 44 o 45.84799 0.8082302 20.94828       0.7362358 22.33969       1.119908  19.88923       0.9770420 2.649734       1.616460  
1 1 1 -12 22 45 o 25.72838 0.9190418 6.572220       0.4655042 7.087001       0.7366937 6.230065       0.6006011 1.640053       1.838084  
1 1 1 -12 22 46 f 23.37346 0.9853641 5.589359       0.4519846 4.880553       0.6806122 6.148562       0.6045349 -2.729031      1.970728  
1 1 1 -12 22 47 o 9.233095 1.915786  0.8005505      0.3816855 1.297948       0.6193854 0.4960270      0.4846405 3.625023       3.831572  
1 1 1 -12 22 48 o 17.87129 1.701302  3.318253       0.5897256 2.959873       0.9254360 3.563283       0.7652167 -1.751362      3.402604  
1 1 1 -12 22 49 o 27.29041 1.380679  7.784019       0.7266790 6.433259       1.125945  8.748321       0.9513379 -4.300789      2.761359  
1 1 1 -12 22 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 23 1  o 29.22237 0.6157153 8.541928       0.3597636 8.439320       0.5021242 8.650167       0.5157131 -0.3603115     1.231431  
1 1 1 -12 23 2  o 20.82829 0.6867931 4.303241       0.2804896 5.616805       0.4182571 3.229702       0.3781174 5.728977       1.373586  
1 1 1 -12 23 3  o 8.220022 1.210835  0.7040125      0.2090138 1.233419       0.3006963 0.2090990      0.2907356 5.756387       2.421671  
1 1 1 -12 23 4  o 12.11750 0.9536250 1.472449       0.2282265 1.790923       0.3302537 1.181322       0.3157563 2.514643       1.907250  
1 1 1 -12 23 5  o 57.35494 0.8523498 32.88718       0.9765781 33.81215       1.422957  32.06359       1.342714  1.520676       1.704700  
1 1 1 -12 23 6  o 110.4456 1.699016  121.8338       3.736414  115.7101       5.008828  129.5168       5.610362  -6.195724      3.398031  
1 1 1 -12 23 7  o 58.81696 1.018634  34.23814       1.188815  37.88606       1.826396  31.55638       1.565968  5.366585       2.037267  
1 1 1 -12 23 8  o 37.82520 0.7856022 14.26867       0.5856327 14.62189       0.9144517 14.02307       0.7625176 0.7851601      1.571204  
1 1 1 -12 23 9  o 49.88661 0.7173680 24.29336       0.7056846 21.35951       0.9097403 28.72561       1.118177  -7.374733      1.434736  
1 1 1 -12 23 10 f 87.80777 1.010857  76.96758       1.770720  73.84807       2.403020  80.67384       2.619284  -3.874886      2.021714  
1 1 1 -12 23 11 o 68.36507 0.8398841 46.66108       1.146213  48.80702       1.685132  44.81337       1.563655  2.915245       1.679768  
1 1 1 -12 23 12 o 61.96973 0.8608274 38.59115       1.058295  39.69129       1.421298  37.22226       1.585427  1.999897       1.721655  
1 1 1 -12 23 13 o 14.08372 1.362983  1.965816       0.3314396 1.943146       0.3811104 2.036177       0.6714243 -0.3087549     2.725966  
1 1 1 -12 23 14 o 85.97097 1.446331  74.00577       2.483532  77.10463       3.628664  71.27499       3.406356  3.372025       2.892662  
1 1 1 -12 23 15 o 35.78917 1.045640  12.81050       0.7477662 12.32364       1.030987  13.35087       1.086172  -1.431686      2.091280  
1 1 1 -12 23 16 o 108.8110 1.739627  119.0121       3.785554  120.1261       5.392164  117.9294       5.315816  1.001213       3.479253  
1 1 1 -12 23 17 o 62.80556 1.185659  39.54832       1.489292  39.80666       2.105513  39.28964       2.106841  0.4117088      2.371317  
1 1 1 -12 23 18 o 41.76015 0.8783501 16.39830       0.6415876 19.69092       1.317253  15.37425       0.7346150 5.133671       1.756700  
1 1 1 -12 23 19 o 173.0309 1.849501  301.4084       6.400020  299.4483       8.991206  303.4214       9.111995  -1.132416      3.699001  
1 1 1 -12 23 20 o 68.90138 0.8535451 47.54260       1.176206  47.41714       1.663376  47.66808       1.663436  -0.1820984     1.707090  
1 1 1 -12 23 21 o 84.43808 1.201604  70.65471       1.895621  73.87803       3.377822  69.17285       2.290275  2.694382       2.403207  
1 1 1 -12 23 22 o 110.5356 1.719922  122.9532       3.802151  122.9152       5.396374  122.9908       5.357938  -0.3919220E-01 3.439845  
1 1 1 -12 23 23 o 69.55774 1.182294  48.53453       1.644658  47.80285       2.317928  49.27636       2.333950  -1.057671      2.364587  
1 1 1 -12 23 24 o 70.17979 1.039618  49.16666       1.388239  48.69869       1.712812  50.06269       2.370082  -0.9151993     2.079237  
1 1 1 -12 23 25 o 59.09352 0.7862436 34.93183       0.9286173 33.83193       1.284903  36.13449       1.343588  -1.944221      1.572487  
1 1 1 -12 23 26 o 75.06269 0.9124807 56.44629       1.369555  55.51424       1.912085  57.42823       1.962589  -1.270645      1.824961  
1 1 1 -12 23 27 o 86.44371 1.010423  74.79946       1.744695  72.25819       2.395178  77.67200       2.546514  -3.116135      2.020846  
1 1 1 -12 23 28 f 47.65267 0.7301300 22.74339       0.6958058 22.39106       0.9820399 23.09858       0.9860082 -0.7420692     1.460260  
1 1 1 -12 23 29 f 74.89751 0.9141426 56.04519       1.365833  58.82214       2.021005  53.71058       1.853061  3.396065       1.828285  
1 1 1 -12 23 30 o 71.16791 0.8852995 50.76960       1.260045  50.25019       1.772527  51.30023       1.791572  -0.7358322     1.770599  
1 1 1 -12 23 31 o 76.10751 0.9293361 57.90580       1.411143  60.62506       2.085412  55.60902       1.916576  3.276917       1.858672  
1 1 1 -12 23 32 o 122.0796 1.936451  150.9491       4.727043  153.1257       6.769543  148.8779       6.603642  1.699951       3.872903  
1 1 1 -12 23 33 o 34.49994 0.7311518 11.90666       0.5025622 12.14023       0.7472360 11.71374       0.6791002 0.6115761      1.462304  
1 1 1 -12 23 34 o 83.74953 0.9968984 70.34751       1.668654  71.93597       2.414085  68.89424       2.309081  1.801796       1.993797  
1 1 1 -12 23 35 o 40.77811 0.7386889 16.66733       0.6017204 16.59575       0.8716469 16.73249       0.8316814 -0.1717491     1.477378  
1 1 1 -12 23 36 o 61.29002 0.8259801 37.53621       1.009679  39.39825       1.496622  35.98079       1.367855  2.772488       1.651960  
1 1 1 -12 23 37 o 50.29328 0.7693818 25.07477       0.7674505 27.48999       1.181106  23.30993       1.009632  4.136177       1.538764  
1 1 1 -12 23 38 o 27.72121 0.8006816 7.514791       0.4372239 8.842649       0.6960735 6.649487       0.5619054 3.938528       1.601363  
1 1 1 -12 23 39 o 11.89541 1.568068  1.580486       0.3475123 0.9813235      0.5396473 2.004984       0.4542302 -4.439036      3.136136  
1 1 1 -12 23 40 o 39.56364 0.7649149 15.72309       0.6036470 14.37596       0.8523213 17.07887       0.8550568 -3.415539      1.529830  
1 1 1 -12 23 41 o 30.52878 0.8178113 9.071104       0.4895788 10.79497       0.7937202 8.012474       0.6219971 4.531860       1.635623  
1 1 1 -12 23 42 o 34.95847 0.7950011 12.19239       0.5498912 12.73087       0.8494254 11.80392       0.7214741 1.306267       1.590002  
1 1 1 -12 23 43 o 37.11773 0.7969828 13.66533       0.5868520 15.07531       0.9024876 12.63234       0.7724671 3.270115       1.593966  
1 1 1 -12 23 44 o 6.055573 1.803233  -0.3389927E-01 0.3645696 0.3075267      0.6087499 -0.2248369     0.4552358 2.322872       3.606466  
1 1 1 -12 23 45 o 29.45371 0.8767534 8.613769       0.5098086 9.338644       0.7993345 8.116715       0.6619093 2.047743       1.753507  
1 1 1 -12 23 46 o 32.68348 0.9430654 10.76545       0.6144311 11.05504       0.8425286 10.43648       0.8979948 0.9582367      1.886131  
1 1 1 -12 23 47 o 8.775821 2.335108  0.5413632      0.5403352 0.9015638      0.9127727 0.3470423      0.6704252 2.401151       4.670216  
1 1 1 -12 23 48 o 10.64531 2.276155  0.9767070      0.5458815 1.942045       0.9084874 0.4312422      0.6829085 5.538876       4.552311  
1 1 1 -12 23 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 24 1  o 28.78269 0.6345554 8.074426       0.3595992 10.39532       0.5577934 6.423809       0.4704017 6.895460       1.269111  
1 1 1 -12 24 2  o 99.30713 1.113629  98.84572       2.211819  98.88750       3.124505  98.80373       3.131474  0.4268646E-01  2.227257  
1 1 1 -12 24 3  o 13.71238 0.8756596 1.898406       0.2355726 2.365704       0.3376226 1.455075       0.3288504 3.319975       1.751319  
1 1 1 -12 24 4  o 108.7404 1.205958  118.3905       2.619756  115.2576       3.603230  121.9036       3.815681  -3.039398      2.411916  
1 1 1 -12 24 5  o 38.13934 0.6460290 14.55707       0.4927814 14.54189       0.6960604 14.57231       0.6977388 -0.3980255E-01 1.292058  
1 1 1 -12 24 6  f 66.37674 0.8257490 43.81573       1.091339  47.21557       1.640497  41.11660       1.461702  4.584724       1.651498  
1 1 1 -12 24 7  o 11.85272 1.033649  1.411295       0.2442351 1.532813       0.3439670 1.287730       0.3468523 1.034062       2.067297  
1 1 1 -12 24 8  o 48.26375 0.6972208 23.11851       0.6699127 25.44483       1.007981  21.27799       0.8965741 4.311661       1.394442  
1 1 1 -12 24 9  o 41.86156 0.6684908 17.52810       0.5595082 17.09427       0.7797024 17.98866       0.8033559 -1.067211      1.336982  
1 1 1 -12 24 10 o 44.02233 0.6796091 19.34015       0.5974361 20.46779       0.8748167 18.35457       0.8178606 2.397549       1.359218  
1 1 1 -12 24 11 o 58.49425 0.7656915 34.25214       0.8957100 34.47727       1.275660  34.03322       1.257975  0.3786278      1.531383  
1 1 1 -12 24 12 o 46.43930 0.6886982 21.55596       0.6389974 22.23009       0.9295663 20.95202       0.8798403 1.373665       1.377396  
1 1 1 -12 24 13 o 79.79082 0.9403683 63.75034       1.500241  62.65867       2.091844  64.90655       2.152791  -1.404579      1.880737  
1 1 1 -12 24 14 o 83.10799 0.9719395 69.10400       1.613973  71.28887       2.345768  67.13990       2.224096  2.487839       1.943879  
1 1 1 -12 24 15 o 112.0647 1.240530  125.7627       2.776746  129.8002       4.053742  122.1937       3.811286  3.372734       2.481060  
1 1 1 -12 24 16 f 99.65353 1.123192  99.55174       2.238478  98.74325       3.145635  100.3812       3.186126  -0.8185806     2.246383  
1 1 1 -12 24 17 o 85.40892 1.193391  73.95632       1.966814  70.04221       3.191957  76.35199       2.497203  -3.754440      2.386783  
1 1 1 -12 24 18 o 94.68423 1.497566  90.07904       2.835275  90.78448       4.059473  89.40717       3.961683  0.7158890      2.995131  
1 1 1 -12 24 19 o 67.16925 1.146497  45.03828       1.535934  42.42676       2.079741  48.17161       2.278058  -4.257904      2.292994  
1 1 1 -12 24 20 o 35.76935 0.7862502 12.95961       0.5533393 13.78188       0.7343577 11.87951       0.8416488 2.666214       1.572500  
1 1 1 -12 24 21 o 113.5166 1.565549  129.3003       3.318758  128.7076       4.024345  130.5602       5.867537  -0.5707779     3.131097  
1 1 1 -12 24 22 o 18.63088 1.344460  4.091049       0.4158623 4.960973       0.5054877 2.269149       0.7315302 7.248058       2.688920  
1 1 1 -12 24 23 o 44.21376 1.066684  19.57679       0.9422494 18.93834       1.296689  20.29108       1.371543  -1.522121      2.133367  
1 1 1 -12 24 24 o 50.85239 1.104875  25.75760       1.119489  28.45262       1.671080  23.56331       1.507863  4.789032       2.209750  
1 1 1 -12 24 25 o 87.77933 1.484169  77.47205       2.603996  79.88177       3.763958  75.25996       3.606311  2.608185       2.968337  
1 1 1 -12 24 26 o 41.73534 1.090254  17.37217       0.9072017 15.98512       1.227295  19.04299       1.346997  -3.649548      2.180508  
1 1 1 -12 24 27 o 48.10376 1.096451  23.15293       1.052508  22.18007       1.431426  24.29797       1.552929  -2.186630      2.192902  
1 1 1 -12 24 28 o 49.05318 1.108705  24.03372       1.084714  25.94593       1.607905  22.43662       1.469460  3.559212       2.217410  
1 1 1 -12 24 29 o 21.61808 1.357139  4.757388       0.5684223 3.347079       0.7881426 6.286169       0.8205789 -6.792562      2.714279  
1 1 1 -12 24 30 f 32.15567 0.9445237 10.13369       0.5443278 10.91385       1.050201  9.847117       0.6364964 1.609579       1.889047  
1 1 1 -12 24 31 o 49.78414 0.9852660 25.16935       0.9619661 23.21016       1.481583  26.59724       1.264834  -3.430027      1.970532  
1 1 1 -12 24 32 f 41.83053 0.9237766 17.85878       0.7152650 16.73958       1.261096  18.38957       0.8684659 -2.020348      1.847553  
1 1 1 -12 24 33 o 36.21394 0.8487778 13.58624       0.5945811 10.70429       0.8965203 15.84922       0.7944343 -7.115376      1.697556  
1 1 1 -12 24 34 f 10.85269 1.605745  1.550708       0.3431709 0.2852720      0.6234065 2.100883       0.4110567 -7.223231      3.211489  
1 1 1 -12 24 35 o 35.38519 0.7541763 12.48230       0.5306023 13.16063       0.8028470 11.95622       0.7070237 1.691082       1.508353  
1 1 1 -12 24 36 o 11.99586 1.504093  1.599422       0.3326077 1.017617       0.5151924 2.015221       0.4355347 -4.323449      3.008186  
1 1 1 -12 24 37 o 54.22530 0.8022649 29.49247       0.8688477 29.58228       1.263397  29.41188       1.196780  0.1478195      1.604530  
1 1 1 -12 24 38 o 19.67087 1.020640  4.016425       0.3882678 3.198452       0.5885093 4.646877       0.5166661 -3.694231      2.041280  
1 1 1 -12 24 39 o 11.68728 1.557815  1.327090       0.3496785 1.878181       0.5733688 1.000736       0.4412325 3.882337       3.115630  
1 1 1 -12 24 40 o 20.09019 1.078157  4.278866       0.4097272 2.907312       0.6102720 5.404484       0.5528567 -6.226099      2.156315  
1 1 1 -12 24 41 o 35.41950 0.7981440 12.48262       0.5592917 13.29936       0.8673272 11.90126       0.7317572 1.952065       1.596288  
1 1 1 -12 24 42 o 36.24615 0.8210222 13.22636       0.5891296 12.93212       0.8940185 13.45220       0.7832388 -0.7366524     1.642044  
1 1 1 -12 24 43 o 32.83479 0.9513244 11.13966       0.5947721 9.789969       0.9723427 11.94660       0.7518315 -3.329538      1.902649  
1 1 1 -12 24 44 f 63.00806 1.125821  40.09177       1.296473  39.84190       2.372617  40.19814       1.548020  -0.4868126     2.251642  
1 1 1 -12 24 45 o 40.60825 1.525768  0.000000       0.000000  ?              ?         16.62029       1.239176  ?              ?         
1 1 1 -12 24 46 o 17.13198 2.277938  0.000000       0.000000  ?              ?         2.989121       0.7805117 ?              ?         
1 1 1 -12 24 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 25 1  o 36.44343 0.6393669 13.28806       0.4659283 13.59841       0.6662380 12.99097       0.6518420 0.8326988      1.278734  
1 1 1 -12 25 2  o 43.51555 0.6748760 18.67500       0.5825416 16.80735       0.7663992 21.23050       0.8964884 -5.075665      1.349752  
1 1 1 -12 25 3  o 87.43997 1.007187  76.59464       1.760853  75.60567       2.454975  77.64252       2.527032  -1.159317      2.014374  
1 1 1 -12 25 4  o 71.36880 0.8681359 50.98763       1.238742  52.06578       1.780245  49.97562       1.724765  1.460777       1.736272  
1 1 1 -12 25 5  o 33.33945 0.6434647 11.07305       0.4280544 10.28628       0.5825821 11.99616       0.6310379 -2.562046      1.286929  
1 1 1 -12 25 6  o 51.89995 0.7238533 26.95422       0.7511731 27.46945       1.077086  26.46632       1.048144  0.9648628      1.447707  
1 1 1 -12 25 7  o 42.45476 0.6786157 17.88883       0.5736951 16.34224       0.7694472 19.82486       0.8608862 -4.096947      1.357231  
1 1 1 -12 25 8  o 48.67031 0.7048215 23.70044       0.6858468 23.24655       0.9549032 24.18408       0.9856974 -0.9615173     1.409643  
1 1 1 -12 25 9  o 15.44233 0.8959664 2.387032       0.2734335 1.920580       0.3764653 2.907858       0.3978031 -3.195222      1.791933  
1 1 1 -12 25 10 o 25.02267 0.7033251 6.247601       0.3510449 6.928676       0.5113862 5.640654       0.4827551 2.572149       1.406650  
1 1 1 -12 25 11 o 102.4816 1.153650  105.2775       2.363377  103.5339       3.280937  107.1580       3.407280  -1.756660      2.307300  
1 1 1 -12 25 12 o 57.74024 0.7707662 33.36962       0.8898615 34.05987       1.276020  32.71611       1.241595  1.161476       1.541532  
1 1 1 -12 25 13 o 16.30195 0.9648533 2.876791       0.2893016 1.724071       0.4332114 3.804665       0.3886715 -6.384690      1.929707  
1 1 1 -12 25 14 o 51.51191 0.9615346 26.40553       0.9850467 28.29972       1.491183  24.93905       1.312075  3.247635       1.923069  
1 1 1 -12 25 15 o 95.00720 1.503001  90.74513       2.855780  89.71181       4.016014  91.80211       4.061738  -1.094231      3.006002  
1 1 1 -12 25 16 o 40.67871 0.8837357 16.52724       0.7172327 14.99324       0.9868022 18.24515       1.044277  -3.992645      1.767471  
1 1 1 -12 25 17 o 59.07351 0.7938343 34.94487       0.9377845 35.61177       1.337381  34.29976       1.315349  1.108906       1.587669  
1 1 1 -12 25 18 o 73.63510 0.8944151 54.33405       1.317138  54.52319       1.873675  54.14929       1.851944  0.2520676      1.788830  
1 1 1 -12 25 19 o 57.48006 0.7741147 33.09408       0.8899139 33.18140       1.261994  33.00771       1.255091  0.1505585      1.548229  
1 1 1 -12 25 20 o 79.23782 0.9440340 62.92447       1.495595  63.84565       2.147567  62.05699       2.084045  1.122536       1.888068  
1 1 1 -12 25 21 o 17.87460 0.9368525 3.349055       0.3176835 2.212203       0.4611277 4.376073       0.4382867 -6.055038      1.873705  
1 1 1 -12 25 22 o 48.69177 0.7289849 23.68414       0.7087510 24.82043       1.039322  22.69637       0.9690174 2.175705       1.457970  
1 1 1 -12 25 23 o 83.55370 0.9861798 69.93218       1.646564  67.98598       2.271916  72.08547       2.389735  -2.440598      1.972360  
1 1 1 -12 25 24 f 41.13966 0.7066121 16.94983       0.5809923 16.10639       0.8156241 17.81866       0.8278059 -2.080078      1.413224  
1 1 1 -12 25 25 f 28.22424 0.7215763 7.881756       0.4047207 8.927830       0.6155422 7.085147       0.5371550 3.257704       1.443153  
1 1 1 -12 25 26 f 24.64019 0.7684468 6.107831       0.3761799 5.850607       0.5584400 6.321517       0.5089896 -0.9602165     1.536894  
1 1 1 -12 25 27 o 36.23823 0.7150784 13.09070       0.5163320 11.61230       0.7054244 14.79674       0.7577922 -4.388962      1.430157  
1 1 1 -12 25 28 o 18.31165 0.9362545 3.407988       0.3377718 3.045932       0.5064182 3.698127       0.4533401 -1.787369      1.872509  
1 1 1 -12 25 29 f 43.52599 0.7320802 18.98099       0.6367991 19.06218       0.9196957 18.90622       0.8825898 0.1754684      1.464160  
1 1 1 -12 25 30 o 83.56227 0.9955618 69.87896       1.660459  66.81123       2.262004  73.46361       2.445164  -3.955215      1.991124  
1 1 1 -12 25 31 o 43.10736 0.7389010 18.62929       0.6367027 17.90209       0.8993284 19.36007       0.9015428 -1.690865      1.477802  
1 1 1 -12 25 32 o 22.67583 0.8344719 5.206084       0.3742002 4.747036       0.5571762 5.583263       0.5050530 -1.850203      1.668944  
1 1 1 -12 25 33 o 37.81629 0.7392842 14.31626       0.5580903 14.62147       0.8181958 14.05070       0.7631897 0.7484245      1.478568  
1 1 1 -12 25 34 o 54.78136 0.7968792 30.04074       0.8715296 31.04510       1.278698  29.16940       1.191025  1.700329       1.593758  
1 1 1 -12 25 35 o 29.45079 0.7755902 8.727794       0.4544708 8.382290       0.6700015 9.022242       0.6185188 -1.093464      1.551180  
1 1 1 -12 25 36 o 33.64094 0.7643995 11.18835       0.5089540 12.45289       0.7919811 10.29873       0.6642805 3.184452       1.528799  
1 1 1 -12 25 37 o 7.502345 1.798876  0.5358354      0.3261073 0.3446237      0.5208223 0.6591426      0.4182411 -1.037436      3.597752  
1 1 1 -12 25 38 o 15.54419 1.190965  2.413261       0.3646260 2.555295       0.5742239 2.317298       0.4719950 0.7422581      2.381930  
1 1 1 -12 25 39 o 54.27910 0.8209378 29.50281       0.8897600 27.29351       1.227821  31.94604       1.291190  -4.275372      1.641876  
1 1 1 -12 25 40 o 18.00167 1.104945  3.251469       0.3914735 3.335069       0.6140642 3.194228       0.5081168 0.3665409      2.209889  
1 1 1 -12 25 41 f 47.91012 0.8071221 23.05431       0.7715514 21.01925       1.080737  25.16963       1.101846  -4.327625      1.614244  
1 1 1 -12 25 42 o 19.15313 1.516215  3.694317       0.5622286 3.830693       0.9257147 3.614611       0.7077063 0.4906635      3.032429  
1 1 1 -12 25 43 o 38.10251 1.018298  14.60621       0.7755355 15.32697       1.113279  13.92667       1.080980  1.829784       2.036596  
1 1 1 -12 25 44 o 25.15278 1.287925  6.439978       0.6339418 6.206341       0.9956430 6.599276       0.8221284 -0.8370800     2.575851  
1 1 1 -12 25 45 f 29.59702 1.239501  8.882272       0.7265055 8.628253       1.098502  9.079761       0.9685854 -0.8019199     2.479002  
1 1 1 -12 26 1  o 38.41707 0.6550665 14.59818       0.5001070 13.19187       0.6634665 16.44858       0.7610493 -4.232677      1.310133  
1 1 1 -12 26 2  o 50.63955 0.7156557 25.62037       0.7236570 24.71534       0.9900578 26.65851       1.060367  -1.914005      1.431311  
1 1 1 -12 26 3  f 45.35022 0.6890404 20.41020       0.6219750 18.73978       0.8316308 22.53061       0.9369723 -4.172897      1.378081  
1 1 1 -12 26 4  o 87.74868 1.014830  77.19272       1.780824  76.62048       2.497617  77.78448       2.539845  -0.6593933     2.029660  
1 1 1 -12 26 5  o 42.81484 0.6770740 18.35287       0.5797672 18.44185       0.8191086 18.26354       0.8207232 0.2083244      1.354148  
1 1 1 -12 26 6  o 40.80796 0.6712777 16.67218       0.5478576 16.53078       0.7741851 16.81402       0.7753915 -0.3469620     1.342555  
1 1 1 -12 26 7  f 41.34131 0.6758342 17.11121       0.5587891 17.12863       0.7883148 17.09361       0.7921938 0.4258347E-01  1.351668  
1 1 1 -12 26 8  o 47.98273 0.7120797 22.93990       0.6816409 24.84267       1.007141  21.33157       0.9259415 3.653408       1.424159  
1 1 1 -12 26 9  o 62.51712 0.8654456 39.22626       1.075659  38.53373       1.603778  39.79251       1.450210  -1.019039      1.730891  
1 1 1 -12 26 10 o 75.62245 1.242156  57.41877       1.878544  57.70020       2.676392  57.14548       2.637364  0.3622055      2.484312  
1 1 1 -12 26 11 o 40.15369 0.8759194 16.15033       0.7031854 16.38953       1.010439  15.92569       0.9792047 0.5749550      1.751839  
1 1 1 -12 26 12 f 73.68520 1.215609  54.31084       1.787277  51.59259       2.428306  57.52403       2.640144  -3.999580      2.431217  
1 1 1 -12 26 13 o 80.76671 1.135722  66.06102       1.775220  67.93037       2.260924  63.05594       2.866613  3.085899       2.271445  
1 1 1 -12 26 14 o 15.55804 0.9781820 2.558768       0.2838660 1.538733       0.4079795 3.515992       0.3952190 -6.355657      1.956364  
1 1 1 -12 26 15 o 66.89775 0.8405256 44.48189       1.118376  48.24643       1.693501  41.57031       1.489340  4.971947       1.681051  
1 1 1 -12 26 16 o 47.20037 0.7111160 22.18657       0.6689035 23.77973       0.9988953 20.89136       0.9006582 3.052376       1.422232  
1 1 1 -12 26 17 o 69.58770 0.8657614 48.52267       1.204703  49.04017       1.723678  48.02847       1.684414  0.7233276      1.731523  
1 1 1 -12 26 18 o 44.41134 0.7070785 19.74457       0.6278955 19.21015       0.8776730 20.30486       0.8986555 -1.230873      1.414157  
1 1 1 -12 26 19 f 52.29086 0.7455668 27.10353       0.7748095 29.97046       1.179560  24.92776       1.027586  4.809208       1.491134  
1 1 1 -12 26 20 o 23.90027 0.7390313 5.627813       0.3500727 6.464378       0.5410884 5.025544       0.4591070 3.003139       1.478063  
1 1 1 -12 26 21 o 47.27658 0.7259847 22.29316       0.6846445 23.72241       1.014144  21.09630       0.9280419 2.770012       1.451969  
1 1 1 -12 26 22 o 76.82742 0.9306536 59.00191       1.426881  56.32018       1.941221  62.15368       2.104480  -3.777962      1.861307  
1 1 1 -12 26 23 f 36.53397 0.7034772 13.37545       0.5134866 12.61539       0.7231529 14.14836       0.7292449 -2.097462      1.406954  
1 1 1 -12 26 24 o 66.47473 0.8501034 44.20264       1.128234  46.01012       1.655919  42.63660       1.541361  2.524681       1.700207  
1 1 1 -12 26 25 f 9.388768 1.466484  0.9818494      0.2824924 0.4310204      0.4309488 1.396873       0.3740709 -4.803938      2.932969  
1 1 1 -12 26 26 o 52.57641 0.7627686 27.44070       0.7975366 30.21165       1.209109  25.30661       1.061103  4.649284       1.525537  
1 1 1 -12 26 27 o 8.831547 1.619438  0.8157088      0.2840537 0.8114789      0.4542185 0.8184255      0.3640174 -0.3021240E-02 3.238876  
1 1 1 -12 26 28 o 20.48391 1.396552  4.163246       0.5664796 5.084932       0.8584258 3.452256       0.7539501 3.964222       2.793104  
1 1 1 -12 26 29 o 46.69724 0.7480137 21.84760       0.6982448 20.88046       0.9774244 22.85552       0.9978260 -2.112514      1.496027  
1 1 1 -12 26 30 o 32.62971 0.7388986 10.71028       0.4804223 9.859931       0.6888428 11.51564       0.6703731 -2.539179      1.477797  
1 1 1 -12 26 31 o 47.62798 0.7565460 22.71939       0.7197475 23.20928       1.048851  22.28338       0.9894941 0.9647064      1.513092  
1 1 1 -12 26 32 f 33.49771 0.7463530 11.18069       0.4974454 11.92517       0.7506417 10.59773       0.6642430 1.970200       1.492706  
1 1 1 -12 26 33 o 21.25550 0.9113825 4.314956       0.3771282 6.007181       0.6107217 3.271955       0.4794647 6.413187       1.822765  
1 1 1 -12 26 34 o 24.86115 0.8277789 6.197940       0.4102098 6.250771       0.6066164 6.153427       0.5568252 0.1884747      1.655558  
1 1 1 -12 26 35 o 8.793806 1.791743  0.7799762      0.3255813 0.9297665      0.5272396 0.6876492      0.4139334 1.271586       3.583486  
1 1 1 -12 26 36 f 60.63200 0.8447156 36.86489       1.022802  37.64138       1.494054  36.18002       1.403145  1.190128       1.689431  
1 1 1 -12 26 37 o 16.94896 1.132413  2.869134       0.3785828 3.036612       0.5931146 2.753985       0.4917995 0.8108349      2.264825  
1 1 1 -12 26 38 o 46.77357 0.7931548 21.98892       0.7410327 21.07561       1.059012  22.86514       1.037283  -1.916679      1.586310  
1 1 1 -12 26 39 o 20.75900 1.315876  4.189663       0.5351326 5.262730       0.8696707 3.535798       0.6788685 4.103577       2.631752  
1 1 1 -12 26 40 o 10.34239 1.837013  1.121070       0.4618875 0.3542535E-01  0.7071152 1.929002       0.6100057 -6.880082      3.674025  
1 1 1 -12 26 41 o 31.51761 0.8385365 10.10183       0.5219990 8.859356       0.7683971 11.16662       0.7113367 -3.671442      1.677073  
1 1 1 -12 26 42 o 52.75053 1.153368  28.14041       1.214435  26.99499       1.749019  29.20677       1.687570  -2.114311      2.306735  
1 1 1 -12 26 43 o 18.61625 1.568007  3.580318       0.5719275 3.183809       0.8710375 3.880822       0.7582887 -1.914602      3.136015  
1 1 1 -12 26 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 27 1  o 58.56913 0.7788929 34.33408       0.9116671 33.58601       1.259709  35.15678       1.321062  -1.335800      1.557786  
1 1 1 -12 27 2  o 65.45140 0.8291293 42.70924       1.082042  45.72742       1.609006  40.21734       1.462010  4.196228       1.658259  
1 1 1 -12 27 3  o 66.47717 0.8378465 44.25557       1.113410  43.36811       1.545555  45.21300       1.605346  -1.382271      1.675693  
1 1 1 -12 27 4  o 30.79533 0.6740001 9.415724       0.4130221 10.83639       0.6144744 8.244916       0.5578287 4.203514       1.348000  
1 1 1 -12 27 5  o 67.18440 0.9964874 45.34748       1.287853  44.99534       2.132267  45.54972       1.615882  -0.4667358     1.992975  
1 1 1 -12 27 6  o 68.98764 1.151549  47.67468       1.586462  45.90084       2.172096  49.70295       2.322656  -2.737190      2.303097  
1 1 1 -12 27 7  o 70.10516 1.168711  49.14529       1.633680  51.88979       2.427743  46.87404       2.208528  3.549965       2.337422  
1 1 1 -12 27 8  o 51.37293 0.9594329 26.46123       0.9856987 26.11903       1.383528  26.81397       1.404690  -0.6741982     1.918866  
1 1 1 -12 27 9  o 42.01744 0.7881683 17.95280       0.6513696 19.65039       0.8736675 15.82822       0.9773852 4.557022       1.576337  
1 1 1 -12 27 10 o 64.15844 0.8247142 41.21938       1.057723  40.34756       1.467969  42.16072       1.525375  -1.407887      1.649428  
1 1 1 -12 27 11 o 26.59713 0.7126132 7.047149       0.3771653 8.123911       0.5540925 6.117501       0.5148513 3.768789       1.425226  
1 1 1 -12 27 12 o 37.15851 0.6767493 13.81252       0.5021805 14.08761       0.7335327 13.56985       0.6889435 0.6933174      1.353499  
1 1 1 -12 27 13 f 37.20686 0.6753545 13.62214       0.4978972 15.77155       0.7701963 12.07901       0.6525928 4.953167       1.350709  
1 1 1 -12 27 14 o 81.59167 0.9676786 66.74081       1.578524  68.02573       2.269715  65.53712       2.196809  1.516899       1.935357  
1 1 1 -12 27 15 o 13.02051 1.047436  1.650921       0.2674398 2.197865       0.4169097 1.268481       0.3486200 3.560573       2.094872  
1 1 1 -12 27 16 o 47.79847 0.7233750 22.73416       0.6891587 20.92997       0.9298894 24.93268       1.026491  -4.178673      1.446750  
1 1 1 -12 27 17 o 35.47095 0.6883420 12.60667       0.4880726 12.13621       0.6900015 13.07778       0.6904767 -1.327198      1.376684  
1 1 1 -12 27 18 o 29.69601 0.7152810 8.689353       0.4181835 6.766037       0.5567936 11.17818       0.6333830 -7.422009      1.430562  
1 1 1 -12 27 19 o 48.41984 0.7298080 23.49115       0.7066920 23.43975       1.004904  23.54144       0.9940117 -0.1060371     1.459616  
1 1 1 -12 27 20 o 28.68109 0.7093287 8.264624       0.4031060 6.875632       0.5625244 9.730809       0.5779444 -4.976017      1.418657  
1 1 1 -12 27 21 o 21.09610 0.8022282 4.392032       0.3356508 5.032805       0.5167735 3.924456       0.4414419 2.618734       1.604456  
1 1 1 -12 27 22 f 29.17977 0.7226905 8.504785       0.4181259 7.056358       0.5736393 10.14663       0.6107416 -5.291611      1.445381  
1 1 1 -12 27 23 o 29.99777 0.7148710 8.907563       0.4262650 10.13777       0.6464660 7.961265       0.5669833 3.619915       1.429742  
1 1 1 -12 27 24 o 24.90746 0.7638797 6.201523       0.3792632 6.417150       0.5634893 6.022942       0.5128046 0.7858047      1.527759  
1 1 1 -12 27 25 o 27.76075 0.7585170 7.597227       0.4176320 8.876027       0.6409476 6.653715       0.5505477 3.992601       1.517034  
1 1 1 -12 27 26 o 65.96727 0.8577616 43.53653       1.130046  41.55043       1.548120  45.80170       1.653314  -3.208969      1.715523  
1 1 1 -12 27 27 f 37.22038 0.7416726 13.89862       0.5515286 13.56129       0.7922544 14.21582       0.7682574 -0.8820000     1.483345  
1 1 1 -12 27 28 o 69.30575 0.8849402 48.15952       1.225554  49.29355       1.778135  47.13331       1.691498  1.545914       1.769880  
1 1 1 -12 27 29 f 19.95205 0.9371008 4.108163       0.3636221 3.219204       0.5371915 4.859916       0.4939983 -4.118475      1.874202  
1 1 1 -12 27 30 o 25.09854 0.8105785 6.246931       0.4030765 6.839343       0.6233724 5.821279       0.5284004 2.014563       1.621157  
1 1 1 -12 27 31 o 43.69217 0.7549669 19.15454       0.6593283 18.47450       0.9353114 19.82626       0.9295769 -1.547676      1.509934  
1 1 1 -12 27 32 o 16.52644 1.040071  2.650715       0.3376355 3.425227       0.5363423 2.142308       0.4345439 3.862284       2.080142  
1 1 1 -12 27 33 o 34.68304 0.7587646 12.07956       0.5250328 11.86407       0.7660388 12.27048       0.7210213 -0.5923958     1.517529  
1 1 1 -12 27 34 o 37.08282 0.7671655 13.70544       0.5664706 14.75411       0.8512096 12.87183       0.7589290 2.523869       1.534331  
1 1 1 -12 27 35 o 75.56205 0.9512238 57.38430       1.437391  56.32843       2.019317  58.46881       2.046512  -1.411041      1.902448  
1 1 1 -12 27 36 f 23.56326 1.228805  5.763967       0.5624663 4.520676       0.8338094 6.802156       0.7619358 -4.860291      2.457610  
1 1 1 -12 27 37 o 12.88960 1.952429  1.714503       0.4798919 2.037361       0.7696185 1.509117       0.6138395 1.923789       3.904858  
1 1 1 -12 27 38 o 8.898490 1.885028  0.8190631      0.3571315 0.8020023      0.5658835 0.8303562      0.4604001 0.5878448E-02  3.770056  
1 1 1 -12 27 39 o 24.36998 0.9267166 5.895660       0.4461446 6.455873       0.6986551 5.509920       0.5797411 1.914501       1.853433  
1 1 1 -12 27 40 o 51.85184 1.069175  27.38304       1.095135  24.89931       1.635466  29.40196       1.474517  -4.384937      2.138350  
1 1 1 -12 27 41 o 11.69329 2.062400  1.337487       0.5019646 2.287631       0.7934466 0.7034479      0.6481584 6.015814       4.124799  
1 1 1 -12 27 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 28 1  o 61.00880 0.9305466 37.75040       1.113381  35.01690       1.718223  39.72889       1.461793  -3.891750      1.861093  
1 1 1 -12 28 2  o 65.05767 1.556301  42.50787       2.024987  42.50787       2.024987  ?              ?         ?              ?         
1 1 1 -12 28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 28 5  o 40.60208 0.9426711 15.49086       0.6622602 18.65480       1.383018  14.54952       0.7543721 4.982418       1.885342  
1 1 1 -12 28 6  o 55.40843 0.7661211 30.68834       0.8477751 32.19614       1.240217  29.36582       1.161518  2.546509       1.532242  
1 1 1 -12 28 7  o 43.96698 0.6994652 19.32537       0.6143691 18.55038       0.8446172 20.19613       0.8952938 -1.867130      1.398930  
1 1 1 -12 28 8  o 25.82391 0.7197516 6.590956       0.3670724 5.269738       0.4913741 8.259307       0.5521649 -5.782902      1.439503  
1 1 1 -12 28 9  f 47.72725 0.7186505 22.81672       0.6858318 22.62288       0.9582466 23.02030       0.9820155 -0.4141769     1.437301  
1 1 1 -12 28 10 o 37.47401 0.6953616 13.82457       0.5166248 12.06671       0.6801488 16.22197       0.7942960 -5.534019      1.390723  
1 1 1 -12 28 11 o 35.66757 0.6905620 12.73198       0.4923786 12.32456       0.6839078 13.17040       0.7094514 -1.183453      1.381124  
1 1 1 -12 28 12 o 17.87596 0.9040301 3.237311       0.3143663 4.214823       0.4534813 2.332942       0.4361852 5.261724       1.808060  
1 1 1 -12 28 13 o 49.58551 0.7353548 24.54779       0.7277604 23.26465       0.9911382 26.04892       1.072033  -2.799652      1.470710  
1 1 1 -12 28 14 o 52.13245 0.7450448 26.78797       0.7691457 30.46811       1.194820  24.18380       1.005091  6.008274       1.490090  
1 1 1 -12 28 15 o 44.64702 0.7143235 19.85589       0.6359840 18.23792       0.8623093 21.78578       0.9417686 -3.965557      1.428647  
1 1 1 -12 28 16 o 63.69725 0.8278306 40.63803       1.053923  39.55049       1.458611  41.82606       1.524519  -1.778820      1.655661  
1 1 1 -12 28 17 o 59.91982 0.7999044 35.95638       0.9580152 37.01566       1.384835  34.98417       1.326709  1.688812       1.599809  
1 1 1 -12 28 18 o 59.99324 0.8042369 36.00139       0.9634405 37.48758       1.411784  34.70597       1.318061  2.307796       1.608474  
1 1 1 -12 28 19 o 49.29124 0.7385380 24.22187       0.7254686 25.82475       1.083184  22.91797       0.9769551 2.937405       1.477076  
1 1 1 -12 28 20 o 78.87492 0.9534419 62.43033       1.503763  63.15491       2.152178  61.73916       2.101994  0.8905106      1.906884  
1 1 1 -12 28 21 o 70.69952 0.8857947 50.08019       1.251241  51.56033       1.819600  48.75246       1.723364  1.973305       1.771589  
1 1 1 -12 28 22 o 82.25493 0.9848117 67.91702       1.619888  66.98894       2.267905  68.88364       2.314544  -1.144943      1.969623  
1 1 1 -12 28 23 o 79.99075 0.9658927 64.16421       1.543680  65.93038       2.244670  62.57937       2.126321  2.077118       1.931785  
1 1 1 -12 28 24 o 14.69242 1.126312  2.254856       0.3182312 1.735881       0.4825824 2.654181       0.4233133 -3.135531      2.252625  
1 1 1 -12 28 25 o 83.47483 1.462735  70.38274       2.441741  71.56484       3.485284  69.24327       3.421874  1.374771       2.925470  
1 1 1 -12 28 26 f 42.36215 0.7474330 17.81612       0.6298463 15.63663       0.8464980 20.51930       0.9427262 -5.750412      1.494866  
1 1 1 -12 28 27 o 26.48064 0.7950825 7.075881       0.4185780 6.450799       0.6069247 7.642898       0.5780479 -2.254913      1.590165  
1 1 1 -12 28 28 o 22.83295 0.8656384 5.265262       0.3911310 4.985340       0.5886604 5.486529       0.5233645 -1.107471      1.731277  
1 1 1 -12 28 29 o 45.11512 0.7565762 20.36548       0.6809667 21.06510       1.005384  19.77248       0.9256181 1.421612       1.513152  
1 1 1 -12 28 30 o 58.15738 0.8201129 33.69408       0.9491010 36.39752       1.432549  31.57906       1.267092  4.116753       1.640226  
1 1 1 -12 28 31 o 6.688373 1.749005  0.3560104      0.3040841 0.3647670      0.4902180 0.3505339      0.3876836 0.4810882      3.498010  
1 1 1 -12 28 32 o 31.98774 0.8290359 10.20768       0.5187277 10.57679       0.8312752 9.972301       0.6638331 0.9170132      1.658072  
1 1 1 -12 28 33 o 38.19088 1.017841  14.52235       0.7675493 15.62587       1.201239  13.76094       0.9978071 2.396618       2.035681  
1 1 1 -12 28 34 o 40.85325 0.9590907 16.78787       0.7829097 16.81873       1.084641  16.75429       1.131231  0.8880615E-01  1.918181  
1 1 1 -12 28 35 o 63.48865 0.8723313 40.29227       1.103445  42.81483       1.650017  38.25138       1.484143  3.561764       1.744663  
1 1 1 -12 28 36 o 43.26096 0.7888201 18.75896       0.6801053 16.66709       0.9414449 21.04219       0.9835654 -5.048969      1.577640  
1 1 1 -12 28 37 o 11.43961 1.695572  1.440093       0.3661727 1.090541       0.6102689 1.636735       0.4577239 -2.565015      3.391145  
1 1 1 -12 28 38 o 28.72491 1.048570  8.290622       0.6014388 7.714094       0.8266565 8.939022       0.8766712 -2.119074      2.097140  
1 1 1 -12 28 39 o 18.71167 2.185954  3.213244       0.6283414 4.486129       1.521834  2.951657       0.6898910 3.303944       4.371908  
1 1 1 -12 29 1  o 60.66036 0.8073567 36.87598       0.9792743 37.72374       1.402559  36.06961       1.367898  1.359512       1.614713  
1 1 1 -12 29 2  o 96.69199 1.107768  93.70807       2.138068  90.35365       2.915817  97.60925       3.144485  -3.716560      2.215536  
1 1 1 -12 29 3  o 30.42939 0.6899568 9.275588       0.4198422 9.345922       0.5995708 9.207921       0.5880888 0.2256565      1.379914  
1 1 1 -12 29 4  f 86.71131 1.017729  75.49392       1.764960  75.54670       2.492034  75.44079       2.500047  0.6221008E-01  2.035457  
1 1 1 -12 29 5  o 72.96184 0.9007879 53.25950       1.311952  51.19832       1.789419  55.65532       1.929219  -3.036903      1.801576  
1 1 1 -12 29 6  o 61.78487 0.8148419 38.13296       1.004664  40.36091       1.482492  36.24073       1.366236  3.321163       1.629684  
1 1 1 -12 29 7  o 60.84626 0.8072931 37.02131       0.9807308 35.55188       1.339924  38.71685       1.439331  -2.589642      1.614586  
1 1 1 -12 29 8  o 28.26177 0.7165726 8.002230       0.4048260 8.357782       0.5766788 7.656773       0.5684311 1.239386       1.433145  
1 1 1 -12 29 9  o 82.01780 1.240302  67.71081       1.884304  67.76275       2.272048  67.59635       3.372402  0.2892761      2.480604  
1 1 1 -12 29 10 o 45.55302 1.159137  20.86298       1.055794  21.45807       1.497596  20.27495       1.488680  1.297157       2.318275  
1 1 1 -12 29 11 o 55.68787 1.194376  31.13690       1.329093  32.79782       1.924703  29.62297       1.837567  2.835701       2.388752  
1 1 1 -12 29 12 f 14.27242 1.988163  2.105915       0.5561460 1.721844       0.7686445 2.527888       0.8056806 -3.044712      3.976326  
1 1 1 -12 29 13 o 37.86285 0.9265220 13.77089       0.6137376 15.66728       1.245232  13.16240       0.7053621 3.236263       1.853044  
1 1 1 -12 29 14 o 33.06641 0.8055412 11.03011       0.5118696 10.71763       0.8448579 11.21134       0.6434017 -0.7699509     1.611082  
1 1 1 -12 29 15 o 70.27594 0.8834906 49.48346       1.240731  48.05772       1.712538  51.05863       1.800049  -2.123764      1.766981  
1 1 1 -12 29 16 o 49.38547 0.7403875 24.41562       0.7308146 23.31190       1.014754  25.60497       1.053383  -2.317379      1.480775  
1 1 1 -12 29 17 o 28.37471 0.7262836 8.091664       0.4110136 7.593626       0.5906242 8.559326       0.5723295 -1.703684      1.452567  
1 1 1 -12 29 18 o 38.46863 0.7063681 14.83757       0.5430096 14.11784       0.7668973 15.56119       0.7689700 -1.875771      1.412736  
1 1 1 -12 29 19 o 61.55278 0.8193431 37.99545       1.008542  37.43702       1.413438  38.57466       1.439506  -0.9206657     1.638686  
1 1 1 -12 29 20 o 74.78389 0.9244471 55.66088       1.374600  51.83080       1.827507  60.65106       2.085995  -5.856911      1.848894  
1 1 1 -12 29 21 f 11.90196 1.302072  1.498853       0.2883217 1.256129       0.4580725 1.658106       0.3710406 -1.883848      2.604143  
1 1 1 -12 29 22 o 38.90479 0.7232056 15.09014       0.5605419 16.11747       0.8388894 14.26146       0.7534305 2.374432       1.446411  
1 1 1 -12 29 23 o 75.45169 0.9382602 56.86777       1.410968  53.59469       1.901186  60.88097       2.105192  -4.794678      1.876520  
1 1 1 -12 29 24 o 68.29494 0.8854564 46.81997       1.209224  47.08131       1.728691  46.56958       1.692097  0.3689117      1.770913  
1 1 1 -12 29 25 o 65.85025 0.8673117 43.40307       1.140447  41.29078       1.560290  45.82599       1.671077  -3.426262      1.734623  
1 1 1 -12 29 26 o 25.14988 0.8141893 6.350747       0.4077228 6.309900       0.6047089 6.384794       0.5520910 -0.1568794     1.628379  
1 1 1 -12 29 27 o 39.39493 0.7458062 15.56938       0.5866165 14.39443       0.8225406 16.78555       0.8368465 -3.032726      1.491612  
1 1 1 -12 29 28 o 6.054484 1.714808  0.1858112      0.3090741 0.1920168      0.4951870 0.1818509      0.3955898 0.5532174      3.429615  
1 1 1 -12 29 29 o 27.70752 0.9468628 7.671748       0.4887674 7.840230       0.8706565 7.594219       0.5906131 0.3908672      1.893726  
1 1 1 -12 29 30 f 36.26451 1.017097  13.31802       0.7330016 12.00599       1.059291  14.52346       1.015346  -3.480701      2.034195  
1 1 1 -12 29 31 o 22.13880 1.030675  4.936436       0.4561167 5.035483       0.6390941 4.833611       0.6511680 0.4586906      2.061351  
1 1 1 -12 29 32 o 9.206046 1.709829  0.9372135      0.3422055 0.3994080      0.5370823 1.304756       0.4439991 -3.938981      3.419659  
1 1 1 -12 29 33 f 37.31693 0.7842244 13.99794       0.5840570 13.69077       0.8486782 14.27433       0.8050134 -0.7897377     1.568449  
1 1 1 -12 29 34 o 43.90739 0.7942925 19.10510       0.6917331 21.36005       1.065322  17.46135       0.9095566 4.409878       1.588585  
1 1 1 -12 29 35 o 10.05345 2.009169  1.039610       0.4213293 1.307815       0.6461747 0.8412484      0.5557058 2.028851       4.018338  
1 1 1 -12 29 36 o 30.09821 0.9545076 9.120166       0.5735074 9.045353       0.8350882 9.186948       0.7889968 -0.2459583     1.909015  
1 1 1 -12 29 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 30 1  o 55.50977 0.7704322 30.89202       0.8551416 30.72126       1.195426  31.07099       1.223778  -0.3115311     1.540864  
1 1 1 -12 30 2  f 58.98042 0.7970412 34.86848       0.9399571 35.68379       1.347755  34.09635       1.311583  1.341183       1.594082  
1 1 1 -12 30 3  o 74.92368 0.9227942 56.32062       1.382399  57.47274       1.983831  55.23312       1.927404  1.486450       1.845588  
1 1 1 -12 30 4  o 38.58212 0.6987435 14.80959       0.5372068 13.41681       0.7256645 16.49844       0.7990814 -3.985600      1.397487  
1 1 1 -12 30 5  o 58.80648 0.7988805 34.66964       0.9394552 35.29921       1.342043  34.06469       1.315534  1.046349       1.597761  
1 1 1 -12 30 6  o 92.33545 1.073109  85.45895       1.977642  82.27726       2.694345  89.17525       2.911927  -3.698883      2.146219  
1 1 1 -12 30 7  o 30.72279 0.7083411 9.459310       0.4352180 9.313581       0.6131352 9.607299       0.6178746 -0.4774876     1.416682  
1 1 1 -12 30 8  o 51.17873 0.7511601 26.15856       0.7672026 24.76452       1.043829  27.79642       1.131434  -2.951694      1.502320  
1 1 1 -12 30 9  f 66.24136 0.8505068 44.00339       1.126508  44.89986       1.614717  43.15333       1.572372  1.312569       1.701014  
1 1 1 -12 30 10 o 59.47266 0.8048880 35.47305       0.9573541 35.78381       1.358941  35.16684       1.348921  0.5174103      1.609776  
1 1 1 -12 30 11 o 54.00359 0.7688659 29.22015       0.8300456 28.47129       1.152605  30.02692       1.196340  -1.434788      1.537732  
1 1 1 -12 30 12 o 68.88007 0.8768853 47.53910       1.206754  49.30177       1.756047  45.96185       1.661123  2.410522       1.753771  
1 1 1 -12 30 13 o 60.92534 0.8161165 37.16898       0.9933950 35.75344       1.367033  38.75288       1.446040  -2.450588      1.632233  
1 1 1 -12 30 14 o 57.21658 0.7881707 32.81719       0.9015052 33.45133       1.299153  32.22824       1.251996  1.062397       1.576341  
1 1 1 -12 30 15 o 26.29270 0.7574282 6.984951       0.3934610 5.724945       0.5553100 8.255249       0.5575728 -4.811502      1.514856  
1 1 1 -12 30 16 o 51.61694 0.7602140 26.67602       0.7837622 27.53254       1.144316  25.91916       1.075680  1.553654       1.520428  
1 1 1 -12 30 17 o 24.20754 0.7815811 5.930009       0.3747059 5.392170       0.5537426 6.384300       0.5089190 -2.055347      1.563162  
1 1 1 -12 30 18 o 22.61573 0.8047026 5.084110       0.3620299 5.593513       0.5477493 4.688964       0.4824249 1.990538       1.609405  
1 1 1 -12 30 19 o 43.40805 0.8071235 18.93099       0.6936986 19.09923       0.9205807 18.70995       1.055220  0.4676018      1.614247  
1 1 1 -12 30 20 o 10.35436 1.949053  1.146380       0.3888565 1.201324       0.4617814 1.012448       0.7209674 0.6846638      3.898107  
1 1 1 -12 30 21 o 50.59058 1.017963  25.25945       0.9298487 24.65574       1.093701  26.83375       1.766151  -2.028923      2.035926  
1 1 1 -12 30 22 o 31.46158 1.210634  9.958747       0.7604960 9.180156       1.053689  10.80533       1.098732  -2.572430      2.421269  
1 1 1 -12 30 23 o 10.15081 2.286475  0.9764797      0.5508163 1.526186       0.7997768 0.4804705      0.7597105 3.655107       4.572949  
1 1 1 -12 30 24 o 64.73429 1.299248  42.06799       1.676187  39.61055       2.257562  45.08702       2.502251  -4.166584      2.598496  
1 1 1 -12 30 25 o 30.56161 1.534964  9.287155       0.8803649 9.983850       1.563530  8.963741       1.065283  1.515762       3.069927  
1 1 1 -12 30 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 30 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 30 28 o 48.58557 1.210314  23.68479       1.172699  25.97756       1.735533  21.75848       1.590798  4.303261       2.420629  
1 1 1 -12 30 29 f 17.79056 1.910450  3.285483       0.6259567 5.011149       0.9400368 1.910761       0.8390229 8.877234       3.820901  
1 1 1 -12 30 30 o 6.953889 2.099199  -0.1705268     0.5582747 -0.8963142     0.8368576 0.4114902      0.7494017 -2.230012      4.198398  
1 1 1 -12 30 31 o 14.84609 2.125887  2.339065       0.6065964 2.436963       0.9078184 2.260099       0.8153292 0.5142612      4.251775  
1 1 1 -12 30 32 o 7.308310 2.310385  -0.3050245     0.6460137 -0.2300172     1.139008  -0.3405960     0.7843788 1.698186       4.620770  
1 1 1 -12 30 33 o 50.52839 1.871463  26.34376       1.874744  29.62550       2.616183  22.87978       2.687845  6.707741       3.742926  
1 1 1 -12 30 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 31 1  o 49.40989 0.7451115 24.45818       0.7358283 23.87897       1.018291  25.09113       1.064482  -1.220535      1.490223  
1 1 1 -12 31 2  o 79.86047 0.9691173 64.06161       1.547686  65.03210       2.210346  63.12814       2.167793  1.184761       1.938235  
1 1 1 -12 31 3  o 35.46910 0.7007960 12.61141       0.4970768 12.60893       0.6977666 12.61396       0.7082973 -0.5775452E-02 1.401592  
1 1 1 -12 31 4  o 28.12997 0.7135591 7.881550       0.3994865 9.070660       0.5894738 6.871548       0.5432690 3.903032       1.427118  
1 1 1 -12 31 5  o 22.42834 0.7800408 5.045819       0.3498775 4.979650       0.4948331 5.111970       0.4947698 -0.2949944     1.560082  
1 1 1 -12 31 6  o 42.38222 0.7195909 17.96864       0.6092409 19.14247       0.8847409 16.91008       0.8401788 2.627975       1.439182  
1 1 1 -12 31 7  o 51.83218 0.7611080 26.77466       0.7862599 24.93384       1.059486  29.03124       1.173045  -3.937286      1.522216  
1 1 1 -12 31 8  o 43.63227 0.7202922 19.08707       0.6285570 19.11347       0.8904161 19.06085       0.8874193 0.5992126E-01  1.440584  
1 1 1 -12 31 9  o 17.53012 0.9357823 3.098493       0.3251876 2.602454       0.4560613 3.611523       0.4638058 -2.876829      1.871565  
1 1 1 -12 31 10 o 77.80386 0.9487314 60.78117       1.475780  59.84982       2.054524  61.77396       2.121210  -1.225304      1.897463  
1 1 1 -12 31 11 o 40.68348 0.7226526 16.38106       0.5841968 18.85620       0.8861328 14.47829       0.7769502 5.366386       1.445305  
1 1 1 -12 31 12 o 97.60114 1.127435  95.58222       2.195650  91.83120       2.984550  100.0072       3.241588  -4.136383      2.254871  
1 1 1 -12 31 13 o 60.70334 0.8161896 36.69019       0.9859667 39.79291       1.487893  34.26105       1.316517  4.531059       1.632379  
1 1 1 -12 31 14 o 66.10884 0.8588791 43.79218       1.134492  42.02781       1.563258  45.75541       1.649000  -2.805717      1.717758  
1 1 1 -12 31 15 f 88.84584 1.047925  79.28982       1.860196  81.66074       2.705218  77.16322       2.562045  2.502930       2.095849  
1 1 1 -12 31 16 o 78.60330 0.9619920 61.71412       1.506316  58.02027       2.023175  66.30850       2.256356  -5.229164      1.923984  
1 1 1 -12 31 17 f 23.16866 0.8060270 5.359290       0.3718092 5.669477       0.5583423 5.112142       0.4983861 1.193317       1.612054  
1 1 1 -12 31 18 o 34.76563 0.7295079 12.10295       0.5058274 12.37611       0.7471388 11.87179       0.6872981 0.7166519      1.459016  
1 1 1 -12 31 19 o 78.52533 0.9634193 61.98580       1.513039  61.62229       2.139092  62.34976       2.140430  -0.4629440     1.926839  
1 1 1 -12 31 20 o 50.59697 1.205102  25.67675       1.216024  28.40623       1.791369  23.34410       1.656030  4.969425       2.410203  
1 1 1 -12 31 21 f 51.85644 0.7808247 26.99328       0.8096581 26.43940       1.146799  27.54375       1.143268  -1.065399      1.561649  
1 1 1 -12 31 22 o 35.58645 0.9468383 12.76383       0.6700645 12.44586       0.9952984 13.02741       0.9061865 -0.8357353     1.893677  
1 1 1 -12 31 23 o 68.31995 1.201682  46.86031       1.637587  43.70552       2.220139  50.62487       2.425222  -5.008942      2.403365  
1 1 1 -12 31 24 o 15.49968 1.219338  2.428532       0.3773649 2.532381       0.5269557 2.319213       0.5406572 0.6913271      2.438676  
1 1 1 -12 31 25 o 36.47477 0.7599651 13.27446       0.5518352 14.13881       0.8297998 12.58909       0.7389097 2.108944       1.519930  
1 1 1 -12 31 26 o 32.37678 0.7854670 10.53569       0.5069233 10.38135       0.7449931 10.66875       0.6917588 -0.4534225     1.570934  
1 1 1 -12 31 27 o 54.21754 0.8085259 29.49308       0.8757604 30.16553       1.274109  28.89086       1.205742  1.162369       1.617052  
1 1 1 -12 31 28 o 49.97498 0.8558905 25.24599       0.8504345 22.66645       1.222540  27.66459       1.183788  -5.008884      1.711781  
1 1 1 -12 31 29 o 57.21004 0.9542846 32.84150       1.089966  34.61731       1.600711  31.30634       1.488308  2.866840       1.908569  
1 1 1 -12 31 30 o 33.95541 1.007017  11.86813       0.6678577 9.998632       1.006420  13.33918       0.8927505 -4.946430      2.014034  
1 1 1 -12 31 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 32 1  o 19.54469 0.8129451 3.833140       0.3175333 3.630805       0.4449432 4.043140       0.4532928 -1.053497      1.625890  
1 1 1 -12 32 2  o 26.55730 0.7331179 7.074222       0.3893907 7.099125       0.5516884 7.049500       0.5496803 0.9313583E-01  1.466236  
1 1 1 -12 32 3  o 32.30573 0.7145965 10.38572       0.4596996 9.204782       0.6217822 11.80942       0.6827073 -4.022554      1.429193  
1 1 1 -12 32 4  o 24.85147 0.7547311 6.192132       0.3748918 6.507038       0.5367207 5.892128       0.5238671 1.235235       1.509462  
1 1 1 -12 32 5  o 32.63985 0.7144182 10.67140       0.4660815 11.16192       0.6721064 10.21699       0.6468937 1.443924       1.428836  
1 1 1 -12 32 6  o 21.43129 0.8323235 4.607469       0.3549551 4.006068       0.4924029 5.258057       0.5121436 -2.917677      1.664647  
1 1 1 -12 32 7  o 44.10210 0.7368886 19.50796       0.6499412 19.31048       0.9144815 19.70954       0.9239022 -0.4510422     1.473777  
1 1 1 -12 32 8  o 41.47327 0.7333431 17.17740       0.6069569 15.97053       0.8273344 18.58400       0.8931751 -3.141159      1.466686  
1 1 1 -12 32 9  o 39.15932 0.7325060 15.35813       0.5732535 14.75516       0.7924971 16.01987       0.8302240 -1.609306      1.465012  
1 1 1 -12 32 10 o 37.71848 0.7270968 14.11477       0.5454917 16.14370       0.8209435 12.51075       0.7299348 4.802616       1.454194  
1 1 1 -12 32 11 f 41.25059 0.7337350 16.97329       0.6036515 15.60184       0.8194533 18.60056       0.8926158 -3.623955      1.467470  
1 1 1 -12 32 12 f 43.60706 0.8179514 19.23552       0.7041301 20.13272       0.9371407 18.07236       1.067038  2.383904       1.635903  
1 1 1 -12 32 13 o 30.63562 0.7207922 9.410703       0.4402998 9.456800       0.6491442 9.371427       0.5992054 0.1318665      1.441584  
1 1 1 -12 32 14 o 40.73695 0.7217563 16.50632       0.5847542 17.96064       0.8859811 15.38383       0.7783656 3.146145       1.443513  
1 1 1 -12 32 15 f 35.57934 0.7200258 12.70965       0.5114848 11.80702       0.7208979 13.62468       0.7258250 -2.553596      1.440052  
1 1 1 -12 32 16 o 61.41428 0.8305543 37.80111       1.018497  39.23490       1.492710  36.55215       1.393180  2.165668       1.661109  
1 1 1 -12 32 17 o 14.79213 1.134880  1.966773       0.3091775 3.599393       0.5354502 1.150185       0.3786851 8.240574       2.269760  
1 1 1 -12 32 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 32 19 o 31.04656 0.9370589 9.593673       0.5742483 10.28035       0.8992993 9.120919       0.7461843 1.835552       1.874118  
1 1 1 -12 32 20 o 22.76687 0.9106138 5.198343       0.4140072 5.613922       0.6006516 4.822216       0.5714300 1.732758       1.821228  
1 1 1 -12 32 21 o 30.37246 0.7752782 9.329885       0.4673864 8.304740       0.6760727 10.26836       0.6468626 -3.237722      1.550556  
1 1 1 -12 32 22 o 41.11806 0.7547758 16.97447       0.6205087 16.49553       0.8776753 17.45311       0.8773885 -1.164478      1.509552  
1 1 1 -12 32 23 o 36.33477 0.7672930 13.21412       0.5551538 11.57322       0.7637980 15.05182       0.8083031 -4.778580      1.534586  
1 1 1 -12 32 24 o 29.59632 0.8322991 8.870847       0.4850732 8.378469       0.7428332 9.236890       0.6404837 -1.471523      1.664598  
1 1 1 -12 32 25 o 14.82026 1.286319  2.235029       0.3750731 2.144836       0.5786235 2.300391       0.4925732 -0.5522175     2.572637  
1 1 1 -12 32 26 o 16.23776 1.273553  2.663321       0.4083469 2.683991       0.6305224 2.648389       0.5359215 0.8032608E-01  2.547107  
1 1 1 -12 32 27 o 54.82491 1.504956  0.000000       0.000000  ?              ?         30.29764       1.650181  ?              ?         
1 1 1 -12 32 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 33 1  o 23.07187 0.8562058 5.368252       0.3935082 5.788693       0.5489193 4.923740       0.5644134 1.877407       1.712412  
1 1 1 -12 33 2  o 12.36880 1.206088  1.528227       0.2965341 1.320237       0.3990516 1.784701       0.4431280 -1.865840      2.412175  
1 1 1 -12 33 3  o 12.39067 2.603859  1.531015       0.3980337 1.557396       0.4076063 0.9890613      1.847460  0.7370853E-01  5.207719  
1 1 1 -12 33 4  o 18.52753 2.842142  3.661342       0.8798719 3.662200       0.9937010 3.658227       1.893273  0.8142796      5.684284  
1 1 1 -12 33 5  o 11.64307 2.960986  1.280393       0.8213006 1.464075       0.9374333 0.6737717      1.703591  0.3457737      5.921973  
1 1 1 -12 33 6  o 22.50261 1.291531  5.239508       0.5045305 4.864203       0.9842686 5.373266       0.5875988 -1.239124      2.583061  
1 1 1 -12 33 7  o 42.66757 0.7428412 18.19765       0.6326841 19.61374       0.9284335 16.96991       0.8644858 3.087700       1.485682  
1 1 1 -12 33 8  f 46.62233 0.7536423 21.81104       0.7026790 22.18109       0.9993122 21.44913       0.9882563 0.7831535      1.507285  
1 1 1 -12 33 9  o 71.19606 0.9088421 50.86916       1.292864  52.79459       1.879776  49.14076       1.780991  2.546135       1.817684  
1 1 1 -12 33 10 o 22.11119 0.8404017 4.906925       0.3713078 5.210271       0.5326321 4.620133       0.5178950 1.331720       1.680803  
1 1 1 -12 33 11 f 29.91807 0.7526442 8.980991       0.4501013 9.403164       0.6418517 8.572511       0.6313570 1.386444       1.505288  
1 1 1 -12 33 12 o 21.64561 0.8179001 4.598920       0.3498339 5.452863       0.5484271 4.013071       0.4542526 3.308382       1.635800  
1 1 1 -12 33 13 o 9.117474 1.600059  0.9283649      0.3000389 0.5156416      0.5111027 1.145387       0.3706214 -3.065619      3.200118  
1 1 1 -12 33 14 o 26.72327 0.9139867 7.239602       0.4825300 6.743952       0.7269416 7.629997       0.6451566 -1.674988      1.827973  
1 1 1 -12 33 15 o 20.66215 1.052756  3.877084       0.4111069 6.387137       0.7125035 2.624409       0.5033438 9.054293       2.105512  
1 1 1 -12 33 16 o 28.31269 1.739166  8.294604       0.9505016 7.707826       1.529746  8.663601       1.213092  -1.817759      3.478331  
1 1 1 -12 33 17 f 42.42578 0.8633288 17.94504       0.7026352 18.61149       1.183179  17.58196       0.8733018 1.148075       1.726658  
1 1 1 -12 33 18 o 40.10507 0.9044523 15.86078       0.7078661 17.58999       1.156833  14.82581       0.8949737 3.386642       1.808905  
1 1 1 -12 33 19 o 40.45431 0.9489633 16.51554       0.7651417 15.80445       1.114350  17.14983       1.052449  -1.677605      1.897927  
1 1 1 -12 33 20 o 27.69055 0.9642344 7.570614       0.5271040 8.629431       0.8306636 6.856868       0.6820037 3.165205       1.928469  
1 1 1 -12 33 21 o 13.03676 1.604533  1.625459       0.3927275 2.762288       0.6488059 0.9680558      0.4933817 6.947608       3.209067  
1 1 1 -12 33 22 o 20.86065 1.170811  4.529804       0.4713028 3.744943       0.7297256 5.091509       0.6173303 -3.259304      2.341622  
1 1 1 -12 33 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 34 1  o 21.53430 0.9163913 4.609847       0.3917628 5.474467       0.5879838 3.919588       0.5253623 3.595947       1.832783  
1 1 1 -12 34 2  o 35.26396 0.8552976 12.49775       0.6030830 12.12341       0.8471848 12.88235       0.8587083 -1.073605      1.710595  
1 1 1 -12 34 3  o 37.23840 0.8632139 13.92869       0.6425980 14.33967       0.9260398 13.54700       0.8924332 1.057030       1.726428  
1 1 1 -12 34 4  o 37.05803 0.8674874 13.79891       0.6427622 13.39223       0.8974093 14.22730       0.9210581 -1.121532      1.734975  
1 1 1 -12 34 5  o 60.93800 1.077993  37.27428       1.310149  35.28241       1.773635  39.66638       1.943679  -3.550850      2.155985  
1 1 1 -12 34 6  f 25.45785 0.9140895 6.525506       0.4646263 6.074172       0.6557146 6.980622       0.6584557 -1.779669      1.828179  
1 1 1 -12 34 7  o 30.43593 0.8934498 9.313962       0.5437664 9.425656       0.7777622 9.207162       0.7605310 0.3550701      1.786900  
1 1 1 -12 34 8  o 55.72753 1.030196  31.25501       1.147329  32.14272       1.662588  30.44790       1.585307  1.500652       2.060392  
1 1 1 -12 34 9  o 15.75903 1.229300  2.517476       0.3861790 2.383514       0.5592323 2.639587       0.5339253 -0.8202133     2.458600  
1 1 1 -12 34 10 o 56.30410 1.047435  31.94422       1.179472  31.71221       1.661503  32.17991       1.674625  -0.4119263     2.094871  
1 1 1 -12 34 11 o 39.93836 0.9329102 16.04221       0.7450368 15.78549       1.041303  16.31146       1.066429  -0.6527061     1.865820  
1 1 1 -12 34 12 o 57.73907 1.063483  33.56929       1.227039  34.27523       1.779273  32.92907       1.694425  1.143665       2.126966  
1 1 1 -12 34 13 o 55.15427 1.509006  30.65890       1.664562  30.65890       1.664562  ?              ?         ?              ?         
1 1 1 -12 34 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 34 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 34 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -12 34 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  1  o 120.5888 1.827865  145.6073       4.403303  144.2813       6.167041  146.9863       6.289176  -0.000000      0.000000  
1 1 1 -11 0  2  o 164.5973 2.461550  271.2864       8.093757  273.6142       11.57586  269.0601       11.32099  -0.000000      0.000000  
1 1 1 -11 0  3  o 239.3913 5.004565  574.0343       23.93767  574.0343       23.93767  574.0343       23.93767  -0.000000      0.000000  
1 1 1 -11 0  4  f 569.1010 11.82469  3249.288       134.4594  3249.288       134.4594  3249.288       134.4594  -0.000000      0.000000  
1 1 1 -11 0  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  8  o 54.34389 1.328535  29.58623       1.442040  29.58623       1.442040  29.58623       1.442040  -0.000000      0.000000  
1 1 1 -11 0  9  f 146.2322 2.192184  213.9346       6.399448  219.2399       9.283724  209.1315       8.833430  -0.000000      0.000000  
1 1 1 -11 0  10 f 243.7050 3.602935  594.7424       17.53905  602.1265       25.16040  587.7623       24.46224  -0.000000      0.000000  
1 1 1 -11 0  11 o 173.8638 2.591860  302.7429       9.003480  303.6360       12.78406  301.8640       12.68224  -0.000000      0.000000  
1 1 1 -11 0  12 o 23.34907 0.7435951 5.474520       0.3451796 5.920089       0.4993208 5.066681       0.4777112 -0.000000      0.000000  
1 1 1 -11 0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  14 o 538.2534 7.928046  2906.138       85.23675  2947.352       122.3887  2867.319       118.7783  -0.000000      0.000000  
1 1 1 -11 0  15 o 477.8702 7.021600  2289.686       67.01826  2256.731       93.25677  2324.882       96.37648  -0.000000      0.000000  
1 1 1 -11 0  16 o 280.1616 4.133912  786.1884       23.13435  797.1567       33.19094  775.8249       32.26261  -0.000000      0.000000  
1 1 1 -11 0  17 f 27.33847 0.7558319 7.491904       0.4113826 8.005805       0.5968832 7.026906       0.5677735 -0.000000      0.000000  
1 1 1 -11 0  18 o 25.69199 0.7698998 6.633758       0.3938863 6.919982       0.5627893 6.358941       0.5514621 -0.000000      0.000000  
1 1 1 -11 0  19 o 284.1716 4.191239  809.3082       23.79751  810.1428       33.69004  808.4772       33.61958  -0.000000      0.000000  
1 1 1 -11 0  20 o 114.7431 1.756340  131.3856       4.014561  125.9605       5.432986  137.9103       5.958183  -0.000000      0.000000  
1 1 1 -11 0  21 o 294.5728 4.346451  869.8306       25.58032  863.7903       35.92251  876.0445       36.43500  -0.000000      0.000000  
1 1 1 -11 0  22 o 36.15599 1.128947  13.15009       0.8129234 13.05030       1.148784  13.25019       1.150513  -0.000000      0.000000  
1 1 1 -11 0  23 o 167.2383 2.501095  280.1058       8.354877  276.5785       11.65108  283.8396       11.98725  -0.000000      0.000000  
1 1 1 -11 0  24 o 182.8490 2.724996  334.9590       9.954343  337.6124       14.20148  332.3963       13.95684  -0.000000      0.000000  
1 1 1 -11 0  25 o 206.6307 3.074255  427.6798       12.68622  420.1906       17.61900  435.7427       18.28140  -0.000000      0.000000  
1 1 1 -11 0  26 o 370.3285 5.462220  1377.590       40.41223  1365.628       56.62645  1390.006       57.69148  -0.000000      0.000000  
1 1 1 -11 0  27 o 219.6797 3.265490  483.7657       14.33227  479.7547       20.13525  487.8851       20.40524  -0.000000      0.000000  
1 1 1 -11 0  28 o 132.4668 2.016926  175.7808       5.337694  174.3105       7.499801  177.2900       7.598445  -0.000000      0.000000  
1 1 1 -11 0  29 o 27.02270 0.8888791 7.313554       0.4763070 8.267090       0.6991939 6.487890       0.6506250 -0.000000      0.000000  
1 1 1 -11 0  30 o 300.8426 4.446037  908.4028       26.72164  900.4677       37.43060  916.6504       38.16018  -0.000000      0.000000  
1 1 1 -11 0  31 o 130.8948 1.990596  171.6651       5.205807  171.5605       7.361074  171.7697       7.363173  -0.000000      0.000000  
1 1 1 -11 0  32 o 33.98576 0.8897761 11.53671       0.6012800 12.71850       0.8869120 10.53156       0.8179455 -0.000000      0.000000  
1 1 1 -11 0  33 o 114.4212 1.766475  131.1431       4.037442  129.5735       5.645830  132.7858       5.776005  -0.000000      0.000000  
1 1 1 -11 0  34 o 5.116238 2.068980  0.3392157      0.3303538 0.4057253      0.4578972 0.2670186      0.4770744 -0.000000      0.000000  
1 1 1 -11 0  35 o 20.81044 1.064272  4.403493       0.4365123 3.934512       0.6113198 4.891354       0.6235039 -0.000000      0.000000  
1 1 1 -11 0  36 f 14.26179 1.380172  2.087445       0.3867784 2.129311       0.5551175 2.047945       0.5392041 -0.000000      0.000000  
1 1 1 -11 0  37 o 254.8332 3.785148  652.6619       19.26650  662.0196       27.66866  643.8538       26.84394  -0.000000      0.000000  
1 1 1 -11 0  38 o 44.35754 0.9548621 19.74042       0.8451549 19.52851       1.205037  19.94556       1.185657  -0.000000      0.000000  
1 1 1 -11 0  39 o 46.88342 0.9705293 22.03292       0.9079543 22.46188       1.306579  21.63234       1.262631  -0.000000      0.000000  
1 1 1 -11 0  40 o 124.7034 1.918301  155.8869       4.776721  152.8998       6.624550  159.1219       6.894116  -0.000000      0.000000  
1 1 1 -11 0  41 o 21.35139 1.049250  4.609472       0.4423349 5.122836       0.6463090 4.157131       0.6066819 -0.000000      0.000000  
1 1 1 -11 0  42 f 18.30349 1.140622  3.442782       0.4089738 3.823713       0.5775315 3.059614       0.5792249 -0.000000      0.000000  
1 1 1 -11 0  43 o 47.89382 0.9913128 22.99844       0.9473997 23.48523       1.363003  22.54340       1.317791  -0.000000      0.000000  
1 1 1 -11 0  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  45 o 30.38721 0.9747607 9.294085       0.5895826 9.419742       0.8471321 9.176041       0.8210698 -0.000000      0.000000  
1 1 1 -11 0  46 o 39.32729 0.9700854 15.52392       0.7603934 14.69473       1.060874  16.40000       1.090454  -0.000000      0.000000  
1 1 1 -11 0  47 o 79.54153 1.338969  63.48152       2.127275  62.75204       2.990173  64.22907       3.027008  -0.000000      0.000000  
1 1 1 -11 0  48 o 54.91672 1.084464  30.26751       1.189044  30.16935       1.682389  30.36547       1.680735  -0.000000      0.000000  
1 1 1 -11 0  49 o 156.0732 2.383100  245.5909       7.430810  244.2486       10.45899  246.9590       10.55923  -0.000000      0.000000  
1 1 1 -11 0  50 o 20.64701 1.256354  4.297987       0.4998794 5.663974       0.7573372 3.243452       0.6654208 -0.000000      0.000000  
1 1 1 -11 0  51 o 114.3497 1.805071  131.5871       4.123582  131.0297       5.819059  132.1494       5.844273  -0.000000      0.000000  
1 1 1 -11 0  52 o 6.305770 2.443472  0.5681148      0.4364285 0.5332218      0.6202210 0.6023367      0.6142287 -0.000000      0.000000  
1 1 1 -11 0  53 o 52.62254 1.101747  27.82199       1.156797  27.90751       1.661566  27.74155       1.611499  -0.000000      0.000000  
1 1 1 -11 0  54 o 6.983094 3.607907  0.7263610      0.6407301 0.7263610      0.6407301 0.7263610      0.6407301 -0.000000      0.000000  
1 1 1 -11 0  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  58 o 30.70757 1.681296  9.721394       1.005625  10.04751       1.330931  9.287507       1.535172  -0.000000      0.000000  
1 1 1 -11 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 0  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 1  1  o 181.3034 2.688440  328.7457       9.745941  332.9529       13.97436  324.7614       13.59899  2.257034       5.376880  
1 1 1 -11 1  2  o 377.4867 5.542890  1427.344       41.84478  1419.723       58.79410  1435.166       59.56842  -2.036987      11.08578  
1 1 1 -11 1  3  o 518.7710 7.620088  2698.679       79.02917  2744.771       113.7373  2655.653       109.8902  8.530945       15.24018  
1 1 1 -11 1  4  o 490.7681 6.322731  2363.073       56.59323  2293.447       66.93520  2537.628       105.9825  -24.39444      12.64546  
1 1 1 -11 1  5  o 475.8120 4.948907  2259.280       46.96291  2169.328       63.61756  2367.002       69.61857  -20.71329      9.897814  
1 1 1 -11 1  6  o 362.6917 3.763021  1316.500       27.29633  1316.340       38.60320  1316.660       38.60249  -0.4418945E-01 7.526043  
1 1 1 -11 1  7  o 131.4461 1.728290  169.8771       4.177743  165.5445       4.975583  180.2318       7.691985  -5.577606      3.456581  
1 1 1 -11 1  8  o 299.7000 4.406435  898.5002       26.39466  881.3757       36.54106  917.1829       38.16741  -5.959473      8.812870  
1 1 1 -11 1  9  o 452.9277 6.659945  2052.879       60.24035  1991.455       82.53844  2122.892       88.12070  -14.43448      13.31989  
1 1 1 -11 1  10 o 245.2086 3.619591  601.5121       17.74599  610.4245       25.46725  593.1005       24.74173  3.527084       7.239182  
1 1 1 -11 1  11 o 419.3497 5.319998  1765.367       42.22486  1749.562       72.40551  1773.513       51.97874  -3.082397      10.64000  
1 1 1 -11 1  12 o 188.3680 3.948070  0.000000       0.000000  ?              ?         354.9973       14.87380  ?              ?         
1 1 1 -11 1  13 o 226.9296 2.373123  514.7849       10.76340  505.5396       14.90087  524.8716       15.56429  -4.255798      4.746246  
1 1 1 -11 1  14 f 421.2760 6.189780  1779.412       52.15102  1787.141       74.04472  1771.804       73.46407  1.811432       12.37956  
1 1 1 -11 1  15 o 143.9484 1.526657  207.2036       4.394483  209.5470       6.283582  204.9601       6.148106  1.592712       3.053315  
1 1 1 -11 1  16 o 370.0284 3.843444  1370.704       28.44195  1379.861       40.49190  1361.786       39.95938  2.436646       7.686889  
1 1 1 -11 1  17 o 125.3658 1.342013  157.1453       3.364062  155.2479       4.696829  159.1440       4.820589  -1.553398      2.684027  
1 1 1 -11 1  18 o 263.6936 2.751233  695.5269       14.50412  706.3118       20.85881  685.4308       20.18178  3.953217       5.502466  
1 1 1 -11 1  19 o 232.9596 2.432145  542.7291       11.32644  533.7838       15.73025  552.3604       16.32214  -3.981842      4.864289  
1 1 1 -11 1  20 o 149.5272 1.588934  223.4254       4.747844  218.4880       6.556359  228.8697       6.884589  -3.469376      3.177868  
1 1 1 -11 1  21 o 93.55535 1.035699  86.88849       1.927087  93.50015       2.917713  81.77253       2.566558  6.266083       2.071398  
1 1 1 -11 1  22 f 315.9039 3.286100  999.3792       20.75986  992.0942       29.12021  1006.908       29.60351  -2.336639      6.572199  
1 1 1 -11 1  23 o 34.60912 0.5832536 11.52576       0.3960133 9.406015       0.5064374 14.86169       0.6353192 -7.881428      1.166507  
1 1 1 -11 1  24 o 145.9107 1.550254  212.9713       4.523660  214.4479       6.443126  211.5359       6.352677  0.9970093      3.100509  
1 1 1 -11 1  25 o 170.6696 1.799460  290.7723       6.129859  281.1543       8.356823  301.9746       9.018840  -6.091095      3.598921  
1 1 1 -11 1  26 f 136.7866 1.459751  187.1678       3.992982  185.5664       5.594076  188.8313       5.701310  -1.192184      2.919501  
1 1 1 -11 1  27 o 250.6250 2.616951  628.1740       13.10095  611.8085       17.99559  646.6284       19.10964  -6.923386      5.233902  
1 1 1 -11 1  28 f 139.1252 1.484401  192.8678       4.116615  184.6385       5.556403  202.8813       6.129200  -6.549606      2.968801  
1 1 1 -11 1  29 f 197.3012 2.072291  389.6707       8.177139  388.1938       11.51974  391.1707       11.60922  -0.7528229     4.144582  
1 1 1 -11 1  30 o 256.2142 2.675495  657.6644       13.70994  658.6094       19.42064  656.7256       19.35710  0.3660583      5.350990  
1 1 1 -11 1  31 o 250.2112 2.614441  627.1886       13.08239  623.2919       18.37602  631.1932       18.62918  -1.572464      5.228881  
1 1 1 -11 1  32 o 122.6841 1.325265  149.5325       3.233145  160.1564       4.897418  141.3254       4.304471  7.666206       2.650530  
1 1 1 -11 1  33 o 78.12740 0.9045126 61.05071       1.413284  60.59700       1.987454  61.51481       2.010108  -0.5871506     1.809025  
1 1 1 -11 1  34 o 77.18031 0.8984537 58.54149       1.369458  53.41264       1.774453  66.09583       2.153540  -8.212234      1.796907  
1 1 1 -11 1  35 o 34.01297 0.6382365 11.47622       0.4323143 12.97077       0.6440853 10.25084       0.5832074 3.997784       1.276473  
1 1 1 -11 1  36 o 125.7253 1.360269  157.9957       3.416602  162.4605       4.974425  154.0085       4.700788  3.355103       2.720539  
1 1 1 -11 1  37 o 17.19390 0.8505185 2.954741       0.2870263 3.773195       0.4205457 2.241030       0.3927149 4.455076       1.701037  
1 1 1 -11 1  38 o 141.1796 1.514028  199.4643       4.272250  203.7616       6.176239  195.5217       5.915912  2.908966       3.028056  
1 1 1 -11 1  39 o 53.78156 0.7221137 28.45578       0.7688225 25.71777       1.003589  32.34522       1.196139  -6.157528      1.444227  
1 1 1 -11 1  40 f 90.51196 1.027069  82.00068       1.859172  81.55258       2.615673  82.45821       2.643074  -0.4993439     2.054138  
1 1 1 -11 1  41 o 123.0861 1.338093  151.0233       3.280895  143.8435       4.409470  159.9280       4.910662  -6.509621      2.676187  
1 1 1 -11 1  42 o 22.46710 0.7260242 5.036945       0.3251775 4.493534       0.4481727 5.641040       0.4725347 -2.552975      1.452048  
1 1 1 -11 1  43 o 71.97580 0.8693307 51.65701       1.248102  49.25330       1.691764  54.52781       1.848842  -3.657700      1.738661  
1 1 1 -11 1  44 o 32.48588 1.838277  0.000000       0.000000  ?              ?         10.57945       1.194361  ?              ?         
1 1 1 -11 1  45 o 94.79749 1.076198  89.94190       2.038999  87.83539       2.820499  92.24800       2.951092  -2.319633      2.152395  
1 1 1 -11 1  46 o 32.07646 0.6758581 10.24619       0.4323106 11.39351       0.6352842 9.256656       0.5899849 3.328947       1.351716  
1 1 1 -11 1  47 f 55.12140 0.7560756 30.40007       0.8332362 31.11338       1.197606  29.73080       1.160040  1.252121       1.512151  
1 1 1 -11 1  48 o 44.06335 0.7103337 19.30705       0.6238495 17.78348       0.8416861 21.16441       0.9293224 -3.831646      1.420667  
1 1 1 -11 1  49 o 73.92177 0.9044653 54.72211       1.336695  55.84719       1.922685  53.66962       1.859636  1.467987       1.808931  
1 1 1 -11 1  50 o 79.07972 0.9502034 62.69301       1.502825  62.36417       2.121207  63.02439       2.129447  -0.4166718     1.900407  
1 1 1 -11 1  51 o 16.26528 1.293256  2.727804       0.3867903 2.478581       0.6839335 2.844995       0.4689946 -1.154858      2.586512  
1 1 1 -11 1  52 o 40.79084 1.033500  16.67381       0.8420806 17.14157       1.228190  16.25886       1.156779  1.073425       2.067000  
1 1 1 -11 1  53 o 10.03032 2.091231  1.036448       0.4513406 1.203420       0.6351085 0.8660855      0.6415238 1.358084       4.182461  
1 1 1 -11 1  54 o 27.59948 0.9806728 7.559151       0.5120856 7.385565       0.6260234 7.910185       0.8902406 -0.9155350     1.961346  
1 1 1 -11 1  55 o 68.26443 0.8883975 46.72650       1.212425  45.92971       1.685822  47.58017       1.744963  -1.201241      1.776795  
1 1 1 -11 1  56 o 35.87154 0.7729012 12.89264       0.5543222 12.54577       0.7723409 13.26114       0.7960569 -0.9943237     1.545802  
1 1 1 -11 1  57 o 46.32058 0.7961784 21.32618       0.7342010 24.03452       1.099984  19.15014       0.9859802 5.256538       1.592357  
1 1 1 -11 1  58 o 40.34801 1.290182  15.83638       0.9876870 14.69697       1.199701  18.23314       1.739990  -4.258629      2.580364  
1 1 1 -11 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 1  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 2  1  o 376.6272 4.823438  1402.254       33.57606  1373.927       40.19810  1467.624       61.06428  -12.23740      9.646875  
1 1 1 -11 2  2  o 327.3541 3.407481  1072.071       22.30297  1062.444       31.12326  1082.233       31.97635  -3.016815      6.814961  
1 1 1 -11 2  3  o 459.9810 4.783027  2111.132       43.87295  2211.578       65.10324  2027.564       59.38211  19.94742       9.566054  
1 1 1 -11 2  4  o 209.0329 2.186368  435.9850       9.120943  452.8445       13.43381  421.5665       12.42330  7.477158       4.372737  
1 1 1 -11 2  5  o 410.1935 4.258392  1684.114       34.93240  1669.609       49.01957  1699.081       49.79328  -3.585846      8.516785  
1 1 1 -11 2  6  o 285.8337 2.976383  817.3036       17.01307  824.6649       24.28187  810.2053       23.84432  2.526764       5.952766  
1 1 1 -11 2  7  f 57.88496 0.6928327 33.50728       0.8020863 33.58850       1.136895  33.42679       1.131765  0.1396790      1.385665  
1 1 1 -11 2  8  o 462.9264 4.807205  2144.356       44.48272  2188.297       64.21407  2103.815       61.67862  9.100037       9.614410  
1 1 1 -11 2  9  o 256.2975 2.670615  656.3314       13.67445  640.6028       18.81999  673.9214       19.90257  -6.494049      5.341231  
1 1 1 -11 2  10 o 297.4722 3.354793  878.5285       19.52967  853.1246       24.98126  918.4586       31.31945  -10.93698      6.709585  
1 1 1 -11 2  11 o 509.6652 9.281838  2567.529       87.25911  2500.743       104.1850  2724.461       159.7052  -20.84619      18.56368  
1 1 1 -11 2  12 o 537.7749 7.910572  2903.191       85.07366  2876.107       119.2926  2931.222       121.3587  -5.087341      15.82114  
1 1 1 -11 2  13 o 310.5102 4.571238  965.5132       28.38813  968.8497       40.23382  962.2057       40.06051  1.067932       9.142475  
1 1 1 -11 2  14 o 180.8082 2.690368  327.0706       9.728534  328.9650       13.82275  325.2112       13.69459  1.037216       5.380737  
1 1 1 -11 2  15 o 213.3972 2.776207  441.9006       10.68508  487.4139       20.51776  424.9639       12.51627  14.57352       5.552414  
1 1 1 -11 2  16 o 196.4993 2.059196  385.7821       8.084245  376.5276       11.13386  396.1020       11.75730  -4.977081      4.118391  
1 1 1 -11 2  17 o 81.37656 0.9185760 64.06072       1.458236  75.99908       2.405663  57.12599       1.833484  11.59453       1.837152  
1 1 1 -11 2  18 o 285.0314 2.966201  812.4871       16.89791  829.4180       24.43684  796.9731       23.39191  5.680969       5.932402  
1 1 1 -11 2  19 o 181.0351 1.903100  327.8459       6.890206  326.2469       9.686407  329.4836       9.803085  -0.8931122     3.806201  
1 1 1 -11 2  20 o 186.5741 1.958901  348.1107       7.306966  343.1133       10.17144  353.4401       10.50379  -2.764740      3.917802  
1 1 1 -11 2  21 o 130.8099 1.397199  170.5861       3.645339  163.9299       4.940638  178.5392       5.400589  -5.581131      2.794398  
1 1 1 -11 2  22 o 266.3859 2.776305  709.5177       14.77518  728.5888       21.50449  692.4645       20.33504  6.763702       5.552610  
1 1 1 -11 2  23 o 86.47043 0.9659908 74.71210       1.669392  73.02806       2.308584  76.55790       2.416894  -2.040466      1.931982  
1 1 1 -11 2  24 o 92.68512 1.034529  85.21001       1.904608  91.80615       2.904303  80.23279       2.522845  6.240837       2.069058  
1 1 1 -11 2  25 o 143.5474 1.527473  205.9894       4.382446  210.6165       6.336792  201.7474       6.067411  3.086258       3.054946  
1 1 1 -11 2  26 f 172.8441 1.823167  297.0577       6.268181  316.6764       9.474435  281.7864       8.359060  10.07655       3.646335  
1 1 1 -11 2  27 o 74.99315 0.8646966 56.15394       1.295375  54.40504       1.779799  58.12391       1.888944  -2.478722      1.729393  
1 1 1 -11 2  28 f 210.3464 2.205392  442.7592       9.274764  436.5238       12.91627  449.3969       13.32634  -3.052841      4.410784  
1 1 1 -11 2  29 o 149.5025 1.589048  223.3412       4.745835  229.7279       6.913728  217.6503       6.526267  4.033920       3.178096  
1 1 1 -11 2  30 o 261.0829 2.725427  682.9537       14.23118  681.8446       20.08919  684.0707       20.16288  -0.4244995     5.450855  
1 1 1 -11 2  31 o 56.33169 0.7277343 31.50957       0.8165052 29.29177       1.095541  34.28087       1.224639  -4.427395      1.455469  
1 1 1 -11 2  32 o 232.3364 2.433859  540.7677       11.30931  542.2188       16.04529  539.3351       15.94277  0.6179047      4.867718  
1 1 1 -11 2  33 o 211.4292 2.219502  447.2758       9.377126  437.2279       12.94064  458.3851       13.60695  -4.986267      4.439005  
1 1 1 -11 2  34 o 146.6194 1.564196  215.1339       4.586197  217.1044       6.551118  213.2400       6.422518  1.315186       3.128391  
1 1 1 -11 2  35 o 33.20020 0.6381540 10.87961       0.4209312 12.59675       0.6381380 9.557000       0.5600500 4.577141       1.276308  
1 1 1 -11 2  36 o 43.35085 0.6644272 18.57454       0.5725969 16.66016       0.7616671 21.06262       0.8683240 -5.076508      1.328854  
1 1 1 -11 2  37 o 59.57334 0.7578127 35.39241       0.9011161 37.20234       1.326440  33.84120       1.227988  2.819454       1.515625  
1 1 1 -11 2  38 f 94.50563 1.062026  88.79771       1.997605  83.81831       2.670513  95.12329       3.009925  -5.972488      2.124051  
1 1 1 -11 2  39 o 134.3811 1.448434  180.8606       3.892285  182.6750       5.561444  179.1187       5.449312  1.318542       2.896868  
1 1 1 -11 2  40 o 83.53883 0.9630159 69.25801       1.599251  64.80173       2.124571  75.08431       2.429302  -6.144608      1.926032  
1 1 1 -11 2  41 o 80.48034 0.9369929 64.82239       1.508076  64.20808       2.116830  65.45552       2.149016  -0.7738800     1.873986  
1 1 1 -11 2  42 o 87.39324 1.001537  76.46582       1.750469  75.86607       2.461017  77.07993       2.490317  -0.6931915     2.003073  
1 1 1 -11 2  43 o 120.6745 1.320426  145.7481       3.183208  141.7186       4.377486  150.2699       4.637205  -3.526909      2.640851  
1 1 1 -11 2  44 o 69.80244 1.217279  48.81501       1.698884  48.22112       2.368763  49.44407       2.437898  -0.8715973     2.434558  
1 1 1 -11 2  45 o 25.95029 0.7153521 6.712702       0.3663861 5.320420       0.5000753 8.326165       0.5383336 -5.789846      1.430704  
1 1 1 -11 2  46 o 53.13200 0.7393892 28.25373       0.7855957 28.51229       1.122201  28.00526       1.100128  0.4760818      1.478778  
1 1 1 -11 2  47 o 55.45500 0.9389977 30.26374       0.9651299 32.24269       1.753358  29.40348       1.156023  2.521111       1.877995  
1 1 1 -11 2  48 o 61.45483 1.138261  37.85238       1.398597  36.87059       1.949211  38.89421       2.007926  -1.641182      2.276523  
1 1 1 -11 2  49 f 44.82981 1.008599  19.97596       0.9004172 17.94173       1.212105  22.48073       1.345004  -5.050835      2.017198  
1 1 1 -11 2  50 o 26.92766 1.069359  7.153324       0.5705633 8.647479       0.8687399 6.019938       0.7566250 4.866905       2.138718  
1 1 1 -11 2  51 o 38.58836 0.8682352 15.33261       0.6422079 16.59211       0.8207468 13.34383       1.031343  4.227894       1.736470  
1 1 1 -11 2  52 o 27.36729 0.7636990 7.502771       0.4179689 7.618434       0.5958576 7.390733       0.5864493 0.4151669      1.527398  
1 1 1 -11 2  53 o 32.24277 0.7454232 10.41166       0.4803886 9.903152       0.6717582 10.94389       0.6872506 -1.612429      1.490846  
1 1 1 -11 2  54 o 53.90643 0.7888807 29.05736       0.8493013 30.46548       1.242373  27.82199       1.163672  2.443459       1.577761  
1 1 1 -11 2  55 o 16.84548 1.105788  2.844013       0.3664661 2.196688       0.5005147 3.592041       0.5380403 -4.135665      2.211576  
1 1 1 -11 2  56 o 39.96123 0.7620562 15.95928       0.6080371 14.83714       0.8348871 17.22671       0.8872924 -2.983681      1.524112  
1 1 1 -11 2  57 o 42.35988 0.7856129 17.98239       0.6651791 18.45365       0.9610136 17.54895       0.9216323 1.062450       1.571226  
1 1 1 -11 2  58 o 30.95693 1.138607  9.554154       0.6997449 11.36063       1.042047  8.070596       0.9443309 5.294153       2.277215  
1 1 1 -11 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 2  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 3  1  o 337.2905 3.503165  1138.300       23.62824  1128.854       33.08265  1148.136       33.75835  -2.853363      7.006330  
1 1 1 -11 3  2  o 370.5107 3.844632  1373.757       28.48598  1386.500       40.67376  1361.490       39.90768  3.369019       7.689264  
1 1 1 -11 3  3  o 219.8328 2.297184  483.1887       10.09606  475.8043       14.04669  491.0803       14.52109  -3.472214      4.594368  
1 1 1 -11 3  4  o 452.6491 4.717806  2006.094       41.91901  1831.764       53.48154  2283.803       67.50146  -49.79764      9.435613  
1 1 1 -11 3  5  o 212.9097 2.224537  451.2733       9.433553  431.1489       12.67293  476.2823       14.12738  -10.59261      4.449074  
1 1 1 -11 3  6  o 248.9799 2.594044  620.1425       12.91712  621.6880       18.32333  618.6155       18.21232  0.6164093      5.188088  
1 1 1 -11 3  7  o 180.5188 1.893977  324.9262       6.819873  312.9055       9.250862  339.2370       10.09367  -7.290009      3.787953  
1 1 1 -11 3  8  o 191.1401 2.829353  365.4606       10.81458  368.7977       15.44707  362.2524       15.14564  1.710419       5.658706  
1 1 1 -11 3  9  f 408.4740 4.895919  1670.330       39.98613  1647.413       55.76660  1694.580       57.36512  -5.756836      9.791839  
1 1 1 -11 3  10 o 470.7113 4.905838  2219.000       46.18417  2215.361       65.43329  2222.613       65.19592  -0.7729187     9.811675  
1 1 1 -11 3  11 o 446.8990 4.640570  1998.513       41.45154  2038.535       59.89632  1961.725       57.42443  8.567657       9.281139  
1 1 1 -11 3  12 o 317.1664 3.300946  1006.681       20.93896  1006.514       29.58647  1006.849       29.63791  -0.5245972E-01 6.601892  
1 1 1 -11 3  13 o 184.0591 1.931793  338.2589       7.100437  328.5336       9.725375  349.3604       10.39068  -5.654449      3.863585  
1 1 1 -11 3  14 o 192.4420 2.436751  375.7590       9.104126  394.5891       11.72540  347.1740       14.44674  12.33664       4.873502  
1 1 1 -11 3  15 o 74.98489 1.216093  56.21811       1.823288  55.58740       2.544014  56.88423       2.614465  -0.8644791     2.432186  
1 1 1 -11 3  16 o 138.6165 2.086631  190.7689       5.748893  204.7474       8.733680  180.0815       7.636634  8.890305       4.173261  
1 1 1 -11 3  17 o 252.0890 3.719795  636.2583       18.75348  640.1150       26.68006  632.4920       26.36560  1.508148       7.439590  
1 1 1 -11 3  18 o 133.2341 2.010918  176.6333       5.334830  168.0928       7.152787  187.3401       8.008742  -7.216949      4.021837  
1 1 1 -11 3  19 o 222.1680 2.844163  494.6901       11.93674  492.0317       20.56901  496.0400       14.65739  -0.9678497     5.688326  
1 1 1 -11 3  20 o 455.8856 5.104416  2089.581       46.26713  2041.012       68.83639  2129.603       62.48672  -9.859222      10.20883  
1 1 1 -11 3  21 o 105.0687 1.156200  107.4576       2.380588  96.68820       3.022590  125.0521       3.863411  -13.49303      2.312399  
1 1 1 -11 3  22 o 359.9557 3.742234  1298.429       26.94077  1297.363       38.08739  1299.497       38.11261  -0.2959595     7.484468  
1 1 1 -11 3  23 o 175.6638 1.850387  308.4445       6.495439  315.9540       9.420685  301.6396       8.967907  4.069397       3.700773  
1 1 1 -11 3  24 f 143.1962 1.522632  205.1324       4.360527  204.1195       6.133890  206.1672       6.200075  -0.7143250     3.045264  
1 1 1 -11 3  25 o 222.5654 2.328969  495.5187       10.35948  506.3197       14.99496  485.6560       14.32876  4.630295       4.657938  
1 1 1 -11 3  26 o 355.9468 3.705049  1269.647       26.35235  1300.349       38.24736  1241.899       36.35992  8.154053       7.410098  
1 1 1 -11 3  27 o 86.83575 0.9733285 75.41374       1.690299  74.83311       2.375072  76.00964       2.406118  -0.6772079     1.946657  
1 1 1 -11 3  28 o 125.4146 1.349420  157.3160       3.384042  159.1209       4.844884  155.5965       4.728745  1.403801       2.698839  
1 1 1 -11 3  29 o 229.4566 2.401826  526.9913       11.01748  518.5699       15.31238  536.0309       15.86443  -3.793137      4.803653  
1 1 1 -11 3  30 o 135.5829 1.451442  183.1951       3.922790  192.5830       5.839606  175.4751       5.295538  6.301651       2.902885  
1 1 1 -11 3  31 o 224.9265 2.355953  506.6322       10.59669  501.6965       14.83061  511.7803       15.14633  -2.234024      4.711905  
1 1 1 -11 3  32 o 104.9536 1.154651  109.4989       2.411613  116.9579       3.635875  103.6395       3.222493  6.339706       2.309301  
1 1 1 -11 3  33 f 94.63831 1.057894  89.56846       2.001889  88.29366       2.794998  90.91132       2.868634  -1.382050      2.115788  
1 1 1 -11 3  34 f 136.1157 1.459977  185.4275       3.974506  185.2303       5.614064  185.6257       5.627562  -0.1450043     2.919953  
1 1 1 -11 3  35 o 170.5419 1.806092  291.0320       6.156125  285.1820       8.520256  297.4216       8.904607  -3.577469      3.612183  
1 1 1 -11 3  36 o 32.24607 0.6460068 10.21865       0.4129540 12.12118       0.6332597 8.811022       0.5447038 5.131645       1.292014  
1 1 1 -11 3  37 o 45.72958 0.6759418 20.63678       0.6137074 23.37263       0.9393286 18.59917       0.8106470 5.217339       1.351884  
1 1 1 -11 3  38 o 15.95602 0.8541678 2.547441       0.2703885 2.135067       0.3746453 2.995753       0.3906295 -2.696718      1.708336  
1 1 1 -11 3  39 o 52.81070 0.7157596 27.60061       0.7512024 30.61587       1.143839  25.31380       0.9961324 5.016705       1.431519  
1 1 1 -11 3  40 o 75.82368 0.8994223 57.53633       1.363941  57.61144       1.933041  57.46185       1.924792  0.9839630E-01  1.798845  
1 1 1 -11 3  41 o 57.88112 0.7539632 33.18398       0.8673317 36.54868       1.320088  30.62821       1.150508  5.109394       1.507926  
1 1 1 -11 3  42 o 90.79681 1.034107  82.23384       1.872532  78.57341       2.534958  86.62989       2.778022  -4.425278      2.068214  
1 1 1 -11 3  43 o 94.67107 1.072638  89.76405       2.030926  89.30408       2.862852  90.23005       2.881567  -0.4880905     2.145276  
1 1 1 -11 3  44 o 35.76359 1.380936  0.000000       0.000000  ?              ?         12.80865       0.9877449 ?              ?         
1 1 1 -11 3  45 o 130.3739 2.008489  171.0626       5.236837  171.8592       7.449431  170.2844       7.363330  0.5941620      4.016979  
1 1 1 -11 3  46 o 65.34025 1.160334  42.59599       1.512009  40.15840       2.045955  45.52940       2.244403  -4.094700      2.320668  
1 1 1 -11 3  47 o 59.97926 0.9596564 35.93987       1.089587  35.72992       1.337997  36.35319       1.877350  -0.4837418     1.919313  
1 1 1 -11 3  48 o 15.45461 1.006888  2.408801       0.3077001 1.981599       0.4328847 2.845078       0.4374587 -2.793228      2.013777  
1 1 1 -11 3  49 o 72.21411 0.8892882 52.25198       1.284361  52.25858       1.821690  52.24546       1.811080  0.8247375E-02  1.778576  
1 1 1 -11 3  50 o 40.03308 0.7105255 16.04816       0.5688414 16.17107       0.8108829 15.92906       0.7981938 0.3013496      1.421051  
1 1 1 -11 3  51 o 43.23015 0.7194715 18.66378       0.6210356 19.67277       0.9107433 17.78684       0.8490521 2.176487       1.438943  
1 1 1 -11 3  52 o 70.88956 0.8901742 50.27355       1.260132  52.36600       1.845638  48.44635       1.724695  2.751831       1.780348  
1 1 1 -11 3  53 o 39.96588 0.7454140 15.81964       0.5923296 17.96831       0.8967029 14.15628       0.7889628 4.758610       1.490828  
1 1 1 -11 3  54 o 31.87607 0.7694963 10.18501       0.4904675 10.23082       0.6875024 10.13753       0.6999159 0.1476326      1.538993  
1 1 1 -11 3  55 o 46.29071 0.7690281 21.36955       0.7101166 19.82318       0.9639376 23.20472       1.050098  -3.642826      1.538056  
1 1 1 -11 3  56 o 29.28887 0.8174517 8.604770       0.4787886 8.548065       0.6809667 8.660206       0.6733167 -0.1924286     1.634903  
1 1 1 -11 3  57 o 43.16606 0.7903329 18.67163       0.6818363 17.73596       0.9487767 19.67097       0.9805313 -2.236946      1.580666  
1 1 1 -11 3  58 f 49.10663 1.561605  24.26372       1.533703  24.26372       1.533703  ?              ?         ?              ?         
1 1 1 -11 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 4  1  o 311.2386 4.574822  963.4061       28.30948  1028.106       42.90481  913.5193       37.67450  18.35522       9.149644  
1 1 1 -11 4  2  o 93.45304 1.440804  86.72713       2.676841  82.06213       3.560175  92.79446       4.060159  -5.740524      2.881607  
1 1 1 -11 4  3  o 313.1312 4.600304  980.5877       28.77982  1006.372       41.86060  957.4753       39.63238  7.785736       9.200608  
1 1 1 -11 4  4  o 279.4570 4.118603  778.8301       22.94156  815.8322       34.15701  748.4192       30.96577  12.03342       8.237206  
1 1 1 -11 4  5  o 287.6581 4.229707  826.7770       24.29391  854.6655       35.60199  802.4753       33.23372  9.050171       8.459414  
1 1 1 -11 4  6  o 580.3784 6.036534  3353.010       69.64983  3181.049       92.65560  3576.420       105.6104  -33.89404      12.07307  
1 1 1 -11 4  7  f 586.2717 6.091437  3431.267       71.18719  3605.890       105.9799  3287.706       96.09258  27.00586       12.18287  
1 1 1 -11 4  8  o 683.4091 7.117177  4685.113       97.27603  4672.617       136.9720  4697.828       138.1740  -1.825684      14.23435  
1 1 1 -11 4  9  o 472.3405 4.908032  2234.374       46.36345  2246.625       65.91845  2222.380       65.22274  2.558777       9.816064  
1 1 1 -11 4  10 o 83.23499 0.9417612 68.40588       1.553121  75.58298       2.403488  63.26036       2.035084  7.401505       1.883522  
1 1 1 -11 4  11 o 131.4780 1.403220  171.0983       3.657996  160.1828       4.809523  186.0779       5.634171  -9.844864      2.806441  
1 1 1 -11 4  12 o 360.6562 3.745477  1301.929       27.01485  1311.220       38.46937  1292.889       37.94556  2.536407       7.490955  
1 1 1 -11 4  13 o 306.9353 3.194327  942.0782       19.59522  924.3313       27.11271  961.4852       28.35249  -6.041840      6.388653  
1 1 1 -11 4  14 o 598.9796 6.227378  3581.023       74.28618  3417.604       99.72530  3784.744       111.3457  -30.44379      12.45476  
1 1 1 -11 4  15 o 254.5551 2.872686  647.6486       14.45433  653.5453       22.25167  643.3442       19.01160  1.976013       5.745372  
1 1 1 -11 4  16 o 92.62324 1.029469  85.79582       1.906953  85.51585       2.681188  86.08244       2.712766  -0.3057556     2.058937  
1 1 1 -11 4  17 f 649.1273 7.411388  4122.083       91.89469  4617.626       158.7649  3872.426       112.6903  56.20740       14.82278  
1 1 1 -11 4  18 o 276.3466 3.523478  765.5554       18.39879  767.3035       22.59638  762.1166       31.69292  1.060303       7.046955  
1 1 1 -11 4  19 o 553.3049 7.483489  3083.011       81.15391  3086.435       104.8634  3077.899       128.1432  1.511353       14.96698  
1 1 1 -11 4  20 o 345.4517 5.087224  1195.896       35.10714  1166.335       48.28208  1229.060       51.13901  -9.010132      10.17445  
1 1 1 -11 4  21 o 325.7288 4.798214  1064.546       31.25796  1061.671       44.07769  1067.454       44.33430  -0.8814392     9.596428  
1 1 1 -11 4  22 o 230.9183 3.418456  534.2267       15.78759  535.3500       22.37381  533.1127       22.28052  0.4826050      6.836911  
1 1 1 -11 4  23 o 173.4898 2.249176  299.6917       7.299585  305.6823       12.90263  296.8717       8.852478  2.482269       4.498353  
1 1 1 -11 4  24 o 249.1940 3.165119  628.0446       15.12746  601.3076       24.98079  643.5266       19.00920  -8.605438      6.330237  
1 1 1 -11 4  25 o 207.9474 2.179311  432.8472       9.062976  435.7561       12.91066  430.0211       12.72532  1.375732       4.358622  
1 1 1 -11 4  26 o 134.3876 1.436344  180.6675       3.860256  179.3636       5.419885  182.0100       5.499438  -0.9836884     2.872688  
1 1 1 -11 4  27 f 134.6593 1.440654  181.3046       3.878040  178.1153       5.383808  184.7438       5.590800  -2.458893      2.881308  
1 1 1 -11 4  28 o 282.8680 2.950851  801.4828       16.68802  813.3075       23.98683  790.3907       23.23211  4.031982       5.901701  
1 1 1 -11 4  29 o 86.68721 0.9776496 74.59566       1.685197  80.29740       2.554522  70.20237       2.242337  5.819916       1.955299  
1 1 1 -11 4  30 o 220.0109 2.306244  484.5197       10.14391  477.1745       14.10883  492.3796       14.59483  -3.444763      4.612488  
1 1 1 -11 4  31 o 158.0727 1.677374  249.8410       5.298661  255.7017       7.680387  244.5181       7.319509  3.531143       3.354748  
1 1 1 -11 4  32 o 180.3931 1.903419  325.7864       6.867196  324.8121       9.684363  326.7717       9.739233  -0.5419617     3.806837  
1 1 1 -11 4  33 o 161.2761 1.712561  259.5530       5.509506  271.1484       8.152117  249.8036       7.475070  6.603134       3.425122  
1 1 1 -11 4  34 o 74.28879 0.8746859 55.17704       1.299148  54.15060       1.808765  56.27085       1.867172  -1.426277      1.749372  
1 1 1 -11 4  35 o 126.0298 1.362174  158.8804       3.431863  161.7382       4.945416  156.2258       4.766312  2.182999       2.724347  
1 1 1 -11 4  36 o 87.30365 0.9951488 76.04576       1.734040  73.10751       2.362353  79.47841       2.553379  -3.645103      1.990298  
1 1 1 -11 4  37 o 20.10205 0.7309859 4.040022       0.2937847 4.188983       0.4206927 3.898231       0.4104453 0.7230206      1.461972  
1 1 1 -11 4  38 o 173.8522 1.844342  302.6192       6.405888  310.9412       9.323117  295.1768       8.816668  4.509399       3.688684  
1 1 1 -11 4  39 o 173.1604 1.838083  300.7157       6.365055  298.4831       8.927984  303.0234       9.076960  -1.302368      3.676167  
1 1 1 -11 4  40 o 107.0456 1.459649  113.3108       2.890900  118.7967       5.249321  110.9226       3.463437  3.589790       2.919299  
1 1 1 -11 4  41 o 42.39500 0.9330720 17.96772       0.7906234 18.71890       1.143025  17.27865       1.094756  1.696754       1.866144  
1 1 1 -11 4  42 o 58.22298 1.069375  33.93130       1.244638  34.48528       1.793684  33.41685       1.728493  0.9143677      2.138750  
1 1 1 -11 4  43 o 52.62020 1.022231  27.48188       1.069619  30.01530       1.622380  25.53404       1.422575  4.248001       2.044462  
1 1 1 -11 4  44 o 16.23252 1.096969  2.649868       0.3395412 2.673700       0.4218899 2.606050       0.5720682 0.2171345      2.193937  
1 1 1 -11 4  45 o 44.72450 0.6963872 19.64730       0.6168323 22.91013       0.9562857 17.32249       0.8072053 6.240677       1.392774  
1 1 1 -11 4  46 o 46.86786 0.7095201 21.89345       0.6635486 20.58291       0.9020786 23.43858       0.9794936 -3.042717      1.419040  
1 1 1 -11 4  47 o 64.23049 0.8211834 41.10699       1.051742  38.75901       1.421655  43.94568       1.563172  -4.029270      1.642367  
1 1 1 -11 4  48 o 57.92707 0.7819129 33.58115       0.9053535 34.21872       1.307180  32.99335       1.255132  1.054329       1.563826  
1 1 1 -11 4  49 o 67.45744 0.8519807 45.28979       1.144676  42.43721       1.535639  48.85662       1.717162  -4.744003      1.703961  
1 1 1 -11 4  50 o 60.70448 0.8106563 36.85114       0.9830374 38.33517       1.433672  35.53430       1.350502  2.299976       1.621313  
1 1 1 -11 4  51 o 59.47099 0.8045530 35.14341       0.9520351 38.35228       1.438328  32.64135       1.270077  4.786545       1.609106  
1 1 1 -11 4  52 o 26.28453 0.7929475 6.872395       0.4147921 7.908759       0.6143062 6.003951       0.5623414 3.618456       1.585895  
1 1 1 -11 4  53 o 31.32088 0.7578608 9.834658       0.4745661 9.607781       0.6745024 10.05706       0.6678232 -0.7178955     1.515722  
1 1 1 -11 4  54 o 51.76180 0.7767470 26.80107       0.8032376 28.08289       1.169589  25.65680       1.105055  2.336582       1.553494  
1 1 1 -11 4  55 o 28.92984 0.7928514 8.390404       0.4582892 8.899380       0.6534845 7.897809       0.6428832 1.729809       1.585703  
1 1 1 -11 4  56 o 18.79111 1.014373  3.554194       0.3804432 3.320368       0.5411285 3.782736       0.5349802 -1.231302      2.028745  
1 1 1 -11 4  57 o 57.92295 0.8334174 33.63613       0.9649012 32.81712       1.336612  34.52746       1.394373  -1.467911      1.666835  
1 1 1 -11 4  58 o 18.17004 1.737182  3.327130       0.6312932 3.327130       0.6312932 ?              ?         ?              ?         
1 1 1 -11 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 5  1  o 266.4125 2.775183  709.9169       14.78302  701.3625       20.62694  718.9508       21.19742  -3.297150      5.550367  
1 1 1 -11 5  2  o 166.5095 1.752752  277.0203       5.831860  270.7977       8.047706  283.9015       8.462943  -3.933121      3.505504  
1 1 1 -11 5  3  f 25.32944 0.4877276 6.379931       0.2463393 5.789670       0.3350644 7.074296       0.3634126 -2.535803      0.9754553 
1 1 1 -11 5  4  f 85.41124 0.9588742 72.88976       1.636817  71.31336       2.264117  74.61568       2.369066  -1.932953      1.917748  
1 1 1 -11 5  5  o 171.1372 1.801352  291.1181       6.133359  310.1035       9.258054  276.2681       8.187948  9.881012       3.602704  
1 1 1 -11 5  6  o 229.1602 2.391987  525.3395       10.96293  524.6351       15.48065  526.0483       15.52730  -0.3080597     4.783974  
1 1 1 -11 5  7  o 464.1286 4.824876  2155.676       44.75774  2110.344       61.95522  2205.159       64.72990  -10.18277      9.649753  
1 1 1 -11 5  8  o 207.6908 2.174809  431.4142       9.032123  435.4141       12.91898  427.5897       12.63253  1.882172       4.349617  
1 1 1 -11 5  9  o 236.0841 2.466322  557.5928       11.64518  557.8682       16.48084  557.3182       16.45672  0.1163330      4.932643  
1 1 1 -11 5  10 o 236.2110 2.465185  557.7325       11.63787  546.4940       16.10033  570.0297       16.84153  -4.977295      4.930369  
1 1 1 -11 5  11 o 230.3114 2.404734  530.2870       11.07014  520.4537       15.34136  540.9692       15.98987  -4.449768      4.809469  
1 1 1 -11 5  12 o 70.63504 0.8154248 49.89075       1.151894  49.33690       1.619668  50.45758       1.638546  -0.7932434     1.630850  
1 1 1 -11 5  13 o 201.1888 2.111245  404.9162       8.495174  404.7933       12.00889  405.0393       12.01910  -0.6108093E-01 4.222490  
1 1 1 -11 5  14 o 191.1782 2.004632  364.3008       7.641294  349.8853       10.33325  381.6963       11.35118  -8.313507      4.009264  
1 1 1 -11 5  15 o 202.3901 2.119012  409.6624       8.575182  404.5456       11.96709  415.0623       12.29379  -2.595840      4.238023  
1 1 1 -11 5  16 o 457.1377 4.745638  2092.539       43.35345  2049.601       59.89764  2139.782       62.82944  -9.814545      9.491277  
1 1 1 -11 5  17 f 198.9563 2.084263  395.9061       8.291464  391.0723       11.57157  401.0067       11.88657  -2.494095      4.168527  
1 1 1 -11 5  18 o 121.6278 1.314321  147.9454       3.196839  149.2050       4.560127  146.7280       4.482889  1.017845       2.628643  
1 1 1 -11 5  19 o 295.2977 3.073478  873.0931       18.15182  873.1133       25.67362  873.0730       25.66747  0.6713867E-02  6.146957  
1 1 1 -11 5  20 o 203.4424 2.131673  412.8841       8.650590  397.7142       11.73531  430.9363       12.80170  -8.153442      4.263345  
1 1 1 -11 5  21 o 72.16896 0.8364088 52.08891       1.207249  51.97248       1.704075  52.20623       1.710560  -0.1619110     1.672818  
1 1 1 -11 5  22 o 146.0601 1.553985  213.3023       4.537243  217.1098       6.541131  209.7716       6.298980  2.509735       3.107970  
1 1 1 -11 5  23 o 227.5950 2.899044  522.9211       12.61509  533.1480       15.76826  504.7360       21.02658  6.345947       5.798089  
1 1 1 -11 5  24 o 178.3008 2.659853  318.2340       9.480820  313.0236       13.17340  323.8327       13.65540  -3.021179      5.319705  
1 1 1 -11 5  25 o 267.5970 3.956958  717.2811       21.14312  741.4319       30.97277  696.2065       28.93310  8.385132       7.913916  
1 1 1 -11 5  26 o 174.0396 2.600503  303.3009       9.050582  300.5920       12.67505  306.1189       12.92760  -1.582703      5.201007  
1 1 1 -11 5  27 o 167.7912 2.512386  281.4138       8.417602  290.9133       12.32933  273.1199       11.52038  5.285751       5.024772  
1 1 1 -11 5  28 o 232.5066 2.984029  541.2593       13.05843  543.3865       22.71754  540.2096       15.95836  0.5075378      5.968058  
1 1 1 -11 5  29 o 60.26435 0.7621282 36.32181       0.9185429 36.15806       1.291873  36.48924       1.306279  -0.2746696     1.524256  
1 1 1 -11 5  30 o 265.2448 2.769742  704.2553       14.67836  687.7665       20.22247  722.6155       21.33920  -6.538147      5.539484  
1 1 1 -11 5  31 o 142.5862 1.524532  203.4420       4.347342  202.3299       6.112739  204.5802       6.184023  -0.7879333     3.049064  
1 1 1 -11 5  32 o 76.94904 0.8978649 58.87975       1.376164  55.59267       1.847477  62.97703       2.062629  -4.795959      1.795730  
1 1 1 -11 5  33 o 107.4520 1.179897  115.5187       2.535637  115.2376       3.580557  115.8016       3.591332  -0.2622910     2.359794  
1 1 1 -11 5  34 o 83.04417 0.9577419 68.70747       1.586321  65.36046       2.148383  72.71982       2.352244  -4.427963      1.915484  
1 1 1 -11 5  35 o 101.7185 1.127327  103.4869       2.292712  101.8779       3.195247  105.1944       3.291672  -1.628403      2.254653  
1 1 1 -11 5  36 o 107.5704 1.185161  115.7753       2.549084  117.1882       3.655480  114.4379       3.556457  1.275986       2.370322  
1 1 1 -11 5  37 o 85.93698 1.221488  70.85350       1.882749  80.87879       3.675452  67.28702       2.192208  7.865639       2.442977  
1 1 1 -11 5  38 f 65.63673 1.136551  43.09087       1.491256  42.02467       2.069585  44.24225       2.150660  -1.686676      2.273103  
1 1 1 -11 5  39 o 62.10660 1.106775  37.97927       1.359424  42.85385       2.124520  34.59972       1.768977  6.632149       2.213551  
1 1 1 -11 5  40 o 152.8513 2.114277  234.3889       6.323854  233.2240       8.132937  236.1702       10.05690  -0.8186340     4.228554  
1 1 1 -11 5  41 o 87.95692 1.088362  76.92834       1.880635  74.67424       2.424612  80.33244       2.979596  -3.190193      2.176723  
1 1 1 -11 5  42 o 57.98327 0.7642495 33.58394       0.8851293 34.83349       1.292355  32.47992       1.214768  2.026768       1.528499  
1 1 1 -11 5  43 o 36.61428 0.9242227 13.29186       0.6731360 11.63764       0.9055347 15.33490       1.006341  -5.044163      1.848445  
1 1 1 -11 5  44 o 88.48326 1.018522  78.39131       1.802022  77.20594       2.515508  79.64087       2.582710  -1.372185      2.037044  
1 1 1 -11 5  45 f 45.40614 0.6989536 20.63478       0.6347282 20.51586       0.8975399 20.75375       0.8977425 -0.2619591     1.397907  
1 1 1 -11 5  46 o 76.09869 0.9130748 57.57243       1.382344  62.12521       2.089436  54.02853       1.843448  5.304062       1.826150  
1 1 1 -11 5  47 f 53.70013 0.7553429 28.87243       0.8111792 28.81141       1.153607  28.93211       1.140860  -0.1131020     1.510686  
1 1 1 -11 5  48 o 56.39394 0.7705492 31.59492       0.8651740 29.23488       1.158349  34.57270       1.301145  -4.723331      1.541098  
1 1 1 -11 5  49 o 23.73710 0.7820994 5.655633       0.3705136 5.343986       0.5308119 5.951748       0.5174156 -1.281195      1.564199  
1 1 1 -11 5  50 o 66.00389 0.8497010 43.22410       1.114290  47.39781       1.698896  40.07304       1.476162  5.528893       1.699402  
1 1 1 -11 5  51 o 73.49471 0.9107769 54.03676       1.336901  51.92506       1.832719  56.43837       1.954476  -3.057953      1.821554  
1 1 1 -11 5  52 o 48.73114 0.7591491 23.65503       0.7374331 25.55889       1.098859  22.09505       0.9946817 3.544186       1.518298  
1 1 1 -11 5  53 o 12.57261 1.312874  1.590706       0.3300840 1.618496       0.4712226 1.563934       0.4625176 0.2154455      2.625748  
1 1 1 -11 5  54 o 23.56022 0.8434662 5.548487       0.3963532 6.163240       0.5773129 5.000370       0.5451269 2.464029       1.686932  
1 1 1 -11 5  55 o 20.20811 0.9560567 4.109069       0.3821449 3.353163       0.5312180 4.919809       0.5501480 -3.873632      1.912113  
1 1 1 -11 5  56 o 46.47724 0.7768835 21.65821       0.7220568 21.27059       1.011870  22.06037       1.030675  -0.8471756     1.553767  
1 1 1 -11 5  57 o 59.87259 0.8461997 35.58594       1.007103  39.60833       1.530958  32.51749       1.337152  5.892666       1.692399  
1 1 1 -11 5  58 o 32.71215 1.707648  10.78301       1.117217  10.78301       1.117217  ?              ?         ?              ?         
1 1 1 -11 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 5  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 6  1  o 240.4178 2.518918  577.8268       12.10375  566.5352       16.75434  590.1526       17.50489  -4.906693      5.037835  
1 1 1 -11 6  2  o 264.6236 2.757011  700.6478       14.59136  701.7170       20.66578  699.5848       20.60496  0.4024658      5.514022  
1 1 1 -11 6  3  o 391.5377 4.081625  1529.561       31.84739  1594.832       47.45843  1476.088       42.95549  15.11633       8.163251  
1 1 1 -11 6  4  o 73.50864 1.050123  48.70121       1.460765  37.98462       1.754464  72.91721       2.637348  -23.75848      2.100245  
1 1 1 -11 6  5  o 152.0302 1.613050  230.4091       4.891195  241.0819       7.246349  221.4768       6.629170  6.445221       3.226100  
1 1 1 -11 6  6  o 477.0504 4.957847  2279.536       47.29717  2260.856       66.27769  2298.920       67.51610  -3.973602      9.915694  
1 1 1 -11 6  7  o 145.8796 1.549396  212.0905       4.508240  203.2024       6.109737  222.7137       6.679527  -6.685135      3.098792  
1 1 1 -11 6  8  o 251.3264 2.621523  631.4795       13.16752  644.2747       19.05910  619.7951       18.21307  4.864197       5.243046  
1 1 1 -11 6  9  o 337.4750 3.505523  1138.783       23.63879  1113.983       32.60736  1166.255       34.31886  -7.728333      7.011045  
1 1 1 -11 6  10 o 594.9041 8.191043  2836.629       69.71673  4697.494       199.9728  2579.159       74.38354  175.1773       16.38209  
1 1 1 -11 6  11 o 308.7363 3.221937  952.0674       19.85167  981.8721       29.21901  926.5148       27.05473  8.944946       6.443875  
1 1 1 -11 6  12 o 338.4871 3.516306  1146.258       23.79231  1126.651       33.02137  1167.426       34.31046  -6.009460      7.032612  
1 1 1 -11 6  13 o 128.7985 1.381491  165.4995       3.550569  171.8461       5.235884  160.0963       4.831039  4.559570       2.762981  
1 1 1 -11 6  14 o 200.8705 2.104130  403.4146       8.448564  410.7706       12.18993  396.6148       11.72007  3.520248       4.208261  
1 1 1 -11 6  15 o 172.0006 1.811229  294.0586       6.197036  313.3922       9.364121  278.9932       8.266093  9.992371       3.622458  
1 1 1 -11 6  16 o 463.3499 4.811776  2149.912       44.54285  2099.635       61.32269  2206.066       64.80791  -11.41827      9.623551  
1 1 1 -11 6  17 o 34.41302 0.5667134 11.73202       0.3880784 13.00539       0.5856351 10.73508       0.5181853 3.298458       1.133427  
1 1 1 -11 6  18 o 486.9800 5.064809  2376.638       49.27821  2317.982       67.86342  2442.063       71.67229  -12.64874      10.12962  
1 1 1 -11 6  19 o 339.0454 3.525484  1149.640       23.87085  1117.949       32.71653  1185.716       34.90676  -9.954346      7.050967  
1 1 1 -11 6  20 o 353.8182 3.681130  1254.525       26.04894  1256.132       36.89337  1252.927       36.78439  0.4507446      7.362260  
1 1 1 -11 6  21 o 244.8246 2.557339  599.9817       12.52057  605.4478       17.86975  594.7105       17.54815  2.187851       5.114679  
1 1 1 -11 6  22 o 385.5743 4.011793  1490.619       30.92385  1513.612       44.50664  1469.158       42.99823  5.723358       8.023585  
1 1 1 -11 6  23 o 27.68517 0.6558636 7.435965       0.3573021 9.050924       0.5707079 6.394910       0.4582157 4.796255       1.311727  
1 1 1 -11 6  24 o 199.7223 2.095599  399.2769       8.370520  397.5799       11.78444  401.0048       11.89170  -0.8555908     4.191198  
1 1 1 -11 6  25 f 370.0469 3.851364  1373.852       28.50370  1373.023       40.29001  1374.682       40.33065  -0.2229004     7.702729  
1 1 1 -11 6  26 o 168.1754 1.777584  282.9695       5.977895  286.1424       8.549765  279.9348       8.361421  1.842941       3.555168  
1 1 1 -11 6  27 f 402.8111 5.150098  1632.715       39.08524  1631.968       47.84198  1634.215       67.77550  0.5958252      10.30020  
1 1 1 -11 6  28 o 156.5735 2.054194  241.9289       5.936318  236.5624       7.095870  254.4435       10.83600  -5.640991      4.108388  
1 1 1 -11 6  29 o 388.7590 5.753760  1523.840       44.70416  1493.596       61.83313  1556.961       64.70724  -7.988556      11.50752  
1 1 1 -11 6  30 o 246.5591 3.656338  610.1822       18.02601  603.0364       25.17435  617.7011       25.82329  -2.948761      7.312676  
1 1 1 -11 6  31 o 65.36841 1.141329  42.10680       1.476969  47.20510       2.296812  38.51211       1.928603  6.644474       2.282658  
1 1 1 -11 6  32 o 197.5379 2.946532  391.3880       11.64074  389.6661       16.39250  393.1397       16.53340  -0.8740692     5.893064  
1 1 1 -11 6  33 o 147.3459 2.223828  0.000000       0.000000  ?              ?         217.3291       6.553435  ?              ?         
1 1 1 -11 6  34 o 131.1681 1.995988  172.3604       5.236140  171.6100       7.383148  173.1197       7.427087  -0.5740814     3.991977  
1 1 1 -11 6  35 o 50.06402 0.9682975 25.07138       0.9694391 24.65973       1.359952  25.49667       1.382309  -0.8354797     1.936595  
1 1 1 -11 6  36 f 127.8969 1.956478  163.7013       4.998496  158.7863       6.867278  169.2393       7.289479  -4.068077      3.912955  
1 1 1 -11 6  37 o 87.47212 1.227258  75.25074       1.983532  73.17733       2.370210  80.09640       3.623430  -3.916176      2.454515  
1 1 1 -11 6  38 o 58.48747 0.7577028 34.22494       0.8863152 34.04100       1.252530  34.40941       1.254350  -0.3149033     1.515406  
1 1 1 -11 6  39 o 132.1213 1.427733  174.8582       3.771917  172.8633       5.271080  176.9518       5.399842  -1.541016      2.855465  
1 1 1 -11 6  40 f 92.78738 1.051689  85.77018       1.944388  81.51102       2.616556  91.02255       2.905673  -5.113457      2.103378  
1 1 1 -11 6  41 o 80.00572 0.9362153 64.07993       1.498028  64.17632       2.125203  63.98473       2.111922  0.1191711      1.872431  
1 1 1 -11 6  42 o 69.91460 0.8545205 48.79293       1.192674  46.78575       1.627579  51.12076       1.752761  -3.095055      1.709041  
1 1 1 -11 6  43 o 80.10812 0.9438073 64.25896       1.512128  64.05030       2.137717  64.46791       2.139227  -0.2605820     1.887615  
1 1 1 -11 6  44 o 71.55106 0.8760586 50.94654       1.248738  54.72362       1.869942  47.90640       1.677633  4.754364       1.752117  
1 1 1 -11 6  45 o 31.26731 0.6813830 9.780272       0.4259499 9.951887       0.6123161 9.619355       0.5929203 0.5308876      1.362766  
1 1 1 -11 6  46 f 33.91656 0.6917039 11.50915       0.4686480 11.61539       0.6809346 11.41353       0.6459826 0.2958794      1.383408  
1 1 1 -11 6  47 o 83.80559 0.9865872 69.85052       1.644339  75.31109       2.490501  65.63057       2.189384  5.751984       1.973174  
1 1 1 -11 6  48 o 42.36707 0.7158434 17.97221       0.6065564 18.01054       0.8602718 17.93432       0.8553500 0.8964539E-01  1.431687  
1 1 1 -11 6  49 o 10.86797 1.434837  1.237465       0.2999327 0.8305944      0.4227759 1.649743       0.4255757 -3.902356      2.869673  
1 1 1 -11 6  50 o 44.89592 0.7337905 20.18875       0.6588550 20.22504       0.9365354 20.15318       0.9270602 0.7928848E-01  1.467581  
1 1 1 -11 6  51 o 40.34725 0.7236113 16.12854       0.5806643 18.20823       0.8778766 14.51097       0.7742226 4.573025       1.447223  
1 1 1 -11 6  52 o 23.86865 0.8259805 5.698540       0.3937415 6.137760       0.5708973 5.300079       0.5437624 1.751896       1.651961  
1 1 1 -11 6  53 o 9.507933 1.504692  0.9208258      0.3224247 1.693148       0.4585306 0.1654700      0.4534661 6.930507       3.009384  
1 1 1 -11 6  54 o 35.98128 0.8352672 12.64300       0.5856191 14.46392       0.9656810 11.58381       0.7365019 3.974407       1.670534  
1 1 1 -11 6  55 o 30.71087 0.8079606 9.475909       0.4948561 9.188111       0.7210530 9.732156       0.6803809 -0.8907738     1.615921  
1 1 1 -11 6  56 o 10.37746 1.678056  1.027099       0.3631219 1.793897       0.5709508 0.5062648      0.4705521 5.882096       3.356113  
1 1 1 -11 6  57 o 31.84003 0.8569603 10.20504       0.5427878 8.955169       0.7649512 11.47250       0.7703128 -3.952280      1.713921  
1 1 1 -11 6  58 o 30.57359 2.876683  9.557753       1.759010  9.557753       1.759010  ?              ?         ?              ?         
1 1 1 -11 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 6  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 7  1  o 303.8107 4.475080  924.2471       27.18300  936.8674       39.03013  912.3589       37.88075  4.018158       8.950161  
1 1 1 -11 7  2  o 237.4180 2.485986  561.7722       11.76583  589.9286       17.50719  538.5801       15.88905  10.80217       4.971971  
1 1 1 -11 7  3  o 320.5002 3.334078  1025.807       21.32948  993.2614       29.09535  1063.618       31.36076  -10.95425      6.668156  
1 1 1 -11 7  4  o 485.7226 5.106777  2361.933       49.54332  2321.694       68.08389  2407.223       72.22941  -8.743530      10.21355  
1 1 1 -11 7  5  o 110.0088 1.189171  118.7122       2.576073  108.7169       3.312395  134.0104       4.097938  -11.49345      2.378342  
1 1 1 -11 7  6  o 487.8156 5.063835  2365.609       49.06779  2541.814       74.79330  2232.468       65.01443  31.56439       10.12767  
1 1 1 -11 7  7  o 508.7554 5.290661  2557.119       53.16496  2824.077       83.39343  2374.326       69.00650  43.97867       10.58132  
1 1 1 -11 7  8  o 260.9220 2.719174  681.0508       14.18630  673.8555       19.80249  688.6369       20.33293  -2.828247      5.438348  
1 1 1 -11 7  9  f 216.7936 2.266505  469.1018       9.807109  486.5941       14.43167  454.0930       13.36802  7.488510       4.533010  
1 1 1 -11 7  10 o 83.88617 0.9424853 70.36398       1.580864  69.91187       2.209021  70.83860       2.263326  -0.5522079     1.884971  
1 1 1 -11 7  11 o 562.2480 5.850144  3161.359       65.61287  3302.753       97.08698  3042.491       89.01839  22.98969       11.70029  
1 1 1 -11 7  12 o 96.14915 1.061658  91.71453       2.028198  98.72607       3.087669  86.39314       2.689904  6.411972       2.123317  
1 1 1 -11 7  13 o 321.4435 3.341739  1034.019       21.47575  1019.284       29.89223  1049.737       30.87414  -4.724884      6.683478  
1 1 1 -11 7  14 o 451.0577 4.685145  2039.264       42.26166  2054.553       60.24986  2024.454       59.29557  3.319061       9.370290  
1 1 1 -11 7  15 o 273.4935 3.089125  744.1353       16.57434  772.4903       26.34308  725.5558       21.32391  8.515442       6.178249  
1 1 1 -11 7  16 o 256.6632 2.676708  657.0639       13.69837  687.5605       20.34257  631.7626       18.52902  10.84785       5.353416  
1 1 1 -11 7  17 o 181.7555 1.911947  330.5034       6.949822  329.1318       9.774216  331.9058       9.883766  -0.7620850     3.823895  
1 1 1 -11 7  18 o 277.0563 2.889880  766.8323       15.98197  794.8358       23.49426  742.7128       21.80411  9.380981       5.779760  
1 1 1 -11 7  19 o 374.6078 3.894885  1405.969       29.16805  1383.114       40.53048  1430.521       42.00895  -6.295013      7.789769  
1 1 1 -11 7  20 o 42.41919 0.6124375 17.59776       0.5132668 20.69220       0.8059217 15.48619       0.6657401 6.135853       1.224875  
1 1 1 -11 7  21 o 57.75855 0.7149645 32.93369       0.8188074 36.61279       1.262941  30.26583       1.075459  5.493462       1.429929  
1 1 1 -11 7  22 o 20.02138 0.6091422 4.014918       0.2435433 3.849878       0.3492730 4.171097       0.3397682 -0.8022346     1.218284  
1 1 1 -11 7  23 o 54.56747 0.7048652 29.08064       0.7573652 33.77738       1.207346  26.03333       0.9725026 7.094505       1.409730  
1 1 1 -11 7  24 o 109.6627 1.194441  120.2512       2.618978  122.1560       3.758127  118.4527       3.651751  1.687492       2.388881  
1 1 1 -11 7  25 o 357.7848 3.724344  1281.325       26.60101  1241.864       36.32446  1326.964       39.06374  -11.81223      7.448689  
1 1 1 -11 7  26 o 72.19176 0.8489465 52.02291       1.224164  54.09829       1.787441  50.18952       1.680008  2.706444       1.697893  
1 1 1 -11 7  27 o 45.75620 0.6486443 20.72809       0.5903912 18.90188       0.7869419 23.07943       0.8929473 -4.564381      1.297289  
1 1 1 -11 7  28 o 66.93211 0.8077565 44.45802       1.075760  48.20242       1.624808  41.53555       1.435439  4.978851       1.615513  
1 1 1 -11 7  29 o 294.0923 3.068087  867.1456       18.04335  859.0416       25.25906  875.5895       25.78333  -2.796692      6.136173  
1 1 1 -11 7  30 o 181.1644 2.333345  331.3647       8.080582  319.7764       13.47332  337.8745       10.09833  -5.081024      4.666689  
1 1 1 -11 7  31 o 164.8374 2.468655  272.1569       8.135552  276.4191       11.69662  268.1625       11.32328  2.493408       4.937309  
1 1 1 -11 7  32 o 61.43217 1.547355  37.75672       1.901148  37.75672       1.901148  ?              ?         ?              ?         
1 1 1 -11 7  33 f 92.66208 2.080745  85.94547       3.856122  85.94547       3.856122  ?              ?         ?              ?         
1 1 1 -11 7  34 o 59.09468 1.535688  34.94201       1.815020  34.94201       1.815020  ?              ?         ?              ?         
1 1 1 -11 7  35 o 117.5322 1.819009  138.3979       4.275532  139.4671       6.091147  137.3595       6.002851  0.8932037      3.638019  
1 1 1 -11 7  36 f 40.42407 0.9468730 16.33209       0.7649450 15.47790       1.063420  17.24798       1.101157  -2.188541      1.893746  
1 1 1 -11 7  37 o 86.15125 1.405882  73.89809       2.412116  69.82404       3.235508  78.99552       3.619131  -5.307487      2.811764  
1 1 1 -11 7  38 o 76.65741 1.105675  59.55313       1.622271  56.26870       2.681754  61.44869       2.037314  -3.401817      2.211349  
1 1 1 -11 7  39 o 40.53056 0.6657558 16.04579       0.5329036 19.10703       0.8375453 13.96350       0.6907657 6.341755       1.331512  
1 1 1 -11 7  40 o 114.4858 1.257535  131.1607       2.876580  127.8365       3.963763  134.8594       4.181131  -3.055275      2.515070  
1 1 1 -11 7  41 o 29.93481 0.6702511 8.747587       0.3958616 7.124835       0.5183305 11.01889       0.6132232 -6.501297      1.340502  
1 1 1 -11 7  42 f 50.71655 1.004309  25.75825       1.018682  25.86599       1.446119  25.65213       1.435209  0.2102852      2.008617  
1 1 1 -11 7  43 o 80.65614 1.352564  64.75675       2.170559  69.85083       3.278678  60.78222       2.896072  5.593590       2.705127  
1 1 1 -11 7  44 o 73.49111 0.8910297 54.00871       1.308322  55.64123       1.902933  52.54526       1.801707  2.100952       1.782059  
1 1 1 -11 7  45 o 27.99556 0.7070565 7.840659       0.3957449 8.012597       0.5691376 7.679704       0.5506556 0.5936337      1.414113  
1 1 1 -11 7  46 o 39.73551 0.6954511 15.80641       0.5526069 15.51909       0.7819877 16.09302       0.7810216 -0.7222366     1.390902  
1 1 1 -11 7  47 o 59.39239 0.7938972 35.29357       0.9425091 34.34642       1.306618  36.32098       1.360853  -1.658722      1.587794  
1 1 1 -11 7  48 o 71.80246 0.8873153 51.32806       1.268766  48.23976       1.700931  55.20173       1.904966  -4.831276      1.774631  
1 1 1 -11 7  49 o 32.91814 0.7239015 10.84807       0.4764366 10.47043       0.6668131 11.24192       0.6809763 -1.170753      1.447803  
1 1 1 -11 7  50 o 9.659716 1.530879  1.092412       0.3315018 0.9612536E-01  0.5354378 1.711673       0.4221371 -6.793562      3.061759  
1 1 1 -11 7  51 o 64.59115 0.8535303 41.81160       1.102423  40.81440       1.544674  42.84685       1.573860  -1.570297      1.707061  
1 1 1 -11 7  52 o 19.97535 0.9566810 4.015671       0.3806717 3.847404       0.5567670 4.163379       0.5216494 -0.7953625     1.913362  
1 1 1 -11 7  53 o 65.00871 0.8674537 42.32337       1.126468  43.58867       1.642394  41.19943       1.547933  1.826309       1.734907  
1 1 1 -11 7  54 o 47.30517 0.7831043 22.43552       0.7407389 22.38867       1.057975  22.48058       1.037453  -0.9949493E-01 1.566209  
1 1 1 -11 7  55 o 7.672055 1.834202  0.4663454      0.3569657 0.9048141      0.5354437 0.1155592      0.4789231 3.329345       3.668405  
1 1 1 -11 7  56 o 8.067728 1.911903  0.5901662      0.3663237 0.8417445      0.5587217 0.4004781      0.4851532 2.027678       3.823807  
1 1 1 -11 7  57 o 34.40203 1.631475  13.52730       0.8182935 14.40673       0.9093369 9.783385       1.876222  6.969259       3.262950  
1 1 1 -11 7  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 8  1  o 284.2548 4.192520  809.3462       23.83351  814.5659       33.92554  804.2595       33.49001  1.806549       8.385040  
1 1 1 -11 8  2  o 538.9268 7.934795  2919.567       85.46336  2861.949       118.2055  2982.674       123.7092  -11.05219      15.86959  
1 1 1 -11 8  3  o 533.7897 5.557542  2840.641       59.01736  3016.537       89.08783  2703.077       78.78487  29.17017       11.11508  
1 1 1 -11 8  4  o 422.2792 4.709087  1785.763       39.31704  1779.349       51.79233  1794.487       60.40032  -1.658264      9.418174  
1 1 1 -11 8  5  o 264.5740 2.760242  699.5181       14.58773  719.1776       21.26982  682.0576       20.04495  7.003815       5.520485  
1 1 1 -11 8  6  o 488.1236 5.072787  2388.199       49.51943  2407.157       70.54278  2369.782       69.53030  3.811279       10.14557  
1 1 1 -11 8  7  o 454.9525 4.721139  2073.342       42.94185  2105.152       61.74451  2043.541       59.76191  6.739441       9.442278  
1 1 1 -11 8  8  o 312.5871 3.252079  976.3958       20.30170  1008.624       29.68573  948.0791       27.82628  9.663513       6.504159  
1 1 1 -11 8  9  o 35.99796 0.5617108 12.95973       0.4043778 12.78486       0.5722135 13.13420       0.5715402 -0.4852219     1.123422  
1 1 1 -11 8  10 o 84.50929 0.9523254 69.57903       1.578398  62.68180       2.007759  80.73884       2.553891  -10.68154      1.904651  
1 1 1 -11 8  11 o 401.5849 4.169195  1615.723       33.48497  1621.310       47.54364  1610.223       47.16840  1.374329       8.338390  
1 1 1 -11 8  12 o 280.3588 2.919450  786.7651       16.36956  788.9692       23.23450  784.5929       23.06652  0.7785034      5.838901  
1 1 1 -11 8  13 o 386.3181 4.014411  1494.808       31.00641  1476.024       43.19253  1514.780       44.53778  -4.992798      8.028822  
1 1 1 -11 8  14 o 326.4429 3.395455  1066.023       22.14678  1041.448       30.52411  1093.340       32.18217  -7.922333      6.790910  
1 1 1 -11 8  15 o 120.3997 1.839858  144.9666       4.428915  147.3230       6.362607  142.7516       6.168754  1.896675       3.679716  
1 1 1 -11 8  16 o 282.6533 2.945463  799.7995       16.64834  792.4013       23.30186  807.5138       23.79449  -2.665833      5.890926  
1 1 1 -11 8  17 o 150.6629 1.599463  226.3489       4.806418  217.7778       6.515222  236.5838       7.119508  -6.235764      3.198926  
1 1 1 -11 8  18 o 148.6530 1.579364  220.6749       4.688311  214.3969       6.420769  227.8447       6.861719  -4.519119      3.158729  
1 1 1 -11 8  19 o 274.1042 2.858957  752.4141       15.67224  756.8018       22.29925  748.1313       22.03098  1.576599       5.717915  
1 1 1 -11 8  20 o 170.9719 1.803616  292.1045       6.160119  284.6967       8.469770  300.4238       8.975673  -4.592773      3.607232  
1 1 1 -11 8  21 o 34.56871 0.5834291 11.94245       0.4032255 11.57530       0.5618491 12.33242       0.5790330 -1.095013      1.166858  
1 1 1 -11 8  22 o 48.85628 0.6517529 23.75590       0.6351701 22.27040       0.8611226 25.52854       0.9406720 -3.333996      1.303506  
1 1 1 -11 8  23 o 238.1546 2.489507  567.8812       11.85639  563.4363       16.61845  572.4893       16.92058  -1.894775      4.979015  
1 1 1 -11 8  24 f 102.7921 1.131113  105.1787       2.316208  100.2783       3.113783  111.2490       3.465616  -5.333191      2.262226  
1 1 1 -11 8  25 o 407.1988 4.238860  1664.102       34.49895  1633.097       47.77658  1697.881       49.86839  -7.878815      8.477719  
1 1 1 -11 8  26 o 192.7738 2.460160  376.1416       9.124583  357.3058       14.92717  387.3784       11.52939  -7.874619      4.920321  
1 1 1 -11 8  27 o 169.8557 2.538611  289.0087       8.623924  289.7280       12.21385  288.2936       12.17837  0.4213867      5.077223  
1 1 1 -11 8  28 f 128.1934 1.945976  164.2269       4.982054  159.4306       6.829251  169.6833       7.284100  -3.989792      3.891951  
1 1 1 -11 8  29 o 146.1348 2.200631  213.7512       6.428508  217.5789       9.269342  210.2040       8.923106  2.514954       4.401262  
1 1 1 -11 8  30 o 150.3728 1.968702  224.9925       5.534611  222.4638       6.705529  230.3969       9.803103  -2.566879      3.937404  
1 1 1 -11 8  31 o 296.6183 3.097355  882.2514       18.36105  864.4846       25.38957  901.7300       26.58453  -6.228973      6.194710  
1 1 1 -11 8  32 o 197.9603 2.084975  392.6062       8.254492  390.4317       11.60885  394.8300       11.73948  -1.106689      4.169950  
1 1 1 -11 8  33 o 157.2332 1.673833  247.5446       5.263541  246.6670       7.416477  248.4353       7.471369  -0.5607758     3.347665  
1 1 1 -11 8  34 f 89.97261 1.018730  80.65697       1.827339  85.13154       2.718401  76.96824       2.468178  4.531433       2.037460  
1 1 1 -11 8  35 o 98.84109 1.102402  97.41439       2.172884  102.2769       3.224766  93.37083       2.940688  4.498032       2.204805  
1 1 1 -11 8  36 o 131.0685 1.415066  171.5115       3.700065  164.9170       5.022800  179.3362       5.471282  -5.483566      2.830131  
1 1 1 -11 8  37 o 112.8374 1.335385  127.8803       2.998661  131.5099       4.077558  123.6053       4.425241  3.517372       2.670770  
1 1 1 -11 8  38 o 127.1685 1.680873  163.7565       4.097068  167.9842       5.146095  156.4376       6.770914  4.632286       3.361746  
1 1 1 -11 8  39 o 82.17400 1.356615  67.66889       2.229566  67.64599       3.155486  67.69173       3.150685  -0.2809906E-01 2.713230  
1 1 1 -11 8  40 o 47.66624 1.011113  22.01385       0.9474902 18.72268       1.212730  27.17044       1.517996  -8.847382      2.022225  
1 1 1 -11 8  41 o 61.11983 1.128999  37.42108       1.380053  37.06170       1.947091  37.78388       1.956320  -0.5902863     2.257998  
1 1 1 -11 8  42 o 57.78893 1.103511  33.17076       1.268612  36.21598       1.919118  30.80733       1.690691  4.666218       2.207021  
1 1 1 -11 8  43 o 62.09981 1.142359  38.42372       1.413897  41.29162       2.109683  36.08520       1.905045  4.178738       2.284719  
1 1 1 -11 8  44 o 24.57614 0.9004354 5.992377       0.4172434 6.217838       0.7291511 5.882605       0.5087762 0.6690617      1.800871  
1 1 1 -11 8  45 o 91.00648 1.049392  82.46302       1.901467  77.61864       2.546542  88.56738       2.858590  -5.992424      2.098784  
1 1 1 -11 8  46 o 33.65730 0.7182748 11.35565       0.4825949 11.06884       0.6990346 11.61684       0.6670713 -0.8159065     1.436550  
1 1 1 -11 8  47 o 54.06741 0.7682092 29.27556       0.8305487 28.53918       1.171183  30.02054       1.177993  -1.369461      1.536418  
1 1 1 -11 8  48 o 34.16235 0.7414595 11.70867       0.5056798 11.01862       0.7205203 12.37848       0.7098769 -1.991081      1.482919  
1 1 1 -11 8  49 o 12.15411 1.371939  1.513913       0.3220860 1.462687       0.4888979 1.553195       0.4281247 -0.5621777     2.743878  
1 1 1 -11 8  50 o 43.30825 0.7504313 18.78824       0.6488811 18.83026       0.9462700 18.75096       0.8914909 0.8679962E-01  1.500863  
1 1 1 -11 8  51 o 8.191510 1.644901  0.5782340      0.3234969 1.218449       0.4854573 0.6686600E-01  0.4338651 5.177157       3.289802  
1 1 1 -11 8  52 o 43.03188 0.7676893 18.54752       0.6593460 18.73796       0.9660847 18.38146       0.9021114 0.4075813      1.535379  
1 1 1 -11 8  53 o 13.63911 1.357986  1.898105       0.3656339 1.644098       0.5361463 2.118946       0.4999209 -1.747742      2.715971  
1 1 1 -11 8  54 o 68.40648 0.8972210 46.73348       1.223346  49.54501       1.823531  44.43257       1.649653  3.713470       1.794442  
1 1 1 -11 8  55 f 40.82236 0.7800288 16.69944       0.6354951 16.92570       0.9323683 16.50311       0.8684805 0.5090714      1.560058  
1 1 1 -11 8  56 o 42.03447 0.7964389 17.71414       0.6687080 17.93084       0.9730436 17.52020       0.9205317 0.4810715      1.592878  
1 1 1 -11 8  57 o 34.76381 1.461720  12.15365       1.016299  12.15365       1.016299  ?              ?         ?              ?         
1 1 1 -11 8  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 9  1  o 276.8354 4.086240  767.5138       22.61452  755.9004       31.43497  779.9719       32.55811  -4.328461      8.172481  
1 1 1 -11 9  2  o 223.3156 2.339205  498.9980       10.44737  501.1128       14.83710  496.9185       14.71329  0.9378967      4.678409  
1 1 1 -11 9  3  o 31.44072 0.5284209 9.879410       0.3321176 10.07176       0.4787565 9.700974       0.4611108 0.5896282      1.056842  
1 1 1 -11 9  4  o 279.5640 2.912608  782.0907       16.28099  773.3688       22.72011  791.2967       23.34207  -3.199188      5.825217  
1 1 1 -11 9  5  o 354.3918 3.681803  1257.434       26.08846  1274.281       37.43644  1241.529       36.37572  4.605316       7.363605  
1 1 1 -11 9  6  o 320.1337 3.329659  1025.604       21.30887  1009.478       29.60335  1042.944       30.69698  -5.212280      6.659317  
1 1 1 -11 9  7  o 288.2837 3.001177  831.8582       17.30257  837.9871       24.64808  825.9039       24.29480  2.091400       6.002354  
1 1 1 -11 9  8  f 69.32149 0.8045440 48.02174       1.114845  49.13087       1.609024  46.99765       1.546113  1.538429       1.609088  
1 1 1 -11 9  9  o 433.1611 4.500103  1872.353       38.83357  1973.435       58.06198  1790.536       52.23669  21.00034       9.000206  
1 1 1 -11 9  10 o 169.6671 1.789157  287.9821       6.071177  287.4560       8.566319  288.5131       8.605699  -0.3112030     3.578315  
1 1 1 -11 9  11 o 187.9120 1.973777  353.0829       7.414320  359.5300       10.68715  347.1006       10.29472  3.303711       3.947554  
1 1 1 -11 9  12 o 92.25964 1.023534  85.04129       1.887199  87.34084       2.734030  82.94852       2.608217  2.379799       2.047067  
1 1 1 -11 9  13 o 115.2512 1.245068  132.4121       2.862000  127.2333       3.878448  138.6037       4.240729  -4.930611      2.490135  
1 1 1 -11 9  14 o 143.5049 1.525133  205.1927       4.362941  196.5754       5.891020  215.6614       6.493087  -6.645111      3.050266  
1 1 1 -11 9  15 o 94.79699 1.213827  89.87863       2.301196  90.45704       3.276702  89.31571       3.232513  0.6016846      2.427655  
1 1 1 -11 9  16 o 180.9604 1.905247  326.3049       6.870890  312.5880       9.261126  343.0988       10.24736  -8.419113      3.810493  
1 1 1 -11 9  17 o 71.29424 0.8344986 50.73574       1.188443  52.80546       1.733996  48.90222       1.632056  2.736877       1.668997  
1 1 1 -11 9  18 o 405.2136 4.213831  1647.258       34.14133  1668.107       48.94793  1627.505       47.64470  4.971466       8.427662  
1 1 1 -11 9  19 o 39.89498 0.5986259 15.67431       0.4739574 13.82007       0.6261207 18.16266       0.7253216 -5.442078      1.197252  
1 1 1 -11 9  20 o 94.43196 1.133186  88.71085       2.101898  91.74225       3.325219  86.69363       2.712547  2.667580       2.266372  
1 1 1 -11 9  21 o 163.8749 1.733307  268.6172       5.678990  264.5670       7.908332  272.9295       8.160198  -2.548004      3.466615  
1 1 1 -11 9  22 o 104.3183 1.142303  108.8132       2.382501  110.3996       3.421558  107.3200       3.319490  1.475151       2.284605  
1 1 1 -11 9  23 o 165.1792 2.138485  272.9904       6.663790  273.5375       11.53550  272.7164       8.163751  0.1911621      4.276970  
1 1 1 -11 9  24 o 102.6927 1.585750  105.5017       3.256372  106.6646       4.656028  104.3882       4.556013  1.107002       3.171501  
1 1 1 -11 9  25 o 148.7380 2.233219  220.5706       6.619589  211.0517       8.921403  232.2307       9.873920  -7.100189      4.466438  
1 1 1 -11 9  26 o 212.3062 3.151481  451.7875       13.37764  445.4061       18.64831  458.5530       19.20150  -3.079483      6.302962  
1 1 1 -11 9  27 o 265.1230 3.409571  700.4383       16.85719  692.0033       20.37571  718.7349       30.00923  -4.705750      6.819143  
1 1 1 -11 9  28 o 86.78026 0.9845981 75.12160       1.705220  78.40250       2.512732  72.32069       2.321675  3.502068       1.969196  
1 1 1 -11 9  29 o 74.15402 0.8745034 54.77943       1.293446  52.12717       1.752304  57.95441       1.917218  -3.927452      1.749007  
1 1 1 -11 9  30 o 103.4125 1.142060  106.3093       2.350084  113.5501       3.545033  100.6324       3.138939  6.239601       2.284120  
1 1 1 -11 9  31 o 86.60492 0.9848918 75.03515       1.705915  75.14639       2.418275  74.92496       2.406822  0.1276703      1.969784  
1 1 1 -11 9  32 o 216.6293 2.275948  469.4359       9.843222  454.9444       13.44924  486.1524       14.44486  -7.165649      4.551896  
1 1 1 -11 9  33 f 152.3348 1.624571  232.3757       4.949228  230.7552       6.949887  234.0431       7.049712  -1.076004      3.249141  
1 1 1 -11 9  34 o 141.1511 1.514764  199.4814       4.275466  197.1122       5.979134  201.9603       6.116037  -1.712631      3.029528  
1 1 1 -11 9  35 o 28.47299 0.7289458 8.131100       0.4066618 8.005045       0.6406601 8.216162       0.5262773 -0.3728771     1.457892  
1 1 1 -11 9  36 o 34.82378 0.6498978 12.06182       0.4510689 12.96526       0.6730788 11.32530       0.6077303 2.353344       1.299796  
1 1 1 -11 9  37 o 117.3335 1.282755  137.4382       3.002105  143.7614       4.445607  132.1374       4.070398  4.937172       2.565511  
1 1 1 -11 9  38 o 80.95920 0.9452316 65.52467       1.528884  67.32233       2.224346  63.91484       2.104930  2.100113       1.890463  
1 1 1 -11 9  39 f 70.25997 0.8584150 48.90406       1.197440  53.51373       1.832819  45.47113       1.581674  5.713837       1.716830  
1 1 1 -11 9  40 o 86.95473 1.002583  75.71284       1.743579  75.42207       2.464330  76.00430       2.467260  -0.3346405     2.005165  
1 1 1 -11 9  41 o 87.19862 1.421622  75.85075       2.470454  71.62463       3.326924  81.04536       3.688482  -5.375153      2.843243  
1 1 1 -11 9  42 o 46.93246 0.7146957 22.04046       0.6706752 21.34685       0.9423206 22.75251       0.9547576 -1.497040      1.429391  
1 1 1 -11 9  43 o 31.56018 0.7604809 9.642653       0.4719070 8.121857       0.6048474 12.00863       0.7544239 -6.150675      1.520962  
1 1 1 -11 9  44 o 49.90765 0.9114298 24.18141       0.8456373 22.96572       1.010878  27.01526       1.543389  -4.023182      1.822860  
1 1 1 -11 9  45 o 43.41153 1.011160  18.65869       0.8726044 16.63880       1.161564  21.27528       1.322052  -5.328152      2.022319  
1 1 1 -11 9  46 o 17.29446 1.317099  3.005021       0.4546106 2.760401       0.6386434 3.256299       0.6472765 -1.432745      2.634198  
1 1 1 -11 9  47 o 31.72081 1.032209  10.09568       0.6544793 9.877597       0.9347004 10.30544       0.9167088 -0.6761284     2.064418  
1 1 1 -11 9  48 o 21.46705 1.173625  4.553395       0.4968472 5.781332       0.7517006 3.600761       0.6620944 5.068003       2.347250  
1 1 1 -11 9  49 o 11.06370 2.015001  1.278686       0.4481294 1.401550       0.6627765 1.175213       0.6082321 0.9491348      4.030001  
1 1 1 -11 9  50 o 44.91232 0.9225611 20.62766       0.7876792 18.89325       1.309396  21.61122       0.9860432 -3.061325      1.845122  
1 1 1 -11 9  51 o 7.819768 1.555628  0.5280180      0.3408978 -0.4866973     0.5388288 1.205239       0.4401940 -5.861887      3.111256  
1 1 1 -11 9  52 o 27.27195 0.8619002 7.518188       0.4601323 5.657374       0.6400797 9.508159       0.6619204 -7.057430      1.723800  
1 1 1 -11 9  53 o 27.78308 0.8445710 7.776660       0.4670853 7.052845       0.6696291 8.462543       0.6518466 -2.539162      1.689142  
1 1 1 -11 9  54 o 26.91159 0.8620583 7.283065       0.4627829 6.974172       0.6699103 7.565042       0.6400576 -1.101900      1.724117  
1 1 1 -11 9  55 o 14.49558 1.453616  2.243037       0.3921264 1.650729       0.5873157 2.719429       0.5267205 -3.885427      2.907231  
1 1 1 -11 9  56 o 34.08316 1.030266  11.74453       0.6684178 11.89733       0.8299271 11.46242       1.127673  0.6921463      2.060532  
1 1 1 -11 9  57 o 32.27767 1.849192  10.51739       1.193752  10.51739       1.193752  ?              ?         ?              ?         
1 1 1 -11 9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 9  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 10 1  o 284.9860 4.205177  814.1929       23.96832  814.0269       33.88698  814.3590       33.90569  -0.5789185E-01 8.410354  
1 1 1 -11 10 2  o 125.3823 1.343207  157.1278       3.366281  160.5211       4.862870  154.0055       4.664598  2.596947       2.686415  
1 1 1 -11 10 3  o 151.3434 1.603277  229.0351       4.851296  232.5791       6.969584  225.7041       6.756898  2.269684       3.206554  
1 1 1 -11 10 4  o 169.7185 1.789125  288.0569       6.071049  292.4155       8.718091  283.9532       8.459275  2.490799       3.578251  
1 1 1 -11 10 5  f 253.8244 2.647141  644.0741       13.42364  628.5908       18.47744  661.3795       19.53441  -6.445496      5.294281  
1 1 1 -11 10 6  o 400.0546 4.155944  1603.776       33.24438  1585.323       46.42085  1623.204       47.63184  -4.710236      8.311889  
1 1 1 -11 10 7  o 361.4831 3.756804  1308.837       27.15316  1292.670       37.88044  1325.923       38.94233  -4.579956      7.513608  
1 1 1 -11 10 8  f 141.8777 1.509150  199.3347       4.246727  216.5539       6.529867  186.7132       5.590515  10.50929       3.018300  
1 1 1 -11 10 9  f 97.10474 1.067070  94.29409       2.072093  95.18668       2.958567  93.43472       2.902987  0.9017944      2.134139  
1 1 1 -11 10 10 o 224.0144 2.342170  501.0052       10.47164  520.2905       15.41706  484.4876       14.26788  7.977173       4.684341  
1 1 1 -11 10 11 o 166.5908 1.758544  277.6403       5.858908  279.2216       8.331154  276.0930       8.241076  0.9381714      3.517088  
1 1 1 -11 10 12 o 99.17288 1.091237  97.84892       2.155103  93.10357       2.891052  103.7835       3.233105  -5.382439      2.182474  
1 1 1 -11 10 13 o 79.68843 0.9076157 63.45852       1.445727  65.03609       2.087420  62.00417       2.004249  1.901924       1.815231  
1 1 1 -11 10 14 f 107.3438 1.352118  114.9550       2.896650  119.7956       4.267495  110.8195       3.944506  4.178307       2.704237  
1 1 1 -11 10 15 o 52.10209 0.6815102 26.14895       0.6942871 22.64653       0.8761936 32.05866       1.138148  -9.031212      1.363020  
1 1 1 -11 10 16 o 77.13989 0.8835055 59.45745       1.362086  58.08428       1.883435  60.96309       1.972190  -1.865410      1.767011  
1 1 1 -11 10 17 o 120.8798 1.301469  146.1252       3.145618  144.1886       4.388970  148.1706       4.510677  -1.645897      2.602938  
1 1 1 -11 10 18 o 58.31743 0.7304963 33.61547       0.8453718 37.16383       1.298114  31.00240       1.113973  5.281586       1.460993  
1 1 1 -11 10 19 o 185.7751 2.363908  349.9627       8.494882  327.4177       13.65752  364.1883       10.84883  -9.949112      4.727816  
1 1 1 -11 10 20 o 205.6628 3.051365  420.8325       12.47388  398.4831       16.57941  449.9869       18.93602  -12.46524      6.102730  
1 1 1 -11 10 21 o 118.5466 1.803271  140.4777       4.271414  144.0854       6.204001  137.2263       5.889635  2.888489       3.606542  
1 1 1 -11 10 22 o 69.40973 1.149452  47.88173       1.588828  45.01063       2.130069  51.48252       2.385438  -4.659622      2.298904  
1 1 1 -11 10 23 o 337.3551 4.326015  1136.829       27.25897  1125.086       33.01151  1161.998       48.32732  -4.888977      8.652031  
1 1 1 -11 10 24 o 53.48715 0.7116525 28.55359       0.7603042 29.75222       1.110256  27.49512       1.043327  2.109509       1.423305  
1 1 1 -11 10 25 o 119.2627 1.295540  141.0754       3.069314  152.5296       4.679952  132.4299       4.065869  8.418808       2.591080  
1 1 1 -11 10 26 o 280.4263 2.928439  787.3590       16.40553  767.8961       22.56653  809.1756       23.89201  -7.319214      5.856877  
1 1 1 -11 10 27 o 121.9315 1.326152  148.6783       3.232546  151.1967       4.655548  146.3340       4.491866  1.991600       2.652304  
1 1 1 -11 10 28 o 90.83932 1.023104  82.54617       1.858732  82.68156       2.637133  82.41251       2.620234  0.1478806      2.046208  
1 1 1 -11 10 29 f 159.6869 1.696699  253.8784       5.393503  269.1869       8.109968  241.7383       7.222131  8.574310       3.393399  
1 1 1 -11 10 30 o 93.15327 1.046722  86.81577       1.950065  86.95331       2.768301  86.68030       2.747434  0.1462021      2.093443  
1 1 1 -11 10 31 o 117.2522 1.278841  137.5617       2.998464  138.8754       4.286081  136.3025       4.196281  1.095253       2.557682  
1 1 1 -11 10 32 o 100.4658 1.118179  100.9430       2.245585  102.7518       3.239136  99.26918       3.115921  1.730553       2.236357  
1 1 1 -11 10 33 o 125.0591 1.355513  156.1115       3.382442  150.1379       4.597646  163.1591       4.993874  -5.193932      2.711025  
1 1 1 -11 10 34 o 33.27331 0.6593117 11.03752       0.4371681 9.785314       0.6010929 12.44363       0.6369632 -3.994068      1.318623  
1 1 1 -11 10 35 o 88.08670 1.006502  77.56187       1.771316  79.69373       2.577000  75.65261       2.438752  2.289619       2.013004  
1 1 1 -11 10 36 o 26.69385 0.6880934 7.127556       0.3665172 7.147368       0.5371533 7.110296       0.5013629 0.6861305E-01  1.376187  
1 1 1 -11 10 37 o 120.5026 1.315174  145.4415       3.169154  143.7870       4.435034  147.1676       4.530204  -1.398056      2.630348  
1 1 1 -11 10 38 o 95.46617 1.079217  90.77898       2.051855  96.41501       3.077057  86.26633       2.753372  5.299965       2.158434  
1 1 1 -11 10 39 o 78.16586 0.9244556 61.16721       1.445200  60.75441       2.040951  61.58234       2.046706  -0.5293503     1.848911  
1 1 1 -11 10 40 o 59.15523 1.015962  34.48015       1.164030  37.26253       1.932926  32.89692       1.458069  3.665485       2.031924  
1 1 1 -11 10 41 o 85.17172 0.9909629 72.56168       1.686240  74.50735       2.453387  70.81960       2.321483  2.157784       1.981926  
1 1 1 -11 10 42 o 82.23141 1.374407  67.82462       2.260077  68.36115       3.227933  67.30866       3.165446  0.6348724      2.748814  
1 1 1 -11 10 43 o 16.60229 0.9627166 2.791981       0.3145769 2.564506       0.4782722 2.965425       0.4176271 -1.211432      1.925433  
1 1 1 -11 10 44 o 62.09892 0.8113256 37.96294       0.9958948 42.83644       1.559991  34.61040       1.293863  6.607998       1.622651  
1 1 1 -11 10 45 o 68.20820 0.8605979 46.37068       1.169632  49.20780       1.747714  44.06924       1.574095  3.754639       1.721196  
1 1 1 -11 10 46 o 67.21918 0.8588443 45.04198       1.151426  42.24545       1.559284  48.39549       1.707519  -4.563271      1.717689  
1 1 1 -11 10 47 o 56.71925 0.7874945 32.20834       0.8930396 31.22675       1.245905  33.24554       1.280712  -1.776840      1.574989  
1 1 1 -11 10 48 o 51.44807 0.7679865 26.50891       0.7900701 25.77908       1.108008  27.26383       1.126887  -1.441414      1.535973  
1 1 1 -11 10 49 o 32.02142 0.7561244 10.20468       0.4826136 11.21407       0.7181631 9.373456       0.6517041 2.868149       1.512249  
1 1 1 -11 10 50 o 31.18266 0.9547241 9.808948       0.5753077 9.968182       0.7286794 9.545427       0.9374052 0.7031727      1.909448  
1 1 1 -11 10 51 o 32.08861 0.9722161 9.883422       0.5994519 8.834661       0.7358656 11.95234       1.033550  -4.818489      1.944432  
1 1 1 -11 10 52 o 30.00937 1.120638  9.007562       0.6685508 7.708926       0.9140078 10.50180       0.9804302 -4.642643      2.241277  
1 1 1 -11 10 53 o 48.78056 1.112863  23.88622       1.084932  22.83732       1.502330  25.02949       1.568455  -2.235901      2.225727  
1 1 1 -11 10 54 f 22.19298 1.288670  4.960697       0.5691813 4.322764       0.7894725 5.651206       0.8213620 -2.985905      2.577339  
1 1 1 -11 10 55 o 52.09190 1.162139  27.32112       1.210647  27.04514       1.717813  27.59346       1.706470  -0.5286255     2.324279  
1 1 1 -11 10 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 10 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 10 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 11 1  o 183.9825 1.935682  338.1106       7.112112  349.1706       10.40239  328.4028       9.745774  5.636459       3.871365  
1 1 1 -11 11 2  o 148.3604 1.575822  220.1340       4.674664  222.9396       6.699796  217.4724       6.525593  1.840958       3.151645  
1 1 1 -11 11 3  o 473.5133 4.923172  2249.124       46.59079  2296.523       67.41809  2205.792       64.46005  9.497467       9.846345  
1 1 1 -11 11 4  o 79.46120 0.9066706 61.52241       1.413442  71.43690       2.284401  55.37233       1.799191  10.10593       1.813341  
1 1 1 -11 11 5  o 187.4734 1.969245  350.3998       7.360830  367.2974       10.93629  336.4050       9.952662  8.228180       3.938490  
1 1 1 -11 11 6  f 62.43594 0.7495653 38.86814       0.9341373 37.20347       1.273020  40.81023       1.375006  -2.887932      1.499131  
1 1 1 -11 11 7  o 226.4271 2.367116  513.1602       10.71958  513.4228       15.16544  512.8979       15.15411  0.1157379      4.734231  
1 1 1 -11 11 8  o 169.3500 1.787310  286.8990       6.052831  284.1742       8.477952  289.7318       8.644469  -1.639099      3.574620  
1 1 1 -11 11 9  o 241.4225 2.521257  582.3665       12.15398  602.0765       17.80602  565.1726       16.63076  7.625183       5.042514  
1 1 1 -11 11 10 o 340.3121 3.541149  1160.618       24.10086  1155.082       33.89565  1166.279       34.27504  -1.636780      7.082297  
1 1 1 -11 11 11 o 143.9565 1.530767  207.2982       4.406853  205.6161       6.180801  209.0376       6.284966  -1.187347      3.061535  
1 1 1 -11 11 12 o 186.8734 1.967647  347.9225       7.325272  333.0450       9.853589  366.3026       10.95230  -8.883789      3.935294  
1 1 1 -11 11 13 o 213.0509 2.232716  454.2299       9.511177  448.8352       13.27182  459.9257       13.63729  -2.596970      4.465432  
1 1 1 -11 11 14 o 299.8696 3.126012  898.5534       18.70137  935.4888       27.63328  867.3401       25.40276  11.31052       6.252023  
1 1 1 -11 11 15 o 65.91622 0.7886018 43.45648       1.039609  43.19794       1.471896  43.71386       1.468569  -0.3913727     1.577204  
1 1 1 -11 11 16 o 244.2059 3.139039  593.5757       14.30465  609.1685       25.43779  586.3646       17.29898  4.465576       6.278078  
1 1 1 -11 11 17 o 264.6228 3.907182  702.6185       20.67741  698.5773       29.05758  706.7641       29.43054  -1.535248      7.814364  
1 1 1 -11 11 18 o 89.20329 1.403695  78.72998       2.482124  73.45316       3.260014  86.00826       3.828662  -7.031128      2.807390  
1 1 1 -11 11 19 o 279.7496 4.129457  784.9552       23.08867  769.8434       31.95807  801.4553       33.39384  -5.603363      8.258913  
1 1 1 -11 11 20 o 163.4774 2.113739  267.7906       6.532850  268.3328       8.026990  266.7269       11.24298  0.5468750      4.227478  
1 1 1 -11 11 21 o 54.59927 0.7099792 29.67191       0.7731537 27.93326       1.046985  31.75715       1.146602  -3.501144      1.419958  
1 1 1 -11 11 22 f 263.2227 2.749769  693.1216       14.45681  714.4475       21.10660  674.2746       19.84198  7.599243       5.499537  
1 1 1 -11 11 23 o 124.2047 1.339821  153.4570       3.312876  145.7118       4.436175  163.2226       4.981292  -7.042198      2.679642  
1 1 1 -11 11 24 o 91.10513 1.022832  83.02320       1.863635  83.38339       2.649270  82.67036       2.622096  0.3910446      2.045665  
1 1 1 -11 11 25 o 88.58443 1.005001  78.49545       1.780530  78.66124       2.524716  78.33139       2.511437  0.1860352      2.010001  
1 1 1 -11 11 26 o 90.87100 1.022278  82.58446       1.857618  81.59409       2.599212  83.61845       2.655840  -1.113197      2.044556  
1 1 1 -11 11 27 o 36.91033 0.6367315 13.62989       0.4698544 13.44135       0.6710747 13.81118       0.6580651 -0.5010910     1.273463  
1 1 1 -11 11 28 o 138.3945 1.483244  191.6347       4.104318  194.1897       5.887833  189.2197       5.724380  1.792221       2.966487  
1 1 1 -11 11 29 o 79.01196 0.9189397 62.44074       1.451920  63.07474       2.075306  61.83291       2.032029  0.7852249      1.837879  
1 1 1 -11 11 30 f 215.5631 2.264856  465.7773       9.763794  468.5034       13.89968  463.1219       13.71829  1.241333       4.529713  
1 1 1 -11 11 31 o 33.27714 0.6547732 11.06507       0.4352817 11.30027       0.6334606 10.85467       0.5991353 0.6690865      1.309546  
1 1 1 -11 11 32 o 105.1296 1.162287  109.8094       2.430193  103.4381       3.236961  118.0394       3.678930  -6.932793      2.324573  
1 1 1 -11 11 33 o 37.38736 0.6529897 13.98200       0.4880197 13.99735       0.7017018 13.96762       0.6791773 0.3938293E-01  1.305979  
1 1 1 -11 11 34 o 130.5289 1.412576  170.6436       3.687235  168.9940       5.168214  172.3537       5.262131  -1.282944      2.825152  
1 1 1 -11 11 35 o 100.2262 1.118943  100.5707       2.242932  100.1712       3.164964  100.9738       3.179052  -0.3998337     2.237886  
1 1 1 -11 11 36 o 104.7490 1.162984  109.8765       2.436414  109.4388       3.438829  110.3177       3.452431  -0.4189682     2.325968  
1 1 1 -11 11 37 o 159.4965 1.703641  255.2746       5.434028  253.2288       7.624681  257.3863       7.746521  -1.294220      3.407282  
1 1 1 -11 11 38 o 34.36675 0.6710423 11.58016       0.4565214 13.71873       0.7080185 10.05836       0.5972581 5.322021       1.342085  
1 1 1 -11 11 39 f 23.07498 0.7554978 5.383806       0.3444418 4.488171       0.4924649 6.241546       0.4819342 -3.799692      1.510996  
1 1 1 -11 11 40 o 30.30177 0.7037381 9.212483       0.4253456 8.560582       0.6074796 9.839453       0.5957508 -2.110666      1.407476  
1 1 1 -11 11 41 o 52.65053 0.7419564 27.63750       0.7797535 25.86110       1.064205  29.69669       1.145785  -3.638988      1.483913  
1 1 1 -11 11 42 o 22.83485 0.7845492 5.173367       0.3566799 5.796503       0.5349185 4.674518       0.4786088 2.453754       1.569098  
1 1 1 -11 11 43 o 42.62086 0.7073899 17.98597       0.5991191 19.94740       0.9127411 16.50112       0.7941484 4.037067       1.414780  
1 1 1 -11 11 44 o 47.83356 0.7302296 22.81466       0.6968816 24.23506       1.030596  21.61809       0.9459187 2.730587       1.460459  
1 1 1 -11 11 45 o 46.85490 0.7322130 21.98899       0.6856990 21.79528       0.9854489 22.17081       0.9547303 -0.4026947     1.464426  
1 1 1 -11 11 46 o 54.18085 0.7717834 29.41066       0.8361375 28.88103       1.186918  29.93245       1.178086  -0.9709625     1.543567  
1 1 1 -11 11 47 o 53.03843 0.7764766 28.14489       0.8229175 26.53501       1.143066  29.87699       1.185665  -3.147045      1.552953  
1 1 1 -11 11 48 o 34.04093 0.7473528 11.54043       0.5071612 12.48290       0.7552252 10.76631       0.6844544 2.515339       1.494706  
1 1 1 -11 11 49 o 85.27673 1.015669  72.98613       1.732239  72.60889       2.449990  73.36323       2.449523  -0.4423447     2.031337  
1 1 1 -11 11 50 o 56.67516 0.8185738 32.06495       0.9258582 29.70844       1.263527  34.79737       1.360575  -4.478874      1.637148  
1 1 1 -11 11 51 o 68.90158 0.8936040 47.60482       1.230622  48.15110       1.776701  47.10107       1.706166  0.7531433      1.787208  
1 1 1 -11 11 52 o 59.80870 0.8398726 35.88032       1.004476  35.53378       1.428827  36.21894       1.412403  -0.5748215     1.679745  
1 1 1 -11 11 53 f 26.64899 1.124008  7.144693       0.5474879 7.139668       1.003557  7.146823       0.6532646 -0.7652664E-01 2.248016  
1 1 1 -11 11 54 o 57.79890 1.201994  33.53112       1.382117  34.73921       2.078891  32.57416       1.850244  1.824497       2.403989  
1 1 1 -11 11 55 o 52.30172 1.262281  26.92488       1.089960  26.43548       1.227579  28.74783       2.369228  -1.959896      2.524562  
1 1 1 -11 11 56 o 9.359057 2.353105  0.7902884      0.5548419 0.8560276      0.7640101 0.7169265      0.8070911 0.3386383      4.706210  
1 1 1 -11 11 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 11 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 12 1  f 408.2455 6.032090  1678.035       49.22060  1711.859       71.12836  1646.955       68.18195  7.818512       12.06418  
1 1 1 -11 12 2  o 194.2425 2.896207  377.8106       11.24812  383.3507       16.14106  372.5804       15.68330  2.762833       5.792415  
1 1 1 -11 12 3  o 99.90326 1.345474  100.8887       2.565544  96.27155       4.279588  103.4789       3.205380  -3.617279      2.690948  
1 1 1 -11 12 4  o 67.51132 0.7940278 45.49167       1.070643  43.91862       1.467956  47.27942       1.564929  -2.488518      1.588056  
1 1 1 -11 12 5  o 130.0298 1.390814  169.0549       3.615389  166.3208       5.025251  171.9885       5.205369  -2.177628      2.781627  
1 1 1 -11 12 6  o 219.1916 2.293663  480.9196       10.05440  477.8490       14.12440  484.0737       14.31567  -1.416809      4.587325  
1 1 1 -11 12 7  o 114.5731 1.238449  131.2799       2.837317  129.8140       3.966291  132.8163       4.060514  -1.309387      2.476897  
1 1 1 -11 12 8  f 44.31243 0.6180423 19.01667       0.5381375 16.39168       0.6872730 23.17627       0.8651496 -7.654594      1.236085  
1 1 1 -11 12 9  o 185.4915 1.950662  344.0277       7.230936  352.0283       10.47786  336.7523       9.991632  4.110596       3.901325  
1 1 1 -11 12 10 o 115.2434 1.246660  132.6826       2.870383  136.4565       4.175824  129.3023       3.952080  3.101822       2.493321  
1 1 1 -11 12 11 o 162.7610 1.722184  264.0500       5.587468  277.2677       8.317445  253.1792       7.542953  7.389450       3.444368  
1 1 1 -11 12 12 o 369.0845 4.738187  1358.599       32.54556  1398.115       58.18790  1340.608       39.26105  7.080200       9.476374  
1 1 1 -11 12 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 12 14 o 124.0586 1.875654  153.8044       4.648177  158.3436       6.776501  149.7710       6.387742  3.449257       3.751308  
1 1 1 -11 12 15 o 86.85429 1.362260  74.15914       2.334128  83.24170       3.685267  68.07491       3.016250  8.724037       2.724519  
1 1 1 -11 12 16 o 129.9090 1.686176  170.6685       4.222326  175.9705       5.350132  161.9130       6.875229  5.430298       3.372352  
1 1 1 -11 12 17 o 109.9823 1.296179  120.1475       2.797309  116.7459       3.598033  125.3452       4.447668  -3.900574      2.592358  
1 1 1 -11 12 18 o 60.86623 0.7523184 36.63079       0.9087902 40.40645       1.394425  33.84291       1.198220  5.390522       1.504637  
1 1 1 -11 12 19 o 61.99641 0.7651734 38.41509       0.9483865 37.52625       1.318764  39.36716       1.364866  -1.484383      1.530347  
1 1 1 -11 12 20 f 278.8078 2.909225  778.8536       16.21901  787.7281       23.21844  770.3966       22.66582  3.093475       5.818451  
1 1 1 -11 12 21 o 255.4453 2.669272  652.5411       13.61484  633.5455       18.62968  674.3163       19.94624  -7.946976      5.338544  
1 1 1 -11 12 22 o 185.6511 1.956460  343.9109       7.244325  330.8114       9.817883  359.5668       10.73324  -7.726456      3.912920  
1 1 1 -11 12 23 o 223.8516 2.346689  501.8819       10.50536  505.2721       14.96978  498.5921       14.74640  1.486481       4.693378  
1 1 1 -11 12 24 o 116.5743 1.267597  134.0347       2.921869  124.0115       3.803419  148.4682       4.564108  -10.47894      2.535195  
1 1 1 -11 12 25 o 139.6473 1.494831  195.1563       4.174927  194.5565       5.885818  195.7635       5.922834  -0.4314880     2.989662  
1 1 1 -11 12 26 o 70.82671 0.8501063 48.88572       1.182612  57.00452       1.903977  43.78605       1.508992  9.327179       1.700213  
1 1 1 -11 12 27 o 96.15311 1.074575  92.46036       2.065762  93.89588       2.968579  91.11254       2.876457  1.445877       2.149149  
1 1 1 -11 12 28 o 140.1107 1.501943  196.2898       4.204915  191.6411       5.799445  201.4424       6.105659  -3.490311      3.003886  
1 1 1 -11 12 29 o 48.82723 0.6994488 22.92773       0.6678786 28.46133       1.094017  19.64019       0.8432496 9.029919       1.398898  
1 1 1 -11 12 30 o 117.6528 1.283356  138.5067       3.018998  136.5405       4.210936  140.5862       4.330596  -1.716179      2.566712  
1 1 1 -11 12 31 o 108.8559 1.198769  118.1533       2.601805  124.1608       3.866551  113.1822       3.517221  5.033012       2.397538  
1 1 1 -11 12 32 o 114.6474 1.253759  131.5570       2.874207  129.8097       4.015330  133.3930       4.116027  -1.559425      2.507517  
1 1 1 -11 12 33 o 49.12447 0.7039976 23.42510       0.6808912 20.02384       0.8749965 28.64640       1.084117  -8.771671      1.407995  
1 1 1 -11 12 34 o 37.38743 0.6563890 13.90138       0.4890049 14.93632       0.7309519 13.06294       0.6579148 2.503746       1.312778  
1 1 1 -11 12 35 o 75.07724 0.8926449 55.89815       1.332255  51.97274       1.769462  61.03588       2.024341  -6.027412      1.785290  
1 1 1 -11 12 36 o 68.82756 0.8440249 46.89757       1.153911  43.19725       1.526729  51.82761       1.762249  -6.260834      1.688050  
1 1 1 -11 12 37 o 73.36140 0.8829324 53.87385       1.295459  53.72490       1.832114  54.02279       1.831998  -0.2030334     1.765865  
1 1 1 -11 12 38 o 90.73788 1.038061  81.53212       1.867471  89.31422       2.878939  75.87902       2.453734  7.381165       2.076122  
1 1 1 -11 12 39 o 47.20921 0.7121497 22.30415       0.6722638 21.70672       0.9474121 22.91000       0.9540721 -1.274143      1.424299  
1 1 1 -11 12 40 o 68.34294 0.8527957 46.00335       1.153964  41.64717       1.507174  52.17482       1.793929  -7.688026      1.705591  
1 1 1 -11 12 41 o 74.80528 1.290110  56.12994       1.930076  55.66585       2.716283  56.60321       2.742994  -0.6242447     2.580220  
1 1 1 -11 12 42 o 102.1296 1.150995  104.3898       2.347437  107.8403       3.435125  101.3667       3.215321  3.151611       2.301990  
1 1 1 -11 12 43 o 94.47110 1.081594  89.47771       2.043556  89.37749       2.897109  89.57697       2.882992  -0.1067657     2.163187  
1 1 1 -11 12 44 o 47.54062 0.7329973 22.42756       0.6926105 24.41302       1.053374  20.91548       0.9192639 3.670090       1.465995  
1 1 1 -11 12 45 o 35.21148 0.7230483 12.37981       0.5079915 12.92206       0.7500183 11.92024       0.6904855 1.418446       1.446097  
1 1 1 -11 12 46 o 20.98764 0.8775393 4.405553       0.3663272 4.501147       0.5501612 4.329413       0.4910013 0.4036980      1.755079  
1 1 1 -11 12 47 f 65.64662 0.8550443 43.00527       1.119965  40.42611       1.521641  46.05418       1.654416  -4.273975      1.710089  
1 1 1 -11 12 48 o 67.13570 0.8712463 45.17088       1.169588  44.10382       1.634972  46.28923       1.673806  -1.623489      1.742493  
1 1 1 -11 12 49 o 19.71847 0.9818233 3.925239       0.3828729 3.733342       0.5785513 4.074765       0.5107020 -0.8745327     1.963647  
1 1 1 -11 12 50 o 47.62627 0.7882321 22.74004       0.7493434 22.69502       1.093889  22.77984       1.028586  -0.9611893E-01 1.576464  
1 1 1 -11 12 51 o 48.73463 1.119942  23.89696       1.087873  23.57915       1.600230  24.17006       1.483377  -0.6253433     2.239884  
1 1 1 -11 12 52 o 46.71018 1.131173  21.98111       1.054692  21.10254       1.519487  22.79793       1.465117  -1.824436      2.262347  
1 1 1 -11 12 53 o 44.97682 0.7978207 20.18165       0.7147515 21.48844       1.070877  19.13182       0.9598373 2.604294       1.595641  
1 1 1 -11 12 54 o 10.04181 1.810557  0.9871383      0.3847574 1.653532       0.5919395 0.4996180      0.5063003 5.035689       3.621114  
1 1 1 -11 12 55 o 10.32491 2.069695  1.144796       0.4561844 1.381224       0.5923092 0.8000692      0.7152165 2.196337       4.139391  
1 1 1 -11 12 56 o 30.96662 1.738137  9.672268       1.076484  9.672268       1.076484  ?              ?         ?              ?         
1 1 1 -11 12 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 13 1  o 155.9040 1.651623  243.2070       5.149824  242.5593       7.260683  243.8626       7.305423  -0.4173889     3.303245  
1 1 1 -11 13 2  o 130.4896 1.396385  169.8967       3.636294  163.9118       4.949714  176.9142       5.359714  -4.977554      2.792770  
1 1 1 -11 13 3  o 160.6785 2.096413  256.9375       6.282381  254.3340       7.596952  262.5692       11.17345  -2.503098      4.192825  
1 1 1 -11 13 4  o 100.6747 1.583978  101.1880       3.184004  105.1302       4.668899  97.76067       4.353364  3.656036       3.167955  
1 1 1 -11 13 5  o 29.62741 0.9204416 8.505332       0.5351392 6.613826       0.6954340 11.25142       0.8379328 -7.825468      1.840883  
1 1 1 -11 13 6  o 161.6888 2.430941  261.7730       7.860823  263.0916       11.17530  260.4817       11.05937  0.8048248      4.861882  
1 1 1 -11 13 7  o 199.0960 2.564115  397.2682       9.627760  396.1326       16.65554  397.8381       11.79872  -0.5270233     5.128230  
1 1 1 -11 13 8  o 218.3783 2.287133  477.3404       9.987188  472.0432       13.95700  482.8990       14.29718  -2.479309      4.574265  
1 1 1 -11 13 9  f 226.1241 2.882559  515.3760       12.43060  501.8604       20.88334  522.7925       15.46964  -4.750717      5.765117  
1 1 1 -11 13 10 o 139.1886 2.089144  192.1031       5.769642  207.9066       8.851282  180.4271       7.608107  9.850861       4.178288  
1 1 1 -11 13 11 o 237.5702 3.511219  564.1298       16.63762  589.2312       24.64232  543.1018       22.55436  9.651428       7.022438  
1 1 1 -11 13 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 13 13 f 155.7829 2.040406  237.7342       5.819606  230.4383       6.900191  255.7115       10.83142  -8.049301      4.080812  
1 1 1 -11 13 14 o 50.34360 0.6666242 25.26928       0.6699000 26.57750       0.9856964 24.14638       0.9132136 2.414143       1.333248  
1 1 1 -11 13 15 o 125.0298 1.345933  156.3897       3.365592  156.8819       4.774073  155.9034       4.745388  0.3909531      2.691866  
1 1 1 -11 13 16 o 137.3086 1.469530  188.5623       4.034362  191.5712       5.792300  185.7273       5.622392  2.125809       2.939061  
1 1 1 -11 13 17 o 296.0751 3.087635  878.7377       18.28337  880.3067       25.89992  877.1790       25.81347  0.5257568      6.175270  
1 1 1 -11 13 18 o 153.4467 1.630550  234.9491       4.992021  244.9182       7.372406  226.5081       6.783832  5.989975       3.261099  
1 1 1 -11 13 19 o 119.3053 1.294390  142.3196       3.087172  145.0545       4.447021  139.7756       4.289100  2.210365       2.588780  
1 1 1 -11 13 20 o 162.9353 1.730278  264.9125       5.623852  255.3572       7.632123  276.2646       8.318830  -6.403763      3.460555  
1 1 1 -11 13 21 o 209.0270 2.195865  437.2348       9.174201  428.8869       12.70858  446.3195       13.25738  -4.157059      4.391731  
1 1 1 -11 13 22 o 278.9442 2.912484  780.1767       16.24841  779.7848       22.97095  780.5690       22.98648  -0.1400452     5.824969  
1 1 1 -11 13 23 o 214.7260 2.254202  461.8223       9.680277  459.1977       13.61194  464.5078       13.76937  -1.232315      4.508404  
1 1 1 -11 13 24 o 117.6764 1.280765  138.2537       3.008910  143.4254       4.417057  133.7761       4.110000  4.094940       2.561530  
1 1 1 -11 13 25 o 134.3157 1.443729  180.3389       3.874559  175.8517       5.339849  185.3281       5.630615  -3.521683      2.887459  
1 1 1 -11 13 26 o 48.43479 0.6908877 23.37542       0.6679764 21.92473       0.9117807 25.05603       0.9813763 -3.231739      1.381775  
1 1 1 -11 13 27 o 87.68130 0.9982761 76.75417       1.747811  79.66821       2.560738  74.21260       2.391488  3.108238       1.996552  
1 1 1 -11 13 28 o 135.3279 1.454629  182.9305       3.929679  189.8345       5.773136  176.9700       5.364182  4.741730       2.909257  
1 1 1 -11 13 29 o 67.01321 0.8186479 44.68134       1.093399  42.11541       1.473200  47.82829       1.631486  -4.259651      1.637296  
1 1 1 -11 13 30 o 83.42812 0.9599560 68.63220       1.584085  76.33662       2.471889  63.26331       2.063486  7.825577       1.919912  
1 1 1 -11 13 31 o 21.24277 0.7299682 4.494024       0.3093399 4.805509       0.4578868 4.232494       0.4195660 1.347944       1.459936  
1 1 1 -11 13 32 o 75.70790 0.8937945 56.92413       1.345679  61.31767       2.038594  53.53139       1.791428  5.135216       1.787589  
1 1 1 -11 13 33 o 9.256966 1.354296  0.8379796      0.2483054 1.330045       0.3861066 0.4909468      0.3242509 4.535993       2.708592  
1 1 1 -11 13 34 o 58.43434 0.7601222 33.29975       0.8733237 38.91568       1.400676  29.72799       1.117036  7.853203       1.520244  
1 1 1 -11 13 35 o 38.44790 0.6629059 14.42814       0.5029684 17.17036       0.7937390 12.58825       0.6501630 5.954632       1.325812  
1 1 1 -11 13 36 o 94.85278 1.074518  90.10780       2.038409  89.80790       2.883922  90.40721       2.881570  -0.3160248     2.149036  
1 1 1 -11 13 37 o 151.6523 1.627670  230.6572       4.933086  235.7185       7.143658  226.0436       6.820435  3.163223       3.255339  
1 1 1 -11 13 38 o 59.47248 0.7875241 35.37186       0.9358895 36.11039       1.357651  34.70315       1.291891  1.180305       1.575048  
1 1 1 -11 13 39 o 64.74010 0.8261657 40.44267       1.043387  48.90091       1.723529  35.54968       1.310889  10.29174       1.652331  
1 1 1 -11 13 40 o 12.59936 1.190614  1.584805       0.2991220 1.678052       0.4444382 1.507589       0.4044313 0.6733036      2.381228  
1 1 1 -11 13 41 o 42.74253 0.7153258 18.06375       0.6074303 15.62990       0.8121330 21.15411       0.9151333 -6.457043      1.430652  
1 1 1 -11 13 42 o 98.24435 1.116381  96.78026       2.193543  96.24091       3.095858  97.32397       3.108456  -0.5501251     2.232761  
1 1 1 -11 13 43 o 25.49796 0.7800955 6.347941       0.3927628 7.695184       0.6161146 5.425627       0.5097742 4.443428       1.560191  
1 1 1 -11 13 44 o 73.15138 0.9022555 53.45693       1.316617  55.90855       1.947932  51.39488       1.786481  3.071373       1.804511  
1 1 1 -11 13 45 o 55.42780 0.7820389 30.62655       0.8637706 32.49072       1.290015  29.11152       1.162954  3.037918       1.564078  
1 1 1 -11 13 46 o 17.00577 1.042157  2.859143       0.3518119 3.350954       0.5351608 2.484834       0.4668751 2.538712       2.084313  
1 1 1 -11 13 47 o 53.35539 0.7881655 28.53752       0.8406642 28.16441       1.202646  28.89403       1.175573  -0.6862946     1.576331  
1 1 1 -11 13 48 o 20.57998 1.276498  4.211370       0.5117661 4.475502       0.8339746 4.051831       0.6481494 0.9983559      2.552996  
1 1 1 -11 13 49 o 27.68729 1.170814  7.581894       0.6381990 8.393352       1.013787  7.049221       0.8213795 2.396580       2.341629  
1 1 1 -11 13 50 o 85.01268 1.251833  72.30962       2.008681  71.45647       2.456299  74.03198       3.490026  -1.328888      2.503667  
1 1 1 -11 13 51 o 47.44978 0.7885075 22.58448       0.7479207 22.19440       1.068734  22.95888       1.047039  -0.8081703     1.577015  
1 1 1 -11 13 52 o 36.02862 0.7894140 12.94361       0.5665048 13.84503       0.8491530 12.22062       0.7604791 2.242237       1.578828  
1 1 1 -11 13 53 o 8.048369 1.673761  0.4181992      0.3567956 1.316455       0.5430647 -0.2640192     0.4732744 6.245083       3.347521  
1 1 1 -11 13 54 o 31.06782 0.8537542 9.605088       0.5279508 10.58340       0.7954155 8.834688       0.7058530 2.800045       1.707508  
1 1 1 -11 13 55 f 16.36717 1.532037  2.648121       0.4919856 2.396312       0.6266541 3.052717       0.7943323 -1.953869      3.064075  
1 1 1 -11 13 56 o 29.74166 1.777067  8.933744       1.057059  8.933744       1.057059  ?              ?         ?              ?         
1 1 1 -11 13 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 14 1  o 99.43585 1.100529  97.14157       2.159116  88.89255       2.790497  109.4469       3.408210  -10.32990      2.201058  
1 1 1 -11 14 2  o 103.2703 1.130867  106.1621       2.326879  112.4040       3.477746  101.1031       3.130920  5.468323       2.261733  
1 1 1 -11 14 3  o 181.3432 1.909496  328.8110       6.919893  336.5673       10.03049  321.7668       9.558947  4.073578       3.818993  
1 1 1 -11 14 4  f 87.94843 0.9862003 76.17213       1.714434  85.02737       2.683749  70.06686       2.228402  8.501686       1.972401  
1 1 1 -11 14 5  o 96.94710 1.294052  94.48209       2.394646  92.47191       4.021209  95.58665       2.980817  -1.617012      2.588103  
1 1 1 -11 14 6  f 69.29724 1.051136  45.57295       1.361593  54.92767       2.494089  41.60114       1.625138  9.608177       2.102272  
1 1 1 -11 14 7  f 258.8669 5.404793  672.3524       27.98244  672.3524       27.98244  ?              ?         ?              ?         
1 1 1 -11 14 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 14 9  o 296.5125 8.817723  887.2070       52.29129  887.2070       52.29129  ?              ?         ?              ?         
1 1 1 -11 14 10 o 186.1255 3.934639  347.0686       14.64673  347.0686       14.64673  ?              ?         ?              ?         
1 1 1 -11 14 11 o 67.07301 1.172350  44.80271       1.567749  42.60841       2.117788  47.46315       2.331910  -3.616829      2.344699  
1 1 1 -11 14 12 o 68.87872 1.032211  45.33025       1.265253  52.12570       2.505766  43.00476       1.465844  6.611641       2.064422  
1 1 1 -11 14 13 o 25.90831 0.6095672 6.704140       0.3155046 6.892358       0.4593778 6.536083       0.4340781 0.6874294      1.219134  
1 1 1 -11 14 14 o 194.6971 2.047334  379.1329       7.966007  371.1822       11.00890  387.8710       11.54121  -4.275864      4.094668  
1 1 1 -11 14 15 o 41.59627 0.6284778 17.01716       0.5181121 19.55620       0.8009306 15.19012       0.6794150 5.247444       1.256956  
1 1 1 -11 14 16 o 192.2167 2.022720  369.8764       7.775837  368.5771       10.95311  371.1966       11.04080  -0.6796875     4.045441  
1 1 1 -11 14 17 o 121.7026 1.316489  148.1638       3.203944  146.8177       4.485975  149.5654       4.577535  -1.127632      2.632977  
1 1 1 -11 14 18 o 90.57477 1.018464  81.93797       1.842769  84.53044       2.685948  79.63250       2.532917  2.702171       2.036927  
1 1 1 -11 14 19 o 33.89729 0.6291607 11.35247       0.4234449 9.687567       0.5671402 13.44971       0.6365318 -5.548859      1.258321  
1 1 1 -11 14 20 o 93.58159 1.047945  87.31868       1.956593  83.72840       2.657130  91.57121       2.891826  -4.187584      2.095890  
1 1 1 -11 14 21 o 14.18605 0.8943214 2.004963       0.2530732 2.121277       0.3748283 1.907522       0.3430750 0.7530613      1.788643  
1 1 1 -11 14 22 o 192.6718 2.029552  371.7684       7.820559  373.1651       11.10648  370.3949       11.01398  0.7164612      4.059104  
1 1 1 -11 14 23 o 92.35730 1.039242  85.25811       1.918236  87.27934       2.777283  83.41431       2.652600  2.090584       2.078483  
1 1 1 -11 14 24 o 186.6591 1.970016  349.0103       7.354373  349.7507       10.42525  348.2769       10.37622  0.3932648      3.940032  
1 1 1 -11 14 25 f 89.61237 1.016459  80.34023       1.821703  80.62814       2.587008  80.05704       2.565677  0.3182907      2.032919  
1 1 1 -11 14 26 o 199.1787 2.098222  397.6181       8.358278  398.8733       11.86190  396.3804       11.77932  0.6226044      4.196443  
1 1 1 -11 14 27 o 42.05350 0.6723538 17.57769       0.5636984 16.05587       0.7633513 19.40281       0.8359685 -3.978352      1.344708  
1 1 1 -11 14 28 o 344.9749 3.613934  1199.575       24.92143  1179.438       34.58665  1221.320       35.94077  -5.956543      7.227867  
1 1 1 -11 14 29 o 63.05240 0.8002962 38.91230       0.9952688 34.86040       1.283907  45.01337       1.575462  -8.045124      1.600592  
1 1 1 -11 14 30 o 138.7788 1.492643  192.9346       4.142528  191.1983       5.808702  194.7316       5.909434  -1.268494      2.985285  
1 1 1 -11 14 31 o 121.5849 1.323905  148.0648       3.219219  147.2742       4.529260  148.8719       4.576433  -0.6549530     2.647810  
1 1 1 -11 14 32 o 84.05542 0.9695477 70.71478       1.629783  71.04029       2.321843  70.39861       2.288247  0.3805618      1.939095  
1 1 1 -11 14 33 o 85.38901 0.9853681 71.95270       1.665511  66.17455       2.174620  80.15106       2.590314  -8.167152      1.970736  
1 1 1 -11 14 34 o 52.74530 0.7244490 27.57271       0.7593728 30.17205       1.156114  25.60035       1.007076  4.328892       1.448898  
1 1 1 -11 14 35 f 125.1110 1.365067  156.8930       3.415252  155.3999       4.783481  158.4454       4.877688  -1.210983      2.730134  
1 1 1 -11 14 36 o 94.66336 1.075572  89.75578       2.036099  90.17571       2.904956  89.35026       2.854661  0.4332199      2.151143  
1 1 1 -11 14 37 o 88.44873 1.019313  78.35172       1.803079  77.62557       2.538143  79.09151       2.561901  -0.8273773     2.038625  
1 1 1 -11 14 38 o 21.95342 0.8148311 4.892674       0.3516310 3.907691       0.5024310 5.838286       0.4922870 -4.397501      1.629662  
1 1 1 -11 14 39 o 96.41080 1.095794  93.15244       2.112597  93.78375       3.018546  92.54629       2.957710  0.6372528      2.191588  
1 1 1 -11 14 40 o 56.90816 0.9019881 32.20050       1.022815  29.47639       1.378184  35.54051       1.526049  -5.318649      1.803976  
1 1 1 -11 14 41 o 84.67229 0.9945639 71.80895       1.683132  72.91753       2.432055  70.78996       2.331729  1.248596       1.989128  
1 1 1 -11 14 42 o 46.26137 0.7321208 21.15751       0.6719297 23.56328       1.033428  19.39561       0.8843890 4.495205       1.464242  
1 1 1 -11 14 43 o 31.76678 0.7414232 10.15885       0.4685923 9.293017       0.6774372 10.95319       0.6488650 -2.615053      1.482846  
1 1 1 -11 14 44 o 8.263376 1.689090  0.7093338      0.3058493 0.4469365      0.4602467 0.9168497      0.4092952 -2.183015      3.378181  
1 1 1 -11 14 45 o 25.84673 0.9808108 6.426458       0.4681154 7.411787       0.8705534 6.025670       0.5552165 2.647699       1.961622  
1 1 1 -11 14 46 o 30.69129 1.062950  9.274389       0.6450244 10.68281       1.009699  8.303315       0.8384025 3.854713       2.125900  
1 1 1 -11 14 47 o 69.63950 1.256164  48.74674       1.746795  49.31501       2.549504  48.24396       2.398124  0.7442780      2.512327  
1 1 1 -11 14 48 o 82.04972 0.9939361 67.56404       1.630521  68.08829       2.339458  67.06882       2.273756  0.6123657      1.987872  
1 1 1 -11 14 49 o 59.35085 0.8332791 35.32242       0.9888488 34.20829       1.391237  36.45995       1.405763  -1.895157      1.666558  
1 1 1 -11 14 50 o 80.01425 0.9847823 64.23261       1.574650  65.53498       2.281824  63.04852       2.175745  1.538124       1.969565  
1 1 1 -11 14 51 o 26.56120 0.8963456 7.191552       0.4687285 6.023842       0.6840457 8.225157       0.6435688 -4.149929      1.792691  
1 1 1 -11 14 52 o 19.86393 1.056198  3.995486       0.4127680 3.802299       0.6355116 4.136451       0.5428607 -0.8582363     2.112396  
1 1 1 -11 14 53 o 8.890013 1.861077  0.7478701      0.3606946 1.174616       0.5717352 0.4657288      0.4648828 3.297127       3.722153  
1 1 1 -11 14 54 o 15.17305 1.666997  2.367899       0.4661322 1.341449       0.6217777 3.685021       0.7043351 -7.864628      3.333994  
1 1 1 -11 14 55 f 79.05190 1.233850  62.95382       1.846537  62.69612       2.269614  63.45839       3.175815  -0.2424469     2.467700  
1 1 1 -11 14 56 o 17.73247 2.524892  3.206985       0.8954512 3.206985       0.8954512 ?              ?         ?              ?         
1 1 1 -11 14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 14 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 15 1  o 276.0255 2.881188  763.5381       15.90538  761.2974       22.42000  765.8083       22.56795  -0.8132019     5.762375  
1 1 1 -11 15 2  o 130.3255 1.692851  171.8951       4.267136  162.1260       6.879111  178.0050       5.440263  -6.114090      3.385701  
1 1 1 -11 15 3  o 303.1732 4.474594  923.4676       27.12071  938.2231       39.01855  909.6755       37.72320  4.655212       8.949188  
1 1 1 -11 15 4  o 189.6088 2.812771  360.2388       10.66629  358.8862       15.02468  361.6130       15.14486  -0.7159729     5.625542  
1 1 1 -11 15 5  o 250.0633 3.694230  627.0408       18.46373  615.1663       25.56490  639.9885       26.69506  -4.925125      7.388461  
1 1 1 -11 15 6  o 96.30380 1.300045  91.55072       2.331361  89.48439       2.807078  96.14522       4.185756  -3.442085      2.600091  
1 1 1 -11 15 7  o 119.2799 1.291573  139.6490       3.033944  157.4030       4.824130  128.0319       3.902290  12.30090       2.583147  
1 1 1 -11 15 8  o 154.9193 1.644901  240.1135       5.095569  242.8687       7.292034  237.4844       7.123373  1.735229       3.289802  
1 1 1 -11 15 9  f 190.5748 2.005326  362.3063       7.620680  379.3105       11.30986  348.1663       10.31347  8.152573       4.010653  
1 1 1 -11 15 10 o 109.4995 1.713444  119.9110       3.750300  122.3755       5.414456  117.6382       5.199523  2.159737       3.426888  
1 1 1 -11 15 11 o 254.9451 2.665166  649.7496       13.56316  673.8152       19.93629  629.0134       18.50589  8.750015       5.330331  
1 1 1 -11 15 12 o 82.56776 1.165839  69.11221       1.837719  71.42021       2.301698  65.05379       3.052169  3.863716       2.331678  
1 1 1 -11 15 13 o 262.9331 3.900406  694.1772       20.50681  702.0216       29.35465  686.7000       28.65985  2.886292       7.800813  
1 1 1 -11 15 14 o 184.1643 2.760964  339.3009       10.15407  350.7820       14.85825  329.2402       13.90878  5.821259       5.521927  
1 1 1 -11 15 15 o 116.1715 1.805651  134.9923       4.193137  138.0508       6.049430  132.1640       5.817358  2.529198       3.611302  
1 1 1 -11 15 16 o 93.73090 1.505955  86.89346       2.798815  95.54411       4.314222  80.60690       3.677769  7.957603       3.011910  
1 1 1 -11 15 17 o 219.5198 2.826952  482.9317       11.68507  483.6854       20.29834  482.5581       14.29043  0.6745911E-01  5.653903  
1 1 1 -11 15 18 o 52.05968 0.7889355 24.67429       0.7551152 33.45979       1.453074  21.42397       0.8838281 11.55433       1.577871  
1 1 1 -11 15 19 o 185.4083 1.956050  343.6823       7.243741  334.3198       9.942148  354.2757       10.57556  -5.366196      3.912101  
1 1 1 -11 15 20 f 184.7863 1.950826  341.7173       7.205512  335.3699       9.987592  348.6071       10.40552  -3.570740      3.901653  
1 1 1 -11 15 21 o 66.06477 0.8121347 42.93061       1.061496  38.97322       1.382822  48.60790       1.656277  -7.288536      1.624269  
1 1 1 -11 15 22 f 56.70333 0.7393726 32.15332       0.8382894 32.46758       1.201246  31.85498       1.170396  0.5398178      1.478745  
1 1 1 -11 15 23 o 86.06911 0.9825634 73.44085       1.680215  68.62148       2.226573  79.81499       2.560667  -6.497185      1.965127  
1 1 1 -11 15 24 o 159.2223 1.696358  253.6637       5.397523  248.4715       7.455359  259.3827       7.824516  -3.414886      3.392716  
1 1 1 -11 15 25 o 76.82870 0.9022523 58.89790       1.383645  61.46474       2.035671  56.69373       1.886384  3.102127       1.804505  
1 1 1 -11 15 26 o 157.3661 1.676222  248.0361       5.274638  245.3005       7.374865  250.9010       7.547043  -1.772827      3.352443  
1 1 1 -11 15 27 o 87.45434 0.9973696 75.91660       1.733554  81.90936       2.635654  71.34737       2.301425  6.030121       1.994739  
1 1 1 -11 15 28 o 15.75629 0.8764518 2.452306       0.2743936 2.799230       0.4172389 2.187917       0.3642403 1.938553       1.752904  
1 1 1 -11 15 29 o 90.36797 1.024855  81.62578       1.850224  84.10538       2.694324  79.41296       2.545259  2.591339       2.049711  
1 1 1 -11 15 30 o 85.14047 0.9798388 72.15424       1.662020  68.24333       2.234091  77.00120       2.487119  -5.134727      1.959678  
1 1 1 -11 15 31 o 25.64298 0.6779177 6.548140       0.3466817 6.981847       0.5146612 6.187873       0.4690682 1.546959       1.355835  
1 1 1 -11 15 32 o 43.69307 0.6775995 18.90280       0.5886576 20.99279       0.8934885 17.29986       0.7824863 4.222694       1.355199  
1 1 1 -11 15 33 o 86.22545 0.9928755 74.43594       1.712135  73.70966       2.406595  75.18028       2.436327  -0.8514252     1.985751  
1 1 1 -11 15 34 o 125.3916 1.366869  157.4385       3.424561  153.3825       4.719353  161.9495       4.977036  -3.398903      2.733738  
1 1 1 -11 15 35 o 42.47865 0.6895174 18.05000       0.5852113 18.21222       0.8484418 17.90278       0.8082480 0.3627701      1.379035  
1 1 1 -11 15 36 o 123.3304 1.350235  152.4010       3.327923  155.8105       4.820964  149.2974       4.599622  2.624023       2.700470  
1 1 1 -11 15 37 o 44.20643 0.6995144 19.55817       0.6175344 19.56341       0.8982924 19.55347       0.8503310 0.9220123E-02  1.399029  
1 1 1 -11 15 38 o 43.38393 0.7059803 18.68353       0.6092423 20.32342       0.9220865 17.41297       0.8116399 3.348885       1.411961  
1 1 1 -11 15 39 o 67.34555 1.213600  44.93268       1.622575  41.09891       2.141633  50.09857       2.486022  -6.652275      2.427200  
1 1 1 -11 15 40 o 50.43494 0.7453731 25.46339       0.7513215 25.60178       1.084520  25.33569       1.041824  0.2612648      1.490746  
1 1 1 -11 15 41 o 37.20647 0.7178590 13.88948       0.5330101 13.25330       0.7677823 14.48132       0.7405359 -1.651951      1.435718  
1 1 1 -11 15 42 o 61.64693 1.002343  38.00230       1.153507  38.39920       2.041923  37.81628       1.397933  0.4118385      2.004685  
1 1 1 -11 15 43 o 57.87804 1.117828  32.31543       1.259525  39.39465       2.095179  28.30937       1.576114  9.515602       2.235656  
1 1 1 -11 15 44 o 9.133690 2.046660  0.8465599      0.4229782 0.5744390      0.6948159 1.006784       0.5331531 -1.364198      4.093321  
1 1 1 -11 15 45 o 9.284342 1.606710  0.9377702      0.3320235 0.2786993      0.5152516 1.405778       0.4341902 -5.077075      3.213420  
1 1 1 -11 15 46 o 21.74671 0.9057158 4.796831       0.3872510 4.413907       0.5911737 5.084640       0.5125204 -1.551319      1.811432  
1 1 1 -11 15 47 o 23.25502 0.8820760 5.252571       0.4024767 6.337955       0.6511790 4.581627       0.5119786 3.759493       1.764152  
1 1 1 -11 15 48 o 30.09374 0.8051758 8.968300       0.4800473 9.876741       0.7430161 8.317402       0.6289349 2.577559       1.610352  
1 1 1 -11 15 49 o 45.93630 0.7785110 20.95228       0.7102803 22.83991       1.084720  19.53542       0.9397755 3.580017       1.557022  
1 1 1 -11 15 50 o 49.03152 0.7972103 24.13291       0.7802969 23.77349       1.134171  24.45592       1.075202  -0.7038002     1.594421  
1 1 1 -11 15 51 o 7.591567 1.906086  0.5108660      0.3591481 0.4744622      0.5677913 0.5351453      0.4636973 0.9926176E-01  3.812171  
1 1 1 -11 15 52 o 23.44243 0.9907907 5.615397       0.4567132 4.689152       0.6688949 6.424340       0.6251062 -3.708710      1.981581  
1 1 1 -11 15 53 o 81.10095 1.008183  66.05310       1.634066  63.62791       2.258703  68.71629       2.366933  -3.115486      2.016366  
1 1 1 -11 15 54 o 55.74190 0.8507380 31.19829       0.9473479 31.36732       1.374711  31.04543       1.307331  0.2766075      1.701476  
1 1 1 -11 15 55 o 18.48426 1.546280  3.547181       0.5459372 3.771224       0.6910660 3.175223       0.8904302 1.678646       3.092560  
1 1 1 -11 15 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 15 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 16 1  o 202.9401 3.007730  412.9526       12.20743  411.3373       17.18612  414.5975       17.34276  -0.7982330     6.015460  
1 1 1 -11 16 2  o 77.93182 1.238487  60.43203       1.922957  64.41862       2.876563  57.21115       2.585593  4.620415       2.476973  
1 1 1 -11 16 3  o 128.6795 1.695963  163.5419       4.050535  159.9982       4.864503  171.5542       7.314516  -4.447327      3.391925  
1 1 1 -11 16 4  o 109.5208 1.197687  119.3331       2.612041  113.3026       3.502735  126.8875       3.920423  -6.196724      2.395374  
1 1 1 -11 16 5  o 176.0494 1.859432  310.1391       6.544996  314.4445       9.397157  306.0832       9.121059  2.369354       3.718864  
1 1 1 -11 16 6  f 43.91265 0.6422004 18.96150       0.5588174 21.79889       0.8646415 16.92614       0.7323145 5.547340       1.284401  
1 1 1 -11 16 7  o 258.2336 2.700617  668.2148       13.94617  663.5862       19.54797  673.0127       19.90253  -1.815155      5.401235  
1 1 1 -11 16 8  o 32.72051 0.6151189 10.69782       0.4021901 10.08553       0.5604039 11.34814       0.5775489 -1.929277      1.230238  
1 1 1 -11 16 9  o 125.1028 1.927961  156.6830       4.823864  156.9055       6.827598  156.4613       6.816364  0.1772690      3.855922  
1 1 1 -11 16 10 o 138.2684 1.480951  191.2869       4.094980  189.7305       5.743433  192.8961       5.840130  -1.143188      2.961901  
1 1 1 -11 16 11 o 120.2037 1.303097  144.4557       3.130849  141.5864       4.337877  147.5755       4.523322  -2.488556      2.606193  
1 1 1 -11 16 12 o 184.3676 1.944707  340.0206       7.165411  347.6610       10.37734  333.0585       9.905930  3.949921       3.889413  
1 1 1 -11 16 13 o 235.6232 2.471359  555.3239       11.62852  540.0366       15.93071  572.7591       17.01302  -6.913300      4.942719  
1 1 1 -11 16 14 o 124.3371 1.345165  154.2466       3.337312  148.5838       4.537580  160.9194       4.925605  -4.954460      2.690330  
1 1 1 -11 16 15 f 183.5409 1.937542  335.9352       7.087517  321.9316       9.557582  353.0446       10.56440  -8.451996      3.875085  
1 1 1 -11 16 16 o 195.4106 2.057710  382.2473       8.038550  376.2254       11.17481  388.7049       11.57204  -3.182648      4.115420  
1 1 1 -11 16 17 o 205.5993 2.162915  422.3282       8.873534  439.7711       13.09021  407.4983       12.06993  7.818130       4.325829  
1 1 1 -11 16 18 o 132.7938 1.755004  177.3417       4.412935  178.9995       5.441345  174.1562       7.542900  1.877563       3.510007  
1 1 1 -11 16 19 o 225.2961 3.356991  509.7762       15.11734  500.6292       20.95219  519.7086       21.83331  -4.187820      6.713982  
1 1 1 -11 16 20 o 212.5442 3.172790  453.6981       13.48351  459.9046       19.34038  447.8287       18.80791  2.813293       6.345579  
1 1 1 -11 16 21 o 125.2352 1.931233  156.9760       4.833368  153.5602       6.678392  160.7331       7.004062  -2.852852      3.862466  
1 1 1 -11 16 22 o 113.2929 1.766300  128.4859       3.999926  126.1155       5.546062  131.0554       5.774339  -2.172264      3.532601  
1 1 1 -11 16 23 o 49.12640 0.8747550 23.50799       0.7809222 25.66642       1.477344  22.67102       0.9199532 3.038231       1.749510  
1 1 1 -11 16 24 o 215.3016 2.753486  471.3486       11.42587  444.4712       18.56912  487.7251       14.49468  -10.30261      5.506971  
1 1 1 -11 16 25 o 194.7564 2.055857  380.3066       8.005131  374.8380       11.14874  386.1267       11.50143  -2.879608      4.111715  
1 1 1 -11 16 26 o 105.2056 1.164087  110.2851       2.440633  105.0214       3.288016  116.7440       3.642255  -5.559349      2.328173  
1 1 1 -11 16 27 f 32.60662 0.6473972 10.64228       0.4219069 10.24263       0.5986400 11.03672       0.5947123 -1.217768      1.294794  
1 1 1 -11 16 28 o 148.4841 1.590149  220.9002       4.720409  217.3155       6.566520  224.7336       6.790446  -2.485901      3.180297  
1 1 1 -11 16 29 o 72.29346 0.8708118 52.21898       1.257851  50.42245       1.732638  54.22092       1.829012  -2.624046      1.741624  
1 1 1 -11 16 30 o 87.97009 1.006185  77.47553       1.770211  76.83334       2.489733  78.13208       2.517409  -0.7369843     2.012370  
1 1 1 -11 16 31 o 46.29454 0.6910523 21.24651       0.6368719 19.10951       0.8546575 23.91490       0.9550229 -5.186897      1.382105  
1 1 1 -11 16 32 o 41.08644 0.6687185 16.89234       0.5493250 16.84013       0.7863588 16.94209       0.7677028 -0.1246719     1.337437  
1 1 1 -11 16 33 o 83.99968 0.9761588 70.28329       1.633285  74.65571       2.446523  66.76777       2.193727  4.682610       1.952318  
1 1 1 -11 16 34 o 23.66390 0.9986641 5.599722       0.4672775 5.664970       0.7188647 5.551980       0.6149069 0.2331486      1.997328  
1 1 1 -11 16 35 o 153.3741 1.647167  236.2624       5.052650  236.1280       7.149688  236.3964       7.141374  -0.8825684E-01 3.294334  
1 1 1 -11 16 36 o 29.07709 0.7077277 8.244534       0.4052118 9.737600       0.6461667 7.276815       0.5202107 4.225763       1.415455  
1 1 1 -11 16 37 o 98.24022 1.115800  96.73405       2.191997  97.63130       3.132554  95.87319       3.068348  0.8897629      2.231601  
1 1 1 -11 16 38 o 32.40467 0.7181081 10.54763       0.4615667 8.902409       0.6468509 12.25432       0.6588217 -5.171333      1.436216  
1 1 1 -11 16 39 f 19.63249 1.005026  3.899736       0.3738217 3.747807       0.6345151 3.980503       0.4626352 -0.6064758     2.010053  
1 1 1 -11 16 40 o 32.22692 1.009059  10.50693       0.6444042 9.359734       0.9410579 11.51978       0.8842434 -3.356300      2.018118  
1 1 1 -11 16 41 o 51.89930 1.056684  26.78425       1.086930  28.70567       1.674174  25.38426       1.429065  3.174332       2.113369  
1 1 1 -11 16 42 o 78.59204 1.147066  62.73108       1.745393  65.10091       2.230463  58.98766       2.803309  3.957283       2.294132  
1 1 1 -11 16 43 o 72.50639 0.9061106 52.70929       1.313919  52.12793       1.857767  53.29111       1.858557  -0.8020401     1.812221  
1 1 1 -11 16 44 o 55.62384 0.7937571 30.85213       0.8793775 32.63891       1.317498  29.41656       1.180934  2.883450       1.587514  
1 1 1 -11 16 45 o 48.93149 0.7693164 23.97373       0.7518698 22.28574       1.047449  25.76795       1.079903  -3.554989      1.538633  
1 1 1 -11 16 46 o 87.07392 1.035967  76.09130       1.803027  77.24857       2.603013  75.02395       2.499844  1.262878       2.071934  
1 1 1 -11 16 47 o 22.57825 0.9296047 4.934770       0.4107543 6.662776       0.6477287 3.772453       0.5312301 6.385149       1.859209  
1 1 1 -11 16 48 o 75.83877 0.9490919 57.67717       1.437804  58.82015       2.093750  56.65717       1.977915  1.409653       1.898184  
1 1 1 -11 16 49 o 40.34417 0.7896771 16.24310       0.6335803 13.96897       0.8659228 18.86335       0.9294861 -6.057381      1.579354  
1 1 1 -11 16 50 o 5.786705 1.721290  0.1790573E-01  0.3485836 -0.3061322     0.5501723 0.2352268      0.4505590 -0.9593887     3.442580  
1 1 1 -11 16 51 o 11.93769 1.612732  1.415298       0.3730552 1.930791       0.5879881 1.067983       0.4826349 3.755662       3.225464  
1 1 1 -11 16 52 o 28.67896 0.8908344 8.353814       0.5043955 7.530110       0.7526079 9.025479       0.6796104 -2.619778      1.781669  
1 1 1 -11 16 53 f 24.85128 0.9731306 6.290584       0.4748271 5.724319       0.7251633 6.715583       0.6282327 -2.013861      1.946261  
1 1 1 -11 16 54 o 43.75826 1.028937  18.80275       0.8555725 17.83579       1.044735  20.77182       1.490848  -3.253826      2.057875  
1 1 1 -11 16 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 17 1  o 133.7657 1.434855  179.0594       3.838685  179.3070       5.433095  178.8125       5.424357  0.1846619      2.869710  
1 1 1 -11 17 2  o 81.24312 0.9317412 65.83205       1.510764  68.87582       2.225920  63.23236       2.057134  3.471306       1.863482  
1 1 1 -11 17 3  o 85.76292 0.9732180 73.01389       1.659959  78.73846       2.514052  68.58923       2.210255  5.913490       1.946436  
1 1 1 -11 17 4  o 187.4395 1.975638  351.4357       7.399729  343.7141       10.21172  359.9733       10.73767  -4.324829      3.951276  
1 1 1 -11 17 5  o 197.9114 2.082670  390.8343       8.218181  375.2815       11.11164  409.6150       12.21043  -8.646759      4.165340  
1 1 1 -11 17 6  f 247.0355 2.585580  611.3322       12.76887  601.9694       17.74397  621.3884       18.38911  -3.910553      5.171160  
1 1 1 -11 17 7  o 189.2018 2.834860  357.7344       10.69672  374.3942       15.86000  343.8326       14.48785  8.029739       5.669719  
1 1 1 -11 17 8  o 167.1525 1.770418  279.5660       5.916218  284.1997       8.512748  275.2371       8.228104  2.674820       3.540837  
1 1 1 -11 17 9  o 86.89680 0.9857275 75.50990       1.712729  74.37820       2.390749  76.70309       2.454851  -1.336952      1.971455  
1 1 1 -11 17 10 f 338.0583 3.527390  1147.485       23.84165  1164.181       34.23919  1131.770       33.21835  4.748169       7.054780  
1 1 1 -11 17 11 o 113.3667 1.239963  128.1898       2.804460  134.0949       4.145492  123.2066       3.808159  4.796799       2.479926  
1 1 1 -11 17 12 o 229.5870 2.407197  528.1984       11.05173  532.7805       15.78464  523.7922       15.47885  1.947479       4.814394  
1 1 1 -11 17 13 o 192.5840 2.030971  371.5033       7.822647  371.7762       11.06543  371.2307       11.06036  0.1414948      4.061941  
1 1 1 -11 17 14 o 154.8551 1.649035  239.9807       5.105521  236.5434       7.110808  243.6382       7.335006  -2.285217      3.298069  
1 1 1 -11 17 15 o 375.6459 3.924104  1420.515       29.47821  1409.487       41.32388  1431.942       42.06292  -2.943573      7.848209  
1 1 1 -11 17 16 o 262.3827 2.746490  690.0696       14.39933  674.6980       19.86064  707.1036       20.90710  -6.129089      5.492980  
1 1 1 -11 17 17 o 158.2445 1.686379  249.7308       5.319683  262.7935       7.918232  238.9847       7.181888  7.502197       3.372758  
1 1 1 -11 17 18 o 176.9280 1.872552  312.7614       6.611593  301.9307       8.999894  325.4596       9.744887  -6.624603      3.745104  
1 1 1 -11 17 19 o 141.7158 1.518704  200.4199       4.292649  209.7312       6.360051  192.6291       5.817598  6.017914       3.037408  
1 1 1 -11 17 20 o 61.25090 0.7757466 37.51435       0.9500868 36.76348       1.326539  38.30518       1.361390  -1.257931      1.551493  
1 1 1 -11 17 21 o 62.34934 0.7817768 38.62452       0.9707955 36.10147       1.302149  41.78172       1.456626  -4.552425      1.563554  
1 1 1 -11 17 22 o 96.04297 1.078861  92.12883       2.069205  89.09605       2.833465  95.59438       3.028895  -3.377892      2.157722  
1 1 1 -11 17 23 o 167.3813 1.778455  279.9896       5.938478  269.6465       8.061360  292.2626       8.781303  -6.721359      3.556910  
1 1 1 -11 17 24 o 120.7676 1.617193  146.5350       3.689534  147.2865       4.533666  145.0611       6.348855  1.008186       3.234385  
1 1 1 -11 17 25 o 110.9218 1.523819  119.7846       3.059788  115.3127       3.594028  131.5625       5.832697  -7.215019      3.047639  
1 1 1 -11 17 26 o 70.89821 1.231260  50.33508       1.745758  50.04139       2.451610  50.63719       2.486508  -0.4187164     2.462519  
1 1 1 -11 17 27 o 106.9793 1.688896  114.1325       3.597450  108.3009       4.821190  121.4583       5.403605  -6.113365      3.377791  
1 1 1 -11 17 28 o 80.19952 1.345760  64.13403       2.150513  60.92867       2.893723  68.08819       3.213997  -4.445396      2.691519  
1 1 1 -11 17 29 o 121.7128 1.892176  148.1600       4.589694  141.5281       6.185496  156.2846       6.846305  -6.005806      3.784352  
1 1 1 -11 17 30 o 51.92764 1.057399  26.52364       1.087407  23.61279       1.421897  30.62441       1.687687  -6.738159      2.114797  
1 1 1 -11 17 31 o 122.9976 1.649654  152.0660       3.827459  151.2644       6.612587  152.4699       4.693622  -0.6461716     3.299308  
1 1 1 -11 17 32 o 34.67063 0.8599536 12.12922       0.5499916 11.78575       0.9855262 12.28457       0.6628046 -0.7338181     1.719907  
1 1 1 -11 17 33 o 40.09692 0.6929337 16.05908       0.5541672 16.48517       0.8188932 15.69910       0.7527052 0.9776764      1.385867  
1 1 1 -11 17 34 o 78.99383 0.9385064 61.89788       1.473386  57.46105       1.954454  67.73878       2.242481  -6.489075      1.877013  
1 1 1 -11 17 35 o 76.33276 0.9170716 58.22066       1.397213  60.48503       2.055929  56.27726       1.904647  2.746674       1.834143  
1 1 1 -11 17 36 o 54.46710 0.8286709 29.93795       0.8949461 27.42843       1.319481  32.07596       1.217903  -4.272228      1.657342  
1 1 1 -11 17 37 o 25.15445 1.022754  6.159340       0.5070342 7.717038       0.7972429 5.101359       0.6570339 5.188271       2.045508  
1 1 1 -11 17 38 o 62.46140 1.146223  39.14317       1.431617  38.48403       2.032026  39.79277       2.017277  -1.049061      2.292445  
1 1 1 -11 17 39 o 58.23026 0.9452840 34.47070       1.075345  36.58941       1.405211  31.47651       1.670499  4.412781       1.890568  
1 1 1 -11 17 40 o 80.13060 0.9618860 64.38223       1.541453  64.16788       2.188783  64.59316       2.171210  -0.2670898     1.923772  
1 1 1 -11 17 41 f 29.35558 0.7541235 8.420062       0.4364396 9.936161       0.6922759 7.419997       0.5622507 4.275267       1.508247  
1 1 1 -11 17 42 o 90.64948 1.058963  82.41325       1.919142  80.44338       2.668956  84.52219       2.761565  -2.238602      2.117926  
1 1 1 -11 17 43 o 92.10694 1.072354  85.17271       1.975186  85.38741       2.816912  84.96504       2.770339  0.2231445      2.144708  
1 1 1 -11 17 44 o 84.32246 1.009185  71.26925       1.700602  68.67882       2.349190  74.12141       2.465019  -3.211769      2.018369  
1 1 1 -11 17 45 f 67.13947 0.8783525 45.20939       1.179104  45.30195       1.688647  45.12134       1.647137  0.1295166      1.756705  
1 1 1 -11 17 46 o 49.67300 0.7843571 24.66025       0.7775556 22.53016       1.069806  27.04561       1.132095  -4.538078      1.568714  
1 1 1 -11 17 47 o 57.80892 0.8284277 33.49583       0.9561703 33.85549       1.396965  33.17883       1.311533  0.5746117      1.656855  
1 1 1 -11 17 48 o 26.29023 0.8976614 7.034282       0.4604463 5.226778       0.6469098 8.890188       0.6555143 -6.965971      1.795323  
1 1 1 -11 17 49 o 40.56693 0.7889696 16.48924       0.6382473 16.74370       0.9424760 16.27369       0.8674237 0.5688705      1.577939  
1 1 1 -11 17 50 o 21.89769 1.010022  4.921736       0.4325296 4.170759       0.6508936 5.515588       0.5788104 -3.083683      2.020044  
1 1 1 -11 17 51 o 45.56435 0.8144306 20.65928       0.7369269 22.29094       1.125320  19.43418       0.9750934 3.110729       1.628861  
1 1 1 -11 17 52 o 23.94656 1.002189  5.803433       0.4742266 5.519665       0.7187620 6.022187       0.6310765 -1.067463      2.004379  
1 1 1 -11 17 53 o 14.12673 1.727173  2.082017       0.4722503 2.239078       0.6426132 1.897593       0.6963435 1.456968       3.454346  
1 1 1 -11 17 54 o 34.58974 2.013670  12.12226       1.393046  12.12226       1.393046  ?              ?         ?              ?         
1 1 1 -11 17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 17 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 18 1  o 65.98424 0.8017156 43.52824       1.057544  42.80959       1.469600  44.30011       1.523018  -1.128777      1.603431  
1 1 1 -11 18 2  o 170.0685 1.801016  289.4419       6.122164  284.1348       8.482386  295.2125       8.845095  -3.246643      3.602032  
1 1 1 -11 18 3  o 122.1303 1.322776  148.8821       3.224015  143.7103       4.389491  154.9403       4.750806  -4.590149      2.645552  
1 1 1 -11 18 4  o 54.41084 0.7185984 29.29103       0.7768274 32.41803       1.184803  26.93313       1.028834  5.038525       1.437197  
1 1 1 -11 18 5  o 200.0587 2.105350  400.8432       8.420891  395.1359       11.72376  406.9259       12.10317  -2.934341      4.210701  
1 1 1 -11 18 6  f 33.38010 0.6894542 11.18719       0.4525532 11.38676       0.5913396 10.90508       0.7030807 0.7226906      1.378908  
1 1 1 -11 18 7  o 106.2432 1.169103  112.9061       2.483490  111.4322       3.463411  114.4662       3.563078  -1.426033      2.338206  
1 1 1 -11 18 8  o 75.60878 0.8938831 56.45857       1.339778  62.58998       2.068640  52.02833       1.758403  6.980049       1.787766  
1 1 1 -11 18 9  o 38.61497 0.6481009 14.73143       0.4972967 13.28397       0.6595658 16.63828       0.7570331 -4.342270      1.296202  
1 1 1 -11 18 10 o 93.73083 1.052367  87.39343       1.964188  93.13210       2.948899  82.81715       2.633366  5.497093       2.104734  
1 1 1 -11 18 11 o 150.8549 1.609467  226.3614       4.829693  241.5849       7.299233  214.5061       6.441361  8.952591       3.218934  
1 1 1 -11 18 12 o 225.5174 2.366958  509.7131       10.67207  517.4422       15.33734  502.4583       14.85918  3.303268       4.733916  
1 1 1 -11 18 13 o 356.1886 3.723152  1276.662       26.51145  1256.974       36.85245  1297.780       38.16785  -5.643585      7.446304  
1 1 1 -11 18 14 o 197.6401 2.083109  391.4901       8.234081  390.9395       11.62503  392.0443       11.66457  -0.2779846     4.166217  
1 1 1 -11 18 15 o 210.7276 2.216991  445.1564       9.341574  440.1105       13.04852  450.4618       13.37966  -2.441681      4.433981  
1 1 1 -11 18 16 o 87.40668 0.9964290 76.30203       1.739425  73.92232       2.384449  79.00881       2.543041  -2.906349      1.992858  
1 1 1 -11 18 17 o 114.0075 1.247364  129.1801       2.828196  121.9447       3.766897  138.5283       4.281727  -7.258774      2.494728  
1 1 1 -11 18 18 o 158.1098 1.685292  249.6998       5.315919  240.4378       7.218381  260.6758       7.857964  -6.374893      3.370583  
1 1 1 -11 18 19 o 70.85651 0.8503608 50.08424       1.202716  47.98485       1.639527  52.53030       1.769719  -3.204773      1.700722  
1 1 1 -11 18 20 o 51.89235 0.7065496 26.79980       0.7308452 28.60520       1.089268  25.32162       0.9856282 3.161873       1.413099  
1 1 1 -11 18 21 f 25.95861 0.6722506 6.736372       0.3453011 5.484434       0.4759929 8.127068       0.5016778 -5.089582      1.344501  
1 1 1 -11 18 22 o 41.84376 0.6591229 17.41665       0.5499393 15.79838       0.7478648 19.32197       0.8114885 -4.209068      1.318246  
1 1 1 -11 18 23 o 22.76454 0.7025658 5.165946       0.3186923 5.392721       0.4752926 4.980708       0.4295662 0.9038696      1.405132  
1 1 1 -11 18 24 o 95.32807 1.073169  90.51982       2.038427  85.99634       2.743027  96.09887       3.046308  -5.287506      2.146337  
1 1 1 -11 18 25 o 95.08611 1.071674  90.51662       2.037807  91.17391       2.907175  89.88171       2.857263  0.6774368      2.143348  
1 1 1 -11 18 26 o 76.74376 0.9089743 58.76117       1.391834  61.67144       2.056360  56.30077       1.890752  3.492592       1.817949  
1 1 1 -11 18 27 f 60.96755 0.7785905 37.17245       0.9487904 37.92251       1.370870  36.48283       1.314490  1.178719       1.557181  
1 1 1 -11 18 28 o 88.17255 1.011405  76.88023       1.766570  84.70657       2.735738  71.28284       2.313600  7.592117       2.022810  
1 1 1 -11 18 29 o 24.16142 0.7075651 5.819622       0.3407664 6.101541       0.5073249 5.587868       0.4599793 1.061327       1.415130  
1 1 1 -11 18 30 o 46.87022 0.7037114 21.93771       0.6589419 20.71923       0.9089757 23.28726       0.9566177 -2.737736      1.407423  
1 1 1 -11 18 31 o 55.43484 1.038751  30.78589       1.151449  30.12410       1.629094  31.44654       1.627696  -1.192867      2.077502  
1 1 1 -11 18 32 o 43.36736 0.6996327 18.82074       0.6065249 18.88113       0.8722175 18.76419       0.8439903 0.1336632      1.399265  
1 1 1 -11 18 33 o 53.15726 0.9921975 27.41606       1.008372  25.46639       1.235605  31.30392       1.744838  -5.457226      1.984395  
1 1 1 -11 18 34 o 36.59979 1.407642  13.42180       1.030388  13.42180       1.030388  ?              ?         ?              ?         
1 1 1 -11 18 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 18 36 o 24.77409 1.651077  6.156814       0.8180787 6.156814       0.8180787 ?              ?         ?              ?         
1 1 1 -11 18 37 o 30.11312 1.087256  9.103456       0.6528013 8.971704       0.9577678 9.217768       0.8921246 -0.4147606     2.174512  
1 1 1 -11 18 38 o 41.72180 1.035805  17.41327       0.8625100 15.90666       1.189913  19.08120       1.252000  -3.798233      2.071610  
1 1 1 -11 18 39 o 29.65035 1.075457  8.825212       0.6362158 8.765179       0.9309636 8.877819       0.8714702 -0.1966152     2.150914  
1 1 1 -11 18 40 o 26.83582 1.177020  7.293781       0.6168903 5.400117       0.8570887 9.329217       0.8885931 -7.316698      2.354040  
1 1 1 -11 18 41 o 13.15132 1.892503  1.805137       0.4780945 1.873780       0.7210322 1.751277       0.6386874 0.4120293      3.785006  
1 1 1 -11 18 42 o 44.93883 1.091458  20.28513       0.9806222 19.64363       1.386018  20.92811       1.387602  -1.428925      2.182916  
1 1 1 -11 18 43 f 8.944889 2.197750  0.7284603      0.4774387 0.7823758      0.7355958 0.6892147      0.6275932 0.6116362      4.395501  
1 1 1 -11 18 44 f 25.76203 1.084684  6.687052       0.5095223 6.619104       0.9357466 6.715688       0.6074744 -0.2355404     2.169368  
1 1 1 -11 18 45 o 51.56873 0.9656649 27.07905       0.9394019 25.51307       1.599519  27.90361       1.160662  -2.378483      1.931330  
1 1 1 -11 18 46 o 17.29342 1.385734  2.892442       0.4320112 3.301887       0.8355801 2.743063       0.5047015 1.546080       2.771467  
1 1 1 -11 18 47 o 40.68590 0.8676509 16.39472       0.6786328 17.39863       1.143152  15.84838       0.8433123 1.860584       1.735302  
1 1 1 -11 18 48 o 15.87531 1.350399  2.320968       0.4072687 3.326879       0.7293386 1.865182       0.4909418 4.546547       2.700799  
1 1 1 -11 18 49 o 28.62843 0.8740795 8.241879       0.4961348 8.121614       0.7498028 8.335545       0.6617072 -0.3876762     1.748159  
1 1 1 -11 18 50 o 52.37514 0.8277251 27.50624       0.8640352 27.89556       1.280270  27.18058       1.170902  0.6646309      1.655450  
1 1 1 -11 18 51 o 11.95675 1.783455  1.525348       0.4071916 1.414836       0.6398609 1.600563       0.5278744 -0.8448076     3.566911  
1 1 1 -11 18 52 o 40.15297 0.8451477 16.23213       0.6770802 15.39805       0.9744213 17.01081       0.9414991 -2.014412      1.690295  
1 1 1 -11 18 53 o 49.47467 1.236959  24.77654       1.220825  23.71362       1.765969  25.74949       1.689578  -2.079216      2.473918  
1 1 1 -11 18 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 18 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 19 1  o 54.31828 0.7189927 29.51149       0.7810488 29.93278       1.109290  29.09730       1.099910  0.7689285      1.437985  
1 1 1 -11 19 2  o 221.2484 2.324127  490.6513       10.27775  481.6269       14.23739  500.4717       14.85196  -4.230194      4.648254  
1 1 1 -11 19 3  o 74.22737 1.023102  55.07012       1.517617  53.74187       2.095882  56.53415       2.200398  -1.878792      2.046204  
1 1 1 -11 19 4  o 113.9480 1.353557  128.8074       3.015279  124.6868       3.847176  135.3698       4.855066  -4.661095      2.707114  
1 1 1 -11 19 5  f 68.82667 0.8310861 46.94631       1.136979  51.32977       1.728917  43.60601       1.509240  5.607452       1.662172  
1 1 1 -11 19 6  o 106.0183 1.168462  112.4262       2.476534  110.5956       3.443082  114.3885       3.564785  -1.786011      2.336924  
1 1 1 -11 19 7  o 61.39921 0.7746450 37.46400       0.9474538 40.47237       1.419650  35.04794       1.272241  4.415070       1.549290  
1 1 1 -11 19 8  o 161.3855 1.715792  260.7943       5.536278  264.5729       7.951770  257.2395       7.712665  2.263702       3.431585  
1 1 1 -11 19 9  f 149.9655 1.601768  225.0653       4.801193  229.8263       6.938768  220.6920       6.650242  3.035873       3.203536  
1 1 1 -11 19 10 f 77.35973 0.9058239 58.96831       1.386455  65.97913       2.161476  54.06723       1.807223  7.692169       1.811648  
1 1 1 -11 19 11 o 149.2324 1.595346  222.9883       4.760449  225.9997       6.821159  220.1289       6.646810  1.960907       3.190691  
1 1 1 -11 19 12 o 147.6358 1.579389  217.4490       4.648228  208.3398       6.276466  228.5135       6.917338  -6.809448      3.158779  
1 1 1 -11 19 13 o 106.6755 1.176394  113.6520       2.505554  117.9563       3.675267  109.9145       3.424760  3.762444       2.352788  
1 1 1 -11 19 14 o 210.6872 2.218244  445.2664       9.345180  440.3751       13.05823  450.4016       13.37979  -2.362366      4.436487  
1 1 1 -11 19 15 o 63.58829 0.7993380 40.35853       1.014846  38.91857       1.387048  42.01743       1.488763  -2.434597      1.598676  
1 1 1 -11 19 16 o 132.9529 1.436121  176.7777       3.814357  182.3237       5.557288  171.8377       5.244889  3.931442       2.872242  
1 1 1 -11 19 17 o 79.69055 0.9287920 63.54974       1.480310  63.28331       2.089478  63.81823       2.097494  -0.3354111     1.857584  
1 1 1 -11 19 18 o 46.21091 0.6850833 21.33969       0.6326936 21.95180       0.9166200 20.78267       0.8744003 1.264107       1.370167  
1 1 1 -11 19 19 f 117.7382 1.286735  138.7894       3.029178  136.9562       4.226569  140.7256       4.343638  -1.595840      2.573469  
1 1 1 -11 19 20 o 80.17361 0.9359803 64.18116       1.498278  61.88753       2.047839  66.82320       2.197878  -3.073395      1.871961  
1 1 1 -11 19 21 o 85.06535 0.9777731 72.42930       1.663488  72.30538       2.353739  72.55296       2.351319  -0.1456070     1.955546  
1 1 1 -11 19 22 o 96.99236 1.088566  93.97468       2.107790  97.66707       3.095790  90.78383       2.877856  3.539398       2.177132  
1 1 1 -11 19 23 o 122.0609 1.330325  149.0910       3.243976  145.1080       4.462302  153.5554       4.724247  -3.445679      2.660650  
1 1 1 -11 19 24 o 46.00200 0.6866428 21.17010       0.6315486 21.34168       0.9058409 21.00781       0.8809677 0.3621292      1.373286  
1 1 1 -11 19 25 o 40.61726 0.6646358 15.78200       0.5271634 20.19084       0.8668006 13.19409       0.6640964 8.606831       1.329272  
1 1 1 -11 19 26 o 65.54993 0.8181047 42.98820       1.072290  42.09048       1.497329  43.93328       1.536318  -1.404114      1.636209  
1 1 1 -11 19 27 o 62.30004 0.7940711 38.12393       0.9769510 43.39481       1.537332  34.55341       1.265295  7.084812       1.588142  
1 1 1 -11 19 28 o 51.75264 0.7249974 26.77070       0.7494204 27.43203       1.093288  26.18453       1.029286  1.202774       1.449995  
1 1 1 -11 19 29 o 25.55815 0.9527562 6.126609       0.4700329 9.005894       0.7777587 4.469942       0.5899568 8.863976       1.905512  
1 1 1 -11 19 30 o 76.84359 1.104546  60.16176       1.646051  54.76893       2.606858  63.73763       2.122753  -5.866760      2.209091  
1 1 1 -11 19 31 o 61.12795 1.105098  37.00081       1.338693  40.70712       2.069086  34.33226       1.755681  5.191448       2.210196  
1 1 1 -11 19 32 o 75.93088 1.279660  57.33809       1.932695  53.23009       2.573982  62.64752       2.926269  -6.169617      2.559321  
1 1 1 -11 19 33 o 32.54215 0.8176575 10.78983       0.5227191 12.08881       0.7062697 9.216447       0.7772969 4.417397       1.635315  
1 1 1 -11 19 34 o 137.6528 1.495953  190.4269       4.118245  189.2088       5.789642  191.6744       5.859136  -0.8872681     2.991906  
1 1 1 -11 19 35 o 25.81987 0.7638509 6.514905       0.3896421 7.886707       0.6093768 5.566157       0.5067754 4.487062       1.527702  
1 1 1 -11 19 36 o 22.97942 0.9321132 5.304135       0.4259704 5.176324       0.6328493 5.410010       0.5759844 -0.5133572     1.864226  
1 1 1 -11 19 37 o 28.33424 0.7570944 7.870641       0.4241264 9.253814       0.6634152 6.914551       0.5515649 4.119301       1.514189  
1 1 1 -11 19 38 o 32.84949 0.7357597 10.69064       0.4795128 11.71700       0.7367873 9.936488       0.6315731 2.701908       1.471519  
1 1 1 -11 19 39 o 28.55127 0.7646415 8.187331       0.4333338 7.992777       0.6499600 8.343008       0.5814074 -0.6192360     1.529283  
1 1 1 -11 19 40 o 45.23053 0.7451522 20.51441       0.6734918 19.76915       0.9596309 21.23781       0.9454499 -1.624802      1.490304  
1 1 1 -11 19 41 o 10.47213 1.547052  1.068303       0.3197651 1.664959       0.5055485 0.6704152      0.4128392 4.771012       3.094103  
1 1 1 -11 19 42 o 66.90822 0.8729038 44.82115       1.167023  43.05941       1.609278  46.77533       1.694889  -2.766724      1.745808  
1 1 1 -11 19 43 o 22.85647 0.9309663 5.305205       0.4194001 4.791064       0.6303427 5.713612       0.5617999 -2.027102      1.861933  
1 1 1 -11 19 44 f 22.35949 0.9347502 5.099757       0.4097466 4.514670       0.6226809 5.546589       0.5441622 -2.318188      1.869500  
1 1 1 -11 19 45 o 42.61680 0.7733543 18.19222       0.6575388 18.46802       0.9675272 17.95552       0.8963475 0.5925179      1.546709  
1 1 1 -11 19 46 f 22.61163 0.9463827 4.940183       0.4196992 6.437204       0.6715298 3.980606       0.5376396 5.410023       1.892765  
1 1 1 -11 19 47 o 37.16827 0.7848542 13.90365       0.5813450 13.11374       0.8426174 14.62120       0.8030976 -2.033360      1.569708  
1 1 1 -11 19 48 o 8.769009 1.819355  0.8005090      0.3716624 0.2669705      0.5774336 1.177880       0.4856277 -3.604014      3.638710  
1 1 1 -11 19 49 o 11.19507 1.780118  1.327850       0.3833180 1.293599       0.6056235 1.350742       0.4951099 -0.3073444     3.560236  
1 1 1 -11 19 50 o 38.54510 0.8314801 14.86693       0.6371987 15.39057       0.9615252 14.45688       0.8508590 1.191296       1.662960  
1 1 1 -11 19 51 f 26.82210 0.9394612 7.336460       0.4965227 6.402025       0.7364105 8.115355       0.6723341 -3.206984      1.878922  
1 1 1 -11 19 52 o 8.242096 2.333448  0.1444092E-01  0.5956103 1.009686       1.023480  -0.4952084     0.7324031 4.613170       4.666896  
1 1 1 -11 19 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 19 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 20 1  o 78.16429 1.334368  61.15080       2.085040  60.32765       2.897533  62.03477       3.002661  -1.088280      2.668736  
1 1 1 -11 20 2  o 20.84622 0.6554793 4.349368       0.2731293 4.443326       0.3826514 4.251777       0.3899790 0.4595585      1.310959  
1 1 1 -11 20 3  o 73.85654 0.8738160 54.45549       1.288634  52.54878       1.762367  56.64612       1.889026  -2.771004      1.747632  
1 1 1 -11 20 4  o 73.51764 0.8697211 53.86625       1.275429  56.92131       1.889193  51.30762       1.728904  3.814354       1.739442  
1 1 1 -11 20 5  o 60.27647 0.7619436 36.33669       0.9183993 37.00256       1.313006  35.69884       1.285071  1.080917       1.523887  
1 1 1 -11 20 6  o 79.27670 0.9213907 62.07761       1.447553  68.77052       2.238361  57.26625       1.897827  7.247688       1.842781  
1 1 1 -11 20 7  o 117.9699 1.286607  139.3321       3.035523  140.0596       4.313455  138.6184       4.272592  0.6094513      2.573213  
1 1 1 -11 20 8  o 86.48123 0.9867764 74.40621       1.699396  79.41763       2.550848  70.40697       2.278728  5.202515       1.973553  
1 1 1 -11 20 9  o 98.37491 1.097997  96.70918       2.157666  99.89224       3.146902  93.88517       2.964098  3.047737       2.195994  
1 1 1 -11 20 10 o 117.1879 1.279134  136.7386       2.984582  145.3352       4.483096  129.8956       3.999800  6.570351       2.558268  
1 1 1 -11 20 11 o 157.1807 1.675619  247.5037       5.265449  251.6750       7.574647  243.6033       7.324586  2.555588       3.351239  
1 1 1 -11 20 12 o 24.60603 0.6543679 5.872291       0.3164188 7.665854       0.4954658 4.636971       0.4111925 6.153116       1.308736  
1 1 1 -11 20 13 o 82.22483 0.9495156 67.62952       1.560926  66.46932       2.172737  68.86701       2.243949  -1.455902      1.899031  
1 1 1 -11 20 14 o 92.67640 1.046666  85.97035       1.939961  85.41978       2.729988  86.53198       2.757253  -0.5991364     2.093332  
1 1 1 -11 20 15 o 94.36586 1.062958  87.99935       1.986309  97.08842       3.081500  81.53831       2.598090  8.222221       2.125916  
1 1 1 -11 20 16 o 45.52549 0.6781815 20.35482       0.6111622 23.50802       0.9509187 18.13564       0.7977453 5.896896       1.356363  
1 1 1 -11 20 17 o 146.6831 1.572637  214.8778       4.599468  225.5170       6.833005  206.0635       6.219459  6.597748       3.145275  
1 1 1 -11 20 18 o 69.24329 0.8425973 47.48068       1.158394  52.05555       1.773040  44.07357       1.530108  5.756241       1.685195  
1 1 1 -11 20 19 o 82.70950 0.9583893 68.20513       1.580756  71.95790       2.346512  65.08696       2.138933  4.145744       1.916779  
1 1 1 -11 20 20 o 49.40615 0.6968175 24.13133       0.6836788 26.92558       1.045618  22.04461       0.9035922 4.935371       1.393635  
1 1 1 -11 20 21 o 63.36359 0.7949234 39.88532       1.002394  43.10149       1.512139  37.36412       1.338829  4.521175       1.589847  
1 1 1 -11 20 22 o 77.50447 0.9157829 59.59020       1.410633  55.55463       1.871705  64.89639       2.146227  -6.015076      1.831566  
1 1 1 -11 20 23 o 121.5961 1.328593  148.1508       3.230064  150.3933       4.637045  146.0371       4.501951  1.782692       2.657187  
1 1 1 -11 20 24 o 73.99892 0.8865691 54.80840       1.311957  54.08870       1.838723  55.55478       1.872515  -0.9891205     1.773138  
1 1 1 -11 20 25 f 116.3536 1.281205  135.3724       2.975437  130.6878       4.055892  140.8316       4.378397  -4.337326      2.562410  
1 1 1 -11 20 26 o 46.25284 0.6982887 21.41874       0.6456632 20.95239       0.9201715 21.87104       0.9062001 -0.9935989     1.396577  
1 1 1 -11 20 27 o 65.74757 1.139442  43.13813       1.494905  40.67849       2.032286  46.03807       2.206696  -4.064682      2.278884  
1 1 1 -11 20 28 o 8.100048 1.743194  0.6659694      0.3093416 0.5534716      0.4689485 0.7526309      0.4115919 -0.8462248     3.486387  
1 1 1 -11 20 29 o 72.32874 1.225985  52.43472       1.772968  51.06964       2.472807  53.87885       2.543394  -1.936127      2.451970  
1 1 1 -11 20 30 o 50.47027 0.8637765 25.93881       0.8545297 28.26949       1.135235  22.89173       1.298036  5.337395       1.727553  
1 1 1 -11 20 31 o 23.30320 0.7568579 5.499375       0.3483505 4.616980       0.5013261 6.323172       0.4843941 -3.661760      1.513716  
1 1 1 -11 20 32 o 68.18814 0.8525075 46.54407       1.161923  47.34594       1.677780  45.80506       1.610687  1.125328       1.705015  
1 1 1 -11 20 33 o 103.5749 1.164955  107.6236       2.413080  107.8350       3.431294  107.4169       3.394229  0.1981659      2.329910  
1 1 1 -11 20 34 o 57.17871 0.7851229 32.72553       0.8970293 33.20263       1.300466  32.29251       1.238950  0.7914505      1.570246  
1 1 1 -11 20 35 o 85.08933 1.433921  72.44828       2.431151  68.69288       3.271373  77.08081       3.633384  -4.876617      2.867842  
1 1 1 -11 20 36 o 30.64220 0.7418253 9.448729       0.4518897 8.305643       0.6418851 10.57197       0.6362886 -3.698471      1.483651  
1 1 1 -11 20 37 o 58.06701 0.7969867 33.71192       0.9245769 31.99905       1.273891  35.61858       1.344024  -3.110523      1.593973  
1 1 1 -11 20 38 o 25.43974 0.7960491 6.390681       0.3996265 7.050366       0.6290851 5.944361       0.5174455 2.163265       1.592098  
1 1 1 -11 20 39 o 101.7594 1.161191  103.9996       2.362125  105.5956       3.402804  102.5153       3.281589  1.495682       2.322381  
1 1 1 -11 20 40 o 11.93383 1.490435  1.562523       0.3281472 1.097205       0.5185629 1.873301       0.4237906 -3.443688      2.980870  
1 1 1 -11 20 41 o 39.40908 0.7452869 15.58048       0.5859732 15.31718       0.8552907 15.81339       0.8044287 -0.6347771     1.490574  
1 1 1 -11 20 42 o 11.66455 1.534340  1.366470       0.3473191 1.764846       0.5326620 1.071824       0.4580952 3.130239       3.068680  
1 1 1 -11 20 43 o 67.63358 0.8887937 45.86449       1.201830  44.46752       1.674856  47.34733       1.725566  -2.122223      1.777587  
1 1 1 -11 20 44 o 42.54726 0.7745473 18.15089       0.6569787 18.19253       0.9692130 18.11549       0.8936024 0.8075333E-01  1.549095  
1 1 1 -11 20 45 o 9.754914 1.805258  0.9137500      0.3529989 1.414878       0.5898185 0.6340776      0.4406250 3.635653       3.610517  
1 1 1 -11 20 46 o 32.26712 0.8132822 10.35737       0.5206642 11.12654       0.7982585 9.787856       0.6868888 2.058231       1.626564  
1 1 1 -11 20 47 o 15.33474 1.300790  2.361153       0.3925291 2.438716       0.6169032 2.308388       0.5088196 0.3981266      2.601581  
1 1 1 -11 20 48 o 29.06819 0.8821415 8.542521       0.5058279 8.121155       0.7715148 8.860200       0.6698974 -1.289049      1.764283  
1 1 1 -11 20 49 o 52.95899 0.8374590 28.18438       0.8863304 26.90511       1.253374  29.46399       1.253547  -2.415878      1.674918  
1 1 1 -11 20 50 o 26.00805 0.9688954 6.869474       0.4948278 6.425820       0.7624429 7.192334       0.6504168 -1.497417      1.937791  
1 1 1 -11 20 51 o 57.67125 1.113746  33.63167       1.280439  35.16081       1.768281  31.94603       1.856573  2.810291       2.227492  
1 1 1 -11 20 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 20 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 21 1  o 95.64778 1.073547  91.31676       2.048726  87.93842       2.783948  95.30759       3.025813  -3.843468      2.147094  
1 1 1 -11 21 2  o 63.25458 0.7868684 40.03426       0.9954292 39.94646       1.401542  40.12363       1.414040  -0.1397018     1.573737  
1 1 1 -11 21 3  o 122.6747 1.332609  150.2741       3.261522  157.1874       4.820358  144.4367       4.429382  5.179474       2.665218  
1 1 1 -11 21 4  o 31.19820 0.6272587 9.685762       0.3903454 8.887628       0.5309035 10.62493       0.5759016 -2.783348      1.254517  
1 1 1 -11 21 5  o 157.3068 1.677250  247.9318       5.273696  253.1104       7.618171  243.1666       7.307776  3.143234       3.354500  
1 1 1 -11 21 6  o 98.85361 1.102845  97.83295       2.180398  97.78560       3.079273  97.88054       3.087841  -0.4770660E-01 2.205691  
1 1 1 -11 21 7  o 56.83312 0.7442067 31.80984       0.8376952 35.98467       1.300153  28.84662       1.095358  6.274708       1.488413  
1 1 1 -11 21 8  o 108.3422 1.194284  117.5361       2.587742  117.0586       3.642223  118.0229       3.677268  -0.4435806     2.388568  
1 1 1 -11 21 9  o 98.70872 1.104359  97.50240       2.179461  99.24506       3.132030  95.86636       3.034720  1.707802       2.208717  
1 1 1 -11 21 10 o 13.99365 0.9424773 1.970687       0.2572714 2.562418       0.3737712 1.437937       0.3546544 4.017223       1.884955  
1 1 1 -11 21 11 o 103.9759 1.153915  107.9690       2.394596  104.1296       3.262254  112.4544       3.526052  -3.992607      2.307830  
1 1 1 -11 21 12 o 117.7028 1.286117  138.7449       3.027117  140.2299       4.327309  137.3219       4.236127  1.231125       2.572233  
1 1 1 -11 21 13 o 40.42731 0.6523810 16.21268       0.5251254 17.91164       0.7889935 14.86159       0.7035999 3.770176       1.304762  
1 1 1 -11 21 14 o 151.7559 1.624018  230.8262       4.926371  235.3821       7.109926  226.6193       6.832249  2.869263       3.248035  
1 1 1 -11 21 15 o 45.85649 0.6782476 20.96364       0.6205804 22.12561       0.9168220 19.98108       0.8430750 2.336197       1.356495  
1 1 1 -11 21 16 o 101.9505 1.136561  103.4238       2.305610  110.6193       3.479195  97.78970       3.078670  6.272118       2.273123  
1 1 1 -11 21 17 o 120.8069 1.317708  146.2346       3.183251  144.6962       4.453911  147.8410       4.551261  -1.295830      2.635416  
1 1 1 -11 21 18 o 119.7793 1.309977  142.9115       3.122700  135.5171       4.174520  152.3059       4.705301  -6.976517      2.619955  
1 1 1 -11 21 19 o 30.81442 0.6571304 9.393660       0.4020046 7.974470       0.5398334 11.16046       0.6023275 -5.167719      1.314261  
1 1 1 -11 21 20 o 38.87707 0.6556544 15.11881       0.5095663 15.26159       0.7332203 14.98543       0.7086773 0.3543968      1.311309  
1 1 1 -11 21 21 o 32.77333 0.6540251 10.46803       0.4230805 12.84204       0.6632512 8.839311       0.5493636 6.102913       1.308050  
1 1 1 -11 21 22 o 29.96673 0.6640661 8.994382       0.3976241 8.678771       0.5676174 9.298491       0.5571787 -1.034378      1.328132  
1 1 1 -11 21 23 o 67.94497 0.8461297 46.16943       1.149151  44.85111       1.592651  47.60110       1.659713  -2.020615      1.692259  
1 1 1 -11 21 24 o 46.58517 0.9401064 21.73946       0.8753572 21.49890       1.256274  21.96647       1.220390  -0.5037231     1.880213  
1 1 1 -11 21 25 o 36.19567 0.9102563 12.61638       0.6440956 9.625688       0.8296849 17.15254       1.021811  -10.38717      1.820513  
1 1 1 -11 21 26 o 56.65252 1.043638  32.06272       1.180716  30.20322       1.618787  34.17650       1.725928  -3.499458      2.087276  
1 1 1 -11 21 27 o 29.82470 0.6877156 8.909315       0.4083386 7.824923       0.5701296 10.05147       0.5851181 -3.732014      1.375431  
1 1 1 -11 21 28 o 59.03087 0.7816165 34.52061       0.9171631 31.64935       1.217644  38.28583       1.394373  -5.611519      1.563233  
1 1 1 -11 21 29 f 38.53106 0.6797427 14.83850       0.5225181 15.16288       0.7700572 14.56171       0.7113355 0.7771606      1.359485  
1 1 1 -11 21 30 o 46.52446 0.7148736 21.48830       0.6614231 23.35610       1.002465  20.04832       0.8802027 3.547798       1.429747  
1 1 1 -11 21 31 o 72.23050 0.8847079 52.26195       1.277748  52.66095       1.830103  51.88247       1.784768  0.5354691      1.769416  
1 1 1 -11 21 32 o 85.63271 1.003434  73.40601       1.716868  70.99452       2.365105  76.09229       2.496234  -2.964455      2.006868  
1 1 1 -11 21 33 o 100.4980 1.139546  101.3670       2.290379  100.6520       3.224637  102.0950       3.253728  -0.7145844     2.279092  
1 1 1 -11 21 34 o 24.10512 0.8638978 5.824748       0.4163375 5.767368       0.5950879 5.879762       0.5826883 -0.2342567     1.727796  
1 1 1 -11 21 35 o 58.20227 0.7941368 33.93860       0.9242517 33.07280       1.301045  34.82068       1.313219  -1.500504      1.588274  
1 1 1 -11 21 36 o 32.95954 0.7232887 10.90507       0.4751674 10.56650       0.6949766 11.20227       0.6511396 -0.9681625     1.446577  
1 1 1 -11 21 37 o 15.87349 1.094457  2.646748       0.3316152 1.982688       0.5068844 3.143647       0.4384693 -3.665886      2.188913  
1 1 1 -11 21 38 o 80.94939 0.9778811 65.76503       1.583125  65.26220       2.241298  66.26571       2.236465  -0.6204605     1.955762  
1 1 1 -11 21 39 o 40.93238 0.7454201 16.79127       0.6085652 15.18095       0.8504902 18.48083       0.8711644 -4.028797      1.490840  
1 1 1 -11 21 40 o 44.72314 0.7576916 19.99559       0.6751578 20.62539       1.005771  19.47901       0.9108976 1.271362       1.515383  
1 1 1 -11 21 41 o 51.73635 0.7920443 26.82562       0.8188156 25.28474       1.145818  28.43371       1.170538  -3.040421      1.584089  
1 1 1 -11 21 42 o 77.81378 0.9626142 60.72462       1.496018  62.19015       2.183787  59.42865       2.053588  1.754555       1.925228  
1 1 1 -11 21 43 o 42.10411 0.7837849 17.82300       0.6583026 16.53023       0.9380740 19.07739       0.9240454 -3.026737      1.567570  
1 1 1 -11 21 44 o 20.16743 1.029286  3.911067       0.4058081 5.047532       0.6632368 3.231012       0.5130537 4.476278       2.058571  
1 1 1 -11 21 45 f 51.27982 0.8123796 26.40689       0.8320283 24.77586       1.175200  28.04608       1.178137  -3.188171      1.624759  
1 1 1 -11 21 46 o 53.37472 0.8318934 28.61313       0.8873096 28.18588       1.275372  29.01395       1.235279  -0.7822762     1.663787  
1 1 1 -11 21 47 o 37.51729 0.8290994 14.17508       0.6195104 13.56734       0.9067793 14.70704       0.8483740 -1.528809      1.658199  
1 1 1 -11 21 48 o 50.27034 0.8310627 25.40704       0.8346930 24.49737       1.192591  26.28055       1.168641  -1.778023      1.662125  
1 1 1 -11 21 49 o 31.65664 0.8954639 10.14185       0.5608004 9.538286       0.8430466 10.62091       0.7510796 -1.728357      1.790928  
1 1 1 -11 21 50 f 44.80720 1.197897  20.34044       1.069189  19.34493       1.559064  21.22435       1.469070  -2.123276      2.395795  
1 1 1 -11 21 51 o 32.49051 1.301712  10.62852       0.8272164 10.93334       1.323248  10.43298       1.059838  0.6855392      2.603424  
1 1 1 -11 21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 22 1  o 81.07964 1.250202  65.70630       1.969668  65.19347       2.500159  66.54537       3.197985  -0.7953720     2.500405  
1 1 1 -11 22 2  f 153.5551 2.348046  237.2297       7.206386  232.8285       9.978798  242.0271       10.41813  -2.949936      4.696092  
1 1 1 -11 22 3  f 54.78616 1.107004  29.91558       1.210032  32.44512       1.785511  27.76711       1.645533  4.262577       2.214008  
1 1 1 -11 22 4  o 156.8286 2.067584  246.7563       6.081251  248.6544       10.65969  245.8405       7.404382  0.6090240      4.135168  
1 1 1 -11 22 5  o 126.1772 1.370300  159.5654       3.457886  160.5662       4.915869  158.5852       4.864909  0.7820053      2.740601  
1 1 1 -11 22 6  o 78.80245 0.9236462 62.13135       1.455265  63.44728       2.090014  60.89294       2.027519  1.618210       1.847292  
1 1 1 -11 22 7  o 46.78542 0.6785083 21.90126       0.6348803 22.02343       0.8984281 21.77940       0.8972856 0.2607613      1.357017  
1 1 1 -11 22 8  o 66.27923 0.8201020 43.27782       1.075837  48.72283       1.675001  39.45415       1.403641  6.982315       1.640204  
1 1 1 -11 22 9  o 144.7899 1.555167  210.1974       4.501931  207.3225       6.270192  213.2564       6.467790  -2.035477      3.110334  
1 1 1 -11 22 10 f 104.4970 1.160497  109.2778       2.423644  112.0449       3.508673  106.7526       3.351807  2.524139       2.320995  
1 1 1 -11 22 11 o 22.85067 0.7006382 5.170865       0.3178578 4.379285       0.4279537 6.144867       0.4747112 -3.861830      1.401276  
1 1 1 -11 22 12 o 27.53754 0.6615950 7.530596       0.3626437 6.603877       0.4913675 8.639223       0.5374341 -3.694197      1.323190  
1 1 1 -11 22 13 f 38.79204 0.6559693 14.96561       0.5073816 13.77356       0.6869025 16.39695       0.7526938 -3.379364      1.311939  
1 1 1 -11 22 14 o 95.42833 1.078149  91.18906       2.057383  90.29046       2.878565  92.12749       2.941617  -0.9593201     2.156299  
1 1 1 -11 22 15 o 32.10090 0.6631663 9.651422       0.4116760 13.87002       0.6861206 7.278393       0.5145976 10.26156       1.326333  
1 1 1 -11 22 16 o 106.6215 1.185060  113.7733       2.524712  111.0067       3.481373  116.8426       3.666804  -2.725822      2.370120  
1 1 1 -11 22 17 o 81.15702 0.9490824 65.88824       1.539494  64.29768       2.130893  67.62490       2.226604  -2.045197      1.898165  
1 1 1 -11 22 18 o 18.55468 0.7842093 3.448984       0.2896422 3.413627       0.4298876 3.478377       0.3919657 -0.1760540     1.568419  
1 1 1 -11 22 19 o 82.27380 0.9622122 67.26160       1.574697  63.04886       2.098238  72.69402       2.382702  -5.846840      1.924424  
1 1 1 -11 22 20 o 71.89352 1.203012  51.47254       1.722969  48.22401       2.314438  55.51093       2.580511  -5.050217      2.406025  
1 1 1 -11 22 21 o 81.03786 1.323347  65.59515       2.139311  62.37411       2.901130  69.43420       3.167241  -4.335968      2.646695  
1 1 1 -11 22 22 o 113.9069 1.765106  129.4209       3.997347  121.6619       5.315166  139.5234       6.064954  -7.760452      3.530213  
1 1 1 -11 22 23 o 28.51353 0.7789079 8.007864       0.4368918 7.463052       0.5613233 8.845086       0.6958407 -2.416601      1.557816  
1 1 1 -11 22 24 o 34.88609 0.6772557 11.99857       0.4687362 13.71760       0.7203993 10.73648       0.6172716 4.267757       1.354511  
1 1 1 -11 22 25 o 29.78904 0.6822788 8.783766       0.4040353 9.818459       0.6137865 7.992589       0.5367209 3.060982       1.364558  
1 1 1 -11 22 26 o 52.38350 0.7379033 27.42948       0.7724977 26.26590       1.068702  28.70269       1.117913  -2.323284      1.475807  
1 1 1 -11 22 27 o 45.86964 0.7092892 21.03755       0.6502542 20.05459       0.9026990 22.09773       0.9374837 -2.225182      1.418578  
1 1 1 -11 22 28 o 19.03065 0.8187430 3.628282       0.3104145 3.616981       0.4593095 3.637784       0.4211529 -0.5725670E-01 1.637486  
1 1 1 -11 22 29 o 32.71062 0.6934975 10.25098       0.4438109 13.47895       0.7189530 8.263610       0.5641235 7.962543       1.386995  
1 1 1 -11 22 30 o 27.17315 0.7200159 7.355110       0.3895446 7.788741       0.5850011 7.009660       0.5221411 1.429264       1.440032  
1 1 1 -11 22 31 o 88.17287 1.026397  77.46690       1.800891  82.95321       2.716545  73.16528       2.405429  5.517662       2.052795  
1 1 1 -11 22 32 o 24.70204 0.7775503 6.115719       0.3827916 6.078463       0.5646365 6.147405       0.5207240 -0.1431389     1.555101  
1 1 1 -11 22 33 o 75.43410 0.9252405 56.77638       1.391008  60.28259       2.075278  53.91613       1.874389  4.199409       1.850481  
1 1 1 -11 22 34 o 32.97492 0.7193987 10.90695       0.4735865 10.17921       0.6710677 11.62900       0.6684449 -2.198544      1.438797  
1 1 1 -11 22 35 o 6.154595 1.677544  0.2530394      0.2859802 0.2377114      0.4616934 0.2625813      0.3642766 0.3793678      3.355088  
1 1 1 -11 22 36 o 27.76836 0.7642885 7.522501       0.4187509 9.186110       0.6588825 6.395194       0.5423799 5.013596       1.528577  
1 1 1 -11 22 37 o 31.94625 0.7465091 10.24502       0.4749312 10.02476       0.7006775 10.43223       0.6459622 -0.6432743     1.493018  
1 1 1 -11 22 38 o 36.30482 0.7454271 12.94174       0.5352319 15.11122       0.8362131 11.43610       0.6966265 5.046764       1.490854  
1 1 1 -11 22 39 o 30.74668 0.7692072 9.394400       0.4682299 10.03516       0.7243257 8.934426       0.6136948 1.777554       1.538414  
1 1 1 -11 22 40 o 11.59625 1.548012  1.442476       0.3420174 1.074021       0.5186029 1.726081       0.4549880 -2.997859      3.096025  
1 1 1 -11 22 41 o 74.89667 0.9397184 56.32727       1.407210  56.57384       2.016992  56.09345       1.964247  0.3122787      1.879437  
1 1 1 -11 22 42 o 43.86409 0.7815459 19.34262       0.6840408 18.38182       0.9847197 20.23860       0.9509246 -2.121155      1.563092  
1 1 1 -11 22 43 o 53.12498 0.8090673 28.20352       0.8562348 29.52448       1.279678  27.13274       1.152137  2.232639       1.618135  
1 1 1 -11 22 44 o 18.51421 1.108830  3.461926       0.4057946 3.371749       0.6186885 3.530010       0.5375814 -0.4444637     2.217661  
1 1 1 -11 22 45 o 25.95742 0.9029064 6.614137       0.4633529 8.004465       0.7211996 5.636844       0.6046575 4.539579       1.805813  
1 1 1 -11 22 46 o 47.22970 0.8112485 22.42369       0.7653549 21.39063       1.090539  23.42639       1.074392  -2.158035      1.622497  
1 1 1 -11 22 47 f 39.26436 1.177191  15.40482       0.9101044 16.35566       1.435465  14.76570       1.176877  1.957684       2.354382  
1 1 1 -11 22 48 o 21.06989 1.503646  4.281077       0.6097177 5.339719       1.050110  3.742678       0.7488802 3.684967       3.007292  
1 1 1 -11 22 49 o 26.66730 1.343978  7.304994       0.6985120 6.696002       1.092739  7.725775       0.9083200 -1.992130      2.687956  
1 1 1 -11 22 50 o 13.16957 2.696763  2.061143       0.7176402 0.6662577      1.673352  2.375516       0.7944040 -3.653654      5.393527  
1 1 1 -11 23 1  o 45.13514 0.6764065 20.38454       0.6105846 20.52690       0.8661410 20.24391       0.8608771 0.3133087      1.352813  
1 1 1 -11 23 2  o 138.4784 1.493720  191.6556       4.124207  183.8356       5.576143  201.0996       6.127833  -6.192078      2.987441  
1 1 1 -11 23 3  o 80.23169 0.9373060 64.40287       1.503299  65.94764       2.167764  62.97170       2.086533  1.850792       1.874612  
1 1 1 -11 23 4  o 40.72475 0.6527078 16.59015       0.5315210 17.05995       0.7583212 16.13645       0.7452184 1.133411       1.305416  
1 1 1 -11 23 5  o 67.52846 0.8300309 45.61441       1.120578  46.74184       1.612496  44.56141       1.558363  1.612221       1.660062  
1 1 1 -11 23 6  o 7.183123 1.828167  0.3980692      0.2916560 0.3614781      0.3307165 0.5261046      0.6186327 -1.758715      3.656333  
1 1 1 -11 23 7  o 86.84464 1.452539  75.15126       2.511972  80.85957       3.772832  70.60578       3.366690  5.873947       2.905078  
1 1 1 -11 23 8  o 99.09981 1.609730  98.57119       3.190387  98.55610       4.494673  98.58652       4.529304  -0.1252747E-01 3.219461  
1 1 1 -11 23 9  o 92.68240 1.525431  85.82540       2.819712  90.94408       4.182854  81.56188       3.817493  5.033028       3.050863  
1 1 1 -11 23 10 o 83.03869 1.203125  69.28481       1.875085  68.56293       3.268266  69.63902       2.289347  -0.7078094     2.406251  
1 1 1 -11 23 11 o 62.95403 0.8002551 39.36688       1.002874  42.79468       1.510280  36.66334       1.341270  4.862610       1.600510  
1 1 1 -11 23 12 f 73.40659 0.8833039 53.72816       1.293190  56.81847       1.918100  51.15286       1.750997  3.851219       1.766608  
1 1 1 -11 23 13 o 63.16736 0.8772819 39.96622       1.094331  40.06472       1.438913  39.83108       1.685383  0.1965179      1.754564  
1 1 1 -11 23 14 o 75.19356 1.233000  56.65260       1.853935  55.54514       2.592424  57.81182       2.652321  -1.503220      2.466000  
1 1 1 -11 23 15 o 48.23740 0.9350020 23.28329       0.9010192 23.63835       1.309873  22.96441       1.241353  0.6950417      1.870004  
1 1 1 -11 23 16 o 42.57527 0.7643133 17.96676       0.6474283 15.81984       0.8703828 20.62604       0.9686902 -5.640125      1.528627  
1 1 1 -11 23 17 o 50.85165 0.9597930 25.90343       0.9759406 25.49563       1.386559  26.30382       1.373905  -0.7953644     1.919586  
1 1 1 -11 23 18 o 71.23097 1.191634  50.72388       1.693488  52.77037       2.501150  48.99147       2.301229  2.637978       2.383267  
1 1 1 -11 23 19 o 97.98342 1.544077  96.36151       3.023785  98.18315       4.373436  94.69321       4.185320  1.761917       3.088154  
1 1 1 -11 23 20 o 80.34213 1.130982  65.57301       1.767889  68.82957       2.284865  60.71511       2.790649  5.088997       2.261965  
1 1 1 -11 23 21 o 36.93758 0.6756502 13.65005       0.4988379 12.99777       0.6980140 14.33094       0.7131564 -1.803898      1.351300  
1 1 1 -11 23 22 o 58.93416 0.7806964 34.55691       0.9166421 37.23421       1.372060  32.39867       1.231893  4.094810       1.561393  
1 1 1 -11 23 23 o 56.30178 0.7657678 31.63042       0.8604479 33.35312       1.268468  30.16210       1.171073  2.828373       1.531536  
1 1 1 -11 23 24 o 42.19926 0.6943558 17.82257       0.5858201 17.16855       0.8219219 18.49786       0.8351868 -1.574318      1.388712  
1 1 1 -11 23 25 o 30.24831 0.6915388 9.113264       0.4170125 9.733761       0.6209397 8.603481       0.5628234 1.864992       1.383078  
1 1 1 -11 23 26 o 98.20129 1.115358  96.63933       2.189090  94.42917       3.028642  99.05715       3.167721  -2.342918      2.230716  
1 1 1 -11 23 27 o 43.00600 0.7069940 18.50085       0.6075475 18.93136       0.8818340 18.11186       0.8382273 0.9499207      1.413988  
1 1 1 -11 23 28 f 44.09076 0.7085636 19.46465       0.6246969 18.92273       0.8780677 20.02008       0.8889424 -1.243656      1.417127  
1 1 1 -11 23 29 o 62.19805 0.8121929 38.61137       1.007580  40.72897       1.493508  36.84248       1.365012  3.113396       1.624386  
1 1 1 -11 23 30 f 66.65492 0.8511534 44.17732       1.128555  47.81419       1.707330  41.35520       1.503977  4.826614       1.702307  
1 1 1 -11 23 31 o 38.11879 0.7142326 14.55707       0.5436292 13.48914       0.7628051 15.65928       0.7749543 -2.845566      1.428465  
1 1 1 -11 23 32 o 98.34971 1.123678  96.91182       2.206118  100.6654       3.241562  93.67319       3.011022  3.523941       2.247357  
1 1 1 -11 23 33 o 17.88028 0.9569412 3.188037       0.3400073 3.372051       0.5162308 3.047053       0.4518591 0.9010582      1.913882  
1 1 1 -11 23 34 o 69.05876 0.8742114 47.70486       1.205041  49.70488       1.772929  45.98753       1.642865  2.676338       1.748423  
1 1 1 -11 23 35 o 46.31458 0.7378154 21.39640       0.6811267 22.66084       1.015056  20.36072       0.9186588 2.473473       1.475631  
1 1 1 -11 23 36 o 13.51661 1.411976  2.107216       0.3304417 1.053589       0.5027367 2.908646       0.4384601 -7.019930      2.823953  
1 1 1 -11 23 37 o 51.25466 0.7761512 25.41373       0.7788506 31.00341       1.270655  22.04973       0.9857371 8.702076       1.552302  
1 1 1 -11 23 38 f 28.57279 0.7877930 8.096089       0.4455915 8.793480       0.6911695 7.600080       0.5828974 2.075380       1.575586  
1 1 1 -11 23 39 o 14.27108 1.365620  1.945695       0.3465203 3.528360       0.5689217 1.012273       0.4369150 8.923487       2.731240  
1 1 1 -11 23 40 o 22.40337 0.9354258 4.907920       0.4124345 5.806142       0.6591735 4.330064       0.5287104 3.272800       1.870852  
1 1 1 -11 23 41 o 46.32101 0.7783045 21.31540       0.7163120 23.29100       1.091764  19.82216       0.9491732 3.724678       1.556609  
1 1 1 -11 23 42 o 58.97733 0.8371070 34.61731       0.9809511 37.40836       1.493834  32.50136       1.300684  4.129986       1.674214  
1 1 1 -11 23 43 f 29.23933 0.8496380 8.440494       0.4911542 9.524699       0.7687005 7.692512       0.6384796 3.111107       1.699276  
1 1 1 -11 23 44 o 37.55428 0.8702551 13.99688       0.6356537 14.87709       1.040450  13.47268       0.8029218 1.827110       1.740510  
1 1 1 -11 23 45 o 31.91887 1.161622  10.27877       0.7354572 10.24377       1.112477  10.30594       0.9802188 -0.1315804     2.323243  
1 1 1 -11 23 46 o 39.48183 0.9661888 15.87570       0.7451063 16.70238       0.9706061 14.68944       1.162695  2.590351       1.932378  
1 1 1 -11 23 47 o 31.37217 0.9493923 10.09031       0.5766045 9.077141       0.9133633 10.76165       0.7434875 -2.722721      1.898785  
1 1 1 -11 23 48 o 22.96808 1.491719  5.284561       0.6733286 5.746799       1.073091  4.984388       0.8647454 1.581966       2.983438  
1 1 1 -11 23 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 24 1  o 22.18496 0.6892330 4.908576       0.3040525 5.693205       0.4436143 4.213413       0.4175580 3.334089       1.378466  
1 1 1 -11 24 2  o 93.27026 1.059418  87.15075       1.976222  86.99235       2.787285  87.31089       2.802377  -0.1698532     2.118836  
1 1 1 -11 24 3  o 38.24987 0.6533679 14.40938       0.4958587 16.89119       0.7577602 12.55080       0.6557494 5.669937       1.306736  
1 1 1 -11 24 4  f 121.8478 1.331397  148.6193       3.239940  153.7748       4.736854  144.0869       4.441342  3.953110       2.662794  
1 1 1 -11 24 5  o 33.79775 0.6427952 11.41077       0.4341146 10.94106       0.5989612 11.93056       0.6300819 -1.462723      1.285590  
1 1 1 -11 24 6  o 51.95641 0.7225041 26.52771       0.7431951 30.62390       1.155403  23.63679       0.9706473 6.716412       1.445008  
1 1 1 -11 24 7  o 22.24162 0.7042586 4.946695       0.3127660 4.564429       0.4357314 5.352980       0.4492125 -1.772150      1.408517  
1 1 1 -11 24 8  o 128.6290 1.399665  165.7081       3.596004  171.0980       5.250295  160.9455       4.935341  3.921021       2.799329  
1 1 1 -11 24 9  o 78.41586 0.9276714 61.52976       1.454041  60.24026       2.015202  62.93017       2.100070  -1.710564      1.855343  
1 1 1 -11 24 10 o 34.93860 0.6576744 12.21529       0.4595406 12.39275       0.6522658 12.04038       0.6475371 0.5040817      1.315349  
1 1 1 -11 24 11 o 79.38975 0.9381768 63.10054       1.489311  64.17054       2.133514  62.08363       2.079916  1.311295       1.876354  
1 1 1 -11 24 12 o 36.12439 0.8835901 13.22731       0.5809519 13.46103       0.6940228 12.68016       1.061910  1.100636       1.767180  
1 1 1 -11 24 13 o 49.16686 1.594199  0.000000       0.000000  ?              ?         24.23036       1.567635  ?              ?         
1 1 1 -11 24 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 24 16 o 56.93074 1.611277  32.49471       1.834623  32.49471       1.834623  ?              ?         ?              ?         
1 1 1 -11 24 17 o 48.13452 0.9045491 23.73494       0.8182903 21.60753       1.390393  24.86228       1.012141  -3.404259      1.809098  
1 1 1 -11 24 18 o 140.0538 1.640517  197.7114       4.565626  192.4530       6.804620  202.0170       6.157334  -3.489380      3.281035  
1 1 1 -11 24 19 o 30.33616 0.7705352 9.029978       0.4505752 9.891152       0.7591256 8.561572       0.5598593 2.180067       1.541070  
1 1 1 -11 24 20 o 83.90950 0.9814157 70.31107       1.642982  67.19771       2.230686  74.00267       2.429016  -4.039619      1.962831  
1 1 1 -11 24 21 o 70.62445 0.8713859 49.83644       1.228857  47.75058       1.680738  52.23214       1.801248  -3.164177      1.742772  
1 1 1 -11 24 22 o 113.6954 1.260157  129.5349       2.861677  125.6547       3.926740  133.9297       4.179081  -3.612137      2.520314  
1 1 1 -11 24 23 o 61.54964 0.8023154 37.93190       0.9873058 38.40652       1.418271  37.48564       1.375245  0.7450256      1.604631  
1 1 1 -11 24 24 o 30.02381 0.7052883 9.017899       0.4226211 9.150277       0.6200209 8.903019       0.5775857 0.4089546      1.410577  
1 1 1 -11 24 25 o 85.97517 1.007221  74.11958       1.731722  74.82407       2.471663  73.44033       2.426998  0.8002090      2.014441  
1 1 1 -11 24 26 o 10.16978 1.402694  1.074999       0.2719056 1.080017       0.4212162 1.071414       0.3560190 -0.5700111E-02 2.805387  
1 1 1 -11 24 27 f 32.53682 0.7135713 10.60395       0.4639910 10.56799       0.6688116 10.63731       0.6442425 -0.1083794     1.427143  
1 1 1 -11 24 28 o 27.93115 0.7270616 7.811317       0.4051960 7.859044       0.5946208 7.769942       0.5536388 0.1561985      1.454123  
1 1 1 -11 24 29 o 19.76763 0.8735309 3.976812       0.3393739 3.197551       0.4874517 4.709867       0.4727790 -3.826700      1.747062  
1 1 1 -11 24 30 o 25.52612 1.101717  6.316982       0.5466419 7.497645       0.9117156 5.654327       0.6830304 3.579689       2.203434  
1 1 1 -11 24 31 o 60.13809 0.8083003 36.10379       0.9700896 33.94725       1.320405  38.63306       1.429963  -3.884434      1.616601  
1 1 1 -11 24 32 o 41.54663 0.7274540 17.30427       0.6041552 16.76285       0.8577065 17.83744       0.8511406 -1.293869      1.454908  
1 1 1 -11 24 33 o 54.94111 0.7847216 30.22366       0.8617684 28.95037       1.197204  31.59280       1.241449  -2.400028      1.569443  
1 1 1 -11 24 34 o 15.35073 1.148334  2.499607       0.3334916 1.788570       0.5103626 3.029439       0.4405567 -4.052668      2.296668  
1 1 1 -11 24 35 f 30.25004 0.7657950 9.194259       0.4616417 8.884475       0.6754570 9.465798       0.6323890 -0.9656830     1.531590  
1 1 1 -11 24 36 o 43.74438 0.7535267 18.62054       0.6475914 22.26831       1.042398  16.32777       0.8264192 6.765072       1.507053  
1 1 1 -11 24 37 o 28.83389 0.7859198 8.268169       0.4489434 8.830468       0.6924614 7.860434       0.5896603 1.668537       1.571840  
1 1 1 -11 24 38 o 43.80712 0.7624354 18.67046       0.6558074 22.34936       1.058064  16.37542       0.8356947 6.788555       1.524871  
1 1 1 -11 24 39 o 21.16193 0.9885203 4.508018       0.4116621 4.455384       0.6402044 4.545123       0.5375216 -0.2298965     1.977041  
1 1 1 -11 24 40 f 10.88817 1.654729  1.289224       0.3474687 0.9630309      0.5593715 1.494170       0.4433863 -2.565973      3.309459  
1 1 1 -11 24 41 o 37.88733 0.7930276 14.32734       0.5935957 14.88896       0.9213856 13.92884       0.7761232 1.244411       1.586055  
1 1 1 -11 24 42 o 66.49167 1.251187  44.14208       1.647333  47.81424       2.551110  41.51585       2.157426  4.636360       2.502375  
1 1 1 -11 24 43 o 58.08179 1.081168  34.07879       1.250998  35.27102       1.714145  32.72014       1.829877  2.223831       2.162336  
1 1 1 -11 24 44 o 42.59456 0.8193133 18.20912       0.6957244 18.34245       1.027547  18.09626       0.9453861 0.2741089      1.638627  
1 1 1 -11 24 45 o 52.81659 0.8353837 28.02697       0.8810949 27.97410       1.281264  28.07441       1.213600  -0.1081276     1.670767  
1 1 1 -11 24 46 o 52.15405 0.9959258 27.40046       1.038473  27.01742       1.481533  27.77042       1.456045  -0.7282944     1.991852  
1 1 1 -11 24 47 f 12.69907 2.331858  1.536370       0.6116332 2.701544       1.010771  0.8632528      0.7682508 6.339171       4.663715  
1 1 1 -11 25 1  o 24.93483 0.6513599 6.160309       0.3231240 5.434097       0.4338798 7.064660       0.4841794 -3.267357      1.302720  
1 1 1 -11 25 2  o 74.20671 0.8907917 54.67728       1.314449  59.51859       1.993572  50.95394       1.748306  5.755486       1.781583  
1 1 1 -11 25 3  f 41.23092 0.6622756 17.00617       0.5459805 17.52131       0.7816920 16.51548       0.7629164 1.218884       1.324551  
1 1 1 -11 25 4  f 101.6409 1.139471  103.5550       2.316025  104.7334       3.308539  102.4227       3.243149  1.131439       2.278943  
1 1 1 -11 25 5  o 123.6800 1.353358  153.5118       3.347479  154.5788       4.764706  152.4719       4.703979  0.8459549      2.706715  
1 1 1 -11 25 6  o 95.33170 1.081909  91.08934       2.062762  91.55482       2.928652  90.63110       2.905855  0.4827499      2.163818  
1 1 1 -11 25 7  o 62.32649 0.7987481 38.73133       0.9931163 41.16851       1.470255  36.68624       1.346807  3.588879       1.597496  
1 1 1 -11 25 8  o 41.92028 0.6764668 17.54891       0.5665009 18.52126       0.8248702 16.68087       0.7793711 2.192947       1.352934  
1 1 1 -11 25 9  o 24.53133 0.7803154 5.899933       0.3736659 6.584816       0.6108353 5.490382       0.4723568 2.223114       1.560631  
1 1 1 -11 25 10 o 14.25825 1.204255  2.054733       0.3316776 2.783361       0.4839839 1.409508       0.4554422 4.815413       2.408510  
1 1 1 -11 25 11 o 65.94862 1.125516  43.57688       1.483831  44.41350       2.138237  42.79976       2.060812  1.217308       2.251032  
1 1 1 -11 25 12 o 29.92906 0.7727402 8.893225       0.4512999 8.638469       0.5742544 9.304708       0.7298240 -1.104342      1.545480  
1 1 1 -11 25 13 o 71.56139 0.8769510 51.23125       1.254199  52.90526       1.816733  49.70695       1.733597  2.229210       1.753902  
1 1 1 -11 25 14 o 61.65816 0.8017448 37.79249       0.9844974 41.13807       1.477777  35.12274       1.320105  4.868153       1.603490  
1 1 1 -11 25 15 o 86.67781 1.005493  75.29636       1.742973  74.73029       2.448564  75.87782       2.481641  -0.6592789     2.010986  
1 1 1 -11 25 16 o 32.85751 0.6715630 10.67763       0.4385503 12.06440       0.6666733 9.619771       0.5822677 3.715374       1.343126  
1 1 1 -11 25 17 o 85.43875 0.9954913 73.15186       1.700814  72.14264       2.380117  74.20497       2.431329  -1.202614      1.990983  
1 1 1 -11 25 18 o 31.20735 0.6804730 9.624783       0.4218856 10.93543       0.6427388 8.632637       0.5592154 3.684584       1.360946  
1 1 1 -11 25 19 o 31.39587 0.6806876 9.754877       0.4247866 10.95798       0.6455869 8.836312       0.5641024 3.373907       1.361375  
1 1 1 -11 25 20 o 35.37156 0.7391290 12.58106       0.5205235 13.25792       0.7159184 11.82197       0.7581593 2.032753       1.478258  
1 1 1 -11 25 21 o 63.53632 1.048836  39.35858       1.203713  37.93539       1.412232  43.13895       2.301662  -4.003357      2.097672  
1 1 1 -11 25 22 o 23.35094 1.241974  5.484729       0.5768235 6.237821       0.8253974 4.765839       0.8064365 3.149446       2.483947  
1 1 1 -11 25 23 o 96.17986 1.586555  93.06590       3.048086  90.72044       4.187848  95.70815       4.444919  -2.550064      3.173109  
1 1 1 -11 25 24 o 76.32812 1.347309  58.57267       2.056240  58.21641       2.872375  58.94715       2.944907  -0.4681854     2.694618  
1 1 1 -11 25 25 o 49.63779 1.095695  24.68743       1.086723  23.64414       1.498075  25.84621       1.578818  -2.208218      2.191391  
1 1 1 -11 25 26 o 35.57793 1.098734  12.67620       0.7801762 13.89263       1.132348  11.57691       1.076445  3.247257       2.197469  
1 1 1 -11 25 27 o 20.79467 1.336050  4.349454       0.5526396 3.766506       0.7675467 4.976975       0.7963497 -2.905846      2.672100  
1 1 1 -11 25 28 o 25.39602 1.211648  6.531956       0.6026428 4.933537       0.8380530 8.243598       0.8672270 -6.512451      2.423295  
1 1 1 -11 25 29 o 14.59653 1.716297  2.194931       0.4878334 2.004926       0.6984419 2.375917       0.6816652 -1.492329      3.432594  
1 1 1 -11 25 30 f 65.75154 1.053886  44.27509       1.322814  40.38456       2.176080  46.55539       1.665966  -4.764202      2.107771  
1 1 1 -11 25 31 o 50.61481 0.9556488 25.75261       0.8974929 25.59887       1.600060  25.82318       1.084092  -0.2891464     1.911298  
1 1 1 -11 25 32 o 25.44417 0.9230162 5.949901       0.4408087 8.143598       0.8130772 5.036708       0.5245957 6.066273       1.846032  
1 1 1 -11 25 33 o 19.94372 1.092315  4.129439       0.4034128 3.631706       0.6975043 4.379622       0.4945135 -1.906694      2.184630  
1 1 1 -11 25 34 o 61.03204 0.8320061 37.24858       1.012769  38.84627       1.500201  35.91072       1.372806  2.388229       1.664012  
1 1 1 -11 25 35 o 39.09738 0.7597316 15.31384       0.5923014 15.51678       0.8745484 15.14188       0.8050430 0.4704094      1.519463  
1 1 1 -11 25 36 o 48.27125 0.7730359 23.35728       0.7450784 23.59453       1.087784  23.14760       1.022631  0.4540596      1.546072  
1 1 1 -11 25 37 o 19.87222 1.035317  4.147892       0.3898638 2.714319       0.5638503 5.461037       0.5396473 -6.915161      2.070633  
1 1 1 -11 25 38 o 44.99667 0.7757915 20.26915       0.6957908 20.79502       1.032818  19.83215       0.9415026 1.056850       1.551583  
1 1 1 -11 25 39 o 51.80815 1.145960  26.98346       1.182972  23.88902       1.635556  30.37822       1.713086  -6.245289      2.291921  
1 1 1 -11 25 40 o 57.05836 1.168951  32.85276       1.332034  31.77136       1.915203  33.86599       1.853854  -1.849979      2.337901  
1 1 1 -11 25 41 o 45.51257 0.8079072 20.81926       0.7343038 19.51279       1.038424  22.12593       1.038501  -2.870785      1.615814  
1 1 1 -11 25 42 o 19.74869 1.132643  3.986429       0.4301746 3.720052       0.7003362 4.147823       0.5451327 -1.121174      2.265285  
1 1 1 -11 25 43 o 23.58316 1.145694  5.630286       0.4981008 5.553987       0.8961101 5.664400       0.5991946 -0.3107166     2.291387  
1 1 1 -11 25 44 o 17.66615 1.439602  3.303029       0.4596887 2.830075       0.8213694 3.518730       0.5546963 -2.040148      2.879205  
1 1 1 -11 25 45 o 23.53193 1.718322  5.453909       0.6699789 6.012122       1.456625  5.304128       0.7545289 1.217737       3.436644  
1 1 1 -11 25 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 26 1  o 69.67606 0.8571932 48.62966       1.194475  49.08323       1.697670  48.18499       1.680939  0.6433640      1.714386  
1 1 1 -11 26 2  o 111.6702 1.239011  125.1180       2.766466  123.5104       3.859072  126.8177       3.967947  -1.469505      2.478021  
1 1 1 -11 26 3  o 54.26236 0.7413754 29.31989       0.8021178 31.62000       1.192575  27.41978       1.083925  3.863525       1.482751  
1 1 1 -11 26 4  o 55.09733 0.7482460 30.29446       0.8227171 28.91335       1.119109  31.91870       1.213626  -2.721382      1.496492  
1 1 1 -11 26 5  o 93.48337 1.292573  86.98646       2.273976  89.94899       3.984748  85.55572       2.769157  2.219719       2.585147  
1 1 1 -11 26 6  o 30.53384 0.8297834 9.203490       0.5030562 10.68564       0.7664708 8.081877       0.6667626 4.256798       1.659567  
1 1 1 -11 26 7  o 84.53846 1.352704  71.70201       2.285087  73.52177       3.316345  70.05707       3.153039  2.030594       2.705407  
1 1 1 -11 26 8  o 48.93403 0.8389302 23.25634       0.7750105 21.89862       0.9384228 26.16889       1.374454  -4.332458      1.677860  
1 1 1 -11 26 9  o 16.58250 0.8836248 2.751080       0.2927969 2.599011       0.4062429 2.915471       0.4223832 -0.9529839     1.767250  
1 1 1 -11 26 10 o 28.15257 0.6927175 7.911648       0.3893055 8.617827       0.5666238 7.280230       0.5357913 2.373781       1.385435  
1 1 1 -11 26 11 o 26.51046 0.7075526 7.019150       0.3742515 6.364941       0.5165161 7.742224       0.5430211 -2.595984      1.415105  
1 1 1 -11 26 12 o 35.31519 0.6842749 12.41724       0.4819331 11.33801       0.6551287 13.69005       0.7114639 -3.326641      1.368550  
1 1 1 -11 26 13 o 51.14880 0.7356143 26.19076       0.7523873 25.78049       1.052210  26.62002       1.076270  -0.8190613     1.471229  
1 1 1 -11 26 14 o 59.90224 0.7939454 35.94042       0.9511476 36.27264       1.352002  35.61486       1.338354  0.5480270      1.587891  
1 1 1 -11 26 15 o 30.10026 0.6863891 8.558938       0.4012641 11.91746       0.6626141 6.614054       0.5042360 8.798986       1.372778  
1 1 1 -11 26 16 o 16.75300 0.8913774 2.862522       0.2931843 2.322183       0.4255978 3.350520       0.4044597 -3.070981      1.782755  
1 1 1 -11 26 17 o 53.18674 0.7498991 28.20327       0.7956928 26.46778       1.079782  30.26554       1.177059  -3.562668      1.499798  
1 1 1 -11 26 18 o 9.982199 1.378136  0.9891120      0.2674456 1.483795       0.4131320 0.6322491      0.3508941 4.345939       2.756273  
1 1 1 -11 26 19 o 70.88115 0.8786045 49.99977       1.239540  53.93068       1.867941  46.90685       1.656918  4.935043       1.757209  
1 1 1 -11 26 20 o 59.25534 0.7911310 35.07063       0.9357262 36.87568       1.377206  33.52284       1.275295  2.820415       1.582262  
1 1 1 -11 26 21 o 69.05914 0.8631998 47.73636       1.190941  49.19959       1.733769  46.42916       1.638737  1.996643       1.726400  
1 1 1 -11 26 22 o 55.25824 0.7664911 30.44151       0.8448957 28.42471       1.146079  32.84241       1.250459  -3.988029      1.532982  
1 1 1 -11 26 23 o 65.00352 0.8361601 42.33988       1.086727  42.93246       1.560339  41.78167       1.514419  0.8805542      1.672320  
1 1 1 -11 26 24 o 50.54559 0.7484867 25.56927       0.7557120 26.16895       1.101376  25.03576       1.038840  1.115101       1.496973  
1 1 1 -11 26 25 o 11.32523 1.365541  1.285208       0.2994574 1.588812       0.4592968 1.060719       0.3949443 2.482056       2.731081  
1 1 1 -11 26 26 o 37.59007 0.7123284 14.07528       0.5336259 15.12563       0.7968310 13.22117       0.7185476 2.525707       1.424657  
1 1 1 -11 26 27 o 31.14360 0.7380322 9.653873       0.4571501 10.32139       0.6916045 9.135918       0.6092196 1.894957       1.476064  
1 1 1 -11 26 28 o 37.76900 0.7246791 14.30671       0.5464261 13.26826       0.7702512 15.35882       0.7753000 -2.767059      1.449358  
1 1 1 -11 26 29 o 63.17352 0.8391855 39.58912       1.053570  36.27417       1.397143  43.95925       1.604165  -6.057297      1.678371  
1 1 1 -11 26 30 o 69.72286 0.8864421 48.76961       1.235915  48.86152       1.764153  48.68102       1.731987  0.1252594      1.772884  
1 1 1 -11 26 31 o 34.34159 0.7414041 11.79480       0.5062615 10.12634       0.6979496 13.64734       0.7354451 -5.122210      1.482808  
1 1 1 -11 26 32 o 29.15980 0.7651804 8.506269       0.4436620 8.706462       0.6676348 8.347949       0.5937157 0.6053829      1.530361  
1 1 1 -11 26 33 o 12.27219 1.445421  1.679220       0.3225940 1.045753       0.4973356 2.139332       0.4238571 -4.632504      2.890842  
1 1 1 -11 26 34 o 12.02554 1.502843  1.538147       0.3403602 1.268658       0.5324252 1.724382       0.4426083 -2.118908      3.005686  
1 1 1 -11 26 35 o 40.73276 0.7661668 16.66619       0.6229915 15.56801       0.8841527 17.74907       0.8779660 -2.678120      1.532334  
1 1 1 -11 26 36 f 40.65906 1.075485  16.72899       0.8692011 14.93135       1.247440  18.42540       1.211806  -4.303921      2.150969  
1 1 1 -11 26 37 o 26.10666 1.173855  6.813176       0.5997950 7.131308       0.9614555 6.610483       0.7674415 0.9524517      2.347711  
1 1 1 -11 26 38 o 55.72293 0.8294660 31.07709       0.9229632 29.09899       1.266234  33.31941       1.348147  -3.773132      1.658932  
1 1 1 -11 26 39 o 15.84229 1.191837  2.473796       0.3698934 2.817434       0.5995771 2.262647       0.4699906 1.716456       2.383674  
1 1 1 -11 26 40 o 30.00572 0.8655977 9.158401       0.5115386 8.256272       0.7703565 9.869905       0.6841428 -2.705160      1.731195  
1 1 1 -11 26 41 o 15.49900 1.341640  2.511869       0.3994434 2.071708       0.6249386 2.815904       0.5193893 -2.432443      2.683279  
1 1 1 -11 26 42 o 35.94748 0.8308100 13.06502       0.5935443 11.88886       0.8615974 14.12732       0.8188313 -3.122227      1.661620  
1 1 1 -11 26 43 o 61.42228 0.8835867 37.93604       1.084911  36.41529       1.528061  39.48188       1.540609  -2.493572      1.767173  
1 1 1 -11 26 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 27 1  o 41.13318 0.8564108 16.87790       0.7027797 15.84775       0.9537703 18.10160       1.039518  -2.732056      1.712822  
1 1 1 -11 27 2  f 116.5133 1.795431  136.6917       4.175097  142.1839       6.147344  131.9891       5.688298  4.289398       3.590862  
1 1 1 -11 27 3  f 64.10194 1.093854  41.16043       1.400555  39.85131       1.922321  42.64155       2.044708  -2.162540      2.187707  
1 1 1 -11 27 4  o 27.68717 0.7489017 7.760976       0.4078983 8.212007       0.5401540 7.162476       0.6222233 1.901632       1.497803  
1 1 1 -11 27 5  o 62.51555 0.8066294 39.14382       1.008264  38.65243       1.406430  39.66339       1.446203  -0.8052483     1.613259  
1 1 1 -11 27 6  o 55.47620 0.7594159 30.81225       0.8423221 30.22198       1.173244  31.44013       1.210056  -1.095001      1.518832  
1 1 1 -11 27 7  o 85.99495 1.002412  74.05634       1.722179  76.50717       2.507475  71.86790       2.369440  2.683060       2.004824  
1 1 1 -11 27 8  o 23.51056 0.7314701 5.535144       0.3438940 5.402116       0.4830486 5.671860       0.4896987 -0.5731602     1.462940  
1 1 1 -11 27 9  o 27.97775 0.7047030 7.678658       0.3884007 9.856109       0.5940003 6.052371       0.5133471 6.791903       1.409406  
1 1 1 -11 27 10 o 75.79282 0.9155748 57.49549       1.386228  55.79317       1.904950  59.41161       2.021042  -2.375923      1.831150  
1 1 1 -11 27 11 o 26.87536 0.7234173 7.182313       0.3871425 8.187289       0.5732903 6.339808       0.5249078 3.433456       1.446835  
1 1 1 -11 27 12 o 42.05194 0.7019033 17.68738       0.5899364 17.07841       0.8165091 18.35247       0.8532984 -1.512142      1.403807  
1 1 1 -11 27 13 o 48.74894 0.7265717 23.78687       0.7081583 24.48748       1.016931  23.12727       0.9867260 1.392769       1.453143  
1 1 1 -11 27 14 o 81.31797 0.9658673 66.31419       1.570828  66.69982       2.227717  65.93284       2.215309  0.4702911      1.931735  
1 1 1 -11 27 15 o 32.46382 0.6855696 10.49505       0.4436074 11.27377       0.6616260 9.859088       0.5979125 2.174000       1.371139  
1 1 1 -11 27 16 o 73.06633 0.9020179 52.22998       1.295830  46.91924       1.657801  60.57106       2.077618  -9.298904      1.804036  
1 1 1 -11 27 17 o 103.8137 1.171575  108.2113       2.431668  106.4879       3.385511  110.0478       3.494894  -1.699600      2.343149  
1 1 1 -11 27 18 o 35.04834 0.7015827 12.15348       0.4877338 10.20935       0.6537245 14.59437       0.7324966 -6.249096      1.403165  
1 1 1 -11 27 19 f 25.54249 0.7384847 6.367795       0.3723173 7.750275       0.5849292 5.426178       0.4827373 4.540188       1.476969  
1 1 1 -11 27 20 o 16.86264 1.002281  2.984851       0.3180495 1.862138       0.4553526 4.054329       0.4444261 -6.501451      2.004562  
1 1 1 -11 27 21 o 38.77939 0.7075443 14.89828       0.5453293 12.90683       0.7313187 17.39247       0.8184382 -5.775475      1.415089  
1 1 1 -11 27 22 o 6.572743 1.612589  0.3780312      0.2714216 0.1423195      0.4126442 0.5577808      0.3603455 -1.671678      3.225178  
1 1 1 -11 27 23 o 31.10242 0.7155393 9.469456       0.4399459 11.46900       0.6850109 8.065637       0.5739687 5.460421       1.431079  
1 1 1 -11 27 24 o 42.62986 0.7220430 18.13181       0.6142699 16.75934       0.8386169 19.72061       0.9022917 -3.466927      1.444086  
1 1 1 -11 27 25 o 19.21083 0.8975236 3.552313       0.3376397 4.702694       0.5417546 2.821695       0.4317447 4.881666       1.795047  
1 1 1 -11 27 26 o 34.05017 1.140904  11.65090       0.7764391 11.51379       1.075880  11.79993       1.121652  -0.4125404     2.281809  
1 1 1 -11 27 27 o 42.17966 0.7374427 17.78822       0.6210647 16.42766       0.8570471 19.29276       0.9012555 -3.391514      1.474885  
1 1 1 -11 27 28 o 7.811632 1.687346  0.6268426      0.2959928 0.4009394      0.4600358 0.7864264      0.3866560 -1.691363      3.374691  
1 1 1 -11 27 29 o 23.74615 0.8148853 5.615334       0.3847397 6.021540       0.5832769 5.302470       0.5118932 1.504484       1.629771  
1 1 1 -11 27 30 o 8.839420 1.694106  0.7778521      0.3005565 1.017672       0.4949166 0.6377306      0.3783047 1.970167       3.388212  
1 1 1 -11 27 31 o 13.94488 1.199836  1.879598       0.3216703 2.801386       0.5086591 1.265289       0.4152453 5.488462       2.399673  
1 1 1 -11 27 32 o 40.28104 0.7509254 16.17242       0.6026016 17.37823       0.9022177 15.20126       0.8096865 2.689911       1.501851  
1 1 1 -11 27 33 o 10.76853 1.907943  1.104746       0.4145141 1.850477       0.6842408 0.6723958      0.5209978 4.969943       3.815885  
1 1 1 -11 27 34 o 65.24893 1.212471  42.87007       1.581050  40.62899       2.199049  45.26813       2.274758  -3.537178      2.424941  
1 1 1 -11 27 35 f 60.60487 0.8463994 36.86033       1.025138  37.31139       1.482685  36.44722       1.418944  0.7021866      1.692799  
1 1 1 -11 27 36 o 57.04717 0.8274459 32.60276       0.9429615 30.69874       1.300133  34.71591       1.369681  -3.508804      1.654892  
1 1 1 -11 27 37 o 12.04824 1.580476  1.418337       0.3654027 2.080817       0.5915513 1.009612       0.4646455 4.561326       3.160951  
1 1 1 -11 27 38 o 34.50318 0.7933292 11.96862       0.5445212 11.78014       0.8096545 12.12427       0.7357745 -0.5116425     1.586658  
1 1 1 -11 27 39 o 22.78511 0.9519309 5.228358       0.4249402 5.192554       0.6709071 5.252346       0.5491321 -0.1579056     1.903862  
1 1 1 -11 27 40 o 53.78327 0.8314242 29.07154       0.8930696 28.97389       1.296743  29.15965       1.231744  -0.1860924     1.662848  
1 1 1 -11 27 41 o 31.26051 0.8600420 9.905181       0.5328038 8.566680       0.7654187 11.16343       0.7421182 -4.158310      1.720084  
1 1 1 -11 27 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 28 1  o 97.03658 1.105841  94.54448       2.146057  94.22794       3.019589  94.86756       3.050615  -0.3255005     2.211683  
1 1 1 -11 28 2  o 54.83961 0.7564274 30.02931       0.8281916 31.98031       1.215224  28.33725       1.131710  3.314106       1.512855  
1 1 1 -11 28 3  f 24.18770 0.7057232 5.862478       0.3411936 5.939655       0.4762956 5.781131       0.4889962 0.3287487      1.411446  
1 1 1 -11 28 4  f 56.20874 0.7674198 31.40084       0.8589302 34.49498       1.290332  28.93886       1.150996  4.929855       1.534840  
1 1 1 -11 28 5  o 35.17534 0.6791563 12.35430       0.4770294 11.70595       0.6527381 13.09751       0.6988645 -1.974361      1.358313  
1 1 1 -11 28 6  f 51.46844 0.7386591 26.30852       0.7567528 28.99097       1.139736  24.19353       1.012029  4.649490       1.477318  
1 1 1 -11 28 7  o 14.85896 0.9627305 2.216315       0.2848874 2.487523       0.4077495 1.957657       0.3982033 1.781907       1.925461  
1 1 1 -11 28 8  o 48.62432 0.7266591 23.60348       0.7054264 25.19730       1.034783  22.21968       0.9641997 3.055786       1.453318  
1 1 1 -11 28 9  o 69.62852 0.8705564 48.46626       1.209865  46.53200       1.648562  50.72412       1.781133  -2.996559      1.741113  
1 1 1 -11 28 10 o 45.94393 0.7178358 21.14199       0.6595362 20.90487       0.9246470 21.38758       0.9410186 -0.5239143     1.435672  
1 1 1 -11 28 11 o 29.67777 0.7089767 8.765914       0.4194031 7.930089       0.5685778 9.763466       0.6211546 -3.084257      1.417953  
1 1 1 -11 28 12 o 67.46872 0.8536990 45.60430       1.151512  46.80710       1.656886  44.48057       1.601495  1.718300       1.707398  
1 1 1 -11 28 13 o 50.60610 0.7436754 25.52014       0.7504218 27.51670       1.115300  23.86856       1.014377  3.594994       1.487351  
1 1 1 -11 28 14 o 57.85558 0.7860726 33.54756       0.9095724 33.57031       1.287522  33.52490       1.285141  0.3899765E-01  1.572145  
1 1 1 -11 28 15 o 85.51762 1.097659  73.10919       1.842362  71.69375       2.375697  75.24483       2.918165  -1.998756      2.195319  
1 1 1 -11 28 16 o 11.30552 1.312202  1.429762       0.2682190 0.8128904      0.4051215 1.911187       0.3578918 -4.994531      2.624404  
1 1 1 -11 28 17 o 62.04893 0.8097554 38.59327       1.004842  38.15063       1.413318  39.04575       1.428932  -0.7195930     1.619511  
1 1 1 -11 28 18 o 63.81140 0.8254697 40.68164       1.051028  42.88150       1.552472  38.82021       1.428066  3.168316       1.650939  
1 1 1 -11 28 19 o 76.62483 0.9285002 58.82521       1.421582  57.05212       1.959160  60.79681       2.065928  -2.429955      1.857000  
1 1 1 -11 28 20 o 40.54521 0.7064379 16.30975       0.5695806 18.00929       0.8638152 15.00244       0.7576108 3.697548       1.412876  
1 1 1 -11 28 21 o 30.26023 0.7166799 9.152486       0.4317339 9.410645       0.6460584 8.944178       0.5803427 0.7640018      1.433360  
1 1 1 -11 28 22 o 63.05206 0.8308293 39.40333       1.039596  43.57363       1.595926  36.32938       1.370180  5.717255       1.661659  
1 1 1 -11 28 23 o 78.56848 0.9563960 61.94725       1.502610  61.00996       2.102065  62.92661       2.148725  -1.213181      1.912792  
1 1 1 -11 28 24 o 28.56442 0.9791843 7.523371       0.4882909 9.595828       1.016999  6.902493       0.5566485 4.646719       1.958369  
1 1 1 -11 28 25 o 92.76173 1.081648  86.50266       2.006697  86.49290       2.843292  86.51234       2.832533  -0.1233673E-01 2.163297  
1 1 1 -11 28 26 o 30.90302 0.7542779 9.578407       0.4622170 7.990705       0.6404777 11.30405       0.6677200 -5.357414      1.508556  
1 1 1 -11 28 27 o 24.25043 0.8147860 5.840730       0.3923106 6.383190       0.6002829 5.436293       0.5183195 1.940613       1.629572  
1 1 1 -11 28 28 o 12.13894 1.343264  1.459282       0.3190066 1.616099       0.5172996 1.363049       0.4052336 1.015763       2.686527  
1 1 1 -11 28 29 o 23.69131 0.9631804 5.445470       0.4268653 6.182323       0.7721680 5.121182       0.5122560 2.195332       1.926361  
1 1 1 -11 28 30 o 21.30653 1.105586  4.466286       0.4642545 5.170942       0.7373083 4.003376       0.5975963 2.711651       2.211173  
1 1 1 -11 28 31 o 10.25232 1.543293  1.120790       0.3805042 -0.1230786     0.5602983 2.185470       0.5183723 -8.938253      3.086585  
1 1 1 -11 28 32 o 19.25223 0.9903732 3.655474       0.3755721 4.131764       0.5968252 3.343208       0.4832522 2.025549       1.980746  
1 1 1 -11 28 33 o 33.35740 0.7887102 11.01630       0.5217809 12.33891       0.8040240 10.05402       0.6858130 3.405811       1.577420  
1 1 1 -11 28 34 o 61.65872 0.8553287 38.19781       1.054409  37.97910       1.508591  38.40670       1.474317  -0.3532562     1.710657  
1 1 1 -11 28 35 o 38.79897 0.7745666 15.11858       0.5996839 14.97700       0.8758926 15.24350       0.8227611 -0.3525085     1.549133  
1 1 1 -11 28 36 o 15.62141 1.377506  2.687010       0.3846413 1.649832       0.5760627 3.521430       0.5166966 -6.174593      2.755012  
1 1 1 -11 28 37 f 12.55360 1.491750  1.644335       0.3543218 1.538663       0.5633891 1.713481       0.4557327 -0.9398794     2.983499  
1 1 1 -11 28 38 o 27.54303 0.8723781 7.585356       0.4762739 7.931643       0.7303622 7.329150       0.6282240 1.071289       1.744756  
1 1 1 -11 28 39 o 42.72036 0.7980089 18.34487       0.6802432 18.11025       0.9929451 18.55236       0.9337955 -0.5289841     1.596018  
1 1 1 -11 28 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 29 1  o 48.16482 0.7274563 23.20146       0.7000051 22.30100       0.9630966 24.20988       1.019197  -1.976067      1.454913  
1 1 1 -11 29 2  o 99.83055 1.428793  100.1763       2.645623  99.73359       3.189739  101.1523       4.735910  -0.4164658     2.857586  
1 1 1 -11 29 3  o 7.546700 2.225255  0.1300967      0.5584304 0.1774458      0.7944305 0.8384968E-01  0.7851313 0.2687330      4.450509  
1 1 1 -11 29 4  o 32.85601 1.189877  10.85482       0.7812881 10.88395       1.084627  10.82340       1.126372  0.9885406E-01  2.379755  
1 1 1 -11 29 5  o 64.66060 1.271779  41.55571       1.633637  46.69203       2.492426  37.68722       2.163051  6.906422       2.543558  
1 1 1 -11 29 6  o 41.92131 0.9376049 17.29714       0.7007623 18.37601       1.359190  16.90653       0.8178399 1.685398       1.875210  
1 1 1 -11 29 7  o 65.23056 0.8406377 42.31522       1.091148  46.13699       1.647703  39.33015       1.456211  5.195702       1.681275  
1 1 1 -11 29 8  o 71.28019 0.8868732 50.92046       1.263545  49.84673       1.750049  52.08970       1.826230  -1.564178      1.773746  
1 1 1 -11 29 9  o 74.47943 0.9116284 55.53512       1.355853  53.71495       1.856096  57.61763       1.985354  -2.603966      1.823257  
1 1 1 -11 29 10 o 32.99583 0.7044165 10.85446       0.4633809 12.14040       0.6803201 9.741585       0.6328868 3.630474       1.408833  
1 1 1 -11 29 11 o 65.13385 0.8394243 42.21258       1.087880  39.48125       1.451545  45.71281       1.643210  -4.761650      1.678849  
1 1 1 -11 29 12 o 57.17362 0.7852769 32.54724       0.8945913 35.37665       1.337511  30.25686       1.203379  4.462914       1.570554  
1 1 1 -11 29 13 o 11.32602 1.304889  1.291239       0.2954501 1.296165       0.4246227 1.286616       0.4113523 0.3974152E-01  2.609779  
1 1 1 -11 29 14 o 27.74428 0.7387343 7.690413       0.4091919 8.338847       0.5964736 7.113952       0.5623980 2.203915       1.477469  
1 1 1 -11 29 15 o 22.62061 0.8029323 5.121919       0.3627419 5.522615       0.5237407 4.752501       0.5028836 1.699829       1.605865  
1 1 1 -11 29 16 o 75.80313 0.9244648 57.63432       1.401158  56.41620       1.953693  58.92443       2.010605  -1.646782      1.848930  
1 1 1 -11 29 17 o 44.92295 0.7241810 20.21365       0.6503507 19.37307       0.9092376 21.09420       0.9306040 -1.913380      1.448362  
1 1 1 -11 29 18 o 54.63712 0.7739516 29.91686       0.8454013 30.25689       1.215330  29.59807       1.176759  0.5985031      1.547903  
1 1 1 -11 29 19 o 7.758801 1.228417  0.5503209      0.2733282 -0.5709259     0.4260938 1.334302       0.3562930 -7.526298      2.456835  
1 1 1 -11 29 20 o 58.09580 0.7976264 33.84690       0.9267240 33.40444       1.309488  34.29086       1.311687  -0.7626228     1.595253  
1 1 1 -11 29 21 o 11.06750 1.374594  1.194194       0.2906653 1.713310       0.4680491 0.8683133      0.3708416 3.946476       2.749187  
1 1 1 -11 29 22 o 61.70943 0.8307403 38.20997       1.025231  37.84019       1.452391  38.57721       1.447414  -0.5978737     1.661481  
1 1 1 -11 29 23 o 41.98840 0.7425184 17.68802       0.6231611 17.05252       0.8840494 18.31562       0.8785421 -1.504818      1.485037  
1 1 1 -11 29 24 f 42.87809 0.7448747 18.44610       0.6384242 17.89678       0.9078662 18.98349       0.8979517 -1.268513      1.489749  
1 1 1 -11 29 25 o 17.30751 1.058829  3.134668       0.3503806 2.179894       0.5117880 3.976965       0.4806981 -5.197165      2.117657  
1 1 1 -11 29 26 o 7.421572 1.810409  0.2172598      0.3646541 1.043486       0.6070966 -0.2490745     0.4560968 5.145277       3.620819  
1 1 1 -11 29 27 o 15.05843 1.598508  2.597331       0.4214530 1.337175       0.6351749 3.588508       0.5633222 -7.659370      3.197016  
1 1 1 -11 29 28 o 30.84672 0.8881647 9.654086       0.5420234 10.50577       0.7371491 8.651616       0.7997453 3.016178       1.776329  
1 1 1 -11 29 29 o 21.85608 0.9121299 4.854696       0.3936971 4.338716       0.5847043 5.282643       0.5324944 -2.168821      1.824260  
1 1 1 -11 29 30 o 55.12979 0.8105651 30.51275       0.8935661 30.24676       1.272328  30.77164       1.255232  -0.4788818     1.621130  
1 1 1 -11 29 31 o 17.92804 1.069191  3.284336       0.3739327 2.999731       0.5830910 3.483142       0.4873388 -1.370567      2.138383  
1 1 1 -11 29 32 o 11.27802 1.570440  1.396751       0.3352685 0.9886494      0.5279865 1.672486       0.4339952 -3.194613      3.140880  
1 1 1 -11 29 33 o 26.90312 0.8348033 7.289725       0.4463334 7.076684       0.6643282 7.465014       0.6025987 -0.7331829     1.669607  
1 1 1 -11 29 34 o 36.57583 0.7885959 13.45710       0.5752636 12.30293       0.8135265 14.61137       0.8135645 -3.155685      1.577192  
1 1 1 -11 29 35 f 27.50548 0.8664135 7.649561       0.4720998 7.240266       0.7072014 7.978581       0.6340693 -1.357662      1.732827  
1 1 1 -11 29 36 o 25.98432 0.8864012 6.866147       0.4552171 5.855355       0.6584888 7.791380       0.6300040 -3.731615      1.772802  
1 1 1 -11 29 37 o 24.23021 1.836845  4.876217       0.6902108 7.996079       1.776191  4.321319       0.7490805 7.119354       3.673689  
1 1 1 -11 29 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 30 1  o 26.95678 0.7051468 7.241144       0.3790017 6.547566       0.5158224 8.054890       0.5587232 -2.791359      1.410294  
1 1 1 -11 30 2  o 43.10598 0.7045469 18.52871       0.6056774 17.44424       0.8196232 19.83335       0.8989809 -2.762981      1.409094  
1 1 1 -11 30 3  o 37.95246 0.6952776 14.42731       0.5275668 14.97448       0.7534750 13.90108       0.7389222 1.412651       1.390555  
1 1 1 -11 30 4  o 38.95865 0.7035960 14.96233       0.5436324 13.24000       0.7155032 17.31441       0.8361410 -5.216682      1.407192  
1 1 1 -11 30 5  o 21.37976 0.7930769 4.585832       0.3378790 5.104446       0.4831130 4.089285       0.4727226 2.372913       1.586154  
1 1 1 -11 30 6  o 38.18182 0.6996087 14.55596       0.5332335 13.74575       0.7274632 15.49678       0.7839082 -2.287216      1.399217  
1 1 1 -11 30 7  o 30.53853 0.7071052 9.341376       0.4317839 9.102171       0.6037386 9.591831       0.6177725 -0.8002510     1.414210  
1 1 1 -11 30 8  o 36.63437 0.7065102 13.25586       0.5138467 11.49616       0.6827868 15.55418       0.7803183 -5.528408      1.413020  
1 1 1 -11 30 9  o 55.15282 0.8575159 30.46792       0.9280942 30.28572       1.200020  30.73912       1.464057  -0.3776855     1.715032  
1 1 1 -11 30 10 o 57.82119 1.035300  32.58091       1.066841  31.43996       1.241437  35.80304       2.086238  -3.644722      2.070601  
1 1 1 -11 30 11 o 85.95860 1.495615  74.58656       2.570743  74.18712       3.597033  75.00359       3.675393  -0.4572220     2.991231  
1 1 1 -11 30 12 o 19.98128 1.529645  4.043016       0.6084369 4.509071       0.8633851 3.583224       0.8575637 2.315426       3.059290  
1 1 1 -11 30 13 o 73.52844 1.358291  54.39408       1.995215  56.99212       2.906666  52.07920       2.743701  3.306023       2.716582  
1 1 1 -11 30 14 o 12.30982 1.829710  1.614707       0.3893623 1.460410       0.7772816 1.666394       0.4498756 -1.108475      3.659421  
1 1 1 -11 30 15 o 17.96041 1.554077  3.955822       0.4295661 2.133934       0.7895154 4.721961       0.5119808 -7.468390      3.108153  
1 1 1 -11 30 16 o 59.80611 0.8104377 35.88012       0.9692664 35.94740       1.382078  35.81500       1.359696  0.1075974      1.620875  
1 1 1 -11 30 17 o 39.29630 0.7148941 15.44069       0.5607880 16.10957       0.8244439 14.86475       0.7650325 1.576492       1.429788  
1 1 1 -11 30 18 o 52.51945 0.7677262 27.66260       0.8063161 27.08097       1.136159  28.25281       1.144493  -1.114498      1.535452  
1 1 1 -11 30 19 o 53.30644 0.7803664 28.50143       0.8319073 28.55011       1.184316  28.45401       1.168826  0.8800888E-01  1.560733  
1 1 1 -11 30 20 o 16.24649 1.004754  2.611243       0.3219375 2.895998       0.5081983 2.420371       0.4160730 1.447426       2.009508  
1 1 1 -11 30 21 o 11.64665 1.495396  1.378328       0.3374100 1.770710       0.5054591 1.062953       0.4531540 3.199289       2.990791  
1 1 1 -11 30 22 f 33.58834 0.8804128 11.59275       0.5609775 10.44021       0.9318350 12.24790       0.7025520 -2.726738      1.760826  
1 1 1 -11 30 23 o 60.73904 1.117605  37.12617       1.355971  37.34597       1.969697  36.92816       1.869488  0.3229370      2.235211  
1 1 1 -11 30 24 o 10.69915 1.631839  1.100181       0.3787315 2.185946       0.5791937 0.2891564      0.5005796 8.014997       3.263678  
1 1 1 -11 30 25 o 37.18737 0.7497233 13.88372       0.5566339 13.67120       0.8079407 14.07574       0.7679773 -0.5498772     1.499447  
1 1 1 -11 30 26 o 20.94363 0.9086390 4.365141       0.3758080 4.662436       0.5871957 4.158883       0.4890970 1.184210       1.817278  
1 1 1 -11 30 27 o 8.830722 1.697976  0.8466588      0.3155676 0.5514111      0.4995089 1.042766       0.4070959 -2.256104      3.395952  
1 1 1 -11 30 28 f 14.37841 1.330134  2.011155       0.3494047 3.276320       0.5606002 1.207487       0.4468047 7.306847       2.660267  
1 1 1 -11 30 29 o 37.42171 0.7654681 13.92386       0.5691413 15.17641       0.8673909 12.97688       0.7542015 2.919735       1.530936  
1 1 1 -11 30 30 o 35.30223 0.7732655 12.54025       0.5444328 11.56737       0.7748828 13.48872       0.7650988 -2.722977      1.546531  
1 1 1 -11 30 31 o 20.02305 0.9848981 3.992840       0.3916570 4.385623       0.5985644 3.698767       0.5179200 1.696665       1.969796  
1 1 1 -11 30 32 o 24.49607 0.8951615 6.115541       0.4322492 5.383683       0.6425501 6.720503       0.5841937 -2.741327      1.790323  
1 1 1 -11 30 33 o 27.98128 0.8261218 7.739328       0.4583627 8.931256       0.7061218 6.871356       0.6025695 3.659323       1.652244  
1 1 1 -11 30 34 o 12.74101 1.880320  1.897943       0.4159599 1.257825       0.8102371 2.127030       0.4847107 -3.547397      3.760640  
1 1 1 -11 30 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 31 1  o 22.79396 0.7568517 5.202789       0.3447773 4.990735       0.4769181 5.434941       0.4990093 -0.9714527     1.513703  
1 1 1 -11 31 2  o 13.51391 1.054403  1.830466       0.2828773 1.540624       0.3884102 2.157852       0.4128009 -2.279177      2.108806  
1 1 1 -11 31 3  o 11.16483 1.297280  1.298139       0.2730980 1.785486       0.3951447 0.8524678      0.3778718 4.322021       2.594561  
1 1 1 -11 31 4  o 30.58904 0.7102804 9.286015       0.4323356 8.283726       0.5793986 10.54513       0.6494020 -3.687687      1.420561  
1 1 1 -11 31 5  o 42.72881 0.7162157 18.30465       0.6120315 18.51087       0.8655352 18.09842       0.8655513 0.4826431      1.432431  
1 1 1 -11 31 6  o 33.59274 0.7087016 11.31305       0.4761356 11.34044       0.6717837 11.28540       0.6749420 0.8230972E-01  1.417403  
1 1 1 -11 31 7  f 54.85907 0.7802372 30.03461       0.8535265 28.27050       1.153998  32.16518       1.268206  -3.534035      1.560474  
1 1 1 -11 31 8  o 34.56417 0.7129313 11.97649       0.4928256 12.06645       0.6998500 11.88799       0.6941068 0.2574387      1.425863  
1 1 1 -11 31 9  f 35.05947 0.7199785 12.13200       0.5005054 14.55013       0.7601445 10.28132       0.6650014 6.075916       1.439957  
1 1 1 -11 31 10 o 20.17464 0.8797103 4.073117       0.3539446 4.532737       0.5151359 3.662092       0.4871428 2.153437       1.759421  
1 1 1 -11 31 11 o 56.66518 0.7944137 32.00632       0.8972491 34.80489       1.337562  29.71671       1.209835  4.471794       1.588827  
1 1 1 -11 31 12 o 81.39973 0.9870907 66.44699       1.604524  64.28687       2.196943  68.91640       2.348955  -2.817223      1.974181  
1 1 1 -11 31 13 o 73.67819 0.9197152 54.44976       1.354279  56.18756       1.961429  52.86653       1.872168  2.239235       1.839430  
1 1 1 -11 31 14 o 40.53786 0.7356690 16.31184       0.5934018 14.72781       0.7931163 18.32616       0.8943722 -4.425034      1.471338  
1 1 1 -11 31 15 f 87.96300 1.039771  77.78169       1.828833  77.02058       2.555215  78.58107       2.618672  -0.8751907     2.079542  
1 1 1 -11 31 16 o 38.37790 0.7318044 14.55983       0.5571781 12.36963       0.7426000 17.38108       0.8428181 -6.515770      1.463609  
1 1 1 -11 31 17 o 20.05173 0.8744074 4.083107       0.3458400 3.694352       0.5186719 4.394300       0.4640560 -1.754150      1.748815  
1 1 1 -11 31 18 o 60.32560 0.9849113 36.59040       1.129995  36.55561       1.921532  36.60879       1.397107  -0.1413765     1.969823  
1 1 1 -11 31 19 o 10.56707 2.917198  1.178597       0.6363910 1.178597       0.6363910 ?              ?         ?              ?         
1 1 1 -11 31 20 o 34.06754 0.9489587 11.51027       0.6406934 12.79720       0.9907060 10.58513       0.8399881 3.218121       1.897917  
1 1 1 -11 31 21 o 9.470345 1.480209  0.7878482      0.3071439 1.751937       0.4953857 0.1858108      0.3914684 7.399914       2.960418  
1 1 1 -11 31 22 o 22.73019 0.9562140 5.227852       0.4271493 6.471259       0.6132408 4.056063       0.5953184 5.309284       1.912428  
1 1 1 -11 31 23 f 45.07813 0.9935909 20.18333       0.8192996 19.80940       0.9737141 21.08992       1.516137  -1.304962      1.987182  
1 1 1 -11 31 24 f 15.01388 1.609860  2.079396       0.4495069 1.759688       0.5303613 2.894768       0.8469784 -3.665286      3.219719  
1 1 1 -11 31 25 o 11.48445 1.908975  1.468250       0.4548029 1.961738       0.5928806 0.7626320      0.7089468 4.847099       3.817951  
1 1 1 -11 31 26 f 17.78183 1.736948  3.296017       0.5834258 4.302204       0.8409801 2.362448       0.8100654 5.650493       3.473896  
1 1 1 -11 31 27 o 41.07661 1.168047  16.97523       0.9582582 18.04574       1.398864  16.02872       1.315351  2.432819       2.336093  
1 1 1 -11 31 28 o 26.94924 1.337801  7.291706       0.7171718 8.443926       1.063755  6.331581       0.9710417 3.889656       2.675602  
1 1 1 -11 31 29 o 20.47994 1.550516  4.169743       0.6248134 5.398202       0.9593452 3.264791       0.8233930 5.156155       3.101032  
1 1 1 -11 31 30 o 30.10429 1.282292  9.150402       0.7680376 7.932009       1.061066  10.49133       1.113143  -4.234194      2.564584  
1 1 1 -11 31 31 o 14.46057 2.955904  0.000000       0.000000  ?              ?         2.227240       0.8253468 ?              ?         
1 1 1 -11 31 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 32 1  o 38.89170 0.7129216 15.08068       0.5529395 13.84989       0.7500875 16.54553       0.8183075 -3.456146      1.425843  
1 1 1 -11 32 2  o 63.73031 0.8438141 40.65321       1.073556  38.87087       1.464927  42.72086       1.577825  -3.002182      1.687628  
1 1 1 -11 32 3  o 43.66337 0.7287703 19.00115       0.6342379 17.69219       0.8549731 20.60295       0.9457815 -3.320480      1.457541  
1 1 1 -11 32 4  o 39.52918 0.7314371 15.63862       0.5776178 16.65487       0.8375021 14.71666       0.7977005 2.446049       1.462874  
1 1 1 -11 32 5  o 24.96992 0.7696000 6.256341       0.3840648 5.960979       0.5412207 6.555952       0.5450994 -1.190807      1.539200  
1 1 1 -11 32 6  o 27.28867 0.7548178 7.424931       0.4093322 6.326173       0.5577196 8.707873       0.6026548 -4.357426      1.509636  
1 1 1 -11 32 7  o 7.639828 1.558586  0.5403942      0.2849480 1.007113       0.4099097 0.1039657      0.3963851 4.289874       3.117171  
1 1 1 -11 32 8  o 81.46169 0.9854826 66.64790       1.604387  65.12608       2.217865  68.31844       2.323726  -1.939240      1.970965  
1 1 1 -11 32 9  o 9.948108 1.469647  1.051144       0.3028787 0.3749349      0.4243988 1.753035       0.4323832 -6.486814      2.939295  
1 1 1 -11 32 10 o 81.28619 0.9844874 66.39421       1.599957  67.76514       2.299767  65.10828       2.227334  1.620262       1.968975  
1 1 1 -11 32 11 o 12.51657 1.341726  1.615314       0.3204401 2.046525       0.4623279 1.216651       0.4445371 3.473543       2.683451  
1 1 1 -11 32 12 o 61.33323 0.8334004 37.63297       1.020311  39.91326       1.501249  35.67548       1.390933  3.436436       1.666801  
1 1 1 -11 32 13 o 43.02723 0.7477680 18.44567       0.6411907 17.04583       0.8638198 20.16330       0.9568627 -3.608791      1.495536  
1 1 1 -11 32 14 o 56.95113 1.011193  32.55491       1.140898  33.10580       1.743515  32.14238       1.508770  0.7983742      2.022386  
1 1 1 -11 32 15 o 38.59731 0.9203840 14.95750       0.7089142 15.15057       1.040626  14.79030       0.9683801 0.4532318      1.840768  
1 1 1 -11 32 16 o 37.92849 0.8636264 14.36990       0.6527144 13.57300       0.8783702 15.35255       0.9753891 -2.328445      1.727253  
1 1 1 -11 32 17 o 29.65861 0.7752343 8.876104       0.4559644 7.545078       0.6441920 10.21243       0.6454718 -4.496536      1.550469  
1 1 1 -11 32 18 o 29.43705 0.7634355 8.594060       0.4465217 9.636711       0.6805898 7.806081       0.5916616 3.094244       1.526871  
1 1 1 -11 32 19 o 37.55179 0.7333867 14.12895       0.5491448 14.40135       0.8119540 13.89931       0.7455096 0.6576004      1.466773  
1 1 1 -11 32 20 o 26.55291 0.7954316 7.106281       0.4178281 6.877843       0.6340014 7.281675       0.5555384 -0.7741299     1.590863  
1 1 1 -11 32 21 o 54.14879 0.8004555 29.35115       0.8655802 27.65738       1.186839  31.27578       1.265140  -3.327255      1.600911  
1 1 1 -11 32 22 o 23.14241 0.8859794 5.501044       0.4002306 4.269777       0.5796913 6.622574       0.5532565 -5.088491      1.771959  
1 1 1 -11 32 23 o 13.27091 1.398786  1.991779       0.3282899 1.173040       0.5073336 2.581560       0.4305922 -5.497648      2.797573  
1 1 1 -11 32 24 o 38.69460 0.7612550 15.01697       0.5879982 13.76393       0.8182065 16.35525       0.8455791 -3.343422      1.522510  
1 1 1 -11 32 25 o 9.421412 1.740011  0.9366432      0.3295053 0.9649804      0.5000085 0.9148898      0.4380883 0.2526588      3.480022  
1 1 1 -11 32 26 o 32.41940 0.7790579 10.53836       0.5029990 10.73479       0.7495205 10.37740       0.6784706 0.5373573      1.558116  
1 1 1 -11 32 27 o 25.78411 0.8603439 6.716355       0.4389255 6.427474       0.6631666 6.941556       0.5855271 -1.013109      1.720688  
1 1 1 -11 32 28 o 24.46474 2.574096  0.000000       0.000000  ?              ?         6.125115       1.259492  ?              ?         
1 1 1 -11 33 1  o 33.63499 0.7203696 11.31523       0.4838420 10.65983       0.6629387 12.06228       0.7077711 -2.077579      1.440739  
1 1 1 -11 33 2  o 54.60079 0.7903905 29.77836       0.8603624 28.10903       1.161362  31.80893       1.280870  -3.367004      1.580781  
1 1 1 -11 33 3  o 16.50446 0.9592314 2.742222       0.3162670 2.597560       0.4480818 2.885839       0.4464608 -0.8736858     1.918463  
1 1 1 -11 33 4  o 51.32490 0.7706632 26.40857       0.7905793 27.42875       1.142783  25.47217       1.094852  1.897812       1.541326  
1 1 1 -11 33 5  o 46.06491 0.7531351 21.22845       0.6927304 22.56946       1.015038  20.05933       0.9477565 2.713230       1.506270  
1 1 1 -11 33 6  o 12.13878 1.271865  1.492887       0.3077097 1.422343       0.4473310 1.556248       0.4239446 -0.5581942     2.543730  
1 1 1 -11 33 7  o 11.67626 1.434874  1.474372       0.3129897 0.8248928      0.4439805 2.116033       0.4413002 -5.634604      2.869748  
1 1 1 -11 33 8  o 55.54403 0.7980816 30.96696       0.8864487 31.60897       1.265563  30.34861       1.242025  1.130367       1.596163  
1 1 1 -11 33 9  o 53.28193 0.9141455 28.58552       0.9456294 28.34432       1.530301  28.73450       1.202742  -0.4323692     1.828291  
1 1 1 -11 33 10 o 84.39538 1.382953  72.06944       2.334031  71.32247       3.270899  72.84439       3.331574  -0.8830261     2.765906  
1 1 1 -11 33 11 o 24.28662 0.9898136 5.932806       0.4800212 5.490536       0.6712798 6.395612       0.6866873 -1.859957      1.979627  
1 1 1 -11 33 12 o 20.54462 1.010317  4.179183       0.4095728 3.857031       0.5298606 4.657411       0.6455782 -1.922117      2.020635  
1 1 1 -11 33 13 o 53.33392 0.7941470 28.52351       0.8463325 27.81121       1.167284  29.31295       1.228880  -1.397068      1.588294  
1 1 1 -11 33 14 o 15.69876 1.894406  3.302505       0.4661508 1.330549       0.8865971 4.055900       0.5480106 -8.763459      3.788813  
1 1 1 -11 33 15 o 45.73001 0.7611966 20.88704       0.6944132 19.12208       0.9465452 22.94408       1.021872  -4.165955      1.522393  
1 1 1 -11 33 16 o 37.94817 0.7506995 14.29101       0.5655515 12.12732       0.7595937 16.98242       0.8471760 -6.382004      1.501399  
1 1 1 -11 33 17 o 59.00695 0.8201866 34.75514       0.9639722 37.33461       1.445279  32.68807       1.293791  3.908325       1.640373  
1 1 1 -11 33 18 o 28.41662 0.7850315 8.107141       0.4445477 8.125616       0.6575143 8.091584       0.6033437 0.4975510E-01  1.570063  
1 1 1 -11 33 19 o 28.49740 0.7821941 8.103991       0.4425828 8.567853       0.6746832 7.753604       0.5863786 1.411655       1.564388  
1 1 1 -11 33 20 o 42.61027 0.7542154 18.14083       0.6402220 19.19876       0.9578230 17.28646       0.8607567 2.225483       1.508431  
1 1 1 -11 33 21 o 13.56388 1.279782  1.769210       0.3203935 2.837976       0.5221117 1.123656       0.4057778 6.421245       2.559563  
1 1 1 -11 33 22 o 17.88939 1.028404  3.279706       0.3612905 2.680724       0.5257272 3.815744       0.4973378 -3.179350      2.056808  
1 1 1 -11 33 23 o 31.87343 1.006640  10.26562       0.6301081 7.875646       0.8710396 12.88927       0.9126295 -7.854797      2.013280  
1 1 1 -11 33 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 34 1  o 35.30456 0.8629084 12.51465       0.6089460 12.08702       0.8443694 12.97812       0.8790357 -1.254669      1.725817  
1 1 1 -11 34 2  f 37.32321 0.8708173 13.91177       0.6479091 12.70558       0.8766605 15.36367       0.9618117 -3.542816      1.741635  
1 1 1 -11 34 3  o 44.95911 0.9297208 20.29749       0.8351911 21.17326       1.213843  19.51014       1.150942  1.835392       1.859442  
1 1 1 -11 34 4  o 45.53292 1.144568  20.82220       0.9849652 20.62591       1.206923  21.21363       1.704339  -0.5092697     2.289137  
1 1 1 -11 34 5  o 67.35710 2.352967  46.22955       3.169781  46.22955       3.169781  ?              ?         ?              ?         
1 1 1 -11 34 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 34 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 34 8  o 63.79482 1.233430  0.000000       0.000000  ?              ?         40.91247       1.573729  ?              ?         
1 1 1 -11 34 9  o 33.04810 0.8996665 10.97305       0.5917593 11.08917       0.8834591 10.87856       0.7969578 0.2994194      1.799333  
1 1 1 -11 34 10 o 38.46666 0.9013309 14.89934       0.6908749 13.31917       0.9694554 16.52998       0.9848152 -4.170063      1.802662  
1 1 1 -11 34 11 o 48.27015 0.8343135 23.28135       0.7984045 24.39617       1.223903  22.45549       1.053410  1.974438       1.668627  
1 1 1 -11 34 12 f 13.78428 2.681058  2.257095       0.7022346 2.526618       0.7671304 0.8632547      1.744529  3.889809       5.362116  
1 1 1 -11 34 13 o 21.34337 1.036784  4.598073       0.4417891 4.800526       0.6165653 4.384455       0.6333405 0.9790707      2.073567  
1 1 1 -11 34 14 f 26.60780 0.9301093 7.103408       0.4939463 6.838180       0.6729684 7.413173       0.7272797 -1.067961      1.860219  
1 1 1 -11 34 15 o 83.26772 1.097463  68.75675       1.779900  65.10773       2.247298  74.89830       2.915488  -5.699600      2.194927  
1 1 1 -11 34 16 o 14.86497 1.427304  2.409195       0.3863457 1.685825       0.5944644 2.938148       0.5083396 -4.421801      2.854608  
1 1 1 -11 34 17 o 40.51539 0.9531249 16.47316       0.7688260 14.39637       1.059131  18.78645       1.117809  -5.404049      1.906250  
1 1 1 -11 34 18 f 10.64849 3.437251  0.000000       0.000000  ?              ?         1.160502       0.8321586 ?              ?         
1 1 1 -11 34 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 35 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 35 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 35 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 35 4  f 42.07053 1.963083  0.000000       0.000000  ?              ?         17.94726       1.651759  ?              ?         
1 1 1 -11 35 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 35 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 35 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -11 35 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  2  o 50.02486 1.267738  25.07358       1.266562  25.07358       1.266562  25.07358       1.266562  -0.000000      0.000000  
1 1 1 -10 0  3  o 516.3627 9.315915  2676.018       90.52793  2682.426       156.9316  2672.822       110.8268  -0.000000      0.000000  
1 1 1 -10 0  4  f 193.5685 2.871150  375.2003       11.10278  378.7929       15.86402  371.7511       15.54428  -0.000000      0.000000  
1 1 1 -10 0  5  o 121.7137 1.842623  148.3209       4.479900  150.1063       6.416153  146.6225       6.257884  -0.000000      0.000000  
1 1 1 -10 0  6  o 89.80360 1.404197  80.75643       2.518779  81.37340       3.604231  80.16751       3.521397  -0.000000      0.000000  
1 1 1 -10 0  7  o 325.7359 4.795706  1062.900       31.20782  1053.776       43.68763  1072.407       44.59540  -0.000000      0.000000  
1 1 1 -10 0  8  o 349.1866 5.219885  1221.827       36.41764  1225.626       51.64165  1218.070       51.36412  -0.000000      0.000000  
1 1 1 -10 0  9  o 538.7257 7.932435  2868.293       84.27607  3168.827       132.5117  2664.167       109.2087  -0.000000      0.000000  
1 1 1 -10 0  10 o 462.3865 6.809326  2104.598       61.91664  2357.635       98.55811  1939.623       79.58110  -0.000000      0.000000  
1 1 1 -10 0  11 f 589.1483 8.669985  3481.881       102.0432  3438.079       142.7610  3527.639       145.9125  -0.000000      0.000000  
1 1 1 -10 0  12 o 41.66649 0.8108385 17.39440       0.6743975 17.67286       0.9669372 17.13065       0.9410729 -0.000000      0.000000  
1 1 1 -10 0  13 o 358.6293 5.275924  1288.670       37.80100  1299.116       53.95707  1278.601       52.97386  -0.000000      0.000000  
1 1 1 -10 0  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  15 o 163.3364 2.442397  267.1922       7.970552  267.6414       11.31064  266.7491       11.23388  -0.000000      0.000000  
1 1 1 -10 0  16 o 645.4021 9.488617  4180.752       122.2940  4107.157       169.6137  4260.436       176.4910  -0.000000      0.000000  
1 1 1 -10 0  17 o 384.9780 5.661413  1485.708       43.54781  1481.398       61.39552  1490.073       61.77805  -0.000000      0.000000  
1 1 1 -10 0  18 o 19.67309 0.8037740 3.907988       0.3139722 4.029017       0.4477557 3.790911       0.4403836 -0.000000      0.000000  
1 1 1 -10 0  19 f 158.5190 2.379099  251.4598       7.528971  256.9532       10.91205  246.4685       10.40144  -0.000000      0.000000  
1 1 1 -10 0  20 o 474.4417 6.985421  2257.210       66.17449  2209.458       91.57323  2309.402       95.73518  -0.000000      0.000000  
1 1 1 -10 0  21 o 288.7539 4.259079  835.5627       24.56937  827.9667       34.40954  843.4634       35.09321  -0.000000      0.000000  
1 1 1 -10 0  22 o 127.9431 1.942215  163.9389       4.964146  165.1360       7.086154  162.7853       6.956370  -0.000000      0.000000  
1 1 1 -10 0  23 o 73.03279 1.192713  53.41947       1.739862  53.97127       2.484356  52.88834       2.437389  -0.000000      0.000000  
1 1 1 -10 0  24 o 14.70854 1.012474  2.220557       0.2913024 2.502970       0.4220060 1.963512       0.4026060 -0.000000      0.000000  
1 1 1 -10 0  25 o 289.0612 4.269796  837.9797       24.66065  837.2537       34.86853  838.7063       34.88232  -0.000000      0.000000  
1 1 1 -10 0  26 o 70.29167 1.164531  49.46871       1.634556  48.46449       2.274694  50.54089       2.350385  -0.000000      0.000000  
1 1 1 -10 0  27 o 86.77429 1.386431  75.39902       2.402829  74.06554       3.353690  76.80556       3.444351  -0.000000      0.000000  
1 1 1 -10 0  28 o 165.6305 2.486122  274.8948       8.227287  275.0832       11.64178  274.7068       11.62852  -0.000000      0.000000  
1 1 1 -10 0  29 o 408.1085 6.019275  1671.500       49.00883  1624.447       67.14351  1725.153       71.69839  -0.000000      0.000000  
1 1 1 -10 0  30 o 240.5518 3.566528  580.2709       17.14087  576.2443       24.08173  584.4057       24.40315  -0.000000      0.000000  
1 1 1 -10 0  31 o 102.7457 1.601061  105.7098       3.285354  104.1079       4.574440  107.4163       4.721429  -0.000000      0.000000  
1 1 1 -10 0  32 o 118.3129 1.815879  140.2343       4.292159  139.3621       6.037111  141.1258       6.103494  -0.000000      0.000000  
1 1 1 -10 0  33 o 206.9142 3.080908  429.2837       12.73601  432.7063       18.15432  425.9668       17.87188  -0.000000      0.000000  
1 1 1 -10 0  34 o 70.88116 1.198594  50.20668       1.694136  48.14753       2.315122  52.58044       2.485703  -0.000000      0.000000  
1 1 1 -10 0  35 o 193.8818 2.893306  376.9200       11.20569  372.6362       15.65548  381.4203       16.04624  -0.000000      0.000000  
1 1 1 -10 0  36 f 117.3942 1.814839  138.0726       4.255485  136.3526       5.940634  139.8854       6.098812  -0.000000      0.000000  
1 1 1 -10 0  37 o 208.7446 3.113394  437.3989       12.98509  436.5662       18.31786  438.2401       18.40986  -0.000000      0.000000  
1 1 1 -10 0  38 o 13.69000 1.471014  1.964035       0.3831148 1.938077       0.5396946 1.990403       0.5439427 -0.000000      0.000000  
1 1 1 -10 0  39 f 131.0157 2.005339  172.1395       5.249078  172.6999       7.445171  171.5857       7.401656  -0.000000      0.000000  
1 1 1 -10 0  40 o 149.7383 2.270519  225.0331       6.792693  224.5184       9.591563  225.5511       9.621141  -0.000000      0.000000  
1 1 1 -10 0  41 o 8.913336 2.177058  1.043891       0.3564931 0.8538589      0.5038429 1.234399       0.5044726 -0.000000      0.000000  
1 1 1 -10 0  42 o 107.6925 1.689104  116.3199       3.633687  115.0038       5.092432  117.6850       5.186477  -0.000000      0.000000  
1 1 1 -10 0  43 o 83.49922 1.374189  69.90992       2.291723  70.38873       3.275792  69.45094       3.207265  -0.000000      0.000000  
1 1 1 -10 0  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  45 o 137.0604 2.101295  188.7398       5.753624  189.9073       8.196863  187.6058       8.078142  -0.000000      0.000000  
1 1 1 -10 0  46 o 79.63228 1.334870  63.60435       2.122787  64.06371       3.040870  63.16772       2.964726  -0.000000      0.000000  
1 1 1 -10 0  47 o 4.090691 1.885650  -0.1521173E-01 0.3617979 -0.8177015E-02 0.4931597 -0.2341082E-01 0.5324109 -0.000000      0.000000  
1 1 1 -10 0  48 o 28.57178 1.033226  8.241672       0.5867226 7.953444       0.8339013 8.524231       0.8256620 -0.000000      0.000000  
1 1 1 -10 0  49 o 115.5725 2.574449  134.2933       5.944144  134.2933       5.944144  134.2933       5.944144  -0.000000      0.000000  
1 1 1 -10 0  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  53 o 19.27971 1.407439  3.859424       0.5302867 3.582384       0.7596580 4.122725       0.7405831 -0.000000      0.000000  
1 1 1 -10 0  54 o 24.33768 1.221337  6.034887       0.5875137 5.903928       0.8490449 6.155203       0.8138141 -0.000000      0.000000  
1 1 1 -10 0  55 o 57.59181 1.153998  33.34061       1.326543  33.16586       1.893920  33.50891       1.858608  -0.000000      0.000000  
1 1 1 -10 0  56 o 16.06191 1.728240  2.757366       0.5154658 3.182682       0.7467204 2.370201       0.7124444 -0.000000      0.000000  
1 1 1 -10 0  57 o 60.49389 1.201278  36.80868       1.450391  36.85727       2.078524  36.76257       2.024853  -0.000000      0.000000  
1 1 1 -10 0  58 o 5.436873 2.411161  0.1791918      0.5165042 0.3704478      0.8280578 0.5739121E-01  0.6608118 -0.000000      0.000000  
1 1 1 -10 0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 0  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 1  1  f 172.3027 2.220302  296.3195       7.187299  295.0986       8.762259  298.8300       12.56530  -1.066925      4.440603  
1 1 1 -10 1  2  o 394.5535 5.017795  1556.932       37.26746  1553.231       45.54237  1564.431       64.83698  -1.238464      10.03559  
1 1 1 -10 1  3  o 611.2526 8.985902  3741.172       109.5796  3603.345       148.8075  3904.450       161.9651  -24.40735      17.97180  
1 1 1 -10 1  4  f 549.5346 8.081582  3022.889       88.64402  2919.395       120.8497  3143.424       130.4198  -20.23816      16.16316  
1 1 1 -10 1  5  o 703.2390 10.35155  4913.993       144.0634  4589.281       188.1867  5373.690       223.9113  -55.07495      20.70311  
1 1 1 -10 1  6  o 489.8375 6.418182  2250.015       54.37611  2717.287       113.7048  2111.466       61.91494  61.21875       12.83636  
1 1 1 -10 1  7  o 332.4973 3.461759  1105.417       23.00503  1128.018       33.26962  1084.710       31.84515  6.503235       6.923518  
1 1 1 -10 1  8  o 513.1167 5.331648  2636.955       54.71479  2637.443       77.52379  2636.470       77.23382  0.9179688E-01  10.66330  
1 1 1 -10 1  9  o 337.5533 3.510138  1133.566       23.57733  1078.617       31.50862  1203.481       35.54117  -18.46802      7.020277  
1 1 1 -10 1  10 o 612.6591 6.371699  3755.097       77.96466  3639.652       106.9014  3886.275       113.9535  -20.03925      12.74340  
1 1 1 -10 1  11 o 481.3049 5.003404  2317.421       48.12167  2266.432       66.42265  2373.747       69.81248  -11.11487      10.00681  
1 1 1 -10 1  12 o 357.1319 3.707053  1274.213       26.43950  1238.096       36.23769  1315.325       38.66217  -10.79449      7.414107  
1 1 1 -10 1  13 o 147.8560 2.216188  218.6726       6.553298  218.9947       9.310488  218.3564       9.225620  0.2154388      4.432377  
1 1 1 -10 1  14 f 260.2296 2.709497  676.3127       14.08067  657.3240       19.29179  697.9609       20.59852  -7.800446      5.418994  
1 1 1 -10 1  15 f 311.8618 3.742868  973.2454       23.34128  983.4119       33.37573  963.5132       32.65519  3.184296       7.485737  
1 1 1 -10 1  16 o 96.41484 1.056123  92.69111       2.031643  89.24784       2.760748  96.75858       3.000566  -3.894402      2.112246  
1 1 1 -10 1  17 o 311.9383 3.243454  973.7580       20.23429  979.0128       28.77507  968.6182       28.45879  1.663452       6.486908  
1 1 1 -10 1  18 o 209.0401 2.188362  436.9910       9.146553  443.3244       13.12345  431.0084       12.75479  2.943573       4.376724  
1 1 1 -10 1  19 o 479.5112 4.978585  2301.057       47.69042  2368.214       69.48049  2241.234       65.57749  13.18069       9.957170  
1 1 1 -10 1  20 o 126.1816 1.351146  159.2450       3.409781  159.6793       4.830857  158.8139       4.813508  0.3428040      2.702292  
1 1 1 -10 1  21 o 247.7548 2.585838  611.9230       12.77026  641.8145       19.01021  587.3417       17.23915  10.97548       5.171677  
1 1 1 -10 1  22 o 420.0745 4.363606  1768.802       36.66051  1771.283       51.96386  1766.344       51.72852  0.5833740      8.727212  
1 1 1 -10 1  23 o 226.9086 2.373289  514.7906       10.76146  526.7084       15.60313  503.9783       14.86191  4.999954       4.746578  
1 1 1 -10 1  24 o 182.9971 1.924650  334.9514       7.042050  330.3708       9.817427  339.8061       10.10680  -2.574936      3.849299  
1 1 1 -10 1  25 o 63.17405 0.7612636 39.87214       0.9611480 40.96685       1.391835  38.87421       1.328886  1.655952       1.522527  
1 1 1 -10 1  26 o 205.0364 2.149165  420.6173       8.809949  426.9949       12.66453  414.6371       12.26345  3.007385       4.298330  
1 1 1 -10 1  27 o 301.9383 3.145531  913.6278       18.99368  919.9316       27.06163  907.5074       26.66499  2.047424       6.291062  
1 1 1 -10 1  28 o 55.92281 0.7081802 30.35177       0.7773200 36.17501       1.255855  26.73537       0.9896809 8.438396       1.416360  
1 1 1 -10 1  29 o 147.0249 1.563688  216.2790       4.597984  215.6585       6.486395  216.9057       6.518789  -0.4237213     3.127377  
1 1 1 -10 1  30 o 106.4660 1.166117  112.1849       2.462250  122.4235       3.788838  104.6996       3.239606  8.318108       2.332233  
1 1 1 -10 1  31 o 233.1076 2.438659  544.1946       11.36862  547.6536       16.19097  540.8308       15.96670  1.458405       4.877319  
1 1 1 -10 1  32 o 51.16918 0.6875330 25.59721       0.6944474 29.96941       1.095337  22.65851       0.8979961 7.142479       1.375066  
1 1 1 -10 1  33 o 45.28886 0.6567172 20.50742       0.5947248 20.21297       0.8311517 20.81635       0.8513477 -0.6660004     1.313434  
1 1 1 -10 1  34 o 156.7796 1.664976  245.5650       5.212442  238.2995       7.135291  253.8792       7.632851  -4.958832      3.329952  
1 1 1 -10 1  35 f 56.92419 0.7390100 32.30539       0.8397282 34.09843       1.235415  30.76558       1.144859  2.926514       1.478020  
1 1 1 -10 1  36 o 43.68430 0.6660551 19.06481       0.5815713 19.76317       0.8402516 18.42260       0.8057641 1.534023       1.332110  
1 1 1 -10 1  37 o 101.1790 1.122627  101.2982       2.252081  110.8779       3.471041  94.33360       2.959597  8.165283       2.245255  
1 1 1 -10 1  38 o 124.0734 1.344085  154.1003       3.334999  155.3011       4.755090  152.9377       4.678640  0.9501572      2.688170  
1 1 1 -10 1  39 o 45.03964 0.6733241 19.96981       0.6014093 22.96134       0.9261216 17.78835       0.7908494 5.740349       1.346648  
1 1 1 -10 1  40 o 84.45275 0.9702713 71.20158       1.635896  68.52921       2.233592  74.29380       2.402660  -3.407745      1.940543  
1 1 1 -10 1  41 f 89.97324 1.021509  81.00043       1.837589  82.30461       2.639101  79.77307       2.560183  1.404060       2.043017  
1 1 1 -10 1  42 o 103.0762 1.146573  106.0912       2.358232  101.9755       3.206150  110.9424       3.480848  -4.336533      2.293146  
1 1 1 -10 1  43 f 68.18472 0.8366833 46.51908       1.140749  47.23129       1.633497  45.84110       1.593761  1.017906       1.673367  
1 1 1 -10 1  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 1  45 o 55.38855 0.7582105 30.70485       0.8396299 30.74880       1.203848  30.66323       1.171639  0.7592392E-01  1.516421  
1 1 1 -10 1  46 o 103.7542 1.515832  106.8310       3.042579  112.8725       5.043274  103.3739       3.815058  4.466270       3.031664  
1 1 1 -10 1  47 o 55.76432 1.076488  31.15857       1.200034  31.46628       1.727139  30.87137       1.668585  0.5289917      2.152976  
1 1 1 -10 1  48 o 56.55100 1.092362  31.88860       1.232087  29.64484       1.669896  34.56951       1.825331  -4.341648      2.184724  
1 1 1 -10 1  49 o 50.38564 0.8950827 25.57432       0.8606328 25.90850       1.071475  24.96670       1.444794  0.9623413      1.790165  
1 1 1 -10 1  50 o 71.45283 0.8865570 51.16341       1.266937  51.20252       1.794092  51.12449       1.789356  0.5419922E-01  1.773114  
1 1 1 -10 1  51 o 45.32168 0.7302243 20.44265       0.6597778 18.82337       0.8918125 22.40052       0.9806322 -3.939590      1.460449  
1 1 1 -10 1  52 o 66.54375 0.8620433 44.36306       1.146902  45.30682       1.647768  43.47619       1.597337  1.370560       1.724087  
1 1 1 -10 1  53 o 30.29819 1.014732  9.110343       0.6070031 8.610922       0.7885727 9.836536       0.9508988 -2.001879      2.029464  
1 1 1 -10 1  54 o 65.11449 1.212355  42.64153       1.578654  43.34708       2.231037  41.93404       2.234074  1.085541       2.424711  
1 1 1 -10 1  55 o 29.64017 1.107809  8.726866       0.6526545 7.604235       0.8735378 10.14537       0.9819264 -4.269428      2.215619  
1 1 1 -10 1  56 o 25.87708 1.048418  6.841089       0.5102574 6.384007       0.8715601 7.079459       0.6293984 -1.381109      2.096836  
1 1 1 -10 1  57 o 57.14635 0.8288363 32.66794       0.9457253 34.52158       1.387078  31.05770       1.292807  3.017200       1.657673  
1 1 1 -10 1  58 o 30.18356 1.020905  9.208457       0.6049821 9.438429       0.7895492 8.881434       0.9415221 0.9499264      2.041810  
1 1 1 -10 1  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 1  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 2  1  f 657.6828 6.827767  4334.873       89.77454  4390.980       129.1053  4282.345       124.9189  8.203613       13.65553  
1 1 1 -10 2  2  o 595.7275 6.189352  3519.852       73.07015  3817.176       112.7716  3304.693       95.93231  42.81299       12.37870  
1 1 1 -10 2  3  o 555.3212 5.776264  3086.607       64.11378  3165.057       92.68102  3014.614       88.78554  13.50262       11.55253  
1 1 1 -10 2  4  o 276.4026 2.876093  762.8729       15.87327  788.5558       23.25575  740.4716       21.71933  8.689789       5.752185  
1 1 1 -10 2  5  o 182.9777 2.350418  335.5445       8.134650  336.8772       10.00447  332.9445       13.97413  1.092178       4.700836  
1 1 1 -10 2  6  o 234.3532 3.458198  549.4997       16.20710  554.1830       23.12202  544.9763       22.72377  1.961670       6.916397  
1 1 1 -10 2  7  o 480.0484 7.054532  2308.234       67.67196  2367.762       98.18624  2254.370       93.39837  11.74533       14.10906  
1 1 1 -10 2  8  o 215.1976 3.186758  462.1953       13.68703  480.5636       20.15239  446.4673       18.64782  7.912781       6.373516  
1 1 1 -10 2  9  o 117.0396 1.572611  130.2773       3.247449  151.3542       6.534384  123.3640       3.742323  11.94909       3.145223  
1 1 1 -10 2  10 o 141.8132 1.844866  200.4093       4.903934  203.2603       8.623895  199.0468       5.961627  1.476044       3.689731  
1 1 1 -10 2  11 o 458.8187 4.759273  2107.252       43.66264  2132.600       62.56220  2083.182       60.96534  5.370361       9.518545  
1 1 1 -10 2  12 o 264.7603 3.898191  698.6143       20.56602  734.8043       30.69513  669.1340       27.70384  12.37845       7.796382  
1 1 1 -10 2  13 o 460.7917 4.779164  2125.518       44.03261  2150.749       63.12906  2101.613       61.44798  5.315216       9.558328  
1 1 1 -10 2  14 f 347.2555 3.607951  1206.509       25.05181  1193.296       34.98316  1220.417       35.89151  -3.898132      7.215903  
1 1 1 -10 2  15 o 321.9959 4.750879  1037.868       30.58019  1024.430       42.47608  1052.328       44.06131  -4.314789      9.501758  
1 1 1 -10 2  16 o 273.1736 2.842883  746.4071       15.52757  756.7067       22.28081  736.6813       21.65133  3.660889       5.685766  
1 1 1 -10 2  17 o 345.5413 3.591371  1194.415       24.80576  1174.211       34.40892  1216.276       35.79330  -6.073608      7.182742  
1 1 1 -10 2  18 f 383.9453 3.985960  1475.911       30.60501  1465.931       42.93863  1486.217       43.63377  -2.633698      7.971920  
1 1 1 -10 2  19 o 391.6892 4.068234  1535.577       31.85369  1509.432       44.21753  1563.784       45.92694  -6.916016      8.136468  
1 1 1 -10 2  20 o 454.9834 4.733103  2073.994       43.05058  2050.541       59.86100  2099.120       61.95861  -5.303253      9.466207  
1 1 1 -10 2  21 o 97.61763 1.072626  95.28916       2.093906  96.27541       2.988729  94.33842       2.934478  0.9918976      2.145252  
1 1 1 -10 2  22 f 243.5804 2.541709  592.8058       12.36419  611.4614       18.07784  576.4093       16.94800  7.182144       5.083417  
1 1 1 -10 2  23 o 142.6668 1.516038  203.5992       4.325664  202.7850       6.092271  204.4271       6.142868  -0.5751343     3.032076  
1 1 1 -10 2  24 o 206.1051 2.159574  424.7462       8.895594  434.1924       12.87588  416.1201       12.30413  4.377289       4.319148  
1 1 1 -10 2  25 o 95.21458 1.051241  90.44171       1.997863  94.23151       2.939827  87.18943       2.723381  3.696564       2.102482  
1 1 1 -10 2  26 o 210.6994 2.207116  444.2024       9.297334  451.0650       13.36719  437.7714       12.94004  3.147690       4.414231  
1 1 1 -10 2  27 o 286.4788 2.985779  822.1819       17.10393  813.3687       23.90815  831.4213       24.47917  -3.137024      5.971559  
1 1 1 -10 2  28 o 164.4045 1.738724  270.4678       5.717010  270.8006       8.107783  270.1388       8.062553  0.2006836      3.477449  
1 1 1 -10 2  29 f 151.4297 1.609076  229.4284       4.873001  227.8779       6.850175  231.0169       6.933508  -1.035370      3.218153  
1 1 1 -10 2  30 o 199.3707 2.094209  397.9189       8.350406  397.0456       11.77965  398.8010       11.83909  -0.4391174     4.188419  
1 1 1 -10 2  31 o 176.5062 1.862214  311.7340       6.572105  315.7775       9.424949  307.9071       9.169052  2.225021       3.724428  
1 1 1 -10 2  32 o 171.7427 1.814344  295.0581       6.228824  300.5482       8.982490  289.9727       8.644977  3.072617       3.628687  
1 1 1 -10 2  33 o 30.85291 0.6305507 9.391834       0.3864209 10.93526       0.5858374 8.203153       0.5141223 4.427141       1.261101  
1 1 1 -10 2  34 o 140.4758 1.502565  197.3970       4.219894  200.6042       6.068518  194.3943       5.871996  2.206741       3.005129  
1 1 1 -10 2  35 o 178.6280 1.886924  319.5379       6.741146  319.6098       9.536941  319.4660       9.529902  0.4005432E-01  3.773848  
1 1 1 -10 2  36 o 82.26492 0.9467871 67.52511       1.554816  64.96475       2.121282  70.49746       2.285584  -3.360229      1.893574  
1 1 1 -10 2  37 f 16.68516 0.8194584 2.785459       0.2732793 2.769830       0.3930148 2.800090       0.3802517 -0.9087753E-01 1.638917  
1 1 1 -10 2  38 o 65.98709 0.8105194 43.47793       1.068313  41.98758       1.466344  45.16390       1.559612  -2.405060      1.621039  
1 1 1 -10 2  39 o 44.65956 0.6735606 19.92981       0.6012532 20.58318       0.8689833 19.32977       0.8327730 1.402649       1.347121  
1 1 1 -10 2  40 o 117.6062 1.283981  138.4961       3.019698  137.1909       4.229918  139.8527       4.312267  -1.128273      2.567963  
1 1 1 -10 2  41 o 15.22753 0.9066285 2.321797       0.2753253 2.554362       0.3932246 2.098135       0.3856241 1.497793       1.813257  
1 1 1 -10 2  42 o 100.2470 1.381341  99.50851       2.567204  103.9580       4.640537  97.54622       3.081729  3.107727       2.762682  
1 1 1 -10 2  43 o 95.88506 1.530945  92.17683       2.935026  90.51643       4.090351  93.93908       4.213914  -1.776054      3.061890  
1 1 1 -10 2  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 2  45 o 72.48448 1.239904  52.66567       1.797392  52.55714       2.552771  52.77238       2.531159  -0.1499329     2.479808  
1 1 1 -10 2  46 o 98.03960 1.353082  96.60167       2.510737  96.98324       3.090408  95.86084       4.306138  0.6714401      2.706164  
1 1 1 -10 2  47 f 21.77360 0.7945919 4.707077       0.3399405 6.065277       0.5059722 3.589564       0.4589561 5.682537       1.589184  
1 1 1 -10 2  48 o 52.29836 0.7480087 27.26898       0.7806236 25.66609       1.061467  29.15703       1.152021  -3.332436      1.496017  
1 1 1 -10 2  49 o 42.54597 0.7088922 18.12337       0.6032071 18.14267       0.8545730 18.10420       0.8515625 0.4502869E-01  1.417784  
1 1 1 -10 2  50 o 31.39511 0.7188781 9.871446       0.4513137 9.810479       0.6428319 9.930706       0.6337724 -0.1921043     1.437756  
1 1 1 -10 2  51 o 8.783908 1.582961  0.7869866      0.2974942 0.3838911      0.4128461 1.222372       0.4290630 -4.125304      3.165923  
1 1 1 -10 2  52 o 9.857329 1.520684  0.9895754      0.3028921 0.5825829      0.4128106 1.464209       0.4457968 -4.419381      3.041367  
1 1 1 -10 2  53 o 43.61696 0.7467858 19.06289       0.6514347 18.96553       0.9228283 19.15960       0.9197152 -0.2227669     1.493572  
1 1 1 -10 2  54 o 24.76423 0.8238243 6.122924       0.4063337 6.965281       0.5941528 5.382789       0.5569363 3.190968       1.647649  
1 1 1 -10 2  55 o 17.24444 1.067085  2.993808       0.3669896 3.240850       0.5177988 2.744456       0.5202128 1.439659       2.134169  
1 1 1 -10 2  56 o 19.93148 1.175767  3.714644       0.4510866 2.970070       0.5542885 5.174842       0.7762253 -5.491083      2.351535  
1 1 1 -10 2  57 o 49.19684 1.121092  24.35327       1.102391  24.36284       1.532340  24.34299       1.587136  0.3085709E-01  2.242184  
1 1 1 -10 2  58 o 26.24293 1.710338  6.937400       0.8976858 6.937400       0.8976858 ?              ?         ?              ?         
1 1 1 -10 2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 2  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 3  1  o 287.9906 2.996215  829.6061       17.25423  838.9476       24.69656  820.6984       24.11611  3.164948       5.992430  
1 1 1 -10 3  2  o 356.1949 3.699700  1266.641       26.30150  1315.073       38.71697  1225.136       35.84114  12.60382       7.399399  
1 1 1 -10 3  3  o 175.4960 1.847626  305.9455       6.447497  326.8453       9.767009  289.8039       8.583488  10.54907       3.695251  
1 1 1 -10 3  4  o 476.8304 4.964420  2238.086       46.66701  2063.749       60.21699  2500.241       73.84198  -45.63879      9.928840  
1 1 1 -10 3  5  o 325.9938 3.384095  1063.048       22.05776  1077.054       31.64275  1049.809       30.76455  4.172974       6.768191  
1 1 1 -10 3  6  o 263.0426 2.742773  691.9836       14.42528  700.8840       20.69422  683.5713       20.11881  3.287781       5.485547  
1 1 1 -10 3  7  o 123.1912 1.315735  151.2800       3.233096  145.4164       4.384201  158.2703       4.786866  -5.216019      2.631470  
1 1 1 -10 3  8  o 370.1494 3.843914  1371.035       28.45312  1383.281       40.61329  1359.230       39.87445  3.243103       7.687827  
1 1 1 -10 3  9  o 367.1995 4.636256  1361.470       32.62320  1391.531       40.91804  1309.026       54.04707  11.35266       9.272512  
1 1 1 -10 3  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 3  11 o 219.7224 3.247637  483.0615       14.27140  484.2892       20.24127  481.8479       20.12486  0.5547943      6.495275  
1 1 1 -10 3  12 o 470.0761 6.908406  2210.754       64.81338  2290.440       95.40005  2142.445       88.32785  15.64160       13.81681  
1 1 1 -10 3  13 o 256.4825 3.280537  656.5155       15.80016  663.3152       27.65961  653.2220       19.25004  1.909805       6.561075  
1 1 1 -10 3  14 o 224.1918 2.518731  504.0366       11.26600  477.0216       16.20607  529.3015       15.67239  -11.66264      5.037462  
1 1 1 -10 3  15 o 270.4960 2.815380  731.6868       15.22395  720.0290       21.14950  744.2227       21.93163  -4.466797      5.630760  
1 1 1 -10 3  16 o 307.2110 3.193696  944.4420       19.62188  939.6346       27.59331  949.3599       27.90843  -1.580231      6.387391  
1 1 1 -10 3  17 o 359.1758 3.729157  1287.804       26.72238  1242.338       36.29975  1341.594       39.48291  -13.78421      7.458315  
1 1 1 -10 3  18 o 291.8631 3.035333  851.4023       17.69815  830.4892       24.34917  874.8258       25.76909  -7.582397      6.070666  
1 1 1 -10 3  19 o 253.5446 2.643218  643.1300       13.40085  650.1436       19.17946  636.4401       18.73179  2.698425       5.286436  
1 1 1 -10 3  20 o 221.0124 2.309386  488.4314       10.20256  479.8661       14.15310  497.6977       14.72083  -4.029144      4.618773  
1 1 1 -10 3  21 o 242.4716 2.530859  587.1266       12.25094  568.9410       16.73311  608.1364       17.98549  -8.069061      5.061718  
1 1 1 -10 3  22 o 223.7802 2.339039  501.0559       10.46713  496.2160       14.65515  506.0959       14.95492  -2.204178      4.678079  
1 1 1 -10 3  23 o 177.9726 1.874141  315.6370       6.647651  331.4790       9.907603  302.6652       8.965267  8.085724       3.748281  
1 1 1 -10 3  24 o 258.2274 2.694128  667.4958       13.91184  674.2062       19.88303  661.0601       19.47203  2.538940       5.388257  
1 1 1 -10 3  25 o 27.92910 0.5703518 7.660146       0.3151736 6.328221       0.4173762 9.427329       0.4807598 -5.547930      1.140704  
1 1 1 -10 3  26 o 111.3700 1.209484  123.6750       2.686913  129.3138       3.976890  118.9392       3.644562  4.654655       2.418969  
1 1 1 -10 3  27 o 144.2917 1.534998  208.3013       4.429563  207.1218       6.229954  209.5071       6.299317  -0.8257141     3.069996  
1 1 1 -10 3  28 f 214.6377 2.248754  460.3274       9.637713  446.7181       13.18818  475.9254       14.11894  -6.787613      4.497508  
1 1 1 -10 3  29 o 198.7415 2.087446  395.3194       8.296085  391.6905       11.61663  399.0967       11.85178  -1.859207      4.174893  
1 1 1 -10 3  30 o 73.24282 0.8603256 52.90290       1.247335  58.81185       1.939511  48.73518       1.628870  6.876541       1.720651  
1 1 1 -10 3  31 f 156.3787 1.659346  244.7035       5.189348  243.0623       7.286168  246.3930       7.392684  -1.063248      3.318692  
1 1 1 -10 3  32 o 134.3839 1.444579  180.6640       3.881660  182.3715       5.559934  179.0404       5.421668  1.237274       2.889158  
1 1 1 -10 3  33 o 130.2668 1.401017  169.7748       3.649663  171.3322       5.211014  168.2754       5.113183  1.171738       2.802033  
1 1 1 -10 3  34 o 151.6220 1.614008  229.5666       4.884785  238.2950       7.182682  222.0559       6.662830  5.344635       3.228015  
1 1 1 -10 3  35 o 44.70226 0.6614622 19.58193       0.5851085 17.15953       0.7634966 23.02914       0.9107897 -6.563770      1.322924  
1 1 1 -10 3  36 o 62.37671 0.7793484 38.89915       0.9719679 38.10775       1.354277  39.73983       1.395804  -1.307713      1.558697  
1 1 1 -10 3  37 o 30.46293 0.6522495 9.110335       0.3932354 11.15872       0.6011357 7.578146       0.5199043 5.875885       1.304499  
1 1 1 -10 3  38 o 115.1681 1.360617  132.9190       3.105089  131.8944       4.713305  133.7046       4.127324  -0.8043365     2.721234  
1 1 1 -10 3  39 o 43.09135 0.8616661 18.64141       0.7365098 15.73254       1.031847  21.66269       1.051598  -6.880447      1.723332  
1 1 1 -10 3  40 o 81.16136 1.328355  65.85118       2.152883  68.18256       3.152026  63.81252       2.947525  2.683289       2.656711  
1 1 1 -10 3  41 o 48.77141 0.9738827 23.67731       0.9470643 22.12318       1.279988  25.55738       1.407822  -3.516270      1.947765  
1 1 1 -10 3  42 o 65.69586 1.004092  41.62524       1.206220  39.47491       1.422712  47.12238       2.274745  -5.783344      2.008183  
1 1 1 -10 3  43 o 158.3450 1.693753  251.3115       5.357486  258.8655       7.810160  244.5980       7.362866  4.469849       3.387506  
1 1 1 -10 3  44 o 100.1058 2.264086  100.5276       4.519585  95.58538       6.112368  106.4889       6.713104  -5.375671      4.528171  
1 1 1 -10 3  45 o 105.2833 1.175796  111.0803       2.475765  110.4973       3.485515  111.6739       3.517219  -0.5567322     2.351591  
1 1 1 -10 3  46 o 108.1765 1.203399  117.1746       2.601078  114.1107       3.584548  120.5821       3.780207  -2.976234      2.406797  
1 1 1 -10 3  47 o 87.85776 1.015858  77.34147       1.784885  77.84467       2.542914  76.85279       2.505909  0.5618439      2.031716  
1 1 1 -10 3  48 o 106.9000 1.196048  114.6181       2.556897  113.5352       3.585429  115.7386       3.647363  -1.024864      2.392096  
1 1 1 -10 3  49 o 69.45824 0.8671139 48.17894       1.202240  45.93509       1.639082  50.79189       1.768762  -3.486511      1.734228  
1 1 1 -10 3  50 o 26.17769 0.7688334 6.752074       0.3978917 8.394306       0.6032631 5.487562       0.5293598 5.546331       1.537667  
1 1 1 -10 3  51 f 100.9206 1.147478  102.2088       2.315284  103.8096       3.327183  100.7059       3.223872  1.525078       2.294956  
1 1 1 -10 3  52 o 60.45958 0.8145362 36.59995       0.9844107 37.67123       1.420677  35.61055       1.365307  1.698929       1.629072  
1 1 1 -10 3  53 o 50.19313 0.7681023 25.23841       0.7709126 25.70693       1.103903  24.79239       1.077063  0.9083633      1.536205  
1 1 1 -10 3  54 o 7.310529 1.720461  0.4669012      0.3099638 0.1951001      0.4281925 0.7661287      0.4492771 -2.588528      3.440923  
1 1 1 -10 3  55 o 46.50445 0.7712569 21.44436       0.7133798 19.30679       0.9513774 24.18998       1.078231  -5.235989      1.542514  
1 1 1 -10 3  56 o 50.86341 0.7850418 25.93994       0.7985859 25.78142       1.125723  26.10054       1.133055  -0.3128128     1.570084  
1 1 1 -10 3  57 o 39.69279 0.7782093 15.74288       0.6165467 14.53381       0.8443236 17.12411       0.9024314 -3.255020      1.556419  
1 1 1 -10 3  58 o 19.45154 1.847104  3.365178       0.5497342 3.129638       0.5980231 4.649494       1.396439  -3.649035      3.694209  
1 1 1 -10 3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 4  1  f 677.2245 7.043478  4580.183       95.03284  4397.651       127.9167  4805.037       141.9733  -29.88147      14.08696  
1 1 1 -10 4  2  o 407.1893 4.225505  1659.562       34.40969  1648.728       48.35486  1670.675       48.97639  -2.689758      8.451011  
1 1 1 -10 4  3  o 153.6327 1.620908  236.0463       4.980169  234.5408       6.995544  237.5934       7.091481  -0.9931488     3.241816  
1 1 1 -10 4  4  o 306.3455 3.184227  938.9448       19.50842  944.5286       27.76184  933.4978       27.41950  1.798248       6.368453  
1 1 1 -10 4  5  o 156.9763 1.655686  246.4472       5.197937  245.6479       7.320453  247.2599       7.381920  -0.5132446     3.311372  
1 1 1 -10 4  6  f 494.4286 5.154016  2447.087       50.94830  2407.387       70.93340  2489.392       73.22477  -8.269592      10.30803  
1 1 1 -10 4  7  o 183.9535 2.231097  336.8770       8.175220  355.6265       12.23716  321.7638       10.98668  9.198608       4.462194  
1 1 1 -10 4  8  o 159.3603 2.379157  252.3144       7.540174  269.6865       11.41263  238.8571       10.04471  9.666367       4.758314  
1 1 1 -10 4  9  o 510.1477 5.296022  2606.437       54.03138  2590.841       75.88554  2622.474       76.94937  -3.089142      10.59204  
1 1 1 -10 4  10 o 247.1643 2.581425  610.5282       12.75065  596.7494       17.61572  625.6915       18.47958  -5.850327      5.162850  
1 1 1 -10 4  11 o 331.3615 3.446223  1098.639       22.83665  1107.429       32.57146  1090.140       32.02721  2.604828       6.892446  
1 1 1 -10 4  12 o 277.3372 3.538104  769.2593       18.48146  768.3052       22.60337  771.1837       32.10107  -0.4478455     7.076208  
1 1 1 -10 4  13 o 416.7259 5.375718  1695.786       40.68214  1638.070       47.92207  1844.691       76.97420  -24.44336      10.75144  
1 1 1 -10 4  14 o 623.3871 9.182750  3904.310       114.3737  3995.423       166.2028  3822.348       157.6349  13.69269       18.36550  
1 1 1 -10 4  15 o 411.9452 6.053804  1691.558       49.62185  1796.140       74.82504  1609.455       66.29795  22.52625       12.10761  
1 1 1 -10 4  16 f 309.3060 4.551038  958.1498       28.15097  951.2731       39.50994  965.2407       40.12003  -2.250244      9.102077  
1 1 1 -10 4  17 o 494.3137 6.328064  2429.651       58.13337  2511.175       104.3327  2392.944       70.00784  11.32422       12.65613  
1 1 1 -10 4  18 o 171.4598 1.808763  292.8696       6.182063  280.2149       8.344533  308.2654       9.204040  -8.174866      3.617525  
1 1 1 -10 4  19 o 195.3777 2.048542  381.8737       8.004526  380.2593       11.26609  383.5194       11.37491  -0.8335266     4.097084  
1 1 1 -10 4  20 o 508.7282 5.288355  2590.697       53.70228  2511.648       73.27888  2682.405       78.92841  -16.66193      10.57671  
1 1 1 -10 4  21 o 252.4106 2.632938  637.5895       13.29003  643.0626       18.97185  632.3158       18.62288  2.124649       5.265877  
1 1 1 -10 4  22 o 44.35997 0.6184939 19.66898       0.5485085 20.02207       0.7892838 19.33917       0.7628099 0.7696342      1.236988  
1 1 1 -10 4  23 o 196.0003 2.056334  384.2508       8.057865  378.6790       11.21479  390.1970       11.58533  -2.934021      4.112668  
1 1 1 -10 4  24 f 114.6103 1.242623  129.6288       2.818262  143.2193       4.386228  120.0731       3.677924  10.09227       2.485246  
1 1 1 -10 4  25 o 535.0895 5.572589  2879.546       59.60520  2830.977       82.70684  2932.032       85.97720  -9.311890      11.14518  
1 1 1 -10 4  26 o 220.1438 2.304877  484.0965       10.12850  468.3242       13.81887  502.4052       14.88860  -7.720932      4.609755  
1 1 1 -10 4  27 o 147.9430 1.573976  218.2750       4.644824  209.7461       6.299031  228.4392       6.876428  -6.310440      3.147952  
1 1 1 -10 4  28 o 119.8706 1.295953  143.5357       3.103268  147.8202       4.522599  139.7235       4.266001  3.374634       2.591906  
1 1 1 -10 4  29 o 93.44525 1.040072  86.70783       1.933255  81.61832       2.576753  93.26219       2.924151  -6.227188      2.080144  
1 1 1 -10 4  30 o 87.76781 0.9886200 76.95631       1.733717  79.12563       2.519299  75.00470       2.389535  2.346451       1.977240  
1 1 1 -10 4  31 o 124.8623 1.348155  155.6465       3.360459  161.3023       4.935147  150.7571       4.588570  4.218094       2.696309  
1 1 1 -10 4  32 o 286.5186 2.990609  823.1646       17.13730  823.0196       24.23330  823.3097       24.23829  -0.5044556E-01 5.981218  
1 1 1 -10 4  33 o 200.6098 2.110648  402.6176       8.460731  412.2933       12.27979  393.8733       11.67376  4.576187       4.221296  
1 1 1 -10 4  34 o 82.81443 0.9504918 68.34324       1.569847  65.31931       2.125556  71.97216       2.328494  -4.014175      1.900984  
1 1 1 -10 4  35 o 52.87949 0.8710133 27.34860       0.8501115 29.57928       1.561690  26.40926       1.013418  2.990067       1.742027  
1 1 1 -10 4  36 o 63.68909 1.114837  40.17346       1.410516  44.11617       2.152396  37.20580       1.867373  5.419643       2.229674  
1 1 1 -10 4  37 o 183.7920 2.750216  339.2239       10.10702  335.0369       14.11220  343.6331       14.48194  -2.317093      5.500433  
1 1 1 -10 4  38 o 42.97900 0.9379583 18.30657       0.8023780 16.38367       1.076624  20.70897       1.203398  -5.028999      1.875917  
1 1 1 -10 4  39 o 118.9260 1.578216  142.7471       3.584676  145.2598       4.472670  138.2344       5.993986  3.023155       3.156433  
1 1 1 -10 4  40 o 19.03403 0.7632864 3.621157       0.2902628 3.863799       0.4172890 3.393701       0.4040196 1.234549       1.526573  
1 1 1 -10 4  41 o 74.42811 0.8849011 55.35378       1.315741  57.22339       1.916936  53.68839       1.809210  2.371170       1.769802  
1 1 1 -10 4  42 o 110.4614 1.218908  121.8281       2.685571  116.9060       3.640335  127.7058       3.978035  -4.870117      2.437817  
1 1 1 -10 4  43 o 61.67800 0.7888262 38.06808       0.9729617 38.44697       1.388289  37.70235       1.363984  0.6027184      1.577652  
1 1 1 -10 4  44 o 45.66859 0.9966792 20.88273       0.9102043 20.64000       1.273963  21.13583       1.300906  -0.5414314     1.993358  
1 1 1 -10 4  45 o 44.15199 0.6939059 19.16982       0.6072437 16.89722       0.7973427 22.30830       0.9370093 -6.122318      1.387812  
1 1 1 -10 4  46 o 46.01538 0.6999482 21.19305       0.6441507 21.26031       0.9148502 21.12691       0.9071322 0.1446075      1.399896  
1 1 1 -10 4  47 o 45.89163 0.7083955 20.75165       0.6449296 18.40681       0.8497558 23.93733       0.9904643 -6.018642      1.416791  
1 1 1 -10 4  48 o 60.81210 0.7998892 37.03466       0.9728471 37.06607       1.379484  37.00359       1.372172  0.5090332E-01  1.599778  
1 1 1 -10 4  49 o 67.91600 0.8559261 46.18004       1.162078  47.16299       1.674856  45.26756       1.613701  1.390785       1.711852  
1 1 1 -10 4  50 o 49.92879 0.7436914 24.83884       0.7404562 26.69741       1.099794  23.29786       1.001430  3.396915       1.487383  
1 1 1 -10 4  51 o 57.47884 0.7951790 33.04313       0.9131057 34.32602       1.330211  31.90000       1.255664  2.103966       1.590358  
1 1 1 -10 4  52 o 54.95889 0.7851220 30.25941       0.8628386 30.68474       1.234375  29.85303       1.206576  0.7540779      1.570244  
1 1 1 -10 4  53 o 8.288017 1.603099  0.6448351      0.3174697 0.7768275E-01  0.4448248 1.233631       0.4532330 -5.172688      3.206198  
1 1 1 -10 4  54 o 53.81573 0.7888861 28.85468       0.8462015 31.22410       1.261841  26.91828       1.140723  3.987419       1.577772  
1 1 1 -10 4  55 o 33.96630 0.7671008 11.55886       0.5209633 11.29035       0.7263734 11.84328       0.7475911 -0.8115540     1.534202  
1 1 1 -10 4  56 o 35.17086 0.7641373 12.38106       0.5369806 13.14690       0.7766879 11.67978       0.7432273 2.081612       1.528275  
1 1 1 -10 4  57 f 33.30168 0.8031811 11.13683       0.5337342 12.06439       0.7579980 10.22469       0.7516700 2.761292       1.606362  
1 1 1 -10 4  58 f 55.35120 1.312454  30.77199       1.452918  30.77199       1.452918  ?              ?         ?              ?         
1 1 1 -10 4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 5  1  o 627.8245 7.559427  3947.889       94.76955  3843.042       129.7671  4067.720       138.7302  -17.75574      15.11885  
1 1 1 -10 5  2  o 49.90287 0.8031290 24.91519       0.7850672 24.84771       1.241900  24.96011       1.013191  -0.1129951     1.606258  
1 1 1 -10 5  3  o 639.4243 7.706359  4071.407       97.97494  4380.048       148.5773  3833.939       130.3250  42.42065       15.41272  
1 1 1 -10 5  4  o 502.9600 5.225307  2532.462       52.54286  2494.148       73.11937  2573.369       75.55407  -7.850037      10.45061  
1 1 1 -10 5  5  o 433.3434 4.501759  1875.061       38.92419  1812.302       52.92702  1948.992       57.44429  -15.73077      9.003517  
1 1 1 -10 5  6  o 509.6838 5.311430  2601.314       54.13622  2644.204       77.29943  2560.028       75.84172  8.242096       10.62286  
1 1 1 -10 5  7  o 414.6733 4.316566  1717.568       35.71883  1668.187       48.63433  1775.398       52.63005  -12.89224      8.633132  
1 1 1 -10 5  8  o 217.9329 2.278931  474.9090       9.929633  481.6041       14.26802  468.6208       13.82758  2.976654       4.557863  
1 1 1 -10 5  9  f 452.3247 4.699234  2048.265       42.50231  2031.836       59.39372  2065.509       60.84734  -3.708099      9.398469  
1 1 1 -10 5  10 o 602.2490 6.269647  3632.619       75.46890  3555.728       104.4842  3716.493       109.1253  -13.28479      12.53929  
1 1 1 -10 5  11 f 277.6421 2.888683  770.7408       16.03086  785.4049       23.15172  757.2344       22.21914  5.067169       5.777365  
1 1 1 -10 5  12 f 243.8364 2.544304  593.8872       12.39084  578.1974       17.00005  611.6691       18.09802  -6.857025      5.088608  
1 1 1 -10 5  13 o 149.6999 1.585242  224.1392       4.746192  224.3260       6.722642  223.9535       6.701666  0.1243591      3.170484  
1 1 1 -10 5  14 f 508.0130 5.299249  2584.733       53.82304  2535.270       74.91951  2637.491       77.37438  -10.02692      10.59850  
1 1 1 -10 5  15 o 514.1410 5.346805  2645.061       54.89344  2721.969       80.34090  2577.719       75.17812  13.95151       10.69361  
1 1 1 -10 5  16 o 66.98918 1.019220  42.03307       1.185014  39.43428       1.351465  50.67685       2.464736  -8.387997      2.038441  
1 1 1 -10 5  17 o 516.0207 6.656814  2609.981       62.49869  2524.923       73.74956  2826.722       117.7259  -28.30893      13.31363  
1 1 1 -10 5  18 o 388.4360 5.713393  1511.856       44.33575  1475.347       60.99735  1552.746       64.55416  -9.890289      11.42679  
1 1 1 -10 5  19 o 73.82503 1.216907  54.06227       1.785144  50.82450       2.367911  58.32540       2.717110  -5.078499      2.433814  
1 1 1 -10 5  20 f 144.3153 2.170222  208.1195       6.257140  202.8854       8.611738  213.9727       9.106872  -3.836578      4.340445  
1 1 1 -10 5  21 o 196.7950 2.551142  381.9416       9.253981  402.2335       16.93794  373.3073       11.04874  7.276581       5.102283  
1 1 1 -10 5  22 o 154.8267 2.020279  237.9840       5.828020  245.0098       10.40341  234.7707       7.035652  3.270493       4.040558  
1 1 1 -10 5  23 o 304.2052 3.167756  924.4008       19.22692  962.7415       28.38862  891.9104       26.13314  11.59903       6.335511  
1 1 1 -10 5  24 o 225.2984 2.355988  507.5875       10.60618  496.0918       14.62769  520.3307       15.40099  -5.366821      4.711977  
1 1 1 -10 5  25 o 150.6297 1.598690  226.0404       4.798787  238.0666       7.160702  216.2361       6.465448  7.237793       3.197380  
1 1 1 -10 5  26 o 159.5697 1.691999  254.4289       5.393631  247.6853       7.416982  261.9974       7.857563  -4.478577      3.383999  
1 1 1 -10 5  27 o 31.90643 0.5820388 10.08973       0.3696716 8.959261       0.4977150 11.48071       0.5520925 -3.951078      1.164078  
1 1 1 -10 5  28 o 121.9907 1.316088  148.5190       3.204834  143.4480       4.372115  154.4078       4.711532  -4.488396      2.632176  
1 1 1 -10 5  29 o 113.7925 1.235907  129.5370       2.812733  129.3168       3.973005  129.7582       3.982622  -0.1938553     2.471813  
1 1 1 -10 5  30 o 168.4015 1.783198  282.1664       5.976892  267.9713       7.995212  300.1485       8.998693  -9.536819      3.566396  
1 1 1 -10 5  31 o 200.4745 2.273808  403.3906       9.058793  394.2602       13.51472  410.8394       12.20699  -4.165665      4.547616  
1 1 1 -10 5  32 o 34.29782 0.7915162 12.22913       0.5220885 9.256144       0.7860696 14.57577       0.6983749 -7.755802      1.583032  
1 1 1 -10 5  33 o 123.6301 1.889069  152.8677       4.667021  149.2546       6.443409  156.8550       6.768945  -3.066383      3.778138  
1 1 1 -10 5  34 o 64.31342 1.114555  41.38123       1.433477  41.49678       2.042829  41.26913       2.012007  0.1764908      2.229110  
1 1 1 -10 5  35 o 41.94445 0.8114816 16.25801       0.6196615 14.59690       0.7224573 20.88118       1.205267  -7.484890      1.622963  
1 1 1 -10 5  36 o 11.31548 1.215528  1.278592       0.2733808 1.257125       0.3653672 1.305897       0.4120702 -0.2144585     2.431055  
1 1 1 -10 5  37 o 137.0814 1.473373  187.4194       4.026121  197.0510       5.992943  179.4965       5.435391  6.384598       2.946746  
1 1 1 -10 5  38 o 117.1478 1.278374  137.3831       2.994880  136.2336       4.200070  138.5722       4.271637  -0.9957733     2.556748  
1 1 1 -10 5  39 o 132.2142 1.427053  175.1197       3.773510  174.6846       5.325430  175.5585       5.347739  -0.3294830     2.854106  
1 1 1 -10 5  40 o 76.38770 0.9007978 58.21346       1.373270  55.72973       1.869261  61.12590       2.024171  -3.527306      1.801596  
1 1 1 -10 5  41 o 24.42823 0.7100170 5.853822       0.3382035 8.002999       0.5160426 4.235676       0.4477736 7.709051       1.420034  
1 1 1 -10 5  42 o 56.01225 0.7486243 31.19067       0.8355176 29.06147       1.123875  33.82139       1.249244  -4.244728      1.497249  
1 1 1 -10 5  43 o 75.77286 0.9097790 57.46341       1.378440  58.34600       1.974317  56.62399       1.925421  1.134102       1.819558  
1 1 1 -10 5  44 o 90.43697 1.036865  81.92119       1.875387  82.14051       2.661137  81.70480       2.643349  0.2399063      2.073729  
1 1 1 -10 5  45 o 21.57686 0.7762505 4.653399       0.3347346 4.870114       0.4841918 4.455007       0.4632732 0.9609756      1.552501  
1 1 1 -10 5  46 o 43.42456 0.6948693 18.78942       0.6020167 20.14699       0.8899456 17.64407       0.8174297 2.878429       1.389739  
1 1 1 -10 5  47 o 61.78212 0.8046287 38.20229       0.9938391 38.82891       1.429830  37.61657       1.382372  0.9784088      1.609257  
1 1 1 -10 5  48 o 44.83142 0.7173249 20.11161       0.6429895 20.61651       0.9227114 19.63498       0.8965036 1.093136       1.434650  
1 1 1 -10 5  49 f 15.75165 1.001927  2.483366       0.3150080 2.714607       0.4550206 2.270534       0.4365315 1.407906       2.003854  
1 1 1 -10 5  50 o 45.18530 0.7274964 20.37301       0.6562001 21.80557       0.9639576 19.13587       0.8958001 2.949009       1.454993  
1 1 1 -10 5  51 f 9.204818 1.465824  0.8145456      0.2970338 1.556778       0.4456032 0.2210114      0.3984751 6.482117       2.931648  
1 1 1 -10 5  52 o 28.82335 0.7623497 8.301557       0.4386119 9.066099       0.6375552 7.614563       0.6043571 2.514896       1.524699  
1 1 1 -10 5  53 o 38.58755 0.7417084 14.87385       0.5714945 15.98321       0.8347676 13.89521       0.7840456 2.700504       1.483417  
1 1 1 -10 5  54 o 37.72495 0.7423968 14.25131       0.5599067 13.74986       0.7798256 14.78487       0.8044015 -1.369232      1.484794  
1 1 1 -10 5  55 o 33.85741 0.7662125 11.43372       0.5175390 12.46752       0.7634438 10.55466       0.7039875 2.818192       1.532425  
1 1 1 -10 5  56 o 26.92083 0.8759726 7.291183       0.4698154 7.042990       0.6885250 7.507424       0.6426803 -0.8692398     1.751945  
1 1 1 -10 5  57 o 72.62957 1.018938  53.12313       1.469334  53.89080       1.971023  52.16287       2.204416  1.231369       2.037876  
1 1 1 -10 5  58 o 44.38443 1.348054  19.79289       1.196652  19.79289       1.196652  ?              ?         ?              ?         
1 1 1 -10 5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 5  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 6  1  o 115.9566 1.781487  133.5721       4.109228  126.2506       5.479475  142.9814       6.211836  -7.211388      3.562975  
1 1 1 -10 6  2  o 393.2933 4.087478  1546.274       32.11440  1589.936       46.78192  1507.361       44.16428  10.47467       8.174956  
1 1 1 -10 6  3  o 409.5651 4.262176  1666.513       34.69140  1573.369       46.05820  1788.643       52.73993  -26.21988      8.524352  
1 1 1 -10 6  4  o 205.4610 2.150436  421.4966       8.822755  409.4792       12.07983  435.2368       12.91668  -6.264374      4.300873  
1 1 1 -10 6  5  o 471.9356 4.905554  2229.680       46.28594  2258.505       66.50233  2202.597       64.46176  5.901917       9.811109  
1 1 1 -10 6  6  o 200.0262 2.105846  397.5850       8.378902  424.5444       12.66469  376.5988       11.17394  11.97812       4.211691  
1 1 1 -10 6  7  o 168.7079 1.777139  284.6661       5.996182  286.3476       8.518617  283.0149       8.441672  0.9874115      3.554278  
1 1 1 -10 6  8  o 518.3110 5.412539  2691.404       56.10756  2689.935       79.34763  2692.872       79.34852  -0.2833252     10.82508  
1 1 1 -10 6  9  o 213.8161 2.235038  457.3208       9.557741  457.2332       13.51138  457.4084       13.52199  -0.4093933E-01 4.470076  
1 1 1 -10 6  10 o 287.0228 2.985983  824.0091       17.13565  835.9305       24.60143  812.7751       23.88154  4.028625       5.971965  
1 1 1 -10 6  11 o 369.4258 3.833807  1366.143       28.32596  1363.168       39.97136  1369.143       40.14711  -0.8069763     7.667614  
1 1 1 -10 6  12 o 72.75723 0.8398217 52.72174       1.218074  55.52049       1.812947  50.41872       1.644569  3.505661       1.679643  
1 1 1 -10 6  13 f 477.9376 4.961124  2287.352       47.40093  2327.076       68.26937  2250.377       65.86533  7.991547       9.922248  
1 1 1 -10 6  14 o 129.9279 1.388646  168.7388       3.606849  165.6832       5.010627  172.0249       5.196139  -2.439743      2.777292  
1 1 1 -10 6  15 o 310.7947 3.232678  964.8158       20.05731  935.8676       27.39628  998.2555       29.44504  -10.01651      6.465356  
1 1 1 -10 6  16 o 330.1714 3.431377  1088.518       22.60796  1051.917       30.76579  1131.484       33.33329  -12.02002      6.862753  
1 1 1 -10 6  17 o 315.5852 3.282147  996.6187       20.70811  1011.702       29.77794  982.4926       28.81707  4.616394       6.564295  
1 1 1 -10 6  18 o 125.1451 1.342703  155.4887       3.340955  166.9671       5.065762  146.6526       4.444593  8.113014       2.685405  
1 1 1 -10 6  19 o 311.0412 3.236774  968.3100       20.12782  953.9065       28.00842  983.6925       28.94473  -4.774628      6.473547  
1 1 1 -10 6  20 o 301.9492 3.146024  912.8170       18.99513  904.9838       26.55951  921.0191       27.17751  -2.645752      6.292048  
1 1 1 -10 6  21 o 93.43281 1.268505  87.37253       2.234722  87.48148       2.737720  87.15498       3.868519  0.1822968      2.537011  
1 1 1 -10 6  22 o 319.7828 4.715774  1025.588       30.13917  1047.356       43.61226  1005.688       41.69857  6.461700       9.431547  
1 1 1 -10 6  23 o 251.4889 3.718209  633.7503       18.69246  645.2374       26.94859  623.0989       25.94993  4.376663       7.436418  
1 1 1 -10 6  24 o 81.84060 1.323163  65.86280       2.139233  74.19812       3.359289  60.17672       2.774551  8.560425       2.646325  
1 1 1 -10 6  25 o 117.3864 1.800042  137.0164       4.204518  129.7155       5.615563  146.3307       6.342807  -7.066559      3.600083  
1 1 1 -10 6  26 o 258.9430 3.317729  671.1459       16.16070  675.1063       28.15793  669.2005       19.73455  0.9247131      6.635458  
1 1 1 -10 6  27 o 340.2969 3.543105  1160.146       24.09324  1135.084       33.25585  1187.832       34.95348  -7.702087      7.086210  
1 1 1 -10 6  28 o 87.83247 1.197599  78.19969       2.032949  72.99413       3.273628  81.46742       2.593695  -4.830582      2.395198  
1 1 1 -10 6  29 o 421.6803 6.246278  1792.333       52.58152  1735.597       71.80003  1857.955       77.21825  -14.19614      12.49256  
1 1 1 -10 6  30 o 344.1017 5.087870  1192.657       35.01383  1198.109       49.75033  1187.305       49.28699  1.546448       10.17574  
1 1 1 -10 6  31 o 99.82328 1.562342  99.47884       3.112688  96.19353       4.241657  103.3126       4.582032  -3.560074      3.124684  
1 1 1 -10 6  32 o 207.3820 2.682443  427.5638       10.35949  421.5612       12.49996  440.7295       18.51227  -4.437073      5.364887  
1 1 1 -10 6  33 o 62.92779 0.7818416 39.29185       0.9788069 42.64054       1.479840  36.68745       1.305060  4.728302       1.563683  
1 1 1 -10 6  34 o 70.90332 0.8482517 50.12215       1.200218  47.90779       1.632485  52.72720       1.770652  -3.396767      1.696503  
1 1 1 -10 6  35 o 135.8231 1.459250  184.5686       3.962318  181.4837       5.507823  187.8778       5.704477  -2.348999      2.918500  
1 1 1 -10 6  36 o 112.5245 1.232209  126.5764       2.770416  123.4217       3.818558  130.0824       4.025552  -2.954384      2.464417  
1 1 1 -10 6  37 o 163.7367 1.739992  268.6412       5.698009  268.4615       8.052822  268.8214       8.063592  -0.1094818     3.479985  
1 1 1 -10 6  38 o 85.68970 0.9825943 72.83334       1.673276  68.05293       2.219771  79.12441       2.546466  -6.451088      1.965189  
1 1 1 -10 6  39 o 35.39034 0.6501586 12.52801       0.4601547 12.37460       0.6462194 12.68579       0.6553916 -0.4394646     1.300317  
1 1 1 -10 6  40 o 116.2481 1.272810  134.5444       2.945111  127.5365       3.940037  143.4178       4.433535  -6.808044      2.545621  
1 1 1 -10 6  41 o 32.24720 0.6578667 10.39871       0.4241292 10.01337       0.5927719 10.80291       0.6071034 -1.223795      1.315733  
1 1 1 -10 6  42 o 89.86006 1.027609  80.57444       1.842059  77.09711       2.498598  84.71480       2.726414  -4.227699      2.055219  
1 1 1 -10 6  43 o 101.9131 1.613582  104.1894       3.287334  102.1565       4.564273  106.3806       4.738611  -2.057877      3.227163  
1 1 1 -10 6  44 o 115.3150 1.270448  133.2639       2.929216  135.1488       4.202686  131.4832       4.084898  1.581154       2.540896  
1 1 1 -10 6  45 o 28.01704 0.7038119 7.857626       0.3942700 7.643345       0.5572658 8.072396       0.5578987 -0.7656689     1.407624  
1 1 1 -10 6  46 o 80.57318 0.9516966 65.03352       1.533578  64.55727       2.158586  65.51891       2.179174  -0.5953751     1.903393  
1 1 1 -10 6  47 o 66.35909 0.8387989 43.83629       1.108783  47.01321       1.661206  41.28388       1.489002  4.305916       1.677598  
1 1 1 -10 6  48 o 28.85261 0.7141163 8.339945       0.4117213 8.196867       0.5917524 8.474198       0.5732139 -0.4817276     1.428233  
1 1 1 -10 6  49 o 77.42613 0.9334776 59.87572       1.441936  57.17944       1.957181  63.07667       2.132492  -3.792374      1.866955  
1 1 1 -10 6  50 o 58.31249 0.7977694 34.06764       0.9303718 34.09998       1.321040  34.03582       1.310512  0.5412292E-01  1.595539  
1 1 1 -10 6  51 o 43.18207 0.7273498 18.62757       0.6271665 19.58990       0.9192832 17.78965       0.8577999 2.079350       1.454700  
1 1 1 -10 6  52 o 40.13251 0.8044962 15.56916       0.6224453 18.27180       1.060200  14.14760       0.7689130 5.108616       1.608992  
1 1 1 -10 6  53 o 31.74193 0.7691819 10.09631       0.4874223 10.13188       0.7116193 10.06487       0.6689922 0.1011105      1.538364  
1 1 1 -10 6  54 o 61.03953 0.8440623 36.86282       1.021380  41.14762       1.577106  33.76737       1.340472  6.016754       1.688125  
1 1 1 -10 6  55 o 27.34232 0.8666945 7.520360       0.4724067 6.876252       0.6718184 8.150343       0.6644111 -2.330849      1.733389  
1 1 1 -10 6  56 o 25.16042 0.8974234 6.386074       0.4459044 5.160061       0.6229787 7.674003       0.6385164 -4.993454      1.794847  
1 1 1 -10 6  57 o 35.76796 1.011211  12.77397       0.6832069 12.60378       0.8357490 13.11682       1.186208  -0.6553001     2.022423  
1 1 1 -10 6  58 o 53.92392 1.693358  29.30163       1.826249  29.30163       1.826249  ?              ?         ?              ?         
1 1 1 -10 6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 6  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 7  1  o 322.7235 4.747585  1041.305       30.59631  1074.970       44.77345  1011.811       41.90799  9.751709       9.495170  
1 1 1 -10 7  2  o 521.8905 5.497644  2695.912       56.69901  2527.346       73.77087  2939.205       88.62674  -39.25934      10.99529  
1 1 1 -10 7  3  o 379.4954 3.942713  1440.626       29.90426  1414.656       41.39018  1468.986       43.25333  -7.140472      7.885426  
1 1 1 -10 7  4  o 155.0568 1.637912  240.3169       5.076757  244.9891       7.322604  235.9927       7.044696  2.899902       3.275823  
1 1 1 -10 7  5  o 440.6328 4.581707  1939.892       40.29121  2009.363       59.31927  1880.392       54.89797  14.58606       9.163413  
1 1 1 -10 7  6  o 489.9949 5.090403  2404.869       49.87856  2424.774       71.24118  2385.730       69.85706  3.967102       10.18081  
1 1 1 -10 7  7  o 513.1625 5.353320  2627.179       54.71222  2758.057       81.92558  2521.817       73.50677  22.90714       10.70664  
1 1 1 -10 7  8  o 503.5937 5.706275  2528.252       56.53419  2616.322       88.98579  2468.646       73.20699  14.43649       11.41255  
1 1 1 -10 7  9  f 521.8168 5.804206  2732.228       60.21076  2754.056       81.01524  2705.295       89.99226  4.806396       11.60841  
1 1 1 -10 7  10 o 338.7524 3.519977  1147.540       23.82841  1123.942       32.91253  1173.534       34.54351  -7.304504      7.039953  
1 1 1 -10 7  11 o 128.9626 1.512613  162.2009       3.756882  181.3783       6.367331  151.9593       4.653147  11.39886       3.025226  
1 1 1 -10 7  12 o 342.9016 3.564847  1171.950       24.35438  1122.601       32.77840  1232.768       36.38836  -16.02664      7.129694  
1 1 1 -10 7  13 o 269.1310 2.802229  724.8035       15.08329  723.9280       21.30078  725.6841       21.36134  -0.3257446     5.604458  
1 1 1 -10 7  14 o 548.8745 5.707118  3021.469       62.64627  3038.557       89.16171  3004.809       88.03938  3.053467       11.41424  
1 1 1 -10 7  15 o 378.7470 4.254694  1433.768       31.78233  1456.713       49.39951  1417.563       41.51554  5.050934       8.509388  
1 1 1 -10 7  16 o 177.7404 1.869859  315.7279       6.641394  323.1657       9.631454  308.9854       9.170212  3.985764       3.739718  
1 1 1 -10 7  17 o 233.6429 2.440830  545.9547       11.40015  536.5704       15.82979  556.0659       16.43153  -4.165939      4.881660  
1 1 1 -10 7  18 o 27.92575 0.6910790 7.797692       0.3859453 7.928055       0.5496541 7.670914       0.5420438 0.4603767      1.382158  
1 1 1 -10 7  19 o 194.5649 2.041613  377.5646       7.922921  363.3629       10.74107  394.5136       11.73407  -7.995117      4.083225  
1 1 1 -10 7  20 o 88.16041 0.9835096 77.73296       1.734110  77.94885       2.459841  77.51965       2.445030  0.2433472      1.967019  
1 1 1 -10 7  21 o 35.03105 0.5833196 11.87840       0.4020497 14.87277       0.6395490 9.921799       0.5169780 7.066114       1.166639  
1 1 1 -10 7  22 o 234.0540 2.448367  548.4281       11.46086  549.7589       16.25548  547.1127       16.16114  0.5637207      4.896734  
1 1 1 -10 7  23 o 298.2383 3.106768  889.2425       18.49444  860.7430       25.22413  922.3755       27.19737  -10.28653      6.213535  
1 1 1 -10 7  24 o 72.12111 0.8431517 51.60839       1.209767  48.19664       1.612976  55.99553       1.829065  -5.405327      1.686303  
1 1 1 -10 7  25 o 125.6098 1.910615  157.8257       4.797434  155.5085       6.661211  160.3229       6.915103  -1.912598      3.821231  
1 1 1 -10 7  26 o 182.5611 3.850157  333.8379       14.05778  333.8379       14.05778  ?              ?         ?              ?         
1 1 1 -10 7  27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 7  28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 7  29 o 253.2369 5.307148  643.7762       26.87932  643.7762       26.87932  ?              ?         ?              ?         
1 1 1 -10 7  30 o 87.69913 1.205919  78.34131       2.059814  70.01984       3.205261  84.19561       2.688447  -8.088547      2.411838  
1 1 1 -10 7  31 o 130.2547 1.720462  170.1451       4.236938  168.8347       7.284211  170.8151       5.208721  -0.8000183     3.440923  
1 1 1 -10 7  32 o 135.8599 1.457974  184.6971       3.961211  186.0898       5.649467  183.3504       5.555707  1.006454       2.915947  
1 1 1 -10 7  33 f 126.3095 1.364527  159.5288       3.444637  163.1110       4.984778  156.2548       4.765521  2.709671       2.729054  
1 1 1 -10 7  34 o 67.06858 0.8223632 44.85218       1.100946  42.77269       1.500729  47.27550       1.620054  -3.355270      1.644726  
1 1 1 -10 7  35 o 62.25861 0.7929243 38.51476       0.9833696 35.97390       1.320337  41.67995       1.473649  -4.580231      1.585849  
1 1 1 -10 7  36 o 66.05061 0.8120905 43.56957       1.071513  45.14925       1.562332  42.16658       1.472364  2.256210       1.624181  
1 1 1 -10 7  37 o 111.9666 1.227764  125.4392       2.748273  123.3154       3.821904  127.7133       3.954792  -1.959702      2.455528  
1 1 1 -10 7  38 f 8.787456 1.403740  0.7969214      0.2500217 0.5242517      0.3534518 1.070000       0.3537166 -3.099829      2.807480  
1 1 1 -10 7  39 o 64.26644 0.8041978 40.59187       1.021964  36.68800       1.328847  46.24350       1.598876  -7.426861      1.608396  
1 1 1 -10 7  40 o 35.88724 0.6529461 12.87068       0.4683759 13.44347       0.6750149 12.33883       0.6504359 1.538395       1.305892  
1 1 1 -10 7  41 f 69.06710 0.8455410 47.53366       1.164509  45.12717       1.574542  50.43937       1.730166  -3.839722      1.691082  
1 1 1 -10 7  42 o 100.5820 1.127170  101.2998       2.266662  99.71783       3.155410  102.9864       3.258146  -1.619141      2.254340  
1 1 1 -10 7  43 o 36.18359 0.9686193 13.11201       0.7009100 13.20432       0.9874903 13.01827       0.9950255 0.2574806      1.937239  
1 1 1 -10 7  44 o 72.63173 0.8819070 52.53526       1.276163  55.97728       1.909173  49.75517       1.715807  4.273529       1.763814  
1 1 1 -10 7  45 o 39.96942 0.6814789 15.96287       0.5443074 15.25050       0.7520481 16.74656       0.7888002 -1.869808      1.362958  
1 1 1 -10 7  46 o 85.06628 0.9922633 72.18926       1.683038  68.67785       2.274901  76.43528       2.501563  -4.543816      1.984527  
1 1 1 -10 7  47 o 44.43329 0.7085274 19.71335       0.6287567 20.80356       0.9192346 18.75484       0.8619226 2.302097       1.417055  
1 1 1 -10 7  48 o 57.75057 0.7922055 33.02067       0.9094041 29.91403       1.207833  37.08693       1.381843  -6.197929      1.584411  
1 1 1 -10 7  49 f 42.07680 0.7259827 17.72049       0.6103899 16.68941       0.8524460 18.80540       0.8744166 -2.512810      1.451965  
1 1 1 -10 7  50 o 11.07671 1.487633  1.228212       0.3201992 1.630564       0.4908896 0.9302445      0.4224403 3.313093       2.975267  
1 1 1 -10 7  51 o 5.780411 1.692770  0.8045949E-01  0.3202470 0.1513384      0.4720946 0.2004137E-01  0.4358670 0.6304832      3.385539  
1 1 1 -10 7  52 o 42.31123 0.7546244 17.93333       0.6380863 18.10623       0.9226429 17.77482       0.8834155 0.3877525      1.509249  
1 1 1 -10 7  53 o 32.65709 0.7753463 10.54681       0.5030142 12.15112       0.7644610 9.321831       0.6679966 4.321579       1.550693  
1 1 1 -10 7  54 o 39.94625 0.7641680 16.00022       0.6099362 15.88202       0.8801593 16.10942       0.8460138 -0.2884521     1.528336  
1 1 1 -10 7  55 o 19.82848 1.018731  4.010832       0.3971400 3.254899       0.5726528 4.711290       0.5512405 -3.675859      2.037462  
1 1 1 -10 7  56 f 7.102266 1.808536  0.2489831      0.3621301 0.8353403      0.5582383 -0.1770407     0.4758340 3.902631       3.617072  
1 1 1 -10 7  57 o 67.37079 1.504318  46.15175       1.586536  46.30431       1.764201  45.50674       3.627659  1.063431       3.008636  
1 1 1 -10 7  58 o 24.01943 2.681379  5.884547       1.288104  5.884547       1.288104  ?              ?         ?              ?         
1 1 1 -10 7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 8  1  o 200.0756 2.969388  399.9407       11.86592  412.3688       17.33016  388.9720       16.28083  5.838181       5.938775  
1 1 1 -10 8  2  o 450.1540 4.679444  2029.879       42.12938  2029.040       59.54211  2030.720       59.61785  -0.1855774     9.358889  
1 1 1 -10 8  3  f 233.2980 2.435097  542.9557       11.33394  565.9264       16.74825  523.5485       15.39442  9.073257       4.870194  
1 1 1 -10 8  4  o 180.8252 1.901391  327.0627       6.876290  325.9077       9.693282  328.2326       9.756107  -0.6425629     3.802783  
1 1 1 -10 8  5  o 529.2710 6.009377  2759.775       61.52256  2999.325       102.6038  2625.298       76.87534  34.91019       12.01875  
1 1 1 -10 8  6  o 478.3741 4.972335  2292.839       47.57259  2287.466       67.18024  2298.243       67.37579  -1.123657      9.944671  
1 1 1 -10 8  7  o 409.9776 4.266192  1682.859       34.97257  1700.075       50.10359  1666.502       48.83806  4.079285       8.532384  
1 1 1 -10 8  8  o 194.2813 2.037669  375.0998       7.873313  400.1304       11.91215  355.6826       10.49171  11.43074       4.075339  
1 1 1 -10 8  9  o 523.1105 5.447114  2742.188       56.97483  2787.439       81.68800  2699.322       79.50548  8.387390       10.89423  
1 1 1 -10 8  10 o 329.6514 3.428777  1085.752       22.56750  1121.213       33.08437  1054.895       30.86194  10.03561       6.857555  
1 1 1 -10 8  11 o 580.9023 6.040614  3385.531       70.17960  3388.462       99.46201  3382.624       99.03723  0.4943848      12.08123  
1 1 1 -10 8  12 o 219.2968 2.292810  481.0895       10.05499  477.3319       14.09467  484.9837       14.34853  -1.742676      4.585619  
1 1 1 -10 8  13 o 339.3991 3.527104  1152.778       23.93107  1135.163       33.25303  1171.702       34.46690  -5.367554      7.054208  
1 1 1 -10 8  14 f 462.4186 4.802242  2143.281       44.40639  2124.238       62.16829  2163.118       63.45161  -4.180450      9.604484  
1 1 1 -10 8  15 o 203.1151 3.016521  412.0157       12.22908  427.6442       17.99405  398.6013       16.67072  7.132904       6.033041  
1 1 1 -10 8  16 o 323.3437 3.362896  1046.433       21.73675  1029.885       30.18270  1064.265       31.33021  -5.299133      6.725792  
1 1 1 -10 8  17 o 133.6836 1.429211  177.8744       3.806180  169.3846       5.116503  188.3942       5.695417  -7.105957      2.858422  
1 1 1 -10 8  18 o 89.68765 0.9971227 80.36871       1.787210  78.48580       2.469504  82.43948       2.589777  -2.203514      1.994245  
1 1 1 -10 8  19 o 60.93214 0.8098311 36.46693       0.9583656 34.51548       1.203936  39.84235       1.583393  -4.369423      1.619662  
1 1 1 -10 8  20 o 344.9005 3.591568  1191.083       24.75462  1165.055       34.19297  1219.750       35.88491  -7.891632      7.183136  
1 1 1 -10 8  21 o 88.35921 1.203816  78.02604       2.007699  78.30573       3.473477  77.88570       2.460322  0.2293854      2.407632  
1 1 1 -10 8  22 o 24.67075 0.7772618 6.094584       0.3830323 5.803206       0.5454360 6.378091       0.5380189 -1.165155      1.554524  
1 1 1 -10 8  23 o 237.8052 3.516974  567.0670       16.72592  563.5596       23.48903  570.6748       23.82255  -1.486542      7.033949  
1 1 1 -10 8  24 o 273.3173 4.035020  749.4547       22.04999  739.5414       30.73006  759.9753       31.65742  -3.708771      8.070040  
1 1 1 -10 8  25 o 223.8300 2.872403  501.9685       12.12105  502.0591       14.84474  501.7874       20.99552  0.1984253      5.744807  
1 1 1 -10 8  26 o 327.3723 3.410820  1074.161       22.32166  1093.319       32.16382  1056.359       31.00335  5.610931       6.821641  
1 1 1 -10 8  27 o 191.1765 2.011552  365.8310       7.690630  363.2859       10.79570  368.4533       10.95852  -1.348495      4.023103  
1 1 1 -10 8  28 o 154.3619 1.640528  238.4484       5.064666  237.8156       7.146428  239.0869       7.178719  -0.4113159     3.281056  
1 1 1 -10 8  29 o 140.5688 1.505249  197.6098       4.229465  201.1056       6.103513  194.3806       5.866272  2.388336       3.010499  
1 1 1 -10 8  30 o 106.8075 1.441084  113.7692       2.885869  113.0576       3.509778  115.2545       5.070529  -1.003670      2.882169  
1 1 1 -10 8  31 o 159.3686 2.399978  252.8221       7.607879  239.5824       10.14403  269.8430       11.50175  -9.454254      4.799955  
1 1 1 -10 8  32 o 276.9434 4.109465  771.8492       22.75414  761.0195       31.69140  783.3723       32.69025  -3.977631      8.218929  
1 1 1 -10 8  33 o 153.2573 2.317059  235.4405       7.101947  234.5945       10.00156  236.3009       10.08631  -0.5535889     4.634118  
1 1 1 -10 8  34 o 221.2541 3.297529  491.7110       14.57878  503.7968       21.15944  480.7887       20.11519  5.137924       6.595057  
1 1 1 -10 8  35 o 14.10182 1.305593  2.003561       0.3577912 1.934895       0.5736877 2.047271       0.4577159 -0.4016953     2.611186  
1 1 1 -10 8  36 o 46.83900 0.8438675 22.44310       0.7552594 20.17633       1.234901  23.79764       0.9546098 -3.871403      1.687735  
1 1 1 -10 8  37 o 92.48050 1.045160  85.54470       1.932062  87.31477       2.788965  83.91140       2.679047  1.836647       2.090321  
1 1 1 -10 8  38 f 125.3769 1.361147  156.5711       3.397287  166.4465       5.108718  148.7417       4.548851  7.035110       2.722295  
1 1 1 -10 8  39 f 61.19250 0.7809907 37.46923       0.9558128 37.35338       1.351092  37.58530       1.352356  -0.1894684     1.561981  
1 1 1 -10 8  40 o 22.92566 0.7176251 5.237620       0.3277811 4.629018       0.4493632 5.929657       0.4791769 -2.835701      1.435250  
1 1 1 -10 8  41 o 56.00692 0.8106034 31.55354       0.9031560 29.30484       1.315715  33.55728       1.241983  -3.799152      1.621207  
1 1 1 -10 8  42 o 63.63993 1.149221  40.47262       1.460644  38.57722       2.001689  42.63129       2.136190  -3.177132      2.298443  
1 1 1 -10 8  43 o 85.17265 1.148615  72.20712       1.946493  77.31535       2.938604  68.21373       2.598227  5.321480       2.297230  
1 1 1 -10 8  44 o 57.65603 0.7794179 33.23672       0.8977109 34.08455       1.307560  32.48076       1.234682  1.387283       1.558836  
1 1 1 -10 8  45 o 36.50161 0.6960121 13.33665       0.5077778 13.33231       0.7314111 13.34069       0.7055019 -0.1274109E-01 1.392024  
1 1 1 -10 8  46 o 95.17065 1.089073  90.79461       2.072830  90.00172       2.911874  91.60916       2.951375  -0.8412628     2.178146  
1 1 1 -10 8  47 o 29.74502 0.7316353 8.751450       0.4325927 10.06188       0.6540998 7.732679       0.5767347 3.910479       1.463271  
1 1 1 -10 8  48 o 21.69225 0.8700786 4.792438       0.3694024 3.693690       0.5261320 5.860666       0.5187734 -4.995417      1.740157  
1 1 1 -10 8  49 o 37.91052 0.7356992 14.21328       0.5538357 15.96678       0.8472655 12.90503       0.7318357 4.029209       1.471398  
1 1 1 -10 8  50 o 66.11964 0.8619767 43.82346       1.139812  43.67735       1.618703  43.96714       1.605255  -0.2204590     1.723953  
1 1 1 -10 8  51 o 20.11662 0.9381271 4.041260       0.3765315 4.435457       0.5526807 3.699815       0.5143726 1.823975       1.876254  
1 1 1 -10 8  52 o 52.93675 0.7937294 27.86709       0.8358874 30.22028       1.264047  26.03840       1.114308  3.933857       1.587459  
1 1 1 -10 8  53 o 47.56284 0.7793754 22.68188       0.7411827 22.43409       1.057076  22.92151       1.039526  -0.5143318     1.558751  
1 1 1 -10 8  54 o 28.57133 0.8473923 7.989085       0.4779880 9.967622       0.7415162 6.582494       0.6252195 5.909479       1.694785  
1 1 1 -10 8  55 o 36.05641 0.7982671 12.92239       0.5724931 14.16547       0.8669792 11.96129       0.7623332 3.042526       1.596534  
1 1 1 -10 8  56 o 18.88518 1.113225  3.587137       0.4188960 3.604732       0.6204507 3.572399       0.5678541 0.7528687E-01  2.226449  
1 1 1 -10 8  57 o 28.36561 1.854329  8.111070       1.000697  7.936179       1.231895  8.450366       1.715852  -0.7419872     3.708657  
1 1 1 -10 8  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 9  1  o 326.7260 3.404614  1067.558       22.22828  1093.961       32.24968  1043.662       30.68008  7.679626       6.809228  
1 1 1 -10 9  2  o 171.9510 1.812649  295.5906       6.230522  290.7663       8.647400  300.7988       8.984862  -2.915283      3.625298  
1 1 1 -10 9  3  o 561.1989 5.848413  3158.892       65.63524  3135.446       92.01628  3183.178       93.64977  -4.221863      11.69683  
1 1 1 -10 9  4  f 495.7447 5.156765  2463.423       51.12444  2473.513       72.83889  2453.626       71.77461  1.988129       10.31353  
1 1 1 -10 9  5  o 323.6610 3.364598  1047.885       21.76574  1028.809       30.14315  1068.667       31.46198  -6.143158      6.729197  
1 1 1 -10 9  6  o 400.4726 4.157793  1606.321       33.30149  1608.440       47.17942  1604.217       47.01186  0.5249329      8.315586  
1 1 1 -10 9  7  o 195.3284 2.047985  380.1026       7.972200  364.1454       10.74674  399.6299       11.88827  -9.075562      4.095969  
1 1 1 -10 9  8  o 59.10616 0.7201813 34.45233       0.8430634 31.67229       1.102790  38.36207       1.307796  -5.658623      1.440363  
1 1 1 -10 9  9  o 392.3215 4.072866  1540.965       31.94463  1565.643       45.96125  1517.902       44.43068  6.062653       8.145732  
1 1 1 -10 9  10 o 130.8869 1.398824  171.2341       3.659742  168.1105       5.075670  174.6167       5.281794  -2.484406      2.797647  
1 1 1 -10 9  11 o 118.6637 1.277032  140.8321       3.030691  141.3475       4.301947  140.3244       4.270316  0.4309464      2.554065  
1 1 1 -10 9  12 o 340.8396 3.543833  1161.545       24.12422  1196.518       35.23898  1130.698       33.09543  9.625153       7.087667  
1 1 1 -10 9  13 o 108.7307 1.180454  118.1738       2.565803  116.1201       3.562927  120.3861       3.698029  -1.961067      2.360908  
1 1 1 -10 9  14 o 166.6768 1.760276  275.3113       5.821472  297.9811       8.930882  258.5628       7.676398  11.81471       3.520552  
1 1 1 -10 9  15 o 192.9525 2.025033  372.5161       7.814702  372.4207       11.05056  372.6115       11.05276  -0.4943848E-01 4.050065  
1 1 1 -10 9  16 o 117.6585 1.275543  135.2788       2.946054  154.8201       4.746024  123.0291       3.757649  13.50331       2.551086  
1 1 1 -10 9  17 o 333.0915 3.467570  1111.536       23.09962  1117.051       32.82711  1106.126       32.51077  1.633820       6.935139  
1 1 1 -10 9  18 o 309.1580 3.945048  957.7858       22.97930  959.8375       39.87495  956.7656       28.11786  0.2236633      7.890096  
1 1 1 -10 9  19 o 57.63216 1.010696  29.39970       1.075939  43.94513       2.067132  23.99478       1.260085  17.30293       2.021393  
1 1 1 -10 9  20 o 201.4713 2.986983  406.6526       12.03582  406.6106       17.02419  406.6945       17.01826  -0.2095032E-01 5.973966  
1 1 1 -10 9  21 o 53.47795 0.9557767 27.78636       1.004498  24.41875       1.282918  33.12184       1.614823  -8.134567      1.911553  
1 1 1 -10 9  22 o 66.13800 0.9637665 42.83371       1.180511  41.40234       1.411470  46.16586       2.153570  -3.595512      1.927533  
1 1 1 -10 9  23 o 98.65109 1.088249  97.32475       2.146750  98.39283       3.071214  96.30432       3.001897  1.057953       2.176498  
1 1 1 -10 9  24 o 144.4936 1.541273  208.8214       4.452783  205.9624       6.207634  211.8515       6.390727  -2.035583      3.082547  
1 1 1 -10 9  25 o 278.2455 2.902868  775.7952       16.15390  773.4121       22.76421  778.2124       22.92680  -0.8584900     5.805735  
1 1 1 -10 9  26 o 170.7008 1.804863  291.2028       6.154235  299.8860       8.974544  283.4951       8.455440  4.792526       3.609726  
1 1 1 -10 9  27 o 65.64539 0.7964721 43.08609       1.045506  42.31548       1.461821  43.89306       1.495906  -1.201324      1.592944  
1 1 1 -10 9  28 o 61.35436 0.7664175 37.45480       0.9371004 39.90055       1.399130  35.46505       1.261977  3.613564       1.532835  
1 1 1 -10 9  29 o 122.6828 1.326916  150.5931       3.255780  150.1912       4.595866  150.9979       4.612916  -0.3285065     2.653831  
1 1 1 -10 9  30 o 144.1804 1.540481  207.1605       4.426249  218.1132       6.602791  198.2216       5.965008  6.886292       3.080961  
1 1 1 -10 9  31 o 171.0035 1.811411  292.1921       6.184593  283.0378       8.455163  302.7258       9.069822  -5.741150      3.622823  
1 1 1 -10 9  32 o 105.5295 1.164590  110.8664       2.448502  105.3795       3.292645  117.6541       3.662167  -5.808929      2.329179  
1 1 1 -10 9  33 o 185.0314 1.954256  342.9967       7.231796  341.4785       10.18394  344.5410       10.27123  -0.8246002     3.908512  
1 1 1 -10 9  34 o 176.4842 1.869097  312.1156       6.597318  312.0663       9.335141  312.1648       9.324900  -0.2830505E-01 3.738194  
1 1 1 -10 9  35 o 80.09361 1.147509  64.00130       1.726917  63.61103       2.104650  64.80551       3.021139  -0.7209778     2.295017  
1 1 1 -10 9  36 o 156.9748 2.057501  246.9469       6.078451  246.3626       7.427499  248.1317       10.57692  -0.3827515     4.115003  
1 1 1 -10 9  37 o 104.2904 1.640231  108.7713       3.414717  113.1669       5.019088  104.9834       4.659243  3.904083       3.280463  
1 1 1 -10 9  38 o 39.64838 0.9369679 15.73273       0.7429513 15.63218       1.044653  15.83563       1.056837  -0.2561569     1.873936  
1 1 1 -10 9  39 o 22.73944 1.062018  5.163985       0.4811413 5.834932       0.6990529 4.560036       0.6632324 2.801641       2.124036  
1 1 1 -10 9  40 o 135.0115 2.074027  183.2876       5.600019  182.2809       7.868931  184.3207       7.971310  -0.7456665     4.148054  
1 1 1 -10 9  41 o 57.87585 0.9395756 33.79358       1.031593  32.72135       1.750007  34.36458       1.277066  -1.441559      1.879151  
1 1 1 -10 9  42 o 51.02332 0.7964588 26.23069       0.8071806 23.24512       1.160004  29.03332       1.123903  -5.673653      1.592918  
1 1 1 -10 9  43 o 24.71690 0.7632256 6.159191       0.3739542 5.268165       0.5326685 7.025124       0.5251145 -3.554499      1.526451  
1 1 1 -10 9  44 o 70.76916 0.8737999 50.11200       1.236144  48.71268       1.715432  51.62347       1.782860  -2.052460      1.747600  
1 1 1 -10 9  45 o 22.19968 0.8050863 4.921827       0.3569236 5.172804       0.5224432 4.702160       0.4887700 1.058098       1.610173  
1 1 1 -10 9  46 o 10.64163 1.450387  1.122475       0.3038052 2.008842       0.4691771 0.4824858      0.3986726 7.018466       2.900774  
1 1 1 -10 9  47 o 38.84425 0.7162379 15.11172       0.5562163 14.97920       0.7958229 15.23828       0.7777073 -0.3346481     1.432476  
1 1 1 -10 9  48 o 44.50245 0.7337604 19.76571       0.6514263 20.78621       0.9638360 18.90753       0.8838625 2.104721       1.467521  
1 1 1 -10 9  49 o 66.44859 0.8657187 44.14016       1.148962  41.94722       1.576359  46.62551       1.678171  -3.510689      1.731437  
1 1 1 -10 9  50 o 37.64870 0.7430328 14.12204       0.5573387 15.07450       0.8338203 13.35283       0.7493249 2.279022       1.486066  
1 1 1 -10 9  51 f 15.76795 1.125109  2.467249       0.3525064 2.785649       0.5368214 2.225878       0.4673966 1.764820       2.250218  
1 1 1 -10 9  52 o 25.88989 0.8604268 6.764629       0.4392846 5.409671       0.6150038 8.175992       0.6276743 -5.341003      1.720854  
1 1 1 -10 9  53 o 39.85502 0.7649885 15.84602       0.6079829 16.91578       0.9031599 14.95952       0.8221708 2.445190       1.529977  
1 1 1 -10 9  54 o 19.38117 1.041182  3.760797       0.4015934 3.904252       0.6030599 3.646491       0.5383161 0.6544743      2.082363  
1 1 1 -10 9  55 o 25.98052 1.410149  7.033086       0.7090777 5.390018       1.051191  8.404899       0.9605082 -5.823936      2.820298  
1 1 1 -10 9  56 o 22.92130 1.689565  5.254742       0.7612089 4.033884       1.018223  6.801547       1.146114  -5.999361      3.379130  
1 1 1 -10 9  57 o 45.20723 1.599933  20.15401       1.235785  19.64477       1.410254  21.83860       2.564974  -2.078037      3.199867  
1 1 1 -10 9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 9  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 10 1  o 305.9338 3.186115  935.9752       19.47489  914.6947       26.82860  959.6788       28.31475  -7.332611      6.372230  
1 1 1 -10 10 2  o 173.7375 1.837731  295.8868       6.277897  334.3996       10.04246  271.1816       8.043262  18.17882       3.675462  
1 1 1 -10 10 3  o 371.0527 3.862261  1379.027       28.66115  1387.380       40.73021  1370.834       40.33860  2.223602       7.724521  
1 1 1 -10 10 4  o 285.8683 2.975597  815.8018       16.97270  787.7725       23.07858  848.8198       25.04828  -10.65448      5.951194  
1 1 1 -10 10 5  o 214.3831 2.243157  459.3022       9.608125  471.6088       13.97052  448.2571       13.23517  5.439728       4.486314  
1 1 1 -10 10 6  o 206.8383 2.167041  427.7872       8.959711  420.6081       12.43006  435.5511       12.92640  -3.607986      4.334081  
1 1 1 -10 10 7  f 228.6677 2.389224  523.0926       10.92427  517.1453       15.25572  529.3517       15.65035  -2.665237      4.778448  
1 1 1 -10 10 8  o 457.5881 4.752768  2098.061       43.47248  2060.945       60.29909  2138.233       62.73180  -8.397339      9.505535  
1 1 1 -10 10 9  o 69.47010 0.8113604 48.21960       1.126613  49.51493       1.628514  47.03063       1.560223  1.787796       1.622721  
1 1 1 -10 10 10 f 135.7669 1.447423  184.1495       3.926228  179.6852       5.407920  189.1254       5.709384  -3.474686      2.894846  
1 1 1 -10 10 11 o 260.1349 2.712532  676.3224       14.09376  658.5806       19.34573  696.3887       20.57411  -7.251617      5.425065  
1 1 1 -10 10 12 f 253.2205 2.641423  641.7809       13.37664  638.1517       18.80919  645.4946       19.02755  -1.447113      5.282847  
1 1 1 -10 10 13 o 441.2660 4.593904  1939.071       40.27647  2070.440       61.26955  1839.104       53.44740  26.03061       9.187808  
1 1 1 -10 10 14 o 106.0664 2.329592  0.000000       0.000000  ?              ?         112.5467       4.941827  ?              ?         
1 1 1 -10 10 15 o 256.7245 3.788942  659.0091       19.41464  637.4481       26.46530  684.1323       28.56801  -9.047363      7.577884  
1 1 1 -10 10 16 o 381.4428 5.624249  1462.844       42.90617  1461.046       60.52800  1464.660       60.83009  -0.4634399     11.24850  
1 1 1 -10 10 17 o 122.5461 1.860371  147.8617       4.499891  136.3957       5.825713  164.8214       7.085179  -11.58256      3.720742  
1 1 1 -10 10 18 o 107.9357 1.407666  118.3954       2.977836  128.0057       3.942251  105.6263       4.544198  10.37302       2.815333  
1 1 1 -10 10 19 o 110.1415 1.198299  121.0694       2.634804  116.9996       3.597318  125.7794       3.869952  -3.983116      2.396597  
1 1 1 -10 10 20 o 208.8041 2.189274  436.2430       9.138414  429.4282       12.69689  443.5673       13.16305  -3.377502      4.378548  
1 1 1 -10 10 21 o 187.3408 1.972177  351.2451       7.388877  349.2262       10.37769  353.3207       10.52272  -1.090546      3.944354  
1 1 1 -10 10 22 o 269.2432 2.809901  725.2168       15.11363  707.2170       20.78793  745.3994       22.01239  -7.063873      5.619803  
1 1 1 -10 10 23 o 295.3464 3.078154  874.0351       18.17892  883.7147       26.01647  864.8000       25.41195  3.186737       6.156308  
1 1 1 -10 10 24 o 131.1235 1.407313  172.0022       3.690332  170.7656       5.179276  173.2773       5.259483  -0.9567871     2.814625  
1 1 1 -10 10 25 o 177.0371 1.868889  312.2466       6.591165  329.4914       9.859287  298.3116       8.862773  8.788788       3.737778  
1 1 1 -10 10 26 o 233.2726 2.442201  544.8301       11.38971  536.9442       15.85039  553.2493       16.37750  -3.482178      4.884402  
1 1 1 -10 10 27 o 100.8115 1.116716  101.6671       2.251525  101.7721       3.193348  101.5633       3.175007  0.1033554      2.233432  
1 1 1 -10 10 28 o 122.4755 1.325440  149.9885       3.245072  147.1478       4.504330  153.0540       4.679109  -2.408577      2.650880  
1 1 1 -10 10 29 o 228.2475 2.392880  521.5597       10.91555  532.9666       15.79886  511.1414       15.09875  4.760635       4.785760  
1 1 1 -10 10 30 o 130.1692 1.402494  169.5393       3.650580  171.2118       5.221534  167.9400       5.105811  1.254471       2.804988  
1 1 1 -10 10 31 o 133.6739 1.438612  177.9467       3.830425  169.4547       5.145298  188.5039       5.736946  -7.111801      2.877224  
1 1 1 -10 10 32 o 65.10269 0.8086911 42.39754       1.052912  41.88269       1.487372  42.91471       1.490720  -0.7925720     1.617382  
1 1 1 -10 10 33 o 153.7352 1.639433  236.6662       5.039866  234.0497       7.047534  239.4049       7.210142  -1.736130      3.278865  
1 1 1 -10 10 34 o 29.47629 0.6659566 8.498165       0.3878348 10.56073       0.5983059 7.003413       0.5093359 6.032806       1.331913  
1 1 1 -10 10 35 f 171.1502 1.817126  293.6577       6.219692  291.6060       8.740679  295.7621       8.852329  -1.208542      3.634253  
1 1 1 -10 10 36 o 33.58681 0.6627038 11.29500       0.4446279 10.66885       0.6293427 11.91899       0.6282564 -1.861088      1.325408  
1 1 1 -10 10 37 o 97.41833 1.093105  94.99912       2.129436  95.83321       3.043449  94.19919       2.980493  0.8362808      2.186210  
1 1 1 -10 10 38 o 169.9450 1.808753  289.7602       6.144801  294.8423       8.856017  285.0421       8.533099  2.859116       3.617507  
1 1 1 -10 10 39 f 38.49146 0.6694602 14.79752       0.5146063 15.29657       0.7527904 14.35972       0.7050769 1.215511       1.338920  
1 1 1 -10 10 40 o 100.9249 1.133372  101.7872       2.283245  105.9095       3.357787  98.24187       3.113971  3.785141       2.266744  
1 1 1 -10 10 41 o 34.23888 1.437947  11.74131       0.9846742 11.74131       0.9846742 ?              ?         ?              ?         
1 1 1 -10 10 42 o 61.36280 1.136030  37.67629       1.392566  38.83025       2.029411  36.64943       1.914391  1.769577       2.272060  
1 1 1 -10 10 43 o 82.82104 1.382787  68.59697       2.284581  72.09111       3.381136  65.66158       3.099036  3.855782       2.765574  
1 1 1 -10 10 44 o 36.78835 0.9822456 13.53630       0.7220579 14.29464       1.045265  12.84413       0.9986199 1.968216       1.964491  
1 1 1 -10 10 45 o 61.45607 1.147135  37.84727       1.409327  36.81153       1.957476  38.96197       2.030719  -1.742962      2.294271  
1 1 1 -10 10 46 o 51.18970 1.060535  26.26004       1.085430  25.61037       1.512461  26.94999       1.558640  -1.304249      2.121070  
1 1 1 -10 10 47 o 62.35871 1.003870  38.96561       1.180780  39.08562       2.044779  38.90557       1.446293  0.8587646E-01  2.007739  
1 1 1 -10 10 48 o 37.51765 0.8064975 14.27889       0.5943124 13.03911       0.9079619 15.20824       0.7861140 -2.901081      1.612995  
1 1 1 -10 10 49 o 17.80312 1.001597  3.188276       0.3542340 3.102138       0.5286663 3.258460       0.4772026 -0.4449329     2.003193  
1 1 1 -10 10 50 o 48.87325 0.7671966 23.93989       0.7495178 22.96876       1.056722  24.92308       1.063264  -1.998745      1.534393  
1 1 1 -10 10 51 o 35.13735 0.7717530 12.37796       0.5404586 12.33201       0.7975302 12.41698       0.7349475 -0.1274376     1.543506  
1 1 1 -10 10 52 o 75.62688 1.162308  58.66674       1.692120  52.86975       2.719978  62.32679       2.161262  -6.343102      2.324617  
1 1 1 -10 10 53 o 43.07374 1.136539  18.64078       0.9762065 18.82100       1.439984  18.48752       1.327942  0.3682556      2.273077  
1 1 1 -10 10 54 o 41.80317 1.021108  17.34960       0.8430151 16.30804       1.095331  18.86310       1.320361  -3.017288      2.042215  
1 1 1 -10 10 55 o 51.76235 0.8152357 26.87116       0.8435166 27.20317       1.215997  26.56321       1.171095  0.6117134      1.630471  
1 1 1 -10 10 56 o 35.18285 1.026768  12.17202       0.6798577 11.66764       0.8234649 13.25187       1.204895  -2.179619      2.053537  
1 1 1 -10 10 57 f 35.31115 2.208965  12.64034       1.560022  12.64034       1.560022  ?              ?         ?              ?         
1 1 1 -10 10 58 o 35.53115 2.246749  12.82534       1.596592  12.82534       1.596592  ?              ?         ?              ?         
1 1 1 -10 10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 11 1  o 505.3286 5.253543  2562.075       53.06938  2606.334       76.48935  2520.995       73.69168  8.370758       10.50709  
1 1 1 -10 11 2  o 142.9569 1.520979  204.4081       4.348261  206.0690       6.201747  202.8021       6.098299  1.141846       3.041958  
1 1 1 -10 11 3  o 258.9654 2.701825  671.2632       13.99298  675.3101       19.90191  667.3068       19.67810  1.542297       5.403650  
1 1 1 -10 11 4  o 191.8806 2.013410  368.2826       7.724877  363.9042       10.78576  372.8941       11.06900  -2.339828      4.026819  
1 1 1 -10 11 5  o 266.9545 2.782222  712.2055       14.83311  692.4822       20.33478  734.6343       21.68461  -7.876801      5.564443  
1 1 1 -10 11 6  o 316.4722 3.292776  1002.493       20.83151  986.2462       28.93157  1019.984       30.01891  -5.312805      6.585552  
1 1 1 -10 11 7  o 190.4367 1.999539  362.7797       7.614230  358.8328       10.64293  366.9180       10.89789  -2.120255      3.999078  
1 1 1 -10 11 8  f 166.2900 1.754920  275.9368       5.823911  266.5405       7.930249  286.9377       8.580656  -6.127289      3.509840  
1 1 1 -10 11 9  o 286.3936 2.982214  820.2264       17.06284  842.5038       24.83842  800.3192       23.47986  7.343933       5.964428  
1 1 1 -10 11 10 f 38.67288 0.5924588 14.56036       0.4521031 12.35714       0.5858521 17.80424       0.7108710 -7.042137      1.184918  
1 1 1 -10 11 11 o 211.2213 2.725673  441.5305       10.66867  460.2341       19.29270  433.2915       12.80463  6.282288       5.451346  
1 1 1 -10 11 12 o 208.6956 3.090012  432.9911       12.81561  409.5102       17.01724  463.7577       19.47925  -12.95329      6.180023  
1 1 1 -10 11 13 o 139.4377 2.582435  191.9034       6.650615  201.7748       12.12417  187.6546       7.954111  4.999390       5.164870  
1 1 1 -10 11 14 o 316.2964 4.661051  1004.052       29.47738  1017.201       42.28297  991.6176       41.11613  4.009460       9.322103  
1 1 1 -10 11 15 o 335.9490 4.263553  1139.702       27.31803  1156.768       34.00872  1108.661       45.86475  7.501984       8.527106  
1 1 1 -10 11 16 f 54.68186 0.6943476 29.80834       0.7578977 28.41355       1.033265  31.43270       1.115061  -2.760231      1.388695  
1 1 1 -10 11 17 o 412.0666 4.288146  1704.899       35.33933  1699.264       49.79079  1710.620       50.16605  -1.365265      8.576292  
1 1 1 -10 11 18 o 211.1113 2.212678  445.6248       9.332541  457.6325       13.57709  434.8698       12.84937  5.378159       4.425356  
1 1 1 -10 11 19 o 98.85907 1.090429  97.57819       2.152835  94.63918       2.950221  100.9257       3.148589  -3.177834      2.180859  
1 1 1 -10 11 20 o 53.28496 0.6925119 28.31197       0.7365629 29.70114       1.083866  27.11992       1.004024  2.421677       1.385024  
1 1 1 -10 11 21 o 94.46864 1.052284  87.43971       1.956869  79.66656       2.513106  99.41141       3.118819  -10.44530      2.104568  
1 1 1 -10 11 22 o 136.5804 1.461066  186.6366       3.990992  187.1789       5.663813  186.1017       5.624620  0.3938446      2.922132  
1 1 1 -10 11 23 o 166.0155 1.756938  274.4749       5.809440  290.1300       8.702821  261.8919       7.802324  8.490295       3.513875  
1 1 1 -10 11 24 f 183.2683 1.931723  335.7872       7.072829  344.8476       10.29242  327.6804       9.735760  4.673416       3.863446  
1 1 1 -10 11 25 o 104.4311 1.149338  108.6253       2.392205  114.5773       3.566378  103.7569       3.225434  5.176682       2.298675  
1 1 1 -10 11 26 o 172.8884 1.828260  298.7841       6.313991  307.4224       9.205246  291.1090       8.676827  4.707428       3.656520  
1 1 1 -10 11 27 o 247.2870 2.587864  612.6773       12.79609  605.7004       17.87353  620.0134       18.32784  -2.880539      5.175728  
1 1 1 -10 11 28 o 37.29433 0.6516305 13.67733       0.4814999 11.50251       0.6383591 16.54772       0.7333724 -6.763271      1.303261  
1 1 1 -10 11 29 o 75.23413 0.8863165 56.59252       1.333066  57.51522       1.918728  55.73154       1.853446  1.184593       1.772633  
1 1 1 -10 11 30 o 186.2740 1.966897  347.2100       7.320906  355.9318       10.62954  339.3393       10.09758  4.437103       3.933794  
1 1 1 -10 11 31 o 140.2047 1.503562  196.6730       4.214064  193.1414       5.850339  200.4813       6.075191  -2.611618      3.007124  
1 1 1 -10 11 32 o 58.46679 0.7577422 34.00076       0.8833477 31.68699       1.193919  36.79929       1.313046  -4.370071      1.515484  
1 1 1 -10 11 33 o 104.5190 1.156807  109.3281       2.417901  110.0947       3.449587  108.5877       3.390046  0.7192612      2.313613  
1 1 1 -10 11 34 o 84.58614 0.9769040 71.58069       1.652278  72.53570       2.367226  70.67343       2.307275  1.099197       1.953808  
1 1 1 -10 11 35 o 63.58345 0.7959749 40.44646       1.012148  39.88440       1.422128  41.02342       1.440843  -0.8952103     1.591950  
1 1 1 -10 11 36 o 44.50907 0.6801747 19.80744       0.6052009 18.98568       0.8454059 20.67124       0.8667603 -1.892998      1.360349  
1 1 1 -10 11 37 o 110.2253 1.215701  121.6999       2.679927  122.0687       3.808303  121.3381       3.771937  0.3296356      2.431402  
1 1 1 -10 11 38 o 54.43230 0.7383114 29.58461       0.8028722 28.15966       1.105105  31.17746       1.168403  -2.769962      1.476623  
1 1 1 -10 11 39 o 64.97527 0.8217426 41.20966       1.049443  47.89520       1.684867  36.97184       1.341433  8.392124       1.643485  
1 1 1 -10 11 40 o 58.75642 1.091749  34.42406       1.279860  32.17886       1.739019  37.07726       1.890437  -4.159664      2.183498  
1 1 1 -10 11 41 o 56.41901 0.7657566 31.78471       0.8630346 30.05029       1.187893  33.72366       1.255981  -3.252529      1.531513  
1 1 1 -10 11 42 o 45.50197 0.7117103 20.67214       0.6467618 19.26075       0.8916663 22.23912       0.9395278 -3.270622      1.423421  
1 1 1 -10 11 43 o 73.17001 0.8949234 53.13391       1.300623  57.68564       1.985117  49.71038       1.721614  5.433250       1.789847  
1 1 1 -10 11 44 o 38.76069 0.7046984 14.72988       0.5405321 17.44971       0.8401668 12.80903       0.7060598 5.979183       1.409397  
1 1 1 -10 11 45 o 49.86536 0.7454662 24.88739       0.7431421 23.88223       1.040022  25.93599       1.062254  -2.057907      1.490932  
1 1 1 -10 11 46 o 18.26335 0.9489124 3.362053       0.3444983 2.985173       0.4928551 3.722102       0.4817240 -2.018503      1.897825  
1 1 1 -10 11 47 o 41.67745 0.7360938 17.40526       0.6132213 17.13881       0.8780501 17.65897       0.8567924 -0.6256638     1.472188  
1 1 1 -10 11 48 o 88.23627 1.269434  79.23416       2.155399  82.09583       2.729530  74.49390       3.513021  4.416847       2.538868  
1 1 1 -10 11 49 o 73.71036 1.307916  54.54148       1.925938  52.34002       2.647531  57.01580       2.806817  -3.146309      2.615833  
1 1 1 -10 11 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 11 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 11 52 o 30.93180 1.573991  9.616800       0.9737275 9.616800       0.9737275 ?              ?         ?              ?         
1 1 1 -10 11 53 o 23.75687 1.250674  5.626423       0.5903656 4.824086       0.7948682 6.613561       0.8816683 -3.748924      2.501349  
1 1 1 -10 11 54 o 40.77440 0.9628747 16.83240       0.7370004 16.31950       1.276905  17.08861       0.9025024 -1.005348      1.925749  
1 1 1 -10 11 55 f 51.66877 0.9527543 26.80980       0.9838233 25.40626       1.377738  28.27016       1.405345  -2.766701      1.905509  
1 1 1 -10 11 56 o 18.11565 2.066590  2.752331       0.6182468 2.358597       0.6826589 4.548360       1.458004  -5.726673      4.133179  
1 1 1 -10 11 57 o 25.12814 2.664954  6.446668       1.339306  6.446668       1.339306  ?              ?         ?              ?         
1 1 1 -10 11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 11 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 12 1  o 221.0476 2.312662  488.0652       10.20621  473.2552       13.94830  505.1329       14.97372  -7.196350      4.625323  
1 1 1 -10 12 2  f 90.72526 1.010947  82.32416       1.834358  82.16061       2.588878  82.48906       2.599502  -0.1809540     2.021894  
1 1 1 -10 12 3  o 145.6173 1.548775  211.4284       4.497762  203.4345       6.092562  221.0034       6.667894  -6.027359      3.097549  
1 1 1 -10 12 4  f 213.5969 2.236058  456.2940       9.546539  448.0235       13.22914  465.2806       13.79001  -4.032364      4.472117  
1 1 1 -10 12 5  o 257.9973 2.691410  666.2809       13.88493  659.6732       19.41376  673.2005       19.86657  -2.614502      5.382820  
1 1 1 -10 12 6  o 325.4782 3.390167  1057.864       22.00447  1018.128       29.79543  1105.538       32.63630  -13.37152      6.780334  
1 1 1 -10 12 7  o 134.4729 1.746977  181.8305       4.474646  177.9206       7.547859  183.9493       5.556338  -2.261993      3.493955  
1 1 1 -10 12 8  f 204.7543 3.030702  418.6323       12.37913  403.2457       16.80155  436.9035       18.30888  -8.191284      6.061404  
1 1 1 -10 12 9  f 311.8781 4.595543  973.8599       28.60225  1011.768       42.14740  941.4984       38.94188  11.17343       9.191086  
1 1 1 -10 12 10 o 86.05919 1.348893  73.27481       2.301744  80.10756       3.546267  68.30090       3.025678  6.855064       2.697786  
1 1 1 -10 12 11 o 113.4119 1.467296  130.6473       3.269961  142.4955       4.369133  115.5594       4.930421  11.88086       2.934591  
1 1 1 -10 12 12 o 289.1644 3.014081  836.5379       17.41098  860.3767       25.36667  815.3038       23.94083  7.763123       6.028162  
1 1 1 -10 12 13 o 228.1259 2.387302  520.8120       10.88806  529.0645       15.65583  513.0814       15.15259  3.494125       4.774603  
1 1 1 -10 12 14 o 186.6791 1.963391  348.7876       7.330462  348.3011       10.35274  349.2769       10.38099  -0.2609406     3.926782  
1 1 1 -10 12 15 o 125.5221 1.348733  157.4498       3.382912  153.7459       4.667360  161.5491       4.910191  -3.105652      2.697467  
1 1 1 -10 12 16 o 59.88371 0.7357020 35.15194       0.8693805 40.22512       1.372806  31.75494       1.123351  7.070713       1.471404  
1 1 1 -10 12 17 o 228.7977 2.394012  523.8772       10.95011  532.8683       15.76742  515.5010       15.21873  3.785049       4.788024  
1 1 1 -10 12 18 o 129.4289 1.391181  167.5683       3.600830  169.0702       5.135977  166.1165       5.049803  1.140121       2.782363  
1 1 1 -10 12 19 o 136.2891 1.459116  185.7382       3.975345  188.9211       5.728263  182.7811       5.521415  2.250122       2.918233  
1 1 1 -10 12 20 o 174.1409 1.838508  303.3213       6.399980  298.1288       8.884027  308.9233       9.227625  -3.093872      3.677016  
1 1 1 -10 12 21 o 195.6784 2.056867  383.2966       8.049367  385.1823       11.44474  381.4507       11.32328  0.9512329      4.113734  
1 1 1 -10 12 22 o 164.4985 1.743344  270.8065       5.735386  271.9386       8.148198  269.6948       8.074426  0.6808014      3.486688  
1 1 1 -10 12 23 o 204.7986 2.150756  419.8538       8.807374  414.8953       12.29705  425.0763       12.62025  -2.478714      4.301513  
1 1 1 -10 12 24 o 149.3683 1.590930  223.1351       4.750242  219.0744       6.591733  227.5221       6.851508  -2.823425      3.181860  
1 1 1 -10 12 25 o 169.1118 1.789208  286.2528       6.051105  288.1769       8.618394  284.3821       8.497984  1.119583       3.578415  
1 1 1 -10 12 26 o 217.7747 2.284910  475.0138       9.950569  479.4581       14.21300  470.7411       13.93556  1.993851       4.569821  
1 1 1 -10 12 27 o 75.38295 0.8864084 56.59295       1.332225  59.90187       1.981512  53.86342       1.799687  4.003059       1.772817  
1 1 1 -10 12 28 o 179.4467 1.896180  322.2989       6.801648  328.5446       9.812815  316.5234       9.436201  3.338745       3.792359  
1 1 1 -10 12 29 o 172.1460 1.825778  295.6254       6.265301  310.6314       9.325207  283.2779       8.458946  7.919144       3.651556  
1 1 1 -10 12 30 o 197.9233 2.085793  392.6211       8.256537  392.7270       11.68151  392.5154       11.67151  0.5307007E-01  4.171586  
1 1 1 -10 12 31 o 171.5813 1.819495  294.2521       6.230533  305.9475       9.177078  284.2517       8.486046  6.295029       3.638989  
1 1 1 -10 12 32 o 18.48161 0.8104649 3.366295       0.2971844 4.000318       0.4510846 2.880044       0.3950350 3.029684       1.620930  
1 1 1 -10 12 33 o 115.0904 1.262713  132.6097       2.906193  131.5548       4.073550  133.7033       4.147398  -0.9307632     2.525425  
1 1 1 -10 12 34 o 67.48265 0.8285515 45.16719       1.111077  49.01274       1.691466  42.24858       1.473573  5.005898       1.657103  
1 1 1 -10 12 35 o 67.16264 0.8262753 44.91848       1.105998  47.67990       1.650206  42.66649       1.490233  3.727722       1.652551  
1 1 1 -10 12 36 o 26.97842 0.6858739 7.266466       0.3694613 7.546070       0.5416939 7.023262       0.5052067 0.9679127      1.371748  
1 1 1 -10 12 37 o 95.47202 1.078302  91.25597       2.058545  89.91586       2.876400  92.66298       2.947340  -1.435257      2.156604  
1 1 1 -10 12 38 o 85.87668 0.9935512 72.57590       1.684098  81.56564       2.653605  66.51313       2.179205  8.741318       1.987102  
1 1 1 -10 12 39 o 40.10082 0.6906487 16.08867       0.5529822 16.15191       0.8064673 16.03256       0.7596966 0.1471062      1.381297  
1 1 1 -10 12 40 o 79.61292 0.9444504 62.44339       1.487281  56.94592       1.936482  70.35026       2.322386  -8.398209      1.888901  
1 1 1 -10 12 41 o 99.38583 1.596154  98.94350       3.166294  95.10702       4.314644  103.4207       4.661021  -4.147995      3.192308  
1 1 1 -10 12 42 o 63.06355 0.8171453 39.74413       1.029021  41.16611       1.507012  38.50200       1.408488  2.106583       1.634291  
1 1 1 -10 12 43 f 128.4985 1.405017  165.4122       3.603685  171.6463       5.299890  160.0513       4.914648  4.471863       2.810035  
1 1 1 -10 12 44 o 18.95946 0.9128495 3.529673       0.3425828 4.162773       0.5320140 3.081192       0.4477740 2.845940       1.825699  
1 1 1 -10 12 45 o 27.44062 0.7568620 7.553371       0.4146111 7.279973       0.5977793 7.806812       0.5755495 -0.9615097     1.513724  
1 1 1 -10 12 46 o 52.48847 0.7664228 27.57407       0.8041588 26.42048       1.120160  28.80086       1.155152  -2.264748      1.532846  
1 1 1 -10 12 47 o 57.95776 0.9956380 33.82457       1.083864  33.30938       1.883787  34.07952       1.325184  -0.7239304     1.991276  
1 1 1 -10 12 48 o 99.67473 1.620327  100.2123       3.229817  98.55392       4.534085  101.9206       4.601974  -1.675743      3.240654  
1 1 1 -10 12 49 o 7.047375 1.940745  0.2401508      0.4174665 0.5834979      0.5729870 -0.1483168     0.6094745 2.069966       3.881490  
1 1 1 -10 12 50 o 34.39219 0.7730218 11.74764       0.5276678 12.70088       0.8081824 11.03935       0.6966479 2.403801       1.546044  
1 1 1 -10 12 51 o 27.50232 0.8316419 7.609755       0.4553569 7.286215       0.6681842 7.890308       0.6222144 -1.103806      1.663284  
1 1 1 -10 12 52 o 64.36089 0.8720492 41.42273       1.119470  43.33813       1.658101  39.81828       1.517557  2.715733       1.744098  
1 1 1 -10 12 53 o 6.401433 1.808504  0.2048353      0.3533411 0.5181536E-01  0.5361921 0.3222919      0.4697696 -0.5686302     3.617007  
1 1 1 -10 12 54 o 37.12451 0.8111757 13.77752       0.6009672 14.57865       0.8865935 13.09655       0.8174080 1.986198       1.622351  
1 1 1 -10 12 55 f 35.18803 0.9980589 12.19554       0.6780658 11.53439       0.8442045 13.39749       1.138251  -2.591946      1.996118  
1 1 1 -10 12 56 o 29.12229 1.584676  8.013009       0.7483270 7.627957       0.8320977 9.641689       1.711326  -3.185118      3.169351  
1 1 1 -10 12 57 o 20.62134 2.153840  4.314764       0.8883015 4.314764       0.8883015 ?              ?         ?              ?         
1 1 1 -10 12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 13 1  o 298.6851 4.031930  893.1369       23.51144  904.8894       37.68929  885.6497       30.08250  2.989166       8.063861  
1 1 1 -10 13 2  o 82.87695 1.165729  68.71166       1.810741  68.68827       3.173453  68.72295       2.204900  -0.2922821E-01 2.331458  
1 1 1 -10 13 3  o 312.3356 3.253646  977.6968       20.32459  977.4850       28.74663  977.9085       28.73999  -0.6793213E-01 6.507291  
1 1 1 -10 13 4  o 108.4888 1.527544  118.1563       3.271827  115.1619       5.013499  120.3776       4.318106  -2.411606      3.055088  
1 1 1 -10 13 5  o 246.4974 3.639706  607.4731       17.89788  585.4055       24.29660  633.6553       26.46507  -9.728806      7.279411  
1 1 1 -10 13 6  o 180.1476 2.675805  324.1320       9.618438  337.4886       14.19289  312.7875       13.08019  6.833664       5.351610  
1 1 1 -10 13 7  o 57.18809 0.9688672 32.31621       1.099692  29.66848       1.449863  35.90272       1.687431  -5.448914      1.937734  
1 1 1 -10 13 8  o 216.5517 2.751677  474.1107       11.44597  486.1474       14.41347  453.5612       18.83286  7.615906       5.503353  
1 1 1 -10 13 9  f 346.2608 3.603800  1201.852       24.94695  1183.893       34.69481  1221.077       35.89651  -5.335388      7.207600  
1 1 1 -10 13 10 o 272.8700 2.846082  745.9371       15.53214  747.2290       22.00335  744.6539       21.92838  0.4701538      5.692163  
1 1 1 -10 13 11 o 210.6825 2.209576  444.3560       9.310247  446.1209       13.20973  442.6140       13.12404  0.8307343      4.419152  
1 1 1 -10 13 12 o 284.4241 2.965044  810.3377       16.86210  821.0194       24.18308  800.2306       23.52382  3.638794       5.930089  
1 1 1 -10 13 13 o 56.53629 0.7088040 31.93906       0.8009912 32.75806       1.157252  31.18587       1.109784  1.390156       1.417608  
1 1 1 -10 13 14 o 115.2139 1.248713  132.7084       2.876014  130.3473       3.993756  135.2518       4.145058  -2.126961      2.497426  
1 1 1 -10 13 15 o 225.5698 2.361390  509.3846       10.65212  505.5053       14.93991  513.3959       15.19201  -1.744400      4.722780  
1 1 1 -10 13 16 o 221.7748 2.322791  492.4421       10.30271  492.9798       14.58787  491.9069       14.55266  0.2412262      4.645581  
1 1 1 -10 13 17 o 208.2571 2.187793  434.1882       9.112206  436.4474       12.94631  431.9701       12.82772  1.072769       4.375586  
1 1 1 -10 13 18 o 156.2450 1.658297  244.0837       5.178272  249.5247       7.495727  239.1164       7.162029  3.325897       3.316594  
1 1 1 -10 13 19 o 127.3437 1.378284  162.0075       3.505421  158.0527       4.809518  166.4891       5.119850  -3.308563      2.756568  
1 1 1 -10 13 20 o 148.6322 1.583538  220.6338       4.699826  228.3373       6.883442  213.9064       6.432559  4.847839       3.167077  
1 1 1 -10 13 21 o 101.6691 1.122816  101.8589       2.256148  113.2182       3.532445  94.03252       2.932111  9.428650       2.245632  
1 1 1 -10 13 22 o 132.3847 1.422165  175.2863       3.764153  172.6144       5.240867  178.1331       5.409785  -2.081802      2.844329  
1 1 1 -10 13 23 o 206.3410 2.167541  426.3159       8.943707  422.3095       12.51916  430.4919       12.78154  -1.976486      4.335082  
1 1 1 -10 13 24 f 240.7377 2.519942  580.7582       12.13290  580.7413       17.16109  580.7750       17.15593  -0.7125854E-02 5.039883  
1 1 1 -10 13 25 o 155.6625 1.656770  242.4128       5.155573  238.4047       7.162162  246.7231       7.427224  -2.666382      3.313541  
1 1 1 -10 13 26 o 46.95945 0.6811097 21.90996       0.6375353 20.16725       0.8606155 24.02939       0.9490852 -4.111343      1.362219  
1 1 1 -10 13 27 o 131.3257 1.414566  172.3062       3.709951  178.1406       5.425919  167.1839       5.084074  4.163956       2.829132  
1 1 1 -10 13 28 o 113.3064 1.239637  127.7467       2.796221  135.8080       4.204090  121.3514       3.744586  6.369797       2.479273  
1 1 1 -10 13 29 o 82.16035 0.9494315 67.40153       1.557734  69.89604       2.280382  65.21915       2.132940  2.843430       1.898863  
1 1 1 -10 13 30 o 118.6567 1.292556  139.5002       3.041728  151.7629       4.679169  130.5262       4.002877  8.929100       2.585112  
1 1 1 -10 13 31 o 29.61884 0.6486497 8.709232       0.3826025 9.506073       0.5744477 8.073929       0.5129268 2.416616       1.297299  
1 1 1 -10 13 32 o 92.29662 1.043618  84.33365       1.909955  92.17969       2.942139  78.61872       2.510978  7.333099       2.087236  
1 1 1 -10 13 33 o 83.92783 0.9675252 70.11478       1.617039  74.50346       2.426426  66.60836       2.168866  4.695251       1.935050  
1 1 1 -10 13 34 f 81.33176 0.9459650 65.82081       1.531766  70.13008       2.302276  62.39822       2.051788  4.744919       1.891930  
1 1 1 -10 13 35 o 77.28554 0.9119737 59.58631       1.405998  62.50686       2.080848  57.13277       1.907238  3.470116       1.823947  
1 1 1 -10 13 36 f 36.09750 0.6731638 12.96574       0.4834977 11.23827       0.6596662 14.97097       0.7107228 -5.168743      1.346328  
1 1 1 -10 13 37 o 96.32523 1.088096  92.91935       2.095814  93.73903       2.998740  92.13667       2.930301  0.8281250      2.176193  
1 1 1 -10 13 38 o 25.63993 0.7248527 6.583989       0.3711018 6.488740       0.5382023 6.670318       0.5123835 -0.3550797     1.449705  
1 1 1 -10 13 39 o 42.42322 0.6998153 17.57584       0.5861323 20.95684       0.9226940 15.28850       0.7589296 6.674332       1.399631  
1 1 1 -10 13 40 o 83.19582 0.9781259 69.29276       1.626630  70.46402       2.346746  68.20967       2.256700  1.349350       1.956252  
1 1 1 -10 13 41 o 50.75485 0.7405193 25.71565       0.7505612 23.97845       1.032218  27.66462       1.093323  -3.628170      1.481039  
1 1 1 -10 13 42 o 74.79842 0.9099185 55.90597       1.358351  58.07321       2.000028  54.05035       1.850653  2.679207       1.819837  
1 1 1 -10 13 43 o 19.05308 0.9092191 3.474176       0.3385569 4.641009       0.5483966 2.755581       0.4303603 4.938953       1.818438  
1 1 1 -10 13 44 o 48.06785 0.9263455 21.71984       0.7928041 26.34109       1.585341  20.17872       0.9155029 6.354141       1.852691  
1 1 1 -10 13 45 o 31.04692 1.070276  9.738816       0.6581888 9.100290       0.9822024 10.25925       0.8867396 -1.876923      2.140551  
1 1 1 -10 13 46 f 22.42795 1.335501  5.383763       0.5585294 3.371976       0.8260409 7.078167       0.7580867 -8.271564      2.671003  
1 1 1 -10 13 47 o 57.50076 0.8107669 33.13825       0.9322085 32.99491       1.330082  33.27664       1.306907  -0.2471886     1.621534  
1 1 1 -10 13 48 o 23.89460 0.8564939 5.706322       0.4057834 5.861444       0.6193501 5.589654       0.5371225 0.5596962      1.712988  
1 1 1 -10 13 49 o 34.82343 0.7661518 12.19511       0.5314575 11.58206       0.7748610 12.73968       0.7303052 -1.666740      1.532304  
1 1 1 -10 13 50 o 63.78323 0.8574960 40.80713       1.093749  40.05957       1.545935  41.55634       1.547656  -1.173119      1.714992  
1 1 1 -10 13 51 o 58.48391 0.8307580 34.29132       0.9710073 34.60079       1.403043  34.00684       1.345206  0.5006371      1.661516  
1 1 1 -10 13 52 o 19.61957 1.019828  3.841758       0.3968782 4.068954       0.6080371 3.673113       0.5238633 0.9942493      2.039656  
1 1 1 -10 13 53 o 15.47878 1.273749  2.389923       0.3919761 2.654929       0.5953089 2.187096       0.5208073 1.494461       2.547498  
1 1 1 -10 13 54 o 19.28664 1.175433  3.753340       0.4523061 4.036777       0.6379550 3.466857       0.6413733 1.478235       2.350865  
1 1 1 -10 13 55 o 6.491526 1.872110  -0.8976555E-01 0.4419621 0.5541859      0.5985586 -0.8617176     0.6553530 3.069657       3.744220  
1 1 1 -10 13 56 o 44.27847 1.147204  19.76762       1.015845  19.48891       1.437213  20.04588       1.436033  -0.6292381     2.294408  
1 1 1 -10 13 57 o 24.40111 2.776248  6.098115       1.354871  6.098115       1.354871  ?              ?         ?              ?         
1 1 1 -10 13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 14 1  o 206.5673 3.058280  426.9016       12.61748  415.2851       17.30999  440.0705       18.43027  -5.972412      6.116559  
1 1 1 -10 14 2  o 194.6553 4.081068  379.6123       15.88803  379.6123       15.88803  ?              ?         ?              ?         
1 1 1 -10 14 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 14 4  o 143.1095 3.077967  205.0213       8.809730  205.0213       8.809730  ?              ?         ?              ?         
1 1 1 -10 14 5  o 111.2243 2.116374  124.2800       4.455813  125.2331       5.489912  122.4401       7.627691  1.290939       4.232748  
1 1 1 -10 14 6  o 206.4834 2.631016  431.9445       10.46295  408.0965       17.04910  446.3525       13.25190  -9.341675      5.262031  
1 1 1 -10 14 7  o 265.7007 2.772296  707.0820       14.73027  713.0632       21.02594  701.3166       20.64284  2.202118       5.544591  
1 1 1 -10 14 8  o 121.7966 1.314903  147.8905       3.193810  142.0925       4.324668  154.8463       4.736883  -5.231461      2.629806  
1 1 1 -10 14 9  o 259.3994 2.707258  673.8792       14.04365  679.5098       20.04081  668.4465       19.68540  2.125000       5.414516  
1 1 1 -10 14 10 o 72.67670 0.9342928 51.89598       1.315460  49.28529       1.646961  56.49621       2.186227  -4.957047      1.868586  
1 1 1 -10 14 11 o 320.6040 3.339072  1028.773       21.38105  1060.257       31.23007  1000.996       29.33369  9.192444       6.678144  
1 1 1 -10 14 12 f 276.3342 2.883327  765.0444       15.93521  765.7510       22.56181  764.3409       22.50985  0.2539368      5.766654  
1 1 1 -10 14 13 o 240.6834 2.517095  578.5564       12.08823  602.3959       17.83901  558.3157       16.43753  9.128067       5.034190  
1 1 1 -10 14 14 o 154.6435 1.644693  238.6354       5.075616  248.9549       7.483313  229.8436       6.907255  6.171005       3.289386  
1 1 1 -10 14 15 o 204.6057 2.149939  417.3900       8.767315  439.0643       13.06680  399.6429       11.82387  9.609741       4.299879  
1 1 1 -10 14 16 o 169.8524 1.796557  287.7924       6.086244  300.9520       9.016389  276.7769       8.249187  7.103958       3.593114  
1 1 1 -10 14 17 o 227.1917 2.379725  516.9315       10.81307  516.6414       15.28355  517.2222       15.30045  -0.1274719     4.759450  
1 1 1 -10 14 18 o 138.9499 1.490161  192.4397       4.127361  184.6020       5.571772  201.9702       6.144041  -6.241501      2.980322  
1 1 1 -10 14 19 o 69.02636 0.8251156 47.64698       1.138971  47.07162       1.596405  48.24350       1.625485  -0.8486176     1.650231  
1 1 1 -10 14 20 o 108.1901 1.186777  117.0255       2.566601  119.3104       3.702586  114.9121       3.560996  2.030853       2.373555  
1 1 1 -10 14 21 o 151.0230 1.608559  228.1028       4.855734  223.8000       6.730014  232.7747       7.012803  -2.966217      3.217118  
1 1 1 -10 14 22 o 150.3707 1.601385  225.8515       4.807939  233.7753       7.048559  218.9567       6.575018  4.918472       3.202770  
1 1 1 -10 14 23 o 139.6922 1.495892  195.2752       4.178946  196.7316       5.955807  193.8629       5.865084  1.025085       2.991784  
1 1 1 -10 14 24 o 157.5127 1.674757  247.9891       5.269071  241.1644       7.233842  255.7022       7.690267  -4.604050      3.349515  
1 1 1 -10 14 25 o 110.5952 1.215376  121.7312       2.676850  115.6750       3.591516  129.3001       4.015072  -6.151894      2.430753  
1 1 1 -10 14 26 o 122.6421 1.330624  150.4083       3.261527  153.7562       4.719572  147.3478       4.512391  2.608078       2.661248  
1 1 1 -10 14 27 o 77.57303 0.9103048 59.17706       1.395472  53.97148       1.811594  66.77303       2.188355  -8.244896      1.820610  
1 1 1 -10 14 28 o 270.6913 2.836181  736.3130       15.35416  739.3391       21.81149  733.3403       21.61793  1.096191       5.672361  
1 1 1 -10 14 29 o 129.2777 1.396850  166.2720       3.593059  157.4331       4.797647  177.5618       5.422182  -7.764381      2.793699  
1 1 1 -10 14 30 o 125.7937 1.362787  158.4473       3.428208  159.6298       4.892109  157.3062       4.805488  0.9203568      2.725574  
1 1 1 -10 14 31 o 63.69669 0.7985637 40.13398       1.010414  36.77943       1.337069  44.60019       1.542789  -6.133911      1.597127  
1 1 1 -10 14 32 o 73.62215 0.8834086 53.93036       1.295644  50.91578       1.740751  57.67471       1.940041  -4.584343      1.766817  
1 1 1 -10 14 33 o 107.8832 1.192657  116.0042       2.564077  110.3951       3.453378  122.8954       3.827759  -5.776886      2.385315  
1 1 1 -10 14 34 o 30.62629 0.6776391 9.378151       0.4104346 7.594711       0.5654316 11.36440       0.5967154 -6.153414      1.355278  
1 1 1 -10 14 35 o 29.62560 0.6746725 8.643421       0.3965573 10.03329       0.6079148 7.613911       0.5232037 4.080641       1.349345  
1 1 1 -10 14 36 o 72.43756 0.8777264 52.03488       1.264206  48.15149       1.680635  57.09596       1.918625  -6.163605      1.755453  
1 1 1 -10 14 37 o 31.22293 0.6854560 9.753793       0.4273239 9.786922       0.6230874 9.724375       0.5871657 0.9885025E-01  1.370912  
1 1 1 -10 14 38 o 101.1279 1.138191  102.1680       2.297126  97.98943       3.126682  107.0686       3.386051  -4.472427      2.276382  
1 1 1 -10 14 39 o 18.01414 0.9242662 3.308184       0.3270590 2.792183       0.4837871 3.742513       0.4438516 -2.640038      1.848532  
1 1 1 -10 14 40 o 61.59219 0.8070456 37.92485       0.9933462 36.40473       1.372102  39.59904       1.439961  -2.589264      1.614091  
1 1 1 -10 14 41 o 46.88806 0.7919233 22.19800       0.7329354 20.72641       1.109039  23.33911       0.9766004 -2.793747      1.583847  
1 1 1 -10 14 42 o 25.98955 1.056601  6.563242       0.5389311 7.887775       0.8711243 5.741941       0.6859619 4.112003       2.113201  
1 1 1 -10 14 43 o 27.84165 1.057131  7.823336       0.5837348 6.704877       0.8293865 8.921208       0.8217182 -3.980976      2.114261  
1 1 1 -10 14 44 o 25.26383 0.9515029 6.536960       0.4667687 7.093202       0.6083509 5.740797       0.7278187 2.688025       1.903006  
1 1 1 -10 14 45 o 19.82911 0.9426180 4.001069       0.3679680 3.498327       0.5483298 4.412962       0.4963194 -2.311481      1.885236  
1 1 1 -10 14 46 o 40.88603 0.7391595 16.76330       0.6036629 15.83796       0.8554922 17.68096       0.8519353 -2.254131      1.478319  
1 1 1 -10 14 47 o 50.24028 0.7707767 25.18334       0.7717382 26.56847       1.151145  24.05256       1.040091  2.492985       1.541553  
1 1 1 -10 14 48 o 35.82956 0.7660444 12.89239       0.5478215 12.24223       0.7861847 13.50602       0.7637746 -1.765923      1.532089  
1 1 1 -10 14 49 o 27.90798 0.8317873 7.847799       0.4620050 7.150836       0.6649118 8.498402       0.6424164 -2.416950      1.663575  
1 1 1 -10 14 50 o 54.24573 0.8105252 29.51227       0.8790489 28.59394       1.242192  30.43349       1.244136  -1.695347      1.621050  
1 1 1 -10 14 51 o 19.49903 1.092216  3.932391       0.4136474 3.043316       0.6096485 4.690862       0.5630927 -4.232887      2.184431  
1 1 1 -10 14 52 o 46.77354 0.7997996 21.92652       0.7472659 20.43990       1.040772  23.50834       1.073579  -3.275486      1.599599  
1 1 1 -10 14 53 o 26.19693 0.9303678 6.945185       0.4820500 6.490870       0.7238525 7.307235       0.6461831 -1.571114      1.860736  
1 1 1 -10 14 54 o 9.272691 1.937933  0.8612814      0.3916381 1.177819       0.5832327 0.6013466      0.5285202 2.547661       3.875866  
1 1 1 -10 14 55 f 51.48880 1.071247  26.58891       1.082132  26.16716       1.395433  27.22517       1.713942  -0.9553909     2.142495  
1 1 1 -10 14 56 o 10.40706 2.725872  0.9327259      0.6694206 1.012577       0.7530752 0.6320224      1.461393  -0.7395506     5.451745  
1 1 1 -10 14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 14 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 15 1  o 148.1279 1.923432  219.6782       5.383808  219.8070       6.609286  219.4243       9.281659  0.1726532      3.846864  
1 1 1 -10 15 2  o 412.8162 4.298839  1711.697       35.49194  1706.682       50.01337  1716.785       50.37494  -1.210480      8.597677  
1 1 1 -10 15 3  f 201.5258 2.117384  405.3995       8.513702  422.5975       12.57254  390.8344       11.57020  7.862747       4.234769  
1 1 1 -10 15 4  o 189.3249 1.992814  358.6956       7.544338  354.8445       10.54629  362.7318       10.79673  -2.078812      3.985627  
1 1 1 -10 15 5  o 153.6884 1.631856  235.9946       5.009784  243.2053       7.305744  229.5943       6.882954  4.422333       3.263712  
1 1 1 -10 15 6  o 178.8200 2.310286  321.3108       7.824907  323.7532       9.647021  316.6133       13.37871  2.068253       4.620573  
1 1 1 -10 15 7  o 273.1271 4.044493  747.8136       22.06443  769.7789       32.19979  728.3703       30.29488  7.514679       8.088986  
1 1 1 -10 15 8  o 57.48931 1.071468  33.05797       1.231888  32.92562       1.731489  33.19362       1.753016  -0.2328758     2.142936  
1 1 1 -10 15 9  o 138.3781 2.106122  190.2720       5.793849  204.2481       8.791609  179.5419       7.703307  8.906937       4.212245  
1 1 1 -10 15 10 o 347.0542 4.460932  1200.818       28.80686  1236.885       51.53334  1184.425       34.74174  6.901917       8.921865  
1 1 1 -10 15 11 o 171.2380 2.221865  293.6360       7.166965  293.4662       12.43488  293.7205       8.770193  -0.1465149     4.443730  
1 1 1 -10 15 12 o 198.8967 2.090533  395.2379       8.301560  409.1205       12.17726  383.1837       11.34702  6.504333       4.181067  
1 1 1 -10 15 13 o 85.38936 0.9706633 72.68012       1.653626  76.40533       2.444773  69.53849       2.245123  4.019096       1.941327  
1 1 1 -10 15 14 f 121.4409 1.313951  146.2750       3.169363  137.4132       4.196328  158.0428       4.835672  -8.485687      2.627903  
1 1 1 -10 15 15 o 96.35181 1.074970  92.59040       2.066586  89.10356       2.808484  96.70772       3.051847  -3.943451      2.149940  
1 1 1 -10 15 16 o 49.33488 0.6840696 24.31412       0.6745390 25.15881       0.9754033 23.53989       0.9338380 1.640446       1.368139  
1 1 1 -10 15 17 o 109.3892 1.198094  118.5999       2.601845  128.5873       3.981156  111.1538       3.437538  7.961632       2.396188  
1 1 1 -10 15 18 o 123.0001 1.334189  151.1116       3.277167  146.8832       4.489867  155.9330       4.794328  -3.674309      2.668377  
1 1 1 -10 15 19 o 209.4055 2.198788  438.4468       9.195573  426.1106       12.60678  452.4727       13.44241  -6.273529      4.397577  
1 1 1 -10 15 20 o 126.2917 1.364187  159.4895       3.443894  156.4711       4.777697  162.7540       4.968719  -2.484322      2.728375  
1 1 1 -10 15 21 o 166.9311 1.769480  278.8294       5.905003  274.1742       8.205349  283.8302       8.504556  -2.885315      3.538960  
1 1 1 -10 15 22 o 60.05701 0.7631877 35.88372       0.9133445 38.28239       1.364599  33.93713       1.229299  3.616123       1.526375  
1 1 1 -10 15 23 o 48.10992 0.6861404 23.14734       0.6601492 22.74844       0.9279688 23.55606       0.9393185 -0.8392296     1.372281  
1 1 1 -10 15 24 o 59.48507 0.7644623 35.35921       0.9089089 34.44087       1.258366  36.36092       1.314236  -1.613186      1.528925  
1 1 1 -10 15 25 o 123.3625 1.337672  151.9915       3.294397  157.6129       4.836766  147.1268       4.499460  4.241844       2.675344  
1 1 1 -10 15 26 o 140.4802 1.506834  197.2910       4.227750  203.4922       6.176568  191.8246       5.799149  4.140717       3.013667  
1 1 1 -10 15 27 o 27.57556 0.6623347 7.619212       0.3645146 7.080154       0.5171897 8.151286       0.5138297 -1.942228      1.324669  
1 1 1 -10 15 28 o 20.93234 0.7548962 4.440585       0.3114757 3.657029       0.4477103 5.175577       0.4336143 -3.627550      1.509792  
1 1 1 -10 15 29 f 57.42757 0.7511325 32.99677       0.8626614 32.77940       1.224148  33.21120       1.215869  -0.3761444     1.502265  
1 1 1 -10 15 30 o 58.21805 0.7589487 33.48034       0.8762006 37.19213       1.350580  30.78268       1.151389  5.499706       1.517897  
1 1 1 -10 15 31 o 112.8239 1.241376  127.4733       2.800836  128.2496       3.995242  126.7230       3.927584  0.6736298      2.482753  
1 1 1 -10 15 32 o 83.68379 0.9690366 69.32269       1.608122  75.96405       2.476546  64.48090       2.114565  6.846901       1.938073  
1 1 1 -10 15 33 o 114.2222 1.254972  130.6682       2.865992  128.5302       3.992128  132.9421       4.117006  -1.924271      2.509945  
1 1 1 -10 15 34 o 38.45296 0.6666960 14.65475       0.5092096 15.96362       0.7773259 13.67086       0.6739493 2.978020       1.333392  
1 1 1 -10 15 35 o 20.48805 0.7810789 4.279002       0.3130237 3.312050       0.4486835 5.195898       0.4369158 -4.597887      1.562158  
1 1 1 -10 15 36 o 68.18925 0.8554733 46.54984       1.166655  46.53158       1.655315  46.56787       1.644538  -0.2709961E-01 1.710947  
1 1 1 -10 15 37 o 101.8163 1.143912  103.7646       2.327571  100.9548       3.215368  106.8579       3.373704  -2.888527      2.287823  
1 1 1 -10 15 38 o 47.76052 0.7257777 22.82489       0.6927933 21.66739       0.9702162 24.02908       0.9895862 -2.471504      1.451555  
1 1 1 -10 15 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 15 40 o 47.22483 1.016104  22.31296       0.9556425 22.74903       1.424432  21.95602       1.288703  0.8292618      2.032208  
1 1 1 -10 15 41 o 66.03244 1.021506  44.19900       1.302068  45.69139       1.654649  41.77194       2.110109  3.006187       2.043012  
1 1 1 -10 15 42 o 24.63305 0.8094220 6.170898       0.3927186 5.239808       0.5762464 6.978402       0.5366420 -3.531887      1.618844  
1 1 1 -10 15 43 o 95.50197 1.096455  91.25697       2.089173  95.21771       3.086421  87.90763       2.838232  3.799149       2.192909  
1 1 1 -10 15 44 o 38.83866 0.7249346 15.09729       0.5618204 15.26937       0.8249845 14.94845       0.7672243 0.4086494      1.449869  
1 1 1 -10 15 45 o 26.62320 0.7921521 7.072390       0.4191185 7.361074       0.6344686 6.848887       0.5582634 0.9548645      1.584304  
1 1 1 -10 15 46 o 22.52339 0.8656269 5.093906       0.3866549 5.029652       0.5840698 5.144033       0.5158820 -0.2613964     1.731254  
1 1 1 -10 15 47 o 40.03552 0.7465764 15.92258       0.5942143 17.31836       0.9024482 14.85427       0.7895201 3.065964       1.493153  
1 1 1 -10 15 48 o 41.92531 0.7613825 17.61857       0.6376354 17.60760       0.9248526 17.62851       0.8803014 -0.2972794E-01 1.522765  
1 1 1 -10 15 49 o 45.10637 0.7739761 20.38484       0.6968496 20.57771       1.020143  20.21610       0.9541520 0.3933411      1.547952  
1 1 1 -10 15 50 o 23.14800 0.9835360 5.611498       0.4348909 3.909647       0.6381952 7.086869       0.5942146 -6.869614      1.967072  
1 1 1 -10 15 51 f 48.37489 0.8030107 23.49288       0.7756379 21.84772       1.092749  25.16339       1.101135  -3.425877      1.606021  
1 1 1 -10 15 52 o 34.50523 0.8060055 11.84393       0.5533174 12.93506       0.8364909 10.99510       0.7377884 2.796841       1.612011  
1 1 1 -10 15 53 o 73.85439 0.9523889 54.56193       1.403152  51.24945       1.903096  58.50748       2.077004  -4.881363      1.904778  
1 1 1 -10 15 54 o 40.15628 0.8196279 16.19783       0.6568375 16.03939       0.9584677 16.33813       0.9019256 -0.3815231     1.639256  
1 1 1 -10 15 55 o 35.89727 1.518529  12.75911       0.8252487 12.59567       0.9054995 13.56052       2.005079  -0.9948921     3.037058  
1 1 1 -10 15 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 15 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 16 1  o 160.9165 1.706763  258.8518       5.487602  265.4960       7.973468  252.8725       7.563993  3.915680       3.413527  
1 1 1 -10 16 2  o 198.9110 2.090177  396.1148       8.315075  397.1735       11.79513  395.0689       11.72378  0.5276184      4.180355  
1 1 1 -10 16 3  o 200.6240 2.108301  402.8262       8.456815  397.2986       11.78267  408.6991       12.14504  -2.834030      4.216603  
1 1 1 -10 16 4  o 125.6036 1.353776  157.5112       3.395021  152.5373       4.641740  163.2330       4.978499  -4.253448      2.707553  
1 1 1 -10 16 5  o 116.8185 1.266562  136.5240       2.959155  136.3862       4.180738  136.6623       4.189029  -0.1181107     2.533125  
1 1 1 -10 16 6  o 246.0474 2.573817  605.0358       12.63982  627.9009       18.59847  585.4104       17.23060  8.601227       5.147635  
1 1 1 -10 16 7  o 56.86504 0.7297345 32.32515       0.8296994 31.66888       1.156912  33.02014       1.190556  -1.187897      1.459469  
1 1 1 -10 16 8  o 224.4124 2.719284  504.0955       12.19383  516.5271       17.69965  492.8647       16.82308  5.249054       5.438568  
1 1 1 -10 16 9  o 235.5997 2.673742  552.9374       12.36255  539.9632       15.92294  572.6268       19.61556  -6.835480      5.347485  
1 1 1 -10 16 10 o 169.6413 1.802014  286.4631       6.083744  273.1590       8.136834  303.3288       9.161440  -8.873779      3.604028  
1 1 1 -10 16 11 o 149.5770 1.982455  218.9100       5.398153  212.0938       6.373482  236.2099       10.15378  -7.985992      3.964910  
1 1 1 -10 16 12 o 60.47803 1.112609  36.49851       1.343539  35.08709       1.836678  38.12307       1.970473  -2.508423      2.225219  
1 1 1 -10 16 13 o 185.1994 2.778875  343.4079       10.28193  336.0233       14.15912  351.6463       14.95519  -4.194214      5.557749  
1 1 1 -10 16 14 f 44.07894 0.9969641 19.42791       0.8786937 20.01768       1.255650  18.86194       1.230066  1.310707       1.993928  
1 1 1 -10 16 15 o 325.8568 4.827400  1069.114       31.44607  1052.002       43.68043  1087.525       45.30708  -5.362457      9.654800  
1 1 1 -10 16 16 o 240.9853 3.085526  584.9858       14.11494  574.7524       23.99967  590.3973       17.45244  -3.476944      6.171051  
1 1 1 -10 16 17 o 182.1479 1.923087  332.1191       7.004252  335.9109       10.02910  328.5087       9.786374  2.026260       3.846174  
1 1 1 -10 16 18 o 357.9343 3.734650  1286.882       26.72048  1264.356       37.06104  1311.267       38.56046  -6.480560      7.469300  
1 1 1 -10 16 19 o 162.0366 1.721920  262.8664       5.580252  263.5987       7.907711  262.1401       7.875722  0.4493256      3.443841  
1 1 1 -10 16 20 o 154.3258 1.643993  238.2914       5.071516  234.0634       7.036062  242.8632       7.316572  -2.843979      3.287987  
1 1 1 -10 16 21 o 67.13799 0.8229765 44.97917       1.103351  43.19559       1.509895  47.02294       1.616279  -2.848953      1.645953  
1 1 1 -10 16 22 o 89.25890 1.015002  79.66931       1.811202  78.35629       2.517966  81.07706       2.607217  -1.522560      2.030005  
1 1 1 -10 16 23 o 306.2406 3.203164  942.8665       19.61612  934.5469       27.47251  951.5200       28.01830  -2.737915      6.406329  
1 1 1 -10 16 24 o 83.37039 0.9634940 68.58626       1.590664  63.14584       2.079759  76.25423       2.469090  -7.853462      1.926988  
1 1 1 -10 16 25 o 121.8020 1.323601  148.2615       3.219787  143.8068       4.414268  153.3260       4.706722  -3.898628      2.647202  
1 1 1 -10 16 26 o 45.87926 0.6776948 20.88997       0.6193532 19.07807       0.8328561 23.13169       0.9263856 -4.416065      1.355390  
1 1 1 -10 16 27 o 42.23022 0.6644853 17.61291       0.5572923 19.84855       0.8517526 15.93944       0.7369205 4.626087       1.328971  
1 1 1 -10 16 28 o 27.14113 0.6614729 7.375938       0.3586830 7.014876       0.5088109 7.732613       0.5057118 -1.322296      1.322946  
1 1 1 -10 16 29 o 76.21913 0.9013381 57.60080       1.365476  53.56289       1.812294  62.90321       2.076761  -6.119133      1.802676  
1 1 1 -10 16 30 o 84.51907 0.9750711 71.43504       1.646791  73.15652       2.389597  69.87797       2.272629  1.935196       1.950142  
1 1 1 -10 16 31 o 26.20361 0.6787530 6.782065       0.3530196 7.597442       0.5415499 6.179560       0.4655215 2.703253       1.357506  
1 1 1 -10 16 32 o 54.11412 0.7375046 29.29955       0.7981181 28.78207       1.121491  29.83057       1.136069  -0.9682884     1.475009  
1 1 1 -10 16 33 o 104.7660 1.167360  109.6353       2.440005  114.4846       3.605432  105.5376       3.314298  4.253380       2.334719  
1 1 1 -10 16 34 o 67.86897 0.8409917 46.06053       1.140890  44.60100       1.581334  47.64500       1.647631  -2.239624      1.681983  
1 1 1 -10 16 35 o 134.5319 2.062954  181.7080       5.537864  188.9116       8.169188  175.5829       7.532897  4.881607       4.125908  
1 1 1 -10 16 36 o 45.90523 0.9812650 21.12144       0.8998550 20.77666       1.298180  21.44031       1.248451  -0.7257652     1.962530  
1 1 1 -10 16 37 f 134.2701 2.069064  181.7718       5.556065  180.3493       7.816737  183.2243       7.898830  -1.058929      4.138129  
1 1 1 -10 16 38 o 69.62563 2.529926  48.78481       3.522954  48.78481       3.522954  ?              ?         ?              ?         
1 1 1 -10 16 39 o 26.18904 0.7576936 6.805666       0.3943418 7.402143       0.6002104 6.352641       0.5230793 1.999140       1.515387  
1 1 1 -10 16 40 o 48.52222 0.7357684 23.48441       0.7115405 24.60983       1.060128  22.56179       0.9598661 2.104153       1.471537  
1 1 1 -10 16 41 o 38.02320 0.7125928 14.44157       0.5394167 14.83516       0.8069008 14.12356       0.7253068 0.9302826      1.425186  
1 1 1 -10 16 42 o 109.5300 1.228019  120.3402       2.686881  123.6116       3.915415  117.4284       3.693900  2.794350       2.456038  
1 1 1 -10 16 43 o 95.04053 1.095053  90.50858       2.078578  93.37927       3.037283  87.97978       2.850690  2.818466       2.190106  
1 1 1 -10 16 44 o 49.61488 0.7638043 24.47617       0.7532247 26.29676       1.144292  23.08422       1.000559  3.224529       1.527609  
1 1 1 -10 16 45 o 68.38730 0.8780338 46.90184       1.200839  46.34622       1.700635  47.45435       1.695861  -0.8107224     1.756068  
1 1 1 -10 16 46 o 50.00299 0.7698721 25.00320       0.7678252 25.79176       1.135292  24.33842       1.042385  1.443565       1.539744  
1 1 1 -10 16 47 o 10.03048 1.656417  1.088319       0.3440397 0.5893076      0.5194834 1.478186       0.4591710 -4.168148      3.312834  
1 1 1 -10 16 48 o 64.80380 0.8660104 42.12416       1.121811  42.18956       1.613746  42.06301       1.560551  0.9088135E-01  1.732021  
1 1 1 -10 16 49 o 56.15446 0.8219627 31.50963       0.9213204 29.21675       1.260212  34.14222       1.350340  -4.373562      1.643925  
1 1 1 -10 16 50 o 17.40525 1.130065  3.078707       0.3890719 2.783714       0.5765388 3.325392       0.5272238 -1.565809      2.260130  
1 1 1 -10 16 51 o 56.56732 0.8317439 31.80948       0.9339538 34.49944       1.429859  29.80785       1.233425  4.117687       1.663488  
1 1 1 -10 16 52 o 52.94861 0.8245047 28.16335       0.8724012 27.17920       1.243321  29.11780       1.224419  -1.833660      1.649009  
1 1 1 -10 16 53 o 12.51530 1.616101  1.566410       0.3909630 1.920053       0.6228920 1.336528       0.5022073 2.480209       3.232203  
1 1 1 -10 16 54 f 27.84091 0.9880650 7.815116       0.5451069 6.501340       0.7592259 9.212903       0.7831246 -4.864536      1.976130  
1 1 1 -10 16 55 o 29.20602 1.568920  8.597686       0.9164380 8.597686       0.9164380 ?              ?         ?              ?         
1 1 1 -10 16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 17 1  o 161.0219 1.708588  259.5093       5.502251  260.5862       7.816267  258.4515       7.746914  0.6615753      3.417176  
1 1 1 -10 17 2  o 163.8888 1.737918  268.8127       5.695831  271.0072       8.129940  266.6972       7.982332  1.312119       3.475837  
1 1 1 -10 17 3  o 90.30997 1.015911  80.68312       1.819865  88.45332       2.799216  74.99437       2.395128  7.447029       2.031822  
1 1 1 -10 17 4  o 73.35773 0.8636112 53.81739       1.266920  54.40360       1.807672  53.25145       1.776134  0.7849960      1.727222  
1 1 1 -10 17 5  o 40.19936 0.6371593 16.07870       0.5109378 17.46302       0.7553725 14.91118       0.6937096 3.173553       1.274319  
1 1 1 -10 17 6  o 135.9523 2.082080  184.8241       5.654877  180.0293       7.778334  190.1992       8.235656  -3.729813      4.164159  
1 1 1 -10 17 7  o 190.3748 2.006850  361.5279       7.616565  379.0625       11.32672  347.0545       10.29058  8.383636       4.013700  
1 1 1 -10 17 8  o 191.7867 2.021608  368.2784       7.754077  366.4457       10.91079  370.1487       11.02189  -0.9629059     4.043216  
1 1 1 -10 17 9  o 290.8456 3.036205  848.0844       17.65576  860.0756       25.35228  836.7916       24.60263  3.977203       6.072409  
1 1 1 -10 17 10 o 63.85835 0.7882158 40.76056       1.006280  41.70485       1.448392  39.87947       1.399080  1.428791       1.576432  
1 1 1 -10 17 11 f 142.1190 1.520380  201.9727       4.318611  198.0428       5.978074  206.2623       6.245580  -2.887039      3.040761  
1 1 1 -10 17 12 o 113.5255 1.239140  127.1561       2.782264  140.6754       4.340920  117.7301       3.624664  10.09521       2.478281  
1 1 1 -10 17 13 o 76.71940 0.8960632 58.62394       1.370694  61.98090       2.037624  55.84930       1.852484  3.994064       1.792126  
1 1 1 -10 17 14 f 196.1790 2.066149  384.3145       8.086290  370.2772       10.97914  400.9566       11.95450  -7.793152      4.132298  
1 1 1 -10 17 15 o 126.2511 1.365797  159.4888       3.448267  158.2451       4.832931  160.7785       4.921448  -1.001671      2.731594  
1 1 1 -10 17 16 f 182.8409 2.398419  328.7451       8.025618  319.7426       9.520567  350.8510       14.91890  -8.318985      4.796837  
1 1 1 -10 17 17 o 166.5191 2.512936  278.0370       8.368374  276.5817       11.74899  279.5356       11.92225  -0.8801880     5.025872  
1 1 1 -10 17 18 o 174.7549 2.627563  305.8758       9.171415  297.6332       12.58841  315.2005       13.38929  -4.992355      5.255127  
1 1 1 -10 17 19 o 59.87484 1.111714  35.81711       1.330205  37.26848       1.928681  34.50037       1.837050  2.309868       2.223429  
1 1 1 -10 17 20 f 118.3438 1.836123  140.2001       4.343335  137.5762       6.020165  143.0485       6.272403  -2.303490      3.672246  
1 1 1 -10 17 21 o 137.1241 2.096802  188.0374       5.738432  181.5990       7.818087  195.5576       8.449366  -5.062408      4.193605  
1 1 1 -10 17 22 o 33.46240 0.8252859 11.48219       0.5085181 10.46949       0.8984868 11.95946       0.6168158 -2.231388      1.650572  
1 1 1 -10 17 23 f 48.24445 0.7005668 23.26790       0.6757495 22.59700       0.9419518 23.97931       0.9699723 -1.432137      1.401134  
1 1 1 -10 17 24 o 148.1404 1.585218  219.8441       4.696252  217.9918       6.586976  221.7591       6.697409  -1.266891      3.170435  
1 1 1 -10 17 25 o 58.99931 0.7634695 34.62637       0.8973947 37.04823       1.343100  32.67327       1.206135  3.704502       1.526939  
1 1 1 -10 17 26 o 82.23396 0.9532880 67.18559       1.559160  72.24326       2.359978  63.26809       2.077000  5.448257       1.906576  
1 1 1 -10 17 27 o 89.73282 1.020851  80.48653       1.830014  82.90108       2.665306  78.33304       2.517109  2.540192       2.041702  
1 1 1 -10 17 28 o 34.03645 0.6531960 11.27457       0.4384762 13.76422       0.6917824 9.602686       0.5668964 6.110279       1.306392  
1 1 1 -10 17 29 f 8.536108 1.441785  0.7497688      0.2411211 0.8403720      0.3710820 0.6835614      0.3172131 0.8795080      2.883570  
1 1 1 -10 17 30 o 111.6823 1.231835  124.1881       2.737935  117.5695       3.659726  132.6012       4.126149  -6.703613      2.463670  
1 1 1 -10 17 31 o 109.2365 1.210564  119.5275       2.644182  117.9819       3.693162  121.1531       3.787500  -1.446083      2.421128  
1 1 1 -10 17 32 o 83.47583 0.9737160 69.61018       1.623090  66.90968       2.220764  72.70686       2.378094  -3.464508      1.947432  
1 1 1 -10 17 33 o 40.57727 0.9436903 16.49384       0.7642013 16.38967       1.116119  16.58577       1.048533  -0.2450905     1.887381  
1 1 1 -10 17 34 o 101.1552 1.599965  102.7394       3.236481  103.1459       4.618072  102.3469       4.537151  0.3875580      3.199929  
1 1 1 -10 17 35 o 16.58936 1.148610  2.776025       0.3771386 2.310516       0.5319985 3.246311       0.5347209 -2.820269      2.297219  
1 1 1 -10 17 36 o 12.62361 1.173494  1.580677       0.2909690 1.686715       0.4631900 1.511558       0.3739655 0.6864157      2.346987  
1 1 1 -10 17 37 o 17.37503 0.9774643 3.078736       0.3321976 2.716834       0.5079984 3.349121       0.4390946 -1.824312      1.954929  
1 1 1 -10 17 38 o 92.98952 1.068802  86.68335       1.987314  87.34619       2.844741  86.05153       2.777440  0.6902847      2.137605  
1 1 1 -10 17 39 o 27.25197 0.7670746 7.209368       0.4115398 8.923985       0.6541805 6.086357       0.5294269 5.197922       1.534149  
1 1 1 -10 17 40 f 111.9236 1.249236  125.8101       2.796347  125.6661       3.963143  125.9529       3.946175  -0.1301880     2.498472  
1 1 1 -10 17 41 o 33.75630 0.7364644 11.30204       0.4932956 12.27251       0.7568087 10.58515       0.6504577 2.491123       1.472929  
1 1 1 -10 17 42 o 73.59515 0.9119396 54.23987       1.340566  55.49622       1.954457  53.12370       1.842211  1.600548       1.823879  
1 1 1 -10 17 43 o 74.00406 0.9239077 54.92540       1.367251  54.86426       1.950046  54.98451       1.917535  -0.8484650E-01 1.847815  
1 1 1 -10 17 44 o 99.54741 1.143462  99.47250       2.275123  96.88233       3.149498  102.2991       3.290128  -2.699867      2.286924  
1 1 1 -10 17 45 f 82.85822 0.9975235 68.91703       1.653016  68.23933       2.334304  69.59872       2.341147  -0.8193817     1.995047  
1 1 1 -10 17 46 o 24.52746 0.8686770 5.970932       0.4231534 6.564567       0.6467116 5.526510       0.5595626 2.105272       1.737354  
1 1 1 -10 17 47 o 57.82080 0.8233160 33.53002       0.9515216 33.43897       1.368641  33.61520       1.323789  -0.1578407     1.646632  
1 1 1 -10 17 48 o 30.37548 0.8203006 9.327806       0.4937811 8.588579       0.7312880 9.947261       0.6694289 -2.244783      1.640601  
1 1 1 -10 17 49 o 59.38654 0.8426049 35.38549       1.000523  34.25714       1.405121  36.54597       1.424994  -1.924118      1.685210  
1 1 1 -10 17 50 o 43.84803 0.7973002 19.31146       0.6972660 18.95336       1.019499  19.62618       0.9557512 -0.7763100     1.594600  
1 1 1 -10 17 51 o 9.367127 1.608839  0.9128108      0.3746875 -0.1073128     0.5756974 1.662488       0.4935203 -6.923162      3.217677  
1 1 1 -10 17 52 o 25.13488 0.9512947 6.261000       0.4706523 6.840189       0.7467578 5.879312       0.6062112 1.884247       1.902589  
1 1 1 -10 17 53 o 18.72532 1.209351  3.616155       0.4423599 3.052643       0.6667024 4.059343       0.5912539 -2.708040      2.418702  
1 1 1 -10 17 54 o 29.05879 1.818063  9.225678       0.8117735 9.617682       0.9082198 7.668464       1.810170  3.693031       3.636126  
1 1 1 -10 17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 17 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 18 1  o 72.48184 0.8571993 52.55022       1.242574  52.47406       1.748572  52.62790       1.766089  -0.1059189     1.714399  
1 1 1 -10 18 2  o 151.1880 1.610824  228.7589       4.869932  226.5968       6.813316  231.0172       6.963382  -1.458633      3.221648  
1 1 1 -10 18 3  f 195.1607 2.054709  381.3333       8.017388  376.1592       11.17011  386.8314       11.51432  -2.724869      4.109418  
1 1 1 -10 18 4  o 148.8124 2.261298  220.8956       6.705999  232.9365       10.00616  211.0777       9.035395  7.315552       4.522595  
1 1 1 -10 18 5  o 149.2190 1.590696  222.8602       4.747027  224.1191       6.752104  221.6299       6.675179  0.8324738      3.181393  
1 1 1 -10 18 6  o 37.93872 0.6385183 13.88838       0.4758765 17.68306       0.7604667 11.44605       0.6100914 8.218571       1.277037  
1 1 1 -10 18 7  o 221.7500 2.326487  492.7406       10.31794  492.0874       14.56889  493.3979       14.61475  -0.2940369     4.652975  
1 1 1 -10 18 8  o 204.6688 2.152546  419.0332       8.800239  431.3632       12.83391  408.0908       12.09020  5.663406       4.305091  
1 1 1 -10 18 9  o 119.9366 1.302986  143.8734       3.124193  141.6207       4.343284  146.2887       4.497294  -1.943222      2.605973  
1 1 1 -10 18 10 o 20.53915 0.7433388 4.212668       0.3047234 4.609712       0.4399627 3.846590       0.4224580 1.857534       1.486678  
1 1 1 -10 18 11 f 173.5708 1.837364  301.3392       6.371941  309.4403       9.261915  294.0592       8.779959  4.417480       3.674729  
1 1 1 -10 18 12 o 161.6376 1.717133  261.5610       5.550269  264.0644       7.930012  259.1571       7.770936  1.513763       3.434265  
1 1 1 -10 18 13 o 259.8481 2.720798  677.3824       14.13865  682.7066       20.15610  672.2251       19.83784  2.003082       5.441597  
1 1 1 -10 18 14 o 297.1718 3.107046  886.1531       18.45062  867.2342       25.46993  907.0439       26.76440  -6.632813      6.214092  
1 1 1 -10 18 15 o 179.6443 1.902736  323.2660       6.836038  322.2665       9.618287  324.2863       9.717715  -0.5589905     3.805472  
1 1 1 -10 18 16 o 94.88870 1.068050  89.22200       2.011664  83.47042       2.655816  96.96352       3.081186  -7.101845      2.136101  
1 1 1 -10 18 17 o 87.89725 1.001912  77.14899       1.758676  79.98659       2.573641  74.66321       2.408820  3.024971       2.003825  
1 1 1 -10 18 18 o 69.13201 0.8369480 47.60405       1.153944  45.16127       1.561983  50.53922       1.712186  -3.886963      1.673896  
1 1 1 -10 18 19 o 124.2931 1.348961  154.0422       3.342427  147.4039       4.513345  162.1047       4.973967  -5.899780      2.697921  
1 1 1 -10 18 20 o 124.0224 1.345589  153.5945       3.330452  159.9591       4.907683  148.1613       4.534376  4.744347       2.691178  
1 1 1 -10 18 21 f 124.0721 1.346709  154.1291       3.341548  152.9672       4.692370  155.3247       4.759676  -0.9477005     2.693418  
1 1 1 -10 18 22 o 82.49989 1.034893  67.76810       1.679077  66.24686       2.172914  70.02271       2.645322  -2.274376      2.069785  
1 1 1 -10 18 23 o 44.57937 0.8490127 19.73172       0.7038131 19.47290       0.8482810 20.30350       1.260818  -0.9207191     1.698025  
1 1 1 -10 18 24 o 102.6379 1.631712  105.5737       3.348565  104.1560       4.669395  107.0748       4.804673  -1.414520      3.263423  
1 1 1 -10 18 25 f 49.14096 1.027958  24.15095       1.009756  24.85961       1.457463  23.49681       1.400275  1.384579       2.055915  
1 1 1 -10 18 26 o 58.66808 1.104280  34.44341       1.295139  33.76679       1.799150  35.17115       1.865880  -1.194012      2.208560  
1 1 1 -10 18 27 o 110.8210 1.742284  122.6994       3.847865  129.8141       5.741941  116.8998       5.184120  5.784355       3.484568  
1 1 1 -10 18 28 o 64.61281 1.163811  41.76781       1.502756  43.12556       2.178816  40.53590       2.075392  1.998520       2.327623  
1 1 1 -10 18 29 o 56.74078 1.214305  33.11458       1.110462  30.81716       2.412792  33.73201       1.250809  -2.631657      2.428610  
1 1 1 -10 18 30 o 42.75031 1.303471  0.000000       0.000000  ?              ?         18.29825       1.114475  ?              ?         
1 1 1 -10 18 31 o 96.09137 1.532663  92.37614       2.939513  88.34175       4.004047  97.09229       4.329161  -4.526459      3.065325  
1 1 1 -10 18 32 o 39.59488 0.9362366 15.67493       0.7382184 15.95482       1.100393  15.44587       0.9954714 0.6371994      1.872473  
1 1 1 -10 18 33 o 20.09957 0.8150518 3.961506       0.3242587 4.734704       0.5022330 3.408821       0.4246187 3.294397       1.630104  
1 1 1 -10 18 34 o 52.13597 0.7418060 27.14534       0.7718302 28.16479       1.136840  26.27363       1.051244  1.809277       1.483612  
1 1 1 -10 18 35 o 31.10470 0.6919610 9.535563       0.4266953 10.84333       0.6588258 8.590639       0.5600197 3.616344       1.383922  
1 1 1 -10 18 36 o 15.72059 1.103883  2.634520       0.3238741 1.643277       0.4770217 3.482229       0.4411348 -5.851732      2.207766  
1 1 1 -10 18 37 o 26.86008 0.7504123 7.264622       0.4008152 6.687082       0.5830314 7.782176       0.5519236 -2.040468      1.500825  
1 1 1 -10 18 38 o 74.11618 0.9102871 54.85161       1.346588  51.99188       1.834161  58.19530       1.983295  -4.172508      1.820574  
1 1 1 -10 18 39 o 88.68330 1.036183  78.88555       1.837777  78.12282       2.586358  79.66341       2.611849  -0.8658905     2.072367  
1 1 1 -10 18 40 o 27.80145 0.8034571 7.880130       0.4337731 5.691273       0.6105367 10.11124       0.6164009 -7.948681      1.606914  
1 1 1 -10 18 41 o 32.76530 0.7507568 10.36787       0.4826369 12.96509       0.7792737 8.751673       0.6147290 6.415606       1.501514  
1 1 1 -10 18 42 o 46.51799 0.7545351 21.70563       0.7012057 20.76750       0.9991583 22.61610       0.9843174 -1.988342      1.509070  
1 1 1 -10 18 43 o 36.41166 0.7522988 13.22993       0.5442243 11.23019       0.7452840 15.51437       0.7965720 -5.877895      1.504598  
1 1 1 -10 18 44 o 53.66182 0.7922748 28.86250       0.8497958 28.95803       1.223937  28.77359       1.180808  0.1671867      1.584550  
1 1 1 -10 18 45 o 41.61684 0.7630011 17.36945       0.6342562 16.27849       0.8933845 18.47813       0.9006065 -2.641926      1.526002  
1 1 1 -10 18 46 o 36.08739 0.7709280 13.09092       0.5548396 12.40435       0.8011989 13.72359       0.7691079 -1.831532      1.541856  
1 1 1 -10 18 47 o 23.33298 0.9416054 5.594883       0.4291801 4.546942       0.6360019 6.471069       0.5815513 -4.131626      1.883211  
1 1 1 -10 18 48 o 64.39638 0.8788127 41.61457       1.131474  40.13306       1.585691  43.15135       1.615003  -2.338993      1.757625  
1 1 1 -10 18 49 o 48.04953 0.7988953 23.18274       0.7666436 22.73353       1.107788  23.59561       1.062053  -0.9036446     1.597791  
1 1 1 -10 18 50 o 25.71700 0.9345224 6.778493       0.4700769 5.830765       0.7115032 7.512625       0.6262128 -3.285284      1.869045  
1 1 1 -10 18 51 o 13.82251 1.529230  2.103834       0.3848731 1.414488       0.5924067 2.607294       0.5062718 -4.534062      3.058459  
1 1 1 -10 18 52 o 61.24583 0.8807183 37.71376       1.078203  36.82690       1.538278  38.57023       1.511689  -1.428432      1.761437  
1 1 1 -10 18 53 o 28.75983 1.129297  8.203658       0.6332303 7.765762       0.8008799 8.933971       1.034276  -1.971029      2.258593  
1 1 1 -10 18 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 18 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 19 1  f 104.9962 1.666165  110.3444       3.497876  112.1634       5.018237  108.6255       4.878222  1.680862       3.332331  
1 1 1 -10 19 2  o 82.00463 0.9433233 67.25350       1.546725  66.36852       2.157625  68.18907       2.218441  -1.109070      1.886647  
1 1 1 -10 19 3  o 182.6192 1.928712  334.0698       7.044252  332.9661       9.924669  335.1902       9.999911  -0.6065521     3.857423  
1 1 1 -10 19 4  o 114.1545 1.246437  130.3593       2.844869  128.5785       3.965146  132.2484       4.083990  -1.605003      2.492875  
1 1 1 -10 19 5  o 95.26978 1.066506  90.77137       2.031477  92.34392       2.917758  89.29186       2.830129  1.600243       2.133012  
1 1 1 -10 19 6  o 194.4648 2.050476  378.9102       7.974896  378.7076       11.26726  379.1136       11.28919  -0.1036530     4.100953  
1 1 1 -10 19 7  o 191.1963 2.016812  364.6492       7.683156  348.8359       10.34317  384.1167       11.47618  -9.188141      4.033624  
1 1 1 -10 19 8  o 45.07460 0.6869684 20.07582       0.6155080 22.85688       0.9333572 17.93568       0.8187743 5.457615       1.373937  
1 1 1 -10 19 9  o 169.3428 1.795508  287.2197       6.081072  288.0227       8.622025  286.4248       8.578013  0.4704437      3.591015  
1 1 1 -10 19 10 o 46.43781 0.6816972 21.23629       0.6277668 24.26314       0.9674422 19.03485       0.8250543 5.627617       1.363394  
1 1 1 -10 19 11 f 147.5540 1.579420  217.6893       4.655617  224.3732       6.783349  211.7371       6.401321  4.270569       3.158841  
1 1 1 -10 19 12 o 181.9012 1.924757  331.4558       7.000372  335.9301       10.04255  327.2268       9.763400  2.381714       3.849513  
1 1 1 -10 19 13 f 198.8208 2.096123  396.0067       8.329488  388.2612       11.53010  404.4612       12.04619  -4.051514      4.192245  
1 1 1 -10 19 14 o 83.82446 0.9657591 69.07561       1.598171  77.84699       2.516820  63.14913       2.068789  8.757599       1.931518  
1 1 1 -10 19 15 o 77.32564 0.9130859 59.31907       1.403321  55.57001       1.863017  64.23611       2.133575  -5.598045      1.826172  
1 1 1 -10 19 16 o 235.4483 2.473876  556.4631       11.64651  563.7307       16.69482  549.5732       16.25529  2.980774       4.947751  
1 1 1 -10 19 17 o 139.1046 1.495696  193.6152       4.157798  189.2895       5.742846  198.3804       6.027506  -3.256989      2.991392  
1 1 1 -10 19 18 o 141.5276 1.519709  200.4546       4.298039  205.3394       6.232686  196.0254       5.934931  3.278275       3.039418  
1 1 1 -10 19 19 o 238.9908 2.512631  573.5430       11.99866  560.5505       16.54598  587.9537       17.42549  -5.667999      5.025261  
1 1 1 -10 19 20 o 98.58563 1.103260  97.12959       2.172413  100.4095       3.172695  94.23443       2.980790  3.125130       2.206521  
1 1 1 -10 19 21 o 59.16680 0.7662156 34.78717       0.9031569 32.37302       1.213546  37.78444       1.352186  -4.569485      1.532431  
1 1 1 -10 19 22 o 189.5667 2.007073  360.7512       7.609326  359.4630       10.71996  362.0594       10.80295  -0.6790771     4.014146  
1 1 1 -10 19 23 o 105.7306 1.172945  111.5943       2.474230  107.1769       3.359932  116.8277       3.657106  -4.551003      2.345891  
1 1 1 -10 19 24 o 96.03459 1.082338  92.26759       2.077323  94.49982       3.007821  90.23184       2.872412  2.216011       2.164676  
1 1 1 -10 19 25 o 113.9202 1.252931  129.8258       2.851169  126.0650       3.916509  134.0661       4.158704  -3.498215      2.505862  
1 1 1 -10 19 26 o 81.55826 1.176040  63.97509       1.726955  72.75829       3.347045  60.78851       2.016034  7.267159       2.352079  
1 1 1 -10 19 27 o 35.75904 0.8949005 12.77539       0.6378906 13.10329       0.9463756 12.50239       0.8635324 0.8366203      1.789801  
1 1 1 -10 19 28 o 71.19527 1.211420  50.66798       1.722628  48.29018       2.362986  53.36496       2.516592  -3.554420      2.422839  
1 1 1 -10 19 29 o 97.09834 1.320168  95.77246       2.487221  100.1174       3.196160  89.10139       3.960365  5.726212       2.640335  
1 1 1 -10 19 30 o 14.68675 1.420666  2.337388       0.3777250 1.689458       0.5990428 2.765022       0.4866645 -3.855038      2.841333  
1 1 1 -10 19 31 o 36.09545 0.8505198 12.97306       0.5785987 12.83251       0.7064632 13.25942       1.008393  -0.5759277     1.701040  
1 1 1 -10 19 32 o 40.12254 0.8702407 16.34569       0.6643427 16.88557       0.8288145 15.37542       1.111094  1.898476       1.740481  
1 1 1 -10 19 33 o 54.78551 1.089803  30.04389       1.193128  31.09255       1.730810  29.09435       1.646985  1.817257       2.179607  
1 1 1 -10 19 34 o 98.19928 1.586409  96.94239       3.115624  96.68974       4.390263  97.19873       4.422227  -0.2553635     3.172819  
1 1 1 -10 19 35 o 54.27924 1.095448  29.41769       1.186154  31.31917       1.756120  27.82241       1.608530  3.207737       2.190897  
1 1 1 -10 19 36 o 50.48849 1.073052  25.54655       1.083161  24.83882       1.508533  26.29974       1.556221  -1.442265      2.146104  
1 1 1 -10 19 37 o 110.9873 1.766968  123.8323       3.911789  129.7294       5.791916  118.8862       5.304390  4.800461       3.533937  
1 1 1 -10 19 38 f 32.13071 1.051076  10.36185       0.6748468 10.24572       0.9718145 10.47001       0.9378468 -0.3527565     2.102152  
1 1 1 -10 19 39 o 17.19267 1.444955  2.980025       0.4933085 2.930861       0.7399109 3.019366       0.6618797 -0.2696877     2.889910  
1 1 1 -10 19 40 f 37.63881 0.9759203 14.05921       0.7154119 14.86911       1.165589  13.56968       0.9061821 1.696438       1.951841  
1 1 1 -10 19 41 o 45.50256 0.9190007 21.15799       0.7882323 19.56183       1.337178  22.00798       0.9757923 -2.729118      1.838001  
1 1 1 -10 19 42 o 40.26560 0.9155241 15.66712       0.6715174 17.71263       1.274235  14.88059       0.7901434 3.457596       1.831048  
1 1 1 -10 19 43 o 53.44138 0.8704316 28.76626       0.9143885 27.96330       1.420907  29.33383       1.194615  -1.309418      1.740863  
1 1 1 -10 19 44 o 24.23996 0.9259472 6.021559       0.4392850 4.855001       0.6437331 7.038230       0.6009562 -4.509043      1.851894  
1 1 1 -10 19 45 o 10.73194 1.728924  1.208169       0.3584027 1.231858       0.5622505 1.191955       0.4651575 0.1451645      3.457847  
1 1 1 -10 19 46 f 17.18576 1.199088  3.100913       0.3947003 2.287926       0.5928128 3.748300       0.5290024 -4.261466      2.398175  
1 1 1 -10 19 47 o 18.28781 1.114256  3.326430       0.4019426 3.591868       0.6318408 3.145993       0.5209417 1.197258       2.228512  
1 1 1 -10 19 48 o 16.53437 1.208007  2.633747       0.3898805 3.355711       0.6423951 2.212734       0.4905606 3.422801       2.416014  
1 1 1 -10 19 49 o 10.54359 1.836397  1.142628       0.3800048 1.389883       0.6029953 0.9797426      0.4894214 1.816156       3.672793  
1 1 1 -10 19 50 o 54.40350 0.8413724 29.55281       0.9108873 31.33999       1.372488  28.14594       1.217731  2.908287       1.682745  
1 1 1 -10 19 51 o 9.313827 1.944435  0.9070551      0.3846258 0.8382729      0.6004670 0.9549115      0.5008662 -0.3989029     3.888871  
1 1 1 -10 19 52 o 34.27912 1.282649  11.92791       0.8725464 11.40591       1.300979  12.35469       1.176347  -1.420406      2.565297  
1 1 1 -10 19 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 19 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 20 1  o 37.42669 0.6304161 13.94478       0.4706380 15.39951       0.6913550 12.68841       0.6424929 3.621162       1.260832  
1 1 1 -10 20 2  o 86.91718 0.9901103 75.18159       1.714333  80.07861       2.566753  71.23782       2.303431  5.079842       1.980221  
1 1 1 -10 20 3  o 85.57939 0.9784542 73.23988       1.674093  74.83771       2.407858  71.74478       2.329154  1.805305       1.956908  
1 1 1 -10 20 4  o 59.26651 0.7574735 34.50133       0.8879058 39.47404       1.387694  31.05430       1.155366  7.099316       1.514947  
1 1 1 -10 20 5  f 59.97556 0.7593976 35.97829       0.9108347 36.49930       1.297562  35.47218       1.278871  0.8559647      1.518795  
1 1 1 -10 20 6  o 170.2685 1.805932  290.2560       6.145089  284.2382       8.492590  296.8694       8.902856  -3.692413      3.611865  
1 1 1 -10 20 7  o 154.8723 1.652944  240.1559       5.117879  244.3933       7.363726  236.1965       7.118073  2.637039       3.305888  
1 1 1 -10 20 8  o 176.8937 1.873546  313.6303       6.628349  314.1505       9.388326  313.1132       9.359544  0.2919922      3.747092  
1 1 1 -10 20 9  o 127.8393 1.383845  163.5156       3.535995  166.8975       5.109776  160.4079       4.898232  2.531326       2.767690  
1 1 1 -10 20 10 o 67.23222 0.8224888 44.91284       1.100915  48.40560       1.656185  42.14768       1.473617  4.650352       1.644978  
1 1 1 -10 20 11 o 174.7600 1.852876  306.1444       6.476166  306.0492       9.151984  306.2398       9.165395  -0.5392456E-01 3.705752  
1 1 1 -10 20 12 o 94.38614 1.062858  89.05724       2.004592  91.50343       2.910111  86.84848       2.765275  2.461945       2.125716  
1 1 1 -10 20 13 o 97.00758 1.088546  93.71254       2.103785  89.09019       2.828937  99.43195       3.146782  -5.321030      2.177092  
1 1 1 -10 20 14 o 60.18009 0.7688429 36.23384       0.9253780 36.15944       1.309315  36.30810       1.308049  -0.1235352     1.537686  
1 1 1 -10 20 15 o 148.6792 1.591186  221.2428       4.726329  227.4486       6.880082  215.6972       6.503853  3.933838       3.182373  
1 1 1 -10 20 16 o 151.4985 1.620942  230.0581       4.911357  230.7180       6.964762  229.4054       6.926809  0.4312286      3.241885  
1 1 1 -10 20 17 o 87.92801 1.006387  76.54190       1.755181  83.79513       2.699989  71.23344       2.309830  7.130165       2.012775  
1 1 1 -10 20 18 o 159.6168 1.703988  255.4832       5.439696  255.7466       7.700516  255.2209       7.685289  0.1638031      3.407976  
1 1 1 -10 20 19 f 122.3598 1.333162  149.7568       3.258527  154.3487       4.751513  145.6798       4.477215  3.529556       2.666325  
1 1 1 -10 20 20 o 63.42015 0.7976527 40.24616       1.011665  40.43048       1.441112  40.06706       1.420532  0.2859039      1.595305  
1 1 1 -10 20 21 o 82.32034 0.9558097 67.65948       1.570529  70.59064       2.310874  65.14348       2.140971  3.301720       1.911619  
1 1 1 -10 20 22 o 64.81020 0.8112524 41.76274       1.046821  44.87772       1.573936  39.29178       1.401823  4.303261       1.622505  
1 1 1 -10 20 23 o 21.34221 0.9080651 4.844070       0.3575050 3.736454       0.5966502 5.464472       0.4465413 -4.054266      1.816130  
1 1 1 -10 20 24 o 27.73577 0.9101564 7.647786       0.4959134 5.824340       0.6712219 9.839481       0.7358847 -7.235455      1.820313  
1 1 1 -10 20 25 o 93.63228 1.488573  87.94524       2.787544  87.60831       3.944809  88.28127       3.939563  -0.3597565     2.977146  
1 1 1 -10 20 26 o 23.83406 0.8427898 5.410958       0.3914655 4.460211       0.4914218 7.061919       0.6475749 -5.451012      1.685580  
1 1 1 -10 20 27 o 106.2980 1.184331  112.4515       2.504558  106.0660       3.341066  120.6428       3.784126  -6.828011      2.368663  
1 1 1 -10 20 28 o 50.82885 1.006402  25.53436       1.016261  22.61766       1.349347  29.35736       1.544826  -6.618603      2.012803  
1 1 1 -10 20 29 o 70.26198 0.8651317 49.38564       1.215095  47.95437       1.685907  50.93285       1.752856  -2.115959      1.730263  
1 1 1 -10 20 30 o 39.99472 0.6881564 16.00143       0.5493684 16.15267       0.8042513 15.86914       0.7522062 0.3519745      1.376313  
1 1 1 -10 20 31 o 60.05132 0.7919033 35.84597       0.9463692 38.66054       1.427642  33.63969       1.263988  4.171383       1.583807  
1 1 1 -10 20 32 f 17.42006 0.9162916 2.979249       0.3159997 3.591696       0.4870896 2.534153       0.4152421 3.030533       1.832583  
1 1 1 -10 20 33 o 52.46062 0.7502069 27.55647       0.7870242 26.95811       1.109469  28.16255       1.116606  -1.147518      1.500414  
1 1 1 -10 20 34 o 70.02769 0.8755717 49.12971       1.226213  49.26033       1.744595  49.00220       1.723846  0.1827240      1.751143  
1 1 1 -10 20 35 o 53.10890 0.7617624 28.24837       0.8089326 27.41250       1.138846  29.09958       1.149231  -1.587559      1.523525  
1 1 1 -10 20 36 o 29.85723 0.7489741 8.910137       0.4433692 7.394328       0.6099454 10.60840       0.6456109 -5.379644      1.497948  
1 1 1 -10 20 37 o 44.91296 0.7295738 20.21867       0.6548611 19.66504       0.9355041 20.75062       0.9170001 -1.209980      1.459148  
1 1 1 -10 20 38 o 84.80556 1.004220  72.14642       1.703164  71.15992       2.394093  73.15727       2.423452  -1.174225      2.008441  
1 1 1 -10 20 39 o 71.53334 0.8998061 51.31477       1.287230  50.51431       1.817548  52.12030       1.823301  -1.121910      1.799612  
1 1 1 -10 20 40 o 28.44516 0.7879736 8.157781       0.4439135 7.726466       0.6659704 8.502645       0.5955007 -1.371620      1.575947  
1 1 1 -10 20 41 o 22.84755 0.8622338 5.218442       0.3913891 5.374855       0.5921826 5.097122       0.5215386 0.5995083      1.724468  
1 1 1 -10 20 42 o 9.670764 1.585716  1.017120       0.3399253 0.2545667      0.5102329 1.625680       0.4558114 -6.076272      3.171432  
1 1 1 -10 20 43 f 28.63877 0.8364284 8.335823       0.4725868 7.062674       0.6874709 9.476489       0.6507197 -4.218708      1.672857  
1 1 1 -10 20 44 o 16.10096 1.187441  2.609421       0.3749175 2.607243       0.5911864 2.610886       0.4848990 -0.3154945E-01 2.374883  
1 1 1 -10 20 45 o 29.55000 0.8425079 8.738016       0.4944477 8.966612       0.7488428 8.561319       0.6583704 0.6724224      1.685016  
1 1 1 -10 20 46 o 33.03242 0.8150126 10.78125       0.5341079 12.36070       0.8206370 9.620501       0.7035047 4.130848       1.630025  
1 1 1 -10 20 47 o 39.73796 0.8537415 15.73751       0.6746175 18.33132       0.9976167 13.55200       0.9157396 6.000519       1.707483  
1 1 1 -10 20 48 o 9.517744 1.871540  0.8736444      0.4658902 1.712417       0.6118938 -0.2833097     0.7186410 6.499726       3.743081  
1 1 1 -10 20 49 o 41.05168 1.073999  17.01933       0.8765355 17.45674       1.185932  16.49267       1.301301  1.200989       2.147998  
1 1 1 -10 20 50 o 33.85962 1.860577  11.58840       1.259969  11.58840       1.259969  ?              ?         ?              ?         
1 1 1 -10 20 51 o 21.49739 1.359217  4.826427       0.5615090 5.368386       0.7281923 4.031551       0.8818856 3.156540       2.718434  
1 1 1 -10 20 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 20 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 21 1  f 64.22556 0.7970019 41.15791       1.022098  43.28047       1.498603  39.31181       1.397606  3.087124       1.594004  
1 1 1 -10 21 2  o 212.9487 2.243798  454.8600       9.545508  443.6703       13.13209  467.3956       13.89934  -5.517761      4.487597  
1 1 1 -10 21 3  o 123.5558 1.342019  152.8455       3.315444  155.0882       4.753965  150.7218       4.626138  1.761757       2.684038  
1 1 1 -10 21 4  o 174.7739 1.854266  306.3410       6.481162  304.6548       9.107074  308.0713       9.225568  -0.9707336     3.708532  
1 1 1 -10 21 5  o 87.39949 0.9980110 75.78854       1.733124  82.09649       2.639700  71.00904       2.297741  6.332596       1.996022  
1 1 1 -10 21 6  o 53.92481 0.7220984 29.08738       0.7787180 29.48915       1.109635  28.69748       1.093099  0.7336845      1.444197  
1 1 1 -10 21 7  f 126.3216 1.369961  159.6479       3.457915  163.9517       5.021916  155.7677       4.768389  3.228607       2.739923  
1 1 1 -10 21 8  o 136.8354 1.473578  187.3255       4.027895  192.9438       5.871893  182.3324       5.535581  3.861847       2.947156  
1 1 1 -10 21 9  o 188.1100 1.990886  355.1104       7.489914  356.5734       10.63875  353.6727       10.54653  0.7651520      3.981773  
1 1 1 -10 21 10 o 107.2617 1.185414  114.8822       2.537420  110.6948       3.453543  119.7944       3.740519  -4.230675      2.370829  
1 1 1 -10 21 11 o 82.97591 0.9592744 68.79493       1.589981  66.72746       2.184002  71.12637       2.319230  -2.646423      1.918549  
1 1 1 -10 21 12 f 45.06487 0.6757650 20.05667       0.6048560 18.10175       0.8003232 22.66059       0.9236651 -5.055290      1.351530  
1 1 1 -10 21 13 o 47.63197 0.6891646 22.67674       0.6561871 23.39299       0.9466481 22.01430       0.9103910 1.446388       1.378329  
1 1 1 -10 21 14 f 64.52785 0.8058937 41.58208       1.038660  43.22003       1.517521  40.13849       1.424649  2.385159       1.611787  
1 1 1 -10 21 15 f 90.92885 1.033423  82.64302       1.877182  80.25858       2.580626  85.32249       2.735620  -2.778732      2.066846  
1 1 1 -10 21 16 o 76.81543 0.9077805 57.82721       1.373565  66.08690       2.184644  52.42755       1.766373  8.876259       1.815561  
1 1 1 -10 21 17 o 85.65214 0.9874376 73.00339       1.684002  69.01942       2.256302  78.01350       2.530248  -5.239044      1.974875  
1 1 1 -10 21 18 o 35.85679 0.6561793 12.80359       0.4693116 11.63510       0.6409052 14.15453       0.6891292 -3.511795      1.312359  
1 1 1 -10 21 19 o 106.4407 1.275567  113.5033       2.686159  113.7216       4.113470  113.3410       3.546811  0.1463089      2.551134  
1 1 1 -10 21 20 o 79.56888 1.297446  63.45195       2.064683  62.99204       2.920276  63.91163       2.919529  -0.5779037     2.594891  
1 1 1 -10 21 21 o 114.9860 1.776358  132.4780       4.077016  137.3903       5.995623  128.2530       5.560478  3.936272       3.552716  
1 1 1 -10 21 22 o 52.62055 0.9942905 27.58195       1.043626  25.54664       1.416471  29.99877       1.543522  -4.224079      1.988581  
1 1 1 -10 21 23 o 34.32112 0.6752610 11.72565       0.4620440 10.54194       0.6301195 13.10228       0.6795325 -3.728237      1.350522  
1 1 1 -10 21 24 o 59.12398 0.7737151 34.69962       0.9106427 32.04947       1.218181  38.05645       1.371010  -5.073589      1.547430  
1 1 1 -10 21 25 o 66.62022 0.8361910 44.36542       1.113125  42.93880       1.534531  45.94970       1.617105  -2.255898      1.672382  
1 1 1 -10 21 26 o 101.0072 1.592234  102.3304       3.213890  99.43059       4.436505  105.5327       4.662138  -2.999321      3.184467  
1 1 1 -10 21 27 o 15.65056 0.9707317 2.520790       0.2955715 2.039088       0.4432850 2.906378       0.3966025 -2.773701      1.941463  
1 1 1 -10 21 28 o 27.05996 0.7204937 7.334668       0.3856221 5.959452       0.5332736 8.841936       0.5582901 -5.324856      1.440987  
1 1 1 -10 21 29 o 86.60954 1.007326  75.06381       1.743019  77.21854       2.536456  73.13586       2.399264  2.347244       2.014652  
1 1 1 -10 21 30 o 76.16585 0.9156913 58.07589       1.394343  56.64807       1.939089  59.60460       2.006431  -1.936165      1.831383  
1 1 1 -10 21 31 f 80.51755 0.9547921 64.96927       1.537535  64.76568       2.176870  65.17193       2.171945  -0.2526550     1.909584  
1 1 1 -10 21 32 o 22.67821 0.8029822 5.131561       0.3618118 5.316309       0.5479018 4.988700       0.4818054 0.7176723      1.605964  
1 1 1 -10 21 33 o 88.12447 1.027418  77.87480       1.810750  77.10698       2.548908  78.65710       2.572834  -0.8771667     2.054835  
1 1 1 -10 21 34 o 66.83562 0.8544614 44.68922       1.140700  46.20553       1.665060  43.34815       1.565890  2.128853       1.708923  
1 1 1 -10 21 35 f 85.79230 1.009506  73.82910       1.732133  73.38054       2.449527  74.27773       2.449686  -0.5228729     2.019012  
1 1 1 -10 21 36 o 13.23420 1.185626  1.703178       0.3086789 2.175694       0.4875627 1.387086       0.3987764 2.967544       2.371251  
1 1 1 -10 21 37 o 55.73919 0.7866293 31.13871       0.8767456 30.43668       1.240404  31.83962       1.239407  -1.258579      1.573259  
1 1 1 -10 21 38 o 53.84346 0.7782309 29.04519       0.8370025 29.25334       1.216483  28.85806       1.153433  0.3607292      1.556462  
1 1 1 -10 21 39 o 53.11153 0.7811236 28.18419       0.8282358 26.04954       1.137827  30.58993       1.207917  -4.266987      1.562247  
1 1 1 -10 21 40 o 74.59485 0.9277512 55.83695       1.383989  55.42654       1.965581  56.24049       1.949035  -0.5477142     1.855502  
1 1 1 -10 21 41 o 89.02783 1.056451  79.57446       1.880448  77.56533       2.619094  81.71206       2.701532  -2.316170      2.112901  
1 1 1 -10 21 42 o 71.70377 0.9153444 51.35294       1.307486  54.27654       1.956181  48.99221       1.757814  3.657112       1.830689  
1 1 1 -10 21 43 o 35.44215 0.7822686 12.63926       0.5520545 11.30856       0.7825639 13.95752       0.7788951 -3.737507      1.564537  
1 1 1 -10 21 44 o 19.63964 1.051960  3.934623       0.4021204 3.612200       0.6321826 4.153724       0.5211372 -1.398966      2.103920  
1 1 1 -10 21 45 f 35.05599 0.8025910 12.38199       0.5592299 11.78179       0.8263285 12.88919       0.7596174 -1.589039      1.605182  
1 1 1 -10 21 46 o 60.92006 0.8645067 37.27754       1.052933  36.50027       1.498308  38.03593       1.480004  -1.263443      1.729013  
1 1 1 -10 21 47 o 27.74833 1.297143  7.707195       0.6980696 8.041659       1.146296  7.510043       0.8800822 0.8888760      2.594286  
1 1 1 -10 21 48 o 28.82317 1.283610  8.075937       0.7136983 9.592539       1.215416  7.277790       0.8817205 3.919584       2.567221  
1 1 1 -10 21 49 o 32.73415 0.8810922 10.80263       0.5717073 10.48745       0.8611474 11.05104       0.7644882 -0.8797035     1.762184  
1 1 1 -10 21 50 o 38.31971 0.8657256 14.82465       0.6593048 14.05784       0.9735125 15.47434       0.8960878 -1.864105      1.731451  
1 1 1 -10 21 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 22 1  o 55.31216 0.7305695 30.61195       0.8081828 30.75323       1.143730  30.47106       1.142158  0.2550316      1.461139  
1 1 1 -10 22 2  o 39.27138 0.6400789 15.41557       0.5023481 15.10476       0.6943472 15.75693       0.7276792 -0.8295288     1.280158  
1 1 1 -10 22 3  o 62.17147 0.7816475 38.54732       0.9699709 40.72753       1.428239  36.68091       1.321467  3.251301       1.563295  
1 1 1 -10 22 4  o 80.46906 0.9382229 64.33994       1.502264  69.38073       2.268035  60.39973       2.005204  5.571266       1.876446  
1 1 1 -10 22 5  o 88.08127 1.007818  77.66521       1.775391  77.92944       2.514247  77.40244       2.507331  0.2988968      2.015635  
1 1 1 -10 22 6  o 140.4127 1.510130  197.6259       4.240692  196.8804       5.969035  198.3857       6.025857  -0.5328369     3.020260  
1 1 1 -10 22 7  o 42.29503 0.6638541 17.88307       0.5611721 17.53873       0.7766759 18.25919       0.8117176 -0.8508263     1.327708  
1 1 1 -10 22 8  o 113.4232 1.245377  128.2065       2.813700  135.9495       4.213340  121.9739       3.780157  6.139931       2.490754  
1 1 1 -10 22 9  o 20.62017 0.7199363 4.254431       0.2968725 4.251838       0.4228756 4.256950       0.4168710 -0.1256943E-01 1.439873  
1 1 1 -10 22 10 o 56.99400 0.7504916 32.24477       0.8514423 35.20327       1.282519  29.91323       1.138540  4.636433       1.500983  
1 1 1 -10 22 11 o 81.84758 0.9527618 66.46237       1.549319  62.15884       2.053109  72.15431       2.361186  -6.093681      1.905524  
1 1 1 -10 22 12 o 31.13782 0.6521839 9.654785       0.4050896 8.795406       0.5529415 10.65038       0.5951509 -2.977448      1.304368  
1 1 1 -10 22 13 f 71.15224 0.8600796 50.57112       1.222270  52.58003       1.786235  48.80226       1.676116  2.650490       1.720159  
1 1 1 -10 22 14 o 84.51563 0.9790082 71.51582       1.654824  71.37881       2.336599  71.65370       2.343969  -0.1623077     1.958016  
1 1 1 -10 22 15 f 102.7784 1.146646  105.7456       2.355885  107.9190       3.395872  103.7290       3.271080  2.031799       2.293293  
1 1 1 -10 22 16 o 99.44005 1.353057  99.62241       2.568393  97.42795       4.310557  100.8303       3.198079  -1.780174      2.706115  
1 1 1 -10 22 17 o 76.77127 1.261949  58.07737       1.915579  52.89590       2.490868  65.57767       2.996838  -8.228676      2.523897  
1 1 1 -10 22 18 o 12.24691 1.383308  1.560548       0.3196689 1.379512       0.5020428 1.683997       0.4145721 -1.436582      2.766616  
1 1 1 -10 22 19 o 86.04317 1.215268  72.07771       1.917919  69.08939       2.272046  79.48602       3.577364  -5.960190      2.430536  
1 1 1 -10 22 20 o 39.52310 0.6754786 15.24079       0.5272077 12.81750       0.6865036 18.72456       0.8231224 -7.467979      1.350957  
1 1 1 -10 22 21 o 88.08442 1.013770  77.70956       1.785888  77.96530       2.537521  77.45855       2.513899  0.2863464      2.027539  
1 1 1 -10 22 22 o 47.61959 0.7036114 22.69448       0.6701026 22.60849       0.9492050 22.77993       0.9461388 -0.1801262     1.407223  
1 1 1 -10 22 23 o 15.36710 1.157661  2.360031       0.3491761 2.401757       0.5516310 2.332134       0.4510380 0.2196188      2.315322  
1 1 1 -10 22 24 o 55.22450 0.7538483 30.49961       0.8322132 29.44191       1.156278  31.63639       1.198723  -1.984795      1.507697  
1 1 1 -10 22 25 o 75.87151 0.9101619 57.59381       1.380194  55.90247       1.909847  59.44275       1.996836  -2.327545      1.820324  
1 1 1 -10 22 26 o 29.90434 0.6862354 8.864894       0.4077835 9.698600       0.6211705 8.233489       0.5405782 2.445787       1.372471  
1 1 1 -10 22 27 o 33.87333 0.6896453 11.27840       0.4610130 9.013762       0.6117206 14.25553       0.7013791 -7.732834      1.379291  
1 1 1 -10 22 28 o 101.0599 1.138779  102.4295       2.301693  102.2013       3.254848  102.6578       3.255324  -0.2257767     2.277558  
1 1 1 -10 22 29 o 29.66671 0.7099737 8.823190       0.4168410 7.220230       0.5779381 10.56119       0.6017894 -5.629408      1.419947  
1 1 1 -10 22 30 o 112.3943 1.247924  126.6709       2.802459  130.0698       4.072584  123.6138       3.862321  2.848610       2.495847  
1 1 1 -10 22 31 o 36.55054 0.7008644 13.22659       0.5092245 14.82087       0.7736868 12.00811       0.6763855 3.841122       1.401729  
1 1 1 -10 22 32 o 32.49813 1.044393  10.49209       0.6755012 11.86867       1.014032  9.393875       0.9057227 3.795835       2.088785  
1 1 1 -10 22 33 o 115.4180 1.282468  133.5412       2.954318  138.8363       4.348425  129.0018       4.026227  4.216362       2.564936  
1 1 1 -10 22 34 f 46.74398 0.7336063 21.89370       0.6855826 21.61879       0.9791092 22.15815       0.9602853 -0.5784950     1.467213  
1 1 1 -10 22 35 o 38.81637 0.7169992 14.83851       0.5508595 16.88589       0.8578235 13.40176       0.7186019 4.475929       1.433998  
1 1 1 -10 22 36 o 27.80640 0.7575776 7.655774       0.4183941 8.548249       0.6393349 6.987249       0.5533358 2.798546       1.515155  
1 1 1 -10 22 37 o 55.21838 0.7902386 30.57128       0.8724700 30.09785       1.242161  31.03226       1.225721  -0.8478584     1.580477  
1 1 1 -10 22 38 o 50.17824 0.7713081 24.85170       0.7664244 27.97826       1.190288  22.63731       1.001717  5.301910       1.542616  
1 1 1 -10 22 39 o 34.23885 0.7615472 11.69757       0.5185059 12.22960       0.7829498 11.28196       0.6920002 1.373783       1.523094  
1 1 1 -10 22 40 o 69.43521 0.8941967 48.32710       1.241148  46.47298       1.725570  50.31450       1.786513  -2.758156      1.788393  
1 1 1 -10 22 41 o 53.60685 0.8004857 28.61916       0.8535619 30.70960       1.290926  26.99533       1.137766  3.444229       1.600971  
1 1 1 -10 22 42 o 62.43631 0.8564636 39.12153       1.068552  39.20684       1.544565  39.04321       1.479834  0.1213074      1.712927  
1 1 1 -10 22 43 o 42.45988 0.7865042 18.09092       0.6653562 18.00607       0.9835874 18.16250       0.9034266 -0.1953506     1.573008  
1 1 1 -10 22 44 o 36.85850 1.002197  14.09579       0.6743575 12.54982       1.200460  14.80856       0.8151231 -3.133282      2.004395  
1 1 1 -10 22 45 o 12.05422 2.131303  1.599458       0.5081554 1.247460       0.8346491 1.806781       0.6405553 -2.118180      4.262606  
1 1 1 -10 22 46 o 45.05219 0.9698768 20.19181       0.8449981 19.58234       1.059505  21.25701       1.400706  -1.789318      1.939754  
1 1 1 -10 22 47 o 18.11277 1.186996  3.355092       0.4197037 3.078602       0.6540485 3.548647       0.5472339 -1.325323      2.373992  
1 1 1 -10 22 48 o 32.94456 0.8738843 10.97187       0.5706711 10.34453       0.8515251 11.48336       0.7688882 -1.744740      1.747769  
1 1 1 -10 22 49 f 29.96494 0.9022763 9.019884       0.5357884 9.103142       0.8163298 8.956877       0.7101549 0.2205353      1.804553  
1 1 1 -10 22 50 o 24.86777 1.323797  6.257433       0.6579146 6.213572       0.9117414 6.305086       0.9503207 -0.1714745     2.647594  
1 1 1 -10 22 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 23 1  o 31.69915 1.079882  10.09375       0.6824422 10.86585       0.9563015 9.292508       0.9741852 2.482574       2.159764  
1 1 1 -10 23 2  o 34.77047 1.055438  12.00975       0.7309416 10.96688       0.9821152 13.30470       1.094390  -3.356274      2.110877  
1 1 1 -10 23 3  o 68.06477 1.119670  45.32006       1.453291  49.94426       2.512764  42.99575       1.781476  5.066551       2.239339  
1 1 1 -10 23 4  o 102.0289 1.406737  104.7786       2.709104  103.1184       4.662529  105.6248       3.328641  -1.313713      2.813475  
1 1 1 -10 23 5  o 49.41411 0.6978500 24.38301       0.6888229 23.45361       0.9458312 25.43268       1.005159  -2.000618      1.395700  
1 1 1 -10 23 6  o 88.57034 1.012082  78.52869       1.792355  77.55415       2.501228  79.55733       2.569705  -1.127625      2.024165  
1 1 1 -10 23 7  o 97.14627 1.092179  94.23035       2.117160  98.68017       3.124879  90.45452       2.878504  4.221077       2.184358  
1 1 1 -10 23 8  f 35.44929 0.6497869 12.52426       0.4597650 13.58527       0.6740251 11.60101       0.6287456 2.797359       1.299574  
1 1 1 -10 23 9  o 61.02094 0.7816097 36.82536       0.9470462 40.97093       1.449411  33.73694       1.251031  5.920094       1.563219  
1 1 1 -10 23 10 o 94.61382 1.070607  89.32925       2.020089  85.58258       2.734953  93.82714       2.996621  -4.343483      2.141213  
1 1 1 -10 23 11 o 72.01111 0.8695280 51.83772       1.251160  53.55104       1.817668  50.29500       1.724797  2.256844       1.739056  
1 1 1 -10 23 12 o 52.43452 0.8637979 27.37092       0.8632445 28.02085       1.470636  27.02927       1.066265  0.9282761      1.727596  
1 1 1 -10 23 13 o 60.90060 1.072036  37.14392       1.305562  37.50975       1.865530  36.79277       1.827738  0.5865784      2.144072  
1 1 1 -10 23 14 o 80.91312 1.317845  65.59391       2.131350  66.83363       3.078033  64.45197       2.954150  1.463203       2.635689  
1 1 1 -10 23 15 o 107.9170 1.541454  116.1828       3.240052  113.8953       4.117762  119.9013       5.250048  -2.690102      3.082907  
1 1 1 -10 23 16 o 37.58569 0.6705133 14.13148       0.5039162 14.56258       0.7196953 13.71687       0.7057981 1.124542       1.341027  
1 1 1 -10 23 17 o 71.84750 0.8714144 51.57440       1.250315  53.57485       1.829854  49.82251       1.712408  2.605690       1.742829  
1 1 1 -10 23 18 o 103.9174 1.419812  107.9548       2.779644  109.4724       4.837949  107.2069       3.396149  0.9759293      2.839624  
1 1 1 -10 23 19 o 35.10678 0.8928607 12.25095       0.6230212 10.47880       0.8455514 14.35580       0.9215113 -5.517738      1.785721  
1 1 1 -10 23 20 o 72.18954 0.8780261 52.14222       1.266871  53.31956       1.831647  51.06245       1.754119  1.559036       1.756052  
1 1 1 -10 23 21 o 54.19453 0.7424741 29.39874       0.8046605 28.75183       1.132429  30.05844       1.143577  -1.204922      1.484948  
1 1 1 -10 23 22 o 59.59820 0.7815253 35.49163       0.9300984 36.77888       1.361989  34.36673       1.273210  2.018791       1.563051  
1 1 1 -10 23 23 o 23.09634 0.7352531 5.306490       0.3385564 5.820678       0.5028884 4.880268       0.4578558 2.033525       1.470506  
1 1 1 -10 23 24 o 15.44592 0.9759045 2.441144       0.2951320 2.010888       0.4367905 2.802597       0.4003460 -2.565389      1.951809  
1 1 1 -10 23 25 o 6.629175 1.556320  0.3942683      0.2620477 0.7236338E-01  0.4006704 0.6348846      0.3464065 -2.392931      3.112641  
1 1 1 -10 23 26 o 84.51506 0.9907889 71.24691       1.669222  67.54725       2.252076  75.75713       2.486579  -4.837700      1.981578  
1 1 1 -10 23 27 o 28.86215 0.7068078 8.332038       0.4073971 8.489120       0.5947866 8.193212       0.5591558 0.5104275      1.413616  
1 1 1 -10 23 28 o 55.52397 0.7651822 30.62808       0.8458579 28.31281       1.132232  33.55234       1.272456  -4.708202      1.530364  
1 1 1 -10 23 29 o 52.99117 0.7538334 28.12775       0.7988647 27.70110       1.129393  28.55496       1.130138  -0.8056107     1.507667  
1 1 1 -10 23 30 o 49.56132 0.7369134 24.52004       0.7283977 25.66042       1.079691  23.56748       0.9867864 2.104294       1.473827  
1 1 1 -10 23 31 o 85.28276 1.438919  73.15527       2.453560  74.70946       3.523212  71.69178       3.418857  1.752953       2.877838  
1 1 1 -10 23 32 o 73.69835 0.9062116 54.13534       1.329668  57.75146       1.998745  51.26448       1.780919  4.378342       1.812423  
1 1 1 -10 23 33 o 29.33847 0.7316902 8.447840       0.4248289 9.973666       0.6604941 7.371179       0.5548247 4.425871       1.463380  
1 1 1 -10 23 34 o 44.57600 0.7332513 19.92369       0.6531936 19.41577       0.9345671 20.40877       0.9133101 -1.115841      1.466503  
1 1 1 -10 23 35 o 33.38397 0.7296898 11.03417       0.4832372 12.19954       0.7433609 10.18127       0.6359441 3.012222       1.459380  
1 1 1 -10 23 36 o 8.054874 1.706192  0.6171132      0.3013840 0.9272800      0.4700245 0.4005477      0.3927513 2.695623       3.412385  
1 1 1 -10 23 37 f 46.72806 0.7598848 21.41291       0.7003002 24.75679       1.108840  19.19414       0.9032331 5.929443       1.519770  
1 1 1 -10 23 38 o 63.09863 0.8493828 39.87354       1.070000  40.90752       1.568284  38.97304       1.463555  1.519768       1.698766  
1 1 1 -10 23 39 f 28.68066 0.7904412 8.185745       0.4509319 8.841539       0.6824020 7.677425       0.6007929 2.019068       1.580882  
1 1 1 -10 23 40 o 48.15839 0.7760515 23.06598       0.7420688 24.83026       1.133763  21.74373       0.9815130 3.183945       1.552103  
1 1 1 -10 23 41 o 31.32885 0.8114787 9.625043       0.5022079 11.35887       0.7889003 8.443646       0.6512027 4.632883       1.622957  
1 1 1 -10 23 42 o 73.16164 1.317963  53.41821       1.910069  58.12137       2.954432  50.04068       2.503676  5.414528       2.635925  
1 1 1 -10 23 43 o 46.17799 1.013272  21.47821       0.9308875 21.78743       1.258840  21.10509       1.382825  0.7633057      2.026543  
1 1 1 -10 23 44 o 30.26141 0.8525028 9.061350       0.5105785 10.11108       0.7947445 8.323591       0.6662620 2.931311       1.705006  
1 1 1 -10 23 45 o 38.09578 0.8153977 14.58471       0.6176068 14.47127       0.9229875 14.67669       0.8310801 -0.2863159     1.630795  
1 1 1 -10 23 46 o 28.42667 0.8900614 7.957335       0.4983749 9.050492       0.7924217 7.241981       0.6410255 3.151131       1.780123  
1 1 1 -10 23 47 o 20.63919 1.099826  4.349908       0.4460292 3.940225       0.6781858 4.662189       0.5921023 -1.770977      2.199651  
1 1 1 -10 23 48 o 17.00234 1.351400  3.038180       0.4421040 2.301325       0.6630694 3.627941       0.5932067 -3.924318      2.702800  
1 1 1 -10 23 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 24 1  o 150.0534 2.266640  226.6175       6.794404  220.6910       9.341941  233.2729       9.899781  -4.123764      4.533280  
1 1 1 -10 24 2  f 133.0917 2.022037  177.5976       5.366161  186.2411       7.967775  170.4227       7.259390  5.865082       4.044075  
1 1 1 -10 24 3  o 134.0984 2.037813  180.5971       5.456313  174.9408       7.463019  187.0924       7.997456  -4.471985      4.075625  
1 1 1 -10 24 4  o 74.54514 1.028563  55.54754       1.531448  57.77191       2.237348  53.58659       2.100694  2.799652       2.057126  
1 1 1 -10 24 5  o 85.86045 1.244007  74.18009       2.000485  74.71782       2.439039  73.07482       3.496826  1.026596       2.488013  
1 1 1 -10 24 6  o 51.20794 1.099718  26.18801       1.124157  24.96120       1.533167  27.61445       1.653205  -2.583519      2.199437  
1 1 1 -10 24 7  o 85.26439 1.441217  72.89950       2.456873  71.74414       3.421555  74.12930       3.530072  -1.390198      2.882435  
1 1 1 -10 24 8  o 97.44333 2.261224  0.000000       0.000000  ?              ?         95.32597       4.406824  ?              ?         
1 1 1 -10 24 9  o 107.2882 2.355626  0.000000       0.000000  ?              ?         115.6024       5.054618  ?              ?         
1 1 1 -10 24 10 o 79.22621 1.609763  62.44368       2.357940  64.53807       4.271776  61.52593       2.827752  1.774651       3.219525  
1 1 1 -10 24 11 o 131.3671 2.005873  173.6468       5.269579  172.0438       7.388748  175.3061       7.517542  -1.227249      4.011745  
1 1 1 -10 24 12 o 58.98447 1.050111  34.79491       1.237350  36.01939       1.803843  33.70674       1.700483  1.954212       2.100222  
1 1 1 -10 24 13 o 62.93098 1.102463  39.11253       1.373513  43.62986       2.135054  35.92301       1.794032  6.101273       2.204926  
1 1 1 -10 24 14 o 88.72254 1.023886  78.83199       1.816346  77.79784       2.533585  79.92551       2.605319  -1.194611      2.047773  
1 1 1 -10 24 15 o 65.06834 0.8261544 42.38831       1.075087  42.13941       1.512233  42.64267       1.528706  -0.3858566     1.652309  
1 1 1 -10 24 16 o 75.72617 0.9100065 57.29657       1.375810  55.24012       1.879422  59.67100       2.019500  -2.917091      1.820013  
1 1 1 -10 24 17 o 39.17345 0.6771648 15.25707       0.5287563 16.77767       0.7866443 14.00383       0.7141498 3.537037       1.354330  
1 1 1 -10 24 18 f 48.08360 0.7132642 23.08471       0.6850514 21.81970       0.9416927 24.50669       0.9984112 -2.791241      1.426528  
1 1 1 -10 24 19 o 42.02647 0.6877113 17.67793       0.5777669 17.70636       0.8302941 17.65124       0.8044884 0.6433868E-01  1.375423  
1 1 1 -10 24 20 o 76.09593 0.9136830 57.84637       1.388076  55.47535       1.895225  60.58995       2.038689  -3.351181      1.827366  
1 1 1 -10 24 21 o 91.01711 1.045635  83.03366       1.903309  83.43199       2.708323  82.64495       2.675350  0.4297104      2.091269  
1 1 1 -10 24 22 o 83.29074 0.9774321 69.39812       1.626217  67.06819       2.233244  72.02816       2.372725  -2.966415      1.954864  
1 1 1 -10 24 23 o 82.98925 0.9751530 69.01978       1.618379  69.59794       2.308622  68.46111       2.269351  0.6816864      1.950306  
1 1 1 -10 24 24 o 45.05614 0.7137868 20.29803       0.6425959 20.95237       0.9339533 19.70980       0.8855159 1.375866       1.427574  
1 1 1 -10 24 25 o 52.59725 0.7515828 27.49476       0.7869670 29.90630       1.184709  25.59031       1.052809  4.093555       1.503166  
1 1 1 -10 24 26 o 66.80696 0.8457079 44.72226       1.129958  44.78917       1.603945  44.65634       1.592124  0.9840393E-01  1.691416  
1 1 1 -10 24 27 o 50.04744 0.7400155 24.89183       0.7377923 22.71137       0.9926708 27.58287       1.102787  -4.858368      1.480031  
1 1 1 -10 24 28 o 57.97002 0.7883189 33.66344       0.9138799 32.98254       1.284676  34.36102       1.300308  -1.187649      1.576638  
1 1 1 -10 24 29 o 55.55168 0.7751476 30.54805       0.8556738 27.64175       1.134713  34.37943       1.302846  -6.049706      1.550295  
1 1 1 -10 24 30 o 39.33157 0.7152197 15.40127       0.5599151 16.43168       0.8430839 14.58816       0.7489306 2.335609       1.430439  
1 1 1 -10 24 31 o 80.57138 0.9672691 65.10293       1.558299  63.84370       2.174448  66.43243       2.234307  -1.599266      1.934538  
1 1 1 -10 24 32 o 32.21552 0.7369133 10.41543       0.4729270 9.279827       0.6643146 11.58237       0.6734179 -3.572777      1.473827  
1 1 1 -10 24 33 o 50.04929 0.7561880 25.07625       0.7557572 25.58325       1.104456  24.62981       1.036392  0.9455185      1.512376  
1 1 1 -10 24 34 o 38.60431 0.7270964 14.58403       0.5538447 17.15797       0.8751320 12.86432       0.7153230 5.544945       1.454193  
1 1 1 -10 24 35 o 29.54250 0.7791309 8.816463       0.4567640 7.964360       0.6665084 9.571033       0.6272052 -2.723684      1.558262  
1 1 1 -10 24 36 o 49.98415 0.7702593 24.43573       0.7584919 28.65155       1.206928  21.68387       0.9751115 6.943401       1.540519  
1 1 1 -10 24 37 f 64.87749 0.8580214 42.23662       1.113196  41.67522       1.578524  42.79204       1.570105  -0.8618698     1.716043  
1 1 1 -10 24 38 o 63.74328 0.8543055 40.66703       1.086495  42.30461       1.604350  39.27975       1.476653  2.353691       1.708611  
1 1 1 -10 24 39 o 27.32588 1.137853  7.542520       0.6136824 7.339119       0.9406060 7.693271       0.8097714 -0.6741409     2.275707  
1 1 1 -10 24 40 o 60.37847 1.179975  36.57016       1.418348  38.15400       2.127273  35.30255       1.903092  2.313694       2.359949  
1 1 1 -10 24 41 o 73.00651 0.9349497 53.07602       1.355289  57.40295       2.071603  49.83829       1.791993  5.130463       1.869899  
1 1 1 -10 24 42 o 27.76650 0.8615043 7.683755       0.4731441 8.122602       0.7334476 7.370961       0.6192164 1.333843       1.723009  
1 1 1 -10 24 43 o 50.31481 0.8146085 25.23434       0.8143073 26.96949       1.239250  23.91585       1.080261  3.006252       1.629217  
1 1 1 -10 24 44 f 44.32347 0.8061563 19.73193       0.7124034 19.64000       1.048415  19.81078       0.9710121 -0.2063904     1.612313  
1 1 1 -10 24 45 o 26.66738 0.9084491 7.141526       0.4806457 7.212268       0.7287747 7.087067       0.6394270 0.2161846      1.816898  
1 1 1 -10 24 46 f 31.28020 0.8745924 9.874905       0.5425235 9.519650       0.8138498 10.15903       0.7278255 -1.040552      1.749185  
1 1 1 -10 24 47 o 16.47729 1.347040  2.862499       0.4250385 2.207077       0.6515705 3.348000       0.5607844 -3.491086      2.694081  
1 1 1 -10 24 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 25 1  o 136.2597 1.476203  186.3211       4.020801  190.1898       5.801543  182.7454       5.577609  2.709137       2.952406  
1 1 1 -10 25 2  o 30.89367 0.6559783 9.507211       0.4039518 10.67680       0.5922567 8.489838       0.5523745 3.537725       1.311957  
1 1 1 -10 25 3  o 125.2596 1.368602  156.9717       3.420286  164.1647       5.053748  150.8927       4.645970  5.260277       2.737205  
1 1 1 -10 25 4  o 51.85236 0.8492820 26.90663       0.8489174 26.98646       1.402562  26.86048       1.066444  0.1025238      1.698564  
1 1 1 -10 25 5  o 124.5606 1.906658  155.5413       4.732768  163.9565       7.061971  148.6802       6.376661  6.044380       3.813317  
1 1 1 -10 25 6  o 88.17361 1.403605  78.02602       2.475003  77.13828       3.472234  78.94293       3.528817  -1.017998      2.807210  
1 1 1 -10 25 7  o 23.97612 0.8533254 5.748201       0.4086457 6.183074       0.5892823 5.345343       0.5671760 1.745728       1.706651  
1 1 1 -10 25 8  o 49.84822 0.8339540 24.98755       0.8033182 25.29970       1.016306  24.46777       1.311427  0.8512230      1.667908  
1 1 1 -10 25 9  o 78.51524 0.9309363 61.74319       1.461715  62.33324       2.084704  61.17258       2.050086  0.7368851      1.861873  
1 1 1 -10 25 10 o 34.67654 0.6755126 11.90712       0.4659186 10.50925       0.6242493 13.66517       0.7000658 -4.546925      1.351025  
1 1 1 -10 25 11 o 54.43356 0.8167961 29.80239       0.8802693 30.69285       1.174953  28.66312       1.329012  1.873219       1.633592  
1 1 1 -10 25 12 o 58.02476 0.9825729 34.40728       1.072945  35.85048       1.326710  31.67894       1.824164  3.628117       1.965146  
1 1 1 -10 25 13 o 59.53156 1.161747  35.44697       1.380543  34.20371       1.883142  36.89151       2.029869  -2.245518      2.323494  
1 1 1 -10 25 14 o 72.82788 1.294427  52.93376       1.879439  56.78208       2.797479  49.76780       2.537373  4.791809       2.588855  
1 1 1 -10 25 15 o 23.72815 1.187480  5.679948       0.5600248 6.264226       0.7807966 5.060906       0.8036888 2.537615       2.374960  
1 1 1 -10 25 16 o 65.46150 1.213301  42.91180       1.586988  44.83884       2.305841  41.17747       2.187512  2.785599       2.426601  
1 1 1 -10 25 17 o 40.44314 0.8732507 16.98825       0.6603507 14.57441       1.112976  18.29963       0.8203452 -4.625301      1.746501  
1 1 1 -10 25 18 f 87.71571 1.016971  77.10458       1.783618  78.03041       2.557447  76.22780       2.488788  1.021759       2.033942  
1 1 1 -10 25 19 o 20.52785 0.8225467 4.086526       0.3270144 5.854417       0.5101516 2.853418       0.4260614 7.303825       1.645093  
1 1 1 -10 25 20 o 92.80304 1.066642  86.13065       1.975683  82.87979       2.691610  89.92814       2.909125  -3.777061      2.133284  
1 1 1 -10 25 21 o 70.38469 0.8699688 49.55268       1.223376  47.82180       1.683764  51.48822       1.780519  -2.596779      1.739938  
1 1 1 -10 25 22 o 25.01705 0.7435686 6.266906       0.3714058 6.289004       0.5417042 6.247302       0.5102041 0.8104706E-01  1.487137  
1 1 1 -10 25 23 o 153.3747 1.657424  237.0206       5.082355  233.5355       7.075988  240.7345       7.304531  -2.307861      3.314848  
1 1 1 -10 25 24 o 83.57684 0.9845240 69.91103       1.643134  72.48383       2.405744  67.66138       2.249592  2.868912       1.969048  
1 1 1 -10 25 25 o 63.30173 0.8212977 40.01942       1.037280  42.01193       1.532939  38.33658       1.408785  2.892090       1.642595  
1 1 1 -10 25 26 o 48.64443 0.7370223 23.70528       0.7169260 23.60546       1.021860  23.80204       1.006097  -0.2033768     1.474045  
1 1 1 -10 25 27 o 37.42332 0.7090619 13.96544       0.5288381 14.75116       0.7888234 13.32399       0.7127318 1.900455       1.418124  
1 1 1 -10 25 28 o 29.58665 1.029009  8.996549       0.5926597 7.634365       0.9055427 10.01724       0.7838593 -4.042088      2.058018  
1 1 1 -10 25 29 o 25.96770 0.7682498 6.766179       0.3975495 6.653750       0.5850481 6.862625       0.5418708 -0.4064732     1.536500  
1 1 1 -10 25 30 o 49.40804 0.7547376 24.44645       0.7454126 23.37303       1.039936  25.58074       1.069011  -2.231201      1.509475  
1 1 1 -10 25 31 o 36.26606 0.7264110 13.18390       0.5265359 12.61563       0.7437747 13.75480       0.7454966 -1.570408      1.452822  
1 1 1 -10 25 32 o 33.70747 0.7334082 11.27747       0.4915171 12.39235       0.7462724 10.42332       0.6532071 2.911053       1.466816  
1 1 1 -10 25 33 o 29.84955 0.7629706 8.875043       0.4523941 9.395847       0.6882395 8.478826       0.6003021 1.526260       1.525941  
1 1 1 -10 25 34 o 11.04565 1.516931  1.179088       0.3228269 1.718935       0.5286544 0.8580685      0.4076639 4.016593       3.033862  
1 1 1 -10 25 35 o 41.28410 0.7482683 16.88591       0.6125121 18.59747       0.9443076 15.64280       0.8047734 3.561314       1.496537  
1 1 1 -10 25 36 o 9.227800 2.042309  0.6915210      0.4305058 1.423292       0.7252439 0.2933832      0.5349499 4.722274       4.084619  
1 1 1 -10 25 37 o 27.08241 1.112988  7.267407       0.5938274 8.013674       0.9405009 6.772669       0.7657730 2.256836       2.225976  
1 1 1 -10 25 38 o 40.55884 0.7694236 16.51324       0.6234426 15.63914       0.8826607 17.38347       0.8807045 -2.150646      1.538847  
1 1 1 -10 25 39 o 42.13024 0.7750811 17.77264       0.6508429 18.21214       0.9661583 17.40751       0.8806366 0.9421959      1.550162  
1 1 1 -10 25 40 o 69.67714 0.9123171 48.74136       1.270865  47.06519       1.771291  50.51962       1.824435  -2.469208      1.824634  
1 1 1 -10 25 41 o 35.25535 0.8058435 12.48211       0.5659561 12.43668       0.8376602 12.52026       0.7676766 -0.1306381     1.611687  
1 1 1 -10 25 42 o 52.64555 0.8163009 27.85327       0.8587976 26.86516       1.223091  28.81416       1.206133  -1.854118      1.632602  
1 1 1 -10 25 43 o 35.93533 0.8275678 12.99900       0.5926548 12.58022       0.8674109 13.36567       0.8116463 -1.103287      1.655136  
1 1 1 -10 25 44 o 18.46677 1.177278  3.579097       0.4172547 2.764484       0.6367400 4.192166       0.5523843 -3.888710      2.354557  
1 1 1 -10 25 45 f 18.74287 1.170804  3.539106       0.4312967 3.589565       0.6776941 3.504756       0.5591494 0.1916695      2.341608  
1 1 1 -10 25 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 26 1  o 97.63861 1.527537  95.35258       2.971270  101.0590       4.445256  90.74416       3.994772  5.227608       3.055074  
1 1 1 -10 26 2  f 69.18944 1.153818  47.99856       1.596326  47.30202       2.230610  48.72978       2.285481  -1.026810      2.307637  
1 1 1 -10 26 3  o 94.13960 1.481016  89.03349       2.788041  90.05215       3.984219  88.05604       3.902813  1.050789       2.962031  
1 1 1 -10 26 4  o 24.16038 0.7120414 5.852233       0.3409328 6.916183       0.4909742 4.861463       0.4737886 4.251308       1.424083  
1 1 1 -10 26 5  o 50.08614 0.7170544 25.10892       0.7181858 25.70731       1.023637  24.52882       1.007882  1.175587       1.434109  
1 1 1 -10 26 6  o 77.31396 0.9237594 59.67141       1.424979  62.93852       2.105922  56.91219       1.935320  3.884979       1.847519  
1 1 1 -10 26 7  o 46.96700 0.7056895 22.07874       0.6627222 21.87911       0.9254531 22.28887       0.9494698 -0.4348831     1.411379  
1 1 1 -10 26 8  f 93.64499 1.068559  87.87544       2.000483  86.46075       2.781629  89.39103       2.879110  -1.556259      2.137119  
1 1 1 -10 26 9  o 60.38842 0.7880774 36.49358       0.9513410 35.74307       1.320305  37.30397       1.371981  -1.289097      1.576155  
1 1 1 -10 26 10 o 8.735384 1.534666  0.7966492      0.2672413 0.8497480      0.3830591 0.7462988      0.3730136 0.5569439      3.069333  
1 1 1 -10 26 11 o 88.46696 1.022813  78.45095       1.809630  78.99281       2.573390  77.92086       2.545248  0.6034622      2.045625  
1 1 1 -10 26 12 o 42.29170 0.6971120 17.90365       0.5895934 17.63258       0.8279213 18.18257       0.8398281 -0.6495285     1.394224  
1 1 1 -10 26 13 o 60.17741 0.7930506 36.16845       0.9527383 34.69219       1.300376  37.87923       1.399870  -2.641308      1.586101  
1 1 1 -10 26 14 o 18.52624 0.8618773 3.435216       0.3184820 3.796167       0.4584307 3.098490       0.4427802 1.881773       1.723755  
1 1 1 -10 26 15 o 51.61545 0.7417681 26.67271       0.7656467 27.16704       1.092088  26.19487       1.073722  0.9405212      1.483536  
1 1 1 -10 26 16 o 39.18975 0.6950974 15.34104       0.5441244 16.38990       0.7908275 14.39811       0.7498248 2.538555       1.390195  
1 1 1 -10 26 17 o 41.87551 0.7063999 17.55701       0.5915325 17.98154       0.8416943 17.14270       0.8315054 1.000900       1.412800  
1 1 1 -10 26 18 o 73.54625 0.8977239 53.63226       1.310598  58.89717       2.008471  49.72803       1.729573  6.208221       1.795448  
1 1 1 -10 26 19 o 33.20633 0.7066505 11.00498       0.4676928 9.786903       0.6428895 12.37434       0.6816455 -3.893152      1.413301  
1 1 1 -10 26 20 o 74.06731 0.9753454 55.14076       1.440882  59.38006       2.027507  50.81499       2.048080  5.784050       1.950691  
1 1 1 -10 26 21 o 39.90516 0.9043370 15.92595       0.6663548 15.86580       0.8003388 16.06185       1.203048  -0.2073936     1.808674  
1 1 1 -10 26 22 o 85.86410 1.451500  73.86217       2.483765  70.28970       3.346196  78.24547       3.706523  -4.574753      2.903000  
1 1 1 -10 26 23 o 51.58002 1.108059  26.69505       1.142613  27.27614       1.644678  26.15292       1.588579  1.081642       2.216117  
1 1 1 -10 26 24 o 72.08898 1.295017  51.76258       1.855044  48.09726       2.458896  56.60449       2.826131  -5.843460      2.590034  
1 1 1 -10 26 25 o 40.14905 1.084442  16.17065       0.8703603 15.59698       1.209443  16.78686       1.253489  -1.475861      2.168883  
1 1 1 -10 26 26 o 49.16462 1.107756  24.18143       1.087001  26.19264       1.596083  22.44164       1.484481  3.798618       2.215512  
1 1 1 -10 26 27 o 70.67006 1.286640  50.25769       1.818521  50.49104       2.571067  50.02408       2.572489  0.3306351      2.573281  
1 1 1 -10 26 28 o 11.47051 2.106316  1.390923       0.4873456 1.327607       0.7167780 1.445356       0.6645976 -0.4577093     4.212632  
1 1 1 -10 26 29 o 79.79630 1.264479  64.34416       1.990357  62.39895       3.053927  65.78052       2.624259  -2.194908      2.528959  
1 1 1 -10 26 30 o 18.35604 1.224469  3.218722       0.3984409 3.764634       0.7962569 3.036371       0.4602003 1.924425       2.448938  
1 1 1 -10 26 31 o 44.11348 0.9363778 19.35273       0.7532553 19.96625       1.397604  19.10155       0.8942519 0.9118500      1.872756  
1 1 1 -10 26 32 o 21.78975 1.165341  4.985223       0.4458580 4.331711       0.8398497 5.241681       0.5261184 -2.142704      2.330681  
1 1 1 -10 26 33 o 41.56580 1.474103  18.64008       1.068728  14.94051       1.982956  20.15465       1.268771  -6.440239      2.948206  
1 1 1 -10 26 34 o 18.62674 1.861014  2.868995       0.5538081 4.740202       1.370750  2.503973       0.6054195 5.750074       3.722028  
1 1 1 -10 26 35 o 6.333201 1.713232  0.2230004      0.3291465 -0.2026577     0.5192575 0.5089104      0.4255661 -1.956427      3.426464  
1 1 1 -10 26 36 o 38.30033 0.7642115 14.72391       0.5842982 14.52903       0.8495995 14.89882       0.8048594 -0.4889832     1.528423  
1 1 1 -10 26 37 f 56.58607 0.8240606 32.13585       0.9320723 32.23893       1.342033  32.03980       1.295497  0.1685028      1.648121  
1 1 1 -10 26 38 o 48.10525 0.7975377 23.24622       0.7661050 22.78550       1.108607  23.66734       1.059905  -0.9243317     1.595075  
1 1 1 -10 26 39 o 29.36002 0.8377132 8.580324       0.4853160 9.112282       0.7598432 8.213790       0.6307300 1.506767       1.675426  
1 1 1 -10 26 40 o 27.21188 0.8756306 7.506036       0.4710349 6.926946       0.7054939 7.971819       0.6327201 -1.933897      1.751261  
1 1 1 -10 26 41 o 45.12944 0.8181114 20.46623       0.7343960 20.33005       1.095328  20.57745       0.9898492 -0.2935219     1.636223  
1 1 1 -10 26 42 o 13.43533 1.658424  1.661906       0.4114760 2.540462       0.7582094 1.295137       0.4898929 4.700716       3.316849  
1 1 1 -10 26 43 o 52.25161 0.9258148 27.74480       0.9494092 25.89857       1.464431  29.08341       1.246968  -3.097832      1.851630  
1 1 1 -10 26 44 o 25.08160 3.407555  0.000000       0.000000  ?              ?         6.544323       1.709339  ?              ?         
1 1 1 -10 27 1  o 75.90569 0.9144704 57.74652       1.388242  58.20979       1.970269  57.28979       1.956345  0.6047745      1.828941  
1 1 1 -10 27 2  o 98.66563 1.116704  97.48631       2.200401  101.1119       3.218779  94.30547       3.014890  3.427361       2.233408  
1 1 1 -10 27 3  o 54.10218 0.7447829 29.04558       0.8013783 26.87613       1.066540  31.85850       1.214453  -4.594063      1.489566  
1 1 1 -10 27 4  o 38.59384 0.6765839 14.90373       0.5220491 15.45842       0.7483102 14.37778       0.7286598 1.398750       1.353168  
1 1 1 -10 27 5  o 91.27324 1.049293  83.55461       1.915432  83.38306       2.702243  83.72785       2.715465  -0.1875610     2.098587  
1 1 1 -10 27 6  o 20.20252 0.7857034 4.089574       0.3173400 4.148446       0.4446813 4.028478       0.4530075 0.2975388      1.571407  
1 1 1 -10 27 7  f 58.94966 0.7816761 34.79348       0.9212940 34.24317       1.283328  35.37869       1.323409  -0.9601097     1.563352  
1 1 1 -10 27 8  o 54.53367 0.7551516 29.74516       0.8228988 28.85043       1.135012  30.73663       1.194797  -1.724987      1.510303  
1 1 1 -10 27 9  o 14.48518 1.001880  2.104345       0.2902143 2.128313       0.4089681 2.080034       0.4118977 0.1669407      2.003760  
1 1 1 -10 27 10 o 74.75913 0.9082717 55.84984       1.355095  53.56519       1.844154  58.53117       1.997846  -3.307266      1.816543  
1 1 1 -10 27 11 o 19.44101 0.8471655 3.779487       0.3286585 4.153484       0.4757692 3.438116       0.4545436 1.838007       1.694331  
1 1 1 -10 27 12 o 95.67032 1.093120  91.81167       2.090919  90.46941       2.913152  93.23787       3.002902  -1.436714      2.186239  
1 1 1 -10 27 13 o 15.47006 0.9920751 2.400655       0.3066359 2.542383       0.4360860 2.262053       0.4312517 0.9055386      1.984150  
1 1 1 -10 27 14 o 70.81329 0.8759590 50.25935       1.240588  50.40056       1.756020  50.11863       1.752898  0.1987839      1.751918  
1 1 1 -10 27 15 o 52.63293 0.7525533 27.73243       0.7919363 28.61238       1.135625  26.89940       1.104939  1.624836       1.505107  
1 1 1 -10 27 16 o 56.51913 0.7760778 31.95486       0.8763832 30.98124       1.206837  33.04112       1.274735  -1.816597      1.552156  
1 1 1 -10 27 17 o 69.48887 0.8718374 48.22199       1.208469  46.05593       1.638359  50.80676       1.789720  -3.403778      1.743675  
1 1 1 -10 27 18 o 27.19019 0.7338543 7.094617       0.3898655 9.643889       0.6240547 5.462786       0.4992891 7.678225       1.467709  
1 1 1 -10 27 19 f 43.63610 0.7135931 18.71190       0.6163651 21.75208       0.9588019 16.57066       0.8046618 5.924149       1.427186  
1 1 1 -10 27 20 o 27.11952 0.7263764 7.349356       0.3925899 7.580070       0.5838169 7.158909       0.5304272 0.7717934      1.452753  
1 1 1 -10 27 21 o 81.31677 0.9718346 65.62095       1.568744  60.74752       2.070353  72.19118       2.403903  -6.995842      1.943669  
1 1 1 -10 27 22 o 47.17024 0.7346811 22.29537       0.6928536 21.52109       0.9762253 23.08123       0.9835014 -1.653042      1.469362  
1 1 1 -10 27 23 o 18.31741 0.9137859 3.287556       0.3298872 4.200042       0.5083535 2.623762       0.4335797 4.293604       1.827572  
1 1 1 -10 27 24 o 23.01447 0.8057606 5.224124       0.3677915 6.043671       0.5655642 4.623554       0.4841464 3.076361       1.611521  
1 1 1 -10 27 25 o 17.79142 1.500352  3.213140       0.5304242 2.917964       0.7696673 3.480141       0.7320145 -1.587629      3.000705  
1 1 1 -10 27 26 o 20.73809 0.9032188 4.406323       0.3596994 2.967159       0.5030198 5.912278       0.5145600 -7.099321      1.806438  
1 1 1 -10 27 27 o 44.43668 0.7417727 19.78875       0.6585702 18.60774       0.9235193 21.01072       0.9394015 -2.702103      1.483545  
1 1 1 -10 27 28 o 28.72043 0.7950066 8.287833       0.4473685 6.224683       0.6150941 10.60495       0.6518540 -7.621468      1.590013  
1 1 1 -10 27 29 o 12.76579 1.390706  1.801160       0.3209408 1.124689       0.4874411 2.318847       0.4264138 -4.858042      2.781412  
1 1 1 -10 27 30 o 29.33083 1.076555  8.794570       0.6191342 6.946246       0.8885865 10.53856       0.8631439 -6.128304      2.153110  
1 1 1 -10 27 31 o 25.92622 1.051304  6.584788       0.5371791 7.826892       0.8531334 5.768847       0.6914611 3.939184       2.102608  
1 1 1 -10 27 32 o 27.49583 0.7923197 7.613595       0.4339593 7.100974       0.6278540 8.082496       0.6004828 -1.788670      1.584639  
1 1 1 -10 27 33 o 14.35058 1.222417  2.105609       0.3435811 1.899492       0.5271643 2.257821       0.4530155 -1.264488      2.444833  
1 1 1 -10 27 34 o 84.01274 1.015212  70.79807       1.703325  67.93831       2.332991  74.06266       2.492658  -3.614494      2.030423  
1 1 1 -10 27 35 o 8.893926 1.794194  0.8427466      0.3422515 0.5829992      0.5350483 1.022631       0.4452608 -1.905340      3.588388  
1 1 1 -10 27 36 o 67.73695 0.8935617 46.07215       1.209683  46.60365       1.748156  45.58382       1.675647  0.7396927      1.787123  
1 1 1 -10 27 37 o 31.48076 0.8053500 9.943171       0.5045206 10.02412       0.7534786 9.877380       0.6792765 0.2198505      1.610700  
1 1 1 -10 27 38 o 45.65713 0.7883699 20.94590       0.7191636 20.34983       1.030808  21.51118       1.003830  -1.276501      1.576740  
1 1 1 -10 27 39 o 32.94483 0.8440644 10.99756       0.5483599 8.872659       0.7738309 13.14087       0.7771759 -6.477182      1.688129  
1 1 1 -10 27 40 o 11.62116 1.626932  1.381534       0.3594209 1.660716       0.5727646 1.200186       0.4616240 1.902564       3.253864  
1 1 1 -10 27 41 o 28.81370 0.8754996 8.437535       0.4989984 7.442740       0.7314975 9.303361       0.6824350 -3.239418      1.750999  
1 1 1 -10 27 42 o 34.83875 2.585026  0.000000       0.000000  ?              ?         12.41843       1.801181  ?              ?         
1 1 1 -10 28 1  o 78.06630 0.9360708 61.10099       1.461376  61.93950       2.083937  60.28968       2.049879  1.053131       1.872142  
1 1 1 -10 28 2  o 28.76117 0.6813589 8.278602       0.3917682 8.102578       0.5444583 8.467591       0.5641542 -0.6330738     1.362718  
1 1 1 -10 28 3  o 6.579681 1.548593  0.4041060      0.2402386 0.3152760      0.3298233 0.5044958      0.3506276 -1.052535      3.097187  
1 1 1 -10 28 4  f 28.24050 0.6913088 7.962411       0.3878906 9.310959       0.5655546 6.764597       0.5330112 4.505882       1.382618  
1 1 1 -10 28 5  o 24.45333 0.7177745 5.993515       0.3507885 6.167097       0.4919833 5.814014       0.5003009 0.7226105      1.435549  
1 1 1 -10 28 6  o 29.58878 0.6974833 8.682740       0.4093556 10.42644       0.6099225 7.253449       0.5522038 5.357378       1.394967  
1 1 1 -10 28 7  o 37.72048 0.6856560 14.24824       0.5172330 14.15346       0.7265838 14.34562       0.7364721 -0.2539597     1.371312  
1 1 1 -10 28 8  o 29.17612 0.7033923 8.464871       0.4073317 10.07382       0.6020523 7.106655       0.5531569 5.081081       1.406785  
1 1 1 -10 28 9  o 42.77621 0.6991685 18.13001       0.5948250 16.40654       0.7925434 20.35303       0.9001042 -4.604446      1.398337  
1 1 1 -10 28 10 f 32.78259 0.6893504 10.75405       0.4517731 10.42027       0.6279046 11.11229       0.6505018 -1.053692      1.378701  
1 1 1 -10 28 11 o 32.14094 0.6952680 10.31278       0.4460934 9.515018       0.6126081 11.21331       0.6508718 -2.638863      1.390536  
1 1 1 -10 28 12 o 60.61363 0.8019486 36.81517       0.9721184 36.52447       1.365419  37.11397       1.384343  -0.4844971     1.603897  
1 1 1 -10 28 13 o 43.78973 0.7107788 19.20027       0.6223454 18.85904       0.8685067 19.56041       0.8922315 -0.7988281     1.421558  
1 1 1 -10 28 14 o 49.78172 0.7366640 24.81705       0.7332548 25.32570       1.051851  24.33619       1.022720  0.9912453      1.473328  
1 1 1 -10 28 15 o 33.69378 0.7131029 11.25433       0.4778343 9.850883       0.6414313 13.00435       0.7162642 -4.672964      1.426206  
1 1 1 -10 28 16 o 48.00600 0.7398085 23.04338       0.7093850 24.01270       1.035986  22.18768       0.9733819 1.894932       1.479617  
1 1 1 -10 28 17 o 34.41366 0.7176757 11.77734       0.4920647 10.59589       0.6650122 13.20684       0.7314987 -3.787277      1.435351  
1 1 1 -10 28 18 f 73.10458 0.8995602 53.59939       1.315088  53.99602       1.876673  53.21669       1.843405  0.5290375      1.799120  
1 1 1 -10 28 19 o 14.85417 1.171908  2.404433       0.3078977 1.338578       0.4456682 3.377704       0.4258722 -7.001540      2.343816  
1 1 1 -10 28 20 o 6.127295 1.659699  0.2467233      0.2830372 0.3403702      0.4302859 0.1752996      0.3757784 0.9431615      3.319398  
1 1 1 -10 28 21 o 62.15622 0.8255876 38.69897       1.025791  37.48204       1.423828  40.01225       1.479128  -2.029057      1.651175  
1 1 1 -10 28 22 o 84.34009 1.002167  71.26679       1.687692  73.99581       2.473737  68.89049       2.308351  3.003029       2.004333  
1 1 1 -10 28 23 o 14.57159 1.143663  2.093599       0.3300706 2.493359       0.5092444 1.803989       0.4334445 2.352825       2.287326  
1 1 1 -10 28 24 o 59.03271 0.8099571 34.83534       0.9541341 36.50206       1.407724  33.41903       1.297683  2.598209       1.619914  
1 1 1 -10 28 25 o 23.34489 0.8408604 5.512862       0.3889475 4.751320       0.5583096 6.230973       0.5421559 -3.171146      1.681721  
1 1 1 -10 28 26 o 12.50481 1.560654  1.643094       0.3383342 1.538078       0.6392921 1.683951       0.3987548 -0.8742647     3.121309  
1 1 1 -10 28 27 o 38.75285 0.9821271 14.97810       0.7550897 15.92022       1.156384  14.27782       0.9969764 2.092381       1.964254  
1 1 1 -10 28 28 o 17.62447 1.111010  3.116701       0.3905364 3.017070       0.5296419 3.235415       0.5781436 -0.6099682     2.222020  
1 1 1 -10 28 29 o 27.61201 0.7739617 7.664913       0.4263866 7.177835       0.6097816 8.130916       0.5964431 -1.727661      1.547923  
1 1 1 -10 28 30 o 33.67632 0.7658376 11.39286       0.5146916 10.55623       0.7292842 12.22308       0.7264914 -2.475193      1.531675  
1 1 1 -10 28 31 o 18.63560 0.9950861 3.618691       0.3569484 2.649455       0.5259292 4.446448       0.4860310 -4.828497      1.990172  
1 1 1 -10 28 32 o 39.42120 0.7505190 15.48699       0.5889713 16.61508       0.8864030 14.59524       0.7880988 2.547440       1.501038  
1 1 1 -10 28 33 o 11.94978 1.463948  1.409284       0.3356155 1.923788       0.5344259 1.074246       0.4312608 3.694713       2.927897  
1 1 1 -10 28 34 o 74.89514 0.9459677 56.39383       1.416764  56.38034       2.020630  56.40688       1.987008  -0.2445221E-01 1.891935  
1 1 1 -10 28 35 o 45.68821 0.7835147 20.97923       0.7150896 20.02201       1.018672  21.90921       1.004065  -2.067860      1.567029  
1 1 1 -10 28 36 f 26.67787 0.8463908 7.073681       0.4471445 7.668028       0.6923302 6.648344       0.5856811 1.891125       1.692782  
1 1 1 -10 28 37 o 47.48816 0.7915940 22.63124       0.7507198 22.86170       1.094181  22.42628       1.031910  0.4470749      1.583188  
1 1 1 -10 28 38 o 69.65257 0.9186186 48.80396       1.279540  48.40892       1.818448  49.19135       1.800766  -0.5656509     1.837237  
1 1 1 -10 28 39 o 12.31137 1.582798  1.550614       0.3721566 1.650872       0.6001627 1.487980       0.4743697 0.3893003      3.165597  
1 1 1 -10 28 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 29 1  o 65.65846 0.8381060 42.82521       1.093708  39.85797       1.451341  46.72482       1.663812  -5.205788      1.676212  
1 1 1 -10 29 2  o 98.47110 1.122546  97.22794       2.207278  94.23526       3.021250  100.6539       3.232578  -3.228096      2.245092  
1 1 1 -10 29 3  f 37.68953 0.6894780 14.15677       0.5183024 15.62181       0.7632332 12.90294       0.7060792 3.601795       1.378956  
1 1 1 -10 29 4  o 77.07092 0.9302575 59.44186       1.431205  57.33828       1.952845  61.88279       2.103613  -2.929993      1.860515  
1 1 1 -10 29 5  o 71.94113 0.8894277 51.38615       1.271419  56.43114       1.937567  47.57112       1.684908  6.128502       1.778855  
1 1 1 -10 29 6  o 18.20188 0.8619393 3.345773       0.3097146 3.993615       0.4404644 2.712214       0.4355815 3.519424       1.723879  
1 1 1 -10 29 7  o 65.88785 0.8412634 43.17455       1.103238  47.12773       1.663119  40.06799       1.474315  5.336540       1.682527  
1 1 1 -10 29 8  o 75.16823 0.9162578 56.49908       1.374316  54.15782       1.868393  59.25915       2.028633  -3.373894      1.832516  
1 1 1 -10 29 9  o 66.05175 0.8455460 43.62719       1.114891  41.91802       1.520938  45.61217       1.639069  -2.783127      1.691092  
1 1 1 -10 29 10 o 29.68773 0.7188987 8.824463       0.4266930 8.539901       0.5945639 9.126665       0.6127153 -0.9864788     1.437797  
1 1 1 -10 29 11 o 79.36473 0.9519055 63.12577       1.509544  61.47028       2.081081  64.96403       2.192945  -2.186722      1.903811  
1 1 1 -10 29 12 o 40.48668 0.7104284 16.42167       0.5752276 16.62280       0.8182876 16.22519       0.8087848 0.4901161      1.420857  
1 1 1 -10 29 13 f 89.61083 1.043377  80.63581       1.869939  80.91003       2.651832  80.36460       2.637215  0.3022614      2.086755  
1 1 1 -10 29 14 o 29.06143 0.7443774 8.433252       0.4307755 7.388252       0.5916626 9.612109       0.6284143 -3.822407      1.488755  
1 1 1 -10 29 15 o 24.97376 0.7800418 6.246128       0.3892903 6.615252       0.5589377 5.898385       0.5425091 1.433475       1.560084  
1 1 1 -10 29 16 o 32.37080 0.7264376 10.49707       0.4699653 11.06444       0.6712713 9.951612       0.6581845 1.717541       1.452875  
1 1 1 -10 29 17 o 43.07965 0.7283867 18.58503       0.6273246 19.09284       0.9027617 18.11084       0.8723609 1.136559       1.456773  
1 1 1 -10 29 18 o 34.69246 0.7036731 12.07811       0.4872991 11.24818       0.6907278 12.90047       0.6875729 -2.381664      1.407346  
1 1 1 -10 29 19 o 19.17513 0.8667870 3.631199       0.3294645 4.129992       0.5090426 3.271634       0.4321980 2.228443       1.733574  
1 1 1 -10 29 20 o 57.13623 0.7910145 32.71315       0.9036624 31.88232       1.260709  33.59111       1.295964  -1.491230      1.582029  
1 1 1 -10 29 21 o 55.82196 0.7923204 31.20578       0.8840077 29.92955       1.225412  32.59064       1.276504  -2.377335      1.584641  
1 1 1 -10 29 22 o 63.69812 0.9091199 40.89144       1.151783  38.89536       1.695551  42.60172       1.569480  -2.927795      1.818240  
1 1 1 -10 29 23 f 7.995811 1.854730  0.6209319      0.3685653 0.1331644      0.6080303 0.9042569      0.4634056 -2.561883      3.709460  
1 1 1 -10 29 24 o 23.32360 1.073406  5.517256       0.4910557 5.217177       0.7619728 5.730413       0.6422019 -1.122574      2.146811  
1 1 1 -10 29 25 o 9.134493 1.688126  0.8724359      0.3097547 0.9176347      0.4712060 0.8380412      0.4110488 0.4154510      3.376252  
1 1 1 -10 29 26 o 54.14021 0.7837722 29.35536       0.8476248 30.29394       1.236308  28.52283       1.164369  1.625698       1.567544  
1 1 1 -10 29 27 o 50.76428 0.7728614 25.75711       0.7832785 24.03005       1.072231  27.73339       1.146990  -3.637173      1.545723  
1 1 1 -10 29 28 o 40.51009 0.7466826 16.46611       0.6040711 15.34130       0.8495590 17.61630       0.8590918 -2.806618      1.493365  
1 1 1 -10 29 29 f 24.75495 0.8261182 6.207464       0.4051551 5.572136       0.5944173 6.758732       0.5536990 -2.403242      1.652236  
1 1 1 -10 29 30 o 29.32409 0.7899713 8.663721       0.4605863 7.593822       0.6518357 9.730550       0.6509001 -3.643446      1.579943  
1 1 1 -10 29 31 o 15.85179 1.131928  2.487082       0.3553303 2.866910       0.5516847 2.217806       0.4645105 2.026685       2.263856  
1 1 1 -10 29 32 o 30.21253 0.8014774 9.135766       0.4822665 9.471874       0.7208117 8.863377       0.6488982 0.9941406      1.602955  
1 1 1 -10 29 33 o 72.56635 0.9262907 52.85922       1.343236  50.92771       1.854259  54.99202       1.948488  -2.781174      1.852581  
1 1 1 -10 29 34 o 57.53406 0.8284096 33.20584       0.9526063 31.71305       1.322008  34.81804       1.373865  -2.688648      1.656819  
1 1 1 -10 29 35 o 38.84395 0.7832967 15.10689       0.6063107 13.38551       0.8351954 17.02483       0.8815899 -4.675919      1.566593  
1 1 1 -10 29 36 o 40.77326 0.7915399 16.74371       0.6437145 15.66542       0.9229745 17.76497       0.8982294 -2.579590      1.583080  
1 1 1 -10 29 37 o 23.88282 0.9392347 5.724285       0.4417782 5.820770       0.6900632 5.657276       0.5750758 0.3159523      1.878469  
1 1 1 -10 29 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 30 1  o 44.98676 0.7146612 20.25010       0.6425138 21.27484       0.9288885 19.31005       0.8896825 2.179676       1.429322  
1 1 1 -10 30 2  o 10.66948 1.352726  1.254764       0.2720238 1.999349       0.3850487 0.5128708      0.3843518 6.886969       2.705452  
1 1 1 -10 30 3  o 32.50128 1.011139  10.89738       0.5611232 11.18134       0.6481101 10.04742       1.121309  1.810242       2.022278  
1 1 1 -10 30 4  o 11.38726 2.325831  1.329870       0.5723563 0.9400454      0.7928064 1.754204       0.8271537 -2.944095      4.651663  
1 1 1 -10 30 5  o 40.49694 1.167915  16.44627       0.9437370 18.11369       1.371046  14.94487       1.300999  3.900620       2.335830  
1 1 1 -10 30 6  o 32.24115 0.9757594 11.03095       0.5712284 8.925115       0.9968214 12.06061       0.6970277 -4.902851      1.951519  
1 1 1 -10 30 7  o 22.72453 0.7897233 5.171944       0.3587332 5.354200       0.5174592 5.003297       0.4977645 0.7698231      1.579447  
1 1 1 -10 30 8  f 49.49638 0.7451898 24.43285       0.7356579 22.91856       0.9963654 26.24777       1.090789  -3.352848      1.490380  
1 1 1 -10 30 9  o 88.49149 1.037210  78.61087       1.834890  77.23415       2.550036  80.08900       2.642275  -1.599106      2.074419  
1 1 1 -10 30 10 f 43.75747 0.7248994 19.10122       0.6329186 17.83086       0.8607664 20.59649       0.9338588 -3.152428      1.449799  
1 1 1 -10 30 11 o 60.15197 0.8115661 36.25493       0.9759801 37.30523       1.403519  35.27153       1.358091  1.685074       1.623132  
1 1 1 -10 30 12 o 67.18512 0.8619280 45.26223       1.157906  44.59444       1.616441  45.96603       1.659459  -1.015305      1.723856  
1 1 1 -10 30 13 o 51.69872 0.7648746 26.78890       0.7907506 26.56026       1.107350  27.02681       1.129562  -0.4487000     1.529749  
1 1 1 -10 30 14 o 27.08338 0.7709730 7.347636       0.4169835 6.802006       0.5811163 7.926754       0.5986834 -2.074415      1.541946  
1 1 1 -10 30 15 o 36.50996 0.7348598 13.21166       0.5330543 15.51837       0.7994586 11.36527       0.7152554 5.678074       1.469720  
1 1 1 -10 30 16 o 90.63544 1.060696  82.40150       1.919856  79.73167       2.629498  85.44963       2.809617  -3.123840      2.121393  
1 1 1 -10 30 17 f 65.59281 0.8583789 43.02569       1.123893  45.56815       1.653469  40.84224       1.532288  3.585217       1.716758  
1 1 1 -10 30 18 f 29.33082 0.8070362 8.812177       0.4634658 7.200660       0.6829832 10.18763       0.6309804 -5.098921      1.614072  
1 1 1 -10 30 19 o 30.23637 0.9691241 9.269367       0.5800269 7.903491       0.8319372 10.56129       0.8091032 -4.398876      1.938248  
1 1 1 -10 30 20 f 19.77041 1.199063  4.035943       0.4615708 3.352091       0.6981571 4.566941       0.6152033 -3.089556      2.398125  
1 1 1 -10 30 21 o 14.73325 1.195698  2.189723       0.3517171 2.272107       0.4895613 2.101842       0.5056343 0.5812082      2.391396  
1 1 1 -10 30 22 o 38.50936 0.7321533 14.75379       0.5613697 16.11359       0.8441524 13.67562       0.7516653 3.153416       1.464307  
1 1 1 -10 30 23 o 49.06550 0.7630478 24.11407       0.7482922 23.11315       1.037079  25.20109       1.080762  -2.121685      1.526096  
1 1 1 -10 30 24 o 76.95340 0.9492131 59.33234       1.457898  62.02629       2.146923  57.02705       1.986023  3.219681       1.898426  
1 1 1 -10 30 25 o 17.86064 0.9764086 3.188172       0.3468797 3.377612       0.5239961 3.040392       0.4628065 0.9324074      1.952817  
1 1 1 -10 30 26 o 24.55770 0.8174672 6.027466       0.3997842 6.322943       0.5989040 5.789985       0.5369214 1.075022       1.634934  
1 1 1 -10 30 27 o 33.43905 0.7668628 11.17915       0.5107955 11.64700       0.7632900 10.79970       0.6874029 1.255165       1.533726  
1 1 1 -10 30 28 f 35.37760 0.7585176 12.58383       0.5354573 11.67656       0.7606779 13.47492       0.7538700 -2.542778      1.517035  
1 1 1 -10 30 29 o 14.45044 1.325519  2.275486       0.3471343 1.483667       0.5206826 2.909024       0.4657429 -5.110240      2.651038  
1 1 1 -10 30 30 o 61.13280 0.8437583 37.53917       1.031571  37.42139       1.465121  37.65496       1.452682  -0.1933556     1.687517  
1 1 1 -10 30 31 o 46.13861 0.7764308 21.30058       0.7145890 22.29084       1.057650  20.46887       0.9692850 1.958878       1.552862  
1 1 1 -10 30 32 o 49.03221 0.7876699 24.12491       0.7715151 24.46568       1.121903  23.81916       1.062679  0.6482468      1.575340  
1 1 1 -10 30 33 o 38.33784 0.7735762 14.77800       0.5921498 13.81624       0.8384221 15.73520       0.8364340 -2.503075      1.547152  
1 1 1 -10 30 34 o 41.01397 0.7833602 16.88509       0.6414945 15.57828       0.8955905 18.26199       0.9192942 -3.267124      1.566720  
1 1 1 -10 30 35 o 24.63025 2.885756  0.000000       0.000000  ?              ?         6.242835       1.421538  ?              ?         
1 1 1 -10 31 1  o 63.17988 0.8326772 39.82880       1.048295  37.59755       1.410599  42.58113       1.566680  -3.921791      1.665354  
1 1 1 -10 31 2  o 37.29804 0.7125162 13.79777       0.5286599 12.42556       0.7057000 15.55269       0.7980679 -4.180923      1.425032  
1 1 1 -10 31 3  o 64.23379 0.8401630 41.24259       1.076571  39.32790       1.460184  43.52300       1.593546  -3.246593      1.680326  
1 1 1 -10 31 4  o 47.83018 0.7412525 22.92131       0.7088245 23.74920       1.016987  22.13919       0.9884790 1.679485       1.482505  
1 1 1 -10 31 5  o 68.47392 0.8715187 47.04599       1.193333  46.50053       1.669491  47.61583       1.706368  -0.8089828     1.743037  
1 1 1 -10 31 6  f 69.25719 0.8774368 48.10456       1.214809  49.35855       1.751063  46.94099       1.686740  1.735802       1.754874  
1 1 1 -10 31 7  o 26.83860 0.7544721 7.220021       0.4048794 7.445618       0.5784807 7.003392       0.5668678 0.8223705      1.508944  
1 1 1 -10 31 8  o 44.59937 0.7303036 19.89980       0.6507224 18.92856       0.8962223 20.98271       0.9463431 -2.296627      1.460607  
1 1 1 -10 31 9  o 26.78656 0.7646453 7.187324       0.4085153 7.954109       0.5886914 6.475115       0.5673550 2.757893       1.529291  
1 1 1 -10 31 10 o 39.72783 0.8011110 16.00445       0.6293203 17.48331       0.8558226 14.26331       0.9286138 4.062637       1.602222  
1 1 1 -10 31 11 o 50.42419 1.004559  26.03671       0.9304338 26.82799       1.123218  24.30647       1.660927  2.592205       2.009119  
1 1 1 -10 31 12 o 31.06924 1.234138  9.725686       0.7658274 10.41300       1.092798  9.062371       1.073545  2.169415       2.468276  
1 1 1 -10 31 13 o 76.10016 1.393890  58.47337       2.121387  59.27727       3.004595  57.67425       2.995614  1.051025       2.787779  
1 1 1 -10 31 14 o 24.57163 1.687666  5.885152       0.7767255 6.804010       1.405452  5.481105       0.9319823 2.551567       3.375331  
1 1 1 -10 31 15 f 93.95142 3.102774  0.000000       0.000000  ?              ?         90.38982       5.830200  ?              ?         
1 1 1 -10 31 16 o 16.16090 1.923093  0.000000       0.000000  ?              ?         2.635951       0.6215782 ?              ?         
1 1 1 -10 31 17 o 29.04404 1.001540  8.433169       0.5799240 7.585414       0.7905455 9.420904       0.8533199 -3.148600      2.003080  
1 1 1 -10 31 18 f 48.62572 0.7577702 23.72036       0.7367366 23.13826       1.043876  24.29808       1.039940  -1.193146      1.515540  
1 1 1 -10 31 19 o 22.91060 0.8354223 5.316439       0.3790556 4.575860       0.5452440 6.009169       0.5273357 -3.130825      1.670845  
1 1 1 -10 31 20 o 62.05825 0.8377383 38.65119       1.039646  37.88347       1.458466  39.44431       1.482388  -1.253689      1.675477  
1 1 1 -10 31 21 o 33.85943 0.7453038 11.30820       0.5004781 13.27333       0.7674801 9.854282       0.6601498 5.033047       1.490608  
1 1 1 -10 31 22 f 17.91841 0.9778475 3.217325       0.3493991 3.361766       0.5183493 3.097048       0.4730077 0.7298222      1.955695  
1 1 1 -10 31 23 o 30.45057 0.7636053 9.130776       0.4602292 10.56138       0.7164400 8.125658       0.6005208 3.981392       1.527211  
1 1 1 -10 31 24 o 23.89047 0.8411171 5.710179       0.3983679 5.894759       0.6090336 5.572155       0.5266564 0.6601753      1.682234  
1 1 1 -10 31 25 o 19.42842 0.9571140 3.816387       0.3676039 3.654996       0.5574651 3.940561       0.4889817 -0.7494946     1.914228  
1 1 1 -10 31 26 o 32.70471 0.7690280 10.75921       0.5018839 10.12033       0.7183458 11.36848       0.7014962 -1.911057      1.538056  
1 1 1 -10 31 27 o 28.38111 0.8062296 7.991845       0.4539371 8.834726       0.6980829 7.374329       0.5975139 2.554705       1.612459  
1 1 1 -10 31 28 o 51.49304 0.7902957 26.54413       0.8119041 27.70963       1.199623  25.55903       1.102880  2.070602       1.580591  
1 1 1 -10 31 29 f 12.90735 1.490597  1.855184       0.3503555 1.150606       0.5326339 2.392532       0.4651494 -5.001620      2.981194  
1 1 1 -10 31 30 o 24.14032 0.9013507 5.992569       0.4252383 4.785484       0.6231880 7.044314       0.5817081 -4.687773      1.802701  
1 1 1 -10 31 31 f 36.99062 0.7854480 13.75891       0.5802464 12.99063       0.8241770 14.51397       0.8170541 -2.060467      1.570896  
1 1 1 -10 31 32 o 10.67204 2.966375  0.000000       0.000000  ?              ?         1.209711       0.6555949 ?              ?         
1 1 1 -10 31 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 32 1  o 21.97535 0.8063395 4.827043       0.3531430 4.288173       0.4847461 5.436485       0.5155119 -2.608208      1.612679  
1 1 1 -10 32 2  o 62.91489 0.8364270 39.55524       1.049396  37.61761       1.419482  41.89056       1.558363  -3.374687      1.672854  
1 1 1 -10 32 3  o 66.02114 0.8606671 43.70351       1.135466  42.61496       1.566956  44.90709       1.647667  -1.723312      1.721334  
1 1 1 -10 32 4  o 65.67055 0.8553854 43.28779       1.123457  43.59582       1.590320  42.98093       1.587300  0.4676971      1.710771  
1 1 1 -10 32 5  o 13.43436 1.130387  1.818137       0.3026627 2.015457       0.4320740 1.628036       0.4240969 1.440274       2.260773  
1 1 1 -10 32 6  o 55.91375 0.7908896 31.29675       0.8834566 32.90015       1.286153  29.86439       1.215621  2.704556       1.581779  
1 1 1 -10 32 7  o 86.49640 1.027345  74.89500       1.771559  71.34848       2.392289  79.20140       2.636151  -4.493782      2.054690  
1 1 1 -10 32 8  o 76.43755 0.9432665 58.61761       1.440800  60.57301       2.090862  56.84951       1.988211  2.417908       1.886533  
1 1 1 -10 32 9  o 33.77100 0.7333798 11.41283       0.4948184 12.03656       0.7192816 10.85245       0.6817812 1.748070       1.466760  
1 1 1 -10 32 10 f 81.28049 1.190314  66.06901       1.836182  68.11184       3.159608  65.02727       2.256302  1.698975       2.380628  
1 1 1 -10 32 11 o 42.73482 0.9575152 18.31398       0.8175128 19.42480       1.186465  17.30990       1.128023  2.463867       1.915030  
1 1 1 -10 32 12 o 73.95631 1.255784  55.12503       1.856624  53.94028       2.578721  56.40013       2.675263  -1.639786      2.511569  
1 1 1 -10 32 13 o 12.32332 1.449055  1.594813       0.3377578 2.119330       0.4813490 1.086066       0.4740579 4.359365       2.898110  
1 1 1 -10 32 14 o 55.68164 0.8012949 31.08866       0.8917281 30.43283       1.233724  31.80610       1.290370  -1.224186      1.602590  
1 1 1 -10 32 15 o 62.50943 1.266341  39.17648       1.578112  43.02430       2.344091  35.98682       2.134218  5.576233       2.532683  
1 1 1 -10 32 16 o 50.61249 0.7801620 25.50605       0.7865705 28.11801       1.177155  23.39914       1.057239  4.643063       1.560324  
1 1 1 -10 32 17 o 29.33585 0.8070401 8.593595       0.4706561 7.354031       0.6429427 10.02478       0.6908532 -4.544231      1.614080  
1 1 1 -10 32 18 o 24.61001 0.8132172 6.077804       0.3976429 6.101739       0.5980418 6.058835       0.5323731 0.7599449E-01  1.626434  
1 1 1 -10 32 19 o 76.33572 0.9498885 58.59674       1.450103  58.65734       2.063722  58.53764       2.038030  0.7305908E-01  1.899777  
1 1 1 -10 32 20 o 22.31780 0.8739871 4.837910       0.3818613 6.518572       0.5994867 3.690392       0.4953576 6.315956       1.747974  
1 1 1 -10 32 21 o 67.12120 0.8813193 45.20000       1.182123  43.45842       1.632093  47.12189       1.714497  -2.712914      1.762639  
1 1 1 -10 32 22 o 60.71223 0.8404180 36.60641       1.013908  33.44577       1.343968  40.78142       1.544650  -6.004044      1.680836  
1 1 1 -10 32 23 o 46.60176 0.7683187 21.81319       0.7156305 21.15256       1.019377  22.45518       1.004887  -1.400127      1.536637  
1 1 1 -10 32 24 o 46.25301 0.7675347 21.47921       0.7097671 21.34789       1.015548  21.60460       0.9923778 -0.2816277     1.535069  
1 1 1 -10 32 25 o 61.87672 0.8516699 38.46619       1.053697  38.89198       1.510576  38.06268       1.470535  0.6619148      1.703340  
1 1 1 -10 32 26 o 57.28015 0.8236437 32.89611       0.9421915 34.26781       1.378662  31.69402       1.290612  2.228455       1.647287  
1 1 1 -10 32 27 o 40.63704 0.7728102 16.49961       0.6259895 17.58391       0.9330529 15.61205       0.8441707 2.409058       1.545620  
1 1 1 -10 32 28 o 46.96436 0.9645641 22.40539       0.8568940 21.54634       1.458708  22.85802       1.058845  -1.488918      1.929128  
1 1 1 -10 32 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 33 1  o 52.35110 0.7762597 27.44737       0.8116660 26.43271       1.113101  28.59950       1.186113  -2.057457      1.552519  
1 1 1 -10 33 2  o 38.05632 0.7282852 14.48293       0.5534446 13.57334       0.7589262 15.51609       0.8088334 -2.544834      1.456570  
1 1 1 -10 33 3  o 79.89108 0.9740633 64.18123       1.556350  64.66422       2.208741  63.70495       2.193360  0.5972366      1.948127  
1 1 1 -10 33 4  o 58.29116 0.8170518 34.09078       0.9521829 33.33901       1.324634  34.89454       1.369675  -1.326607      1.634104  
1 1 1 -10 33 5  o 66.29670 1.026835  44.08226       1.310466  44.75586       2.177972  43.70001       1.640689  0.6821594      2.053671  
1 1 1 -10 33 6  o 31.88264 0.9069184 10.21277       0.5782272 10.10534       0.8100122 10.32440       0.8256867 -0.3405743     1.813837  
1 1 1 -10 33 7  o 39.52989 0.9203371 15.65939       0.7265436 16.64014       1.062230  14.79723       0.9959461 2.318157       1.840674  
1 1 1 -10 33 8  o 24.99755 0.8910438 6.203439       0.4390483 5.863057       0.5679554 6.708896       0.6921059 -1.668232      1.782088  
1 1 1 -10 33 9  o 39.04238 0.7396645 15.28709       0.5772152 16.05215       0.8252612 14.55436       0.8076353 1.915344       1.479329  
1 1 1 -10 33 10 o 66.99080 0.8757851 45.06266       1.172994  46.25502       1.685600  43.94306       1.633361  1.715523       1.751570  
1 1 1 -10 33 11 o 24.62449 0.8363041 6.090692       0.4111778 6.566303       0.5868894 5.632179       0.5762434 1.894760       1.672608  
1 1 1 -10 33 12 f 44.07417 0.7575861 19.49625       0.6677852 19.61021       0.9434036 19.38181       0.9453813 0.2594490      1.515172  
1 1 1 -10 33 13 o 6.370940 1.770078  0.2314170      0.3375607 0.3903680      0.4428964 0.1110303E-01  0.5214247 0.9278092      3.540155  
1 1 1 -10 33 14 o 49.80012 0.7812606 24.87051       0.7776335 24.23643       1.076334  25.56291       1.124742  -1.323441      1.562521  
1 1 1 -10 33 15 o 56.11497 0.8135308 31.49120       0.9110064 33.59538       1.343911  29.70225       1.239169  3.450108       1.627062  
1 1 1 -10 33 16 o 51.06187 0.7879333 26.03144       0.8022076 24.36275       1.083996  28.05184       1.192775  -3.593349      1.575867  
1 1 1 -10 33 17 o 45.35384 0.7709341 20.64436       0.6992269 21.05011       0.9953046 20.24895       0.9825314 0.8810081      1.541868  
1 1 1 -10 33 18 o 39.00445 0.7450344 15.28379       0.5805697 14.79912       0.8315805 15.74466       0.8109090 -1.215614      1.490069  
1 1 1 -10 33 19 o 57.53741 0.8150625 33.24887       0.9376794 33.35573       1.342709  33.14716       1.310052  0.1750145      1.630125  
1 1 1 -10 33 20 f 51.55707 0.7867485 26.66693       0.8106546 27.36649       1.174011  26.02944       1.120723  1.286533       1.573497  
1 1 1 -10 33 21 o 50.00969 0.7867224 24.71110       0.7803886 21.74283       1.028475  28.73934       1.198120  -6.961761      1.573445  
1 1 1 -10 33 22 o 36.96039 0.7658126 13.74136       0.5650401 13.19329       0.8134810 14.25229       0.7854316 -1.438019      1.531625  
1 1 1 -10 33 23 o 62.77728 0.8582898 39.27469       1.072471  36.22263       1.433679  43.15261       1.616051  -5.481022      1.716580  
1 1 1 -10 33 24 o 13.17393 1.711852  1.707922       0.4325541 2.301294       0.7107433 1.358855       0.5451342 3.702395       3.423705  
1 1 1 -10 33 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 34 1  o 25.55141 1.362020  0.000000       0.000000  ?              ?         6.568405       0.6960306 ?              ?         
1 1 1 -10 34 2  o 38.23196 0.8567382 14.74569       0.6517209 15.40574       0.8905746 13.98467       0.9562736 1.871418       1.713476  
1 1 1 -10 34 3  o 14.58574 1.162850  2.184047       0.3248697 1.443868       0.4506830 2.984648       0.4687178 -5.277179      2.325699  
1 1 1 -10 34 4  o 64.27909 0.8594059 41.51253       1.104765  42.17439       1.570148  40.86362       1.554714  1.016541       1.718812  
1 1 1 -10 34 5  o 18.78284 0.9564047 3.541747       0.3570786 3.030351       0.4925792 4.108117       0.5183789 -2.863373      1.912809  
1 1 1 -10 34 6  o 14.65340 1.154408  2.170249       0.3305748 2.813564       0.4826486 1.601790       0.4536999 4.127254       2.308816  
1 1 1 -10 34 7  o 31.60918 0.7610695 10.01837       0.4807804 10.57188       0.6916492 9.500857       0.6687796 1.690136       1.522139  
1 1 1 -10 34 8  o 50.89206 0.7814171 25.85346       0.7927721 24.16451       1.069762  27.91099       1.180732  -3.660671      1.562834  
1 1 1 -10 34 9  o 40.35030 0.7539894 16.34124       0.6084362 16.46631       0.8663475 16.21952       0.8546884 0.3037491      1.507979  
1 1 1 -10 34 10 o 49.34067 1.123136  24.54869       1.064672  24.54564       1.332459  24.55406       1.770634  0.1063995      2.246272  
1 1 1 -10 34 11 o 33.45069 0.7636349 11.22988       0.5107912 11.51327       0.7294922 10.95730       0.7154483 0.8284569      1.527270  
1 1 1 -10 34 12 o 19.39158 0.9681273 3.784714       0.3754489 3.806269       0.5291325 3.762858       0.5328166 0.1127987      1.936255  
1 1 1 -10 34 13 o 11.92335 1.469410  1.542120       0.3342476 0.4768831      0.4559304 2.779859       0.4914617 -9.372200      2.938821  
1 1 1 -10 34 14 o 49.08495 0.7798761 24.19778       0.7655940 24.28446       1.081346  24.11065       1.084086  0.1775780      1.559752  
1 1 1 -10 34 15 f 26.22749 0.8514597 6.917917       0.4464024 7.085439       0.6267663 6.745450       0.6359506 0.6501274      1.702919  
1 1 1 -10 34 16 o 24.67135 0.8635482 6.083127       0.4242527 5.347645       0.5780973 6.941587       0.6245610 -3.220364      1.727096  
1 1 1 -10 34 17 o 11.84766 1.564011  1.471784       0.3560452 0.8405546      0.4872395 2.195066       0.5215585 -5.776608      3.128023  
1 1 1 -10 34 18 o 17.42650 1.143111  2.768814       0.3740885 3.988296       0.6908000 2.262806       0.4449823 4.881607       2.286221  
1 1 1 -10 34 19 o 71.60202 1.594063  51.56160       2.069683  53.67332       3.877854  50.72045       2.447411  1.507507       3.188127  
1 1 1 -10 34 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 35 1  o 46.98634 0.9494377 22.17593       0.8912513 21.37934       1.226079  23.06847       1.297818  -1.780682      1.898875  
1 1 1 -10 35 2  o 11.93393 1.518824  1.484515       0.3519207 1.679722       0.4903755 1.277209       0.5053440 1.891397       3.037648  
1 1 1 -10 35 3  o 25.27970 0.9486584 6.379980       0.4751613 7.725492       0.7038869 5.253500       0.6440518 4.875458       1.897317  
1 1 1 -10 35 4  o 12.03976 1.521829  1.508030       0.3555448 1.753698       0.5024260 1.261598       0.5032074 2.240357       3.043659  
1 1 1 -10 35 5  f 39.21592 0.9326295 15.46052       0.7310580 15.16353       1.013414  15.78276       1.055622  -0.7798691     1.865259  
1 1 1 -10 35 6  f 16.20588 2.446032  0.000000       0.000000  ?              ?         2.680820       0.7928021 ?              ?         
1 1 1 -10 35 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 35 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 35 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -10 35 10 o 39.18409 2.017729  0.000000       0.000000  ?              ?         15.57596       1.581257  ?              ?         
1 1 1 -10 35 11 o 26.87885 2.310973  0.000000       0.000000  ?              ?         7.363428       1.242326  ?              ?         
1 1 1 -10 35 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  0  1  o 178.4173 2.680602  318.7720       9.554342  321.4230       13.64849  316.2246       13.37930  -0.000000      0.000000  
1 1 1 -9  0  2  o 186.1557 2.766934  346.9575       10.28868  351.6399       14.75796  342.5295       14.35135  -0.000000      0.000000  
1 1 1 -9  0  3  o 454.2992 6.723447  2068.290       61.00259  2043.034       84.81454  2095.359       87.80452  -0.000000      0.000000  
1 1 1 -9  0  4  f 307.9892 4.535086  950.1741       27.90377  958.9565       39.88422  941.7543       39.05270  -0.000000      0.000000  
1 1 1 -9  0  5  o 536.3063 7.903371  2851.587       83.84343  3112.660       130.0074  2665.685       109.7059  -0.000000      0.000000  
1 1 1 -9  0  6  o 348.2877 5.126336  1213.526       35.62705  1180.055       48.89735  1251.403       52.01561  -0.000000      0.000000  
1 1 1 -9  0  7  o 516.3425 7.607962  2630.939       77.34887  2917.227       122.4056  2440.633       99.79922  -0.000000      0.000000  
1 1 1 -9  0  8  o 369.3434 5.438961  1357.987       39.89907  1290.169       53.09323  1445.978       60.47663  -0.000000      0.000000  
1 1 1 -9  0  9  o 817.0057 14.96916  6682.543       227.8001  6605.009       275.5586  6849.912       404.8588  -0.000000      0.000000  
1 1 1 -9  0  10 o 48.00291 0.8595841 23.01252       0.8224128 21.95286       1.120340  24.25079       1.211089  -0.000000      0.000000  
1 1 1 -9  0  11 o 510.5391 7.519588  2588.774       76.03503  2796.177       117.0908  2437.548       99.98374  -0.000000      0.000000  
1 1 1 -9  0  12 o 339.2300 4.993025  1153.030       33.84269  1155.556       47.98159  1150.530       47.74089  -0.000000      0.000000  
1 1 1 -9  0  13 o 627.8616 9.277943  3956.814       116.3839  3936.097       165.2948  3977.183       163.8975  -0.000000      0.000000  
1 1 1 -9  0  14 f 29.83270 0.7463405 8.906701       0.4433966 9.446141       0.6491911 8.435032       0.6070436 -0.000000      0.000000  
1 1 1 -9  0  15 o 22.26791 1.032320  4.984133       0.4538561 4.589601       0.6095760 5.474889       0.6798595 -0.000000      0.000000  
1 1 1 -9  0  16 o 445.3304 6.544590  1988.265       58.23391  1987.239       82.27369  1989.297       82.43692  -0.000000      0.000000  
1 1 1 -9  0  17 o 136.4236 2.060880  186.2893       5.614874  183.0667       7.802447  189.7508       8.086427  -0.000000      0.000000  
1 1 1 -9  0  18 o 695.4360 10.25842  4848.895       142.2850  4681.194       194.2890  5042.867       208.9532  -0.000000      0.000000  
1 1 1 -9  0  19 o 118.2173 1.803641  139.5039       4.248795  146.0657       6.289461  133.9957       5.762472  -0.000000      0.000000  
1 1 1 -9  0  20 o 165.1154 2.472062  273.0457       8.154580  271.5897       11.44118  274.5490       11.62567  -0.000000      0.000000  
1 1 1 -9  0  21 o 298.6510 4.403018  893.8457       26.27254  888.6970       36.93414  899.1195       37.37983  -0.000000      0.000000  
1 1 1 -9  0  22 o 254.9325 3.768204  651.1235       19.19063  644.7924       26.83943  657.7461       27.45018  -0.000000      0.000000  
1 1 1 -9  0  23 o 100.9450 1.570227  102.0418       3.166330  100.7910       4.435497  103.3415       4.521473  -0.000000      0.000000  
1 1 1 -9  0  24 o 218.0234 3.232646  476.2303       14.07994  471.6752       19.70858  480.9784       20.12193  -0.000000      0.000000  
1 1 1 -9  0  25 o 96.55420 1.522787  93.36676       2.936960  94.30246       4.196128  92.46815       4.112125  -0.000000      0.000000  
1 1 1 -9  0  26 o 425.8682 6.277365  1819.974       53.35228  1775.528       73.36508  1869.862       77.72672  -0.000000      0.000000  
1 1 1 -9  0  27 o 403.0637 5.942699  1631.783       47.83628  1660.419       68.94070  1605.194       66.43053  -0.000000      0.000000  
1 1 1 -9  0  28 o 43.43787 0.8951710 18.91836       0.7761259 19.32324       1.100396  18.51755       1.094841  -0.000000      0.000000  
1 1 1 -9  0  29 o 128.3989 1.955236  165.1543       5.015577  165.8510       7.133984  164.4733       7.052906  -0.000000      0.000000  
1 1 1 -9  0  30 o 116.2507 1.784353  135.3227       4.142817  133.2596       5.766868  137.5229       5.955331  -0.000000      0.000000  
1 1 1 -9  0  31 o 88.06248 1.404706  77.68733       2.471228  77.57565       3.488604  77.79980       3.501117  -0.000000      0.000000  
1 1 1 -9  0  32 f 14.57821 1.243656  2.214106       0.3534516 2.346097       0.5101556 2.092260       0.4901560 -0.000000      0.000000  
1 1 1 -9  0  33 o 159.2648 2.396571  254.1214       7.623731  257.7260       10.94574  250.7251       10.62459  -0.000000      0.000000  
1 1 1 -9  0  34 o 315.6563 4.665662  1001.135       29.42542  1005.111       41.79993  997.2287       41.43019  -0.000000      0.000000  
1 1 1 -9  0  35 o 49.40524 0.9704652 24.45542       0.9569221 24.95810       1.376649  23.98547       1.331086  -0.000000      0.000000  
1 1 1 -9  0  36 o 11.20438 1.831245  1.439679       0.3564178 1.255506       0.4961976 1.635991       0.5122893 -0.000000      0.000000  
1 1 1 -9  0  37 o 248.9981 3.696787  622.8220       18.39143  624.8381       26.10545  620.8353       25.91443  -0.000000      0.000000  
1 1 1 -9  0  38 o 31.71498 0.9194607 10.09566       0.5803104 10.40306       0.8473656 9.824142       0.7963718 -0.000000      0.000000  
1 1 1 -9  0  39 o 21.28976 1.030529  4.598376       0.4345437 4.524702       0.6165881 4.671077       0.6125073 -0.000000      0.000000  
1 1 1 -9  0  40 o 80.49564 1.329296  64.95033       2.137409  64.72731       3.029562  65.17135       3.015989  -0.000000      0.000000  
1 1 1 -9  0  41 f 50.26508 0.9974232 25.33932       1.000825  25.20534       1.425179  25.46969       1.405780  -0.000000      0.000000  
1 1 1 -9  0  42 f 166.9502 2.518687  280.0707       8.401368  280.2595       11.89435  279.8828       11.86835  -0.000000      0.000000  
1 1 1 -9  0  43 f 62.75889 1.133029  39.49582       1.419863  39.49604       2.026506  39.49562       1.989970  -0.000000      0.000000  
1 1 1 -9  0  44 o 71.11403 1.751633  50.71729       2.487961  50.71729       2.487961  50.71729       2.487961  -0.000000      0.000000  
1 1 1 -9  0  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  0  46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  0  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  0  48 o 69.89484 1.477725  49.95914       1.996622  45.28880       3.164591  53.04771       2.573487  -0.000000      0.000000  
1 1 1 -9  0  49 o 8.518950 2.482406  1.023246       0.4170519 0.9932555      0.5871281 1.053788       0.5925097 -0.000000      0.000000  
1 1 1 -9  0  50 o 57.12797 1.108428  32.75757       1.263969  32.94470       1.811708  32.58011       1.764279  -0.000000      0.000000  
1 1 1 -9  0  51 o 18.28683 1.346566  3.450844       0.4815764 3.803878       0.7002780 3.134082       0.6633271 -0.000000      0.000000  
1 1 1 -9  0  52 f 37.10078 1.029452  13.84839       0.7611848 13.99242       1.088573  13.71059       1.064777  -0.000000      0.000000  
1 1 1 -9  0  53 o 23.17613 1.215541  5.478134       0.5555578 5.985651       0.7911373 4.984389       0.7803291 -0.000000      0.000000  
1 1 1 -9  0  54 o 54.26875 1.119145  29.59699       1.212253  28.98924       1.711185  30.20931       1.717601  -0.000000      0.000000  
1 1 1 -9  0  55 o 28.30900 1.129471  8.108665       0.6351435 8.240691       0.9067101 7.981467       0.8899806 -0.000000      0.000000  
1 1 1 -9  0  56 o 4.564150 2.042690  -0.1387184     0.4359918 0.4570662      0.6097605 -0.7619439     0.6236448 -0.000000      0.000000  
1 1 1 -9  0  57 o 42.58173 1.093834  18.06839       0.9238892 20.22915       1.395961  16.38424       1.232421  -0.000000      0.000000  
1 1 1 -9  0  58 o 27.99871 1.407339  7.999103       0.7441173 7.982963       1.252533  8.007907       0.9250605 -0.000000      0.000000  
1 1 1 -9  0  59 o 8.891826 5.003007  1.130631       1.333693  1.130631       1.333693  1.130631       1.333693  -0.000000      0.000000  
1 1 1 -9  0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  0  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  1  1  o 393.7727 5.052903  1526.548       36.55289  1618.418       67.40160  1488.271       43.50626  16.30499       10.10581  
1 1 1 -9  1  2  o 197.2274 2.062846  389.0727       8.136962  389.6078       11.52634  388.5412       11.48856  0.2702484      4.125692  
1 1 1 -9  1  3  o 189.3363 1.991321  357.5582       7.522081  372.1875       11.11196  345.1841       10.21963  7.127686       3.982642  
1 1 1 -9  1  4  f 626.9202 7.134976  3897.388       87.24947  3752.683       110.7519  4134.105       141.6522  -30.00256      14.26995  
1 1 1 -9  1  5  o 380.9887 3.972467  1452.515       30.26383  1441.191       42.33348  1464.351       43.28130  -3.032440      7.944934  
1 1 1 -9  1  6  o 233.2274 2.432442  544.0261       11.34442  549.0881       16.21707  539.1754       15.87525  2.123566       4.864884  
1 1 1 -9  1  7  o 326.1942 3.388453  1061.584       22.04951  1105.840       32.60078  1024.271       29.93493  12.48651       6.776906  
1 1 1 -9  1  8  o 341.3965 3.545273  1165.384       24.18978  1144.068       33.47115  1188.691       34.99900  -6.525360      7.090545  
1 1 1 -9  1  9  f 521.9305 5.417710  2727.765       56.54441  2703.169       79.13290  2753.426       80.82571  -4.797729      10.83542  
1 1 1 -9  1  10 o 449.7134 4.683495  2023.583       42.10181  1991.902       58.41446  2057.831       60.73524  -7.310089      9.366989  
1 1 1 -9  1  11 o 148.8002 1.572865  221.2889       4.678063  225.7172       6.756864  217.2120       6.483182  2.857117       3.145729  
1 1 1 -9  1  12 o 272.4769 2.835023  741.2864       15.42346  718.9549       21.09097  766.9562       22.61256  -8.800018      5.670047  
1 1 1 -9  1  13 o 180.6718 1.895944  326.3489       6.848326  321.6923       9.531126  331.3188       9.846567  -2.662888      3.791888  
1 1 1 -9  1  14 o 189.7616 2.813442  360.1519       10.67528  355.6766       14.90840  364.8611       15.29321  -2.417877      5.626884  
1 1 1 -9  1  15 o 349.0809 5.132539  1218.197       35.77821  1183.088       48.99753  1258.300       52.36637  -10.73807      10.26508  
1 1 1 -9  1  16 o 273.2210 2.843524  746.5836       15.53340  736.5161       21.64747  757.2693       22.30225  -3.793945      5.687047  
1 1 1 -9  1  17 o 245.6067 2.562795  602.2396       12.56552  622.9272       18.45029  584.3436       17.16041  7.847275       5.125590  
1 1 1 -9  1  18 f 99.22914 1.087841  97.83437       2.147878  104.5647       3.240933  92.56300       2.868219  6.046455       2.175681  
1 1 1 -9  1  19 o 234.0718 2.441916  548.0565       11.43003  543.0754       16.00286  553.2440       16.33113  -2.169907      4.883832  
1 1 1 -9  1  20 o 117.7490 1.266796  138.5429       2.981107  141.7667       4.316047  135.6019       4.122458  2.617035       2.533592  
1 1 1 -9  1  21 o 85.36360 0.9551534 72.59200       1.626032  69.34643       2.200884  76.49272       2.412814  -4.185112      1.910307  
1 1 1 -9  1  22 o 251.6312 2.624673  633.1353       13.19930  620.8517       18.25468  646.5937       19.10779  -5.106400      5.249345  
1 1 1 -9  1  23 o 97.33501 1.068888  93.82956       2.064669  101.9584       3.166050  87.81465       2.723445  7.263405       2.137775  
1 1 1 -9  1  24 o 141.7479 1.508162  200.3251       4.263906  192.5656       5.779544  209.5929       6.316290  -6.002151      3.016323  
1 1 1 -9  1  25 o 72.21017 0.8367484 51.98241       1.205769  54.57816       1.778596  49.77484       1.640226  3.325287       1.673497  
1 1 1 -9  1  26 o 185.4122 1.949757  343.9174       7.228438  339.9049       10.09125  348.1459       10.35912  -2.218994      3.899514  
1 1 1 -9  1  27 o 201.7387 2.116677  407.3684       8.540315  407.7934       12.08249  406.9440       12.07317  0.2103729      4.233355  
1 1 1 -9  1  28 o 161.1238 1.704578  259.4636       5.487413  266.5124       7.978520  253.1361       7.559196  4.145142       3.409157  
1 1 1 -9  1  29 o 248.1524 2.591705  616.6860       12.86238  614.0553       18.10659  619.3658       18.27487  -1.066620      5.183411  
1 1 1 -9  1  30 o 180.8698 1.905638  327.4081       6.893321  326.3098       9.713432  328.5223       9.784209  -0.6105347     3.811276  
1 1 1 -9  1  31 f 85.05682 0.9648084 72.16718       1.638011  75.36786       2.410382  69.42075       2.232794  3.494415       1.929617  
1 1 1 -9  1  32 o 229.7081 2.405295  527.6681       11.03568  513.5648       15.14768  543.6210       16.11039  -6.520065      4.810589  
1 1 1 -9  1  33 o 110.0500 1.203044  120.7667       2.641084  115.9837       3.583470  126.4543       3.907667  -4.753090      2.406088  
1 1 1 -9  1  34 o 111.2007 1.214786  123.6505       2.700624  121.5634       3.755702  125.8851       3.886158  -1.941422      2.429572  
1 1 1 -9  1  35 o 7.785930 1.522386  0.6237446      0.2449308 0.6578856      0.3546180 0.5926001      0.3386990 0.3837180      3.044772  
1 1 1 -9  1  36 o 159.3721 1.693321  254.1668       5.394772  258.7336       7.774891  249.9266       7.491706  2.755676       3.386641  
1 1 1 -9  1  37 o 22.56354 0.7250353 5.065097       0.3180921 6.859732       0.4733918 3.587794       0.4295041 7.249969       1.450071  
1 1 1 -9  1  38 o 76.14871 0.8956342 57.93944       1.362716  59.64251       1.980456  56.40809       1.877969  2.121811       1.791268  
1 1 1 -9  1  39 o 126.2130 1.366210  159.4893       3.448462  158.4254       4.844948  160.5816       4.909415  -0.8520737     2.732420  
1 1 1 -9  1  40 f 42.66951 0.8278375 17.94809       0.6546191 18.92943       1.186947  17.51911       0.7847596 1.642830       1.655675  
1 1 1 -9  1  41 o 109.4086 1.708469  119.5587       3.725789  125.5950       5.548708  114.6025       5.027838  4.993607       3.416939  
1 1 1 -9  1  42 o 138.0412 2.107717  190.8531       5.803814  183.2059       7.872179  199.9594       8.590439  -6.009064      4.215434  
1 1 1 -9  1  43 o 32.82581 0.9406621 10.77584       0.6163640 10.96706       0.9035544 10.60941       0.8429396 0.5422058      1.881324  
1 1 1 -9  1  44 o 25.65737 0.8548408 6.625181       0.4140867 6.698984       0.5092664 6.481186       0.7113450 0.4327374      1.709682  
1 1 1 -9  1  45 o 45.82553 0.6951495 21.00972       0.6369873 20.75288       0.8902414 21.27916       0.9118181 -0.5734138     1.390299  
1 1 1 -9  1  46 o 103.6609 1.160289  107.5640       2.403296  110.5717       3.490843  104.8539       3.313625  2.745949       2.320578  
1 1 1 -9  1  47 o 73.36747 1.098868  53.19560       1.495634  51.96933       1.795028  55.97987       2.704786  -2.664886      2.197736  
1 1 1 -9  1  48 o 76.75511 1.305315  59.00281       2.000492  57.24263       2.736740  61.02248       2.931540  -2.444016      2.610630  
1 1 1 -9  1  49 o 51.17623 1.049043  26.15114       1.071226  24.72211       1.455538  27.83985       1.582271  -3.035030      2.098086  
1 1 1 -9  1  50 o 13.47359 1.671113  1.887781       0.4341184 2.201172       0.6019883 1.548214       0.6266248 2.644875       3.342226  
1 1 1 -9  1  51 o 34.89006 0.8882281 12.67727       0.5897676 10.41641       0.9437068 14.12614       0.7554668 -5.333263      1.776456  
1 1 1 -9  1  52 o 38.84972 0.7221099 15.10520       0.5608176 15.72327       0.8058467 14.52470       0.7809698 1.540558       1.444220  
1 1 1 -9  1  53 f 20.26119 0.9246762 4.111122       0.3676766 3.115725       0.5025117 5.257985       0.5393913 -5.282442      1.849352  
1 1 1 -9  1  54 o 50.67827 0.7661871 25.74040       0.7765729 25.74504       1.100743  25.73581       1.095754  0.8586884E-02  1.532374  
1 1 1 -9  1  55 o 23.40800 0.8547347 5.495749       0.4000859 5.479013       0.5705611 5.511937       0.5611696 -0.7146835E-01 1.709469  
1 1 1 -9  1  56 o 37.18523 0.7627988 13.86173       0.5672733 13.71613       0.8022689 14.00732       0.8022223 -0.3915405     1.525598  
1 1 1 -9  1  57 o 38.80109 0.7752994 15.09630       0.6014484 14.99394       0.8385785 15.20473       0.8631046 -0.2683754     1.550599  
1 1 1 -9  1  58 o 40.36988 0.9135908 16.41269       0.7350118 17.07737       1.011146  15.66797       1.070302  1.755135       1.827182  
1 1 1 -9  1  59 o 11.71511 3.898488  1.370031       1.069325  1.370031       1.069325  ?              ?         ?              ?         
1 1 1 -9  1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  1  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  2  1  f 399.2162 5.861044  1596.457       46.79385  1606.514       66.60182  1586.653       65.75922  2.478516       11.72209  
1 1 1 -9  2  2  o 440.7917 6.469150  1940.724       56.86436  1867.764       76.98802  2028.309       84.35227  -18.12338      12.93830  
1 1 1 -9  2  3  o 414.4025 6.090847  1720.371       50.47461  1705.865       70.70235  1735.449       72.08140  -3.554016      12.18169  
1 1 1 -9  2  4  f 507.3922 6.461986  2592.987       62.20433  2538.982       105.8094  2621.510       76.89605  -8.473175      12.92397  
1 1 1 -9  2  5  o 261.3052 2.723778  682.4809       14.22425  668.6887       19.66952  697.6010       20.59460  -5.527618      5.447556  
1 1 1 -9  2  6  f 377.4633 3.916524  1424.129       29.53393  1461.986       42.99435  1390.305       40.63961  9.478149       7.833048  
1 1 1 -9  2  7  o 415.8744 4.318233  1725.551       35.81485  1802.581       53.09188  1661.225       48.51648  16.95898       8.636465  
1 1 1 -9  2  8  o 236.7798 2.472443  560.3813       11.70114  549.0633       16.20562  572.7088       16.91284  -4.989960      4.944887  
1 1 1 -9  2  9  o 301.0822 3.129155  906.2249       18.82893  925.3882       27.25506  888.7287       26.04257  6.081024       6.258310  
1 1 1 -9  2  10 o 257.1121 2.678317  661.2883       13.77212  657.9474       19.38386  664.6938       19.57093  -1.311005      5.356634  
1 1 1 -9  2  11 o 319.6739 3.327938  1022.480       21.27638  1027.624       30.23931  1017.436       29.94160  1.591583       6.655876  
1 1 1 -9  2  12 o 95.74899 1.049513  91.58722       2.008219  89.36862       2.774271  94.02946       2.910742  -2.433609      2.099025  
1 1 1 -9  2  13 o 236.2996 3.487267  554.1250       16.36545  596.5081       24.97519  522.2330       21.66473  15.69362       6.974534  
1 1 1 -9  2  14 o 402.0647 4.180487  1610.255       33.46701  1539.903       44.88431  1698.340       50.22347  -19.65857      8.360974  
1 1 1 -9  2  15 o 457.6526 4.747998  2087.267       43.28387  1993.716       58.17471  2203.277       64.78228  -22.83121      9.495996  
1 1 1 -9  2  16 o 448.7106 4.653615  2015.904       41.75985  2029.966       59.46451  2002.222       58.65843  3.083496       9.307229  
1 1 1 -9  2  17 o 263.4170 2.742347  694.0647       14.44472  686.4448       20.18707  702.0593       20.67760  -2.960693      5.484695  
1 1 1 -9  2  18 o 365.6279 3.795118  1337.585       27.74016  1317.444       38.56422  1359.181       39.93258  -5.694305      7.590235  
1 1 1 -9  2  19 o 299.3736 3.114923  896.8976       18.64987  892.8799       26.24500  900.9958       26.50674  -1.353210      6.229846  
1 1 1 -9  2  20 o 237.8415 2.483016  563.2650       11.76195  538.1051       15.79530  594.5808       17.62204  -11.85854      4.966032  
1 1 1 -9  2  21 o 413.8845 4.297864  1715.058       35.55723  1746.757       51.30068  1685.750       49.32832  7.340515       8.595729  
1 1 1 -9  2  22 f 161.4128 1.705555  258.8441       5.474349  245.0891       7.289085  276.6410       8.291157  -9.766891      3.411110  
1 1 1 -9  2  23 o 225.2979 2.355613  507.7521       10.61049  500.8988       14.77220  515.0563       15.25022  -3.136856      4.711227  
1 1 1 -9  2  24 o 274.0621 2.855525  751.5681       15.64448  739.1837       21.72981  764.8953       22.54181  -4.678986      5.711050  
1 1 1 -9  2  25 o 266.3794 2.777634  710.1095       14.79163  699.1402       20.55909  721.8810       21.29751  -4.256775      5.555268  
1 1 1 -9  2  26 o 162.8120 1.720410  264.9675       5.597462  271.2283       8.115307  259.2860       7.730705  3.663147       3.440819  
1 1 1 -9  2  27 o 183.5010 1.930330  336.3025       7.071972  325.9783       9.665293  348.1984       10.37493  -6.044052      3.860659  
1 1 1 -9  2  28 o 75.02897 0.8668207 56.30066       1.300684  56.03785       1.829977  56.56899       1.849062  -0.3538361     1.733641  
1 1 1 -9  2  29 o 145.7862 1.551216  211.6289       4.504912  201.9517       6.055565  223.6217       6.741272  -7.423874      3.102431  
1 1 1 -9  2  30 o 118.9969 1.286278  141.4672       3.057930  145.5621       4.451242  137.8073       4.208123  3.255791       2.572556  
1 1 1 -9  2  31 o 150.8571 1.603304  226.6819       4.819000  216.4909       6.484723  239.2510       7.201721  -7.533173      3.206608  
1 1 1 -9  2  32 o 165.4460 1.750345  273.6468       5.786300  280.7055       8.404516  267.2859       7.978244  4.048325       3.500691  
1 1 1 -9  2  33 o 86.47997 0.9792179 74.80042       1.693506  75.46481       2.414494  74.15710       2.375930  0.7556763      1.958436  
1 1 1 -9  2  34 o 168.5619 1.784100  283.3514       5.995389  297.2951       8.915847  271.8422       8.100239  7.533234       3.568200  
1 1 1 -9  2  35 o 64.18618 0.7941261 41.17301       1.018836  42.19761       1.472006  40.23078       1.411594  1.531498       1.588252  
1 1 1 -9  2  36 o 35.33195 0.6535970 12.02527       0.4530610 9.626812       0.5819421 15.71602       0.7218902 -8.615721      1.307194  
1 1 1 -9  2  37 o 50.78375 0.8570838 25.40465       0.8101034 26.86961       1.458196  24.75066       0.9742887 2.079140       1.714168  
1 1 1 -9  2  38 o 213.7577 3.189328  458.7159       13.60922  443.7893       18.57574  476.0110       19.99525  -7.439377      6.378657  
1 1 1 -9  2  39 o 29.87896 0.9322084 8.751290       0.5504133 7.163684       0.7260047 10.89726       0.8440736 -6.245115      1.864417  
1 1 1 -9  2  40 o 159.9214 2.413746  257.0224       7.719905  258.0715       10.97380  255.9944       10.86225  0.6412201      4.827493  
1 1 1 -9  2  41 f 81.08928 1.163224  64.44320       1.736128  62.38171       2.066242  69.39345       3.201869  -4.279221      2.326448  
1 1 1 -9  2  42 f 20.72157 0.7461362 4.290769       0.3084717 4.725004       0.4448102 3.888441       0.4281562 2.018084       1.492272  
1 1 1 -9  2  43 f 48.12818 0.6994851 23.03807       0.6712066 21.33245       0.9073389 25.09957       0.9975153 -3.910778      1.398970  
1 1 1 -9  2  44 o 50.90627 0.9480942 26.06816       0.9517806 26.71842       1.254695  25.18682       1.460715  1.513935       1.896188  
1 1 1 -9  2  45 o 71.38127 0.8682787 50.94889       1.238529  52.48106       1.797120  49.56286       1.709269  2.039978       1.736557  
1 1 1 -9  2  46 o 33.64996 0.6718276 11.29884       0.4513069 10.40494       0.6212032 12.29803       0.6567695 -2.811508      1.343655  
1 1 1 -9  2  47 o 95.68115 1.087895  91.70881       2.080863  93.46447       2.998137  90.07706       2.890389  1.761955       2.175790  
1 1 1 -9  2  48 o 25.86718 0.7229553 6.679655       0.3734909 7.134673       0.5446437 6.275733       0.5131536 1.658632       1.445911  
1 1 1 -9  2  49 o 39.55341 0.7035022 15.62908       0.5559011 16.44698       0.8092548 14.89830       0.7649412 1.955105       1.407004  
1 1 1 -9  2  50 o 34.11227 0.7083771 11.58028       0.4816383 10.41325       0.6543039 12.96053       0.7115728 -3.729832      1.416754  
1 1 1 -9  2  51 o 31.70588 0.9118895 10.17959       0.5430176 10.38327       0.6660496 9.775841       0.9377478 0.9833775      1.823779  
1 1 1 -9  2  52 o 17.08409 1.353578  2.934848       0.4624151 3.000069       0.6608980 2.872297       0.6472237 0.3718472      2.707157  
1 1 1 -9  2  53 o 38.41366 1.035374  14.80934       0.7953728 14.55899       1.116249  15.06753       1.133606  -0.6596794     2.070748  
1 1 1 -9  2  54 o 6.205983 1.774389  0.1020700      0.3671257 -0.4247639     0.6055210 0.4083021      0.4616552 -1.604514      3.548779  
1 1 1 -9  2  55 o 13.18669 1.349959  1.780636       0.3385061 2.321828       0.4942246 1.302403       0.4645885 4.020295       2.699917  
1 1 1 -9  2  56 o 44.32694 0.7653983 19.68462       0.6783255 20.24681       0.9745136 19.15622       0.9447721 1.226749       1.530797  
1 1 1 -9  2  57 o 27.45672 0.8437857 7.533697       0.4614232 6.621830       0.6325681 8.570634       0.6745557 -3.542755      1.687571  
1 1 1 -9  2  58 o 45.61295 1.053502  20.91242       0.9142299 20.89328       1.130404  20.94861       1.554461  0.1739883E-01  2.107003  
1 1 1 -9  2  59 f 18.03359 3.605736  3.474539       1.254517  3.474539       1.254517  ?              ?         ?              ?         
1 1 1 -9  2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  2  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  3  1  o 511.7225 5.338983  2621.563       54.63174  2671.592       78.16269  2573.779       76.38970  9.539886       10.67797  
1 1 1 -9  3  2  o 279.7543 2.914301  782.8560       16.30341  789.1827       23.29063  776.7774       22.82931  2.214752       5.828602  
1 1 1 -9  3  3  o 289.5395 3.647846  848.5533       20.39296  878.1602       25.92932  800.5423       33.01905  13.45020       7.295691  
1 1 1 -9  3  4  o 222.4711 3.284927  495.2091       14.61602  495.0769       20.65698  495.3417       20.68339  -0.5932617E-01 6.569855  
1 1 1 -9  3  5  o 320.1131 4.703866  1025.869       30.11475  1029.351       42.75369  1022.440       42.42557  1.076721       9.407733  
1 1 1 -9  3  6  o 251.8382 3.710893  633.7898       18.66869  651.9738       27.20670  617.6097       25.66382  6.812225       7.421785  
1 1 1 -9  3  7  o 173.6442 2.346786  302.8895       8.050978  292.9751       12.27813  310.3676       10.66345  -5.014999      4.693572  
1 1 1 -9  3  8  o 168.7635 2.167587  286.2556       6.962651  280.3720       11.76627  289.4259       8.637195  -2.694763      4.335173  
1 1 1 -9  3  9  o 392.0847 4.072888  1528.160       31.75712  1446.562       42.29681  1633.595       48.07959  -23.80692      8.145777  
1 1 1 -9  3  10 o 153.6251 1.627088  235.9292       4.997085  239.6357       7.193362  232.4722       6.946968  2.330734       3.254176  
1 1 1 -9  3  11 o 610.8903 6.374007  3717.802       77.44681  3540.967       103.2883  3944.901       117.0509  -32.89075      12.74801  
1 1 1 -9  3  12 o 216.2864 3.194245  466.1902       13.77013  489.7386       20.51418  446.8785       18.57737  9.896042       6.388490  
1 1 1 -9  3  13 f 114.4051 1.234359  130.5692       2.818857  125.9569       3.844619  135.9310       4.145267  -4.358376      2.468718  
1 1 1 -9  3  14 o 433.3022 4.497906  1873.254       38.86723  1960.863       57.64189  1800.210       52.63220  18.49274       8.995812  
1 1 1 -9  3  15 o 592.1870 6.147341  3513.765       72.78896  3474.082       101.5865  3555.635       104.3473  -6.850098      12.29468  
1 1 1 -9  3  16 o 458.0890 6.177207  2087.617       54.86036  2040.515       69.15331  2167.595       90.11063  -13.58051      12.35441  
1 1 1 -9  3  17 o 211.6977 2.213272  447.6927       9.359741  436.4033       12.86697  460.3798       13.64019  -5.658707      4.426543  
1 1 1 -9  3  18 f 487.3304 5.075937  2374.405       49.39184  2295.195       67.55020  2465.404       72.40327  -17.39752      10.15187  
1 1 1 -9  3  19 o 100.2412 1.098376  98.89411       2.173950  110.2774       3.418328  91.16326       2.817039  9.532150       2.196751  
1 1 1 -9  3  20 o 41.73827 0.8876398 12.35093       0.6164874 29.18346       1.456595  8.677718       0.6804361 24.56240       1.775280  
1 1 1 -9  3  21 o 152.6663 1.616585  231.2457       4.902112  218.0871       6.493569  248.6815       7.474791  -10.01419      3.233171  
1 1 1 -9  3  22 o 149.7816 1.587365  224.0835       4.749330  230.7392       6.925219  218.1735       6.525704  4.192032       3.174729  
1 1 1 -9  3  23 o 324.2758 3.373404  1051.522       21.84867  1023.672       29.98204  1083.060       31.90490  -9.126190      6.746809  
1 1 1 -9  3  24 f 201.9859 2.117560  407.5424       8.541718  420.8037       12.49308  395.9013       11.70502  6.155533       4.235120  
1 1 1 -9  3  25 o 186.5291 1.961584  347.5953       7.307993  337.9868       10.02784  358.4788       10.67237  -5.485413      3.923169  
1 1 1 -9  3  26 o 132.2500 1.414396  174.1368       3.726551  166.1238       5.011889  184.0441       5.572923  -6.769669      2.828791  
1 1 1 -9  3  27 o 223.9978 2.344553  502.3641       10.50349  502.4930       14.86233  502.2354       14.84603  0.5718994E-01  4.689106  
1 1 1 -9  3  28 o 86.53841 0.9723776 73.83083       1.664759  68.07829       2.170084  82.05785       2.595186  -8.073776      1.944755  
1 1 1 -9  3  29 o 149.9575 1.592659  224.9239       4.775268  227.9874       6.851604  222.0302       6.659012  1.983887       3.185317  
1 1 1 -9  3  30 o 126.5020 1.360637  160.0684       3.441908  158.4515       4.815786  161.7568       4.921108  -1.305191      2.721274  
1 1 1 -9  3  31 o 204.7921 2.149317  419.7593       8.800756  414.2892       12.27199  425.5513       12.62795  -2.742630      4.298634  
1 1 1 -9  3  32 o 100.9134 1.113240  101.8099       2.245802  99.95377       3.119830  103.8060       3.235408  -1.907410      2.226480  
1 1 1 -9  3  33 f 80.97901 1.154509  62.98773       1.681790  71.58728       3.264436  59.88058       1.962235  7.212067       2.309019  
1 1 1 -9  3  34 o 61.20693 1.075392  37.38782       1.314138  38.93826       1.928737  36.04439       1.795365  2.362309       2.150784  
1 1 1 -9  3  35 o 96.31555 1.515860  92.15881       2.902889  99.01924       4.401858  86.87904       3.861604  6.291039       3.031721  
1 1 1 -9  3  36 o 23.19687 0.9708250 5.382297       0.4503345 5.332580       0.6303797 5.434114       0.6435631 -0.2186470     1.941650  
1 1 1 -9  3  37 o 20.94176 0.8605648 4.433691       0.3490819 4.585275       0.4458500 4.193562       0.5611580 0.9370270      1.721130  
1 1 1 -9  3  38 o 40.71968 0.6540399 16.49172       0.5310131 15.38760       0.7175995 17.82806       0.7894661 -2.995613      1.308080  
1 1 1 -9  3  39 o 26.84250 0.6635705 7.149600       0.3539858 6.112386       0.4794254 8.392816       0.5248800 -4.247019      1.327141  
1 1 1 -9  3  40 o 112.0335 1.229579  125.6203       2.753958  127.8087       3.963333  123.5772       3.829484  1.883301       2.459158  
1 1 1 -9  3  41 o 115.2038 1.261432  132.8587       2.905310  130.6831       4.041478  135.1854       4.179452  -1.948082      2.522863  
1 1 1 -9  3  42 o 185.7596 1.969300  346.5599       7.314696  342.5195       10.21604  350.8100       10.47802  -2.209885      3.938601  
1 1 1 -9  3  43 o 75.38172 0.8984817 56.88344       1.354581  56.87820       1.916754  56.88868       1.914581  -0.7034302E-02 1.796963  
1 1 1 -9  3  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  3  45 o 31.83830 0.6802881 10.11424       0.4322287 9.220589       0.5951853 11.11144       0.6287198 -2.968225      1.360576  
1 1 1 -9  3  46 o 157.2609 1.687110  248.0634       5.298279  240.7426       7.257089  256.4195       7.753297  -4.933533      3.374219  
1 1 1 -9  3  47 o 25.44369 0.7285905 6.473464       0.3700729 5.939867       0.5146171 7.044939       0.5325686 -2.170689      1.457181  
1 1 1 -9  3  48 o 43.96741 0.7057521 19.35047       0.6205671 19.06412       0.8740306 19.64155       0.8812426 -0.6562805     1.411504  
1 1 1 -9  3  49 o 43.11875 0.7088767 18.54435       0.6101612 17.31676       0.8338130 19.95952       0.8952565 -3.060822      1.417753  
1 1 1 -9  3  50 o 50.70196 0.7502536 25.73236       0.7604580 26.20899       1.095039  25.28839       1.056876  0.9050789      1.500507  
1 1 1 -9  3  51 o 109.8814 1.232079  121.2676       2.707311  122.3397       3.865465  120.2353       3.792996  0.9482040      2.464158  
1 1 1 -9  3  52 o 23.05624 0.8326135 5.321643       0.3832738 5.429699       0.5610688 5.227102       0.5248082 0.4358749      1.665227  
1 1 1 -9  3  53 o 53.41673 0.7813365 28.45921       0.8324953 30.50951       1.233647  26.74482       1.128076  3.513393       1.562673  
1 1 1 -9  3  54 o 21.60842 0.9859461 4.585055       0.4209906 4.040874       0.5463412 5.380456       0.6605189 -3.084362      1.971892  
1 1 1 -9  3  55 o 20.66983 1.281428  4.327429       0.5264450 4.714375       0.7293559 3.906576       0.7606404 1.959831       2.562857  
1 1 1 -9  3  56 o 51.16093 1.106226  26.18785       1.128180  24.85261       1.522125  27.81560       1.680593  -2.868916      2.212453  
1 1 1 -9  3  57 o 46.19169 1.086367  21.45447       1.003331  22.19708       1.431476  20.73736       1.406697  1.575375       2.172735  
1 1 1 -9  3  58 o 39.30331 0.9090499 15.53257       0.7135810 16.25129       1.000689  14.78899       1.017842  1.863045       1.818100  
1 1 1 -9  3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  4  1  o 263.0669 2.740789  692.3086       14.42002  690.6741       20.33083  693.9633       20.45573  -0.6245117     5.481579  
1 1 1 -9  4  2  o 478.8842 4.972092  2296.227       47.62033  2286.556       67.11019  2306.033       67.58293  -2.029175      9.944183  
1 1 1 -9  4  3  o 509.5151 5.287659  2598.820       53.86184  2564.732       74.94604  2635.232       77.46047  -6.893585      10.57532  
1 1 1 -9  4  4  o 517.3188 5.394064  2679.603       55.79811  2712.194       79.86774  2648.528       77.98677  6.134644       10.78813  
1 1 1 -9  4  5  o 479.3014 4.983627  2284.596       47.50187  2162.584       63.26562  2442.265       71.91880  -29.09586      9.967254  
1 1 1 -9  4  6  o 266.4271 2.775805  709.1321       14.77272  729.0678       21.53958  691.4265       20.29911  7.057678       5.551609  
1 1 1 -9  4  7  o 235.9277 3.013668  557.1713       13.43026  557.7511       16.48236  556.0257       23.16740  0.4030609      6.027336  
1 1 1 -9  4  8  o 304.8375 4.482896  929.2061       27.30379  952.7994       39.68626  908.0022       37.62308  7.330109       8.965793  
1 1 1 -9  4  9  o 244.9599 3.615278  600.3732       17.70896  606.0431       25.32219  594.9457       24.77527  2.261322       7.230557  
1 1 1 -9  4  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  4  11 o 331.4757 4.257288  1082.342       25.96469  1144.393       47.72034  1056.247       30.94646  13.15750       8.514576  
1 1 1 -9  4  12 o 186.7391 2.116726  348.8074       7.826349  348.7699       11.94270  348.8358       10.36126  -0.2427673E-01 4.233452  
1 1 1 -9  4  13 o 586.2503 6.091166  3435.637       71.26193  3567.146       105.0123  3323.382       97.02064  20.69165       12.18233  
1 1 1 -9  4  14 o 121.6622 1.303299  147.9971       3.170607  146.3973       4.431066  149.6755       4.538703  -1.346931      2.606598  
1 1 1 -9  4  15 o 345.1844 3.583615  1190.767       24.70919  1225.208       36.03751  1160.212       33.94447  9.397980       7.167231  
1 1 1 -9  4  16 o 414.1291 6.085665  1709.705       50.15980  1813.441       75.51582  1627.800       67.10079  22.28992       12.17133  
1 1 1 -9  4  17 f 442.0128 4.594788  1956.813       40.61889  1952.725       57.49346  1960.887       57.39426  -0.9244080     9.189575  
1 1 1 -9  4  18 o 275.4598 2.867150  757.1505       15.75725  788.4603       23.27427  730.6546       21.41046  10.47742       5.734300  
1 1 1 -9  4  19 o 134.5280 1.436945  180.9541       3.865091  178.7742       5.390235  183.2612       5.545186  -1.666992      2.873891  
1 1 1 -9  4  20 o 243.4223 2.544772  591.6734       12.36704  612.9152       18.14981  573.2637       16.89662  8.133438       5.089545  
1 1 1 -9  4  21 o 314.9028 3.274878  992.7410       20.62367  986.3732       28.94713  999.3054       29.39048  -2.047638      6.549756  
1 1 1 -9  4  22 o 305.0938 3.175427  931.8041       19.37244  921.7246       27.08442  942.3623       27.72017  -3.373138      6.350854  
1 1 1 -9  4  23 o 366.5021 3.809873  1344.940       27.90664  1319.261       38.60758  1373.038       40.38422  -7.302460      7.619746  
1 1 1 -9  4  24 o 319.1824 3.321124  1020.184       21.19429  1034.654       30.43075  1006.553       29.53579  4.385284       6.642248  
1 1 1 -9  4  25 f 453.0750 4.712060  2059.938       42.67892  2027.625       59.29987  2094.661       61.47300  -7.332458      9.424120  
1 1 1 -9  4  26 f 195.8259 2.056848  383.8165       8.055677  383.9114       11.39719  383.7218       11.38771  0.4824829E-01  4.113695  
1 1 1 -9  4  27 o 192.9661 2.028598  372.7086       7.829010  372.3702       11.06741  373.0476       11.07638  -0.1753998     4.057197  
1 1 1 -9  4  28 o 50.89577 0.6825578 25.82606       0.6936049 27.32323       1.017707  24.52742       0.9478280 2.746231       1.365116  
1 1 1 -9  4  29 o 276.1750 2.880665  764.0117       15.90849  756.1092       22.24669  772.2815       22.75803  -2.915985      5.761331  
1 1 1 -9  4  30 o 87.91931 1.214996  76.72347       1.993331  78.99588       3.548294  75.67564       2.409464  1.876106       2.429992  
1 1 1 -9  4  31 f 64.86008 1.115211  41.77985       1.439081  39.30505       1.919767  44.95423       2.174242  -4.352238      2.230423  
1 1 1 -9  4  32 o 240.1915 3.558930  578.8361       17.09113  570.7920       23.81503  587.3791       24.54238  -3.426147      7.117860  
1 1 1 -9  4  33 o 110.8103 1.710402  122.8965       3.790489  122.1699       5.335495  123.6370       5.385983  -0.6610565     3.420804  
1 1 1 -9  4  34 o 131.7741 1.752398  170.1501       4.226305  164.9758       5.010024  182.9180       7.869931  -6.747223      3.504795  
1 1 1 -9  4  35 o 76.42207 0.8948557 58.35790       1.366577  59.92691       1.982554  56.93756       1.886299  1.954559       1.789711  
1 1 1 -9  4  36 o 54.74703 0.7285856 29.70800       0.7932267 32.51674       1.202721  27.54573       1.055270  4.538227       1.457171  
1 1 1 -9  4  37 o 93.79779 1.052556  88.03399       1.974547  88.07520       2.794401  87.99288       2.790465  0.4379272E-01  2.105112  
1 1 1 -9  4  38 o 96.39524 1.079998  92.24245       2.069550  86.60600       2.750016  99.60352       3.142708  -6.731995      2.159997  
1 1 1 -9  4  39 o 60.98737 0.7734749 37.10547       0.9416421 38.88704       1.384890  35.57362       1.284173  2.714340       1.546950  
1 1 1 -9  4  40 o 37.42782 0.6439238 13.99768       0.4817005 14.46391       0.6967346 13.57077       0.6667117 1.192524       1.287848  
1 1 1 -9  4  41 o 89.74788 1.020189  80.08439       1.822018  75.49992       2.433630  85.93165       2.748441  -5.800240      2.040378  
1 1 1 -9  4  42 o 87.86647 1.006121  77.28915       1.767920  76.40450       2.479493  78.20401       2.521468  -1.022163      2.012242  
1 1 1 -9  4  43 o 68.32758 0.8419642 46.16101       1.141333  42.48466       1.502373  51.17833       1.755115  -6.351822      1.683928  
1 1 1 -9  4  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  4  45 f 48.71252 0.7086333 23.53686       0.6871694 21.51718       0.9197772 26.08830       1.033793  -4.687466      1.417267  
1 1 1 -9  4  46 o 25.20286 0.7224680 6.359331       0.3635627 5.889287       0.5102056 6.844217       0.5181983 -1.894119      1.444936  
1 1 1 -9  4  47 o 93.09464 1.064938  86.58133       1.978175  82.99535       2.688438  90.81499       2.921151  -4.182457      2.129877  
1 1 1 -9  4  48 o 70.24615 0.8702337 49.17931       1.218342  52.32228       1.817792  46.61599       1.641634  4.049660       1.740467  
1 1 1 -9  4  49 o 48.28703 0.7254263 23.32706       0.7002534 24.00091       1.009081  22.70113       0.9725448 1.343582       1.450853  
1 1 1 -9  4  50 o 75.89137 0.9210790 57.53981       1.394720  60.45742       2.060553  55.07291       1.894728  3.532188       1.842158  
1 1 1 -9  4  51 o 16.55996 1.027816  2.750218       0.3400241 2.933535       0.4859757 2.574411       0.4759154 1.083212       2.055632  
1 1 1 -9  4  52 o 73.72342 0.9121982 54.48069       1.344550  55.27136       1.931779  53.73775       1.872566  1.033760       1.824396  
1 1 1 -9  4  53 o 15.67691 1.075781  2.481384       0.3354394 2.242992       0.4828145 2.703821       0.4663784 -1.472053      2.151562  
1 1 1 -9  4  54 o 30.80048 0.7743374 9.353281       0.4717274 11.57311       0.7155086 7.646549       0.6273896 6.364923       1.548675  
1 1 1 -9  4  55 o 42.25867 0.7556079 17.89956       0.6386021 17.71369       0.9007680 18.08738       0.9054902 -0.4416237     1.511216  
1 1 1 -9  4  56 o 62.02419 0.8473766 38.59001       1.051110  38.92374       1.495123  38.26387       1.478013  0.5296669      1.694753  
1 1 1 -9  4  57 o 57.57207 0.9084432 32.76962       1.020865  35.56936       1.661346  31.07116       1.293984  3.847984       1.816886  
1 1 1 -9  4  58 o 70.99577 1.663556  51.17847       2.174813  51.28724       2.612094  50.93270       3.926473  0.6334000      3.327112  
1 1 1 -9  4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  5  1  o 476.6159 4.963562  2254.894       46.93237  2129.224       61.88548  2425.009       72.00213  -30.93204      9.927123  
1 1 1 -9  5  2  o 87.89325 0.9666296 76.98093       1.694486  80.80414       2.511815  73.78788       2.295498  3.990952       1.933259  
1 1 1 -9  5  3  f 195.6127 2.050689  381.9453       8.007991  395.0418       11.75825  370.6156       10.93638  6.240265       4.101378  
1 1 1 -9  5  4  o 288.3506 3.000279  831.8176       17.30139  835.8958       24.64058  827.8517       24.29873  1.392853       6.000559  
1 1 1 -9  5  5  o 418.4408 4.358675  1748.986       36.41175  1812.753       53.44440  1693.748       49.74263  14.18887       8.717351  
1 1 1 -9  5  6  o 361.1389 4.335229  1305.528       31.31179  1301.224       44.11829  1309.897       44.44667  -1.197998      8.670459  
1 1 1 -9  5  7  o 180.2301 2.677549  324.2866       9.633670  314.6155       13.15642  335.4664       14.14541  -5.779358      5.355098  
1 1 1 -9  5  8  o 578.5365 6.522887  3344.480       74.38361  3415.699       115.9932  3294.736       96.94065  10.21149       13.04577  
1 1 1 -9  5  9  o 683.5745 7.778101  4591.542       102.6424  5051.980       172.4225  4338.812       127.7431  51.48169       15.55620  
1 1 1 -9  5  10 f 528.4131 6.801650  2769.516       66.67038  2720.782       80.11279  2879.300       120.2425  -14.46625      13.60330  
1 1 1 -9  5  11 o 403.8461 5.243703  1573.462       37.94920  1503.631       44.21675  1768.746       73.94261  -32.51572      10.48741  
1 1 1 -9  5  12 o 245.6138 3.623481  603.6782       17.79839  600.2455       25.00230  607.2051       25.34258  -1.414261      7.246962  
1 1 1 -9  5  13 o 537.0713 7.937473  2891.362       85.17224  2810.721       117.2740  2981.377       123.9027  -15.77545      15.87495  
1 1 1 -9  5  14 o 608.3804 8.969191  3714.153       108.9647  3616.238       149.2578  3825.891       159.4450  -17.02368      17.93838  
1 1 1 -9  5  15 o 518.5634 6.622224  2695.509       64.57103  2702.120       112.4964  2692.260       78.85410  0.4172363      13.24445  
1 1 1 -9  5  16 o 502.2648 7.379885  2532.656       74.12753  2549.816       105.6094  2515.991       104.0718  3.337524       14.75977  
1 1 1 -9  5  17 o 401.6859 4.168301  1615.752       33.48685  1617.770       47.42767  1613.746       47.28775  0.4993286      8.336601  
1 1 1 -9  5  18 o 572.9414 5.968246  3286.094       68.28399  3178.419       93.48499  3409.247       99.97795  -20.02460      11.93649  
1 1 1 -9  5  19 o 211.1857 2.211794  443.9695       9.302203  423.5465       12.48495  469.4547       13.94669  -10.85808      4.423588  
1 1 1 -9  5  20 o 148.9832 1.578579  222.0062       4.703403  220.6866       6.612265  223.3577       6.691680  -0.8959656     3.157158  
1 1 1 -9  5  21 f 75.02029 0.8630472 56.16027       1.292976  54.11079       1.770354  58.50325       1.892877  -2.927055      1.726094  
1 1 1 -9  5  22 o 318.3285 3.311183  1014.279       21.07035  1032.374       30.37696  997.5004       29.25087  5.459412       6.622366  
1 1 1 -9  5  23 o 288.3138 3.002925  832.2693       17.31350  825.0739       24.25481  839.7444       24.72183  -2.536621      6.005850  
1 1 1 -9  5  24 o 247.4354 2.584008  612.7993       12.78500  606.0281       17.86977  619.8997       18.29932  -2.796341      5.168017  
1 1 1 -9  5  25 o 323.7783 3.370120  1050.550       21.82118  1058.803       31.12775  1042.576       30.59867  2.493439       6.740240  
1 1 1 -9  5  26 f 155.6031 1.998247  245.1945       5.993713  231.2399       9.741723  253.6948       7.603122  -7.248642      3.996493  
1 1 1 -9  5  27 o 55.22869 0.9777878 30.45912       1.078755  31.48437       1.572792  29.54834       1.482396  1.752033       1.955576  
1 1 1 -9  5  28 o 215.1149 3.189366  463.0885       13.70358  476.7075       20.00094  451.0392       18.81313  5.936584       6.378732  
1 1 1 -9  5  29 f 94.58105 1.481697  89.48740       2.802459  88.55324       3.925726  90.45817       4.001924  -1.006081      2.963394  
1 1 1 -9  5  30 o 80.04983 1.136466  62.03754       1.654634  59.33984       1.947191  69.04671       3.138661  -6.050812      2.272932  
1 1 1 -9  5  31 o 182.8464 2.086040  333.5403       7.510252  328.1204       9.759455  341.4106       11.76043  -3.593414      4.172079  
1 1 1 -9  5  32 o 208.7423 2.192573  436.3676       9.153619  435.8980       12.92418  436.8401       12.96626  -0.2246857     4.385146  
1 1 1 -9  5  33 o 144.7772 1.546172  209.2572       4.468093  202.1688       6.092271  217.5076       6.572721  -5.288803      3.092344  
1 1 1 -9  5  34 o 61.88934 0.7750438 38.15654       0.9567350 40.36104       1.418186  36.31526       1.296097  3.267319       1.550088  
1 1 1 -9  5  35 o 188.4378 1.989110  354.5906       7.476740  341.3059       10.14249  370.4019       11.06506  -7.691833      3.978219  
1 1 1 -9  5  36 o 62.51858 0.7837914 39.09737       0.9800248 39.27166       1.386642  38.92342       1.385287  0.2784882      1.567583  
1 1 1 -9  5  37 o 109.7513 1.205030  120.2750       2.640056  124.9589       3.879958  116.2367       3.602651  3.966507       2.410059  
1 1 1 -9  5  38 o 25.93090 0.6659339 6.687196       0.3439187 7.615137       0.5063236 5.892339       0.4686115 3.321295       1.331868  
1 1 1 -9  5  39 o 98.42603 1.101185  96.97535       2.167693  96.89552       3.070028  97.05472       3.061152  -0.8116150E-01 2.202370  
1 1 1 -9  5  40 o 35.50278 0.6473403 12.37863       0.4553932 14.76598       0.6995786 10.62314       0.5998983 5.832352       1.294681  
1 1 1 -9  5  41 o 60.29529 0.7732722 36.10270       0.9281377 39.22577       1.397669  33.63911       1.241359  4.628109       1.546544  
1 1 1 -9  5  42 o 108.8458 1.203414  118.4845       2.616169  114.9514       3.588690  122.4919       3.821960  -3.451271      2.406827  
1 1 1 -9  5  43 o 38.10059 0.6702300 14.52133       0.5106485 14.84087       0.7289350 14.21339       0.7155823 0.8230171      1.340460  
1 1 1 -9  5  44 o 157.1348 1.685017  247.9000       5.294308  251.0255       7.584408  244.9296       7.393795  1.922638       3.370034  
1 1 1 -9  5  45 o 38.54169 0.6791185 14.82711       0.5227952 13.93264       0.7192754 15.82888       0.7611921 -2.458374      1.358237  
1 1 1 -9  5  46 o 99.73586 1.124586  99.17339       2.233876  105.4083       3.348836  94.17484       2.998478  5.605042       2.249171  
1 1 1 -9  5  47 o 54.69361 0.7548316 29.91658       0.8252122 30.88041       1.192013  29.02954       1.143548  1.689461       1.509663  
1 1 1 -9  5  48 o 41.75396 0.7038202 17.45057       0.5876766 17.65860       0.8390011 17.25020       0.8234184 0.4881668      1.407640  
1 1 1 -9  5  49 o 59.24520 0.7931626 35.15456       0.9397950 35.35582       1.335230  34.95696       1.322996  0.3357391      1.586325  
1 1 1 -9  5  50 o 33.02313 0.7186841 10.89512       0.4740780 11.59661       0.6897689 10.26706       0.6526639 2.010311       1.437368  
1 1 1 -9  5  51 o 56.60431 0.7840798 32.01943       0.8862720 33.55857       1.298352  30.67649       1.212775  2.538490       1.568160  
1 1 1 -9  5  52 o 47.48035 0.7454760 22.57589       0.7077411 23.14046       1.013921  22.03942       0.9883623 1.157173       1.490952  
1 1 1 -9  5  53 o 42.27946 0.7424120 17.78711       0.6255144 19.52314       0.9332739 16.37121       0.8428437 3.718601       1.484824  
1 1 1 -9  5  54 o 71.52106 0.9149186 51.25866       1.307449  52.65260       1.899994  50.00491       1.801926  1.838570       1.829837  
1 1 1 -9  5  55 o 62.75918 0.8586347 39.50576       1.077683  39.65916       1.533482  39.35607       1.514836  0.2391281      1.717269  
1 1 1 -9  5  56 o 49.02454 0.7988459 24.10799       0.7830881 23.50265       1.106630  24.71514       1.108279  -1.236401      1.597692  
1 1 1 -9  5  57 o 41.90490 0.8643166 17.69382       0.7215466 18.86021       1.000999  16.43230       1.041019  2.903000       1.728633  
1 1 1 -9  5  58 o 30.60727 1.607082  9.217340       0.7852192 9.040268       0.8738496 9.959816       1.789387  -1.244785      3.214163  
1 1 1 -9  5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  5  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  6  1  o 455.3991 6.712378  2078.922       61.13140  2063.924       85.80790  2094.380       87.11259  -3.326508      13.42476  
1 1 1 -9  6  2  f 230.3316 2.406331  529.4796       11.06326  549.2242       16.26772  512.4900       15.09017  7.968597       4.812662  
1 1 1 -9  6  3  o 105.8048 1.146351  111.9383       2.425527  110.8904       3.400107  113.0241       3.461134  -1.008194      2.292702  
1 1 1 -9  6  4  o 325.1802 3.380449  1056.170       21.95095  1025.654       30.05757  1091.045       32.13290  -10.04065      6.760898  
1 1 1 -9  6  5  o 274.1054 2.854475  751.3073       15.64135  740.1234       21.73269  763.3261       22.52923  -4.227966      5.708950  
1 1 1 -9  6  6  o 436.0853 4.528158  1886.034       39.16776  2038.197       60.17318  1774.166       51.59431  30.19592       9.056316  
1 1 1 -9  6  7  f 487.6419 5.083986  2380.767       49.57045  2407.695       71.06513  2355.250       69.17930  5.358429       10.16797  
1 1 1 -9  6  8  o 459.6036 4.783875  2114.869       43.96924  2100.711       61.66442  2129.513       62.71262  -3.123352      9.567751  
1 1 1 -9  6  9  f 419.5178 4.356966  1760.724       36.53492  1793.234       52.75631  1730.764       50.64472  7.426910       8.713931  
1 1 1 -9  6  10 o 486.2700 5.056326  2368.042       49.17131  2373.242       69.99035  2362.975       69.09576  1.046356       10.11265  
1 1 1 -9  6  11 o 236.7038 2.469567  560.4821       11.69090  562.0877       16.59236  558.8991       16.47513  0.6729279      4.939133  
1 1 1 -9  6  12 o 617.3439 6.441509  3816.359       79.45567  3719.740       109.5023  3923.795       115.4696  -16.44128      12.88302  
1 1 1 -9  6  13 o 515.2147 5.362739  2657.357       55.22098  2604.081       76.40931  2715.607       79.89582  -10.77927      10.72548  
1 1 1 -9  6  14 o 190.1530 2.434383  364.5633       8.843587  371.5697       11.04200  352.0288       14.76904  5.160690       4.868766  
1 1 1 -9  6  15 o 139.2152 1.819785  193.0305       4.741508  191.5329       5.754825  196.1962       8.366760  -1.662292      3.639570  
1 1 1 -9  6  16 o 343.6445 5.056543  1181.334       34.69995  1148.708       47.53236  1218.561       50.77417  -10.11636      10.11309  
1 1 1 -9  6  17 o 329.7936 4.853155  1089.773       32.00721  1081.614       44.86824  1098.228       45.67252  -2.506714      9.706309  
1 1 1 -9  6  18 o 342.5970 5.040730  1174.109       34.47467  1216.252       50.63146  1137.683       47.07200  11.40479       10.08146  
1 1 1 -9  6  19 o 307.8491 3.911330  953.5087       22.88272  935.6438       38.80986  963.0290       28.33116  -4.603485      7.822660  
1 1 1 -9  6  20 f 271.5429 3.453072  742.5493       17.85564  724.8135       30.11226  752.1671       22.17471  -5.153473      6.906144  
1 1 1 -9  6  21 o 295.1308 3.072906  872.1417       18.13815  871.3729       25.62427  872.9137       25.67825  -0.2602539     6.145812  
1 1 1 -9  6  22 o 121.9072 1.311543  147.1530       3.171773  137.6651       4.177889  160.0611       4.873056  -9.180809      2.623085  
1 1 1 -9  6  23 o 133.1833 1.748625  176.5878       4.363076  179.9778       7.689013  174.9779       5.298772  1.852722       3.497249  
1 1 1 -9  6  24 o 386.2036 5.702894  1500.645       44.04491  1510.550       62.82511  1491.070       61.76622  2.481232       11.40579  
1 1 1 -9  6  25 o 132.2214 1.997997  173.4133       5.244932  162.8995       6.932592  187.4865       8.020721  -9.280930      3.995994  
1 1 1 -9  6  26 f 209.0958 3.103437  438.1292       12.97739  441.5648       18.48682  434.7914       18.22166  1.613052       6.206873  
1 1 1 -9  6  27 f 214.3486 2.763624  456.8190       11.04150  450.9557       13.33672  469.5945       19.68631  -4.213257      5.527248  
1 1 1 -9  6  28 o 123.9605 1.335194  153.7234       3.310187  153.2454       4.667382  154.2071       4.695366  -0.3875809     2.670388  
1 1 1 -9  6  29 o 225.0493 2.356843  506.7575       10.60039  496.6765       14.66062  517.8021       15.34523  -4.679108      4.713686  
1 1 1 -9  6  30 o 165.0804 1.747392  272.3648       5.762531  265.4478       7.924484  280.1270       8.394731  -4.438293      3.494785  
1 1 1 -9  6  31 o 233.8031 2.448127  546.9531       11.43615  533.9963       15.75704  561.3749       16.62410  -5.833069      4.896253  
1 1 1 -9  6  32 o 85.66875 0.9763345 73.08041       1.667065  69.64471       2.247646  77.28145       2.485415  -4.454536      1.952669  
1 1 1 -9  6  33 f 176.0067 1.859720  310.1212       6.545846  312.4248       9.333816  307.8916       9.182488  1.284332       3.719440  
1 1 1 -9  6  34 o 126.0698 1.361916  158.2669       3.419929  167.4582       5.121632  150.8711       4.594253  6.568153       2.723832  
1 1 1 -9  6  35 o 131.7342 1.419271  173.6872       3.739120  172.6626       5.254757  174.7382       5.321706  -0.7862701     2.838541  
1 1 1 -9  6  36 o 162.8249 1.730172  265.5200       5.633808  267.3335       8.030818  263.7626       7.905473  1.092438       3.460345  
1 1 1 -9  6  37 o 148.8309 1.590173  221.6916       4.730346  217.2658       6.551144  226.5127       6.837477  -3.096207      3.180345  
1 1 1 -9  6  38 f 93.45808 1.053971  86.70454       1.957827  93.62352       2.975717  81.42335       2.599777  6.516586       2.107942  
1 1 1 -9  6  39 o 49.34122 0.6966894 24.27483       0.6863104 22.93414       0.9377763 25.82108       1.007107  -2.923954      1.393379  
1 1 1 -9  6  40 o 71.53258 0.8602003 50.89319       1.225566  47.94477       1.644641  54.57496       1.837828  -4.628624      1.720401  
1 1 1 -9  6  41 o 106.9535 1.183463  114.1365       2.523819  109.2217       3.412600  120.0699       3.749592  -5.054642      2.366927  
1 1 1 -9  6  42 o 52.65180 0.7280450 27.63715       0.7649922 29.32788       1.128278  26.19859       1.040741  2.968769       1.456090  
1 1 1 -9  6  43 f 114.3942 1.260987  131.1562       2.884987  131.2845       4.084724  131.0286       4.075268  0.1112366      2.521973  
1 1 1 -9  6  44 o 92.23627 1.051401  85.21879       1.939517  85.39927       2.751529  85.04057       2.734335  0.1934738      2.102802  
1 1 1 -9  6  45 o 59.45822 0.7803361 35.38553       0.9278521 35.63950       1.323480  35.14005       1.301167  0.4189568      1.560672  
1 1 1 -9  6  46 o 26.32597 0.7274198 6.914941       0.3819051 7.698178       0.5563501 6.216991       0.5251870 2.811583       1.454840  
1 1 1 -9  6  47 o 40.27871 0.6892410 16.03402       0.5515473 18.16836       0.8404346 14.41940       0.7309805 4.648224       1.378482  
1 1 1 -9  6  48 o 29.31212 0.7086005 8.537278       0.4138358 9.462274       0.6175237 7.783193       0.5575633 2.860575       1.417201  
1 1 1 -9  6  49 o 24.03494 0.7741098 5.787508       0.3719440 5.578685       0.5254535 5.997216       0.5265649 -0.8705902     1.548220  
1 1 1 -9  6  50 o 61.42863 0.8214971 37.79301       1.008994  36.62037       1.411304  39.01908       1.443093  -1.949707      1.642994  
1 1 1 -9  6  51 f 7.568979 1.679230  0.5542775      0.3064480 0.1845377      0.4625290 0.8435763      0.4091327 -2.810383      3.358460  
1 1 1 -9  6  52 f 47.57158 0.7631408 22.26000       0.7186724 25.74204       1.117805  19.80646       0.9383088 6.221478       1.526282  
1 1 1 -9  6  53 o 52.84416 0.7892522 27.92695       0.8328263 29.10261       1.220349  26.90208       1.139402  2.073467       1.578504  
1 1 1 -9  6  54 o 75.41118 0.9422985 56.80318       1.416126  60.14191       2.113367  54.08241       1.907785  3.990067       1.884597  
1 1 1 -9  6  55 o 24.44487 0.9091385 6.030523       0.4381280 4.802249       0.6119922 7.321884       0.6275123 -5.151640      1.818277  
1 1 1 -9  6  56 f 15.70806 1.215116  2.458669       0.3776358 2.659089       0.5867755 2.316963       0.4933962 1.069637       2.430233  
1 1 1 -9  6  57 o 57.39612 0.9229972 32.95164       1.046229  32.27744       1.368636  33.89950       1.622803  -1.371704      1.845994  
1 1 1 -9  6  58 o 20.04684 2.276448  4.188935       0.7361185 4.183378       0.8364918 4.208012       1.549850  0.5844612      4.552896  
1 1 1 -9  6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  6  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  7  1  o 466.6842 6.856653  2183.559       63.98751  2206.826       91.48467  2161.274       89.53098  4.852417       13.71331  
1 1 1 -9  7  2  o 480.0790 4.997974  2308.061       47.98664  2301.123       67.52880  2315.138       68.20293  -1.452728      9.995948  
1 1 1 -9  7  3  o 39.16593 0.6130742 14.24617       0.4492454 12.49291       0.5342408 18.47919       0.8301159 -7.641834      1.226148  
1 1 1 -9  7  4  o 445.2855 5.052349  1970.655       44.08059  2059.210       70.42339  1913.609       56.52272  16.20532       10.10470  
1 1 1 -9  7  5  o 265.4532 2.767629  700.9346       14.61898  667.5497       19.53697  743.4091       22.03676  -14.27441      5.535259  
1 1 1 -9  7  6  o 176.5816 1.859814  311.2638       6.556757  321.7254       9.616615  302.1756       8.963142  5.533081       3.719629  
1 1 1 -9  7  7  o 285.3892 2.979239  814.2972       16.98950  801.5480       23.45814  828.3624       24.63889  -4.690491      5.958477  
1 1 1 -9  7  8  o 193.2553 2.024303  372.8362       7.811019  385.6258       11.45009  361.7035       10.68270  6.185959       4.048607  
1 1 1 -9  7  9  o 221.1397 2.311237  488.7347       10.21382  478.5685       14.10900  499.9289       14.80517  -4.826111      4.622474  
1 1 1 -9  7  10 o 620.2137 7.061197  3770.142       84.25177  4178.231       142.9175  3552.783       104.3031  49.79968       14.12239  
1 1 1 -9  7  11 o 442.0465 4.609192  1946.493       40.53569  1862.255       54.15522  2053.821       61.12837  -21.59119      9.218384  
1 1 1 -9  7  12 o 359.6237 3.740860  1294.021       26.89742  1273.624       37.46822  1315.710       38.63604  -5.840454      7.481720  
1 1 1 -9  7  13 o 268.3363 2.798020  720.4437       15.01559  722.9145       21.34708  718.0240       21.12516  0.9096069      5.596041  
1 1 1 -9  7  14 o 437.3367 4.536569  1912.939       39.62899  1968.843       57.82356  1863.425       54.41898  12.00873       9.073137  
1 1 1 -9  7  15 o 274.7450 3.305068  755.2399       18.15437  744.7519       25.27006  766.4267       26.09829  -3.936310      6.610136  
1 1 1 -9  7  16 o 258.2383 2.692154  667.3091       13.90421  665.8417       19.61352  668.7917       19.71392  -0.5702820     5.384307  
1 1 1 -9  7  17 f 329.1211 3.421249  1081.296       22.46281  1042.512       30.49506  1127.301       33.21313  -12.84784      6.842499  
1 1 1 -9  7  18 o 122.6012 1.322842  150.0643       3.239351  145.2697       4.444515  155.4974       4.731179  -4.169640      2.645685  
1 1 1 -9  7  19 o 202.7099 3.011016  405.6017       12.06118  376.5846       15.67519  447.7127       18.88352  -17.50165      6.022031  
1 1 1 -9  7  20 o 222.3958 6.604966  0.000000       0.000000  ?              ?         496.0868       29.37833  ?              ?         
1 1 1 -9  7  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  7  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  7  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  7  24 o 293.0568 4.325936  860.5574       25.31164  834.6027       34.60811  890.4092       37.11541  -9.438995      8.651873  
1 1 1 -9  7  25 o 118.1552 1.275882  139.6215       3.014408  141.3709       4.316665  137.9564       4.211321  1.443832       2.551764  
1 1 1 -9  7  26 f 163.7565 1.735530  266.1371       5.645554  250.6638       7.479918  286.6201       8.606037  -10.96335      3.471061  
1 1 1 -9  7  27 f 128.7124 1.382429  165.7404       3.558707  165.9790       5.039120  165.5031       5.026448  0.1847534      2.764858  
1 1 1 -9  7  28 f 293.0960 3.055920  861.0529       17.91353  861.7465       25.35814  860.3619       25.30905  0.2348938      6.111840  
1 1 1 -9  7  29 o 191.6131 2.015964  367.4225       7.723472  362.6336       10.76877  372.4951       11.08330  -2.567398      4.031928  
1 1 1 -9  7  30 o 148.9649 1.586345  221.8265       4.722017  216.7319       6.515538  227.4627       6.853124  -3.596359      3.172689  
1 1 1 -9  7  31 o 158.6270 1.684836  251.8457       5.345209  251.8804       7.557635  251.8110       7.560900  0.2195740E-01  3.369671  
1 1 1 -9  7  32 o 24.42006 0.6921480 5.949367       0.3352449 4.955271       0.4608359 7.066838       0.4885968 -4.323202      1.384296  
1 1 1 -9  7  33 o 210.0679 2.206920  441.0133       9.252451  458.1631       13.62530  426.3378       12.60417  7.544556       4.413841  
1 1 1 -9  7  34 o 170.8121 1.809940  292.1380       6.182273  295.1909       8.835320  289.2094       8.653621  1.745728       3.619879  
1 1 1 -9  7  35 o 33.56073 0.6561115 11.08177       0.4365262 9.406108       0.5787710 13.29271       0.6648175 -5.789415      1.312223  
1 1 1 -9  7  36 o 73.14220 0.8698951 53.49454       1.272115  52.45778       1.771851  54.59749       1.827524  -1.461662      1.739790  
1 1 1 -9  7  37 f 150.1877 1.604348  225.5853       4.812315  232.7915       7.032357  219.2389       6.599528  4.494934       3.208697  
1 1 1 -9  7  38 o 48.65827 0.6930214 23.53764       0.6719737 25.44074       1.004035  21.99355       0.9043858 3.540199       1.386043  
1 1 1 -9  7  39 o 62.90566 0.7897732 39.12188       0.9860216 35.96486       1.299949  43.39899       1.513083  -5.903305      1.579546  
1 1 1 -9  7  40 o 76.19199 0.8995291 57.72893       1.364634  54.36544       1.827919  61.96376       2.051066  -4.978706      1.799058  
1 1 1 -9  7  41 o 72.52965 0.8713673 52.60526       1.263127  53.96395       1.828048  51.36388       1.747346  1.789291       1.742735  
1 1 1 -9  7  42 o 84.53155 0.9790604 71.00838       1.646097  66.71986       2.192772  76.54552       2.491625  -5.797882      1.958121  
1 1 1 -9  7  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  7  44 o 74.81760 0.9001818 55.81191       1.342811  58.95291       1.996607  53.21782       1.814476  3.823532       1.800364  
1 1 1 -9  7  45 o 51.30958 0.7374541 26.35148       0.7566160 25.62899       1.065122  27.08742       1.074980  -1.420723      1.474908  
1 1 1 -9  7  46 o 38.90005 0.7020506 15.11815       0.5448694 13.69549       0.7541986 16.67134       0.7880384 -3.823341      1.404101  
1 1 1 -9  7  47 o 59.61313 0.7963399 35.46097       0.9471536 37.36326       1.400041  33.85558       1.286150  2.934845       1.592680  
1 1 1 -9  7  48 f 80.19040 0.9580908 64.42769       1.536037  65.26828       2.207561  63.63876       2.138646  1.010262       1.916182  
1 1 1 -9  7  49 o 28.79659 0.7475786 8.303740       0.4304099 8.375921       0.6178422 8.235679       0.5999357 0.2421532      1.495157  
1 1 1 -9  7  50 o 10.48416 1.586508  1.147864       0.3223231 1.221344       0.4652040 1.080019       0.4470078 0.6599007      3.173016  
1 1 1 -9  7  51 o 18.33113 0.9892462 3.367291       0.3621768 3.442463       0.5285594 3.300758       0.4972627 0.3828773      1.978492  
1 1 1 -9  7  52 o 48.13978 0.7718332 23.22436       0.7429342 22.53548       1.046347  23.92472       1.055042  -1.442059      1.543666  
1 1 1 -9  7  53 o 36.08083 0.7657272 12.96854       0.5503366 13.91303       0.8246824 12.21023       0.7389442 2.350742       1.531454  
1 1 1 -9  7  54 o 29.41072 0.8186109 8.593305       0.4790481 9.874203       0.7152112 7.551079       0.6451460 3.941101       1.637222  
1 1 1 -9  7  55 o 25.19611 0.9110221 6.472453       0.4503751 5.118315       0.6450025 7.760832       0.6291465 -5.246105      1.822044  
1 1 1 -9  7  56 o 15.11923 1.718553  2.058285       0.4610211 2.913450       0.9506225 1.795305       0.5271631 3.569505       3.437107  
1 1 1 -9  7  57 o 55.64775 1.802604  31.22023       2.006218  31.22023       2.006218  ?              ?         ?              ?         
1 1 1 -9  7  58 o 44.23170 2.336713  19.85954       2.067136  19.85954       2.067136  ?              ?         ?              ?         
1 1 1 -9  7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  7  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  8  1  o 322.1300 3.355650  1034.475       21.54936  1086.059       32.05513  991.9389       29.10835  14.58554       6.711300  
1 1 1 -9  8  2  o 395.8177 4.109812  1566.980       32.50839  1603.758       47.12233  1533.581       44.90536  8.843506       8.219625  
1 1 1 -9  8  3  o 340.4722 3.536360  1158.877       24.05732  1188.039       34.95301  1132.627       33.16197  8.122772       7.072719  
1 1 1 -9  8  4  o 203.8003 2.134433  414.6031       8.684049  402.0338       11.86071  429.1272       12.74961  -6.642639      4.268866  
1 1 1 -9  8  5  o 342.3702 3.564519  1168.186       24.32113  1117.896       32.78247  1229.753       36.27220  -16.30661      7.129037  
1 1 1 -9  8  6  o 181.8708 1.914943  329.1162       6.934448  313.6558       9.296756  348.5054       10.41117  -9.575821      3.829886  
1 1 1 -9  8  7  o 294.8156 3.065692  869.0492       18.06410  852.5960       25.00476  887.0097       26.12504  -5.828217      6.131384  
1 1 1 -9  8  8  o 305.5065 3.176827  933.4921       19.40189  949.8522       27.95076  918.2789       26.95325  5.159546       6.353653  
1 1 1 -9  8  9  o 528.1246 5.484799  2795.010       57.93072  2776.787       81.47120  2813.646       82.38933  -3.476868      10.96960  
1 1 1 -9  8  10 o 451.0826 4.683491  2032.956       42.16203  2112.701       62.10929  1964.801       57.41879  16.33612       9.366982  
1 1 1 -9  8  11 o 372.6912 3.873458  1390.532       28.87116  1399.189       41.03041  1382.043       40.63247  2.295959       7.746916  
1 1 1 -9  8  12 o 300.9333 3.129552  906.3218       18.83556  907.8919       26.70243  904.7669       26.57306  0.5180359      6.259104  
1 1 1 -9  8  13 o 137.6541 1.467669  189.4887       4.040043  191.3781       5.772095  187.6741       5.656622  1.344894       2.935338  
1 1 1 -9  8  14 o 266.5366 2.776785  710.1157       14.78779  728.1952       21.48903  693.8522       20.38112  6.432495       5.553571  
1 1 1 -9  8  15 o 339.6024 4.997199  1155.408       33.92221  1135.163       47.04217  1177.338       48.96189  -6.175812      9.994398  
1 1 1 -9  8  16 o 368.0285 4.669366  1363.488       32.65583  1338.750       55.39632  1376.663       40.42701  -5.414734      9.338732  
1 1 1 -9  8  17 o 190.4089 2.825212  361.8683       10.73268  349.0558       14.58215  377.0136       15.85411  -7.326401      5.650425  
1 1 1 -9  8  18 o 172.6760 2.576814  297.0724       8.867599  283.2958       11.94981  313.9560       13.22887  -8.862732      5.153628  
1 1 1 -9  8  19 o 134.2043 2.019607  180.1701       5.419781  178.1392       7.576824  182.2982       7.755766  -1.547668      4.039215  
1 1 1 -9  8  20 o 154.6589 2.000188  240.1586       5.868640  241.9476       7.247024  236.7506       10.00269  1.709946       4.000375  
1 1 1 -9  8  21 o 25.68183 0.5791241 6.571846       0.2966881 5.949095       0.4072514 7.276162       0.4331016 -2.583578      1.158248  
1 1 1 -9  8  22 o 74.65340 0.9440039 54.76472       1.370444  59.80871       2.256387  51.81648       1.725078  5.349464       1.888008  
1 1 1 -9  8  23 o 142.4897 1.886424  198.5920       4.911379  192.2346       5.812956  214.4524       9.181505  -7.748184      3.772848  
1 1 1 -9  8  24 f 86.90884 1.276128  74.61253       2.137763  72.15023       2.665910  79.04790       3.578005  -3.958984      2.552256  
1 1 1 -9  8  25 o 252.6962 3.740258  640.0543       18.89106  627.9898       26.16595  653.1893       27.30224  -4.952896      7.480517  
1 1 1 -9  8  26 o 183.4073 2.735544  336.9418       10.03408  338.4043       14.25557  335.5058       14.12599  0.7873230      5.471088  
1 1 1 -9  8  27 o 214.7166 3.188138  462.1883       13.69078  460.9429       19.30864  463.4475       19.41518  -0.5802765     6.376277  
1 1 1 -9  8  28 o 233.7399 3.008402  545.2407       13.16488  554.4290       23.21320  540.8842       15.98400  2.699799       6.016804  
1 1 1 -9  8  29 f 97.13067 1.325308  94.35715       2.421412  94.48775       4.215568  94.29284       2.958077  0.8401489E-01  2.650615  
1 1 1 -9  8  30 o 136.9427 1.466996  187.5023       4.015112  191.5843       5.808998  183.7683       5.555906  2.849747       2.933992  
1 1 1 -9  8  31 o 228.0684 2.390014  521.0605       10.90067  517.0107       15.28808  525.2486       15.54692  -1.798859      4.780029  
1 1 1 -9  8  32 o 162.8968 1.728171  265.6313       5.630065  264.2310       7.921108  267.0611       8.003765  -0.8668518     3.456343  
1 1 1 -9  8  33 o 180.1958 1.905011  325.1545       6.864355  328.3061       9.814931  322.1370       9.603839  1.705658       3.810022  
1 1 1 -9  8  34 o 188.5327 1.990000  355.5826       7.494267  366.1558       10.92993  346.2013       10.29549  5.271057       3.979999  
1 1 1 -9  8  35 o 97.64081 1.091396  95.40005       2.131272  94.98379       3.005446  95.82113       3.022777  -0.4283981     2.182792  
1 1 1 -9  8  36 o 93.29158 1.143872  84.84064       2.051074  95.14722       3.494785  79.42528       2.533245  8.400681       2.287744  
1 1 1 -9  8  37 o 74.49442 0.8844909 55.52874       1.317773  55.34861       1.866669  55.70770       1.860572  -0.2411728     1.768982  
1 1 1 -9  8  38 o 64.20778 0.8046778 41.13849       1.031208  42.93687       1.518378  39.59882       1.404918  2.596443       1.609356  
1 1 1 -9  8  39 o 113.3493 1.244904  128.6180       2.821039  130.6983       4.059153  126.6745       3.923412  1.769012       2.489807  
1 1 1 -9  8  40 f 43.98162 0.6833484 19.27902       0.5995006 20.36707       0.8881316 18.36829       0.8125455 2.270073       1.366697  
1 1 1 -9  8  41 o 49.90290 0.7176231 24.58803       0.7112631 22.03341       0.9415404 27.98361       1.085508  -5.957016      1.435246  
1 1 1 -9  8  42 o 35.77379 0.6757016 12.70953       0.4809549 13.73575       0.7264918 11.90884       0.6417157 2.550533       1.351403  
1 1 1 -9  8  43 o 83.16206 1.125590  69.07850       1.867216  72.14186       2.763102  66.50383       2.533143  3.375710       2.251180  
1 1 1 -9  8  44 o 29.95196 0.7044413 8.934967       0.4209085 9.628980       0.6227352 8.351237       0.5711176 2.130808       1.408883  
1 1 1 -9  8  45 f 75.76306 0.9133009 56.77242       1.371201  62.72792       2.120280  52.49105       1.797734  6.735191       1.826602  
1 1 1 -9  8  46 o 16.37338 0.9933212 2.693605       0.3240454 2.588626       0.4738672 2.785817       0.4441169 -0.6043186     1.986642  
1 1 1 -9  8  47 o 52.78321 0.7618506 27.89805       0.8041992 27.43349       1.134005  28.36807       1.140643  -0.8848839     1.523701  
1 1 1 -9  8  48 o 49.97793 0.7512621 24.93307       0.7493472 26.25398       1.104442  23.80630       1.020055  2.442852       1.502524  
1 1 1 -9  8  49 o 43.36615 0.7331588 18.71715       0.6327435 19.99179       0.9536934 17.71488       0.8456809 2.616951       1.466318  
1 1 1 -9  8  50 o 53.51514 0.7782069 28.63769       0.8315821 29.63366       1.218130  27.76841       1.138022  1.735771       1.556414  
1 1 1 -9  8  51 o 26.71890 0.8018982 7.164069       0.4278785 6.942390       0.6160681 7.370650       0.5947195 -0.8035164     1.603796  
1 1 1 -9  8  52 o 42.63004 0.7536362 17.98845       0.6383737 20.31540       0.9721228 16.22422       0.8464595 4.785782       1.507272  
1 1 1 -9  8  53 o 23.97235 0.8928264 5.752879       0.4269929 5.926428       0.6301413 5.605540       0.5806131 0.6631069      1.785653  
1 1 1 -9  8  54 o 42.33220 1.047084  17.85566       0.8616405 18.61439       1.406633  17.39999       1.090094  1.385895       2.094168  
1 1 1 -9  8  55 o 20.10877 1.563080  4.120814       0.6178445 3.908990       0.9526554 4.274593       0.8117012 -0.9453259     3.126159  
1 1 1 -9  8  56 o 22.32460 1.210100  4.634259       0.5162850 3.773242       0.6270677 6.446175       0.9096574 -5.925901      2.420200  
1 1 1 -9  8  57 o 22.70719 1.829141  5.060029       0.6011413 4.978611       0.6519706 5.521959       1.552933  -0.9125748     3.658281  
1 1 1 -9  8  58 o 35.06033 2.154199  12.45302       1.510539  12.45302       1.510539  ?              ?         ?              ?         
1 1 1 -9  8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  9  1  o 171.7820 1.813988  295.1647       6.232111  294.7967       8.786616  295.5373       8.840706  -0.2152710     3.627975  
1 1 1 -9  9  2  o 501.3014 5.210634  2510.216       52.08362  2420.844       70.48127  2617.732       77.30554  -19.54028      10.42127  
1 1 1 -9  9  3  o 365.8073 3.804556  1330.613       27.66582  1418.425       41.96542  1263.112       36.79350  21.17523       7.609111  
1 1 1 -9  9  4  o 530.9847 5.521543  2825.446       58.62587  2855.244       83.89278  2797.005       81.96001  5.455078       11.04309  
1 1 1 -9  9  5  o 215.5957 2.253252  464.7724       9.711823  457.6369       13.50457  472.4157       13.97678  -3.424515      4.506505  
1 1 1 -9  9  6  o 410.6589 4.264043  1688.546       35.01664  1674.368       49.04511  1703.288       50.01104  -3.509918      8.528086  
1 1 1 -9  9  7  o 508.0793 5.290485  2586.811       53.75351  2609.440       76.72141  2564.993       75.33541  4.353455       10.58097  
1 1 1 -9  9  8  o 244.5484 2.551039  597.7050       12.46559  612.7740       18.09948  584.1068       17.19341  5.854660       5.102077  
1 1 1 -9  9  9  o 548.3932 5.722075  3005.160       62.58149  3148.247       92.78776  2885.753       84.76283  23.79767       11.44415  
1 1 1 -9  9  10 o 176.7329 1.859150  310.2064       6.531831  332.0212       9.910357  293.4518       8.685219  10.90482       3.718301  
1 1 1 -9  9  11 o 404.7003 4.201167  1640.235       34.00066  1653.948       48.50921  1626.992       47.67017  3.319061       8.402334  
1 1 1 -9  9  12 f 510.7023 5.755556  2622.609       58.40162  2559.453       87.17174  2674.042       78.66631  -11.38406      11.51111  
1 1 1 -9  9  13 o 174.2142 2.242512  304.1823       7.402002  302.0329       12.67342  305.2951       9.118995  -0.9646606     4.485023  
1 1 1 -9  9  14 o 108.4433 2.044546  115.7284       4.088439  122.5992       7.488275  112.8104       4.879976  4.492859       4.089092  
1 1 1 -9  9  15 o 117.2391 1.779779  135.6966       4.128191  149.4625       6.429375  126.0403       5.384818  9.981255       3.559558  
1 1 1 -9  9  16 o 141.9149 2.128449  201.1791       6.032894  195.4658       8.275678  207.6587       8.813278  -4.290619      4.256898  
1 1 1 -9  9  17 o 135.9843 1.740358  187.8586       4.630286  201.4106       6.088946  169.2764       7.130025  11.82423       3.480717  
1 1 1 -9  9  18 o 245.6109 2.563339  603.7836       12.59064  599.5223       17.67046  608.1782       17.94442  -1.758392      5.126679  
1 1 1 -9  9  19 o 243.5459 2.544418  593.4626       12.38793  584.1779       17.21015  603.4455       17.84547  -3.946335      5.088836  
1 1 1 -9  9  20 o 259.5787 2.707860  674.4347       14.05321  665.0638       19.56967  684.4125       20.19350  -3.716156      5.415721  
1 1 1 -9  9  21 o 265.5806 2.770232  704.4684       14.67939  733.5400       21.67200  679.8238       19.95386  10.07892       5.540464  
1 1 1 -9  9  22 o 203.0337 2.129537  412.3914       8.642877  420.0721       12.46532  405.2806       11.99404  3.634720       4.259073  
1 1 1 -9  9  23 o 271.9495 2.838391  740.7916       15.43554  734.0795       21.60191  747.7936       22.06371  -2.510895      5.676781  
1 1 1 -9  9  24 o 18.58226 0.6772611 3.492000       0.2488990 3.057956       0.3640988 3.872776       0.3410256 -2.192591      1.354522  
1 1 1 -9  9  25 o 72.81401 0.8545299 52.95996       1.243258  54.52050       1.806458  51.55560       1.713675  2.035294       1.709060  
1 1 1 -9  9  26 o 298.8731 3.115663  894.3885       18.60548  917.4155       27.03797  873.6783       25.64176  7.278687       6.231327  
1 1 1 -9  9  27 f 135.5612 1.452374  183.8676       3.937675  183.4106       5.554368  184.3293       5.583172  -0.3384705     2.904749  
1 1 1 -9  9  28 o 106.9332 1.428612  115.7117       2.934905  119.3245       3.702474  109.6034       4.814256  4.560913       2.857224  
1 1 1 -9  9  29 o 140.3186 2.127317  197.1518       5.969732  198.2700       8.494484  196.0605       8.391412  0.7849579      4.254634  
1 1 1 -9  9  30 o 108.4915 1.688939  117.5258       3.657500  122.1916       5.379234  113.5142       4.987881  3.991531       3.377877  
1 1 1 -9  9  31 o 86.44875 1.397376  74.66396       2.412858  77.06924       3.522563  72.53793       3.311777  2.617065       2.794751  
1 1 1 -9  9  32 o 120.3147 1.851789  144.9414       4.455353  143.5205       6.239481  146.4196       6.364005  -1.201317      3.703578  
1 1 1 -9  9  33 o 209.0561 2.699987  437.9931       10.62638  440.0796       18.47890  436.9622       12.98886  0.5065613      5.399974  
1 1 1 -9  9  34 o 67.19067 1.012789  44.64003       1.262411  46.58530       2.279085  43.77901       1.516272  2.073616       2.025577  
1 1 1 -9  9  35 o 19.10200 0.8158036 3.703013       0.3062851 2.958270       0.4380764 4.415189       0.4283912 -3.813700      1.631607  
1 1 1 -9  9  36 o 144.2786 1.546275  208.4913       4.461226  206.2683       6.244447  210.8089       6.375858  -1.568207      3.092550  
1 1 1 -9  9  37 o 95.40133 1.074256  91.10548       2.049687  90.60311       2.891035  91.61323       2.906417  -0.5288849     2.148513  
1 1 1 -9  9  38 o 54.39754 0.7376260 29.56940       0.8019822 28.52457       1.110455  30.70854       1.159481  -2.006172      1.475252  
1 1 1 -9  9  39 o 24.17923 0.7251635 5.788231       0.3484457 6.783800       0.5214490 4.985038       0.4683670 3.718092       1.450327  
1 1 1 -9  9  40 o 59.09418 0.7696747 34.93889       0.9095517 34.32319       1.274594  35.57774       1.298335  -1.060658      1.539349  
1 1 1 -9  9  41 o 46.07381 0.6996082 21.24160       0.6446143 21.29156       0.9182968 21.19306       0.9050912 0.1064415      1.399216  
1 1 1 -9  9  42 o 62.46639 1.142488  38.68764       1.419300  35.22676       1.889385  43.16995       2.150200  -6.342052      2.284977  
1 1 1 -9  9  43 o 51.87496 0.7393333 26.86542       0.7657030 28.04686       1.124269  25.84329       1.045727  2.120621       1.478667  
1 1 1 -9  9  44 o 57.74032 0.7781413 33.31015       0.8976855 31.75674       1.236917  35.03884       1.304842  -2.838593      1.556283  
1 1 1 -9  9  45 f 26.95058 0.7334704 7.292166       0.3940128 6.948184       0.5727126 7.601288       0.5429170 -1.213200      1.466941  
1 1 1 -9  9  46 o 16.00448 1.067515  2.656863       0.3240670 1.696604       0.4581480 3.618396       0.4584520 -6.003893      2.135031  
1 1 1 -9  9  47 o 82.18896 0.9779339 67.63909       1.606049  69.31650       2.331463  66.12432       2.215560  1.931999       1.955868  
1 1 1 -9  9  48 o 56.94375 0.7895983 32.44354       0.8983619 33.34568       1.305952  31.63318       1.237742  1.498226       1.579197  
1 1 1 -9  9  49 f 36.04482 0.7488447 13.01060       0.5385596 11.83271       0.7518420 14.25195       0.7718277 -3.354275      1.497689  
1 1 1 -9  9  50 o 33.14461 0.7445495 11.01054       0.4924372 10.93453       0.7197636 11.07743       0.6751940 -0.2194672     1.489099  
1 1 1 -9  9  51 o 22.24590 1.142330  4.275863       0.4516926 6.602446       0.9386417 3.574728       0.5152777 6.742004       2.284661  
1 1 1 -9  9  52 o 51.32749 1.128041  26.46109       1.154600  26.64367       1.701761  26.30535       1.571688  0.3096123      2.256083  
1 1 1 -9  9  53 f 18.02131 1.665211  3.352022       0.5875037 2.804220       0.8750429 3.801634       0.7927506 -2.786890      3.330422  
1 1 1 -9  9  54 o 18.53255 1.058568  3.497170       0.3871122 3.006820       0.5668002 3.925868       0.5299721 -2.485468      2.117136  
1 1 1 -9  9  55 o 11.53263 1.620103  1.391640       0.3595272 1.412436       0.5304013 1.373964       0.4890133 0.1332922      3.240206  
1 1 1 -9  9  56 o 9.623768 1.825977  0.9271426      0.3708629 1.389321       0.5606852 0.5676546      0.4944885 3.705569       3.651954  
1 1 1 -9  9  57 f 21.55873 1.793532  4.424407       0.6373906 4.207926       0.7130194 5.285553       1.422101  -2.260138      3.587065  
1 1 1 -9  9  58 o 10.64201 3.822869  1.020743       1.038821  1.020743       1.038821  ?              ?         ?              ?         
1 1 1 -9  9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  9  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  10 1  f 364.3878 3.789357  1328.468       27.59524  1356.801       39.95674  1302.630       38.15659  7.410339       7.578714  
1 1 1 -9  10 2  o 272.7583 2.840579  744.4788       15.49501  740.1956       21.77903  748.8693       22.04998  -1.587463      5.681158  
1 1 1 -9  10 3  f 281.1217 2.926794  790.9144       16.45569  790.8750       23.25673  790.9540       23.28702  -0.1376343E-01 5.853588  
1 1 1 -9  10 4  o 377.8543 3.923599  1429.590       29.64794  1419.277       41.57644  1440.260       42.28969  -2.767517      7.847198  
1 1 1 -9  10 5  o 437.7893 4.552217  1916.994       39.79178  1973.819       58.29387  1867.414       54.45066  12.09573       9.104435  
1 1 1 -9  10 6  o 152.7778 1.617911  233.2632       4.940180  238.6867       7.148908  228.3061       6.834624  3.395615       3.235823  
1 1 1 -9  10 7  o 300.9093 3.130871  904.2559       18.80469  875.8234       25.64701  937.3122       27.65394  -10.19608      6.261741  
1 1 1 -9  10 8  o 373.0789 3.875413  1391.908       28.88075  1432.301       42.11754  1356.057       39.67858  10.18561       7.750825  
1 1 1 -9  10 9  o 193.0259 2.487673  370.0553       8.954970  380.4537       15.95289  365.2712       10.82059  3.887787       4.975346  
1 1 1 -9  10 10 f 207.8603 3.085668  427.3681       12.69298  399.5427       16.58131  466.7522       19.72685  -16.13078      6.171337  
1 1 1 -9  10 11 o 602.6585 8.895387  3652.157       106.9135  3812.781       158.4665  3517.956       144.8468  23.98511       17.79077  
1 1 1 -9  10 12 o 127.7895 1.932453  163.1909       4.933311  166.9968       7.181226  159.7896       6.788811  2.816803       3.864905  
1 1 1 -9  10 13 o 125.7799 1.623462  160.5702       3.973157  169.4269       5.143703  147.4690       6.255972  8.736542       3.246923  
1 1 1 -9  10 14 o 162.4264 1.717510  263.6106       5.573609  257.3917       7.676395  270.5443       8.105657  -4.045319      3.435020  
1 1 1 -9  10 15 o 247.5758 2.585309  612.9802       12.79160  600.4506       17.68498  626.7275       18.52430  -5.295959      5.170619  
1 1 1 -9  10 16 o 194.6993 2.043780  378.5786       7.945409  367.2067       10.87009  391.6243       11.64266  -6.262161      4.087560  
1 1 1 -9  10 17 o 228.4903 2.390282  522.2422       10.91716  513.4698       15.14397  531.7337       15.75240  -3.988281      4.780565  
1 1 1 -9  10 18 o 60.75957 0.7421594 36.92042       0.9018599 36.79507       1.272664  37.04686       1.278199  -0.2071762     1.484319  
1 1 1 -9  10 19 o 39.61295 0.6002406 15.55268       0.4732613 17.19852       0.7129802 14.25635       0.6327624 3.713322       1.200481  
1 1 1 -9  10 20 o 162.4331 1.718302  264.0098       5.582135  263.2426       7.874529  264.7847       7.914282  -0.4741821     3.436604  
1 1 1 -9  10 21 o 157.9829 1.674067  249.7054       5.288739  252.0160       7.555193  247.4852       7.405856  1.431931       3.348134  
1 1 1 -9  10 22 o 168.1668 1.776210  282.9724       5.973475  285.0230       8.514832  280.9850       8.382268  1.198715       3.552420  
1 1 1 -9  10 23 o 117.5436 1.275846  136.6356       2.972133  149.6107       4.590408  127.2701       3.899953  9.496216       2.551692  
1 1 1 -9  10 24 o 184.9215 1.948233  342.2424       7.204950  344.2272       10.25788  340.3097       10.12215  1.057037       3.896466  
1 1 1 -9  10 25 o 177.0166 1.868662  313.4555       6.612653  318.9508       9.525893  308.3445       9.186734  2.990204       3.737323  
1 1 1 -9  10 26 o 273.0756 2.851210  747.1289       15.56881  739.0668       21.75908  755.5860       22.28559  -3.010651      5.702420  
1 1 1 -9  10 27 o 182.8642 1.928383  333.4794       7.030153  319.8778       9.498657  349.9551       10.45416  -8.205399      3.856766  
1 1 1 -9  10 28 o 130.9695 1.410737  171.4899       3.692810  167.9006       5.111298  175.4093       5.341125  -2.863098      2.821474  
1 1 1 -9  10 29 o 305.9326 3.192701  939.0458       19.53486  937.0493       27.55856  941.0620       27.69486  -0.6507874     6.385402  
1 1 1 -9  10 30 o 74.15144 0.8824488 54.51820       1.300076  51.06793       1.723146  59.07758       1.980841  -5.397964      1.764898  
1 1 1 -9  10 31 o 52.30344 0.7106875 27.30527       0.7426349 26.05437       1.022406  28.70233       1.080488  -2.530724      1.421375  
1 1 1 -9  10 32 f 213.4433 2.243339  456.3359       9.571177  448.1283       13.27294  465.2271       13.81468  -3.985703      4.486677  
1 1 1 -9  10 33 o 101.8111 1.387730  103.7597       2.663585  103.7552       3.261710  103.7687       4.614887  0.2843475E-01  2.775461  
1 1 1 -9  10 34 o 156.4312 2.165207  243.5765       6.566001  238.0951       8.275811  252.8890       10.78684  -4.607437      4.330415  
1 1 1 -9  10 35 o 154.4488 2.337578  239.4247       7.219230  236.5540       10.08673  242.4395       10.33693  -1.890335      4.675155  
1 1 1 -9  10 36 o 52.80111 1.029107  27.76666       1.083950  25.91762       1.470608  29.96616       1.603928  -3.829563      2.058214  
1 1 1 -9  10 37 o 63.33171 1.130851  40.15357       1.432290  40.58521       2.039063  39.73317       2.012328  0.6716614      2.261702  
1 1 1 -9  10 38 f 48.09840 0.9885579 23.11240       0.9499855 22.05219       1.308708  24.29329       1.381185  -2.326939      1.977116  
1 1 1 -9  10 39 o 103.3948 1.421616  105.9706       2.725467  110.3893       4.921640  104.0163       3.273173  2.978760       2.843233  
1 1 1 -9  10 40 o 78.01870 0.9260688 60.92111       1.444546  61.61920       2.073970  60.26333       2.013180  0.8662720      1.852138  
1 1 1 -9  10 41 f 61.62895 0.7994949 37.54844       0.9771980 41.59620       1.505197  34.59942       1.284766  5.667301       1.598990  
1 1 1 -9  10 42 o 86.44966 1.423038  74.92113       2.459092  76.47055       3.548738  73.48987       3.410729  1.713051       2.846075  
1 1 1 -9  10 43 o 39.62868 0.6936457 15.71774       0.5494701 15.72024       0.7901448 15.71540       0.7646197 0.4985809E-02  1.387291  
1 1 1 -9  10 44 o 33.88112 0.7009865 11.41527       0.4728202 12.25509       0.7113500 10.75058       0.6328503 2.216412       1.401973  
1 1 1 -9  10 45 o 68.23361 0.8589076 46.56515       1.171249  44.84464       1.619010  48.45428       1.696498  -2.640007      1.717815  
1 1 1 -9  10 46 o 73.57886 0.9050209 54.22516       1.331564  53.11197       1.862216  55.38976       1.904736  -1.544594      1.810042  
1 1 1 -9  10 47 o 46.59309 0.7337255 21.60896       0.6810926 23.22432       1.019424  20.30653       0.9153757 3.123806       1.467451  
1 1 1 -9  10 48 o 31.21091 0.7576168 9.730630       0.4686470 8.038918       0.6433913 11.64266       0.6840056 -5.770008      1.515234  
1 1 1 -9  10 49 o 46.29634 1.069750  21.08037       0.9773615 24.16641       1.543005  19.01258       1.263047  5.532219       2.139500  
1 1 1 -9  10 50 f 53.71159 1.132952  28.97438       1.215886  27.28547       1.704597  30.72376       1.734845  -3.196453      2.265904  
1 1 1 -9  10 51 o 58.81264 1.005794  34.93604       1.132898  35.48362       1.417697  33.96856       1.884447  1.350365       2.011589  
1 1 1 -9  10 52 o 62.57894 0.8498798 39.21305       1.062868  37.54908       1.469770  41.03712       1.538854  -2.778652      1.699760  
1 1 1 -9  10 53 o 31.22245 0.8036919 9.700412       0.4988202 10.42636       0.7572752 9.144012       0.6629702 2.042412       1.607384  
1 1 1 -9  10 54 o 26.45142 0.8940018 7.076841       0.4634630 5.375546       0.6453401 8.888924       0.6660205 -6.638170      1.788004  
1 1 1 -9  10 55 o 57.09169 0.8379557 32.66471       0.9553350 33.46407       1.396780  31.96210       1.309531  1.302509       1.675911  
1 1 1 -9  10 56 o 38.78916 0.9689174 15.14691       0.7307959 15.23936       0.9320111 14.99934       1.177513  0.3526421      1.937835  
1 1 1 -9  10 57 f 42.17656 1.472239  17.40280       1.098723  16.74816       1.272962  19.31518       2.175716  -2.783337      2.944479  
1 1 1 -9  10 58 o 59.44835 1.715930  35.66690       2.040184  35.66690       2.040184  ?              ?         ?              ?         
1 1 1 -9  10 59 o 18.23173 3.516403  3.557158       1.236445  3.557158       1.236445  ?              ?         ?              ?         
1 1 1 -9  10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  11 1  o 444.0133 4.613957  1975.979       40.96528  1997.623       58.62487  1955.327       57.26633  4.736877       9.227915  
1 1 1 -9  11 2  o 137.6471 1.468733  189.2907       4.039182  184.8775       5.563635  194.2093       5.873484  -3.387909      2.937467  
1 1 1 -9  11 3  o 90.69390 1.005644  82.22392       1.823473  80.85342       2.538283  83.68553       2.621281  -1.561020      2.011287  
1 1 1 -9  11 4  o 249.6659 2.603876  623.6855       12.99978  617.2108       18.18440  630.4531       18.59127  -2.647751      5.207753  
1 1 1 -9  11 5  o 127.3853 1.364367  160.5176       3.444888  149.8397       4.523034  175.2684       5.316108  -9.976608      2.728735  
1 1 1 -9  11 6  o 197.8354 2.559516  386.0522       9.345048  406.2417       17.06366  377.4024       11.16891  7.227432       5.119031  
1 1 1 -9  11 7  o 184.2296 2.730824  339.6838       10.06142  337.6855       14.14023  341.7331       14.31946  -1.096481      5.461648  
1 1 1 -9  11 8  o 290.6380 4.284789  834.1371       24.59051  773.6940       31.88930  922.7992       38.62250  -25.52679      8.569578  
1 1 1 -9  11 9  o 138.9501 2.082941  192.1130       5.761630  203.7882       8.662355  182.8496       7.715880  7.525772       4.165882  
1 1 1 -9  11 10 o 94.05324 1.247446  89.76743       2.284631  94.81930       2.962667  82.35612       3.588431  6.629166       2.494891  
1 1 1 -9  11 11 o 125.3440 1.344411  157.1490       3.370260  156.8564       4.757435  157.4438       4.775150  -0.2342377     2.688821  
1 1 1 -9  11 12 o 352.2386 3.662756  1242.679       25.79602  1259.694       37.01087  1226.604       35.97342  4.677917       7.325512  
1 1 1 -9  11 13 f 188.2629 2.806473  354.3086       10.55331  364.8737       15.40211  344.9591       14.48899  5.275467       5.612945  
1 1 1 -9  11 14 o 358.2778 3.725890  1286.416       26.69766  1289.945       37.88120  1282.933       37.63242  0.9733887      7.451780  
1 1 1 -9  11 15 o 121.0625 1.305420  146.5406       3.159589  148.7956       4.542470  144.4270       4.397712  1.803154       2.610840  
1 1 1 -9  11 16 o 125.3628 1.348153  156.9282       3.375318  152.2583       4.626676  162.2414       4.935077  -3.978989      2.696306  
1 1 1 -9  11 17 o 297.4134 3.098408  885.7520       18.42172  901.1674       26.53714  871.4140       25.59299  4.981537       6.196815  
1 1 1 -9  11 18 o 82.97208 0.9379014 68.79614       1.555337  70.42654       2.250181  67.30458       2.152245  1.880630       1.875803  
1 1 1 -9  11 19 o 81.39269 0.9254540 66.09744       1.503810  63.68425       2.053541  68.88806       2.208298  -3.195587      1.850908  
1 1 1 -9  11 20 o 36.94013 0.5867966 13.59928       0.4326458 14.39370       0.6371989 12.91979       0.5893103 1.994774       1.173593  
1 1 1 -9  11 21 o 130.0321 1.395050  169.0100       3.625485  172.8689       5.246618  165.4833       5.015601  2.837387       2.790100  
1 1 1 -9  11 22 o 52.36141 0.6888815 27.07912       0.7157943 30.15277       1.099372  24.81729       0.9430788 5.093994       1.377763  
1 1 1 -9  11 23 o 35.96449 0.6204339 12.72790       0.4425790 10.93498       0.5862227 15.10433       0.6749078 -5.796009      1.240868  
1 1 1 -9  11 24 o 79.62881 0.9209986 62.00418       1.443170  56.03107       1.850795  71.26939       2.305078  -9.564537      1.841997  
1 1 1 -9  11 25 o 173.9565 1.839217  302.8612       6.398453  304.9212       9.112009  300.8575       8.986846  1.165848       3.678434  
1 1 1 -9  11 26 o 44.49719 0.6579434 19.62773       0.5826836 21.63891       0.8784297 18.04753       0.7786429 4.034840       1.315887  
1 1 1 -9  11 27 o 239.9468 2.511395  576.8497       12.05163  574.1896       16.96156  579.5618       17.12681  -1.114914      5.022790  
1 1 1 -9  11 28 o 51.99156 0.7099744 26.28961       0.7264064 31.37188       1.161195  23.02200       0.9310878 8.028118       1.419949  
1 1 1 -9  11 29 o 172.3255 1.823067  297.2863       6.282475  299.7901       8.967600  294.8729       8.804175  1.422821       3.646135  
1 1 1 -9  11 30 f 83.32420 0.9610583 68.48319       1.584688  76.01921       2.467193  63.19075       2.067569  7.692070       1.922117  
1 1 1 -9  11 31 o 201.8622 2.124942  407.7801       8.569017  397.4219       11.78441  419.4019       12.48254  -5.419952      4.249883  
1 1 1 -9  11 32 o 117.4242 1.280323  137.4845       2.997420  144.3416       4.455366  131.8145       4.051362  5.324211       2.560646  
1 1 1 -9  11 33 o 163.0543 1.733829  265.9594       5.646770  274.1092       8.242202  258.7505       7.751818  4.690628       3.467658  
1 1 1 -9  11 34 o 25.40066 0.6918483 6.468813       0.3505175 5.959755       0.4980856 6.968259       0.4933612 -1.985277      1.383697  
1 1 1 -9  11 35 o 99.58936 1.112796  99.28512       2.216426  99.46299       3.143509  99.10927       3.125566  0.1769867      2.225593  
1 1 1 -9  11 36 o 48.93671 0.6984811 23.83430       0.6812709 25.43147       1.016265  22.53073       0.9181187 2.961460       1.396962  
1 1 1 -9  11 37 o 66.71371 0.8259156 44.00789       1.092882  48.60751       1.682326  40.64951       1.437521  5.956661       1.651831  
1 1 1 -9  11 38 o 59.66067 0.7739931 35.56387       0.9224252 36.72886       1.345054  34.52949       1.267417  1.840565       1.547986  
1 1 1 -9  11 39 f 53.57376 0.9033613 29.22621       0.9325322 30.75397       1.188512  26.77925       1.504145  3.722733       1.806723  
1 1 1 -9  11 40 o 47.83265 1.009587  22.85990       0.9646831 21.71023       1.326747  24.14949       1.405164  -2.545696      2.019174  
1 1 1 -9  11 41 o 67.63450 1.217097  45.81148       1.645380  46.90231       2.377117  44.80816       2.279773  1.541641       2.434195  
1 1 1 -9  11 42 o 20.70917 1.164060  4.294550       0.4719368 3.196225       0.6445856 5.563567       0.6928655 -5.712334      2.328119  
1 1 1 -9  11 43 o 49.27873 1.036118  24.26835       1.019497  25.50679       1.495117  23.19210       1.393784  2.341213       2.072236  
1 1 1 -9  11 44 o 47.83070 1.033455  22.63600       0.9822717 20.13759       1.305186  25.89953       1.491709  -6.009243      2.066910  
1 1 1 -9  11 45 o 44.55852 0.8863589 19.85300       0.7383904 19.99901       1.302512  19.78385       0.8963350 0.2120171      1.772718  
1 1 1 -9  11 46 f 11.11276 1.819127  1.327637       0.3666462 1.095277       0.7149046 1.410567       0.4270916 -1.477962      3.638254  
1 1 1 -9  11 47 o 36.99765 1.046581  13.66014       0.7706034 14.42927       1.160047  13.05269       1.030937  1.846329       2.093163  
1 1 1 -9  11 48 o 63.65824 1.200069  40.23569       1.514631  44.18252       2.335315  37.36998       1.989925  5.305458       2.400139  
1 1 1 -9  11 49 o 27.95076 0.7927220 7.861775       0.4412884 7.268139       0.6366129 8.410849       0.6122519 -2.046459      1.585444  
1 1 1 -9  11 50 f 44.25681 0.7540446 19.49692       0.6639575 20.87132       1.002559  18.42319       0.8861374 2.754253       1.508089  
1 1 1 -9  11 51 f 82.57172 1.000423  68.24755       1.648106  71.15782       2.434689  65.78605       2.239122  3.225975       2.000846  
1 1 1 -9  11 52 o 42.10768 0.7705514 17.79852       0.6479313 17.19188       0.9320496 18.36584       0.9013478 -1.397446      1.541103  
1 1 1 -9  11 53 o 10.85688 1.650516  1.174104       0.3601241 1.835730       0.5506611 0.6796553      0.4760351 5.259503       3.301032  
1 1 1 -9  11 54 o 12.12878 1.612575  1.588778       0.3729381 1.071271       0.5513933 2.025126       0.5063139 -4.091865      3.225150  
1 1 1 -9  11 55 o 49.23744 0.8711745 24.19697       0.8503612 23.34384       1.121876  25.34902       1.303682  -2.008053      1.742349  
1 1 1 -9  11 56 o 7.764370 2.070809  0.4570078      0.4399107 0.5255321      0.6038539 0.3795121      0.6421678 0.3557458      4.141618  
1 1 1 -9  11 57 o 17.56074 1.570457  3.167234       0.5399898 2.427996       0.7616956 3.914152       0.7656415 -4.230221      3.140913  
1 1 1 -9  11 58 f 14.08584 2.803214  2.099392       0.7616878 2.099392       0.7616878 ?              ?         ?              ?         
1 1 1 -9  11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  11 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  12 1  o 280.7672 2.925413  788.2860       16.40957  809.7281       23.87798  769.0966       22.58891  7.216461       5.850827  
1 1 1 -9  12 2  o 99.46859 1.307248  100.5253       2.542072  90.57884       3.923705  107.7202       3.337163  -8.620331      2.614495  
1 1 1 -9  12 3  o 198.4391 2.939385  394.2032       11.66389  397.5035       16.67246  391.0397       16.32353  1.623505       5.878771  
1 1 1 -9  12 4  o 386.8217 5.695093  1500.920       44.00142  1461.425       60.40086  1545.581       64.23036  -10.76825      11.39019  
1 1 1 -9  12 5  o 182.5629 2.711215  332.9073       9.879883  344.8035       14.52497  322.6639       13.47820  6.049255       5.422431  
1 1 1 -9  12 6  o 301.8331 3.898529  891.4278       21.41599  862.5161       25.27522  965.0167       40.32416  -16.68536      7.797059  
1 1 1 -9  12 7  o 362.4923 3.768948  1314.597       27.28640  1355.414       39.86456  1278.616       37.42816  10.54559       7.537896  
1 1 1 -9  12 8  o 221.6102 2.317984  491.4347       10.27249  487.3751       14.39243  495.6504       14.66645  -1.863770      4.635969  
1 1 1 -9  12 9  o 110.8808 1.203912  120.7578       2.631153  135.7289       4.168923  110.8462       3.392089  11.21542       2.407824  
1 1 1 -9  12 10 o 334.5818 3.480274  1121.581       23.28858  1119.677       32.86729  1123.501       33.00319  -0.5689087     6.960548  
1 1 1 -9  12 11 o 420.8436 4.375050  1772.875       36.75611  1835.995       53.97714  1718.299       50.19110  13.88721       8.750099  
1 1 1 -9  12 12 o 245.0787 3.628041  601.9863       17.78283  604.0201       25.23413  599.9799       25.06417  0.8205109      7.256082  
1 1 1 -9  12 13 o 146.4724 1.559973  210.9809       4.505803  235.9902       7.122878  194.2968       5.817741  14.21931       3.119945  
1 1 1 -9  12 14 f 162.5840 1.720152  263.9261       5.583250  273.3938       8.196441  255.7301       7.626180  5.425415       3.440305  
1 1 1 -9  12 15 o 73.72622 0.8580954 54.36019       1.265238  54.83756       1.798395  53.89235       1.780375  0.6409149      1.716191  
1 1 1 -9  12 16 o 235.5898 2.464184  555.6238       11.60809  562.4672       16.63040  549.1217       16.21029  2.824219       4.928369  
1 1 1 -9  12 17 o 110.1121 1.198596  120.5466       2.626919  128.5695       3.955518  114.2159       3.513659  6.513458       2.397193  
1 1 1 -9  12 18 o 171.7190 1.812654  294.7848       6.219858  288.2180       8.583190  302.0464       9.025915  -4.020081      3.625308  
1 1 1 -9  12 19 o 296.9084 3.093596  883.3690       18.36971  887.1871       26.10320  879.6230       25.85595  1.267853       6.187193  
1 1 1 -9  12 20 o 76.62919 0.8922468 56.18308       1.324280  69.02443       2.238426  49.26836       1.642573  12.88641       1.784494  
1 1 1 -9  12 21 o 249.8977 2.610927  625.3509       13.04630  617.9644       18.21755  633.1272       18.69210  -3.023178      5.221854  
1 1 1 -9  12 22 f 133.9101 1.435686  178.0470       3.820915  191.1816       5.807076  168.0193       5.073994  8.638992       2.871371  
1 1 1 -9  12 23 o 101.6499 1.121236  102.7287       2.268747  97.24465       3.035897  109.6651       3.414324  -6.105453      2.242472  
1 1 1 -9  12 24 o 110.8337 1.211513  121.8312       2.667354  114.3624       3.533217  131.7288       4.067341  -7.827934      2.423025  
1 1 1 -9  12 25 o 278.2643 2.904602  776.1924       16.16332  770.2425       22.66707  782.3475       23.05462  -2.163055      5.809205  
1 1 1 -9  12 26 o 206.6918 2.172038  427.8218       8.978160  430.5606       12.79139  425.1622       12.60474  1.301331       4.344076  
1 1 1 -9  12 27 o 282.1801 2.947299  797.7833       16.61833  817.5840       24.12369  779.9003       22.92579  6.634399       5.894598  
1 1 1 -9  12 28 f 67.63951 0.8228363 45.73736       1.112742  44.81030       1.548986  46.72594       1.599541  -1.415504      1.645673  
1 1 1 -9  12 29 o 216.4034 2.275378  467.4907       9.814621  491.3289       14.61828  447.9259       13.24330  9.979370       4.550756  
1 1 1 -9  12 30 o 87.41585 0.9970511 76.14583       1.738198  72.62878       2.352795  80.37209       2.579134  -4.425232      1.994102  
1 1 1 -9  12 31 o 85.25160 0.9773878 71.60861       1.647279  79.88065       2.576697  65.89101       2.142221  8.196449       1.954776  
1 1 1 -9  12 32 o 28.01743 0.6817298 7.521711       0.3736442 10.05869       0.6004339 5.918406       0.4773258 7.386856       1.363460  
1 1 1 -9  12 33 o 66.54260 0.8196639 43.81012       1.082282  48.14122       1.661902  40.62063       1.426158  5.645924       1.639328  
1 1 1 -9  12 34 o 104.9367 1.162988  109.4672       2.426949  117.3124       3.675252  103.4009       3.231799  6.612633       2.325977  
1 1 1 -9  12 35 o 21.56451 0.7465540 4.663807       0.3209839 4.484946       0.4672609 4.823633       0.4416965 -0.7859287     1.493108  
1 1 1 -9  12 36 o 80.69965 0.9429680 64.18830       1.504546  71.66515       2.352665  59.01462       1.957044  7.823929       1.885936  
1 1 1 -9  12 37 o 40.05785 0.6641384 16.04885       0.5317995 16.24025       0.7664360 15.87116       0.7384979 0.4598694      1.328277  
1 1 1 -9  12 38 o 60.34241 0.7814245 35.98310       0.9348315 39.85904       1.442599  33.17722       1.227418  5.528721       1.562849  
1 1 1 -9  12 39 o 17.32331 0.8583734 3.034438       0.2944094 2.658198       0.4283733 3.371238       0.4052997 -2.059040      1.716747  
1 1 1 -9  12 40 o 72.60147 1.247633  51.94619       1.792150  47.07220       2.334953  58.93409       2.795818  -8.137787      2.495266  
1 1 1 -9  12 41 o 128.4876 1.620895  164.7884       4.145055  155.9794       5.542356  175.9695       6.244188  -7.711082      3.241790  
1 1 1 -9  12 42 o 24.61931 0.7574167 6.004319       0.3704138 6.610085       0.5654757 5.549035       0.4902331 2.150946       1.514833  
1 1 1 -9  12 43 o 33.75410 0.7669978 11.08785       0.5009916 12.64353       0.8416519 10.23416       0.6234792 3.557079       1.533996  
1 1 1 -9  12 44 o 40.18918 1.012037  16.20490       0.8123482 15.85925       1.172421  16.52407       1.126615  -0.8308983     2.024074  
1 1 1 -9  12 45 o 34.38373 1.539477  11.85788       1.058659  11.85788       1.058659  ?              ?         ?              ?         
1 1 1 -9  12 46 o 26.91277 1.159404  7.257048       0.6240553 7.257048       0.6240553 ?              ?         ?              ?         
1 1 1 -9  12 47 o 109.6791 1.748814  121.3201       3.833989  123.9778       5.535938  118.8702       5.314970  2.287025       3.497628  
1 1 1 -9  12 48 o 31.58402 1.038528  9.901064       0.6506847 8.303805       0.8749400 11.87770       0.9733155 -5.645802      2.077056  
1 1 1 -9  12 49 o 34.43150 1.054370  11.90635       0.7255307 11.81695       1.044221  11.98978       1.008806  -0.2557831     2.108739  
1 1 1 -9  12 50 o 61.88017 1.181925  38.49694       1.462747  38.33372       2.066033  38.66099       2.071250  -0.2635994     2.363849  
1 1 1 -9  12 51 o 39.22954 0.9235957 15.06456       0.6753805 16.48157       1.220904  14.43974       0.8107213 2.548153       1.847191  
1 1 1 -9  12 52 o 42.21071 0.9329204 16.79355       0.7180544 20.55616       1.381153  15.39985       0.8405864 6.032082       1.865841  
1 1 1 -9  12 53 o 37.67073 0.7900545 14.20548       0.5924693 14.51962       0.8857184 13.95109       0.7970367 0.7425690      1.580109  
1 1 1 -9  12 54 o 39.69421 0.7983243 15.79422       0.6317794 14.13979       0.8786135 17.56549       0.9091086 -4.310818      1.596649  
1 1 1 -9  12 55 o 22.41449 1.051016  5.036416       0.4700073 5.289852       0.6948014 4.822601       0.6381834 1.031145       2.102031  
1 1 1 -9  12 56 o 10.02682 2.198936  1.032186       0.4851975 1.037534       0.7159303 1.027643       0.6598421 0.1106768      4.397873  
1 1 1 -9  12 57 o 22.81837 1.886416  4.102445       0.7306268 3.174933       0.8120915 8.042069       1.673680  -10.29391      3.772831  
1 1 1 -9  12 58 o 23.50105 2.630028  5.644954       1.236168  5.644954       1.236168  ?              ?         ?              ?         
1 1 1 -9  12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  13 1  o 238.6711 3.523919  569.8381       16.79407  588.8970       24.59915  553.2000       22.98384  7.442139       7.047837  
1 1 1 -9  13 2  o 250.3751 3.697275  627.5916       18.49294  644.3029       26.93065  612.6801       25.43898  6.280640       7.394550  
1 1 1 -9  13 3  o 67.18365 0.9632051 44.11103       1.198792  42.50367       1.432715  47.86356       2.189100  -3.984520      1.926410  
1 1 1 -9  13 4  f 306.9316 3.195404  943.6685       19.61391  950.2000       27.94548  937.3271       27.53559  2.088928       6.390808  
1 1 1 -9  13 5  f 310.1887 3.229399  962.2613       20.00405  935.4464       27.40363  992.8495       29.26833  -9.215485      6.458798  
1 1 1 -9  13 6  o 261.6685 2.730136  685.0681       14.27830  699.7654       20.64907  671.6024       19.76505  5.366241       5.460271  
1 1 1 -9  13 7  f 306.0038 3.186201  938.0906       19.49957  940.8747       27.65750  935.3388       27.49632  0.9012451      6.372403  
1 1 1 -9  13 8  o 119.2698 1.291184  141.7047       3.069669  149.2441       4.571743  135.5152       4.142293  5.751732       2.582368  
1 1 1 -9  13 9  o 114.8383 1.242845  131.8955       2.854129  133.1752       4.077267  130.6658       3.996637  1.091919       2.485689  
1 1 1 -9  13 10 o 216.4586 2.266763  468.6895       9.807251  460.0139       13.58920  478.1199       14.16800  -4.173065      4.533526  
1 1 1 -9  13 11 o 103.1765 1.614479  106.5110       3.331516  106.8044       4.718017  106.2192       4.704959  0.2834473      3.228958  
1 1 1 -9  13 12 f 146.8304 1.568049  215.6776       4.604344  217.8611       6.564509  213.5631       6.459807  1.462311       3.136097  
1 1 1 -9  13 13 f 195.8814 2.057876  383.9319       8.059765  389.2785       11.56263  378.8789       11.24064  2.649277       4.115753  
1 1 1 -9  13 14 o 122.4739 1.318767  150.0579       3.230284  150.1913       4.573450  149.9250       4.563189  0.1086121      2.637533  
1 1 1 -9  13 15 o 69.87973 0.8228865 48.58345       1.145720  51.69263       1.713017  46.06683       1.541160  4.024223       1.645773  
1 1 1 -9  13 16 o 99.86095 1.198391  100.0714       2.381069  103.3268       3.238961  96.24341       3.512303  3.549164       2.396782  
1 1 1 -9  13 17 o 86.43997 0.9777105 74.72816       1.690183  75.37363       2.404808  74.09809       2.376012  0.7376022      1.955421  
1 1 1 -9  13 18 o 68.16743 0.8134041 46.26973       1.105440  48.97357       1.644751  44.04208       1.492912  3.616180       1.626808  
1 1 1 -9  13 19 o 185.0735 1.949491  341.4088       7.190267  359.1145       10.72389  326.9482       9.691457  8.672623       3.898983  
1 1 1 -9  13 20 o 217.0113 2.275012  471.5280       9.873477  468.6203       13.87236  474.5131       14.05585  -1.353943      4.550025  
1 1 1 -9  13 21 o 182.6596 1.925102  333.6061       7.026184  342.0246       10.20417  326.0164       9.688892  4.372681       3.850205  
1 1 1 -9  13 22 o 226.5639 2.372632  514.0621       10.75001  510.0829       15.07702  518.1770       15.33179  -1.780258      4.745265  
1 1 1 -9  13 23 o 183.9848 1.941107  337.8893       7.125307  325.5011       9.680098  352.5385       10.52643  -7.330414      3.882215  
1 1 1 -9  13 24 o 141.2359 1.510212  199.2791       4.259998  193.5654       5.842458  205.7651       6.224796  -4.312531      3.020424  
1 1 1 -9  13 25 o 207.6584 2.182328  431.8755       9.063099  434.4483       12.89681  429.3653       12.73896  1.219818       4.364655  
1 1 1 -9  13 26 o 126.6335 1.366772  160.4675       3.461525  160.8812       4.911622  160.0593       4.879211  0.3239594      2.733543  
1 1 1 -9  13 27 o 144.1450 1.541173  207.8513       4.440761  204.0658       6.162326  211.9409       6.405075  -2.726151      3.082346  
1 1 1 -9  13 28 o 82.42428 0.9505598 67.46641       1.558436  72.60343       2.357771  63.48080       2.076792  5.529648       1.901120  
1 1 1 -9  13 29 o 72.05356 0.8624789 51.93608       1.242836  51.98207       1.766540  51.89101       1.748863  0.6291962E-01  1.724958  
1 1 1 -9  13 30 o 75.51830 0.8922251 56.61182       1.339767  61.07339       2.031512  53.17777       1.782290  5.222931       1.784450  
1 1 1 -9  13 31 o 59.74576 0.7639778 35.70906       0.9128696 35.39021       1.288859  36.03002       1.293136  -0.5353622     1.527956  
1 1 1 -9  13 32 o 79.13626 0.9265555 61.84938       1.452183  68.39420       2.251896  57.19000       1.900039  7.070198       1.853111  
1 1 1 -9  13 33 o 98.22980 1.099571  96.34128       2.155606  100.3198       3.175596  92.94158       2.935513  3.747246       2.199141  
1 1 1 -9  13 34 o 25.26585 0.6906405 6.365008       0.3480055 6.660872       0.5159304 6.118025       0.4713884 1.073225       1.381281  
1 1 1 -9  13 35 o 103.4833 1.151297  107.2101       2.382282  105.7071       3.327022  108.7915       3.412722  -1.486443      2.302594  
1 1 1 -9  13 36 o 21.42632 0.7433158 4.571642       0.3176396 4.897519       0.4712525 4.300324       0.4299973 1.392235       1.486632  
1 1 1 -9  13 37 o 43.07122 0.6807523 18.54588       0.5855585 18.86030       0.8545073 18.26753       0.8040075 0.6865005      1.361505  
1 1 1 -9  13 38 o 31.30534 0.6793090 9.814178       0.4244908 9.056384       0.5973814 10.58707       0.6033038 -2.444567      1.358618  
1 1 1 -9  13 39 f 54.44987 1.064507  28.89320       1.143001  24.73201       1.476224  35.12198       1.806113  -9.521694      2.129015  
1 1 1 -9  13 40 o 32.02931 1.012734  9.867366       0.6354483 13.02419       1.018261  7.853804       0.8132360 8.059006       2.025469  
1 1 1 -9  13 41 o 147.6786 2.262996  219.9401       6.676123  213.6236       9.177380  227.0397       9.729742  -4.455627      4.525991  
1 1 1 -9  13 42 o 38.26276 0.9992239 13.77323       0.7404904 18.86513       1.247235  11.00135       0.9202271 10.25285       1.998448  
1 1 1 -9  13 43 o 41.97594 0.8566424 17.51427       0.6911001 17.17239       0.8610578 18.13326       1.158604  -1.124020      1.713285  
1 1 1 -9  13 44 f 42.96635 0.7219228 18.48961       0.6201481 18.28761       0.8859822 18.68364       0.8683279 -0.4619827     1.443846  
1 1 1 -9  13 45 o 38.17425 0.7166590 14.56940       0.5459445 13.25717       0.7565700 15.99507       0.7885893 -3.583748      1.433318  
1 1 1 -9  13 46 o 29.46881 0.7470708 8.681480       0.4386441 8.888995       0.6525088 8.510380       0.5924972 0.6376457      1.494142  
1 1 1 -9  13 47 o 33.14799 0.7529482 10.99170       0.4965170 9.506053       0.6865947 12.62035       0.7188795 -4.694761      1.505896  
1 1 1 -9  13 48 o 27.64996 0.7977293 7.684321       0.4366902 6.337077       0.6086715 9.113364       0.6268772 -5.018604      1.595459  
1 1 1 -9  13 49 o 63.35361 0.8538471 40.15454       1.080610  37.92094       1.488161  42.64589       1.571683  -3.719387      1.707694  
1 1 1 -9  13 50 o 47.56372 0.7730889 22.58801       0.7326435 23.66072       1.093761  21.71499       0.9867164 2.033653       1.546178  
1 1 1 -9  13 51 o 71.32956 0.9178503 51.04649       1.309036  51.52080       1.876861  50.59722       1.826672  0.6406097      1.835701  
1 1 1 -9  13 52 o 28.12711 1.008215  7.883028       0.5516539 7.673372       0.6985925 8.230331       0.8991346 -0.9564896     2.016430  
1 1 1 -9  13 53 o 39.62556 0.9551936 14.99658       0.7173251 13.52329       0.8667645 18.19896       1.277893  -5.830479      1.910387  
1 1 1 -9  13 54 o 12.72217 1.931968  1.654671       0.4932126 2.450082       0.7359981 1.006320       0.6644866 5.637331       3.863937  
1 1 1 -9  13 55 o 15.57687 1.683779  2.466248       0.5242873 2.407699       0.7472339 2.523018       0.7358065 -0.3739815     3.367557  
1 1 1 -9  13 56 o 38.18089 1.131823  14.68568       0.8622169 13.35046       1.202528  16.09836       1.236917  -3.590088      2.263646  
1 1 1 -9  13 57 o 11.04381 2.787514  1.123361       0.6815095 1.186478       0.7611942 0.8683614      1.530001  -0.7341003     5.575027  
1 1 1 -9  13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  13 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  14 1  o 232.9611 2.437730  542.8118       11.34700  530.0626       15.64122  556.9758       16.48626  -5.759918      4.875460  
1 1 1 -9  14 2  o 162.5969 1.719885  263.0139       5.565602  279.5105       8.382185  250.0063       7.443126  9.060028       3.439770  
1 1 1 -9  14 3  o 275.4801 2.873730  760.2370       15.83215  755.9227       22.24476  764.6661       22.53819  -1.580292      5.747460  
1 1 1 -9  14 4  o 174.5669 1.841455  304.9633       6.429086  305.5614       9.114631  304.3712       9.069736  0.3402405      3.682909  
1 1 1 -9  14 5  o 104.4641 1.141868  109.1476       2.385491  110.0301       3.399862  108.2919       3.347924  0.8314972      2.283735  
1 1 1 -9  14 6  o 59.77243 0.7397733 35.36341       0.8784482 32.70869       1.163100  38.88859       1.340284  -5.168480      1.479547  
1 1 1 -9  14 7  o 193.0961 2.030110  372.3620       7.825119  386.2720       11.50050  360.3705       10.67800  6.693527       4.060221  
1 1 1 -9  14 8  o 79.86467 0.9123185 63.31830       1.449186  68.20620       2.193590  59.53275       1.930452  5.428162       1.824637  
1 1 1 -9  14 9  f 302.5103 3.152133  917.0861       19.06891  909.8567       26.72940  924.5791       27.21210  -2.421082      6.304266  
1 1 1 -9  14 10 o 185.7879 1.957997  345.3810       7.273847  341.3544       10.15985  349.6153       10.41857  -2.219131      3.915994  
1 1 1 -9  14 11 f 180.9739 1.914079  326.7581       6.911097  341.9166       10.21288  313.9526       9.386819  7.713425       3.828159  
1 1 1 -9  14 12 o 507.3540 5.283945  2589.989       53.61658  2591.541       75.87395  2588.442       75.77673  0.3013916      10.56789  
1 1 1 -9  14 13 o 144.5372 1.540414  207.1706       4.420192  194.7891       5.841909  223.7515       6.760380  -10.00800      3.080829  
1 1 1 -9  14 14 o 296.1473 3.087633  878.8746       18.28735  875.6264       25.74583  882.1822       25.98018  -1.101135      6.175266  
1 1 1 -9  14 15 o 212.4551 2.229070  451.7207       9.468592  458.4491       13.59617  445.3845       13.19411  3.067322       4.458140  
1 1 1 -9  14 16 o 202.9416 2.130397  411.9841       8.641097  420.7169       12.49782  403.9858       11.96059  4.112274       4.260794  
1 1 1 -9  14 17 o 71.81148 0.8500060 51.18438       1.213635  55.09920       1.840693  48.17370       1.614202  4.820274       1.700012  
1 1 1 -9  14 18 o 207.1216 2.176246  428.2376       8.992019  412.6519       12.20675  446.7295       13.29626  -8.204681      4.352492  
1 1 1 -9  14 19 o 113.0182 1.230454  127.7711       2.781091  126.7614       3.905899  128.8094       3.960790  -0.9053879     2.460907  
1 1 1 -9  14 20 o 265.0184 2.768152  703.6608       14.66829  694.9490       20.46269  712.8690       21.03743  -3.364899      5.536303  
1 1 1 -9  14 21 o 181.9171 1.920027  331.2695       6.985160  328.6412       9.803942  333.9792       9.954802  -1.464066      3.840053  
1 1 1 -9  14 22 o 108.4056 1.189696  116.4375       2.559963  108.9426       3.379610  126.5264       3.921111  -8.103058      2.379391  
1 1 1 -9  14 23 o 110.1545 1.207902  120.8067       2.650793  115.1008       3.564772  127.8645       3.964597  -5.787918      2.415804  
1 1 1 -9  14 24 o 201.7471 2.122558  407.6610       8.564108  409.5481       12.17181  405.8109       12.05204  0.9229736      4.245117  
1 1 1 -9  14 25 o 157.5276 1.675282  247.9299       5.269320  240.2346       7.207112  256.7675       7.723550  -5.235199      3.350564  
1 1 1 -9  14 26 o 115.8102 1.262853  134.2054       2.924815  135.0207       4.165966  133.4128       4.107286  0.6930084      2.525706  
1 1 1 -9  14 27 o 237.3836 2.489294  563.8087       11.79399  545.2285       16.07374  585.4783       17.35872  -8.423920      4.978588  
1 1 1 -9  14 28 o 49.22005 0.6973630 24.21433       0.6860223 24.70665       0.9921263 23.76328       0.9496323 0.9577370      1.394726  
1 1 1 -9  14 29 o 138.6998 1.489782  191.9466       4.120536  184.0722       5.576498  201.4162       6.115345  -6.234406      2.979565  
1 1 1 -9  14 30 o 58.81201 0.7592558 34.50761       0.8917493 32.83653       1.221467  36.41481       1.304913  -3.040565      1.518512  
1 1 1 -9  14 31 o 89.73536 1.020419  80.39658       1.827738  83.58557       2.688274  77.65527       2.492445  3.298538       2.040837  
1 1 1 -9  14 32 o 178.7630 1.895667  320.0146       6.766800  310.3753       9.262618  331.0472       9.909501  -5.741699      3.791334  
1 1 1 -9  14 33 o 53.21054 0.7241675 28.32971       0.7705599 27.74137       1.088299  28.92117       1.091180  -1.108540      1.448335  
1 1 1 -9  14 34 o 76.38606 0.9042988 58.24892       1.379232  55.82005       1.885352  61.04530       2.022967  -3.415215      1.808598  
1 1 1 -9  14 35 o 47.53920 0.6987159 22.60822       0.6638166 22.75176       0.9591463 22.47626       0.9196555 0.2885132      1.397432  
1 1 1 -9  14 36 o 94.59507 1.074144  88.51716       2.013741  81.93846       2.641261  97.64986       3.112010  -8.280411      2.148288  
1 1 1 -9  14 37 o 155.4597 1.666841  242.6459       5.182107  244.0947       7.384159  241.2400       7.274289  0.9086304      3.333681  
1 1 1 -9  14 38 o 43.15886 0.9843349 18.61746       0.8475748 16.85918       1.172590  20.54123       1.226532  -4.262787      1.968670  
1 1 1 -9  14 39 o 120.2922 1.871819  145.4901       4.500971  147.8041       6.489665  143.3454       6.247887  1.826004       3.743639  
1 1 1 -9  14 40 o 85.07219 1.288893  72.06587       2.137996  70.24652       2.718905  75.01344       3.460726  -2.735336      2.577786  
1 1 1 -9  14 41 o 77.04489 0.9281554 59.33585       1.427780  61.53607       2.093690  57.42314       1.952107  2.659859       1.856311  
1 1 1 -9  14 42 o 40.40278 0.7117858 16.34951       0.5743029 15.22146       0.8075333 17.50395       0.8169218 -2.824135      1.423572  
1 1 1 -9  14 43 o 56.98149 0.7832993 32.42484       0.8905878 33.83228       1.314583  31.23091       1.210774  2.275478       1.566599  
1 1 1 -9  14 44 o 53.29736 0.7688446 28.46183       0.8193118 27.92489       1.164906  28.98745       1.152556  -0.9977684     1.537689  
1 1 1 -9  14 45 o 10.43454 1.522508  1.140694       0.3099101 0.9535267      0.4652323 1.290002       0.4155258 -1.789679      3.045017  
1 1 1 -9  14 46 o 40.98041 0.7403454 16.83201       0.6058469 16.66958       0.8794266 16.97875       0.8358289 -0.3809204     1.480691  
1 1 1 -9  14 47 o 34.27713 0.7516924 11.75759       0.5134276 11.94440       0.7620314 11.60228       0.6948082 0.4927330      1.503385  
1 1 1 -9  14 48 o 12.74322 1.447875  1.746290       0.3429580 1.208513       0.5101274 2.189832       0.4632815 -4.040593      2.895750  
1 1 1 -9  14 49 o 40.85921 0.7604488 16.66663       0.6195381 17.55313       0.9205278 15.93258       0.8376439 1.974262       1.520898  
1 1 1 -9  14 50 o 49.73440 0.7887455 24.75435       0.7831798 22.76801       1.084850  26.91636       1.131809  -4.165077      1.577491  
1 1 1 -9  14 51 o 58.13551 0.8338092 33.91403       0.9689185 33.63188       1.390846  34.18007       1.350557  -0.4769325     1.667618  
1 1 1 -9  14 52 o 21.95038 1.002473  4.907680       0.4304622 3.728024       0.6070843 6.100495       0.6104606 -5.403584      2.004946  
1 1 1 -9  14 53 o 48.40359 0.8027692 23.51070       0.7757810 23.41932       1.129840  23.59220       1.067088  -0.1876144     1.605538  
1 1 1 -9  14 54 o 24.43233 0.9877011 6.002434       0.4825683 6.106069       0.6815067 5.898220       0.6834066 0.4257259      1.975402  
1 1 1 -9  14 55 o 30.30615 1.156789  9.141010       0.6963550 10.73311       1.049755  7.889905       0.9305708 4.662102       2.313579  
1 1 1 -9  14 56 o 23.21640 1.363182  5.458842       0.6322036 5.234973       0.9027151 5.674338       0.8856704 -0.9513607     2.726365  
1 1 1 -9  14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  14 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  15 1  o 84.27330 1.378100  70.72659       2.315452  75.01553       3.444685  67.19147       3.127355  4.638664       2.756200  
1 1 1 -9  15 2  o 100.9692 1.597084  102.0031       3.225083  102.3708       4.575536  101.6400       4.546514  0.3615112      3.194168  
1 1 1 -9  15 3  o 422.4689 6.247552  1799.542       52.77313  1777.180       73.60023  1823.205       75.70941  -5.344666      12.49510  
1 1 1 -9  15 4  o 80.29880 1.152315  62.59936       1.677975  68.98624       3.192182  60.16082       1.972464  5.484581       2.304630  
1 1 1 -9  15 5  f 378.0399 4.246025  1437.344       31.88071  1412.373       47.76503  1457.406       42.81269  -6.119232      8.492049  
1 1 1 -9  15 6  o 352.1445 3.666835  1243.407       25.81934  1258.102       36.98433  1229.437       36.06128  4.043854       7.333669  
1 1 1 -9  15 7  o 144.3390 1.538143  208.0383       4.433074  215.2833       6.495132  201.7200       6.065522  4.693283       3.076286  
1 1 1 -9  15 8  o 80.15495 1.326459  64.16360       2.124004  66.49303       3.095583  62.09132       2.919716  2.743927       2.652917  
1 1 1 -9  15 9  f 157.6366 1.672424  248.4076       5.268435  254.3786       7.637320  242.9866       7.277110  3.608551       3.344849  
1 1 1 -9  15 10 o 339.9790 3.540509  1159.194       24.07387  1157.404       33.98570  1160.997       34.10580  -0.5250244     7.081018  
1 1 1 -9  15 11 o 203.5451 2.137634  414.5401       8.698257  407.9275       12.08810  421.6403       12.52597  -3.360641      4.275268  
1 1 1 -9  15 12 o 175.6923 1.854192  308.8546       6.513872  305.2560       9.096784  312.6416       9.331720  -2.098099      3.708384  
1 1 1 -9  15 13 o 348.0973 3.626737  1215.427       25.24360  1202.567       35.26334  1228.944       36.15297  -3.760132      7.253473  
1 1 1 -9  15 14 o 54.18826 0.7109579 29.10983       0.7663065 27.00922       1.020602  31.82444       1.160214  -4.442150      1.421916  
1 1 1 -9  15 15 o 163.4142 1.730627  266.9791       5.651331  273.5023       8.198119  261.0726       7.801037  3.796753       3.461255  
1 1 1 -9  15 16 o 200.4199 2.108145  400.6606       8.423053  384.6348       11.37919  420.0837       12.52742  -8.820541      4.216290  
1 1 1 -9  15 17 o 141.3536 1.511526  199.8544       4.271728  202.9435       6.138318  196.9535       5.948429  2.115952       3.023051  
1 1 1 -9  15 18 f 79.37911 0.9164112 62.91212       1.452862  65.09941       2.123265  60.98634       1.992298  2.589523       1.832822  
1 1 1 -9  15 19 o 129.6450 1.396845  166.8696       3.599201  157.2376       4.779316  179.4889       5.470487  -8.571159      2.793690  
1 1 1 -9  15 20 f 180.4029 1.904530  325.7369       6.870000  329.8243       9.845861  321.8589       9.590467  2.202179       3.809060  
1 1 1 -9  15 21 o 81.03506 0.9370431 65.36205       1.513519  61.96100       2.040678  69.52026       2.256423  -4.661781      1.874086  
1 1 1 -9  15 22 o 192.2868 2.025713  370.2506       7.789498  373.2277       11.11489  367.3772       10.91973  1.516205       4.051426  
1 1 1 -9  15 23 o 55.43540 0.7338425 30.51350       0.8103513 28.25500       1.088220  33.32474       1.214106  -4.571320      1.467685  
1 1 1 -9  15 24 o 146.6142 1.566567  214.8502       4.587498  221.5079       6.698141  208.9681       6.295928  4.266556       3.133134  
1 1 1 -9  15 25 o 89.76385 1.020057  80.53436       1.829950  78.61425       2.530024  82.64092       2.650026  -2.240883      2.040113  
1 1 1 -9  15 26 o 121.9384 1.325387  148.7336       3.230595  151.6326       4.660832  146.0529       4.481922  2.283424       2.650774  
1 1 1 -9  15 27 o 32.46568 0.6447341 10.54680       0.4181925 9.941351       0.5890407 11.16211       0.5938151 -1.880003      1.289468  
1 1 1 -9  15 28 o 36.96686 0.6467646 13.38941       0.4730897 15.78836       0.7363318 11.70296       0.6173770 5.523941       1.293529  
1 1 1 -9  15 29 o 108.8458 1.199024  118.5966       2.609992  119.3015       3.717302  117.9112       3.665417  0.6369324      2.398048  
1 1 1 -9  15 30 f 148.2376 1.586875  219.9821       4.700113  225.6673       6.829637  214.8669       6.478205  3.625473       3.173750  
1 1 1 -9  15 31 o 79.97187 0.9342180 63.99628       1.494073  63.15165       2.094965  64.87053       2.131383  -1.073532      1.868436  
1 1 1 -9  15 32 o 89.09143 1.015484  79.20045       1.804747  82.89701       2.670318  76.09213       2.448658  3.810753       2.030967  
1 1 1 -9  15 33 o 46.29433 0.6912799 21.44281       0.6398868 20.79288       0.9005609 22.10553       0.9093768 -1.417465      1.382560  
1 1 1 -9  15 34 f 100.5296 1.126166  101.2281       2.264239  101.0968       3.207832  101.3585       3.196435  -0.1307449     2.252332  
1 1 1 -9  15 35 o 56.59710 0.9158340 32.79866       1.001896  28.90123       1.583325  35.40141       1.293886  -5.755238      1.831668  
1 1 1 -9  15 36 o 39.05329 0.9391468 15.25787       0.7309376 13.56358       1.015269  17.08104       1.053177  -4.501534      1.878294  
1 1 1 -9  15 37 o 58.50654 1.089734  34.29866       1.274052  34.17931       1.838307  34.40898       1.767351  -0.2005730     2.179468  
1 1 1 -9  15 38 o 94.94209 1.082397  90.17461       2.052510  93.09054       2.998063  87.60230       2.815870  2.878059       2.164794  
1 1 1 -9  15 39 o 59.10950 0.7946407 34.88978       0.9375636 36.41378       1.379404  33.58119       1.278202  2.390408       1.589281  
1 1 1 -9  15 40 o 131.2836 1.432902  173.0364       3.761490  174.7565       5.386779  171.3996       5.254776  1.264893       2.865803  
1 1 1 -9  15 41 o 93.36275 1.071371  87.32127       1.998880  89.18961       2.897280  85.62418       2.761306  1.897522       2.142742  
1 1 1 -9  15 42 o 67.16786 0.8586857 45.00492       1.149971  47.59215       1.709696  42.86736       1.554034  3.505272       1.717371  
1 1 1 -9  15 43 o 69.43936 0.8759987 48.31603       1.216061  48.58138       1.747489  48.06686       1.693331  0.3656921      1.751997  
1 1 1 -9  15 44 o 16.33387 1.039790  2.641834       0.3374452 3.022362       0.5131074 2.351823       0.4479421 2.045429       2.079581  
1 1 1 -9  15 45 o 12.99287 1.286617  1.692736       0.3319277 1.733682       0.5030310 1.661158       0.4417500 0.2700529      2.573235  
1 1 1 -9  15 46 f 36.51603 0.7496721 13.36360       0.5454113 11.86311       0.7611732 14.94692       0.7819004 -4.220612      1.499344  
1 1 1 -9  15 47 o 35.44457 0.7478782 12.39482       0.5251963 14.03424       0.8136933 11.22411       0.6876057 3.951424       1.495756  
1 1 1 -9  15 48 o 35.76374 0.7812690 12.83806       0.5562906 11.31590       0.7792329 14.42012       0.7944140 -4.338253      1.562538  
1 1 1 -9  15 49 o 27.15593 0.8555521 7.221920       0.4589452 8.630521       0.7200853 6.258287       0.5955872 4.352186       1.711104  
1 1 1 -9  15 50 f 63.72895 0.8654388 40.30733       1.094043  44.14230       1.682372  37.49720       1.440137  5.179955       1.730878  
1 1 1 -9  15 51 o 23.46983 0.9725244 5.674817       0.4449313 4.542645       0.6592059 6.622154       0.6029997 -4.439568      1.945049  
1 1 1 -9  15 52 f 93.86452 1.112665  88.64282       2.088171  89.13427       2.993481  88.17699       2.914349  0.4942474      2.225330  
1 1 1 -9  15 53 o 50.05775 0.8213006 25.12992       0.8211589 23.37169       1.144714  26.99383       1.178616  -3.612583      1.642601  
1 1 1 -9  15 54 o 19.23649 1.305810  3.756644       0.4931221 3.847440       0.6434339 3.627406       0.7676556 0.6046925      2.611621  
1 1 1 -9  15 55 o 36.40466 1.139065  13.33090       0.8280234 13.87963       1.213372  12.85265       1.132781  1.390095       2.278130  
1 1 1 -9  15 56 o 18.90519 2.230920  3.631659       0.8435193 3.631659       0.8435193 ?              ?         ?              ?         
1 1 1 -9  15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  15 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  16 1  o 177.8617 1.878592  316.6248       6.682490  315.4051       9.418681  317.8611       9.482580  -0.6893768     3.757185  
1 1 1 -9  16 2  o 76.37396 0.8830330 58.00951       1.343242  54.90612       1.802968  61.88083       2.013720  -4.564491      1.766066  
1 1 1 -9  16 3  o 178.8070 1.886279  320.0018       6.745512  320.9034       9.568714  319.1111       9.510737  0.5002289      3.772559  
1 1 1 -9  16 4  o 430.4725 4.488604  1862.482       38.64434  1865.526       54.70936  1859.452       54.59355  0.7007751      8.977207  
1 1 1 -9  16 5  o 125.5276 1.660461  158.7202       3.961638  161.0901       4.911814  154.3087       6.701442  2.727356       3.320922  
1 1 1 -9  16 6  o 184.0356 2.755822  339.0571       10.13644  346.7139       14.66488  332.0524       14.02660  3.967560       5.511643  
1 1 1 -9  16 7  o 183.3955 2.744488  336.1497       10.04565  349.3853       14.78869  324.8103       13.68840  6.672745       5.488975  
1 1 1 -9  16 8  o 25.34335 1.022317  6.414625       0.5150248 7.431832       0.7464944 5.490612       0.7114770 3.829517       2.044633  
1 1 1 -9  16 9  o 19.77652 0.9464960 3.933912       0.3384252 3.860688       0.6295478 3.963673       0.4013487 -0.2622986     1.892992  
1 1 1 -9  16 10 o 64.70664 0.7993916 41.77416       1.032628  40.28117       1.409700  43.50285       1.516898  -2.488659      1.598783  
1 1 1 -9  16 11 o 92.74609 1.043364  86.02322       1.935078  87.19759       2.765592  84.89678       2.708527  1.239822       2.086728  
1 1 1 -9  16 12 o 203.2385 2.136379  413.0359       8.674279  402.8162       11.93587  424.4749       12.62792  -5.314087      4.272758  
1 1 1 -9  16 13 f 173.8045 1.838173  302.3533       6.389442  304.0813       9.081413  300.6593       8.991331  0.9827881      3.676347  
1 1 1 -9  16 14 o 90.42308 1.020125  81.46857       1.839303  77.91897       2.487376  85.75117       2.732157  -4.328293      2.040249  
1 1 1 -9  16 15 o 141.6609 1.515503  199.7094       4.274113  189.9820       5.725540  211.9528       6.423509  -7.743423      3.031007  
1 1 1 -9  16 16 o 225.1141 2.361966  506.3453       10.61018  489.5915       14.43785  526.0176       15.64486  -8.059341      4.723932  
1 1 1 -9  16 17 o 161.7916 1.717209  261.6996       5.551041  268.6658       8.069598  255.4422       7.648067  4.078430       3.434419  
1 1 1 -9  16 18 o 234.3950 2.455098  549.0081       11.48238  529.8270       15.61324  571.6024       16.94552  -8.872711      4.910196  
1 1 1 -9  16 19 o 34.87361 0.6441633 11.79652       0.4423216 14.53544       0.7031156 10.00267       0.5690238 6.497761       1.288327  
1 1 1 -9  16 20 o 91.75014 1.035602  83.95448       1.895891  80.61562       2.576818  87.89500       2.799380  -3.963791      2.071204  
1 1 1 -9  16 21 o 145.7107 1.558024  212.5198       4.540134  211.1268       6.377999  213.9507       6.464310  -0.9669952     3.116049  
1 1 1 -9  16 22 o 120.1932 1.306720  144.1819       3.134166  150.2142       4.621531  139.0451       4.264703  4.638840       2.613440  
1 1 1 -9  16 23 f 228.8063 2.401576  524.7181       10.98552  516.5212       15.27877  533.4909       15.80640  -3.686844      4.803152  
1 1 1 -9  16 24 o 161.0492 1.713103  259.7827       5.517877  259.7513       7.805958  259.8140       7.800957  -0.1963806E-01 3.426207  
1 1 1 -9  16 25 o 20.40762 0.7570896 4.200663       0.3058038 3.536722       0.4353868 4.847116       0.4296148 -3.210644      1.514179  
1 1 1 -9  16 26 o 54.64486 0.7301472 29.87060       0.7979330 29.44420       1.125580  30.30138       1.131338  -0.7842178     1.460294  
1 1 1 -9  16 27 o 159.1986 1.695757  253.6304       5.392725  260.9740       7.861003  247.1021       7.411741  4.336502       3.391514  
1 1 1 -9  16 28 o 44.59664 0.6763241 19.65676       0.5990114 21.96178       0.9157786 17.93310       0.7919160 4.514248       1.352648  
1 1 1 -9  16 29 o 156.1021 1.666558  243.9550       5.196559  251.1837       7.579298  237.5425       7.138576  4.344879       3.333115  
1 1 1 -9  16 30 o 39.84738 0.6640601 15.81867       0.5277673 16.76175       0.7825958 15.03200       0.7147597 2.168892       1.328120  
1 1 1 -9  16 31 o 25.57459 0.6999722 6.332450       0.3521485 8.057702       0.5576542 5.188168       0.4541563 5.607168       1.399944  
1 1 1 -9  16 32 o 94.30283 1.304674  89.65104       2.344689  87.35772       3.945659  90.90296       2.915251  -1.939117      2.609347  
1 1 1 -9  16 33 o 30.58496 0.9443260 9.355956       0.5738158 9.447330       0.8645712 9.284018       0.7671345 0.2626610      1.888652  
1 1 1 -9  16 34 o 60.57773 1.097609  36.71167       1.328925  35.13832       1.842216  38.41874       1.918896  -2.703327      2.195219  
1 1 1 -9  16 35 o 48.86747 0.7176739 23.76580       0.6990499 25.51601       1.042345  22.33513       0.9424043 3.250713       1.435348  
1 1 1 -9  16 36 o 79.28021 1.323447  62.93536       2.095278  64.69473       3.064287  61.39045       2.871446  2.069321       2.646894  
1 1 1 -9  16 37 f 27.68143 0.7250484 7.684477       0.3989114 7.534913       0.5952707 7.806392       0.5374427 -0.4930935     1.450097  
1 1 1 -9  16 38 o 104.9543 1.674035  110.2574       3.501466  116.6030       5.224253  105.0820       4.717999  5.429047       3.348070  
1 1 1 -9  16 39 o 88.62766 1.027893  78.66115       1.820640  80.25118       2.635683  77.21004       2.517902  1.706680       2.055786  
1 1 1 -9  16 40 o 72.62057 0.8938652 52.73607       1.296015  54.46446       1.900465  51.23353       1.771959  2.214981       1.787730  
1 1 1 -9  16 41 o 43.49934 0.7227323 18.85152       0.6258821 19.90545       0.9402066 18.01283       0.8387228 2.168800       1.445465  
1 1 1 -9  16 42 o 47.63480 0.7380699 22.69100       0.7019089 23.29361       1.028909  22.16645       0.9599708 1.177917       1.476140  
1 1 1 -9  16 43 o 69.13422 0.8751352 47.46169       1.201931  51.65226       1.832981  44.30070       1.591961  5.294388       1.750270  
1 1 1 -9  16 44 o 89.60710 1.047293  80.58363       1.876866  80.09642       2.655521  81.06993       2.653059  -0.5435104     2.094586  
1 1 1 -9  16 45 o 10.10543 1.638878  1.060444       0.3225070 1.179150       0.4897433 0.9695511      0.4285460 0.9866171      3.277756  
1 1 1 -9  16 46 o 19.71426 0.9631624 3.895594       0.3782805 3.951802       0.5620769 3.849057       0.5114400 0.2540207      1.926325  
1 1 1 -9  16 47 o 62.52699 0.8480186 38.77294       1.054267  35.14210       1.402172  43.49511       1.599073  -6.656204      1.696037  
1 1 1 -9  16 48 o 38.75462 0.7653427 15.05441       0.5905303 15.06864       0.8780116 15.04265       0.7979846 0.2457809E-01  1.530685  
1 1 1 -9  16 49 o 42.28584 0.7711846 17.94975       0.6513978 17.08240       0.9269884 18.79583       0.9155495 -2.027416      1.542369  
1 1 1 -9  16 50 o 23.35471 0.9216465 5.346447       0.4251060 6.389106       0.6677856 4.636008       0.5512252 3.734318       1.843293  
1 1 1 -9  16 51 o 83.38077 1.020510  69.80486       1.699622  71.43320       2.478189  68.35873       2.335417  1.817757       2.041020  
1 1 1 -9  16 52 o 14.43081 1.432870  2.029573       0.3879019 3.039202       0.6215439 1.385446       0.4964514 5.854247       2.865739  
1 1 1 -9  16 53 o 46.41663 0.8672500 21.62119       0.8031476 21.41076       1.095865  21.86539       1.180495  -0.4749298     1.734500  
1 1 1 -9  16 54 o 24.34663 1.132366  5.889903       0.5407656 5.563826       0.6916727 6.402601       0.8673061 -1.678167      2.264733  
1 1 1 -9  16 55 o 13.12337 2.179531  1.840139       0.5618118 1.880875       0.8251264 1.804933       0.7670884 0.2486191      4.359063  
1 1 1 -9  16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  17 1  o 134.2634 1.439684  179.4182       3.849220  190.2759       5.775244  170.7397       5.163260  7.266251       2.879367  
1 1 1 -9  17 2  o 123.7148 1.335583  153.0964       3.304009  154.8948       4.727974  151.3798       4.619078  1.419128       2.671167  
1 1 1 -9  17 3  o 130.1323 1.399301  169.1299       3.636486  174.8671       5.319747  164.0974       4.982353  4.133179       2.798603  
1 1 1 -9  17 4  o 152.7485 2.312547  233.4946       7.060110  228.8839       9.774051  238.5250       10.20916  -3.145645      4.625094  
1 1 1 -9  17 5  o 270.0245 2.820432  729.7711       15.21321  750.7277       22.17784  711.1460       20.90774  7.292816       5.640863  
1 1 1 -9  17 6  o 72.11661 0.8514792 51.55497       1.220408  48.12075       1.619413  56.06906       1.856643  -5.508667      1.702958  
1 1 1 -9  17 7  o 186.0614 1.961310  345.9775       7.287794  357.1501       10.65744  336.1642       9.988091  5.625961       3.922619  
1 1 1 -9  17 8  o 259.4622 2.712814  673.6584       14.05986  693.9907       20.50782  655.6259       19.31318  7.359253       5.425629  
1 1 1 -9  17 9  o 156.1091 2.046835  242.3195       5.954014  239.4216       7.191133  248.6367       10.61741  -2.878250      4.093670  
1 1 1 -9  17 10 o 75.79607 1.091844  58.63346       1.605609  63.07677       2.082846  52.12606       2.520622  7.228859       2.183688  
1 1 1 -9  17 11 o 148.1436 2.246787  219.6819       6.653727  215.9905       9.239309  223.6590       9.590070  -2.579575      4.493575  
1 1 1 -9  17 12 o 137.1494 2.092710  187.1797       5.711405  199.7004       8.612279  177.3502       7.630785  8.125244       4.185420  
1 1 1 -9  17 13 o 94.82312 1.518012  89.90268       2.876830  88.01173       3.979754  91.97213       4.163360  -2.085136      3.036023  
1 1 1 -9  17 14 o 203.3411 2.600282  419.1247       10.20697  395.6587       16.53469  433.5723       12.97404  -9.429962      5.200565  
1 1 1 -9  17 15 o 56.64879 0.8073841 32.29706       0.9089344 29.60471       1.324707  34.69219       1.249447  -4.491108      1.614768  
1 1 1 -9  17 16 o 191.5155 2.018421  367.0205       7.725710  359.5743       10.68756  375.1698       11.18073  -4.058685      4.036843  
1 1 1 -9  17 17 o 76.51337 0.8990498 58.35012       1.371882  61.25878       2.034633  55.92538       1.857686  3.483040       1.798100  
1 1 1 -9  17 18 o 90.73416 1.026872  81.77514       1.853309  77.07174       2.470200  87.83220       2.803222  -5.924477      2.053744  
1 1 1 -9  17 19 o 69.38873 0.8363281 47.91170       1.156218  50.95400       1.729029  45.45083       1.555053  3.963150       1.672656  
1 1 1 -9  17 20 o 37.85142 0.6454079 14.32893       0.4883971 14.37046       0.7011465 14.28978       0.6807026 0.1063576      1.290816  
1 1 1 -9  17 21 f 125.5340 1.359573  156.8751       3.398623  149.0749       4.557810  166.6438       5.100624  -6.984291      2.719146  
1 1 1 -9  17 22 o 121.1607 1.316946  146.9168       3.190742  145.3517       4.464985  148.5501       4.561339  -1.317322      2.633892  
1 1 1 -9  17 23 o 24.07546 0.6952816 5.703947       0.3320561 6.679111       0.5085650 4.979289       0.4384039 3.529104       1.390563  
1 1 1 -9  17 24 o 117.8575 1.285453  139.0555       3.029901  139.6809       4.306284  138.4423       4.263885  0.5241623      2.570905  
1 1 1 -9  17 25 o 123.7921 1.344294  153.2007       3.323610  158.0854       4.856619  148.8978       4.558154  3.700020       2.688587  
1 1 1 -9  17 26 o 131.1929 1.417511  171.7307       3.707103  180.5083       5.517690  164.5085       5.004998  6.075546       2.835021  
1 1 1 -9  17 27 f 37.57918 0.6613804 14.10755       0.4962021 14.45057       0.7271206 13.80858       0.6788365 0.8531151      1.322761  
1 1 1 -9  17 28 o 182.5480 1.935691  334.4385       7.066601  336.5398       10.06712  332.3976       9.921835  1.124786       3.871383  
1 1 1 -9  17 29 o 58.61015 0.9988193 34.05448       1.138938  35.80836       1.858957  33.00049       1.441084  2.378883       1.997639  
1 1 1 -9  17 30 o 35.19268 0.9153579 12.37356       0.6423884 11.10022       0.8885391 13.76796       0.9298147 -3.788525      1.830716  
1 1 1 -9  17 31 f 91.58215 1.469397  84.10109       2.690969  84.54181       3.844818  83.67790       3.767568  0.4664154      2.938794  
1 1 1 -9  17 32 o 84.55074 0.9872848 71.58336       1.669444  71.35358       2.348770  71.81796       2.373324  -0.2734146     1.974570  
1 1 1 -9  17 33 o 84.52243 0.9823707 71.33334       1.657403  68.33701       2.259380  74.82425       2.438725  -3.828247      1.964741  
1 1 1 -9  17 34 o 36.36284 0.6722760 13.08173       0.4854534 14.49318       0.7425340 12.02808       0.6415526 3.385838       1.344552  
1 1 1 -9  17 35 o 66.70744 0.9623203 44.53983       1.282445  45.16619       1.863641  43.97645       1.767479  0.8861618      1.924641  
1 1 1 -9  17 36 o 70.63954 0.8723025 49.95735       1.232179  48.91353       1.724803  51.04530       1.760885  -1.506729      1.744605  
1 1 1 -9  17 37 o 48.51264 1.043541  23.43332       1.008907  25.45579       1.506079  21.78689       1.358869  3.770596       2.087081  
1 1 1 -9  17 38 f 39.43262 0.7104972 15.59981       0.5591416 14.75952       0.8017926 16.39533       0.7801430 -2.075394      1.420994  
1 1 1 -9  17 39 o 56.63717 0.7783425 32.10246       0.8807758 32.59100       1.278540  31.66120       1.215091  0.8166389      1.556685  
1 1 1 -9  17 40 o 62.54301 0.8194780 39.09127       1.022762  40.53895       1.507419  37.85636       1.392244  2.135715       1.638956  
1 1 1 -9  17 41 o 11.76531 1.420719  1.464405       0.3123015 1.232066       0.4979348 1.615066       0.4009707 -1.839924      2.841438  
1 1 1 -9  17 42 o 54.76988 0.7758974 29.72732       0.8436134 32.68248       1.292410  27.53345       1.113566  4.685570       1.551795  
1 1 1 -9  17 43 f 61.30525 0.8244594 37.66957       1.010674  37.59822       1.443010  37.73827       1.415990  -0.1168365     1.648919  
1 1 1 -9  17 44 f 54.30122 0.7854943 29.54572       0.8524101 29.70168       1.231333  29.40221       1.181208  0.2707367      1.570989  
1 1 1 -9  17 45 o 45.03776 0.7515639 20.33442       0.6764562 20.14673       0.9734038 20.50972       0.9407394 -0.4062958     1.503128  
1 1 1 -9  17 46 o 16.03516 1.124771  2.546124       0.3579188 2.914630       0.5490056 2.273721       0.4720199 1.986247       2.249543  
1 1 1 -9  17 47 o 25.44941 0.8384193 6.448693       0.4238124 6.880616       0.6456947 6.121769       0.5617560 1.480570       1.676839  
1 1 1 -9  17 48 f 28.07458 0.8257818 7.904852       0.4597475 7.917433       0.6971821 7.895172       0.6115614 0.2828789E-01  1.651564  
1 1 1 -9  17 49 o 44.24602 0.7918755 19.64627       0.6985489 17.66032       0.9773489 21.72033       0.9987948 -4.585007      1.583751  
1 1 1 -9  17 50 o 39.40567 0.7920229 15.59460       0.6223485 15.33443       0.9118317 15.82148       0.8515271 -0.6264801     1.584046  
1 1 1 -9  17 51 o 30.33065 0.8496903 9.260476       0.5134248 8.906338       0.7514384 9.570563       0.7031494 -1.102833      1.699381  
1 1 1 -9  17 52 o 12.88161 1.525230  1.673975       0.3815273 1.998234       0.5863305 1.435856       0.5024514 2.334946       3.050459  
1 1 1 -9  17 53 o 27.05925 0.9866135 7.350702       0.5333455 7.767591       0.7758644 6.977210       0.7343736 1.451313       1.973227  
1 1 1 -9  17 54 o 13.63726 4.177920  1.983792       1.246779  1.983792       1.246779  ?              ?         ?              ?         
1 1 1 -9  17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  17 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  18 1  o 221.0455 3.291689  490.1554       14.54634  482.8744       20.23029  497.9496       20.93087  -3.382675      6.583377  
1 1 1 -9  18 2  o 85.29456 1.062367  70.35367       1.730269  65.17442       2.116047  80.80354       3.005711  -9.150780      2.124735  
1 1 1 -9  18 3  o 104.7781 1.154288  109.7534       2.417650  112.2262       3.487456  107.4654       3.354561  2.270058       2.308576  
1 1 1 -9  18 4  o 43.46848 0.6498863 18.61116       0.5606132 21.47581       0.8588526 16.48444       0.7400090 5.740475       1.299773  
1 1 1 -9  18 5  o 86.69977 0.9836869 74.92025       1.701220  78.81749       2.519201  71.65303       2.306608  4.129318       1.967374  
1 1 1 -9  18 6  o 198.5838 2.089783  393.9137       8.281605  380.6105       11.27288  409.5123       12.20669  -7.254013      4.179566  
1 1 1 -9  18 7  f 188.4965 1.986828  355.4081       7.483484  347.5101       10.32499  364.1488       10.86190  -4.400833      3.973656  
1 1 1 -9  18 8  o 116.8980 1.273355  136.6713       2.976089  138.8077       4.274841  134.6620       4.145776  1.771233       2.546710  
1 1 1 -9  18 9  o 165.0728 1.750905  272.7733       5.780407  271.7061       8.142105  273.8579       8.207751  -0.6503754     3.501810  
1 1 1 -9  18 10 o 175.4514 1.855523  308.1700       6.510333  305.6682       9.124563  310.7644       9.291713  -1.448410      3.711046  
1 1 1 -9  18 11 f 82.35671 0.9510878 67.84387       1.566504  67.27787       2.203141  68.42262       2.227807  -0.6946869     1.902176  
1 1 1 -9  18 12 o 248.2199 2.599182  617.7386       12.90320  615.8984       18.19071  619.6019       18.30559  -0.7418976     5.198365  
1 1 1 -9  18 13 f 215.0765 2.261051  463.0067       9.716447  475.1920       14.12068  452.0489       13.39063  5.356262       4.522101  
1 1 1 -9  18 14 o 156.5405 1.667275  245.3417       5.219902  245.7245       7.393591  244.9613       7.370574  0.2431946      3.334549  
1 1 1 -9  18 15 f 170.6756 2.239058  288.0772       7.052757  282.1006       8.433105  301.9847       12.86425  -5.670700      4.478116  
1 1 1 -9  18 16 o 51.77924 1.046442  26.17007       1.069456  31.17259       1.686081  22.80273       1.383335  8.077099       2.092884  
1 1 1 -9  18 17 o 108.5692 1.705556  117.8754       3.699185  114.8470       5.087641  121.2722       5.388161  -2.950287      3.411112  
1 1 1 -9  18 18 o 186.0849 2.792084  347.6591       10.39059  350.1003       14.79872  345.2856       14.59247  1.283066       5.584168  
1 1 1 -9  18 19 o 149.5785 2.272075  224.4055       6.797034  224.9362       9.631627  223.8790       9.593403  0.3515778      4.544151  
1 1 1 -9  18 20 o 73.60780 1.080845  54.11985       1.489869  54.50801       2.620066  53.93438       1.811197  0.3705750      2.161691  
1 1 1 -9  18 21 o 102.7268 1.236345  105.7192       2.513662  105.0491       3.835736  106.2236       3.327832  -0.5864105     2.472689  
1 1 1 -9  18 22 f 64.14120 0.7982271 41.11642       1.023046  42.12782       1.485306  40.20349       1.411151  1.498550       1.596454  
1 1 1 -9  18 23 o 23.57193 0.6985013 5.475119       0.3265861 6.538659       0.4954601 4.657992       0.4342871 3.987984       1.397003  
1 1 1 -9  18 24 o 90.90205 1.033016  81.75254       1.861301  89.70214       2.873212  76.00397       2.443294  7.520470       2.066032  
1 1 1 -9  18 25 f 22.41485 0.7754842 4.604377       0.3326928 6.927167       0.5742756 3.430996       0.4081639 7.794466       1.550968  
1 1 1 -9  18 26 o 46.05104 0.9395508 21.07953       0.8623327 19.12393       1.166406  23.43689       1.280626  -4.679024      1.879102  
1 1 1 -9  18 27 o 119.7639 1.844250  143.5770       4.406741  149.6224       6.509387  138.4622       5.987424  4.620621       3.688501  
1 1 1 -9  18 28 o 50.16424 0.9857383 25.07797       0.9850188 26.45148       1.473941  23.96949       1.324125  2.467319       1.971477  
1 1 1 -9  18 29 o 80.74776 0.9460996 65.07128       1.524323  68.18320       2.251070  62.43595       2.071538  3.550957       1.892199  
1 1 1 -9  18 30 o 37.23001 0.6606395 13.87666       0.4916431 13.50113       0.7001302 14.24199       0.6905457 -0.9952888     1.321279  
1 1 1 -9  18 31 o 44.59200 0.6915843 19.88756       0.6161992 20.14028       0.8934479 19.65828       0.8509771 0.5389175      1.383169  
1 1 1 -9  18 32 o 71.70775 0.8732093 51.41648       1.251414  49.82349       1.730021  53.16476       1.812384  -2.325859      1.746419  
1 1 1 -9  18 33 o 33.00897 0.9307126 10.92700       0.6125277 9.880656       0.8621848 11.99328       0.8703629 -3.199635      1.861425  
1 1 1 -9  18 34 o 71.67329 0.8760214 51.06200       1.248607  54.91918       1.891529  48.08339       1.662207  4.755417       1.752043  
1 1 1 -9  18 35 o 52.54698 0.7481631 27.59478       0.7848217 28.38961       1.151589  26.90545       1.072444  1.408066       1.496326  
1 1 1 -9  18 36 o 42.85015 1.022131  18.07734       0.8681785 15.55911       1.145127  21.48145       1.331399  -6.896549      2.044262  
1 1 1 -9  18 37 o 112.9132 1.255687  127.8843       2.833992  130.0772       4.091769  125.8624       3.928930  1.849609       2.511373  
1 1 1 -9  18 38 f 6.977168 1.679232  0.3905556      0.2861590 0.6942122      0.4516937 0.1869737      0.3698470 2.599428       3.358463  
1 1 1 -9  18 39 o 34.58682 0.7286698 11.98621       0.5016800 10.50436       0.6998139 13.55289       0.7195637 -4.405655      1.457340  
1 1 1 -9  18 40 o 35.19460 0.7274178 12.39750       0.5105656 11.15981       0.7106256 13.71809       0.7340411 -3.632706      1.454836  
1 1 1 -9  18 41 o 63.42797 0.8352408 40.17449       1.056322  42.09660       1.568903  38.58066       1.428656  2.758560       1.670482  
1 1 1 -9  18 42 o 36.93581 0.7308098 13.50216       0.5352492 14.90883       0.8250542 12.47990       0.7033437 3.277348       1.461620  
1 1 1 -9  18 43 o 52.80876 0.7808828 27.65940       0.8187262 30.31089       1.253285  25.68549       1.081355  4.361927       1.561766  
1 1 1 -9  18 44 o 40.06166 0.7422562 16.10570       0.5936966 15.61544       0.8569947 16.55811       0.8232492 -1.179928      1.484512  
1 1 1 -9  18 45 o 37.25393 0.7491542 13.94796       0.5566370 13.14533       0.8013606 14.69626       0.7737712 -2.084522      1.498308  
1 1 1 -9  18 46 f 28.99945 0.8496290 8.596066       0.4818114 6.666400       0.6921776 10.40989       0.6710806 -6.457008      1.699258  
1 1 1 -9  18 47 o 11.49525 1.593042  1.273190       0.3550486 2.106919       0.5731130 0.7539214      0.4522972 5.908282       3.186084  
1 1 1 -9  18 48 o 71.79646 0.9309245 51.62522       1.334852  48.84272       1.830948  54.78207       1.950225  -4.116692      1.861849  
1 1 1 -9  18 49 o 32.07457 0.8198532 10.23005       0.5210962 10.98193       0.8034204 9.684068       0.6846332 2.005804       1.639706  
1 1 1 -9  18 50 o 37.99449 0.8038123 14.54101       0.6073680 12.77282       0.8591135 16.30785       0.8587829 -4.652084      1.607625  
1 1 1 -9  18 51 o 5.443559 1.708612  -0.1756973     0.3599242 -0.9789518E-01 0.5854303 -0.2229753     0.4563622 1.069975       3.417224  
1 1 1 -9  18 52 f 25.51601 1.413149  6.601418       0.7087733 6.545056       1.106766  6.640602       0.9228323 -0.2450085     2.826298  
1 1 1 -9  18 53 o 16.32297 2.244797  2.707285       0.7328349 2.707285       0.7328349 ?              ?         ?              ?         
1 1 1 -9  18 54 o 31.53420 3.013942  0.000000       0.000000  ?              ?         10.25900       1.900845  ?              ?         
1 1 1 -9  18 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  19 1  o 189.3681 1.996574  359.1906       7.561043  362.0110       10.78155  356.4611       10.60646  1.459961       3.993148  
1 1 1 -9  19 2  o 98.88239 1.099828  97.82748       2.175057  98.18978       3.082958  97.46844       3.069079  0.3645096      2.199656  
1 1 1 -9  19 3  o 115.9058 1.264618  133.5351       2.916240  126.1845       3.891886  142.9465       4.403759  -7.220978      2.529236  
1 1 1 -9  19 4  o 80.76343 0.9323695 65.19688       1.505155  66.80897       2.174157  63.71313       2.085812  1.915344       1.864739  
1 1 1 -9  19 5  o 118.9196 1.292936  140.5020       3.057300  132.6619       4.068903  150.6676       4.633201  -7.559326      2.585872  
1 1 1 -9  19 6  o 31.24721 0.6398317 9.769181       0.3997128 9.996021       0.5625731 9.537925       0.5680248 0.7330742      1.279663  
1 1 1 -9  19 7  o 58.93542 0.7559533 34.49157       0.8868281 32.29379       1.185806  37.28092       1.335894  -4.229244      1.511907  
1 1 1 -9  19 8  o 64.20067 0.7973084 40.84697       1.017717  44.71974       1.545223  37.88001       1.352494  5.324421       1.594617  
1 1 1 -9  19 9  o 111.7471 1.225520  124.9441       2.738734  126.0352       3.904139  123.8869       3.842895  0.9600449      2.451040  
1 1 1 -9  19 10 o 64.10313 0.7998940 40.61863       1.017546  37.41830       1.340936  44.96317       1.562365  -5.882072      1.599788  
1 1 1 -9  19 11 o 274.8906 2.875582  758.5549       15.80933  757.2625       22.31444  759.8573       22.40136  -0.4678650     5.751165  
1 1 1 -9  19 12 o 71.12391 0.8571449 50.04278       1.210084  55.10818       1.855193  46.29182       1.596443  6.194122       1.714290  
1 1 1 -9  19 13 o 43.14907 0.6743339 18.44060       0.5790361 16.69942       0.7742221 20.65078       0.8722813 -4.577557      1.348668  
1 1 1 -9  19 14 o 77.81469 0.9180772 60.35916       1.425150  63.55625       2.109102  57.67287       1.933288  3.777298       1.836154  
1 1 1 -9  19 15 o 175.2710 1.858390  307.3998       6.506909  299.6763       8.948483  316.0657       9.478708  -4.655167      3.716781  
1 1 1 -9  19 16 f 206.5545 2.179641  427.8901       9.003903  426.8777       12.66822  428.9236       12.79968  -0.4889679     4.359282  
1 1 1 -9  19 17 o 147.6327 1.579843  218.2136       4.663116  214.9673       6.492778  221.6719       6.701455  -2.263168      3.159686  
1 1 1 -9  19 18 f 204.0851 2.151618  417.7438       8.780730  413.5696       12.28146  422.1086       12.55884  -2.077591      4.303235  
1 1 1 -9  19 19 o 64.79790 0.8102920 41.68200       1.045019  38.83833       1.396373  45.30231       1.575559  -4.983994      1.620584  
1 1 1 -9  19 20 o 77.27281 0.9077668 59.64792       1.401046  61.66070       2.046117  57.87115       1.922420  2.448830       1.815534  
1 1 1 -9  19 21 o 125.5134 1.692302  155.3592       3.902697  151.5661       4.646578  164.4435       7.190869  -4.996872      3.384604  
1 1 1 -9  19 22 o 66.03180 1.170801  43.63484       1.545280  43.02415       2.142674  44.29674       2.230694  -0.9601974     2.341602  
1 1 1 -9  19 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  19 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  19 25 f 99.01164 2.241334  98.32698       4.438364  98.32698       4.438364  ?              ?         ?              ?         
1 1 1 -9  19 26 o 64.64565 1.167101  41.85580       1.508666  41.53110       2.109573  42.19572       2.158417  -0.5115051     2.334202  
1 1 1 -9  19 27 o 109.9209 1.728399  121.2713       3.798995  119.9469       5.309813  122.6602       5.437648  -1.223938      3.456799  
1 1 1 -9  19 28 o 91.08672 1.272278  83.70149       2.198904  81.40444       3.732590  84.92240       2.721236  -1.993431      2.544556  
1 1 1 -9  19 29 o 73.92262 0.8915497 54.70724       1.318065  54.05189       1.857368  55.37207       1.870754  -0.8923187     1.783099  
1 1 1 -9  19 30 o 42.59464 0.6881651 18.09602       0.5850004 16.56381       0.8037822 19.82179       0.8530448 -3.822559      1.376330  
1 1 1 -9  19 31 o 7.877234 1.464710  0.6620998      0.2609579 0.1809587      0.3999315 1.018840       0.3443702 -4.097572      2.929420  
1 1 1 -9  19 32 o 82.38577 0.9717135 67.94624       1.600455  66.46215       2.224847  69.53780       2.303999  -1.861641      1.943427  
1 1 1 -9  19 33 o 39.65395 0.6885647 15.60623       0.5430554 16.98341       0.8225882 14.54231       0.7230053 3.073177       1.377129  
1 1 1 -9  19 34 o 29.29208 0.7116203 8.561497       0.4156106 8.923233       0.6170825 8.261179       0.5622597 1.127312       1.423241  
1 1 1 -9  19 35 f 70.90857 1.251068  50.10958       1.766126  54.04390       2.657151  46.99586       2.363856  4.940483       2.502136  
1 1 1 -9  19 36 f 78.56062 0.9442888 61.81752       1.482824  62.77836       2.139924  60.93002       2.056617  1.169655       1.888578  
1 1 1 -9  19 37 o 19.12573 0.9353474 3.778541       0.3459647 3.110822       0.5321993 4.267218       0.4552900 -3.029728      1.870695  
1 1 1 -9  19 38 o 15.17623 1.071207  2.298018       0.3191290 2.377045       0.5057807 2.245746       0.4113480 0.4221487      2.142414  
1 1 1 -9  19 39 o 16.40413 1.024526  2.640293       0.3319855 3.094757       0.5218347 2.331289       0.4302931 2.317018       2.049052  
1 1 1 -9  19 40 o 49.57430 0.7571400 24.63577       0.7501917 24.15119       1.074051  25.09739       1.048281  -0.9565697     1.514280  
1 1 1 -9  19 41 o 89.09025 1.045937  79.62400       1.863004  77.70216       2.593287  81.67366       2.678131  -2.217911      2.091874  
1 1 1 -9  19 42 o 34.76475 0.7562743 12.12393       0.5239181 11.96500       0.7719281 12.25968       0.7133932 -0.4297066     1.512549  
1 1 1 -9  19 43 o 53.37525 0.7912635 28.56413       0.8444486 27.82677       1.195142  29.29924       1.193321  -1.379551      1.582527  
1 1 1 -9  19 44 o 49.43546 0.7807217 24.42635       0.7695742 25.40337       1.141776  23.61298       1.041770  1.799484       1.561443  
1 1 1 -9  19 45 o 12.20768 1.595570  1.736754       0.3558879 0.8944327      0.5665828 2.285660       0.4573761 -5.747786      3.191140  
1 1 1 -9  19 46 f 13.18030 1.579567  2.050623       0.3686523 0.9844408      0.5780443 2.781585       0.4786219 -6.913420      3.159133  
1 1 1 -9  19 47 o 11.67913 1.641026  1.421247       0.3643728 1.475928       0.5728432 1.384089       0.4722148 0.3172894      3.282051  
1 1 1 -9  19 48 o 40.33994 0.7897186 16.23484       0.6336250 17.14660       0.9571202 15.52351       0.8454046 1.995853       1.579437  
1 1 1 -9  19 49 o 27.50843 1.152686  7.535943       0.5654823 7.815859       1.089407  7.432707       0.6615919 0.6021538      2.305371  
1 1 1 -9  19 50 f 30.22215 1.242248  9.014890       0.7373081 10.25731       1.185138  8.230374       0.9417472 3.291374       2.484496  
1 1 1 -9  19 51 o 24.52051 0.9867675 5.912327       0.4781625 7.023658       0.7490641 5.148038       0.6211926 3.796476       1.973535  
1 1 1 -9  19 52 o 24.68865 1.210155  5.918865       0.5824516 5.172936       0.7307271 7.218507       0.9645359 -4.078215      2.420310  
1 1 1 -9  19 53 o 38.65433 1.473179  15.11651       1.060297  15.31492       1.884430  15.02460       1.282587  0.1590500      2.946358  
1 1 1 -9  19 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  20 1  o 148.7850 1.589724  221.6033       4.729131  225.0345       6.788913  218.3687       6.591459  2.233734       3.179449  
1 1 1 -9  20 2  f 145.4942 1.557528  211.5093       4.523910  219.3006       6.643349  204.7722       6.177563  4.978348       3.115056  
1 1 1 -9  20 3  o 81.28001 0.9386042 66.09631       1.525771  66.01115       2.151060  66.18252       2.164534  -0.1051712     1.877208  
1 1 1 -9  20 4  o 58.21806 0.7471635 33.55294       0.8640692 31.04770       1.143597  36.88589       1.319056  -5.011497      1.494327  
1 1 1 -9  20 5  o 73.17258 0.8694615 53.56425       1.272407  53.80322       1.802847  53.32707       1.796083  0.3252411      1.738923  
1 1 1 -9  20 6  o 67.66376 0.8246294 45.46257       1.110153  42.66851       1.481065  49.04540       1.677143  -4.708954      1.649259  
1 1 1 -9  20 7  o 137.4453 1.477752  188.7287       4.054906  195.8669       5.952915  182.5499       5.538493  4.832001       2.955503  
1 1 1 -9  20 8  o 79.93813 0.9319679 63.64470       1.485480  67.55807       2.208120  60.40940       2.007723  4.467491       1.863936  
1 1 1 -9  20 9  o 47.69548 0.6908243 22.27908       0.6515545 26.14880       1.018382  19.59732       0.8477752 6.865505       1.381649  
1 1 1 -9  20 10 f 149.3878 1.597194  223.4743       4.771218  225.8829       6.823181  221.1698       6.674325  1.572250       3.194387  
1 1 1 -9  20 11 o 78.18768 0.9195741 60.34481       1.424026  55.64179       1.863142  66.95191       2.208327  -7.225525      1.839148  
1 1 1 -9  20 12 o 144.5335 1.550073  209.2243       4.480699  209.9253       6.355479  208.5314       6.318017  0.4808655      3.100146  
1 1 1 -9  20 13 o 175.2180 1.857756  307.6150       6.508147  303.4239       9.067152  312.0689       9.347048  -2.454483      3.715513  
1 1 1 -9  20 14 o 119.1184 1.299437  141.9769       3.094298  144.7294       4.458813  139.4199       4.297635  2.223389       2.598874  
1 1 1 -9  20 15 o 32.75001 0.6688320 10.65215       0.4360857 12.18708       0.6456130 9.364245       0.5913855 4.308708       1.337664  
1 1 1 -9  20 16 o 157.0992 1.676791  247.2286       5.266061  251.6266       7.585632  243.1373       7.316337  2.688980       3.353582  
1 1 1 -9  20 17 o 139.0200 1.496138  193.5186       4.157695  197.2438       5.997162  190.0711       5.769197  2.569275       2.992275  
1 1 1 -9  20 18 f 109.5864 1.210608  119.3141       2.637513  112.1891       3.506443  128.5982       4.002626  -7.467300      2.421215  
1 1 1 -9  20 19 o 184.1418 2.404449  338.5193       8.266617  347.7075       14.68302  334.2552       10.00252  3.280502       4.808898  
1 1 1 -9  20 20 o 42.69404 0.9115952 18.06166       0.7743430 15.94028       1.040046  20.70016       1.159905  -5.570641      1.823190  
1 1 1 -9  20 21 o 12.19174 1.367609  1.468824       0.3294223 1.617145       0.5159791 1.366769       0.4280042 1.022340       2.735218  
1 1 1 -9  20 22 o 126.3071 1.700317  155.3161       3.895844  149.1717       4.580677  171.3812       7.406789  -8.594872      3.400634  
1 1 1 -9  20 23 o 18.31203 0.7959611 3.324006       0.2897066 3.892239       0.4319521 2.859413       0.3905789 2.818617       1.591922  
1 1 1 -9  20 24 o 60.11598 0.7756234 35.97659       0.9297877 33.72045       1.257247  38.70006       1.381332  -4.137276      1.551247  
1 1 1 -9  20 25 f 80.04564 0.9383243 64.03075       1.500351  61.85526       2.060729  66.48476       2.188680  -2.886063      1.876649  
1 1 1 -9  20 26 o 34.98363 0.6640177 12.25345       0.4639703 12.09714       0.6714350 12.39630       0.6418694 -0.4285622     1.328035  
1 1 1 -9  20 27 o 131.2664 1.425779  172.1632       3.731592  164.7905       5.044337  181.0745       5.545766  -6.164581      2.851557  
1 1 1 -9  20 28 o 63.71900 0.8104050 40.42629       1.028755  43.02056       1.539319  38.33226       1.382967  3.671913       1.620810  
1 1 1 -9  20 29 o 54.19956 0.9319671 28.88125       0.9358178 28.03512       1.120284  30.83496       1.702308  -2.551640      1.863934  
1 1 1 -9  20 30 o 39.04846 1.414287  15.27590       1.104514  15.27590       1.104514  ?              ?         ?              ?         
1 1 1 -9  20 31 o 77.99662 1.332097  61.04423       2.077818  60.67469       2.916900  61.42492       2.960541  -0.4768524     2.664195  
1 1 1 -9  20 32 o 79.78462 1.355169  63.88871       2.162402  64.12371       3.067988  63.65671       3.048303  0.2907791      2.710337  
1 1 1 -9  20 33 o 73.56604 1.276622  54.24729       1.876774  52.69109       2.590724  55.96582       2.722494  -2.212456      2.553243  
1 1 1 -9  20 34 f 11.76845 1.803731  1.533282       0.4288973 0.7299713      0.6477168 2.160537       0.5723548 -5.794071      3.607462  
1 1 1 -9  20 35 o 88.88078 1.468736  79.35385       2.608815  77.42271       3.604244  81.47897       3.780937  -2.258179      2.937472  
1 1 1 -9  20 36 o 67.35071 1.223166  45.24414       1.640547  42.33848       2.199002  48.89130       2.463656  -4.831879      2.446333  
1 1 1 -9  20 37 o 100.1042 1.618084  100.9828       3.239381  100.2932       4.553677  101.6893       4.609182  -0.6878891     3.236168  
1 1 1 -9  20 38 o 30.90706 0.9316814 10.03981       0.5305782 8.312622       0.9088624 10.93275       0.6534939 -4.264236      1.863363  
1 1 1 -9  20 39 o 65.97646 1.050899  43.45522       1.290258  44.33887       2.302718  43.05082       1.557762  0.8836670      2.101798  
1 1 1 -9  20 40 o 18.35904 1.260494  3.855405       0.4012556 2.265261       0.6721380 4.735924       0.5001608 -6.753798      2.520988  
1 1 1 -9  20 41 o 24.28883 0.9014977 6.085234       0.4256578 4.828454       0.6339707 7.116833       0.5743743 -4.717867      1.802995  
1 1 1 -9  20 42 o 6.899305 1.803305  0.3798460      0.3297895 0.2579571      0.5171741 0.4633754      0.4281287 -0.4434342     3.606609  
1 1 1 -9  20 43 o 67.78256 0.8877106 46.08315       1.203176  44.78032       1.688231  47.42793       1.715184  -1.949501      1.775421  
1 1 1 -9  20 44 o 12.55234 1.536893  1.746427       0.3542783 1.135367       0.5495076 2.181101       0.4634608 -4.351763      3.073786  
1 1 1 -9  20 45 o 31.48014 0.8108057 9.956636       0.5082183 9.778296       0.7513843 10.10703       0.6899922 -0.5307598     1.621611  
1 1 1 -9  20 46 o 66.80338 0.8945490 44.80844       1.194638  44.69284       1.714218  44.91760       1.665771  -0.1758804     1.789098  
1 1 1 -9  20 47 o 24.81344 1.335564  5.963516       0.6419803 7.225437       1.083289  5.280428       0.7970148 3.848703       2.671129  
1 1 1 -9  20 48 f 48.15951 1.055516  23.37529       1.014560  25.00573       1.431108  21.72789       1.438531  3.404659       2.111033  
1 1 1 -9  20 49 o 25.17841 0.9692205 6.396669       0.4848434 6.169187       0.7211295 6.584329       0.6549782 -0.8379173     1.938441  
1 1 1 -9  20 50 o 24.46404 0.9839178 5.978049       0.4773505 6.340624       0.7321693 5.709991       0.6295448 1.266596       1.967836  
1 1 1 -9  20 51 o 18.39735 1.484379  3.601494       0.5189664 4.298370       0.6847680 2.661088       0.7954683 4.485992       2.968757  
1 1 1 -9  20 52 o 17.09614 2.014898  3.406198       0.6224050 1.293599       0.8976879 5.361949       0.8637216 -11.83230      4.029795  
1 1 1 -9  20 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  21 1  o 252.1884 2.647849  638.1550       13.33348  619.4890       18.24604  659.5457       19.53240  -7.850861      5.295697  
1 1 1 -9  21 2  f 131.9610 1.423985  174.3998       3.758200  174.5831       5.322419  174.2176       5.307409  0.1379089      2.847970  
1 1 1 -9  21 3  o 62.40817 0.7831047 38.40755       0.9681791 35.13749       1.267309  42.99145       1.500452  -6.287632      1.566209  
1 1 1 -9  21 4  o 167.7602 1.781968  282.0699       5.978415  284.0290       8.517713  280.1676       8.393174  1.145050       3.563936  
1 1 1 -9  21 5  o 104.8827 1.161114  109.9398       2.432763  113.5633       3.545921  106.7175       3.343857  3.257408       2.322228  
1 1 1 -9  21 6  o 90.37954 1.024545  81.64824       1.850326  84.05294       2.686118  79.47681       2.552505  2.528000       2.049089  
1 1 1 -9  21 7  o 92.76128 1.047158  86.06174       1.941670  84.49023       2.693407  87.76212       2.801663  -1.760559      2.094315  
1 1 1 -9  21 8  o 131.7919 1.423985  173.5228       3.745834  180.6435       5.512168  167.4130       5.105942  5.003540       2.847970  
1 1 1 -9  21 9  o 103.4963 1.148393  106.9992       2.373228  111.0773       3.478137  103.4465       3.246340  3.678940       2.296786  
1 1 1 -9  21 10 o 45.50823 0.6782318 20.37811       0.6117857 18.19770       0.8026267 23.40146       0.9451243 -5.714546      1.356464  
1 1 1 -9  21 11 f 63.47532 0.7970650 40.30357       1.011748  40.91447       1.445091  39.71620       1.416977  0.9432068      1.594130  
1 1 1 -9  21 12 o 119.3198 1.302280  141.9269       3.096394  150.0146       4.623230  135.3481       4.169725  6.127274       2.604560  
1 1 1 -9  21 13 o 113.6938 1.248034  129.4454       2.837825  129.0442       3.999008  129.8524       4.027726  -0.3542709     2.496068  
1 1 1 -9  21 14 o 108.3101 1.197844  117.4533       2.594515  118.5499       3.700822  116.3934       3.638372  0.9930725      2.395688  
1 1 1 -9  21 15 o 49.92980 0.8532291 24.60163       0.8022288 25.96408       1.411068  23.95094       0.9751582 2.003490       1.706458  
1 1 1 -9  21 16 o 64.20860 1.116104  41.10905       1.429184  43.44983       2.120847  39.16186       1.934347  3.331852       2.232209  
1 1 1 -9  21 17 o 62.42009 1.095077  37.68221       1.338067  32.89532       1.692976  45.64933       2.184109  -10.19640      2.190154  
1 1 1 -9  21 18 o 40.08224 0.8266970 15.72004       0.6497440 14.39369       0.8272092 17.85635       1.049827  -4.312054      1.653394  
1 1 1 -9  21 19 o 53.77572 0.7321962 28.73899       0.7844188 26.73640       1.054011  31.22517       1.174400  -4.169785      1.464392  
1 1 1 -9  21 20 o 25.82239 0.6836941 6.636222       0.3520786 7.164248       0.5225089 6.197101       0.4764949 1.871281       1.367388  
1 1 1 -9  21 21 f 91.35905 1.041593  82.81255       1.890206  77.39909       2.502514  90.00356       2.884255  -6.880066      2.083187  
1 1 1 -9  21 22 o 62.20042 0.7915180 38.67935       0.9840925 37.42877       1.364156  40.03635       1.421019  -2.093967      1.583036  
1 1 1 -9  21 23 o 46.24314 0.6965457 21.30640       0.6428078 19.74186       0.8769802 23.12288       0.9449562 -3.653320      1.393091  
1 1 1 -9  21 24 o 53.23629 0.7358223 28.23690       0.7816256 26.43850       1.062634  30.35693       1.153751  -3.676701      1.471645  
1 1 1 -9  21 25 f 18.11690 0.8356467 3.345103       0.2968934 2.670699       0.4291318 3.964277       0.4111843 -3.570887      1.671293  
1 1 1 -9  21 26 o 32.01385 0.6769964 10.23289       0.4321588 10.54486       0.6402903 9.971858       0.5856836 0.8928452      1.353993  
1 1 1 -9  21 27 o 27.54262 0.7145998 7.587882       0.3918575 7.641758       0.5835262 7.543631       0.5288412 0.1757698      1.429200  
1 1 1 -9  21 28 o 63.51970 0.8185474 40.06844       1.034809  37.16334       1.382457  43.77029       1.560558  -5.190853      1.637095  
1 1 1 -9  21 29 o 40.90349 0.6915797 16.75084       0.5656117 16.36376       0.8017535 17.13435       0.7980506 -0.9421310     1.383159  
1 1 1 -9  21 30 o 77.76405 0.9294018 60.55021       1.445121  59.29315       2.016535  61.87737       2.072012  -1.657875      1.858804  
1 1 1 -9  21 31 o 20.98835 0.8238421 4.220240       0.3374706 5.787488       0.5410829 3.222454       0.4317313 6.103495       1.647684  
1 1 1 -9  21 32 o 21.59524 0.7982264 4.705391       0.3420703 4.289492       0.5012477 5.067923       0.4679842 -1.804548      1.596453  
1 1 1 -9  21 33 o 23.01554 1.206038  5.380650       0.5361757 3.709775       0.7416207 7.210436       0.7760865 -7.601343      2.412076  
1 1 1 -9  21 34 o 61.73738 0.8125655 38.16005       1.002701  38.90473       1.448539  37.47496       1.389376  1.153114       1.625131  
1 1 1 -9  21 35 o 48.70470 0.7459681 23.67193       0.7252068 21.87356       0.9931925 25.72577       1.061396  -3.949322      1.491936  
1 1 1 -9  21 36 o 23.35818 0.8139015 5.471312       0.3778118 5.430908       0.5660387 5.503775       0.5073752 -0.1612167     1.627803  
1 1 1 -9  21 37 o 58.48104 0.8028842 34.26513       0.9388424 33.21610       1.317312  35.34798       1.338386  -1.820724      1.605768  
1 1 1 -9  21 38 o 25.92859 0.7933599 6.743909       0.4086519 6.686187       0.6131512 6.790040       0.5481402 -0.2067642     1.586720  
1 1 1 -9  21 39 o 40.07800 0.7369683 16.10522       0.5890853 15.96106       0.8638545 16.23052       0.8053988 -0.3419418     1.473937  
1 1 1 -9  21 40 o 23.03536 0.8855792 5.399524       0.3997987 4.877346       0.6127485 5.786611       0.5275668 -1.983860      1.771158  
1 1 1 -9  21 41 o 92.72874 1.087346  86.39008       2.016063  87.00524       2.887763  85.80515       2.815884  0.6357346      2.174692  
1 1 1 -9  21 42 o 38.79361 0.7750317 15.10539       0.6002617 14.07384       0.8490160 16.13637       0.8487806 -2.658360      1.550063  
1 1 1 -9  21 43 o 26.59214 1.059726  7.187376       0.5471900 7.462998       0.7025960 6.762477       0.8723530 1.346638       2.119451  
1 1 1 -9  21 44 f 24.32686 1.352261  6.102776       0.6432310 4.930237       0.9461542 7.110402       0.8770978 -4.497089      2.704522  
1 1 1 -9  21 45 o 39.56876 1.726221  15.77417       1.366088  15.77417       1.366088  ?              ?         ?              ?         
1 1 1 -9  21 46 o 16.61214 1.497883  2.866734       0.4824360 3.195267       0.6344334 2.416311       0.7428590 2.374740       2.995766  
1 1 1 -9  21 47 o 20.43908 1.349104  4.282611       0.5431361 4.881354       0.7457955 3.606432       0.7925560 3.131264       2.698208  
1 1 1 -9  21 48 o 17.29976 1.707233  3.286191       0.5292000 4.569529       0.7332909 1.891336       0.7644870 7.956617       3.414467  
1 1 1 -9  21 49 o 20.86590 1.331489  4.401097       0.5543790 4.388026       0.7583151 4.416103       0.8125080 -0.5136108E-01 2.662978  
1 1 1 -9  21 50 o 51.95901 1.182954  27.24815       1.229245  27.20297       1.746060  27.29254       1.730870  -0.9039307E-01 2.365908  
1 1 1 -9  21 51 o 45.21643 1.162070  20.39650       1.044612  23.28362       1.581088  18.15994       1.391597  5.610172       2.324139  
1 1 1 -9  21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  22 1  o 89.73411 1.021501  80.35179       1.828982  77.14374       2.485826  84.13831       2.700651  -3.889908      2.043002  
1 1 1 -9  22 2  o 141.0056 1.516349  198.9630       4.270882  193.6241       5.865966  204.9858       6.230370  -4.010056      3.032699  
1 1 1 -9  22 3  o 57.96656 0.7511511 33.58374       0.8703289 34.68959       1.257158  32.56592       1.206091  1.830513       1.502302  
1 1 1 -9  22 4  o 108.7434 1.199083  118.3838       2.607370  119.9240       3.730950  116.9135       3.645298  1.380753       2.398165  
1 1 1 -9  22 5  o 115.1584 1.261500  132.6588       2.902542  129.4946       3.999085  136.1811       4.219398  -2.893745      2.523000  
1 1 1 -9  22 6  o 61.39202 0.7807552 37.38136       0.9535218 40.91267       1.442586  34.64151       1.270680  5.102909       1.561510  
1 1 1 -9  22 7  o 140.7055 1.513275  198.3850       4.257978  200.3936       6.080752  196.4525       5.964316  1.394485       3.026550  
1 1 1 -9  22 8  o 125.2081 1.359695  156.8899       3.401992  153.3386       4.696074  160.8118       4.935106  -2.973137      2.719391  
1 1 1 -9  22 9  o 82.08325 0.9524820 67.38900       1.562889  68.90910       2.253671  65.98062       2.169262  1.781044       1.904964  
1 1 1 -9  22 10 o 53.41809 0.7245262 28.52924       0.7737191 27.86275       1.074956  29.24570       1.114524  -1.293434      1.449052  
1 1 1 -9  22 11 o 83.83376 1.190356  68.07858       1.818026  75.96174       3.440194  65.02392       2.141488  6.467018       2.380713  
1 1 1 -9  22 12 o 63.22927 1.092894  39.90890       1.378936  41.79368       2.034683  38.30787       1.875276  2.749737       2.185788  
1 1 1 -9  22 13 o 120.7968 1.852088  146.3074       4.469642  150.3936       6.505773  142.6546       6.151177  3.176422       3.704177  
1 1 1 -9  22 14 o 43.73354 0.9152982 19.09619       0.7995397 18.09496       1.098054  20.22610       1.166486  -2.433811      1.830596  
1 1 1 -9  22 15 o 62.40740 0.9453852 39.48576       1.141470  41.09259       1.458179  36.94290       1.834374  3.340221       1.890770  
1 1 1 -9  22 16 o 46.29659 0.6976882 21.18122       0.6415867 19.20500       0.8489659 23.81290       0.9796915 -4.972385      1.395376  
1 1 1 -9  22 17 o 101.9976 1.138936  104.0849       2.321195  101.4772       3.200110  106.9803       3.371957  -2.688652      2.277872  
1 1 1 -9  22 18 o 44.92051 0.6839902 19.78594       0.6082677 17.14484       0.7962765 23.48646       0.9425447 -7.053967      1.367980  
1 1 1 -9  22 19 o 47.77025 0.6969791 22.73084       0.6639559 24.18277       0.9860853 21.52664       0.8980306 2.777084       1.393958  
1 1 1 -9  22 20 o 40.64341 0.6685497 16.03846       0.5349339 19.59011       0.8521764 13.72891       0.6871926 7.204857       1.337099  
1 1 1 -9  22 21 o 58.79578 0.7698717 34.51995       0.9041727 32.97598       1.241542  36.26363       1.319393  -2.792637      1.539743  
1 1 1 -9  22 22 o 55.29599 0.7492437 29.95019       0.8175533 34.65207       1.291417  26.80549       1.056138  7.085449       1.498487  
1 1 1 -9  22 23 o 22.26011 0.7503325 4.994514       0.3314940 4.588373       0.4870057 5.345143       0.4525004 -1.701284      1.500665  
1 1 1 -9  22 24 o 89.11029 1.025963  79.26192       1.823767  75.78201       2.473716  83.40585       2.699431  -4.263870      2.051925  
1 1 1 -9  22 25 o 129.1281 1.988528  166.0039       5.088204  154.4190       6.673031  182.0951       7.864484  -10.56046      3.977056  
1 1 1 -9  22 26 o 31.24193 0.6875454 9.755596       0.4281270 9.934643       0.6348168 9.606219       0.5798376 0.5229607      1.375091  
1 1 1 -9  22 27 o 23.57158 0.7537754 5.449236       0.3514988 6.391204       0.5481135 4.791255       0.4580984 3.389048       1.507551  
1 1 1 -9  22 28 o 63.29938 0.8133823 40.05200       1.028282  41.42546       1.503083  38.84370       1.409814  2.033649       1.626765  
1 1 1 -9  22 29 o 94.39047 1.078531  88.87905       2.028644  84.29910       2.731040  94.51688       3.030079  -5.386200      2.157063  
1 1 1 -9  22 30 o 38.24011 0.6956266 14.47899       0.5284801 16.04868       0.8062515 13.29652       0.6997749 3.592167       1.391253  
1 1 1 -9  22 31 o 24.62281 0.7743434 6.129118       0.3777685 5.401818       0.5492841 6.781884       0.5203779 -2.804464      1.548687  
1 1 1 -9  22 32 o 63.05363 0.8245506 39.50519       1.033973  42.88937       1.566729  36.89391       1.376239  4.738331       1.649101  
1 1 1 -9  22 33 o 93.22752 1.076678  87.10490       2.005322  89.40996       2.918549  85.04350       2.759994  2.323906       2.153357  
1 1 1 -9  22 34 o 40.31637 0.7190982 16.19705       0.5774416 17.16216       0.8651115 15.42158       0.7754736 2.151566       1.438196  
1 1 1 -9  22 35 o 38.57916 0.7196546 14.86026       0.5536649 15.52213       0.8211015 14.30842       0.7497544 1.567001       1.439309  
1 1 1 -9  22 36 o 46.96013 0.7452783 22.08548       0.6993705 22.33615       1.012600  21.85685       0.9670880 0.5060844      1.490557  
1 1 1 -9  22 37 f 70.55343 0.8944495 49.93146       1.262010  49.56327       1.792877  50.29305       1.776737  -0.5191040     1.788899  
1 1 1 -9  22 38 o 75.96591 0.9378207 57.90279       1.424545  57.96037       2.036188  57.84759       1.993705  0.6879425E-01  1.875641  
1 1 1 -9  22 39 o 76.22343 0.9428702 58.27015       1.436891  56.55137       2.002461  60.09448       2.063034  -2.315971      1.885740  
1 1 1 -9  22 40 o 63.35269 0.8494947 40.22813       1.075922  38.72928       1.501020  41.81201       1.543016  -2.427757      1.698989  
1 1 1 -9  22 41 o 30.59841 0.8028222 9.389229       0.4883360 9.394448       0.7319643 9.385043       0.6555585 0.5634308E-02  1.605644  
1 1 1 -9  22 42 f 69.41418 1.279589  48.20958       1.764090  51.53903       2.689182  45.69450       2.337271  4.131454       2.559177  
1 1 1 -9  22 43 o 41.46541 0.9872112 17.27391       0.8149902 17.24059       1.100964  17.31431       1.212188  -0.6954193E-01 1.974422  
1 1 1 -9  22 44 o 54.85847 0.8255891 30.19328       0.9045375 30.33433       1.315939  30.06694       1.245393  0.2330666      1.651178  
1 1 1 -9  22 45 o 27.73285 0.8647970 7.757299       0.4770059 7.327630       0.7004640 8.128865       0.6513833 -1.452892      1.729594  
1 1 1 -9  22 46 o 20.84707 1.045865  4.304799       0.4284879 4.733397       0.6842027 4.028234       0.5496145 1.662418       2.091729  
1 1 1 -9  22 47 f 31.63871 0.8472571 9.851407       0.5303594 11.56365       0.8264959 8.652792       0.6915096 4.574589       1.694514  
1 1 1 -9  22 48 o 31.54996 0.8686824 10.03268       0.5462742 9.502369       0.7920847 10.51371       0.7543899 -1.610109      1.737365  
1 1 1 -9  22 49 o 12.18130 1.745099  1.537971       0.4062610 1.767596       0.6341269 1.378106       0.5291075 1.522538       3.490198  
1 1 1 -9  22 50 o 29.74537 1.235960  8.928315       0.7346960 9.346596       1.064164  8.547360       1.015573  1.328594       2.471919  
1 1 1 -9  22 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  23 1  o 94.13765 1.063208  88.50443       1.997783  92.43572       2.939800  85.13111       2.723200  3.869438       2.126416  
1 1 1 -9  23 2  o 44.00511 0.6653496 19.37076       0.5853214 19.22826       0.8145339 19.52292       0.8416720 -0.3339996     1.330699  
1 1 1 -9  23 3  o 72.96510 0.8744833 52.48729       1.263310  58.91762       1.963574  47.94569       1.650192  7.506409       1.748967  
1 1 1 -9  23 4  o 67.32843 0.8259279 45.30114       1.110909  44.00246       1.527662  46.75865       1.618384  -2.043495      1.651856  
1 1 1 -9  23 5  o 68.30177 0.8341665 46.58859       1.137910  48.61579       1.663900  44.80746       1.559650  2.784004       1.668333  
1 1 1 -9  23 6  o 44.06791 0.6718780 19.34663       0.5905999 18.31378       0.8004098 20.58105       0.8750396 -2.570232      1.343756  
1 1 1 -9  23 7  o 60.37097 0.8371421 35.84892       0.9862401 39.27465       1.608899  33.78683       1.248263  4.531555       1.674284  
1 1 1 -9  23 8  o 61.46783 1.066783  37.78913       1.310246  38.92464       1.903290  36.76624       1.806435  1.751064       2.133566  
1 1 1 -9  23 9  f 43.98177 0.8967243 19.35526       0.7885229 19.67993       1.133119  19.05041       1.097990  0.7142296      1.793449  
1 1 1 -9  23 10 o 69.08099 1.163369  47.62833       1.603062  50.15360       2.374514  45.51348       2.173009  3.347755       2.326738  
1 1 1 -9  23 11 o 47.33164 0.8207335 22.40765       0.7430925 22.37149       0.9242412 22.47374       1.249682  -0.9579468E-01 1.641467  
1 1 1 -9  23 12 o 52.61891 0.7274374 27.35581       0.7600272 30.71943       1.163200  24.85003       1.003975  5.571823       1.454875  
1 1 1 -9  23 13 o 144.1100 1.550286  208.3460       4.468071  207.3498       6.286510  209.3629       6.351605  -0.6936188     3.100573  
1 1 1 -9  23 14 f 73.25073 0.8829530 53.31741       1.287059  57.60924       1.942262  49.95731       1.718552  5.213371       1.765906  
1 1 1 -9  23 15 f 46.87000 0.6943551 21.94685       0.6503375 22.93778       0.9432181 21.04888       0.8978876 2.013443       1.388710  
1 1 1 -9  23 16 o 36.59126 0.6649386 13.39177       0.4865050 13.08863       0.6793551 13.71089       0.6970292 -0.8496666     1.329877  
1 1 1 -9  23 17 o 54.97306 0.7493470 30.24613       0.8238610 30.25809       1.161527  30.23404       1.168737  0.2215576E-01  1.498694  
1 1 1 -9  23 18 o 96.92025 1.095992  94.09266       2.124180  95.04792       3.034710  93.17505       2.974290  0.9625854      2.191984  
1 1 1 -9  23 19 o 52.19726 0.7315124 26.61898       0.7535132 23.36906       0.9737810 31.46893       1.189580  -7.750080      1.463025  
1 1 1 -9  23 20 o 96.80833 1.095314  93.74035       2.117979  90.86549       2.907245  96.99185       3.091818  -3.152412      2.190629  
1 1 1 -9  23 21 o 10.76162 1.525960  1.408363       0.3255413 0.3759235      0.5203747 2.072237       0.4172794 -7.240680      3.051921  
1 1 1 -9  23 22 o 45.62814 0.9564443 20.79529       0.8711830 19.13169       1.199312  22.65373       1.267599  -3.855103      1.912889  
1 1 1 -9  23 23 o 77.43777 0.9236442 60.06581       1.430476  59.64164       2.016690  60.49533       2.029366  -0.5503845     1.847288  
1 1 1 -9  23 24 o 38.72169 0.6915934 14.81045       0.5317214 12.72355       0.7097135 17.48066       0.8027953 -6.138187      1.383187  
1 1 1 -9  23 25 o 40.07148 0.6852046 16.05381       0.5483193 16.40552       0.8011023 15.74382       0.7520969 0.8231735      1.370409  
1 1 1 -9  23 26 o 64.11996 0.8237347 40.55669       1.046787  36.75434       1.372116  45.85122       1.619117  -7.077293      1.647469  
1 1 1 -9  23 27 o 68.45070 0.8535102 46.91251       1.167966  47.70581       1.681499  46.17295       1.623533  1.115517       1.707020  
1 1 1 -9  23 28 o 51.20015 0.7430499 25.92605       0.7560655 23.22779       1.004094  29.45911       1.148966  -6.075668      1.486100  
1 1 1 -9  23 29 o 26.64442 0.7365687 7.092377       0.3915430 7.345936       0.5780901 6.877473       0.5322027 0.8758354      1.473137  
1 1 1 -9  23 30 o 47.36888 0.7345808 22.29038       0.6930204 19.98908       0.9344448 25.10340       1.033126  -5.390911      1.469162  
1 1 1 -9  23 31 o 68.83243 0.8699037 47.45949       1.196951  48.28821       1.725633  46.69107       1.661667  1.154282       1.739807  
1 1 1 -9  23 32 o 17.64028 1.023553  3.259794       0.3393306 2.007004       0.4830237 4.480552       0.4768084 -7.011744      2.047106  
1 1 1 -9  23 33 o 16.47192 0.9923808 2.756594       0.3220005 2.478348       0.4841711 2.977263       0.4311770 -1.520597      1.984762  
1 1 1 -9  23 34 o 50.54118 0.7557137 25.55277       0.7627416 26.34451       1.115766  24.85819       1.045061  1.463688       1.511427  
1 1 1 -9  23 35 o 14.31185 1.155379  2.059880       0.3263613 2.050375       0.5033782 2.066773       0.4286618 -0.6872082E-01 2.310758  
1 1 1 -9  23 36 o 21.89685 0.8549550 4.810267       0.3722352 4.789074       0.5566362 4.827411       0.5006445 -0.9405136E-01 1.709910  
1 1 1 -9  23 37 o 46.59365 0.7535507 21.36283       0.6957179 18.29664       0.9169887 25.52180       1.067966  -7.737186      1.507101  
1 1 1 -9  23 38 f 22.10958 0.9041451 4.985162       0.3931849 4.142609       0.5738189 5.730861       0.5398310 -3.596205      1.808290  
1 1 1 -9  23 39 f 34.37579 1.060279  11.95897       0.7234004 10.48814       1.038096  13.34748       1.008626  -4.163757      2.120558  
1 1 1 -9  23 40 f 39.52507 1.058893  15.58788       0.8309238 16.65786       1.269071  14.78497       1.099330  2.338421       2.117785  
1 1 1 -9  23 41 o 65.78620 0.8790542 43.41987       1.155574  44.01620       1.674421  42.87755       1.596797  0.8533936      1.758108  
1 1 1 -9  23 42 o 54.45683 0.8155921 29.37728       0.8807345 32.62683       1.357767  27.01676       1.157224  5.121613       1.631184  
1 1 1 -9  23 43 o 48.96391 0.7957931 24.07456       0.7786921 23.44938       1.113802  24.67230       1.089088  -1.252552      1.591586  
1 1 1 -9  23 44 o 21.26883 1.013295  4.597553       0.4261061 4.131893       0.6311565 4.987550       0.5776078 -2.022284      2.026589  
1 1 1 -9  23 45 o 43.18626 0.8065516 18.68107       0.6936191 19.19154       1.035999  18.26635       0.9337941 1.053036       1.613103  
1 1 1 -9  23 46 o 35.45366 0.8296803 12.63924       0.5868129 12.38206       0.8559855 12.86728       0.8060237 -0.6934319     1.659361  
1 1 1 -9  23 47 o 25.93507 0.9254393 6.781152       0.4765165 6.613741       0.7136265 6.915859       0.6401391 -0.5981560     1.850879  
1 1 1 -9  23 48 o 40.00660 0.8382531 16.13617       0.6685182 14.92896       0.9575406 17.28417       0.9337628 -2.948528      1.676506  
1 1 1 -9  23 49 o 26.24737 2.441569  7.961543       0.9102444 6.177367       2.082000  8.383161       1.012096  -5.106607      4.883139  
1 1 1 -9  24 1  o 113.5356 1.799125  129.3111       4.079964  125.7396       5.600870  133.3489       5.955307  -3.317940      3.598249  
1 1 1 -9  24 2  o 117.4846 1.851070  138.6206       4.347306  141.6714       6.268704  135.7940       6.034046  2.478912       3.702141  
1 1 1 -9  24 3  o 23.51312 1.391478  6.017704       0.4519598 4.905176       1.149979  6.220938       0.4915108 -2.839752      2.782955  
1 1 1 -9  24 4  o 84.33694 1.351748  71.04967       2.273249  74.63344       3.375370  68.07484       3.075265  3.867462       2.703495  
1 1 1 -9  24 5  o 118.6643 1.821089  141.1703       4.314223  136.4208       5.892505  146.6579       6.333838  -4.272087      3.642178  
1 1 1 -9  24 6  o 54.34264 0.9896947 29.20046       1.067282  32.57768       1.639160  26.71496       1.406208  5.382275       1.979389  
1 1 1 -9  24 7  o 73.73124 1.067959  53.79062       1.476729  52.58942       1.789730  56.35269       2.613826  -2.506699      2.135919  
1 1 1 -9  24 8  o 117.6022 1.291849  138.5615       3.037133  141.3435       4.375092  135.9739       4.219444  2.272408       2.583699  
1 1 1 -9  24 9  o 53.04104 0.7302330 28.00916       0.7722069 26.36997       1.042654  30.00062       1.149241  -3.418358      1.460466  
1 1 1 -9  24 10 o 22.20755 0.7346522 4.935630       0.3262330 4.928246       0.4567135 4.943322       0.4661576 -0.3357124E-01 1.469304  
1 1 1 -9  24 11 o 67.86980 0.8392513 46.10920       1.139124  45.82608       1.600234  46.40003       1.621914  -0.4218521     1.678503  
1 1 1 -9  24 12 o 50.94524 0.7218226 25.94588       0.7350539 26.94844       1.060678  25.01950       1.019586  1.891537       1.443645  
1 1 1 -9  24 13 o 63.05536 0.8048315 39.56125       1.011238  42.56492       1.511595  37.12797       1.360520  4.304531       1.609663  
1 1 1 -9  24 14 o 39.34881 0.6819911 15.49395       0.5366933 15.39872       0.7552782 15.59108       0.7627750 -0.2441406     1.363982  
1 1 1 -9  24 15 o 81.51645 0.9588376 66.30386       1.559172  69.85892       2.308258  63.32068       2.114468  3.999611       1.917675  
1 1 1 -9  24 16 o 19.27616 0.9803978 3.571331       0.3683349 4.411064       0.6106987 3.091198       0.4617821 3.414698       1.960796  
1 1 1 -9  24 17 f 50.48042 0.9943128 25.51049       1.003206  25.99902       1.450283  25.06225       1.389185  0.9239426      1.988626  
1 1 1 -9  24 18 o 71.76079 0.8817221 51.56851       1.265394  52.02935       1.800916  51.11915       1.778373  0.6328354      1.763444  
1 1 1 -9  24 19 o 50.08659 0.7279242 25.06045       0.7283577 23.99919       1.001458  26.25221       1.061248  -2.246078      1.455848  
1 1 1 -9  24 20 o 91.28786 1.046336  83.50226       1.910065  84.23156       2.729573  82.80247       2.673771  0.7786484      2.092673  
1 1 1 -9  24 21 o 54.65646 0.7565089 29.78652       0.8251921 28.01325       1.123415  31.86440       1.216082  -3.518040      1.513018  
1 1 1 -9  24 22 o 112.0141 1.242154  125.8846       2.782661  126.4489       3.956339  125.3322       3.914549  0.4944916      2.484307  
1 1 1 -9  24 23 o 72.21623 0.8849434 52.23400       1.277891  52.80760       1.829132  51.68709       1.786059  0.7726974      1.769887  
1 1 1 -9  24 24 o 31.42283 0.6933595 9.869960       0.4351010 10.15316       0.6361445 9.621020       0.5964258 0.8444118      1.386719  
1 1 1 -9  24 25 o 12.12469 1.184445  1.472414       0.2857125 1.502331       0.4284051 1.448448       0.3834406 0.2174768      2.368890  
1 1 1 -9  24 26 o 63.41116 0.8175251 40.15269       1.034412  42.12502       1.527177  38.48076       1.406074  2.864071       1.635050  
1 1 1 -9  24 27 o 75.89350 0.9202791 57.31900       1.390366  53.58426       1.859881  62.05002       2.093300  -5.555420      1.840558  
1 1 1 -9  24 28 o 29.94094 0.7329817 8.980675       0.4381137 8.949056       0.6386974 9.008774       0.6020944 -0.1025410     1.465963  
1 1 1 -9  24 29 o 72.81727 1.292091  52.50159       1.862410  48.08236       2.431234  58.77776       2.897345  -7.278656      2.584182  
1 1 1 -9  24 30 o 25.26178 0.7696813 6.289130       0.3855828 7.480652       0.5883769 5.392235       0.5104756 4.126686       1.539363  
1 1 1 -9  24 31 f 62.68519 0.8249636 39.38215       1.034207  38.85798       1.455211  39.91709       1.470081  -0.8433075     1.649927  
1 1 1 -9  24 32 o 57.76870 0.7957733 33.34316       0.9179425 31.45432       1.256589  35.50446       1.344165  -3.496555      1.591547  
1 1 1 -9  24 33 o 26.38581 0.7814788 7.025902       0.4094817 6.227174       0.5892633 7.771782       0.5694349 -2.929031      1.562958  
1 1 1 -9  24 34 o 36.73698 0.7287050 13.12533       0.5272345 16.08467       0.8378040 11.18489       0.6784134 6.652832       1.457410  
1 1 1 -9  24 35 o 46.77708 0.7496719 21.92631       0.7008165 20.77648       0.9827361 23.11615       0.9996896 -2.499054      1.499344  
1 1 1 -9  24 36 o 35.16956 1.057343  12.44076       0.7343748 9.975471       1.015461  15.14388       1.063317  -7.340519      2.114687  
1 1 1 -9  24 37 o 33.91516 1.051173  11.55990       0.7105336 11.53607       1.048864  11.58011       0.9659427 -0.7842255E-01 2.102345  
1 1 1 -9  24 38 o 64.47350 0.8616456 41.68797       1.110251  42.43884       1.606596  41.00160       1.536044  1.104237       1.723291  
1 1 1 -9  24 39 o 66.51997 0.8754451 44.39161       1.163801  45.06163       1.684124  43.77921       1.610096  0.9525146      1.750890  
1 1 1 -9  24 40 o 38.22059 0.7666798 14.50579       0.5821061 15.88506       0.8882858 13.46769       0.7706375 3.146336       1.533360  
1 1 1 -9  24 41 o 52.60114 0.8021407 27.70420       0.8418562 28.58410       1.241534  26.95529       1.145397  1.533737       1.604281  
1 1 1 -9  24 42 o 20.76863 1.002000  4.259377       0.4117301 4.884459       0.6424211 3.823637       0.5363716 2.532721       2.004000  
1 1 1 -9  24 43 f 46.05495 0.7937688 21.31366       0.7300950 20.76919       1.052740  21.81820       1.013404  -1.145458      1.587538  
1 1 1 -9  24 44 o 22.49675 1.020040  5.013213       0.4526561 5.571469       0.7141967 4.638399       0.5852058 2.044559       2.040080  
1 1 1 -9  24 45 o 27.32033 0.8948811 7.552060       0.4832946 7.138008       0.7299717 7.875202       0.6448750 -1.366291      1.789762  
1 1 1 -9  24 46 o 17.19432 1.305513  3.156061       0.4226028 2.072469       0.6243873 4.072070       0.5740784 -5.829753      2.611025  
1 1 1 -9  24 47 o 27.11182 0.9138364 7.424417       0.4914078 7.131003       0.7357557 7.660711       0.6602677 -0.9939480     1.827673  
1 1 1 -9  24 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  25 1  o 81.90254 1.316524  67.26892       2.156317  67.98657       3.076295  66.57576       3.023378  0.8570557      2.633049  
1 1 1 -9  25 2  o 13.48964 1.135521  1.849487       0.3019463 2.115621       0.4160418 1.553295       0.4389084 2.085825       2.271042  
1 1 1 -9  25 3  o 68.82674 1.001143  48.14418       1.345490  51.13173       1.756917  43.90693       2.092358  5.268333       2.002286  
1 1 1 -9  25 4  o 42.08038 0.6735848 17.72014       0.5668051 18.15689       0.8049638 17.29065       0.7982453 1.028999       1.347170  
1 1 1 -9  25 5  o 30.65349 0.9449193 10.04807       0.5055736 10.85446       0.5997778 8.068599       0.9397004 4.562160       1.889839  
1 1 1 -9  25 6  o 38.25925 1.078600  14.65429       0.8244545 15.63304       1.183361  13.73109       1.149295  2.483410       2.157199  
1 1 1 -9  25 7  o 34.25297 1.083953  11.76057       0.7410004 12.77111       1.056879  10.78353       1.039210  2.900158       2.167905  
1 1 1 -9  25 8  o 16.06842 1.529442  2.593369       0.4912602 2.496992       0.6946418 2.689805       0.6948518 -0.5999556     3.058884  
1 1 1 -9  25 9  o 104.1135 1.438919  109.1512       2.827707  107.7194       4.869478  109.8797       3.473340  -1.162506      2.877838  
1 1 1 -9  25 10 o 44.88759 0.7029820 19.78893       0.6249934 17.35870       0.8185536 23.18635       0.9678301 -6.484566      1.405964  
1 1 1 -9  25 11 f 84.71765 0.9870619 71.86956       1.671802  70.74609       2.326215  73.06970       2.404289  -1.366219      1.974124  
1 1 1 -9  25 12 o 11.78753 1.162580  1.391370       0.2735269 1.519651       0.3940343 1.272065       0.3799982 1.049082       2.325160  
1 1 1 -9  25 13 f 23.17010 0.7444609 5.374470       0.3449176 5.515780       0.4893175 5.234914       0.4862711 0.6059361      1.488922  
1 1 1 -9  25 14 f 13.04045 1.120969  1.701321       0.2874114 1.307715       0.3929377 2.154194       0.4214844 -3.243376      2.241939  
1 1 1 -9  25 15 o 61.39473 0.8002867 37.68793       0.9818349 39.01280       1.424892  36.49019       1.354807  2.050495       1.600573  
1 1 1 -9  25 16 o 52.43835 0.7438998 27.52732       0.7801586 27.79594       1.106707  27.26197       1.099945  0.5087814      1.487800  
1 1 1 -9  25 17 o 48.17884 0.7214893 23.17930       0.6942800 24.40038       1.014229  22.10255       0.9524048 2.381401       1.442979  
1 1 1 -9  25 18 o 74.17211 0.9014218 55.10556       1.337074  55.68202       1.907428  54.54864       1.874810  0.7617188      1.802844  
1 1 1 -9  25 19 o 31.93608 0.6997654 10.20841       0.4469002 10.42482       0.6370782 9.998751       0.6270652 0.6664886      1.399531  
1 1 1 -9  25 20 o 15.64400 0.9401584 2.438549       0.2932353 2.634246       0.4362520 2.277257       0.3960513 1.137794       1.880317  
1 1 1 -9  25 21 o 39.92297 0.6956812 15.34085       0.5443005 19.43534       0.8819946 12.82233       0.6917326 8.270641       1.391362  
1 1 1 -9  25 22 o 36.59695 0.6882356 13.37455       0.5028454 13.98313       0.7385484 12.84863       0.6865562 1.546696       1.376471  
1 1 1 -9  25 23 o 51.85020 0.7447935 26.89702       0.7716600 27.57284       1.120105  26.28653       1.064594  1.236355       1.489587  
1 1 1 -9  25 24 o 56.07149 0.7739714 30.80516       0.8562357 35.76693       1.353590  27.49537       1.105525  7.356045       1.547943  
1 1 1 -9  25 25 o 80.64333 0.9626149 64.98962       1.548475  68.16602       2.292589  62.32489       2.099834  3.602074       1.925230  
1 1 1 -9  25 26 o 35.32714 0.7032660 12.38983       0.4946036 13.71520       0.7438061 11.33923       0.6622298 3.356598       1.406532  
1 1 1 -9  25 27 o 5.354496 1.540465  0.6276333E-01  0.2741986 -0.2262146     0.4170350 0.2828183      0.3639199 -1.402937      3.080930  
1 1 1 -9  25 28 f 15.67661 1.033060  2.526111       0.3159383 1.993141       0.4632680 2.989520       0.4319795 -3.181682      2.066120  
1 1 1 -9  25 29 o 21.04790 0.8444265 4.425970       0.3538207 4.594479       0.5303911 4.290851       0.4749440 0.7154045      1.688853  
1 1 1 -9  25 30 o 21.83862 0.8351843 4.691783       0.3603733 5.861970       0.5499354 3.811098       0.4770832 4.687536       1.670369  
1 1 1 -9  25 31 o 36.44083 0.7322192 13.22623       0.5307752 11.42719       0.7230302 15.32882       0.7816514 -5.347569      1.464438  
1 1 1 -9  25 32 o 55.02769 0.7829120 30.33768       0.8613933 29.40561       1.203784  31.31576       1.233134  -1.732433      1.565824  
1 1 1 -9  25 33 o 54.45988 1.089389  29.78268       1.184642  30.15533       1.729805  29.45353       1.625711  0.6278648      2.178778  
1 1 1 -9  25 34 o 33.10315 1.063859  11.10194       0.6980060 10.08576       1.027214  11.97366       0.9513991 -2.863337      2.127717  
1 1 1 -9  25 35 f 35.95744 0.7782364 12.88835       0.5576370 14.52073       0.8218942 11.49595       0.7590814 4.198357       1.556473  
1 1 1 -9  25 36 f 12.40413 1.416541  1.640205       0.3280391 1.312150       0.5106316 1.870733       0.4280517 -2.465164      2.833081  
1 1 1 -9  25 37 o 43.51345 0.7566481 18.74802       0.6528687 20.80752       1.006585  17.25249       0.8577610 4.065109       1.513296  
1 1 1 -9  25 38 o 13.09885 1.320258  1.738367       0.3386870 1.692482       0.5323826 1.769562       0.4389713 -0.3160095     2.640517  
1 1 1 -9  25 39 f 51.42019 0.7934404 26.41634       0.8126785 27.72502       1.215678  25.35899       1.092730  2.282379       1.586881  
1 1 1 -9  25 40 o 29.47294 0.8427589 8.854989       0.4886017 7.242791       0.7061995 10.33539       0.6767173 -5.251360      1.685518  
1 1 1 -9  25 41 o 52.69994 0.8111027 27.80544       0.8527647 28.88791       1.259913  26.89029       1.158449  1.878204       1.622205  
1 1 1 -9  25 42 o 58.18170 0.8457338 33.97613       0.9835452 32.39436       1.371170  35.65255       1.411597  -2.792381      1.691468  
1 1 1 -9  25 43 o 28.58243 0.8772298 8.260104       0.4979867 7.647120       0.7310219 8.790876       0.6802364 -2.010696      1.754460  
1 1 1 -9  25 44 o 33.30314 0.8368554 11.19557       0.5530904 9.580913       0.7808022 12.82175       0.7835812 -4.865124      1.673711  
1 1 1 -9  25 45 o 29.50972 0.8902735 8.687502       0.5207653 9.264049       0.8010407 8.265450       0.6853624 1.665995       1.780547  
1 1 1 -9  25 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  26 1  o 113.4574 1.252926  129.1327       2.843066  129.4982       4.026549  128.7693       4.014883  0.3201675      2.505853  
1 1 1 -9  26 2  o 57.03744 0.7624021 32.55828       0.8695380 33.39643       1.243045  31.75516       1.216800  1.437347       1.524804  
1 1 1 -9  26 3  o 30.10360 0.6620175 9.032890       0.3976854 8.514071       0.5407697 9.643957       0.5868801 -1.874504      1.324035  
1 1 1 -9  26 4  o 57.10291 0.7613642 32.38247       0.8651316 30.14695       1.154714  35.24305       1.306206  -4.454041      1.522728  
1 1 1 -9  26 5  o 81.16234 0.9546058 65.91784       1.548407  67.89886       2.243299  64.11521       2.139915  2.323921       1.909212  
1 1 1 -9  26 6  o 79.32050 0.9387130 62.98129       1.488482  64.54476       2.145717  61.53101       2.066576  1.894455       1.877426  
1 1 1 -9  26 7  f 78.12888 0.9295204 61.03526       1.450697  63.38449       2.116006  58.95179       1.992730  2.828575       1.859041  
1 1 1 -9  26 8  o 60.09595 0.7848370 36.16104       0.9432992 36.37531       1.334356  35.94698       1.333698  0.3563347      1.569674  
1 1 1 -9  26 9  o 27.08904 0.7035772 7.285266       0.3787408 8.561569       0.5619391 6.222898       0.5126840 4.314087       1.407154  
1 1 1 -9  26 10 o 67.25311 0.8420283 45.29855       1.132567  45.34734       1.598293  45.24936       1.605113  0.7327271E-01  1.684057  
1 1 1 -9  26 11 f 22.89745 0.8429369 4.975540       0.3754411 4.055354       0.4698299 6.601249       0.6244882 -5.549191      1.685874  
1 1 1 -9  26 12 o 70.64436 1.098673  49.34986       1.422072  48.34876       1.691138  51.76675       2.627648  -2.338341      2.197347  
1 1 1 -9  26 13 o 67.68735 1.237371  45.78363       1.669762  43.68537       2.255245  48.32938       2.484109  -3.407333      2.474743  
1 1 1 -9  26 14 o 36.37157 1.056443  13.26394       0.7679808 13.27040       1.067001  13.25699       1.106239  0.2189636E-01  2.112887  
1 1 1 -9  26 15 o 39.71557 1.042508  15.66496       0.8241323 14.15298       1.103981  17.56816       1.238599  -4.287624      2.085016  
1 1 1 -9  26 16 o 27.85256 0.9890801 7.845893       0.5415314 7.366594       0.8327824 8.197049       0.7128177 -1.501078      1.978160  
1 1 1 -9  26 17 o 109.8595 1.513813  121.1014       3.116455  122.2528       5.473415  120.5490       3.790965  0.5485001      3.027627  
1 1 1 -9  26 18 f 53.09801 0.7584772 28.08536       0.8029737 30.19031       1.194506  26.34998       1.084587  3.608360       1.516954  
1 1 1 -9  26 19 o 59.17377 0.7939851 35.02761       0.9388304 36.24256       1.363254  33.93160       1.294803  1.947273       1.587970  
1 1 1 -9  26 20 o 43.73182 0.7073822 18.97380       0.6153327 20.89185       0.9315661 17.48919       0.8195751 3.882183       1.414764  
1 1 1 -9  26 21 o 53.79266 0.7578375 28.98207       0.8152637 28.52838       1.146064  29.44683       1.159976  -0.8525810     1.515675  
1 1 1 -9  26 22 o 73.67818 0.9030107 54.33318       1.329010  56.06429       1.938279  52.79719       1.825772  2.206291       1.806021  
1 1 1 -9  26 23 o 23.19889 0.7975203 5.241344       0.3627920 6.981499       0.5633590 4.008348       0.4742118 6.400145       1.595041  
1 1 1 -9  26 24 o 88.42865 1.033009  78.20957       1.822589  74.91844       2.475859  82.10287       2.692850  -4.036339      2.066018  
1 1 1 -9  26 25 o 21.16789 0.8532977 4.309487       0.3489486 6.295361       0.5524880 2.991560       0.4500829 7.793468       1.706595  
1 1 1 -9  26 26 o 33.04850 1.039631  10.94958       0.6861459 10.71288       0.9409869 11.21832       1.002660  -0.7566071     2.079262  
1 1 1 -9  26 27 o 48.21703 0.7409722 22.81295       0.7057835 26.46655       1.109381  20.32867       0.9147871 6.345829       1.481944  
1 1 1 -9  26 28 o 15.14909 1.111966  2.376837       0.3263411 1.805085       0.4803617 2.866908       0.4447274 -3.509782      2.223932  
1 1 1 -9  26 29 o 6.782562 1.706273  0.3990570      0.2898647 0.4050489      0.4421421 0.3945404      0.3838679 0.2722335      3.412546  
1 1 1 -9  26 30 o 22.44879 1.252123  5.299559       0.5277690 3.259497       0.7523312 7.276304       0.7405642 -8.948586      2.504246  
1 1 1 -9  26 31 o 30.12576 1.064650  9.189444       0.6363697 8.273424       0.9277611 10.00335       0.8745220 -2.879414      2.129299  
1 1 1 -9  26 32 o 73.30804 0.9214503 53.91893       1.350773  52.98526       1.889656  54.89451       1.931596  -1.296379      1.842901  
1 1 1 -9  26 33 o 59.50564 0.8175499 35.43144       0.9717593 33.64341       1.335164  37.44548       1.417038  -3.183743      1.635100  
1 1 1 -9  26 34 o 19.17411 0.9742958 3.592765       0.3682871 4.355613       0.5830737 3.086407       0.4750439 3.291283       1.948592  
1 1 1 -9  26 35 o 61.83662 0.8372917 38.33220       1.034323  39.15074       1.505228  37.59994       1.423684  1.241909       1.674583  
1 1 1 -9  26 36 o 7.598769 1.694294  0.4253457      0.3202157 1.033015       0.5037913 0.1343104E-01  0.4147825 4.593053       3.388588  
1 1 1 -9  26 37 o 18.35699 1.048422  3.357390       0.3819559 3.642215       0.5854149 3.146267       0.5040133 1.334654       2.096845  
1 1 1 -9  26 38 o 33.11950 0.7907269 10.90648       0.5190119 11.73178       0.8000378 10.30674       0.6819994 2.132782       1.581454  
1 1 1 -9  26 39 o 23.41328 0.9389133 5.623455       0.4289170 4.295228       0.6158659 6.874491       0.5977022 -5.511583      1.877827  
1 1 1 -9  26 40 o 10.12459 1.728366  0.9829969      0.3536588 1.679945       0.5754797 0.5600497      0.4483043 5.059745       3.456733  
1 1 1 -9  26 41 o 27.41888 0.8804299 7.619350       0.4785942 6.705474       0.6927952 8.453608       0.6619282 -3.193827      1.760860  
1 1 1 -9  26 42 o 26.31109 0.8868418 6.887445       0.4603568 7.379836       0.7222272 6.550483       0.5974604 1.550114       1.773684  
1 1 1 -9  26 43 o 27.21222 0.9015604 7.516096       0.4859663 6.760267       0.7140393 8.168294       0.6632844 -2.598576      1.803121  
1 1 1 -9  26 44 o 24.14001 1.109345  6.004861       0.5119380 5.409238       0.8358222 6.362466       0.6476346 -2.024237      2.218689  
1 1 1 -9  26 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  27 1  o 18.18843 0.8166059 3.295099       0.2948219 2.766395       0.4020170 3.910309       0.4336610 -3.142342      1.633212  
1 1 1 -9  27 2  o 24.73865 0.7061388 6.128108       0.3490065 6.138571       0.4827815 6.116653       0.5051152 0.4568481E-01  1.412278  
1 1 1 -9  27 3  o 101.7010 1.145421  103.2352       2.320303  98.23879       3.116549  109.4489       3.475531  -5.475235      2.290841  
1 1 1 -9  27 4  o 29.80935 0.6739796 8.870023       0.4011433 8.456532       0.5482139 9.346571       0.5885341 -1.490503      1.347959  
1 1 1 -9  27 5  o 59.20616 0.7828606 35.07484       0.9265645 36.22462       1.335266  34.00703       1.286798  1.869442       1.565721  
1 1 1 -9  27 6  o 81.39753 0.9598776 66.30154       1.560999  68.67192       2.271958  64.18198       2.148391  2.747574       1.919755  
1 1 1 -9  27 7  f 51.48575 0.7334047 26.53221       0.7550344 27.17405       1.080939  25.92070       1.055090  1.215500       1.466809  
1 1 1 -9  27 8  o 64.14738 0.8220602 41.20905       1.054525  42.01590       1.504965  40.43081       1.478046  1.233524       1.644120  
1 1 1 -9  27 9  o 58.43694 0.7783096 34.18340       0.9093909 35.10540       1.304077  33.31062       1.268794  1.533150       1.556619  
1 1 1 -9  27 10 o 38.83697 0.6895811 15.02293       0.5341842 16.52090       0.7875803 13.74669       0.7269573 3.567726       1.379162  
1 1 1 -9  27 11 o 103.4861 1.163920  107.4660       2.408701  108.6138       3.439006  106.3606       3.374739  1.081558       2.327840  
1 1 1 -9  27 12 o 56.04768 0.7721028 31.05500       0.8586263 28.34417       1.130567  34.74953       1.319850  -5.699909      1.544206  
1 1 1 -9  27 13 o 75.95145 0.9171088 57.80798       1.392781  57.12825       1.944398  58.52427       1.995995  -0.9142609     1.834218  
1 1 1 -9  27 14 o 80.46104 0.9572889 64.90835       1.540437  65.40960       2.189470  64.41702       2.167708  0.6146698      1.914578  
1 1 1 -9  27 15 o 53.41767 0.7559747 28.51896       0.8066996 29.95960       1.175839  27.23791       1.108801  2.542274       1.511949  
1 1 1 -9  27 16 o 83.46359 0.9854417 69.86108       1.644946  70.14999       2.334087  69.57597       2.318600  0.3422775      1.970883  
1 1 1 -9  27 17 o 33.09422 0.7160212 10.87795       0.4716050 12.48593       0.7013037 9.550511       0.6371961 4.430071       1.432042  
1 1 1 -9  27 18 o 78.45923 0.9467763 61.72697       1.485615  61.52029       2.090852  61.93770       2.111250  -0.2638931     1.893553  
1 1 1 -9  27 19 o 15.20763 1.098777  2.324426       0.3335209 2.498235       0.4722320 2.151442       0.4711095 1.140055       2.197554  
1 1 1 -9  27 20 o 29.57778 0.7234110 8.747970       0.4258226 7.602815       0.5884880 10.00647       0.6169263 -4.060900      1.446822  
1 1 1 -9  27 21 o 75.28633 1.149264  57.38416       1.633075  58.32797       2.011117  55.55707       2.798164  1.947250       2.298528  
1 1 1 -9  27 22 o 55.53762 1.027905  30.89245       1.107363  30.68653       1.402264  31.23365       1.804999  -0.4412231     2.055810  
1 1 1 -9  27 23 o 63.36083 1.202306  40.08115       1.516300  37.67558       2.027381  43.13499       2.284276  -4.268127      2.404612  
1 1 1 -9  27 24 o 12.04711 1.985940  1.509265       0.4780372 2.083080       0.7042471 1.018965       0.6509836 4.159287       3.971879  
1 1 1 -9  27 25 o 79.72375 1.384984  63.90472       2.204683  62.01949       3.016195  66.06754       3.230624  -2.498444      2.769969  
1 1 1 -9  27 26 o 25.91277 1.642552  0.000000       0.000000  ?              ?         6.750113       0.8512611 ?              ?         
1 1 1 -9  27 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  27 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  27 29 o 20.83532 1.304173  4.372409       0.5432694 4.371514       0.7785231 4.373259       0.7584672 -0.8104324E-02 2.608346  
1 1 1 -9  27 30 o 48.42212 1.006415  23.72389       0.9633128 22.30667       1.452708  24.83616       1.286961  -2.638561      2.012830  
1 1 1 -9  27 31 o 65.31166 1.053628  43.45264       1.312711  40.93950       2.183204  44.87572       1.642859  -3.109795      2.107255  
1 1 1 -9  27 32 o 27.63244 0.9846543 7.596641       0.4960272 7.856985       0.9211697 7.490326       0.5886576 0.6068764      1.969309  
1 1 1 -9  27 33 o 7.850139 1.945631  0.4330657      0.3475932 0.9094864      0.6759115 0.2617692      0.4052926 3.406522       3.891262  
1 1 1 -9  27 34 o 47.96401 0.8576253 23.28132       0.8071110 22.05623       1.251968  24.15257       1.055796  -2.215816      1.715251  
1 1 1 -9  27 35 f 26.93286 0.9483306 7.249277       0.4846611 7.417057       0.8329626 7.163401       0.5959232 0.4277668      1.896661  
1 1 1 -9  27 36 o 38.30975 0.8640236 14.63444       0.6387582 15.13013       1.060130  14.35192       0.8003508 0.9711342      1.728047  
1 1 1 -9  27 37 o 61.22232 0.9324987 37.88296       1.126684  36.33282       1.720237  39.04746       1.490984  -2.262421      1.864997  
1 1 1 -9  27 38 o 54.65444 0.9086696 30.27565       0.9775550 28.48673       1.497289  31.60470       1.290573  -2.893917      1.817339  
1 1 1 -9  27 39 f 26.13344 0.9838897 6.687091       0.4875127 7.444519       0.8548342 6.322000       0.5934885 2.090469       1.967779  
1 1 1 -9  27 40 f 25.90284 1.012605  6.824726       0.4961727 6.536603       0.8436041 6.977111       0.6135089 -0.9041252     2.025209  
1 1 1 -9  27 41 o 45.24672 0.9219514 21.00625       0.8121570 18.51434       1.258126  22.78649       1.063401  -4.765499      1.843903  
1 1 1 -9  27 42 o 18.96547 1.441767  3.674748       0.4840713 3.590607       0.9283544 3.706167       0.5672970 -0.4274368     2.883534  
1 1 1 -9  27 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  28 1  o 62.03433 0.8065007 38.55775       1.000597  38.83981       1.415655  38.27618       1.414462  0.4541893      1.613001  
1 1 1 -9  28 2  o 31.11366 0.6783121 9.646804       0.4202214 11.02704       0.6161525 8.446503       0.5745879 4.143984       1.356624  
1 1 1 -9  28 3  o 49.00724 0.7190577 24.05504       0.7047087 24.12263       0.9903344 23.98571       1.003004  0.1406517      1.438115  
1 1 1 -9  28 4  f 44.55135 0.7027067 19.38078       0.6177635 16.84080       0.7985780 23.16585       0.9748524 -7.085533      1.405413  
1 1 1 -9  28 5  o 26.80461 0.7041951 7.200064       0.3772687 7.430624       0.5304959 6.964138       0.5366341 0.8706150      1.408390  
1 1 1 -9  28 6  o 21.06141 0.7806260 4.437678       0.3284743 4.315937       0.4521333 4.573755       0.4780119 -0.6099262     1.561252  
1 1 1 -9  28 7  f 82.19096 0.9700524 67.56425       1.591694  70.63854       2.338442  64.91036       2.172679  3.467636       1.940105  
1 1 1 -9  28 8  o 30.32027 0.6913942 9.204449       0.4191072 9.137831       0.5838267 9.275280       0.6020054 -0.2253227     1.382788  
1 1 1 -9  28 9  o 56.88134 0.7721688 32.33527       0.8773142 34.02698       1.280612  30.83912       1.204318  2.795879       1.544338  
1 1 1 -9  28 10 f 25.04873 0.7437904 6.263556       0.3706587 7.221955       0.5405638 5.413077       0.5092203 3.608198       1.487581  
1 1 1 -9  28 11 o 27.36024 0.7279714 7.443200       0.3965105 8.520924       0.5873456 6.540742       0.5374690 3.614731       1.455943  
1 1 1 -9  28 12 o 24.21757 0.7759170 5.876304       0.3756564 5.652593       0.5289760 6.103919       0.5335706 -0.9314175     1.551834  
1 1 1 -9  28 13 o 58.18892 0.7871681 33.82286       0.9143616 32.28690       1.247107  35.60833       1.344595  -2.845245      1.574336  
1 1 1 -9  28 14 o 15.46605 1.024932  2.400153       0.3159844 2.667116       0.4531070 2.147401       0.4408825 1.678727       2.049864  
1 1 1 -9  28 15 o 60.00436 0.8018623 36.08018       0.9622310 35.85958       1.350928  36.30736       1.370893  -0.3712196     1.603725  
1 1 1 -9  28 16 o 34.06177 0.7184107 11.55865       0.4879726 12.80239       0.7196117 10.49991       0.6639402 3.374992       1.436821  
1 1 1 -9  28 17 o 42.49986 0.7223830 18.08976       0.6138636 18.34400       0.8803206 17.84913       0.8564404 0.5800438      1.444766  
1 1 1 -9  28 18 o 13.32625 1.343645  1.861576       0.3226182 2.865259       0.4745570 0.9990913      0.4399121 7.141135       2.687291  
1 1 1 -9  28 19 f 42.92256 0.7235529 18.42130       0.6202904 17.76005       0.8505691 19.17245       0.9065509 -1.639938      1.447106  
1 1 1 -9  28 20 o 60.06174 0.8078197 36.07802       0.9691018 34.50108       1.329504  37.86574       1.415576  -2.791634      1.615639  
1 1 1 -9  28 21 f 61.10125 0.8139663 37.35503       0.9932376 38.74177       1.452954  36.13850       1.360864  2.120094       1.627933  
1 1 1 -9  28 22 o 91.08536 1.062032  83.14741       1.931830  80.14058       2.645483  86.58258       2.827646  -3.509575      2.124064  
1 1 1 -9  28 23 o 105.5531 1.682070  112.4698       3.544471  116.0737       5.201679  109.3459       4.842816  3.100975       3.364141  
1 1 1 -9  28 24 o 57.59651 1.099734  33.35288       1.265937  32.92011       1.817530  33.76065       1.764269  -0.7382202     2.199467  
1 1 1 -9  28 25 f 58.56696 0.9488977 35.01360       1.090782  38.57269       1.460043  30.51788       1.640953  6.901455       1.897795  
1 1 1 -9  28 26 f 19.83611 0.8988270 4.004394       0.3515177 3.441337       0.5165697 4.489974       0.4797158 -2.648247      1.797654  
1 1 1 -9  28 27 o 28.61354 0.7654968 8.078567       0.4344925 9.353601       0.6672722 7.140027       0.5724907 3.856215       1.530994  
1 1 1 -9  28 28 o 17.43364 0.9933141 3.068342       0.3425027 2.950306       0.5190895 3.159351       0.4558021 -0.6103611     1.986628  
1 1 1 -9  28 29 o 33.62559 0.7492446 11.35643       0.5024599 11.07073       0.7333210 11.60926       0.6898416 -0.8065033     1.498489  
1 1 1 -9  28 30 o 37.14864 0.7423643 13.85028       0.5507087 12.94094       0.7775840 14.76542       0.7800611 -2.455318      1.484729  
1 1 1 -9  28 31 o 50.73811 0.7786480 25.67843       0.7878624 23.42440       1.070784  28.33913       1.163378  -4.830208      1.557296  
1 1 1 -9  28 32 o 44.82340 0.7786452 20.13075       0.6962073 20.50620       1.026333  19.81072       0.9475511 0.7641296      1.557290  
1 1 1 -9  28 33 o 60.33009 0.8357500 36.47299       1.007485  34.67052       1.391545  38.45868       1.460559  -3.128067      1.671500  
1 1 1 -9  28 34 o 63.69827 0.8588351 40.71588       1.093180  41.45794       1.584778  40.04227       1.509918  1.098145       1.717670  
1 1 1 -9  28 35 f 46.43085 0.7807131 21.60081       0.7226603 22.12158       1.070955  21.16545       0.9791904 1.013718       1.561426  
1 1 1 -9  28 36 o 44.51651 0.7948214 19.89404       0.7066014 18.47322       0.9899581 21.36970       1.008881  -3.249950      1.589643  
1 1 1 -9  28 37 o 76.15225 0.9632515 58.33668       1.467037  57.78081       2.072225  58.89522       2.077193  -0.7306137     1.926503  
1 1 1 -9  28 38 o 26.66772 0.8717417 7.131483       0.4611550 7.277087       0.7013824 7.020606       0.6120502 0.4622803      1.743483  
1 1 1 -9  28 39 o 59.47488 0.8676206 35.57254       1.031729  34.98990       1.468782  36.14004       1.449579  -0.9711151     1.735241  
1 1 1 -9  28 40 o 56.25375 1.089238  32.35255       1.137785  30.66862       1.999138  33.15934       1.383759  -2.373497      2.178476  
1 1 1 -9  28 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  29 1  o 77.06416 0.9303948 59.19635       1.427308  55.93394       1.910078  63.32138       2.147809  -4.765457      1.860790  
1 1 1 -9  29 2  f 65.61446 0.8404525 43.15523       1.102756  42.93336       1.544733  43.38580       1.574767  -0.3416367     1.680905  
1 1 1 -9  29 3  o 59.59162 0.7937063 35.43092       0.9431395 33.63567       1.275105  37.59949       1.401428  -3.313412      1.587413  
1 1 1 -9  29 4  o 66.08338 0.8410339 43.77681       1.111490  43.66738       1.561805  43.88911       1.582160  -0.1656494     1.682068  
1 1 1 -9  29 5  o 55.61835 0.7653490 30.99353       0.8511481 30.82384       1.189425  31.17163       1.218512  -0.3098946     1.530698  
1 1 1 -9  29 6  o 43.48762 0.7051728 18.91556       0.6128390 19.90337       0.8861060 18.00986       0.8484880 2.173775       1.410346  
1 1 1 -9  29 7  o 45.02026 0.7125981 20.30135       0.6415321 20.80124       0.9130864 19.81401       0.9015505 1.095409       1.425196  
1 1 1 -9  29 8  f 70.52487 0.8767162 49.87171       1.236580  50.24635       1.755279  49.50258       1.742370  0.5258865      1.753432  
1 1 1 -9  29 9  o 79.81969 0.9567754 63.92062       1.527353  63.78580       2.151572  64.05756       2.168535  -0.1681747     1.913551  
1 1 1 -9  29 10 o 80.58055 0.9636360 64.74174       1.546336  69.47689       2.321610  60.96598       2.073125  5.250175       1.927272  
1 1 1 -9  29 11 o 84.65390 0.9982654 71.91837       1.690010  71.34639       2.372204  72.50789       2.408275  -0.6813354     1.996531  
1 1 1 -9  29 12 o 10.29115 1.476107  1.119241       0.3033662 0.5152879      0.4226502 1.761055       0.4356964 -5.891802      2.952214  
1 1 1 -9  29 13 o 49.49949 0.7462866 24.40468       0.7363576 26.44091       1.097256  22.73624       0.9932315 3.731743       1.492573  
1 1 1 -9  29 14 o 71.71439 0.8939948 51.49181       1.280675  49.76168       1.758829  53.44428       1.868432  -2.554314      1.787990  
1 1 1 -9  29 15 o 21.71140 0.8315730 4.718060       0.3595903 5.341983       0.5204852 4.148310       0.4973765 2.746355       1.663146  
1 1 1 -9  29 16 o 44.43725 0.7249995 19.71263       0.6430310 18.61720       0.8760759 20.99207       0.9468032 -2.665154      1.449999  
1 1 1 -9  29 17 o 67.80038 0.8640606 46.10081       1.171639  45.74919       1.649386  46.45896       1.664614  -0.5216064     1.728121  
1 1 1 -9  29 18 o 54.81507 0.7791636 30.09507       0.8537432 29.38017       1.183980  30.86939       1.232214  -1.353077      1.558327  
1 1 1 -9  29 19 o 69.50053 1.070086  48.62827       1.418986  48.20086       2.391808  48.86040       1.762706  -0.5710144     2.140172  
1 1 1 -9  29 20 o 8.594766 1.489328  0.6725308      0.3708788 -0.7596184     0.6034038 1.542087       0.4701785 -7.554397      2.978656  
1 1 1 -9  29 21 o 69.44736 1.120849  47.88448       1.518205  45.91202       1.925547  51.12547       2.468251  -3.663895      2.241697  
1 1 1 -9  29 22 o 38.23354 0.7282436 14.58171       0.5546156 12.85308       0.7585174 16.56761       0.8130040 -4.851620      1.456487  
1 1 1 -9  29 23 o 32.56010 0.7377107 10.64589       0.4791292 9.748773       0.6772197 11.54497       0.6779629 -2.758194      1.475421  
1 1 1 -9  29 24 o 64.75016 0.8488292 42.06763       1.099058  42.28004       1.570186  41.86361       1.538893  0.3170471      1.697658  
1 1 1 -9  29 25 o 43.48464 0.7442546 18.91181       0.6462107 17.49743       0.8907202 20.48349       0.9389455 -3.427181      1.488509  
1 1 1 -9  29 26 o 24.85770 0.8118136 6.195775       0.4020109 6.239342       0.5964719 6.159511       0.5441784 0.1530991      1.623627  
1 1 1 -9  29 27 o 92.35732 1.080466  85.77144       1.995240  86.88696       2.861676  84.71614       2.783346  1.160217       2.160932  
1 1 1 -9  29 28 o 42.23909 0.7444671 17.89399       0.6283845 16.94520       0.8835455 18.86512       0.8938845 -2.271278      1.488934  
1 1 1 -9  29 29 f 12.97899 1.342831  1.766835       0.3299637 1.488794       0.5026239 1.977417       0.4374196 -2.074117      2.685662  
1 1 1 -9  29 30 f 26.44424 0.8208134 6.908323       0.4300010 7.840428       0.6665842 6.244001       0.5627446 3.001532       1.641627  
1 1 1 -9  29 31 o 30.09378 0.7896034 9.019161       0.4721237 9.673646       0.7185554 8.521975       0.6262826 1.898752       1.579207  
1 1 1 -9  29 32 o 28.46193 0.8175979 8.171341       0.4626095 7.730917       0.6814877 8.547729       0.6299989 -1.444088      1.635196  
1 1 1 -9  29 33 o 79.69537 0.9842088 63.89561       1.568682  63.20153       2.208755  64.60201       2.228276  -0.8743744     1.968418  
1 1 1 -9  29 34 o 36.67614 0.7745985 13.51670       0.5673903 13.17199       0.8178949 13.83649       0.7877747 -0.9111023     1.549197  
1 1 1 -9  29 35 o 39.27156 0.7775589 15.50621       0.6094509 14.37379       0.8626152 16.63484       0.8611741 -2.878994      1.555118  
1 1 1 -9  29 36 o 11.81784 1.540656  1.393984       0.3518637 1.755562       0.5621195 1.161033       0.4511906 2.654198       3.081311  
1 1 1 -9  29 37 o 15.07995 1.285867  2.249560       0.3820632 2.597786       0.6073358 2.021498       0.4915006 1.873698       2.571733  
1 1 1 -9  29 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  30 1  o 24.75402 0.7440914 6.141654       0.3668410 6.909025       0.5265616 5.417962       0.5113557 3.010193       1.488183  
1 1 1 -9  30 2  o 52.23454 0.7543568 27.05315       0.7836163 30.27919       1.186969  24.56087       1.043284  5.458691       1.508714  
1 1 1 -9  30 3  o 46.31662 0.7211698 21.48306       0.6676742 21.13323       0.9261463 21.86161       0.9634244 -0.7825928     1.442340  
1 1 1 -9  30 4  o 48.33535 0.7358159 23.28628       0.7090766 21.86584       0.9574090 25.01200       1.055293  -3.244568      1.471632  
1 1 1 -9  30 5  f 51.34280 0.7524990 26.36627       0.7714748 25.53841       1.055731  27.31491       1.130125  -1.722305      1.504998  
1 1 1 -9  30 6  o 67.15657 0.8574626 45.18213       1.150842  44.04013       1.590898  46.43575       1.666828  -1.774597      1.714925  
1 1 1 -9  30 7  o 54.67228 0.7704170 29.95073       0.8422731 30.59087       1.203646  29.33649       1.179043  1.144547       1.540834  
1 1 1 -9  30 8  o 61.53686 0.8181289 37.85849       1.004916  36.30825       1.369747  39.66551       1.478846  -2.715340      1.636258  
1 1 1 -9  30 9  o 104.2477 1.179644  109.2661       2.459227  108.3962       3.447206  110.1676       3.509372  -0.8392334     2.359288  
1 1 1 -9  30 10 f 31.32695 0.7191680 9.818480       0.4501972 9.308252       0.6233619 10.37475       0.6508794 -1.699379      1.438336  
1 1 1 -9  30 11 o 31.32079 0.7244994 9.767186       0.4521073 11.02630       0.6681960 8.704064       0.6139904 3.701523       1.448999  
1 1 1 -9  30 12 f 42.61832 0.7206958 18.18858       0.6140574 18.86125       0.8815441 17.55456       0.8558426 1.530319       1.441392  
1 1 1 -9  30 13 o 88.37238 1.035812  78.39758       1.829933  76.99660       2.542592  79.90308       2.635754  -1.630348      2.071625  
1 1 1 -9  30 14 o 12.14285 1.369034  1.503331       0.3209228 1.839012       0.4697513 1.209536       0.4394675 2.751934       2.738068  
1 1 1 -9  30 15 o 76.72694 1.143175  58.90256       1.662440  60.09619       2.862020  58.29476       2.042306  1.037209       2.286350  
1 1 1 -9  30 16 f 47.56751 1.004754  22.69119       0.9549789 23.46476       1.387702  21.99526       1.316220  1.533829       2.009507  
1 1 1 -9  30 17 o 23.89752 1.016045  5.723504       0.4824343 5.623847       0.6437992 5.851131       0.7285674 -0.4621296     2.032089  
1 1 1 -9  30 18 f 24.94477 0.8369752 6.253723       0.4167616 5.990517       0.5997622 6.499477       0.5795378 -1.022919      1.673950  
1 1 1 -9  30 19 o 18.90043 0.9577289 3.587991       0.3619719 3.504461       0.5105959 3.672384       0.5132254 -0.4438038     1.915458  
1 1 1 -9  30 20 o 31.86266 0.7337869 10.14973       0.4666983 10.63918       0.6866317 9.729451       0.6362644 1.421144       1.467574  
1 1 1 -9  30 21 o 39.67221 0.7364762 15.78385       0.5832387 14.52571       0.8173915 17.08881       0.8324631 -3.228405      1.472952  
1 1 1 -9  30 22 o 71.73337 0.9027925 51.63834       1.294620  52.53781       1.864782  50.80146       1.798741  1.199760       1.805585  
1 1 1 -9  30 23 o 56.04393 0.7959105 31.44956       0.8908625 32.58472       1.302390  30.45143       1.221259  1.891777       1.591821  
1 1 1 -9  30 24 o 21.03321 0.8811150 4.418148       0.3680024 4.629822       0.5599774 4.257236       0.4882357 0.8742695      1.762230  
1 1 1 -9  30 25 o 15.54372 1.116717  2.461863       0.3407165 2.255534       0.5220037 2.615010       0.4497262 -1.171350      2.233433  
1 1 1 -9  30 26 f 31.77289 0.7657524 10.17859       0.4841520 9.342178       0.7001194 10.94515       0.6702458 -2.527012      1.531505  
1 1 1 -9  30 27 f 42.02283 0.7471712 17.68971       0.6268626 16.26721       0.8702400 19.22386       0.9037443 -3.512924      1.494342  
1 1 1 -9  30 28 o 54.94255 0.8030102 30.30104       0.8821823 30.24620       1.260676  30.35366       1.234911  -0.1020470     1.606020  
1 1 1 -9  30 29 o 50.84692 0.7825517 25.95633       0.7956949 25.50842       1.126880  26.40170       1.123692  -0.8789558     1.565103  
1 1 1 -9  30 30 o 80.89709 0.9898261 65.82893       1.601067  66.53292       2.295082  65.16155       2.234630  0.8343353      1.979652  
1 1 1 -9  30 31 o 21.23241 0.9483106 4.553652       0.3998761 4.341370       0.5936618 4.729956       0.5410178 -0.9261379     1.896621  
1 1 1 -9  30 32 o 55.61159 0.8122386 31.00243       0.9018342 31.98896       1.322299  30.14445       1.233137  1.641655       1.624477  
1 1 1 -9  30 33 o 7.736477 1.853524  0.5741552      0.3388494 0.5190831      0.5359009 0.6108397      0.4373804 -0.1250167     3.707048  
1 1 1 -9  30 34 o 25.80050 0.8724273 6.728387       0.4472181 6.310486       0.6586076 7.085943       0.6092018 -1.513599      1.744855  
1 1 1 -9  30 35 o 34.97273 0.8334430 12.38686       0.5767396 11.50185       0.8624967 13.10263       0.7756623 -2.306156      1.666886  
1 1 1 -9  30 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  31 1  o 34.77309 0.7107774 12.05483       0.4929903 11.18665       0.6686972 13.08857       0.7296737 -2.727917      1.421555  
1 1 1 -9  31 2  f 107.0930 1.211128  115.4333       2.594028  115.1318       3.656571  115.7389       3.680567  -0.2788925     2.422257  
1 1 1 -9  31 3  o 52.38708 0.7694817 27.50831       0.8059778 27.22496       1.123908  27.80829       1.156437  -0.5528450     1.538963  
1 1 1 -9  31 4  f 71.89197 1.147255  52.20824       1.527978  52.58590       1.845635  51.38548       2.724180  0.9889297      2.294509  
1 1 1 -9  31 5  f 73.51103 1.357721  54.47612       1.996004  55.40720       2.833649  53.55920       2.812027  1.252365       2.715442  
1 1 1 -9  31 6  o 73.06131 1.346816  53.81168       1.967676  53.90564       2.759053  53.71443       2.806994  0.1410065      2.693632  
1 1 1 -9  31 7  o 52.60284 0.9880086 27.61059       0.9592307 28.26228       1.739085  27.32563       1.149981  0.7996674      1.976017  
1 1 1 -9  31 8  o 33.46220 0.7330402 11.21651       0.4901195 10.54868       0.6840194 11.92116       0.7026219 -2.048611      1.466080  
1 1 1 -9  31 9  o 19.96524 0.8832977 4.003717       0.3517228 3.630790       0.4937801 4.387818       0.5011235 -1.894814      1.766595  
1 1 1 -9  31 10 o 14.75373 1.244924  2.134620       0.3369609 3.378391       0.5314804 1.298640       0.4357274 7.163442       2.489848  
1 1 1 -9  31 11 o 44.53889 0.9671095 19.92518       0.8614425 19.95329       1.224351  19.89761       1.212266  0.6053925E-01  1.934219  
1 1 1 -9  31 12 o 35.61314 0.9378448 12.67481       0.6661585 11.51151       0.9090039 14.02436       0.9790746 -3.516727      1.875690  
1 1 1 -9  31 13 o 70.95005 1.081830  49.13886       1.417795  46.90048       1.687683  54.50730       2.613654  -5.188156      2.163659  
1 1 1 -9  31 14 o 66.03419 0.8600013 43.69858       1.134847  45.44133       1.646283  42.12061       1.566518  2.502365       1.720003  
1 1 1 -9  31 15 f 47.87245 0.7599971 22.78284       0.7242273 20.91156       0.9687476 25.15380       1.090443  -4.414482      1.519994  
1 1 1 -9  31 16 o 11.52432 2.116682  1.417168       0.5103817 1.902549       0.7086393 0.8940111      0.7356983 3.821828       4.233364  
1 1 1 -9  31 17 f 34.38173 0.7492982 11.79268       0.5138116 10.73372       0.6999370 13.03020       0.7566510 -3.332169      1.498596  
1 1 1 -9  31 18 o 45.72350 0.7553868 20.96059       0.6906648 21.28046       0.9877783 20.65462       0.9660784 0.6814651      1.510774  
1 1 1 -9  31 19 o 59.83692 0.8261232 35.92083       0.9885334 36.55581       1.410947  35.30865       1.385398  1.038319       1.652246  
1 1 1 -9  31 20 o 69.59489 0.8943122 48.54383       1.243389  46.69333       1.709476  50.62252       1.811817  -2.805893      1.788624  
1 1 1 -9  31 21 o 66.92789 0.8696600 44.95973       1.163856  44.02508       1.626594  45.94022       1.665994  -1.424164      1.739320  
1 1 1 -9  31 22 o 22.41943 0.8741099 5.110180       0.3869874 4.350704       0.5617865 5.795992       0.5338473 -3.228067      1.748220  
1 1 1 -9  31 23 f 36.86360 0.7410902 13.36319       0.5401950 15.47581       0.8452052 11.90426       0.7023731 4.823105       1.482180  
1 1 1 -9  31 24 o 5.922237 1.643064  0.1645361      0.3043616 -0.2005272     0.4818307 0.4069159      0.3926074 -1.594556      3.286128  
1 1 1 -9  31 25 o 15.01421 1.139516  2.275301       0.3382238 2.252452       0.5177596 2.292308       0.4467083 -0.1503525     2.279032  
1 1 1 -9  31 26 f 47.23481 0.7680023 22.35388       0.7246399 20.88146       1.003234  23.96005       1.047810  -3.251186      1.536005  
1 1 1 -9  31 27 o 37.07240 0.7639136 13.81992       0.5652087 13.25660       0.8153057 14.34115       0.7842502 -1.467960      1.527827  
1 1 1 -9  31 28 o 28.56505 0.7958593 8.216501       0.4529471 7.862239       0.6612856 8.529595       0.6216756 -1.175228      1.591719  
1 1 1 -9  31 29 o 28.70208 0.8068082 8.270503       0.4608197 8.303698       0.6875502 8.243430       0.6209255 0.9244347E-01  1.613616  
1 1 1 -9  31 30 o 11.30703 1.509048  1.535263       0.3530810 0.2108952      0.5284619 2.603165       0.4745425 -9.532810      3.018097  
1 1 1 -9  31 31 o 30.83837 0.8123848 9.543748       0.4982690 9.656981       0.7469629 9.452970       0.6688136 0.3148327      1.624770  
1 1 1 -9  31 32 o 16.58726 1.179584  2.710570       0.3859027 3.199944       0.6109312 2.385679       0.4977830 2.421880       2.359169  
1 1 1 -9  31 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  32 1  f 23.73269 0.7818293 5.646949       0.3708195 5.583470       0.5133265 5.716228       0.5362611 -0.2765198     1.563659  
1 1 1 -9  32 2  o 74.35847 0.9211962 55.43177       1.368086  53.82641       1.876451  57.25344       1.998878  -2.284439      1.842392  
1 1 1 -9  32 3  f 9.472401 1.563036  0.9296334      0.2945662 0.6570972      0.4000224 1.252476       0.4353790 -2.972994      3.126073  
1 1 1 -9  32 4  o 112.9490 1.271320  128.6028       2.871783  128.2637       4.041972  128.9484       4.080939  -0.2943420     2.542641  
1 1 1 -9  32 5  o 86.78174 1.112944  75.62891       1.910284  76.76730       2.937267  74.79446       2.514772  1.053688       2.225888  
1 1 1 -9  32 6  o 125.4434 1.956413  160.3735       4.908253  160.5906       6.968466  160.1597       6.914486  0.1530685      3.912826  
1 1 1 -9  32 7  o 58.31686 1.074834  34.09464       1.251222  32.45894       1.706148  35.99802       1.840466  -3.008766      2.149667  
1 1 1 -9  32 8  o 92.53258 1.370360  86.52945       2.499810  87.03123       3.276475  85.83049       3.866984  0.7919388      2.740720  
1 1 1 -9  32 9  o 43.42098 0.7495459 18.71116       0.6474272 21.45808       0.9716308 16.51761       0.8682646 5.675232       1.499092  
1 1 1 -9  32 10 o 36.31850 0.7345214 13.22850       0.5334461 13.38491       0.7506369 13.06890       0.7582340 0.4360504      1.469043  
1 1 1 -9  32 11 o 18.35125 1.044971  3.449858       0.3576037 5.163544       0.5263102 1.980277       0.4873859 8.666281       2.089941  
1 1 1 -9  32 12 o 31.16917 1.035888  9.746731       0.5663059 9.722416       0.6580118 9.816184       1.112088  -0.6684113E-01 2.071777  
1 1 1 -9  32 13 o 74.25638 1.244804  54.78857       1.767272  52.95010       2.181322  58.30068       3.014915  -3.410599      2.489607  
1 1 1 -9  32 14 f 35.92044 1.160661  13.00366       0.8311178 14.38294       1.187434  11.67901       1.163682  3.758556       2.321321  
1 1 1 -9  32 15 f 52.86898 1.179349  28.17416       1.246508  29.02243       1.759631  27.31970       1.766043  1.611794       2.358698  
1 1 1 -9  32 16 o 64.24899 1.276173  41.51641       1.637120  44.55389       2.395286  38.85356       2.242714  4.397659       2.552346  
1 1 1 -9  32 17 o 31.22629 1.209030  9.831558       0.7549026 9.809650       1.078331  9.852614       1.057170  -0.7389259E-01 2.418059  
1 1 1 -9  32 18 o 35.77426 0.9737044 12.01225       0.6332510 14.94082       1.227836  10.95098       0.7391387 5.481155       1.947409  
1 1 1 -9  32 19 o 52.69312 0.9852542 28.15203       0.9784194 27.22572       1.680730  28.62686       1.203336  -1.424656      1.970508  
1 1 1 -9  32 20 o 45.76231 0.7559649 21.00732       0.6911352 21.17889       1.002971  20.85218       0.9537141 0.3488960      1.511930  
1 1 1 -9  32 21 o 28.37231 0.7953260 8.108509       0.4487457 7.804607       0.6638277 8.364251       0.6089607 -0.9959793     1.590652  
1 1 1 -9  32 22 o 13.57257 1.221306  1.781350       0.3244109 2.300142       0.5273623 1.465509       0.4114780 3.043311       2.442612  
1 1 1 -9  32 23 o 58.59862 0.8211498 34.47483       0.9621577 33.48047       1.350571  35.49958       1.371054  -1.719124      1.642300  
1 1 1 -9  32 24 o 19.60883 0.9800855 3.894901       0.3806685 3.647865       0.5684508 4.095754       0.5125688 -1.154373      1.960171  
1 1 1 -9  32 25 o 88.24054 1.053780  78.42790       1.859656  77.74436       2.616728  79.12546       2.643376  -0.7760315     2.107560  
1 1 1 -9  32 26 o 49.33412 0.7885098 24.44501       0.7774363 24.37561       1.120296  24.50948       1.079747  -0.1434402     1.577020  
1 1 1 -9  32 27 f 17.25385 1.104732  2.877447       0.3696568 4.122665       0.5870168 2.059171       0.4758582 5.949249       2.209463  
1 1 1 -9  32 28 o 56.18934 0.8266246 31.72736       0.9288114 31.36889       1.319930  32.07896       1.307237  -0.6344376     1.653249  
1 1 1 -9  32 29 o 38.95475 1.091897  15.06234       0.8370355 16.59706       1.330758  14.05768       1.076694  3.191254       2.183793  
1 1 1 -9  32 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  33 1  o 79.18714 1.308566  63.29839       2.072082  64.10426       2.963654  62.52774       2.898175  0.9783020      2.617131  
1 1 1 -9  33 2  o 49.81736 0.9738069 24.95016       0.9702389 24.79857       1.368726  25.10325       1.375549  -0.3044624     1.947614  
1 1 1 -9  33 3  o 81.38560 1.182593  66.47495       1.834083  65.82915       2.267279  67.69768       3.119734  -0.9487686     2.365185  
1 1 1 -9  33 4  f 57.51804 0.8092370 33.20372       0.9307825 33.09890       1.304464  33.31246       1.328516  -0.1817627     1.618474  
1 1 1 -9  33 5  o 62.42960 0.8407270 39.03560       1.048355  41.04393       1.530910  37.26219       1.438588  3.013302       1.681454  
1 1 1 -9  33 6  o 27.43891 0.7747107 7.545846       0.4248914 7.293938       0.5887733 7.819608       0.6137809 -0.9540176     1.549421  
1 1 1 -9  33 7  o 61.06426 0.8292518 37.39188       1.012105  38.60368       1.463699  36.28164       1.401024  1.890903       1.658504  
1 1 1 -9  33 8  o 55.08487 0.7962938 30.30388       0.8747444 28.54894       1.183351  32.41813       1.298852  -3.493546      1.592588  
1 1 1 -9  33 9  o 29.85466 0.7604256 8.923719       0.4533254 9.662348       0.6564510 8.250361       0.6267759 2.360212       1.520851  
1 1 1 -9  33 10 o 38.55706 0.7439362 14.85836       0.5723716 13.57041       0.7849225 16.32093       0.8364430 -3.558987      1.487872  
1 1 1 -9  33 11 o 15.85284 1.482815  2.416505       0.4289841 2.246713       0.5037271 2.864716       0.8184223 -1.852536      2.965630  
1 1 1 -9  33 12 o 8.749387 1.707091  0.7924985      0.3170030 1.053419       0.4539538 0.5441623      0.4428714 2.477732       3.414182  
1 1 1 -9  33 13 o 16.30173 1.080823  2.686927       0.3510143 2.481885       0.5048692 2.878778       0.4883607 -1.221234      2.161645  
1 1 1 -9  33 14 o 51.10981 0.7823153 26.19250       0.7991511 25.39050       1.105859  27.06910       1.156159  -1.633366      1.564631  
1 1 1 -9  33 15 o 27.36200 0.8088378 7.519274       0.4424320 7.574955       0.6178910 7.460689       0.6337990 0.2116776      1.617676  
1 1 1 -9  33 16 f 17.69355 1.061400  3.153625       0.3750547 2.938705       0.5270703 3.374077       0.5338089 -1.228733      2.122799  
1 1 1 -9  33 17 f 41.44920 0.7626795 17.23882       0.6321348 17.05022       0.8839193 17.43624       0.9043790 -0.4622192     1.525359  
1 1 1 -9  33 18 o 38.67750 0.7679950 15.01288       0.5939366 15.48434       0.8453135 14.55318       0.8346933 1.201931       1.535990  
1 1 1 -9  33 19 o 41.28192 0.7691376 17.06867       0.6342968 18.15789       0.9213229 16.08719       0.8745647 2.499805       1.538275  
1 1 1 -9  33 20 o 46.27671 0.7602392 21.49850       0.7034209 20.83751       0.9922144 22.16640       0.9973805 -1.434898      1.520478  
1 1 1 -9  33 21 o 14.81492 1.356236  2.482044       0.3464647 1.270305       0.5119169 3.506219       0.4706326 -7.719404      2.712473  
1 1 1 -9  33 22 o 38.46960 0.7671752 14.81395       0.5885171 13.29337       0.8099456 16.51472       0.8565897 -4.177963      1.534350  
1 1 1 -9  33 23 o 33.56801 0.7821936 11.33072       0.5223292 9.864604       0.7299956 12.86878       0.7476921 -4.471294      1.564387  
1 1 1 -9  33 24 o 34.92806 0.7765467 12.22726       0.5409254 12.54910       0.7998515 11.95600       0.7343118 0.8365555      1.553093  
1 1 1 -9  33 25 o 53.89372 1.115499  29.25719       1.198887  29.79802       1.770874  28.79956       1.628967  0.8874321      2.230999  
1 1 1 -9  33 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  34 1  f 44.59032 0.7438484 19.94581       0.6630917 19.73910       0.9225578 20.16672       0.9537252 -0.4743347     1.487697  
1 1 1 -9  34 2  o 7.971926 1.672217  0.6492202      0.2913040 0.4786441      0.4106289 0.8220362      0.4133163 -1.717921      3.344435  
1 1 1 -9  34 3  o 57.96288 0.8143743 33.73488       0.9440323 33.52092       1.327897  33.95353       1.342347  -0.3705635     1.628749  
1 1 1 -9  34 4  o 18.10716 0.9741485 3.296145       0.3526657 3.213271       0.4912328 3.384290       0.5066120 -0.4689159     1.948297  
1 1 1 -9  34 5  o 42.85526 0.7469260 18.42110       0.6400326 18.85681       0.9176090 18.00828       0.8931713 0.9859428      1.493852  
1 1 1 -9  34 6  f 50.35669 0.7777387 25.34855       0.7813903 23.96763       1.060847  26.98628       1.155289  -2.980911      1.555477  
1 1 1 -9  34 7  o 22.53669 1.231205  4.749154       0.4806246 5.903514       1.007629  4.409167       0.5468410 3.189919       2.462409  
1 1 1 -9  34 8  o 37.71604 0.8352818 14.07062       0.6171874 13.27605       0.7872532 15.33782       0.9941947 -2.694515      1.670564  
1 1 1 -9  34 9  o 114.6177 1.295592  132.6132       2.966958  129.2533       4.086929  136.3570       4.314106  -3.032356      2.591183  
1 1 1 -9  34 10 o 39.01894 0.7557347 15.27671       0.5896805 14.98274       0.8263401 15.58174       0.8417416 -0.7649269     1.511469  
1 1 1 -9  34 11 o 67.44950 0.8816634 45.71088       1.189053  45.16648       1.659383  46.28541       1.704680  -0.8202820     1.763327  
1 1 1 -9  34 12 f 47.19434 0.7654056 22.33299       0.7220379 23.26883       1.041491  21.46696       1.001891  1.901955       1.530811  
1 1 1 -9  34 13 o 36.18507 0.7558526 13.04226       0.5448988 11.86904       0.7339733 14.48288       0.8133286 -3.597622      1.511705  
1 1 1 -9  34 14 o 26.92677 0.8217746 7.281900       0.4424658 7.080360       0.6207197 7.490095       0.6308866 -0.7588234     1.643549  
1 1 1 -9  34 15 o 41.27442 0.7632552 17.07582       0.6295221 16.28798       0.8699645 17.94181       0.9120859 -1.995533      1.526510  
1 1 1 -9  34 16 o 30.25025 0.8026387 9.160979       0.4846873 8.467602       0.6648452 9.947513       0.7081006 -2.437387      1.605277  
1 1 1 -9  34 17 o 6.395776 1.757801  0.2365698      0.3289865 0.6493566E-01  0.4533527 0.4274946      0.4781515 -1.431030      3.515603  
1 1 1 -9  34 18 o 33.00877 0.8008951 10.70528       0.5209181 8.489294       0.6866223 13.71046       0.7995945 -7.886505      1.601790  
1 1 1 -9  34 19 o 74.99198 0.9567679 56.55819       1.434345  55.49426       1.992357  57.70292       2.066620  -1.455261      1.913536  
1 1 1 -9  34 20 o 38.71828 1.036750  15.15844       0.7995643 14.29256       1.162408  15.93603       1.101554  -2.137859      2.073500  
1 1 1 -9  34 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -9  35 1  o 21.21452 2.851403  4.831769       1.157003  4.827465       1.485299  4.838411       1.845118  0.6291790      5.702806  
1 1 1 -9  35 2  o 11.57755 2.379618  1.374632       0.6366414 2.153877       0.8894268 0.5559070      0.9116796 5.156930       4.759236  
1 1 1 -9  35 3  o 36.54922 1.041699  13.55423       0.6760095 13.25328       1.292217  13.66762       0.7932083 -0.6916733     2.083397  
1 1 1 -9  35 4  o 20.50770 1.410891  4.228785       0.5460420 4.157986       0.6670901 4.372536       0.9505554 -0.4250183     2.821782  
1 1 1 -9  35 5  o 52.68157 0.7918434 27.78849       0.8328574 26.41363       1.137577  29.37682       1.222701  -2.795647      1.583687  
1 1 1 -9  35 6  o 66.94374 0.8810207 44.98161       1.178545  47.00868       1.710232  43.14850       1.626358  2.864891       1.762041  
1 1 1 -9  35 7  o 56.90846 0.8132331 32.37746       0.9226903 30.63932       1.246023  34.48776       1.372954  -3.355824      1.626466  
1 1 1 -9  35 8  o 6.987841 1.765542  0.4101985      0.3180997 0.5870187      0.4565496 0.2433737      0.4434579 1.488329       3.531084  
1 1 1 -9  35 9  o 22.94743 0.8865835 5.301689       0.4061493 4.946333       0.5755303 5.654222       0.5732402 -1.542910      1.773167  
1 1 1 -9  35 10 o 45.23363 0.8165018 20.47824       0.7342792 17.54027       1.007481  23.80712       1.072414  -6.914326      1.633004  
1 1 1 -9  35 11 o 38.16264 0.9753239 14.64589       0.7440097 14.01367       1.035528  15.32049       1.069680  -1.704014      1.950648  
1 1 1 -9  35 12 o 11.34518 1.898826  1.360972       0.4236709 1.519311       0.6283631 1.228990       0.5736853 1.203812       3.797652  
1 1 1 -9  35 13 f 30.45037 1.466630  0.000000       0.000000  ?              ?         9.343018       0.8931888 ?              ?         
1 1 1 -9  35 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  0  1  f 578.1589 8.502854  3331.704       97.60835  3564.424       148.2906  3153.796       129.6565  -0.000000      0.000000  
1 1 1 -8  0  2  o 550.9829 8.110816  3031.714       88.90067  3208.533       133.4069  2890.472       119.2328  -0.000000      0.000000  
1 1 1 -8  0  3  f 104.0545 1.589045  108.4274       3.303322  107.7296       4.641747  109.1434       4.702042  -0.000000      0.000000  
1 1 1 -8  0  4  o 41.08643 0.7729868 16.90927       0.6340334 16.55132       0.8848348 17.28702       0.9089693 -0.000000      0.000000  
1 1 1 -8  0  5  o 496.4780 7.302264  2473.094       72.43832  2469.220       102.3641  2476.980       102.5226  -0.000000      0.000000  
1 1 1 -8  0  6  o 538.6938 7.921500  2903.790       85.04978  3027.694       125.7097  2799.203       115.4956  -0.000000      0.000000  
1 1 1 -8  0  7  o 136.5168 2.052837  186.6458       5.599244  187.2173       7.938279  186.0799       7.898922  -0.000000      0.000000  
1 1 1 -8  0  8  o 642.1465 9.446341  4140.395       121.1945  4164.434       172.5184  4116.972       170.2931  -0.000000      0.000000  
1 1 1 -8  0  9  o 73.39709 1.174430  53.69539       1.716210  50.96080       2.314215  57.03717       2.558270  -0.000000      0.000000  
1 1 1 -8  0  10 o 207.6529 3.083249  431.6897       12.78764  438.5565       18.38575  425.2552       17.79752  -0.000000      0.000000  
1 1 1 -8  0  11 o 645.3519 9.500969  4173.102       122.3337  4059.114       167.7072  4302.727       178.8410  -0.000000      0.000000  
1 1 1 -8  0  12 o 131.0820 1.975227  171.6468       5.162262  178.4094       7.601047  165.8570       7.033073  -0.000000      0.000000  
1 1 1 -8  0  13 o 618.9535 9.096316  3842.227       112.4418  3781.760       156.1670  3907.318       162.0284  -0.000000      0.000000  
1 1 1 -8  0  14 o 95.02051 1.490803  90.41238       2.829408  91.11588       4.050550  89.74205       3.953974  -0.000000      0.000000  
1 1 1 -8  0  15 o 532.8959 11.14029  2700.001       112.7288  2388.093       136.5344  3367.978       199.8060  -0.000000      0.000000  
1 1 1 -8  0  16 o 17.30321 1.255824  3.091023       0.4241742 2.739626       0.5931779 3.458746       0.6067998 -0.000000      0.000000  
1 1 1 -8  0  17 o 206.0548 3.053942  425.0360       12.56772  432.3968       18.09876  418.1818       17.46505  -0.000000      0.000000  
1 1 1 -8  0  18 o 187.0273 2.779677  350.3376       10.38724  349.7232       14.66374  350.9564       14.71595  -0.000000      0.000000  
1 1 1 -8  0  19 o 425.7122 6.256830  1816.814       53.21395  1833.199       75.99335  1801.050       74.53950  -0.000000      0.000000  
1 1 1 -8  0  20 o 54.62792 1.164640  30.14701       1.211924  30.69000       1.511686  29.17017       2.027573  -0.000000      0.000000  
1 1 1 -8  0  21 o 367.7745 5.409731  1355.754       39.74650  1342.863       55.61852  1369.209       56.82086  -0.000000      0.000000  
1 1 1 -8  0  22 o 198.9996 2.958020  396.5086       11.75627  402.8508       16.92364  390.5939       16.34330  -0.000000      0.000000  
1 1 1 -8  0  23 o 61.78493 1.063678  38.22617       1.312234  37.57432       1.827756  38.91959       1.885130  -0.000000      0.000000  
1 1 1 -8  0  24 o 233.1859 3.451437  544.7643       16.07792  550.8261       23.00116  538.9725       22.48293  -0.000000      0.000000  
1 1 1 -8  0  25 o 278.5418 4.112045  777.7448       22.88341  772.5280       32.11748  783.1235       32.61224  -0.000000      0.000000  
1 1 1 -8  0  26 o 465.1844 6.852382  2173.854       63.65909  2138.660       88.38097  2211.800       91.76971  -0.000000      0.000000  
1 1 1 -8  0  27 o 117.8170 1.804754  139.0091       4.247239  140.7519       6.083648  137.3521       5.932220  -0.000000      0.000000  
1 1 1 -8  0  28 o 49.44623 0.9256196 24.50218       0.9139193 24.59805       1.298545  24.40808       1.286493  -0.000000      0.000000  
1 1 1 -8  0  29 o 102.7626 1.595750  105.7831       3.276082  105.9899       4.649846  105.5793       4.616493  -0.000000      0.000000  
1 1 1 -8  0  30 o 152.9274 2.301714  234.3193       7.032709  233.6714       9.915232  234.9751       9.976557  -0.000000      0.000000  
1 1 1 -8  0  31 o 79.42970 1.297177  63.19804       2.058136  62.45198       2.893670  63.96186       2.927920  -0.000000      0.000000  
1 1 1 -8  0  32 o 208.8690 3.106453  437.3659       12.96338  439.6878       18.44443  435.0992       18.22354  -0.000000      0.000000  
1 1 1 -8  0  33 o 28.93942 0.8858149 8.411412       0.5102432 8.851072       0.7363390 8.005288       0.7076985 -0.000000      0.000000  
1 1 1 -8  0  34 o 265.4592 3.931777  707.2803       20.85320  710.2973       29.65438  704.3287       29.33006  -0.000000      0.000000  
1 1 1 -8  0  35 f 80.50121 1.316189  64.90652       2.115930  65.73154       3.037264  64.12852       2.949423  -0.000000      0.000000  
1 1 1 -8  0  36 o 35.57991 0.8981287 12.70027       0.6370860 13.13145       0.9152024 12.29490       0.8873923 -0.000000      0.000000  
1 1 1 -8  0  37 o 246.2125 3.656180  608.8284       17.98511  605.1653       25.26455  612.5920       25.60849  -0.000000      0.000000  
1 1 1 -8  0  38 o 123.7590 1.901209  153.5329       4.700863  153.8348       6.661977  153.2334       6.634158  -0.000000      0.000000  
1 1 1 -8  0  39 o 65.63918 1.680629  43.18969       2.203097  43.18969       2.203097  43.18969       2.203097  -0.000000      0.000000  
1 1 1 -8  0  40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  0  41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  0  42 o 93.48049 3.020127  87.86713       5.633512  87.86713       5.633512  87.86713       5.633512  -0.000000      0.000000  
1 1 1 -8  0  43 o 198.9117 3.645802  403.1070       13.85111  387.9396       23.01347  411.7220       17.34436  -0.000000      0.000000  
1 1 1 -8  0  44 o 45.30302 0.9822474 20.59840       0.8879724 20.25199       1.259701  20.94054       1.251901  -0.000000      0.000000  
1 1 1 -8  0  45 o 26.29590 0.9944559 7.007458       0.5170953 6.260229       0.7354825 7.737861       0.7271550 -0.000000      0.000000  
1 1 1 -8  0  46 o 14.66405 1.460564  2.261784       0.4108285 2.417616       0.5807900 2.105727       0.5812086 -0.000000      0.000000  
1 1 1 -8  0  47 o 98.02357 1.569304  96.38258       3.070955  98.44878       4.442657  94.49191       4.249735  -0.000000      0.000000  
1 1 1 -8  0  48 o 31.03913 1.003858  9.695161       0.6200781 9.334901       0.8623866 10.08078       0.8922200 -0.000000      0.000000  
1 1 1 -8  0  49 o 7.581755 2.429817  0.8397745      0.3945452 0.8330870      0.5476694 0.8469900      0.5688770 -0.000000      0.000000  
1 1 1 -8  0  50 o 34.54666 1.002363  11.99834       0.6895412 11.39186       0.9597979 12.64526       0.9912810 -0.000000      0.000000  
1 1 1 -8  0  51 o 40.27635 1.030559  16.31350       0.8276097 16.00097       1.172855  16.62345       1.167993  -0.000000      0.000000  
1 1 1 -8  0  52 o 42.84787 1.024713  18.42936       0.8753421 19.10550       1.266486  17.81095       1.211205  -0.000000      0.000000  
1 1 1 -8  0  53 f 12.29146 2.090386  1.804205       0.4515657 2.694452       0.6679149 1.054690       0.6128526 -0.000000      0.000000  
1 1 1 -8  0  54 o 21.78937 1.228451  4.852196       0.5285291 4.787291       0.7528403 4.915276       0.7421799 -0.000000      0.000000  
1 1 1 -8  0  55 o 36.55211 1.039131  13.40216       0.7546160 14.08115       1.121796  12.84097       1.019850  -0.000000      0.000000  
1 1 1 -8  0  56 o 5.982691 2.416733  0.4793083      0.4478839 0.5046912      0.6365303 0.4544181      0.6303223 -0.000000      0.000000  
1 1 1 -8  0  57 o 12.53969 2.296192  1.870157       0.4965451 1.866584       0.6929043 1.873928       0.7119236 -0.000000      0.000000  
1 1 1 -8  0  58 o 16.49428 2.892506  3.947386       0.6952243 2.163242       1.403985  4.526980       0.8002207 -0.000000      0.000000  
1 1 1 -8  0  59 o 4.318397 3.083951  -1.300311      1.083986  -1.300311      1.083986  -1.300311      1.083986  -0.000000      0.000000  
1 1 1 -8  0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  0  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  1  1  o 259.0218 2.696933  671.1071       13.96821  678.8471       20.00593  663.7451       19.51143  2.911804       5.393866  
1 1 1 -8  1  2  o 452.1318 4.705499  2046.944       42.53505  2071.437       61.11149  2023.930       59.23946  5.230408       9.410997  
1 1 1 -8  1  3  o 283.9309 2.953827  805.0955       16.74363  832.2717       24.56983  781.5316       22.87866  8.921875       5.907654  
1 1 1 -8  1  4  o 246.7491 2.576948  608.7773       12.70997  598.5506       17.62502  619.8577       18.34588  -4.312561      5.153895  
1 1 1 -8  1  5  o 209.6273 2.189368  439.5227       9.177773  443.5760       13.10938  435.6263       12.85308  1.894714       4.378736  
1 1 1 -8  1  6  o 185.9470 1.948790  345.7055       7.244799  340.5865       10.08400  351.1665       10.41543  -2.843246      3.897580  
1 1 1 -8  1  7  o 324.9486 3.378693  1047.227       21.78838  985.4070       28.75722  1130.544       33.38490  -22.29504      6.757385  
1 1 1 -8  1  8  o 156.6882 1.652220  245.3600       5.174309  250.6708       7.481149  240.4897       7.164285  3.247681       3.304441  
1 1 1 -8  1  9  o 467.3887 4.861294  2178.695       45.28770  2087.241       61.10285  2290.172       67.46112  -21.64542      9.722589  
1 1 1 -8  1  10 o 224.6906 2.356868  504.2126       10.57678  490.7114       14.51063  519.5165       15.44908  -6.405701      4.713736  
1 1 1 -8  1  11 o 570.7013 6.555337  3029.189       68.27778  3846.166       131.9538  2730.472       79.78974  97.11768       13.11067  
1 1 1 -8  1  12 o 498.3899 5.179344  2474.619       51.39808  2360.696       68.92265  2617.350       77.14629  -25.67059      10.35869  
1 1 1 -8  1  13 o 299.2658 3.112318  896.0554       18.62819  896.8232       26.36742  895.2903       26.32111  0.2558594      6.224637  
1 1 1 -8  1  14 o 176.3406 1.852422  311.0130       6.533034  310.1953       9.207753  311.8418       9.270778  -0.4666290     3.704844  
1 1 1 -8  1  15 o 334.7297 4.512923  1110.589       29.16723  1163.693       48.49891  1080.499       36.50703  12.32153       9.025846  
1 1 1 -8  1  16 o 521.2936 6.271031  2709.533       65.11482  2578.538       87.46453  2872.406       97.52769  -28.06091      12.54206  
1 1 1 -8  1  17 o 117.6038 1.265758  137.7265       2.966589  131.7312       3.998380  145.0685       4.424722  -5.669319      2.531517  
1 1 1 -8  1  18 f 327.8005 3.405161  1073.869       22.29762  1103.426       32.49371  1047.564       30.65387  8.506866       6.810323  
1 1 1 -8  1  19 f 272.3392 2.836417  741.8022       15.44403  752.8838       22.19242  731.3953       21.50606  3.940399       5.672833  
1 1 1 -8  1  20 o 222.2614 2.322065  493.7614       10.31413  504.9414       14.94174  483.5851       14.25524  4.799988       4.644131  
1 1 1 -8  1  21 o 163.3328 1.722181  266.4199       5.618226  259.1672       7.709895  274.6316       8.203830  -4.731461      3.444363  
1 1 1 -8  1  22 o 236.0230 2.463966  556.8228       11.62083  544.5557       16.03709  570.3854       16.86264  -5.464905      4.927932  
1 1 1 -8  1  23 o 346.9371 3.606289  1205.371       25.02257  1201.150       35.24899  1209.659       35.52716  -1.222321      7.212577  
1 1 1 -8  1  24 o 75.16756 0.8623067 56.21698       1.291556  59.77623       1.929903  53.32978       1.738178  4.287292       1.724613  
1 1 1 -8  1  25 f 275.8125 2.873877  761.3738       15.84805  751.5828       22.08534  771.7672       22.75471  -3.649139      5.747755  
1 1 1 -8  1  26 o 311.2911 3.239920  970.3221       20.16451  956.8409       28.08814  984.6589       28.96595  -4.451569      6.479840  
1 1 1 -8  1  27 o 160.4670 1.697267  257.5863       5.446170  260.3578       7.789204  254.9355       7.617752  1.687561       3.394533  
1 1 1 -8  1  28 o 54.05424 0.6879362 29.21648       0.7436298 29.54820       1.061648  28.89696       1.041932  0.6022987      1.375872  
1 1 1 -8  1  29 o 223.2605 2.336727  498.9095       10.43122  492.6574       14.55288  505.5157       14.95946  -2.872086      4.673454  
1 1 1 -8  1  30 o 227.2246 2.378510  516.8834       10.80777  521.5692       15.43150  512.3720       15.14161  2.018387       4.757021  
1 1 1 -8  1  31 o 132.8495 1.423838  176.3045       3.778448  171.4001       5.190482  181.8333       5.510971  -3.922714      2.847676  
1 1 1 -8  1  32 o 260.7398 2.722969  681.1049       14.19844  686.1086       20.24274  676.2593       19.92040  1.880585       5.445937  
1 1 1 -8  1  33 o 163.7022 1.734217  266.9237       5.654973  254.7527       7.599169  282.0277       8.465462  -8.315338      3.468434  
1 1 1 -8  1  34 o 71.06386 0.8436056 50.50723       1.198928  50.94157       1.706824  50.08419       1.684477  0.6030350      1.687211  
1 1 1 -8  1  35 f 126.9289 1.661999  163.1929       4.061954  153.8780       6.619183  168.8197       5.144532  -5.915359      3.323997  
1 1 1 -8  1  36 o 215.6732 3.208549  467.1298       13.83991  467.7306       19.60291  466.5327       19.54241  0.2748871      6.417098  
1 1 1 -8  1  37 o 71.97787 1.218922  51.56571       1.747721  54.85860       2.616880  48.91429       2.348195  4.123901       2.437843  
1 1 1 -8  1  38 o 156.8507 2.365876  246.7850       7.421475  245.4451       10.43803  248.1548       10.55403  -0.8583221     4.731753  
1 1 1 -8  1  39 f 70.32879 1.042969  48.56173       1.353620  47.14241       1.615258  51.90970       2.480802  -3.368408      2.085938  
1 1 1 -8  1  40 o 85.90450 0.9851035 73.83855       1.692201  73.10340       2.366863  74.60727       2.420299  -0.8738098     1.970207  
1 1 1 -8  1  41 o 75.60149 0.8952785 57.19367       1.353607  57.66596       1.927187  56.73381       1.901648  0.6157379      1.790557  
1 1 1 -8  1  42 o 84.46957 1.200085  70.71796       1.885063  69.48143       2.269799  73.46667       3.384180  -2.309738      2.400170  
1 1 1 -8  1  43 o 85.54121 1.394155  73.17769       2.381251  76.31384       3.491393  70.45000       3.256101  3.412849       2.788311  
1 1 1 -8  1  44 f 44.90564 0.9739839 20.05323       0.8712206 18.70269       1.169598  21.73665       1.305809  -3.371780      1.947968  
1 1 1 -8  1  45 o 37.57182 0.9505316 14.11501       0.7130092 13.80883       0.9754909 14.46622       1.044764  -0.8713379     1.901063  
1 1 1 -8  1  46 o 53.12814 0.9043708 27.72548       0.8927936 29.70782       1.616517  26.85540       1.070946  2.656593       1.808742  
1 1 1 -8  1  47 o 64.71758 0.8220645 41.89817       1.063384  40.84418       1.472585  43.04668       1.537201  -1.697998      1.644129  
1 1 1 -8  1  48 o 73.50752 0.8948650 54.10413       1.315365  53.24124       1.839708  55.00657       1.881407  -1.198143      1.789730  
1 1 1 -8  1  49 o 33.99440 0.6958947 11.48922       0.4709098 13.17960       0.6962095 10.06367       0.6393517 4.579752       1.391789  
1 1 1 -8  1  50 o 20.39660 0.8440146 4.155824       0.3435295 4.568929       0.4995910 3.785310       0.4731359 1.918903       1.688029  
1 1 1 -8  1  51 o 25.83595 0.7658526 6.654525       0.3941946 7.541730       0.5779275 5.882667       0.5390514 3.207664       1.531705  
1 1 1 -8  1  52 o 39.47089 0.7212122 15.45757       0.5665756 17.58248       0.8482033 13.74562       0.7613351 4.853371       1.442424  
1 1 1 -8  1  53 o 16.87456 1.033321  2.910251       0.3379331 2.075695       0.4751568 3.764432       0.4807107 -5.003108      2.066642  
1 1 1 -8  1  54 f 22.64365 0.8644270 5.134038       0.3879794 4.252139       0.5345439 6.115854       0.5640127 -4.111910      1.728854  
1 1 1 -8  1  55 o 35.86693 0.7504411 12.83757       0.5368672 11.62708       0.7346210 14.22515       0.7865235 -3.616299      1.500882  
1 1 1 -8  1  56 o 35.58011 0.7587454 12.68789       0.5398740 12.46273       0.7581579 12.91951       0.7689506 -0.6406937     1.517491  
1 1 1 -8  1  57 o 31.48490 0.8024568 9.948681       0.5050445 9.637657       0.7170489 10.25488       0.7114654 -0.9809551     1.604914  
1 1 1 -8  1  58 f 21.13228 1.164104  4.437901       0.4642268 4.670638       0.8121203 4.324945       0.5657740 0.7677727      2.328208  
1 1 1 -8  1  59 o 18.06106 2.498945  3.472065       0.8696068 3.188045       1.205243  3.780483       1.255943  -1.616255      4.997891  
1 1 1 -8  1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  1  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  2  1  o 419.8538 4.373837  1763.532       36.70438  1805.265       53.05888  1725.234       50.82860  9.507813       8.747674  
1 1 1 -8  2  2  f 282.8699 2.948243  796.3516       16.59641  841.7731       24.99315  760.5259       22.19666  14.34113       5.896485  
1 1 1 -8  2  3  o 469.0240 4.885215  2180.327       45.39885  2045.063       59.55942  2367.901       70.13692  -34.28778      9.770430  
1 1 1 -8  2  4  o 278.9335 2.901896  776.7459       16.15704  805.1888       23.75358  752.2556       22.04137  9.476227       5.803793  
1 1 1 -8  2  5  o 292.6150 3.041163  855.4695       17.77467  832.6902       24.40394  881.2084       25.94074  -8.279144      6.082327  
1 1 1 -8  2  6  o 146.4283 1.547493  214.3557       4.530326  217.6759       6.511692  211.2410       6.306913  2.196548       3.094986  
1 1 1 -8  2  7  o 471.1383 4.901249  2222.662       46.17672  2244.743       65.97680  2201.460       64.65089  4.579102       9.802498  
1 1 1 -8  2  8  o 449.1421 4.691624  2013.475       42.00447  2095.186       62.45659  1945.994       56.75803  16.55298       9.383248  
1 1 1 -8  2  9  o 696.5532 7.251770  4851.797       100.7459  4687.162       136.5982  5048.171       149.1848  -25.73541      14.50354  
1 1 1 -8  2  10 o 308.3283 3.211828  950.1900       19.78468  971.4557       28.77365  931.1193       27.24815  6.532013       6.423656  
1 1 1 -8  2  11 o 580.7432 6.033937  3378.024       70.05786  3411.990       100.6456  3346.097       97.57908  5.639465       12.06787  
1 1 1 -8  2  12 f 376.9619 3.912457  1422.003       29.49465  1431.967       42.02605  1412.331       41.40438  2.600128       7.824914  
1 1 1 -8  2  13 o 163.3708 1.720863  266.4983       5.614958  274.9717       8.204245  259.0322       7.701116  4.876678       3.441726  
1 1 1 -8  2  14 o 452.1627 6.645418  2046.650       60.03098  1992.520       82.61021  2107.215       87.38403  -12.62143      13.29084  
1 1 1 -8  2  15 f 182.1097 1.914031  331.5985       6.969473  327.1898       9.724062  336.2556       9.994133  -2.488083      3.828062  
1 1 1 -8  2  16 o 348.0477 5.115222  1207.626       35.46453  1155.168       47.67892  1272.594       53.06041  -16.81406      10.23044  
1 1 1 -8  2  17 o 439.1177 4.554501  1930.555       39.99794  1937.864       56.83562  1923.382       56.29945  1.643890       9.109002  
1 1 1 -8  2  18 o 432.8945 4.509245  1837.681       38.37178  1681.490       49.12533  2082.099       61.45322  -46.14398      9.018491  
1 1 1 -8  2  19 o 424.4768 4.405739  1797.982       37.28794  1728.762       50.43122  1881.460       55.38202  -17.93161      8.811478  
1 1 1 -8  2  20 o 211.7385 2.215788  447.7668       9.369990  461.6799       13.69490  435.5215       12.84795  6.171844       4.431576  
1 1 1 -8  2  21 o 183.8550 1.931605  338.0249       7.100711  342.6259       10.18745  333.6779       9.902456  2.431732       3.863210  
1 1 1 -8  2  22 o 343.1790 3.566637  1177.651       24.45223  1210.517       35.60824  1148.323       33.63721  9.036560       7.133274  
1 1 1 -8  2  23 o 380.7584 3.955623  1448.269       30.04888  1397.307       40.82352  1508.528       44.39138  -14.54764      7.911245  
1 1 1 -8  2  24 f 156.7451 1.658011  245.7580       5.197309  244.1144       7.296805  247.4505       7.404592  -1.063354      3.316021  
1 1 1 -8  2  25 o 188.1443 1.976402  353.8487       7.430984  362.2594       10.77131  346.2101       10.26497  4.259903       3.952804  
1 1 1 -8  2  26 o 132.9203 1.420523  176.7360       3.776272  177.1838       5.357423  176.2937       5.323647  0.3345337      2.841045  
1 1 1 -8  2  27 o 174.7565 1.841328  305.2892       6.430098  298.5092       8.874821  312.7813       9.329252  -4.077545      3.682657  
1 1 1 -8  2  28 o 145.4314 1.545803  211.6008       4.495864  212.9223       6.402514  210.3155       6.314622  0.8951263      3.091605  
1 1 1 -8  2  29 o 128.3067 1.375623  164.5838       3.528038  167.8582       5.093112  161.5631       4.891775  2.450920       2.751246  
1 1 1 -8  2  30 o 30.16667 0.6119527 9.031902       0.3677342 10.17614       0.5466296 8.085957       0.4970132 3.464153       1.223905  
1 1 1 -8  2  31 o 98.54302 1.092249  96.79574       2.146416  92.95073       2.905672  101.4139       3.184426  -4.291458      2.184498  
1 1 1 -8  2  32 f 215.9583 2.782894  465.1833       11.25179  473.4548       19.84442  461.2641       13.65976  2.663452       5.565788  
1 1 1 -8  2  33 o 72.06686 1.201231  51.93995       1.730893  52.69364       2.483514  51.22804       2.413685  1.015968       2.402461  
1 1 1 -8  2  34 o 162.6447 2.440729  264.0848       7.915339  276.6738       11.75476  253.6410       10.70649  7.052048       4.881458  
1 1 1 -8  2  35 o 81.46214 1.323211  66.40189       2.155828  66.28861       3.050086  66.51498       3.047517  -0.1389923     2.646423  
1 1 1 -8  2  36 o 57.07744 0.9024484 32.73064       0.9768082 33.03931       1.206328  32.14289       1.664654  0.7913704      1.804897  
1 1 1 -8  2  37 o 133.3905 1.435189  177.8812       3.824982  173.4471       5.269472  182.8194       5.560977  -3.506195      2.870378  
1 1 1 -8  2  38 o 94.28911 1.059098  88.94994       1.997025  88.14079       2.800123  89.78754       2.848951  -0.8721848     2.118196  
1 1 1 -8  2  39 o 61.37992 0.7825817 37.52954       0.9582832 35.48155       1.300052  39.96621       1.418058  -3.650990      1.565163  
1 1 1 -8  2  40 o 84.20830 0.9693964 70.90764       1.631669  72.58149       2.357007  69.36732       2.261039  1.905754       1.938793  
1 1 1 -8  2  41 o 46.60189 0.6845544 21.72675       0.6380253 21.66693       0.9000659 21.78717       0.9045590 -0.1289063     1.369109  
1 1 1 -8  2  42 f 53.81357 0.7262033 28.96744       0.7814454 29.38074       1.118420  28.57322       1.092304  0.7495689      1.452407  
1 1 1 -8  2  43 o 46.62473 0.6885664 21.58698       0.6394969 19.89500       0.8589368 23.69133       0.9579064 -4.068096      1.377133  
1 1 1 -8  2  44 o 64.67744 0.8111841 41.85297       1.049024  41.18820       1.462991  42.55646       1.504987  -1.056114      1.622368  
1 1 1 -8  2  45 o 48.01632 0.7093635 22.99921       0.6800738 24.42289       0.9973370 21.76196       0.9297547 2.768295       1.418727  
1 1 1 -8  2  46 o 68.13588 1.041178  46.24372       1.329349  45.76122       1.614354  47.26002       2.342957  -1.056549      2.082356  
1 1 1 -8  2  47 f 77.44534 1.308150  60.17963       2.026150  60.41077       2.858700  59.94631       2.872164  0.3010712      2.616300  
1 1 1 -8  2  48 o 37.19789 0.9743262 13.75276       0.7213508 15.78453       1.071194  12.06688       0.9757600 4.990467       1.948652  
1 1 1 -8  2  49 o 50.69665 0.9012257 25.26806       0.8587974 27.15011       1.521925  24.38883       1.040234  2.687588       1.802451  
1 1 1 -8  2  50 o 57.26663 0.7835121 32.56691       0.8926033 35.55955       1.350234  30.24384       1.189628  4.629436       1.567024  
1 1 1 -8  2  51 o 56.38010 0.7832264 31.79470       0.8823804 33.04174       1.281374  30.67005       1.216872  2.098026       1.566453  
1 1 1 -8  2  52 o 20.28791 0.9410117 4.103916       0.3630288 6.060446       0.5469900 2.563663       0.4853245 8.611642       1.882023  
1 1 1 -8  2  53 f 55.93743 0.7918904 31.30990       0.8849652 32.38038       1.288598  30.35431       1.217487  1.803993       1.583781  
1 1 1 -8  2  54 o 12.69071 1.377009  1.682932       0.3323684 1.324302       0.4839560 2.003087       0.4572592 -2.853992      2.754018  
1 1 1 -8  2  55 o 10.32307 1.623444  1.123344       0.3268090 1.018534       0.4715846 1.220190       0.4533123 -0.9665270     3.246888  
1 1 1 -8  2  56 o 57.89207 0.8182210 33.61024       0.9473653 33.70459       1.339054  33.51569       1.340501  0.1633263      1.636442  
1 1 1 -8  2  57 o 48.49702 0.7815319 23.57589       0.7578074 24.18007       1.088058  23.00672       1.056061  1.205399       1.563064  
1 1 1 -8  2  58 o 28.49979 0.8934746 8.181465       0.5075427 7.696091       0.7338011 8.626635       0.7027527 -1.637438      1.786949  
1 1 1 -8  2  59 o 30.27881 2.440184  9.316034       1.477718  9.316034       1.477718  ?              ?         ?              ?         
1 1 1 -8  2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  2  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  3  1  o 584.5450 8.616302  3428.859       100.6397  3362.813       138.8628  3501.931       146.0619  -11.76917      17.23260  
1 1 1 -8  3  2  o 317.0156 4.029820  1007.400       24.15129  1001.644       41.54987  1010.337       29.68018  -1.473083      8.059641  
1 1 1 -8  3  3  o 543.5864 5.661224  2937.033       61.16246  2762.336       81.20801  3166.025       92.97471  -36.98602      11.32245  
1 1 1 -8  3  4  f 105.5499 1.140522  111.0045       2.400736  116.6494       3.561662  106.3043       3.250007  4.899811       2.281045  
1 1 1 -8  3  5  o 410.9009 4.275805  1690.262       35.13853  1696.172       49.75249  1684.380       49.63449  1.433746       8.551609  
1 1 1 -8  3  6  o 303.1215 3.151624  918.5231       19.09165  899.3087       26.38424  939.6411       27.66027  -6.644409      6.303248  
1 1 1 -8  3  7  o 102.8183 1.110355  105.6029       2.281216  108.4138       3.312356  103.0668       3.146299  2.599876       2.220711  
1 1 1 -8  3  8  o 657.5668 6.874327  4331.821       90.35007  4249.658       125.1524  4421.250       130.5682  -12.97614      13.74865  
1 1 1 -8  3  9  o 102.4066 1.113764  104.7054       2.278551  101.4340       3.132805  108.3796       3.320055  -3.390793      2.227529  
1 1 1 -8  3  10 o 434.5433 4.894441  1894.481       42.30863  1850.976       62.78747  1930.663       57.26061  -9.218292      9.788881  
1 1 1 -8  3  11 o 401.5353 4.173507  1610.026       33.45509  1555.592       45.68020  1673.002       49.13362  -14.59369      8.347014  
1 1 1 -8  3  12 o 65.70590 0.7641720 43.17345       1.004187  43.10163       1.414590  43.24640       1.425744  -0.1101456     1.528344  
1 1 1 -8  3  13 o 485.7564 7.178415  2363.664       69.62434  2408.816       101.8203  2324.012       95.41854  8.640503       14.35683  
1 1 1 -8  3  14 o 86.87750 0.9651482 75.01555       1.668773  71.08098       2.230994  80.01297       2.514334  -5.140038      1.930296  
1 1 1 -8  3  15 o 544.3750 5.655917  2967.231       61.55606  2914.981       85.65062  3023.051       88.52746  -9.893677      11.31183  
1 1 1 -8  3  16 o 24.26105 0.7417871 5.859608       0.3589711 6.482970       0.5265187 5.318184       0.4906960 2.400471       1.483574  
1 1 1 -8  3  17 o 277.5807 2.889691  765.4163       15.94289  724.8863       21.18499  818.3468       24.20987  -16.81577      5.779383  
1 1 1 -8  3  18 o 291.8541 3.036307  852.3195       17.72315  852.2119       25.04270  852.4274       25.08599  -0.3662109E-01 6.072614  
1 1 1 -8  3  19 o 266.8387 2.780837  711.6497       14.82571  729.1330       21.55033  695.9398       20.42811  6.211487       5.561675  
1 1 1 -8  3  20 o 271.2021 2.823973  735.9837       15.31729  737.4802       21.70019  734.4978       21.62384  0.5491943      5.647947  
1 1 1 -8  3  21 o 239.9919 2.504913  574.9120       11.99860  596.9269       17.65707  556.0247       16.35482  8.510941       5.009827  
1 1 1 -8  3  22 o 252.3580 2.631394  635.7068       13.25240  660.6112       19.52385  614.4285       18.04664  9.135742       5.262787  
1 1 1 -8  3  23 o 276.9219 2.885479  765.7444       15.94644  740.7409       21.71594  795.0049       23.49198  -9.775726      5.770958  
1 1 1 -8  3  24 o 249.5508 2.605325  623.2405       13.00115  618.0634       18.19619  628.6397       18.58271  -2.114136      5.210649  
1 1 1 -8  3  25 f 372.8885 3.875696  1393.616       28.90258  1401.401       41.12309  1386.016       40.63020  2.052490       7.751391  
1 1 1 -8  3  26 o 149.8529 1.589564  224.3438       4.758382  230.8484       6.934346  218.5552       6.541556  4.097809       3.179127  
1 1 1 -8  3  27 o 71.83371 0.8350158 51.58554       1.199200  52.39976       1.724314  50.82283       1.668893  1.097282       1.670032  
1 1 1 -8  3  28 o 138.2490 1.814548  189.5848       4.671009  195.8729       8.355162  186.7260       5.633631  3.268799       3.629096  
1 1 1 -8  3  29 o 169.3161 2.528444  286.5012       8.547524  277.7175       11.68628  296.6059       12.53427  -5.561142      5.056888  
1 1 1 -8  3  30 o 175.7665 2.623088  309.4261       9.220893  310.3462       13.08149  308.5177       12.99952  0.5183716      5.246176  
1 1 1 -8  3  31 o 228.7780 3.390380  524.0775       15.49179  509.7099       21.25521  540.3585       22.62641  -6.656570      6.780761  
1 1 1 -8  3  32 o 60.87824 0.9180611 37.25852       1.067592  37.71726       1.330274  36.42844       1.789449  1.062511       1.836122  
1 1 1 -8  3  33 o 48.76418 0.6850921 23.38029       0.6620012 20.84238       0.8675888 26.91718       1.024204  -6.227612      1.370184  
1 1 1 -8  3  34 o 115.2642 1.253607  132.9218       2.889850  133.4428       4.104009  132.4095       4.069934  0.4477692      2.507215  
1 1 1 -8  3  35 o 88.21695 0.9990207 77.48909       1.756521  82.05257       2.619246  73.75935       2.367918  4.697212       1.998041  
1 1 1 -8  3  36 o 45.55827 0.6696201 20.70665       0.6093322 19.67766       0.8363827 21.87055       0.8895218 -2.406143      1.339240  
1 1 1 -8  3  37 o 84.38750 0.9661356 70.72715       1.621907  66.53508       2.162668  76.11552       2.451909  -5.671669      1.932271  
1 1 1 -8  3  38 o 33.68522 0.6361630 11.30408       0.4277223 10.51687       0.5840996 12.21429       0.6280727 -2.518932      1.272326  
1 1 1 -8  3  39 o 86.45837 0.9869773 74.69832       1.704859  76.95322       2.480675  72.67999       2.346947  2.468018       1.973955  
1 1 1 -8  3  40 o 37.76733 0.6446559 14.26153       0.4868068 13.84256       0.6801921 14.70148       0.6970138 -1.136799      1.289312  
1 1 1 -8  3  41 o 97.17562 1.088918  94.53777       2.116310  94.68675       2.999567  94.39007       2.986306  0.1521606      2.177836  
1 1 1 -8  3  42 o 115.4783 1.265348  133.0661       2.913210  127.3395       3.936412  140.0007       4.331701  -5.461960      2.530695  
1 1 1 -8  3  43 o 107.9723 1.195133  116.7754       2.580528  115.6489       3.616340  117.9440       3.683421  -1.059181      2.390265  
1 1 1 -8  3  44 o 40.67919 0.8100206 16.47605       0.6571894 15.01328       0.8948060 18.18917       0.9683579 -3.900627      1.620041  
1 1 1 -8  3  45 o 78.11110 0.9251618 60.73717       1.439357  57.39158       1.931950  64.91089       2.157850  -4.801910      1.850324  
1 1 1 -8  3  46 o 44.45620 0.6934463 19.66686       0.6147624 18.22773       0.8323010 21.39465       0.9119601 -3.558563      1.386893  
1 1 1 -8  3  47 o 43.74941 0.6943400 19.13910       0.6072333 18.46597       0.8434123 19.86355       0.8749723 -1.595726      1.388680  
1 1 1 -8  3  48 f 57.49104 0.7756859 33.09172       0.8918708 32.86831       1.255107  33.31961       1.267577  -0.3917885     1.551372  
1 1 1 -8  3  49 o 58.85822 0.9602801 35.41933       1.088710  37.64265       1.391604  31.91158       1.747951  4.896812       1.920560  
1 1 1 -8  3  50 o 30.16105 1.006828  9.132630       0.6064973 9.384283       0.8433955 8.863129       0.8727931 0.8667831      2.013656  
1 1 1 -8  3  51 f 82.51863 1.388970  68.39210       2.289652  66.69816       3.148705  70.29295       3.335473  -2.150909      2.777939  
1 1 1 -8  3  52 o 39.35072 1.014062  15.51593       0.7972752 15.10715       1.098115  15.97164       1.159416  -1.091316      2.028123  
1 1 1 -8  3  53 f 31.25729 0.7951795 9.798515       0.4937067 9.738200       0.7416680 9.846510       0.6615874 -0.1812973     1.590359  
1 1 1 -8  3  54 o 31.91007 0.7616388 10.14736       0.4846169 11.25282       0.7151524 9.208708       0.6589910 3.197126       1.523278  
1 1 1 -8  3  55 o 40.63161 0.7519949 16.45929       0.6094212 18.11728       0.8988519 15.04873       0.8290741 3.768467       1.503990  
1 1 1 -8  3  56 o 38.56619 0.7580054 14.90609       0.5845587 15.12539       0.8366199 14.69689       0.8171071 0.5532837      1.516011  
1 1 1 -8  3  57 o 71.81516 0.9200646 51.78895       1.321479  51.67519       1.863997  51.90390       1.873747  -0.1576691     1.840129  
1 1 1 -8  3  58 o 75.03200 1.363492  56.78930       2.043741  56.14104       2.816319  57.51043       2.970406  -0.8752365     2.726985  
1 1 1 -8  3  59 o 9.214300 3.691461  0.4683889      1.032380  0.4683889      1.032380  ?              ?         ?              ?         
1 1 1 -8  3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  4  1  o 173.1333 2.228214  300.2468       7.292025  301.1086       8.959553  298.5559       12.55018  0.7520752      4.456428  
1 1 1 -8  4  2  o 293.4554 3.663483  874.8698       21.03983  937.1879       27.67572  789.5338       32.38604  25.19049       7.326966  
1 1 1 -8  4  3  o 289.3523 4.257534  837.5150       24.62508  854.2071       35.53796  822.0980       34.15354  5.537079       8.515068  
1 1 1 -8  4  4  f 316.5502 4.653722  1003.161       29.46119  1008.988       41.92271  997.4747       41.41084  1.813934       9.307444  
1 1 1 -8  4  5  o 31.00803 0.7281297 9.514617       0.4491806 10.82719       0.6756902 8.475234       0.6012761 3.792391       1.456259  
1 1 1 -8  4  6  o 517.3276 6.610198  2663.177       64.02751  2737.288       113.1718  2628.289       77.64928  10.09979       13.22040  
1 1 1 -8  4  7  o 161.0945 1.697452  258.2577       5.445557  272.9761       8.165663  246.4690       7.307896  8.224533       3.394904  
1 1 1 -8  4  8  o 420.0472 4.355690  1761.031       36.50150  1698.197       49.58034  1835.391       53.93612  -16.29611      8.711381  
1 1 1 -8  4  9  o 376.4103 3.915610  1412.851       29.38967  1355.851       39.76387  1481.478       43.63137  -16.65982      7.831221  
1 1 1 -8  4  10 o 375.8835 3.903078  1413.615       29.33426  1397.988       40.93066  1430.117       42.06230  -4.265533      7.806155  
1 1 1 -8  4  11 o 57.56004 0.9008751 33.11666       1.030973  38.15612       1.488032  28.46427       1.429746  8.418804       1.801750  
1 1 1 -8  4  12 o 421.8112 4.395448  1778.459       37.04410  1724.074       51.01827  1839.106       53.87492  -13.61121      8.790896  
1 1 1 -8  4  13 o 310.9109 3.232568  965.3317       20.06651  936.9599       27.43835  997.9542       29.42205  -9.796387      6.465135  
1 1 1 -8  4  14 o 334.0174 3.468824  1116.339       23.17133  1123.643       33.00320  1109.240       32.54014  2.152893       6.937648  
1 1 1 -8  4  15 o 221.2717 2.312094  489.6884       10.23069  485.4596       14.33077  494.0836       14.61002  -1.947418      4.624188  
1 1 1 -8  4  16 o 250.1584 3.688480  625.7355       18.43948  639.9938       26.72014  612.7712       25.47886  5.431274       7.376959  
1 1 1 -8  4  17 o 457.1339 4.743483  2084.488       43.22064  1998.308       58.31786  2189.505       64.37673  -20.84567      9.486965  
1 1 1 -8  4  18 o 156.1917 1.650828  241.9647       5.120426  260.5728       7.817726  227.9846       6.776192  10.42769       3.301657  
1 1 1 -8  4  19 o 210.7065 2.208183  443.7299       9.297832  453.7819       13.48065  434.6093       12.84090  4.545639       4.416366  
1 1 1 -8  4  20 f 411.3719 4.269235  1694.462       35.11546  1715.975       50.36064  1674.105       48.98927  5.070923       8.538470  
1 1 1 -8  4  21 o 436.5144 4.534334  1907.839       39.56109  1869.607       54.78986  1949.483       57.18246  -9.111267      9.068668  
1 1 1 -8  4  22 o 150.5577 1.595947  226.5993       4.803020  230.8344       6.930601  222.6858       6.662331  2.704422       3.191894  
1 1 1 -8  4  23 o 199.5056 2.091897  396.8057       8.321212  415.8903       12.36223  380.9954       11.25192  8.734665       4.183795  
1 1 1 -8  4  24 o 42.84021 0.6120199 18.22130       0.5222916 16.88165       0.7015004 19.88757       0.7823616 -3.508034      1.224040  
1 1 1 -8  4  25 o 173.4789 2.236347  303.1412       7.389069  294.7526       12.44475  307.7088       9.182965  -3.776031      4.472694  
1 1 1 -8  4  26 o 164.3478 2.455780  270.4106       8.071994  270.8691       11.43865  269.9558       11.39254  0.2770996      4.911559  
1 1 1 -8  4  27 o 116.7350 1.780714  135.9245       4.146397  142.1596       6.138291  130.6918       5.623279  4.904785       3.561429  
1 1 1 -8  4  28 o 69.84197 1.161710  48.56489       1.617422  51.54871       2.408750  46.11486       2.182684  3.887985       2.323419  
1 1 1 -8  4  29 o 121.9448 1.606614  148.9149       3.701636  149.1718       4.544823  148.4086       6.379919  0.3356018      3.213228  
1 1 1 -8  4  30 o 202.2550 2.122782  409.4965       8.586502  411.5887       12.21080  407.4500       12.07661  1.020676       4.245564  
1 1 1 -8  4  31 f 106.9059 1.169345  114.0041       2.494611  109.7622       3.393909  118.9891       3.679154  -4.312408      2.338691  
1 1 1 -8  4  32 o 119.5021 1.293590  142.5192       3.085607  137.5704       4.207240  148.2793       4.539040  -4.476379      2.587180  
1 1 1 -8  4  33 f 243.1199 2.543855  592.2443       12.36919  591.4291       17.46272  593.0650       17.52277  -0.3347626     5.087711  
1 1 1 -8  4  34 o 172.4780 1.823531  297.1455       6.278563  287.5442       8.570065  308.2690       9.224463  -5.993896      3.647061  
1 1 1 -8  4  35 f 182.7130 1.928122  334.3139       7.045706  333.0889       9.925342  335.5582       10.00338  -0.6736755     3.856244  
1 1 1 -8  4  36 o 51.68884 0.7101271 26.24425       0.7267057 23.42757       0.9490679 30.23615       1.129842  -6.584084      1.420254  
1 1 1 -8  4  37 o 80.46946 0.9341617 64.71301       1.502312  63.06939       2.076410  66.51856       2.176287  -2.141449      1.868323  
1 1 1 -8  4  38 f 128.2887 1.385825  164.7248       3.554780  162.5290       4.959249  167.0452       5.098061  -1.755836      2.771650  
1 1 1 -8  4  39 o 122.6171 1.332702  149.9724       3.258043  157.5188       4.842772  143.7327       4.403612  5.606339       2.665404  
1 1 1 -8  4  40 o 28.47163 0.6424903 8.086291       0.3651853 8.800611       0.5312409 7.446334       0.5028296 2.377712       1.284981  
1 1 1 -8  4  41 o 59.86281 0.7651798 35.43465       0.9092642 32.57932       1.199614  39.28999       1.393943  -5.599895      1.530360  
1 1 1 -8  4  42 o 56.48855 0.7435638 31.92610       0.8399879 31.56845       1.178736  32.29512       1.197327  -0.6426163     1.487128  
1 1 1 -8  4  43 o 33.30381 0.6592624 10.96670       0.4364021 9.576880       0.5835310 12.73056       0.6573793 -4.732468      1.318525  
1 1 1 -8  4  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  4  45 o 46.27465 0.6985776 21.10892       0.6415206 24.26181       0.9834017 18.77318       0.8464236 5.925247       1.397155  
1 1 1 -8  4  46 o 65.34154 0.8245888 42.73764       1.077486  42.15320       1.510629  43.34293       1.537312  -0.9090347     1.649178  
1 1 1 -8  4  47 o 108.8280 1.211044  118.7111       2.634772  116.5445       3.661516  121.0377       3.794292  -2.053070      2.422088  
1 1 1 -8  4  48 o 55.18276 0.7614798 30.42491       0.8393428 31.76376       1.225422  29.24168       1.151998  2.280914       1.522960  
1 1 1 -8  4  49 o 11.42479 1.302441  1.333864       0.2898349 1.456511       0.4083360 1.209333       0.4114587 1.245628       2.604881  
1 1 1 -8  4  50 o 66.28621 0.8453971 43.95427       1.119600  45.58186       1.629401  42.49849       1.541002  2.318390       1.690794  
1 1 1 -8  4  51 o 58.62397 0.7997425 34.43338       0.9376758 34.26287       1.324300  34.60482       1.327855  -0.2913475     1.599485  
1 1 1 -8  4  52 o 53.60380 0.7757962 28.73856       0.8308288 27.68152       1.143167  29.92199       1.209583  -2.083817      1.551592  
1 1 1 -8  4  53 o 13.03346 1.528072  1.751980       0.3748754 1.785649       0.4752210 1.696513       0.6099570 0.5814781      3.056145  
1 1 1 -8  4  54 f 17.05136 1.424943  2.915424       0.4844490 3.251738       0.7119407 2.625422       0.6611086 1.826691       2.849887  
1 1 1 -8  4  55 o 57.95217 1.139799  33.60604       1.317752  36.10106       1.949345  31.50641       1.788227  3.937382       2.279597  
1 1 1 -8  4  56 o 49.70795 0.9412102 24.50442       0.8827539 25.70998       1.544078  23.91907       1.075925  1.733006       1.882420  
1 1 1 -8  4  57 o 70.65026 0.9250308 50.01501       1.304503  51.83018       1.917904  48.45229       1.779548  2.368088       1.850062  
1 1 1 -8  4  58 o 38.43779 1.113387  14.98726       0.8280953 15.36447       1.053627  14.37775       1.339325  1.339870       2.226774  
1 1 1 -8  4  59 o 42.88140 2.265273  18.65146       1.942762  18.65146       1.942762  ?              ?         ?              ?         
1 1 1 -8  4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  5  1  o 522.3293 5.455784  2705.613       56.45550  2550.276       74.06838  2920.974       87.21254  -35.35422      10.91157  
1 1 1 -8  5  2  o 145.4731 1.542187  211.6502       4.486936  211.7114       6.345776  211.5891       6.345195  0.4205322E-01  3.084374  
1 1 1 -8  5  3  o 497.9617 5.184240  2483.001       51.62991  2496.923       73.31532  2469.305       72.71976  2.767487       10.36848  
1 1 1 -8  5  4  o 465.6762 5.255761  2161.329       48.14079  2116.571       62.34719  2227.413       75.75835  -11.77295      10.51152  
1 1 1 -8  5  5  o 455.9639 5.887888  2025.873       48.79644  1951.107       57.48012  2218.778       92.32835  -28.98325      11.77578  
1 1 1 -8  5  6  o 683.0967 10.05899  4643.203       136.2344  4354.288       179.1338  5039.547       209.8116  -49.59460      20.11798  
1 1 1 -8  5  7  o 255.2697 3.762867  650.0884       19.16000  678.5825       28.35795  626.1554       25.98938  10.25261       7.525734  
1 1 1 -8  5  8  o 377.4781 5.543765  1426.614       41.83778  1447.543       60.14119  1406.987       58.23971  5.352386       11.08753  
1 1 1 -8  5  9  o 194.6131 4.072965  0.000000       0.000000  ?              ?         378.9098       15.85304  ?              ?         
1 1 1 -8  5  10 o 436.3484 7.292661  1944.003       56.98729  1831.274       106.4839  1989.248       67.46114  -18.62991      14.58532  
1 1 1 -8  5  11 o 365.2455 3.804589  1321.193       27.55924  1234.738       36.26270  1439.406       42.40298  -27.97241      7.609178  
1 1 1 -8  5  12 o 240.4350 2.515292  576.9163       12.06589  597.1005       17.80864  559.7882       16.40512  7.752365       5.030584  
1 1 1 -8  5  13 o 297.4378 3.100027  883.8826       18.41612  908.6121       26.89048  862.0380       25.27332  7.819214       6.200054  
1 1 1 -8  5  14 f 689.4399 7.184119  4766.029       99.03944  4701.557       138.3451  4833.805       141.8464  -9.539612      14.36824  
1 1 1 -8  5  15 o 126.4895 1.352139  159.9881       3.420100  158.6420       4.787279  161.3914       4.887790  -1.086494      2.704278  
1 1 1 -8  5  16 o 488.7986 7.182773  2396.593       70.19955  2428.231       100.6884  2366.668       97.92367  6.251190       14.36555  
1 1 1 -8  5  17 o 172.3495 1.816686  294.3906       6.212911  276.8435       8.195554  318.1005       9.526695  -11.96283      3.633372  
1 1 1 -8  5  18 f 330.6260 3.435825  1093.938       22.71543  1083.842       31.77174  1104.496       32.48922  -3.116669      6.871650  
1 1 1 -8  5  19 o 291.7092 3.040946  849.6656       17.70537  822.9122       24.13909  880.8177       26.04810  -9.907593      6.081892  
1 1 1 -8  5  20 o 440.5373 4.898086  1948.047       42.89888  1972.370       57.80583  1918.230       64.00269  6.247742       9.796171  
1 1 1 -8  5  21 o 144.2173 1.855412  210.5757       5.165846  198.0774       8.359806  218.2961       6.570430  -7.022476      3.710824  
1 1 1 -8  5  22 o 343.8815 5.061696  1181.559       34.69093  1240.982       51.70420  1132.905       46.78463  15.60440       10.12339  
1 1 1 -8  5  23 o 144.8283 2.173929  209.8547       6.296057  212.0040       8.994635  207.7899       8.815992  1.452911       4.347858  
1 1 1 -8  5  24 o 210.5677 3.124031  443.7899       13.14870  436.4812       18.22910  451.7166       18.98401  -3.604599      6.248062  
1 1 1 -8  5  25 o 146.5038 1.916351  212.7703       5.227819  209.3774       6.304086  220.2416       9.354750  -3.671371      3.832702  
1 1 1 -8  5  26 o 180.6233 2.058213  325.7951       7.332653  322.1566       9.579884  330.9426       11.39445  -2.404816      4.116426  
1 1 1 -8  5  27 o 297.7591 3.102026  888.5060       18.47235  883.9595       25.98083  893.1541       26.26924  -1.536743      6.204052  
1 1 1 -8  5  28 o 185.6864 1.954249  344.2979       7.243551  357.1985       10.64736  333.1827       9.883131  6.455063       3.908499  
1 1 1 -8  5  29 o 153.7024 1.633315  236.3756       5.020623  237.5720       7.143686  235.2080       7.057565  0.7678833      3.266629  
1 1 1 -8  5  30 o 95.04840 1.057579  90.36642       2.010385  90.51788       2.853049  90.21705       2.833283  0.1580582      2.115159  
1 1 1 -8  5  31 o 105.1913 1.153686  109.6505       2.409212  102.6880       3.182590  118.9954       3.687093  -7.745804      2.307372  
1 1 1 -8  5  32 o 258.3854 2.699599  669.0227       13.95007  672.5780       19.84464  665.5494       19.61415  1.353638       5.399198  
1 1 1 -8  5  33 o 57.91684 0.7432219 33.18493       0.8550316 36.66430       1.305726  30.57291       1.131332  5.257278       1.486444  
1 1 1 -8  5  34 o 164.1151 1.739342  269.6235       5.709040  269.7005       8.079152  269.5468       8.068464  0.4660034E-01  3.478683  
1 1 1 -8  5  35 f 111.3114 1.218538  122.9798       2.695260  115.7462       3.575815  132.4958       4.101347  -7.514236      2.437077  
1 1 1 -8  5  36 f 140.0836 1.501968  196.0667       4.201643  190.0623       5.754397  202.9234       6.149280  -4.580734      3.003937  
1 1 1 -8  5  37 o 112.2890 1.228969  125.9577       2.755834  130.3433       4.032831  122.1157       3.774644  3.657211       2.457938  
1 1 1 -8  5  38 o 61.80550 0.7787629 37.77117       0.9557396 41.92699       1.462593  34.67420       1.262595  5.863785       1.557526  
1 1 1 -8  5  39 o 107.1124 1.181772  114.8568       2.531623  114.5168       3.570491  115.2005       3.590101  -0.3185043     2.363543  
1 1 1 -8  5  40 o 76.53076 0.9000761 58.43668       1.374727  61.23673       2.026288  56.04868       1.871267  3.384911       1.800152  
1 1 1 -8  5  41 f 56.91398 0.7511808 32.33998       0.8539878 33.84186       1.246355  31.01090       1.172471  2.485020       1.502362  
1 1 1 -8  5  42 o 54.23324 0.7334168 29.27124       0.7929824 27.46435       1.070504  31.46826       1.180430  -3.687809      1.466834  
1 1 1 -8  5  43 o 83.93879 0.9752239 70.53288       1.636957  71.36014       2.338765  69.73840       2.291957  0.9638672      1.950448  
1 1 1 -8  5  44 o 125.2839 1.944237  157.8040       4.870704  155.9791       6.808512  159.7169       6.970785  -1.475166      3.888474  
1 1 1 -8  5  45 o 56.44283 0.7589273 31.88613       0.8567040 32.02537       1.216103  31.74895       1.207072  0.2444839      1.517855  
1 1 1 -8  5  46 o 105.5327 1.178006  111.2227       2.478735  117.0155       3.683472  106.4284       3.350990  4.990273       2.356012  
1 1 1 -8  5  47 o 12.22588 1.184430  1.504762       0.2870754 1.264759       0.4027032 1.752752       0.4093502 -1.995192      2.368860  
1 1 1 -8  5  48 o 37.34438 0.6930098 13.92915       0.5169989 14.79372       0.7516478 13.15287       0.7122369 2.194717       1.386020  
1 1 1 -8  5  49 o 59.86744 0.7998048 35.82191       0.9564079 37.39328       1.396710  34.43460       1.312357  2.465038       1.599610  
1 1 1 -8  5  50 o 23.16273 0.8036782 5.371247       0.3721636 5.184112       0.5187665 5.569692       0.5342110 -0.8310528     1.607356  
1 1 1 -8  5  51 o 59.68031 0.8721333 35.86245       1.035603  33.66332       1.513840  37.79686       1.419807  -3.471931      1.744267  
1 1 1 -8  5  52 o 9.220987 1.615712  0.8414123      0.3173303 1.420327       0.4761659 0.3788774      0.4256214 4.947839       3.231423  
1 1 1 -8  5  53 f 27.73793 0.8153330 7.744186       0.4501812 7.308349       0.6576461 8.128497       0.6175486 -1.482691      1.630666  
1 1 1 -8  5  54 o 74.41698 0.9354158 55.49324       1.390551  57.02063       2.026445  54.13399       1.911645  1.924690       1.870832  
1 1 1 -8  5  55 o 32.45157 0.7998424 10.55283       0.5186927 10.70200       0.7511275 10.41686       0.7171369 0.4353561      1.599685  
1 1 1 -8  5  56 o 28.60466 1.017753  8.160243       0.5607050 7.999599       0.7006226 8.446419       0.9351225 -0.7423611     2.035506  
1 1 1 -8  5  57 o 31.51767 1.122104  10.00055       0.7069197 10.16617       0.9885053 9.827185       1.011357  0.5422878      2.244207  
1 1 1 -8  5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  5  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  5  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  6  1  o 247.8364 2.590210  612.7561       12.80892  591.2414       17.41587  638.1066       18.90466  -9.447525      5.180421  
1 1 1 -8  6  2  o 189.3534 1.988892  358.1595       7.523926  368.1105       10.94998  349.2591       10.35574  4.975632       3.977785  
1 1 1 -8  6  3  o 237.0480 2.480493  561.8143       11.75467  553.0457       16.33494  571.2314       16.92817  -3.833099      4.960986  
1 1 1 -8  6  4  o 426.2109 5.134212  1819.002       43.75896  1825.290       62.45975  1812.941       61.32488  1.437744       10.26842  
1 1 1 -8  6  5  o 557.2042 8.304466  3115.215       92.51875  3155.831       132.7608  3076.865       129.0027  7.026855       16.60893  
1 1 1 -8  6  6  f 533.0250 9.751202  2781.227       94.66310  3036.089       178.2964  2681.184       111.7081  32.07153       19.50240  
1 1 1 -8  6  7  o 280.8135 2.928344  788.3506       16.43676  772.9571       22.78098  805.0659       23.73877  -5.711731      5.856687  
1 1 1 -8  6  8  o 458.1439 5.192311  2074.205       46.30770  2220.604       75.74045  1986.811       58.51943  25.34207       10.38462  
1 1 1 -8  6  9  o 378.9317 4.824850  1434.681       34.38258  1428.783       41.95950  1446.734       59.98468  -2.200867      9.649700  
1 1 1 -8  6  10 o 427.0958 6.273362  1827.996       53.58329  1837.871       76.27562  1818.375       75.29040  2.270233       12.54672  
1 1 1 -8  6  11 o 144.0852 2.169559  207.1622       6.239074  215.0455       9.183500  200.4047       8.502558  5.077682       4.339118  
1 1 1 -8  6  12 o 701.1555 10.36588  4940.654       145.2480  4808.171       200.6265  5086.574       210.5563  -19.64508      20.73176  
1 1 1 -8  6  13 o 490.0532 6.343339  2358.191       56.71035  2526.681       106.0963  2290.796       67.10036  23.55743       12.68668  
1 1 1 -8  6  14 o 506.0383 6.497916  2524.868       60.41147  2675.186       111.3506  2462.168       71.91553  20.48846       12.99583  
1 1 1 -8  6  15 o 632.5110 6.607476  4012.121       83.57257  4031.806       119.3899  3993.208       117.0245  3.013916       13.21495  
1 1 1 -8  6  16 o 421.7760 4.380687  1775.259       36.84330  1858.093       54.68604  1706.410       49.85675  17.92694       8.761374  
1 1 1 -8  6  17 o 164.6714 1.741962  271.0816       5.734835  276.4583       8.250302  266.0551       7.977159  3.157455       3.483923  
1 1 1 -8  6  18 o 353.9083 4.493544  1258.555       30.17555  1242.402       51.42345  1267.037       37.26627  -3.671814      8.987088  
1 1 1 -8  6  19 o 361.2264 5.313383  1308.036       38.37775  1293.317       53.58909  1323.533       54.98655  -4.157257      10.62677  
1 1 1 -8  6  20 o 246.8736 3.642171  609.1722       17.95337  629.7228       26.30987  591.2640       24.56014  7.764771       7.284343  
1 1 1 -8  6  21 o 45.09200 0.8616444 20.21518       0.7744911 18.88912       1.044655  21.83364       1.154097  -3.264603      1.723289  
1 1 1 -8  6  22 o 177.3043 2.305151  309.8647       7.530865  302.7132       8.987889  326.7162       13.79686  -6.715622      4.610302  
1 1 1 -8  6  23 o 292.5323 3.046618  856.9484       17.82434  854.1105       25.11470  859.8287       25.30118  -0.9743347     6.093237  
1 1 1 -8  6  24 f 311.8429 3.245458  973.9668       20.23674  962.8150       28.25664  985.7096       28.99581  -3.656189      6.490917  
1 1 1 -8  6  25 o 163.8582 1.732008  266.8430       5.643892  252.7480       7.517554  285.0494       8.543931  -9.843979      3.464016  
1 1 1 -8  6  26 o 190.1430 1.998514  361.7197       7.597460  356.5535       10.57963  367.2208       10.91719  -2.799713      3.997028  
1 1 1 -8  6  27 o 143.7337 1.530802  206.4826       4.396577  201.8384       6.065212  211.6251       6.382298  -3.400604      3.061605  
1 1 1 -8  6  28 o 49.46306 0.6668825 24.34493       0.6576807 26.02624       0.9783178 22.95856       0.8883758 3.100510       1.333765  
1 1 1 -8  6  29 o 128.3584 1.379776  163.3618       3.516193  176.6185       5.377320  153.4597       4.647440  9.012413       2.759552  
1 1 1 -8  6  30 o 110.1229 1.200777  120.4998       2.630617  113.9019       3.509202  128.9639       3.974627  -6.833588      2.401554  
1 1 1 -8  6  31 o 187.5469 1.976616  351.9702       7.411432  346.7539       10.31483  357.5377       10.65620  -2.868256      3.953233  
1 1 1 -8  6  32 o 264.1927 2.760419  698.7996       14.57106  682.6059       20.07712  716.8218       21.18028  -6.442535      5.520838  
1 1 1 -8  6  33 o 89.05132 1.005622  79.32766       1.791035  79.12961       2.530299  79.52654       2.535521  -0.2228012     2.011243  
1 1 1 -8  6  34 o 128.3352 1.384502  163.6436       3.532875  175.3293       5.354797  154.6363       4.701238  8.049850       2.769005  
1 1 1 -8  6  35 o 179.6241 1.898515  323.1598       6.820248  324.2777       9.681402  322.0584       9.609572  0.6155853      3.797030  
1 1 1 -8  6  36 o 123.8364 1.342907  153.0494       3.317975  159.5964       4.900847  147.5091       4.508337  4.870995       2.685814  
1 1 1 -8  6  37 o 46.25122 0.6793140 21.12850       0.6242107 23.90864       0.9512820 19.02632       0.8272008 5.276199       1.358628  
1 1 1 -8  6  38 o 66.05075 0.8171440 43.33208       1.073946  46.69287       1.621438  40.70539       1.433454  4.528610       1.634288  
1 1 1 -8  6  39 o 69.83514 0.8478802 48.43836       1.178270  45.39523       1.573069  52.32784       1.778411  -4.958199      1.695760  
1 1 1 -8  6  40 o 135.1978 1.457233  183.0790       3.938923  180.3457       5.484255  185.9911       5.660902  -2.079071      2.914466  
1 1 1 -8  6  41 o 117.6241 1.285198  138.6150       3.023406  138.5662       4.274286  138.6639       4.277198  -0.4139709E-01 2.570397  
1 1 1 -8  6  42 o 29.59173 0.6656658 8.761001       0.3939455 8.829674       0.5604616 8.693939       0.5538434 0.2291451      1.331332  
1 1 1 -8  6  43 o 57.88386 0.7640563 32.91613       0.8747514 37.75731       1.366968  29.55888       1.138346  7.073162       1.528113  
1 1 1 -8  6  44 o 78.01400 0.9249866 60.93168       1.443075  61.54832       2.059696  60.33715       2.022447  0.7743988      1.849973  
1 1 1 -8  6  45 o 48.32396 0.7107608 23.33799       0.6864317 24.32775       0.9937150 22.43467       0.9493276 1.956875       1.421522  
1 1 1 -8  6  46 o 38.53856 0.6823338 14.84315       0.5254729 15.69668       0.7590205 14.05753       0.7281992 2.125172       1.364668  
1 1 1 -8  6  47 o 52.76852 0.7511093 27.87276       0.7925293 28.08155       1.134301  27.67363       1.107781  0.3850861      1.502219  
1 1 1 -8  6  48 o 12.10184 1.345442  1.466012       0.3069586 2.113850       0.4690871 0.9808589      0.4059381 4.829922       2.690884  
1 1 1 -8  6  49 o 62.71807 0.8255385 39.39645       1.035264  39.82391       1.483797  38.99097       1.445136  0.6610527      1.651077  
1 1 1 -8  6  50 o 79.51100 0.9608665 63.39082       1.527871  63.52537       2.175317  63.25982       2.146445  0.1640930      1.921733  
1 1 1 -8  6  51 f 14.58917 1.152611  2.141587       0.3353159 2.075037       0.4889021 2.200696       0.4607643 -0.4342937     2.305222  
1 1 1 -8  6  52 o 46.81914 0.7567095 21.86152       0.7062107 23.18612       1.052186  20.77563       0.9526771 2.564922       1.513419  
1 1 1 -8  6  53 o 63.53149 0.8530569 40.41900       1.082745  41.61247       1.576064  39.35229       1.490021  1.768890       1.706114  
1 1 1 -8  6  54 o 40.39381 0.7691813 16.28860       0.6199021 17.31460       0.9164929 15.42337       0.8416315 2.332832       1.538363  
1 1 1 -8  6  55 o 32.21592 0.9054249 10.50789       0.5672871 9.996206       0.9037001 10.84065       0.7287632 -1.333836      1.810850  
1 1 1 -8  6  56 o 14.93155 2.101812  2.344039       0.5947722 2.396048       0.9471490 2.310178       0.7642480 0.1564531      4.203625  
1 1 1 -8  6  57 f 62.58345 1.482450  37.69669       1.563812  36.16908       1.767670  43.19736       3.354305  -5.210030      2.964900  
1 1 1 -8  6  58 o 7.623634 2.277298  0.2235323E-01  0.6208974 0.5297098      0.7162902 -1.511009      1.245245  1.422326       4.554596  
1 1 1 -8  6  59 o 11.38285 3.731961  1.306939       0.9799199 1.306939       0.9799199 ?              ?         ?              ?         
1 1 1 -8  6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  6  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  7  1  o 430.8366 4.483673  1858.284       38.63427  1857.432       54.74443  1859.129       54.53041  -0.1987915     8.967345  
1 1 1 -8  7  2  o 409.0559 4.249097  1673.957       34.74392  1703.772       50.11709  1646.369       48.20907  7.000641       8.498195  
1 1 1 -8  7  3  o 55.58770 0.6760954 28.89536       0.7189404 38.01694       1.262833  24.52127       0.8744909 12.13856       1.352191  
1 1 1 -8  7  4  f 258.4193 2.690978  668.0294       13.90719  671.9395       19.79642  664.2192       19.54152  1.492401       5.381956  
1 1 1 -8  7  5  o 251.2365 2.619822  629.6860       13.13215  655.5370       19.39269  607.7921       17.84681  9.494034       5.239643  
1 1 1 -8  7  6  f 364.0206 3.786728  1325.592       27.55826  1345.838       39.63622  1306.645       38.34251  5.373718       7.573456  
1 1 1 -8  7  7  o 685.5540 7.803151  4613.627       103.1926  5095.359       173.7916  4351.297       128.2480  53.56561       15.60630  
1 1 1 -8  7  8  o 510.3501 5.836334  2502.960       56.21030  2928.614       100.4762  2309.056       67.81545  60.32074       11.67267  
1 1 1 -8  7  9  o 527.9731 5.985431  2753.450       61.44087  2958.918       100.9016  2632.374       77.45628  30.64325       11.97086  
1 1 1 -8  7  10 o 367.7052 3.815367  1353.153       28.05765  1359.557       39.87764  1346.875       39.48429  1.721252       7.630733  
1 1 1 -8  7  11 o 395.4481 4.131978  1556.052       32.51538  1478.357       43.45355  1654.904       49.01442  -22.27390      8.263956  
1 1 1 -8  7  12 o 445.3829 4.627717  1984.214       41.18406  2032.696       59.79666  1940.463       56.80457  10.32373       9.255435  
1 1 1 -8  7  13 o 372.8903 4.759188  1387.745       33.24424  1378.905       40.39898  1406.287       58.50910  -3.472687      9.518375  
1 1 1 -8  7  14 o 337.0846 7.026068  0.000000       0.000000  ?              ?         1138.249       47.36759  ?              ?         
1 1 1 -8  7  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  7  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  7  17 o 207.5623 4.342443  0.000000       0.000000  ?              ?         431.1826       18.02655  ?              ?         
1 1 1 -8  7  18 o 223.0213 4.013251  503.1375       17.18320  480.0182       28.28617  516.6589       21.63213  -8.306335      8.026503  
1 1 1 -8  7  19 o 108.0424 1.454440  112.8934       2.835817  108.1388       3.320402  125.7104       5.451633  -8.119850      2.908880  
1 1 1 -8  7  20 o 119.5701 1.289473  142.9969       3.083515  142.7177       4.338748  143.2818       4.383088  -0.2356644     2.578945  
1 1 1 -8  7  21 o 131.3327 1.405282  172.2642       3.686320  177.4559       5.381085  167.6733       5.060188  3.722137       2.810563  
1 1 1 -8  7  22 o 223.8447 2.341282  501.3944       10.48012  506.4102       14.97655  496.5815       14.67044  2.191574       4.682564  
1 1 1 -8  7  23 o 92.10226 1.022356  84.82220       1.882839  85.83617       2.695796  83.85649       2.630863  1.074318       2.044713  
1 1 1 -8  7  24 o 138.1292 1.475447  189.8994       4.058849  180.9051       5.448007  201.1191       6.084800  -7.310577      2.950894  
1 1 1 -8  7  25 o 71.30888 0.8353493 50.85727       1.191341  50.88610       1.689375  50.82875       1.680282  0.4015350E-01  1.670699  
1 1 1 -8  7  26 o 269.4064 2.814380  724.7404       15.12176  697.5363       20.48939  757.2844       22.41026  -11.04547      5.628760  
1 1 1 -8  7  27 o 142.6418 1.519878  203.5590       4.335751  204.6505       6.168108  202.4929       6.095884  0.7554626      3.039755  
1 1 1 -8  7  28 o 102.6092 1.127580  105.1716       2.311430  108.2877       3.365769  102.3903       3.179858  2.871941       2.255161  
1 1 1 -8  7  29 o 144.9778 1.545396  210.2671       4.480078  212.5556       6.412100  208.0844       6.262136  1.539932       3.090791  
1 1 1 -8  7  30 o 72.87157 0.8587031 52.78345       1.246165  49.73685       1.671026  56.60073       1.870479  -4.707924      1.717406  
1 1 1 -8  7  31 o 59.04516 0.7516550 34.18370       0.8765091 30.76610       1.135195  39.22911       1.379300  -7.164623      1.503310  
1 1 1 -8  7  32 o 203.8820 2.143018  416.2729       8.738087  418.2531       12.42592  414.3358       12.29024  0.9573822      4.286037  
1 1 1 -8  7  33 o 151.4236 1.613613  228.4630       4.868156  240.9586       7.275105  218.3312       6.550926  7.456757       3.227227  
1 1 1 -8  7  34 o 264.7873 2.769813  703.2183       14.66462  694.8879       20.46941  712.0022       21.01933  -3.208710      5.539626  
1 1 1 -8  7  35 o 83.45901 0.9615442 69.09235       1.595480  64.56131       2.120609  75.00289       2.422009  -6.250710      1.923088  
1 1 1 -8  7  36 o 103.8901 1.149542  107.8516       2.385531  111.0870       3.479570  104.9822       3.276849  2.933426       2.299084  
1 1 1 -8  7  37 o 170.3450 1.806275  290.7561       6.152981  293.4213       8.787714  288.1929       8.618026  1.527451       3.612550  
1 1 1 -8  7  38 o 79.31100 0.9268466 62.61612       1.464402  66.53150       2.191699  59.45846       1.968232  4.453232       1.853693  
1 1 1 -8  7  39 o 81.44628 0.9428231 66.19073       1.532493  63.51670       2.085919  69.32679       2.258953  -3.561447      1.885646  
1 1 1 -8  7  40 o 29.40984 0.6548004 8.626058       0.3844867 7.994711       0.5281903 9.337675       0.5607631 -2.282419      1.309601  
1 1 1 -8  7  41 o 86.43391 0.9937431 74.77412       1.717472  73.64392       2.397885  75.96466       2.461093  -1.339737      1.987486  
1 1 1 -8  7  42 o 121.1538 1.325183  146.3205       3.196651  155.2998       4.801147  139.1702       4.284359  6.624573       2.650367  
1 1 1 -8  7  43 o 83.44836 1.381718  69.83047       2.306018  69.64035       3.252148  70.02273       3.270331  -0.2278137     2.763437  
1 1 1 -8  7  44 f 55.76511 0.7614505 30.81898       0.8436634 33.76278       1.286196  28.59591       1.117708  4.625610       1.522901  
1 1 1 -8  7  45 o 29.73301 0.7130200 8.861533       0.4224470 7.928540       0.5935935 9.819044       0.6013423 -3.178785      1.426040  
1 1 1 -8  7  46 o 32.63902 0.6992194 10.60445       0.4547625 11.33750       0.6795755 10.00996       0.6119844 2.030354       1.398439  
1 1 1 -8  7  47 o 57.72367 0.7835554 33.18482       0.9013574 35.45486       1.345989  31.33914       1.213678  3.556961       1.567111  
1 1 1 -8  7  48 o 71.11940 0.8837360 50.61825       1.255858  51.96384       1.823741  49.40474       1.731917  1.792152       1.767472  
1 1 1 -8  7  49 o 56.31148 0.7849086 31.58187       0.8806897 33.84900       1.316795  29.74700       1.184630  3.631912       1.569817  
1 1 1 -8  7  50 o 25.38379 0.7949443 6.449339       0.4032528 6.604753       0.5844558 6.308135       0.5570983 0.5819588      1.589889  
1 1 1 -8  7  51 o 55.87992 0.7974219 31.19304       0.8892146 32.71479       1.311799  29.89939       1.209500  2.509628       1.594844  
1 1 1 -8  7  52 o 42.74202 0.7602155 18.31480       0.6491186 17.22523       0.9143226 19.42203       0.9217066 -2.569115      1.520431  
1 1 1 -8  7  53 o 23.33479 1.173838  5.337186       0.4876809 5.775675       0.9517506 5.181067       0.5679000 1.213915       2.347675  
1 1 1 -8  7  54 o 35.70520 1.149438  12.76140       0.8172126 13.39632       1.225209  12.25255       1.096842  1.580208       2.298877  
1 1 1 -8  7  55 o 44.69044 0.9571359 20.04299       0.8159570 20.02098       1.011810  20.08393       1.379877  -0.1653671E-01 1.914272  
1 1 1 -8  7  56 o 38.38274 0.7951329 14.65890       0.6073739 15.98210       0.9163588 13.62212       0.8111452 3.059620       1.590266  
1 1 1 -8  7  57 o 19.07897 1.253898  3.680004       0.4763881 3.295356       0.6748322 4.062114       0.6726024 -2.009930      2.507795  
1 1 1 -8  7  58 o 23.83430 1.901793  5.945868       0.7662149 6.089525       0.8815286 5.501993       1.549537  1.467575       3.803586  
1 1 1 -8  7  59 f 21.70808 2.721876  4.815732       1.181734  4.815732       1.181734  ?              ?         ?              ?         
1 1 1 -8  7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  8  1  o 62.70808 0.7448143 39.20567       0.9321497 41.09366       1.373580  37.59390       1.269125  2.790359       1.489629  
1 1 1 -8  8  2  o 254.6028 2.661578  648.4795       13.55264  650.3544       19.23617  646.6315       19.09725  0.7303467      5.323155  
1 1 1 -8  8  3  o 461.4326 4.785862  2131.908       44.16507  2121.371       62.10818  2142.687       62.81549  -2.302856      9.571725  
1 1 1 -8  8  4  o 445.6696 4.632627  1987.482       41.27169  1953.222       57.28926  2024.446       59.50791  -7.969696      9.265253  
1 1 1 -8  8  5  o 195.8871 2.053433  383.7917       8.044464  385.8044       11.44147  381.8239       11.31280  1.015457       4.106867  
1 1 1 -8  8  6  o 482.2028 5.010946  2284.235       47.51163  2103.577       60.90351  2565.118       75.94104  -47.70160      10.02189  
1 1 1 -8  8  7  o 497.5361 5.190678  2470.087       51.49731  2366.329       69.66736  2595.073       76.46239  -22.91367      10.38136  
1 1 1 -8  8  8  o 215.4762 2.251308  464.3771       9.700908  468.4505       13.84778  460.4516       13.59405  1.854874       4.502616  
1 1 1 -8  8  9  o 111.3163 1.321038  116.6982       2.731582  105.8279       3.239287  143.4543       5.082051  -16.89527      2.642075  
1 1 1 -8  8  10 f 218.9356 2.292980  479.2469       10.03493  472.4503       13.92696  486.5857       14.47178  -3.225311      4.585960  
1 1 1 -8  8  11 o 223.8458 2.876956  497.0737       11.98628  512.9944       21.45148  489.8466       14.45300  5.122574       5.753911  
1 1 1 -8  8  12 o 204.8785 3.031800  419.6033       12.41184  410.5861       17.12541  429.5807       18.01428  -4.628754      6.063599  
1 1 1 -8  8  13 o 57.83659 0.9861414 33.44957       1.140558  33.66866       1.628042  33.23838       1.598352  0.3718987      1.972283  
1 1 1 -8  8  14 f 72.88793 1.178294  51.15371       1.671192  45.19366       2.090269  61.71344       2.782295  -11.32997      2.356589  
1 1 1 -8  8  15 o 182.4070 2.341671  333.5092       8.084899  334.8359       9.950846  330.9322       13.86813  1.097824       4.683343  
1 1 1 -8  8  16 o 127.3163 1.366266  161.2359       3.462908  153.4870       4.638173  170.9957       5.205333  -6.873474      2.732533  
1 1 1 -8  8  17 o 129.4984 1.699026  167.7386       4.148994  167.7180       5.081676  167.7798       7.185657  -0.1086426E-01 3.398052  
1 1 1 -8  8  18 o 203.1359 3.014236  412.9536       12.24292  407.9209       17.08654  418.2636       17.55101  -2.540024      6.028472  
1 1 1 -8  8  19 o 95.04483 1.492173  90.33534       2.835940  91.65388       4.058691  89.07747       3.964227  1.354729       2.984346  
1 1 1 -8  8  20 o 454.4547 6.699192  2077.893       60.87582  2054.032       85.01760  2103.000       87.20698  -5.313934      13.39838  
1 1 1 -8  8  21 o 65.65322 1.114962  43.09624       1.463637  43.76507       2.099139  42.46343       2.041841  0.9909515      2.229924  
1 1 1 -8  8  22 o 264.9551 3.366931  708.9515       17.06319  684.0424       28.41054  723.0062       21.34088  -7.497131      6.733862  
1 1 1 -8  8  23 o 204.7697 2.147837  417.2820       8.753432  396.8752       11.70844  443.1420       13.18030  -11.27516      4.295675  
1 1 1 -8  8  24 o 255.9274 2.671753  655.7476       13.67049  646.3365       19.02772  665.7879       19.65346  -3.787033      5.343507  
1 1 1 -8  8  25 o 70.66402 0.8344719 49.52643       1.172546  53.72920       1.778182  46.29307       1.559680  5.260155       1.668944  
1 1 1 -8  8  26 o 105.6410 1.157146  111.5316       2.443213  108.9981       3.381236  114.2995       3.534296  -2.507782      2.314291  
1 1 1 -8  8  27 o 174.0014 1.836131  303.0027       6.389749  302.3135       9.017461  303.6976       9.055598  -0.3971405     3.672263  
1 1 1 -8  8  28 o 129.0257 1.387136  166.5558       3.579493  166.0874       5.049579  167.0289       5.074850  -0.3645172     2.774271  
1 1 1 -8  8  29 o 167.3273 1.773201  279.3382       5.918100  268.9554       8.024781  291.7183       8.762742  -6.789459      3.546402  
1 1 1 -8  8  30 o 95.48162 1.065872  91.19699       2.035411  90.94135       2.872438  91.45480       2.884613  -0.2687378     2.131744  
1 1 1 -8  8  31 o 249.3372 2.608372  622.0646       12.99030  605.3438       17.83374  640.9642       18.96007  -7.110229      5.216744  
1 1 1 -8  8  32 f 117.2508 1.275747  137.2138       2.985629  142.6995       4.393039  132.5050       4.070066  4.342278       2.551495  
1 1 1 -8  8  33 o 21.24784 0.7565528 4.474197       0.3200088 5.057205       0.4792080 4.004960       0.4299157 2.475590       1.513106  
1 1 1 -8  8  34 o 72.37242 0.8633025 52.04454       1.243437  55.82838       1.874563  49.07158       1.661604  4.665108       1.726605  
1 1 1 -8  8  35 o 161.8766 1.720885  262.4150       5.570813  260.1061       7.808942  264.8078       7.949580  -1.447723      3.441771  
1 1 1 -8  8  36 o 61.99294 0.7849895 38.18046       0.9693651 35.56067       1.301484  41.44452       1.452731  -4.742901      1.569979  
1 1 1 -8  8  37 o 52.55695 0.7219068 26.95692       0.7476068 31.66362       1.188677  23.87667       0.9616093 7.403828       1.443814  
1 1 1 -8  8  38 o 136.2182 1.468102  185.8705       3.999029  183.7764       5.596232  188.0555       5.716651  -1.565094      2.936203  
1 1 1 -8  8  39 o 47.68749 0.6926558 22.69414       0.6597592 21.57692       0.9056868 23.95730       0.9630321 -2.494457      1.385312  
1 1 1 -8  8  40 o 88.22293 1.010477  77.83410       1.781544  75.73026       2.460703  80.15172       2.582688  -2.500786      2.020953  
1 1 1 -8  8  41 o 136.5826 1.476954  186.6972       4.028003  180.8889       5.511273  193.3574       5.901656  -4.538254      2.953909  
1 1 1 -8  8  42 o 29.58251 0.7005187 8.745563       0.4129975 7.769160       0.5725805 9.804440       0.5962728 -3.439186      1.401037  
1 1 1 -8  8  43 o 76.27560 1.305820  57.15148       1.961629  64.99731       3.120773  52.02680       2.522178  8.460205       2.611640  
1 1 1 -8  8  44 o 15.04586 0.9974127 2.275194       0.2987774 2.171860       0.4379080 2.365192       0.4086751 -0.6441765     1.994825  
1 1 1 -8  8  45 o 61.50072 0.8001572 37.54208       0.9783935 40.84087       1.485223  35.01310       1.300432  4.727718       1.600314  
1 1 1 -8  8  46 o 24.63047 0.7639217 6.116289       0.3736199 5.567234       0.5452620 6.602240       0.5129718 -2.102819      1.527843  
1 1 1 -8  8  47 o 86.02471 1.007356  74.13517       1.732223  75.41885       2.498735  72.94746       2.403504  1.428513       2.014712  
1 1 1 -8  8  48 o 57.64159 0.7904975 32.62811       0.8998545 37.41104       1.416255  29.38999       1.165308  6.939449       1.580995  
1 1 1 -8  8  49 o 21.38438 0.8633674 4.582288       0.3680358 4.591034       0.5431878 4.574866       0.5004033 0.3396225E-01  1.726735  
1 1 1 -8  8  50 o 8.571762 1.588215  0.7913965      0.3434154 -0.1946577     0.5927899 1.289497       0.4213170 -5.506498      3.176431  
1 1 1 -8  8  51 o 22.94856 1.308446  5.341039       0.5950219 4.877546       0.8782967 5.734231       0.8089504 -1.877514      2.616892  
1 1 1 -8  8  52 o 47.89092 1.111813  22.43934       1.045832  26.24418       1.683924  20.05014       1.334385  6.414856       2.223625  
1 1 1 -8  8  53 o 59.62367 0.8314323 35.59066       0.9903906 36.80938       1.442011  34.50246       1.362607  1.925373       1.662865  
1 1 1 -8  8  54 f 43.68722 0.7726184 19.14211       0.6743075 18.02427       0.9505103 20.27467       0.9567502 -2.574867      1.545237  
1 1 1 -8  8  55 o 18.76369 1.071918  3.580841       0.3953155 2.826008       0.5596372 4.332570       0.5584857 -4.014765      2.143836  
1 1 1 -8  8  56 o 6.388195 1.720507  0.1348090      0.3490824 -0.4019065     0.5093973 0.6100306      0.4793279 -3.054124      3.441014  
1 1 1 -8  8  57 o 25.70105 1.143154  6.727935       0.5806128 7.559544       0.7991107 5.798000       0.8450336 3.436504       2.286308  
1 1 1 -8  8  58 o 36.50016 1.500670  13.59032       0.9827288 13.71971       1.161157  13.26365       1.844983  0.8230972      3.001340  
1 1 1 -8  8  59 o 37.37171 1.581806  14.07638       1.182296  14.07638       1.182296  ?              ?         ?              ?         
1 1 1 -8  8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  9  1  o 348.6715 3.624652  1214.012       25.22392  1258.003       37.12028  1176.273       34.38100  11.69650       7.249304  
1 1 1 -8  9  2  o 264.7180 2.759650  699.9666       14.59065  680.5253       20.01725  722.0046       21.31217  -7.826233      5.519300  
1 1 1 -8  9  3  o 513.6906 5.337576  2643.485       54.83344  2665.598       78.10908  2621.998       76.99532  4.229828       10.67515  
1 1 1 -8  9  4  o 111.8062 1.211110  124.9316       2.706860  127.6722       3.903208  122.3923       3.757125  2.360794       2.422220  
1 1 1 -8  9  5  f 649.6059 6.781081  4226.429       87.94378  4131.974       120.2854  4334.906       128.9040  -15.48169      13.56216  
1 1 1 -8  9  6  o 319.6206 3.320505  1022.282       21.22505  1027.627       30.19095  1017.059       29.84554  1.650482       6.641010  
1 1 1 -8  9  7  o 440.6016 5.507706  1973.333       47.27360  1811.051       74.15989  2084.414       61.35544  -31.19174      11.01541  
1 1 1 -8  9  8  o 530.3817 7.096692  2831.286       74.27394  2771.358       114.1367  2875.304       97.81946  -10.08856      14.19338  
1 1 1 -8  9  9  o 439.4575 6.457336  1936.955       56.75016  1950.954       80.85905  1923.365       79.66792  3.119049       12.91467  
1 1 1 -8  9  10 f 346.6783 5.099494  1203.845       35.34769  1188.669       49.29420  1219.908       50.71443  -4.485992      10.19899  
1 1 1 -8  9  11 o 271.2444 3.994908  734.5061       21.61807  765.9927       31.94955  707.9175       29.35953  10.67624       7.989816  
1 1 1 -8  9  12 o 155.9289 2.038573  237.9358       5.810619  230.5892       6.881011  256.1945       10.84787  -8.187027      4.077146  
1 1 1 -8  9  13 o 345.5740 3.592341  1195.513       24.82744  1203.083       35.30011  1188.103       34.92550  2.163147       7.184682  
1 1 1 -8  9  14 o 44.23620 0.8926191 19.56385       0.7895969 20.00425       1.127722  19.14032       1.105914  0.9764328      1.785238  
1 1 1 -8  9  15 f 181.7988 1.911293  330.1374       6.940685  340.0543       10.12438  321.3442       9.533471  5.141708       3.822587  
1 1 1 -8  9  16 o 134.5033 1.436388  180.6972       3.859667  186.1385       5.620723  175.8421       5.309362  3.825790       2.872776  
1 1 1 -8  9  17 o 313.2295 3.257647  981.9872       20.39990  997.3234       29.34214  967.6387       28.38146  4.724701       6.515294  
1 1 1 -8  9  18 o 192.4823 2.020381  370.6454       7.776753  373.9760       11.10497  367.4402       10.89404  1.695709       4.040761  
1 1 1 -8  9  19 o 167.5845 1.768954  278.2676       5.880718  301.5065       9.032635  261.1703       7.747646  12.02264       3.537907  
1 1 1 -8  9  20 o 155.3466 1.645942  240.9151       5.104712  233.3100       6.973876  249.6929       7.492274  -5.268127      3.291884  
1 1 1 -8  9  21 o 202.7371 2.587802  415.8431       10.08088  427.8334       12.71178  395.5231       16.54837  8.031311       5.175605  
1 1 1 -8  9  22 o 44.12511 0.8144794 19.30659       0.6989937 18.78502       0.8846810 20.17317       1.140344  -1.571465      1.628959  
1 1 1 -8  9  23 o 248.4317 3.677059  618.8557       18.26478  610.8365       25.46949  627.3459       26.20688  -3.301102      7.354118  
1 1 1 -8  9  24 o 213.6288 3.170991  456.1406       13.51596  440.2043       18.37153  474.9434       19.95549  -8.090637      6.341981  
1 1 1 -8  9  25 o 155.9554 2.343912  243.3976       7.307946  239.6271       10.16298  247.4346       10.51605  -2.496689      4.687823  
1 1 1 -8  9  26 o 393.5715 5.077645  1533.794       36.75505  1621.227       67.55266  1497.026       43.80692  14.78427       10.15529  
1 1 1 -8  9  27 o 137.1486 1.796765  188.5434       4.656396  187.3592       8.017582  189.1462       5.719928  -0.6880951     3.593529  
1 1 1 -8  9  28 o 95.18912 1.060594  90.47279       2.016119  93.50169       2.949661  87.81698       2.762025  2.984123       2.121188  
1 1 1 -8  9  29 o 74.27335 0.8723989 55.00521       1.293290  52.59425       1.761751  57.82291       1.904562  -3.518578      1.744798  
1 1 1 -8  9  30 o 250.1593 2.616988  626.1653       13.07583  609.3842       17.94644  645.1544       19.09056  -7.116257      5.233976  
1 1 1 -8  9  31 o 152.5772 1.624349  232.2944       4.944067  242.5353       7.312466  223.6708       6.710225  6.170151       3.248698  
1 1 1 -8  9  32 f 53.51718 0.7289808 28.50602       0.7775369 30.28330       1.159987  27.05600       1.047763  3.014053       1.457962  
1 1 1 -8  9  33 o 99.36467 1.107560  97.46334       2.178437  90.15265       2.845338  107.8185       3.386357  -8.879845      2.215121  
1 1 1 -8  9  34 f 98.08257 1.094800  96.23293       2.147092  97.43249       3.077369  95.09512       2.997115  1.189964       2.189600  
1 1 1 -8  9  35 o 41.90160 0.6630949 17.55413       0.5554312 17.81029       0.8001046 17.31586       0.7716638 0.5895767      1.326190  
1 1 1 -8  9  36 o 50.77552 0.7060542 25.76301       0.7166219 24.84263       0.9947008 26.75623       1.033315  -1.883694      1.412108  
1 1 1 -8  9  37 o 56.55333 0.7468548 31.62244       0.8381771 34.97881       1.286933  29.14987       1.104576  5.149399       1.493710  
1 1 1 -8  9  38 o 128.3332 1.390671  164.9748       3.569040  163.4647       5.005220  166.5368       5.090633  -1.192917      2.781342  
1 1 1 -8  9  39 o 48.04576 0.7015616 23.01899       0.6727750 24.29956       0.9908107 21.92347       0.9164316 2.470734       1.403123  
1 1 1 -8  9  40 o 53.02522 0.7331753 27.73972       0.7707736 31.15755       1.189829  25.26831       1.011768  5.547405       1.466351  
1 1 1 -8  9  41 o 72.43242 0.8781686 52.51707       1.272128  52.03501       1.793096  53.00560       1.805085  -0.6695023     1.756337  
1 1 1 -8  9  42 o 35.68765 0.6970783 12.55943       0.4923933 10.31306       0.6571707 15.43467       0.7434896 -7.172451      1.394157  
1 1 1 -8  9  43 o 154.5587 1.659914  239.8602       5.130015  236.8865       7.167099  242.9842       7.346087  -1.955978      3.319828  
1 1 1 -8  9  44 f 29.87987 0.7161098 8.951539       0.4256590 7.803350       0.5960815 10.14627       0.6080420 -3.920006      1.432220  
1 1 1 -8  9  45 o 25.32589 0.7436466 6.443300       0.3747343 5.693956       0.5301250 7.191679       0.5297840 -2.956919      1.487293  
1 1 1 -8  9  46 o 88.29676 1.026281  78.12454       1.811783  78.95318       2.600165  77.34254       2.525944  0.9060669      2.052562  
1 1 1 -8  9  47 o 42.59315 0.7200676 18.07994       0.6108568 19.05868       0.9148632 17.29255       0.8205723 2.067364       1.440135  
1 1 1 -8  9  48 o 25.50811 1.011316  6.474825       0.4731932 6.652396       0.8682861 6.399807       0.5643645 0.4649982      2.022632  
1 1 1 -8  9  49 o 31.00273 1.101961  9.672594       0.6736859 7.668920       0.9335709 11.84968       0.9731315 -6.738005      2.203922  
1 1 1 -8  9  50 o 37.28619 0.8974406 13.74825       0.6443624 13.26019       0.8021333 14.63620       1.081944  -1.816090      1.794881  
1 1 1 -8  9  51 o 38.66021 0.7537907 14.92981       0.5810643 15.55358       0.8623791 14.41116       0.7863688 1.470177       1.507581  
1 1 1 -8  9  52 o 66.51151 0.8725846 44.28462       1.158946  45.78906       1.696499  42.96817       1.586972  2.107613       1.745169  
1 1 1 -8  9  53 o 10.94060 1.566056  1.308295       0.3386028 0.6207348      0.4896847 1.938234       0.4687167 -5.881859      3.132111  
1 1 1 -8  9  54 o 30.44506 0.8187774 9.272246       0.4963740 9.538681       0.7417651 9.056185       0.6679767 0.7831860      1.637555  
1 1 1 -8  9  55 o 8.006227 1.855714  0.5522406      0.3520373 0.9476998      0.5538129 0.2841051      0.4560256 3.063838       3.711428  
1 1 1 -8  9  56 o 20.97630 1.204807  4.585089       0.4843709 5.117355       0.6265492 3.794469       0.7636164 3.181734       2.409615  
1 1 1 -8  9  57 o 9.476527 2.119076  0.9103972      0.4501721 0.9664037      0.6240893 0.8496475      0.6499786 0.4176884      4.238153  
1 1 1 -8  9  58 o 8.618965 2.204096  0.6434066      0.4907776 0.5117856      0.7288269 0.7526031      0.6638442 -0.6177197     4.408191  
1 1 1 -8  9  59 f 7.610700 3.109149  0.2397673      0.7508212 0.2397673      0.7508212 ?              ?         ?              ?         
1 1 1 -8  9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  9  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  10 1  o 133.9465 1.433471  179.4181       3.839824  177.3841       5.386341  181.5200       5.475418  -1.543472      2.866942  
1 1 1 -8  10 2  o 148.6492 1.575029  219.4487       4.655007  207.5633       6.193723  234.8769       7.056728  -9.183502      3.150059  
1 1 1 -8  10 3  o 68.17755 0.7963453 46.33322       1.083287  44.41640       1.471855  48.59883       1.600175  -3.067024      1.592691  
1 1 1 -8  10 4  o 580.8723 7.446325  3370.236       80.77605  3440.871       143.2195  3337.287       97.81862  7.989807       14.89265  
1 1 1 -8  10 5  o 322.0089 4.733051  1035.450       30.39726  997.3575       41.19907  1080.962       45.03273  -12.93082      9.466103  
1 1 1 -8  10 6  o 245.0880 3.621002  593.8430       17.55519  554.2368       22.89828  650.3139       27.34226  -19.55484      7.242004  
1 1 1 -8  10 7  o 522.4263 7.680684  2739.413       80.17349  2677.502       110.5078  2808.211       116.4938  -12.37683      15.36137  
1 1 1 -8  10 8  o 291.9131 3.700097  859.2528       20.66666  874.7947       25.84515  831.6929       34.41647  7.475464       7.400194  
1 1 1 -8  10 9  o 269.0045 2.804096  721.8083       15.04346  695.3029       20.37980  753.5402       22.29880  -10.80804      5.608192  
1 1 1 -8  10 10 o 350.7828 3.644515  1231.846       25.56641  1240.513       36.44513  1223.448       35.87436  2.425659       7.289029  
1 1 1 -8  10 11 o 546.6538 5.682105  2992.051       62.02880  3092.008       90.76633  2904.463       84.96475  17.04291       11.36421  
1 1 1 -8  10 12 o 378.4620 3.931233  1433.913       29.74507  1412.025       41.38493  1457.305       42.78157  -5.962463      7.862466  
1 1 1 -8  10 13 o 381.6636 4.584265  1449.978       34.78532  1548.503       52.73585  1374.094       46.28143  22.73508       9.168530  
1 1 1 -8  10 14 f 223.1927 2.333158  498.2758       10.41152  505.5949       14.95340  491.3891       14.50505  3.178070       4.666317  
1 1 1 -8  10 15 o 63.54345 0.7613996 40.32959       0.9667361 41.51371       1.404428  39.26329       1.332730  1.770535       1.522799  
1 1 1 -8  10 16 o 87.40370 0.9775072 75.09294       1.686171  84.31907       2.657944  68.87914       2.181295  8.830284       1.955014  
1 1 1 -8  10 17 o 124.2089 1.338816  153.9466       3.318855  148.9385       4.521764  159.7954       4.886575  -4.367882      2.677632  
1 1 1 -8  10 18 o 83.91734 0.9553262 66.16024       1.531055  85.08396       2.697102  57.16276       1.859751  16.63162       1.910652  
1 1 1 -8  10 19 o 294.3687 3.065529  867.9428       18.04781  869.5608       25.57431  866.3378       25.47292  0.5455322      6.131057  
1 1 1 -8  10 20 o 153.8966 1.631875  236.7813       5.019529  241.7840       7.257294  232.1933       6.950043  3.112503       3.263749  
1 1 1 -8  10 21 f 198.4090 2.083188  393.6443       8.259543  385.1506       11.40493  403.0124       11.97762  -4.492142      4.166376  
1 1 1 -8  10 22 o 130.8444 1.401428  171.2721       3.667263  170.4192       5.161498  172.1416       5.211449  -0.6576080     2.802856  
1 1 1 -8  10 23 f 47.93331 0.6510853 22.71266       0.6201360 20.68517       0.8219540 25.39171       0.9448401 -4.908829      1.302171  
1 1 1 -8  10 24 f 121.1657 1.309025  146.8579       3.172013  145.9980       4.458654  147.7392       4.513659  -0.7179642     2.618050  
1 1 1 -8  10 25 o 348.7119 3.632817  1218.354       25.30857  1251.111       36.83227  1189.054       34.83465  8.835907       7.265634  
1 1 1 -8  10 26 o 96.00451 1.306277  92.53431       2.376644  93.23755       2.931646  91.18601       4.059299  1.081619       2.612554  
1 1 1 -8  10 27 o 80.46426 1.315765  63.95687       2.097853  59.13742       2.749622  70.67021       3.245215  -7.160149      2.631529  
1 1 1 -8  10 28 o 252.2108 3.738538  636.2709       18.79586  610.3857       25.37972  667.7131       27.97161  -11.26390      7.477077  
1 1 1 -8  10 29 o 337.6827 4.999567  1149.010       33.75878  1161.504       48.31374  1137.091       47.19033  3.552368       9.999133  
1 1 1 -8  10 30 o 93.04471 1.482908  86.61498       2.758997  87.75703       3.949423  85.52638       3.855880  1.197021       2.965817  
1 1 1 -8  10 31 o 96.54214 1.335380  92.00457       2.386578  96.59407       4.331321  90.00369       2.859881  3.386208       2.670759  
1 1 1 -8  10 32 f 93.84976 1.287262  88.96168       2.306529  85.34498       3.850407  90.98589       2.880558  -3.024773      2.574523  
1 1 1 -8  10 33 o 81.78278 0.9496958 66.82056       1.551791  64.95289       2.136814  68.90475       2.257263  -2.414063      1.899392  
1 1 1 -8  10 34 o 139.2777 1.497299  193.8551       4.164169  187.7256       5.698595  200.8783       6.099916  -4.708862      2.994598  
1 1 1 -8  10 35 o 62.76067 0.7879739 39.37001       0.9885831 38.26656       1.371941  40.56171       1.425746  -1.827469      1.575948  
1 1 1 -8  10 36 o 41.38265 0.6641737 17.12708       0.5494189 17.26125       0.7912111 17.00214       0.7635199 0.3125305      1.328347  
1 1 1 -8  10 37 o 37.82187 0.6617677 14.31140       0.5003919 13.79222       0.7048342 14.83900       0.7105222 -1.383701      1.323535  
1 1 1 -8  10 38 o 22.13471 0.7412990 4.912387       0.3249331 4.052164       0.4519139 5.833105       0.4675339 -4.022541      1.482598  
1 1 1 -8  10 39 o 131.6320 1.425663  173.6768       3.752687  175.3535       5.363158  172.0683       5.252766  1.240982       2.851326  
1 1 1 -8  10 40 o 24.15012 0.7365268 5.847253       0.3539830 5.131166       0.4965743 6.587088       0.5047406 -3.014036      1.473054  
1 1 1 -8  10 41 o 78.48758 0.9298498 61.31035       1.453072  65.45891       2.183825  58.01448       1.946499  4.731079       1.859700  
1 1 1 -8  10 42 o 148.2892 3.229923  223.3099       9.575068  218.8598       13.30387  228.0923       13.79169  -3.026688      6.459846  
1 1 1 -8  10 43 o 38.84883 0.7013660 14.80206       0.5390652 17.31468       0.8405311 13.04648       0.7025868 5.487423       1.402732  
1 1 1 -8  10 44 o 89.68719 1.035859  80.57733       1.857639  79.12958       2.593332  82.10302       2.662218  -1.652664      2.071717  
1 1 1 -8  10 45 o 83.48325 1.208147  70.40334       1.908412  68.35667       3.256497  71.47391       2.355227  -1.946236      2.416294  
1 1 1 -8  10 46 o 24.63202 1.205114  6.276030       0.5751917 4.778936       0.8475310 7.554363       0.7831645 -5.640104      2.410228  
1 1 1 -8  10 47 o 50.89329 1.077936  25.75978       1.089183  27.75469       1.664922  24.26726       1.440098  3.403362       2.155873  
1 1 1 -8  10 48 o 11.68411 1.404353  1.372288       0.3173015 1.715233       0.4809839 1.108042       0.4222042 2.759775       2.808707  
1 1 1 -8  10 49 o 83.72872 0.9994838 70.31895       1.673433  70.73769       2.391388  69.91713       2.342550  0.4845428      1.998968  
1 1 1 -8  10 50 o 57.13206 0.8059983 32.72296       0.9206719 32.30292       1.313455  33.12869       1.290892  -0.7249222     1.611997  
1 1 1 -8  10 51 o 54.55077 0.7939253 29.82965       0.8659937 29.79633       1.237395  29.86164       1.212388  -0.6252289E-01 1.587851  
1 1 1 -8  10 52 o 30.09480 0.7979327 9.113635       0.4779440 8.122673       0.6784607 10.08986       0.6733975 -3.268879      1.595865  
1 1 1 -8  10 53 o 27.30792 0.8470702 7.464924       0.4614449 7.672920       0.6811281 7.288476       0.6273476 0.6972160      1.694140  
1 1 1 -8  10 54 o 51.63665 0.8080022 26.62490       0.8325354 24.53626       1.135973  29.04849       1.223678  -4.357506      1.616004  
1 1 1 -8  10 55 o 13.29722 1.536460  1.784466       0.3794205 2.868550       0.5846134 0.9955152      0.4987261 7.153152       3.072920  
1 1 1 -8  10 56 o 39.80260 0.9667501 15.86413       0.7401798 15.72030       0.9256349 16.11921       1.232662  -0.4473114     1.933500  
1 1 1 -8  10 57 o 44.21357 1.104230  19.64827       0.9755571 18.83970       1.345678  20.54398       1.416324  -1.911797      2.208461  
1 1 1 -8  10 58 o 82.87304 1.453110  69.42015       2.404510  72.40623       3.525783  66.82377       3.287673  3.291550       2.906220  
1 1 1 -8  10 59 o 17.03430 3.476099  3.111762       1.143262  3.111762       1.143262  ?              ?         ?              ?         
1 1 1 -8  10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  11 1  o 141.2593 1.838904  198.7094       4.871679  202.1868       8.564608  197.0462       5.923264  1.802994       3.677808  
1 1 1 -8  11 2  o 264.7036 3.899243  701.5449       20.63894  693.7325       28.85150  709.7327       29.53629  -3.013153      7.798486  
1 1 1 -8  11 3  f 351.5667 5.169302  1237.974       36.31609  1266.574       52.67123  1212.056       50.13966  7.709137       10.33860  
1 1 1 -8  11 4  o 280.6425 4.130638  787.9406       23.16040  769.2966       31.89406  808.7397       33.68694  -7.002136      8.261275  
1 1 1 -8  11 5  o 227.4001 2.887592  521.7338       12.57608  532.6006       15.75716  502.6650       20.87311  6.632095       5.775184  
1 1 1 -8  11 6  o 154.3907 1.633263  238.3552       5.041953  241.4960       7.228062  235.3786       7.036588  1.980042       3.266526  
1 1 1 -8  11 7  o 236.5500 2.469451  559.8992       11.68289  558.9263       16.48487  560.8810       16.55958  -0.4125366     4.938903  
1 1 1 -8  11 8  o 369.4661 3.842983  1365.553       28.36632  1334.926       39.05268  1399.759       41.27127  -8.742554      7.685966  
1 1 1 -8  11 9  o 160.5482 1.695935  257.7833       5.444671  255.0547       7.616359  260.6350       7.786308  -1.736801      3.391870  
1 1 1 -8  11 10 o 293.6708 3.056726  862.9934       17.94746  850.7573       24.99802  876.0104       25.78327  -4.289948      6.113452  
1 1 1 -8  11 11 o 37.84480 0.6348339 13.47023       0.4618461 11.44369       0.5656034 17.52504       0.8000548 -8.033962      1.269668  
1 1 1 -8  11 12 o 65.98912 0.8530604 42.92370       1.097223  46.26801       1.790782  40.91362       1.388344  4.055496       1.706121  
1 1 1 -8  11 13 o 91.88802 1.022498  83.98914       1.871256  79.75956       2.511617  89.26607       2.805399  -5.171455      2.044996  
1 1 1 -8  11 14 o 79.31015 0.9035372 62.21960       1.421756  57.79656       1.872776  68.23663       2.184319  -6.580376      1.807074  
1 1 1 -8  11 15 o 101.4298 1.220715  101.4464       2.407357  97.01442       3.034988  108.9659       3.953230  -5.885513      2.441431  
1 1 1 -8  11 16 o 244.3678 2.552204  597.7797       12.47347  599.1436       17.67485  596.4263       17.60564  0.5549927      5.104407  
1 1 1 -8  11 17 o 380.0233 3.951950  1448.131       30.03663  1447.177       42.44551  1449.088       42.51100  -0.2497864     7.903900  
1 1 1 -8  11 18 o 241.3690 2.522983  582.9083       12.17213  572.4797       16.86964  594.2341       17.58032  -4.494232      5.045965  
1 1 1 -8  11 19 o 100.0880 1.102045  99.54336       2.194892  106.5405       3.311031  94.05811       2.931583  6.232536       2.204090  
1 1 1 -8  11 20 o 172.5038 1.820312  297.3197       6.271520  306.4845       9.162073  289.2395       8.602854  4.990265       3.640624  
1 1 1 -8  11 21 f 215.3896 2.256730  464.2146       9.717203  456.7168       13.50318  472.2678       13.99438  -3.601135      4.513460  
1 1 1 -8  11 22 f 181.2640 1.911070  327.9321       6.912107  316.4636       9.399926  341.4341       10.19933  -6.876007      3.822141  
1 1 1 -8  11 23 f 230.7240 2.414805  532.7928       11.13844  541.6170       16.03093  524.5569       15.48741  3.686371       4.829610  
1 1 1 -8  11 24 o 250.6951 2.619503  628.3204       13.11161  649.7633       19.22381  609.6688       17.92907  7.966766       5.239006  
1 1 1 -8  11 25 o 190.2874 2.002522  362.4590       7.620891  360.9032       10.73063  364.0423       10.82513  -0.8230896     4.005044  
1 1 1 -8  11 26 o 152.7697 1.624487  232.4955       4.944407  245.1819       7.390212  222.2150       6.652691  7.505081       3.248974  
1 1 1 -8  11 27 o 85.90765 0.9756309 73.54065       1.671670  70.24110       2.264425  77.49262       2.478211  -4.218323      1.951262  
1 1 1 -8  11 28 o 152.8139 1.626419  232.4836       4.948723  246.3006       7.429665  221.4652       6.634711  8.111465       3.252838  
1 1 1 -8  11 29 o 54.89723 0.7295552 29.74640       0.7948530 27.05241       1.047688  33.39996       1.220089  -5.779762      1.459110  
1 1 1 -8  11 30 o 164.0515 1.741897  269.3589       5.713528  273.2871       8.200795  265.6537       7.964675  2.320709       3.483794  
1 1 1 -8  11 31 o 87.85948 1.231432  76.44701       2.013327  75.10744       2.425566  79.41438       3.610068  -2.428123      2.462864  
1 1 1 -8  11 32 o 38.73953 0.8544284 15.11765       0.6532041 15.72927       0.8666872 14.31336       0.9938556 1.829384       1.708857  
1 1 1 -8  11 33 o 59.33477 1.086719  34.62207       1.274962  39.26954       1.994794  31.41237       1.657761  6.613197       2.173438  
1 1 1 -8  11 34 o 89.18830 1.437389  79.64896       2.563694  80.22890       3.657273  79.08868       3.594755  0.6370544      2.874778  
1 1 1 -8  11 35 o 150.4383 2.282647  227.2052       6.866195  230.2718       9.844938  224.3009       9.580976  1.967178       4.565294  
1 1 1 -8  11 36 o 60.04332 1.097873  36.02158       1.316546  37.38385       1.924872  34.82412       1.804687  2.127209       2.195745  
1 1 1 -8  11 37 o 116.4384 1.575307  134.1429       3.390582  140.5580       6.165881  131.3623       4.059438  3.831787       3.150613  
1 1 1 -8  11 38 f 70.91751 0.8619631 50.27690       1.221715  48.70039       1.689672  52.00403       1.768558  -2.326271      1.723926  
1 1 1 -8  11 39 o 51.64975 0.7239925 26.62470       0.7468914 25.16324       1.025980  28.27242       1.089398  -3.007740      1.447985  
1 1 1 -8  11 40 o 74.15784 0.8928973 54.91122       1.321657  57.26134       1.944916  52.89487       1.801521  2.937576       1.785795  
1 1 1 -8  11 41 f 57.11562 0.8511482 32.65149       0.9646606 32.60465       1.285837  32.71178       1.458980  -0.8580017E-01 1.702296  
1 1 1 -8  11 42 o 31.44111 0.7006868 9.691397       0.4360067 11.47509       0.6773139 8.429232       0.5697546 4.839300       1.401374  
1 1 1 -8  11 43 o 69.42021 1.224560  48.26510       1.698949  46.44062       2.349605  50.26426       2.459515  -2.744637      2.449121  
1 1 1 -8  11 44 o 95.75123 1.547808  91.73936       2.955908  87.17169       4.002845  97.21740       4.383629  -5.203720      3.095616  
1 1 1 -8  11 45 o 55.14574 0.9427239 29.77499       0.9730282 28.57127       1.172505  32.43785       1.743919  -3.461937      1.885448  
1 1 1 -8  11 46 o 17.81198 0.9420377 3.122604       0.3305364 4.005095       0.5024999 2.449551       0.4388390 4.361195       1.884075  
1 1 1 -8  11 47 o 49.49690 0.7481337 24.27663       0.7359090 26.90093       1.120582  22.28652       0.9758332 4.650143       1.496267  
1 1 1 -8  11 48 o 44.02142 0.7357498 19.36309       0.6463318 20.09577       0.9526408 18.73816       0.8798006 1.536179       1.471500  
1 1 1 -8  11 49 o 48.42861 0.7578880 23.45494       0.7322169 24.08674       1.080259  22.91797       0.9958993 1.199078       1.515776  
1 1 1 -8  11 50 o 44.10873 0.7567088 19.49548       0.6664490 19.52311       0.9710797 19.47088       0.9163060 0.5379105E-01  1.513418  
1 1 1 -8  11 51 o 74.97614 0.9378693 55.66866       1.392805  61.60944       2.158737  51.43207       1.823000  6.744011       1.875739  
1 1 1 -8  11 52 o 12.08709 1.461618  1.501308       0.3416554 1.467241       0.5190596 1.527351       0.4538306 -0.4569101     2.923236  
1 1 1 -8  11 53 o 21.79203 0.9455174 4.790792       0.4094017 4.527507       0.6045320 5.013835       0.5564188 -1.122902      1.891035  
1 1 1 -8  11 54 o 29.74359 0.8453025 8.898568       0.4999327 7.730274       0.7014194 10.10488       0.7127398 -3.990126      1.690605  
1 1 1 -8  11 55 o 75.33318 0.9578506 56.99577       1.442944  55.84044       2.021027  58.19705       2.060817  -1.557350      1.915701  
1 1 1 -8  11 56 o 33.33213 1.101565  11.18066       0.7342306 10.96873       1.027425  11.40185       1.049649  -0.6449585     2.203129  
1 1 1 -8  11 57 o 15.68368 1.724214  2.517409       0.5264671 2.923434       0.7780915 2.174578       0.7149798 2.570219       3.448427  
1 1 1 -8  11 58 o 15.40401 2.543697  2.514786       0.6941907 2.533495       0.7967495 2.455822       1.414438  0.7128239      5.087394  
1 1 1 -8  11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  11 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  12 1  o 189.5818 2.430868  360.2800       8.722760  361.5508       10.73456  357.8099       14.96596  1.031418       4.861735  
1 1 1 -8  12 2  o 402.0998 4.181739  1619.956       33.62312  1602.091       47.00230  1638.678       48.11786  -4.529083      8.363478  
1 1 1 -8  12 3  o 299.5410 3.116757  898.1867       18.66961  906.1589       26.65535  890.5096       26.15733  2.605438       6.233514  
1 1 1 -8  12 4  o 245.6525 2.568410  603.9343       12.61860  605.2547       17.89269  602.6277       17.79848  0.5336456      5.136820  
1 1 1 -8  12 5  o 167.5259 1.773460  280.6949       5.940839  283.7967       8.502977  277.7366       8.303793  1.807129       3.546919  
1 1 1 -8  12 6  o 170.6078 1.799577  291.1289       6.139435  294.3338       8.778634  288.0606       8.589405  1.836990       3.599155  
1 1 1 -8  12 7  o 88.75454 0.9934160 78.53388       1.759257  82.29104       2.598135  75.35268       2.390718  3.907791       1.986832  
1 1 1 -8  12 8  o 155.8772 1.649716  243.0097       5.142093  240.4209       7.188946  245.7217       7.358039  -1.699005      3.299432  
1 1 1 -8  12 9  o 404.1472 4.199795  1635.133       33.90895  1594.689       46.65623  1680.414       49.36753  -10.55096      8.399590  
1 1 1 -8  12 10 o 330.3083 3.435459  1092.698       22.69228  1101.820       32.40233  1083.917       31.78990  2.699615       6.870919  
1 1 1 -8  12 11 o 164.5843 2.012505  270.8185       6.619477  265.7043       9.151710  276.4299       9.586102  -3.253876      4.025009  
1 1 1 -8  12 12 o 420.7602 4.377114  1775.555       36.83346  1779.316       52.29171  1771.851       51.89135  0.8776245      8.754229  
1 1 1 -8  12 13 o 68.70908 0.8104458 47.10476       1.111997  45.32320       1.522079  49.14417       1.628513  -2.780052      1.620892  
1 1 1 -8  12 14 o 93.10020 1.037162  86.41353       1.926516  90.54556       2.846976  82.92318       2.616592  4.092186       2.074324  
1 1 1 -8  12 15 o 191.6746 2.014935  367.2700       7.717185  376.5131       11.20416  358.9268       10.64480  4.580185       4.029870  
1 1 1 -8  12 16 o 366.6884 3.831499  1348.111       28.08283  1335.914       38.97628  1361.279       40.49763  -3.417297      7.662998  
1 1 1 -8  12 17 o 171.4646 1.811965  293.6862       6.204109  285.3802       8.495943  303.1757       9.081130  -5.181122      3.623929  
1 1 1 -8  12 18 o 258.0847 2.695712  667.1110       13.91322  672.1149       19.83374  662.2631       19.52250  1.901855       5.391423  
1 1 1 -8  12 19 o 107.0272 1.169270  114.4558       2.500601  111.7636       3.449174  117.4387       3.630563  -2.649551      2.338540  
1 1 1 -8  12 20 o 146.8628 1.562596  214.9563       4.574654  225.8026       6.808395  206.0293       6.176710  6.724258       3.125193  
1 1 1 -8  12 21 o 145.5088 1.550133  211.1523       4.498906  220.8217       6.663404  203.0521       6.098842  6.098999       3.100265  
1 1 1 -8  12 22 o 173.4122 1.832394  300.8840       6.353815  297.2930       8.875363  304.6591       9.100157  -2.120300      3.664788  
1 1 1 -8  12 23 o 202.9103 2.130655  410.9102       8.623369  429.0887       12.76776  395.6620       11.69350  8.216049       4.261311  
1 1 1 -8  12 24 o 75.36649 0.8806216 56.52198       1.322499  60.09923       1.975919  53.61901       1.779981  4.297493       1.761243  
1 1 1 -8  12 25 o 202.0684 2.123167  408.8432       8.580388  409.8250       12.17070  407.8730       12.09863  0.4814453      4.246334  
1 1 1 -8  12 26 o 52.90597 0.7117479 27.88320       0.7510831 29.47419       1.113146  26.55347       1.017650  2.759556       1.423496  
1 1 1 -8  12 27 o 187.5147 1.976946  351.5194       7.404304  362.2000       10.80942  342.0781       10.16298  5.350647       3.953892  
1 1 1 -8  12 28 f 158.9869 1.690899  252.9161       5.374589  249.1590       7.478842  256.9287       7.728961  -2.438126      3.381798  
1 1 1 -8  12 29 f 57.18549 0.7446883 32.56003       0.8496196 30.55682       1.153541  34.93521       1.256085  -3.827110      1.489377  
1 1 1 -8  12 30 o 64.98080 0.8019266 42.16088       1.041146  40.53980       1.433647  43.96992       1.514481  -2.638287      1.603853  
1 1 1 -8  12 31 o 36.43069 0.6518678 13.06328       0.4706449 14.89628       0.7279665 11.74687       0.6169179 4.321140       1.303736  
1 1 1 -8  12 32 o 119.1934 1.298090  142.1294       3.092810  144.7932       4.462291  139.6666       4.290551  2.145683       2.596181  
1 1 1 -8  12 33 o 61.39169 0.7796491 37.70601       0.9572425 37.61209       1.358761  37.79855       1.348785  -0.1520538     1.559298  
1 1 1 -8  12 34 o 130.4945 1.410329  170.3486       3.676830  175.0380       5.350812  166.1536       5.060934  3.392258       2.820659  
1 1 1 -8  12 35 o 68.24164 0.8376889 46.60073       1.143258  46.48898       1.623098  46.71077       1.610596  -0.1628494     1.675378  
1 1 1 -8  12 36 o 92.75532 1.053291  85.43684       1.941924  92.20638       2.950787  80.26503       2.579166  6.423019       2.106582  
1 1 1 -8  12 37 o 9.866811 1.549447  0.8915628      0.3110643 0.4603013      0.3923667 1.621216       0.5103640 -5.700590      3.098894  
1 1 1 -8  12 38 o 35.45078 0.9388303 12.58284       0.6655759 12.51192       0.9465343 12.65221       0.9360855 -0.1983261     1.877661  
1 1 1 -8  12 39 o 107.5743 1.696659  115.6046       3.636065  109.9349       4.888225  122.6273       5.440310  -5.852470      3.393319  
1 1 1 -8  12 40 o 9.210559 3.609503  0.000000       0.000000  ?              ?         0.5083353      0.9665115 ?              ?         
1 1 1 -8  12 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  12 42 o 52.38756 1.304484  27.59450       1.295700  27.34504       2.213431  27.72455       1.598133  -0.4161530     2.608968  
1 1 1 -8  12 43 o 36.72336 0.8543083 13.88392       0.5977157 12.16178       0.9754939 14.91914       0.7563233 -3.767067      1.708617  
1 1 1 -8  12 44 f 52.95623 0.7561485 28.07034       0.8000706 28.29442       1.159469  27.86666       1.105408  0.4006042      1.512297  
1 1 1 -8  12 45 f 27.06723 0.7553617 7.316352       0.4076009 7.579861       0.6052186 7.097623       0.5514020 0.8872375      1.510723  
1 1 1 -8  12 46 o 65.85210 0.8474615 43.19043       1.110976  46.10135       1.671101  40.88481       1.487237  3.945080       1.694923  
1 1 1 -8  12 47 o 78.07487 0.9496695 61.04483       1.481840  59.10772       2.048666  63.17035       2.145995  -2.591927      1.899339  
1 1 1 -8  12 48 o 71.27060 0.9011039 50.87647       1.283731  49.23993       1.780062  52.65001       1.853079  -2.384697      1.802208  
1 1 1 -8  12 49 o 71.33362 0.9018579 51.03237       1.286350  51.11142       1.839990  50.95678       1.799048  0.1036835      1.803716  
1 1 1 -8  12 50 o 93.39680 1.093063  87.25049       2.034637  91.99258       3.033690  83.37354       2.743038  4.571075       2.186127  
1 1 1 -8  12 51 o 10.24922 1.677799  1.121706       0.3354613 0.9696232      0.5157013 1.233264       0.4416811 -1.255317      3.355597  
1 1 1 -8  12 52 f 52.44268 0.7990880 27.55120       0.8367868 28.00843       1.222634  27.14831       1.147707  0.8111038      1.598176  
1 1 1 -8  12 53 o 36.24163 0.7814896 13.18837       0.5656439 12.82655       0.8149703 13.52468       0.7857142 -0.9670677     1.562979  
1 1 1 -8  12 54 o 39.29023 0.7883088 15.47438       0.6176311 15.62205       0.9110189 15.34877       0.8401976 0.3379211      1.576618  
1 1 1 -8  12 55 o 14.07942 1.654633  2.058386       0.4440130 2.124772       0.5758039 1.961008       0.6973751 0.8438702      3.309267  
1 1 1 -8  12 56 o 37.83698 1.087350  14.38253       0.8219951 15.14903       1.194667  13.69342       1.132755  1.910076       2.174700  
1 1 1 -8  12 57 o 37.57235 1.120944  14.07312       0.8377038 16.01214       1.263222  12.55104       1.119195  4.569817       2.241889  
1 1 1 -8  12 58 o 12.87927 2.944110  1.769452       0.7421535 1.769452       0.7421535 ?              ?         ?              ?         
1 1 1 -8  12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  13 1  o 91.66040 1.017216  83.92649       1.862959  81.82326       2.567372  86.26548       2.707449  -2.422417      2.034431  
1 1 1 -8  13 2  o 238.0903 2.487896  567.4055       11.84688  567.1449       16.74649  567.6665       16.76154  -0.1093597     4.975792  
1 1 1 -8  13 3  o 183.6110 1.932167  336.8358       7.086435  328.2267       9.734849  346.5401       10.33557  -4.980759      3.864333  
1 1 1 -8  13 4  o 256.9026 2.679388  660.7098       13.76683  660.6805       19.47131  660.7391       19.46717  -0.1147461E-01 5.358777  
1 1 1 -8  13 5  o 112.2747 1.223297  125.7015       2.739831  121.0803       3.718363  131.1909       4.052589  -4.500389      2.446595  
1 1 1 -8  13 6  o 453.2637 4.710713  2061.340       42.70024  2075.885       60.86453  2047.242       59.92103  3.135223       9.421426  
1 1 1 -8  13 7  o 131.1646 1.405286  172.0680       3.686040  170.4231       5.164937  173.7753       5.262119  -1.277130      2.810573  
1 1 1 -8  13 8  o 246.7055 2.576235  609.0853       12.70772  601.3830       17.71799  617.2447       18.23608  -3.207077      5.152469  
1 1 1 -8  13 9  o 258.4120 2.696209  668.5397       13.93399  672.0909       19.82137  665.0702       19.59192  1.354767       5.392419  
1 1 1 -8  13 10 o 95.54019 1.508460  91.14665       2.878209  88.36263       3.944611  94.31645       4.209049  -3.113434      3.016921  
1 1 1 -8  13 11 o 73.64880 0.8544168 54.11834       1.256218  56.30833       1.845460  52.22738       1.714844  2.769836       1.708834  
1 1 1 -8  13 12 o 117.4118 1.271975  137.7004       2.983223  134.1537       4.099102  141.6944       4.349887  -3.209053      2.543949  
1 1 1 -8  13 13 o 70.68039 0.8370402 49.55955       1.176292  46.45683       1.564076  53.59947       1.784736  -5.051437      1.674080  
1 1 1 -8  13 14 o 55.86795 0.7726230 31.04869       0.8481986 30.34797       1.095619  32.09692       1.340020  -1.563812      1.545246  
1 1 1 -8  13 15 o 194.5898 2.044653  378.6725       7.951383  387.2856       11.51569  370.8242       10.99246  4.221222       4.089306  
1 1 1 -8  13 16 o 28.67326 0.5745022 8.221588       0.3293953 8.251397       0.4707963 8.193003       0.4610278 0.1017818      1.149004  
1 1 1 -8  13 17 o 248.8212 2.598510  620.0019       12.93039  623.9480       18.41581  616.1650       18.15956  1.558731       5.197021  
1 1 1 -8  13 18 o 271.9885 2.837025  740.5512       15.42303  755.4656       22.28936  726.8508       21.36302  5.239838       5.674049  
1 1 1 -8  13 19 o 234.0516 2.448539  547.0662       11.43501  569.4152       16.87406  528.0867       15.55005  8.802597       4.897079  
1 1 1 -8  13 20 o 405.3149 4.220741  1648.701       34.19106  1617.530       47.31915  1682.754       49.45869  -7.967773      8.441482  
1 1 1 -8  13 21 o 39.03218 0.6377824 15.20607       0.4973677 15.96587       0.7233016 14.52456       0.6850264 1.846077       1.275565  
1 1 1 -8  13 22 o 132.3504 1.420874  174.4863       3.747178  183.8998       5.594858  166.8288       5.046139  6.441849       2.841748  
1 1 1 -8  13 23 o 124.1875 1.341339  154.2907       3.331329  153.2136       4.678745  155.3982       4.744360  -0.8786545     2.682678  
1 1 1 -8  13 24 o 180.0188 1.900626  324.3522       6.841806  320.8625       9.570142  328.0004       9.784984  -1.978195      3.801251  
1 1 1 -8  13 25 o 111.7547 1.223164  124.6371       2.728479  129.7267       4.013667  120.2642       3.720314  4.229561       2.446327  
1 1 1 -8  13 26 o 178.8014 1.889242  319.9818       6.754069  324.3961       9.690991  315.8125       9.418238  2.394073       3.778485  
1 1 1 -8  13 27 o 104.0381 1.148978  108.2651       2.390261  106.9149       3.339729  109.6829       3.422470  -1.328957      2.297956  
1 1 1 -8  13 28 o 68.93713 0.8366446 46.80724       1.140616  52.34329       1.781858  42.96392       1.484657  6.798973       1.673289  
1 1 1 -8  13 29 o 111.8713 1.225887  125.2402       2.742817  125.2786       3.885737  125.2021       3.872158  0.3392029E-01  2.451775  
1 1 1 -8  13 30 o 37.81937 0.6693916 14.13233       0.5025048 12.00201       0.6731666 16.81338       0.7551820 -6.359917      1.338783  
1 1 1 -8  13 31 o 132.8630 1.432254  176.2369       3.796537  183.8506       5.609581  169.8017       5.157138  5.272400       2.864508  
1 1 1 -8  13 32 o 38.70998 0.6587093 14.98389       0.5095994 14.20112       0.7135510 15.79876       0.7280318 -2.063351      1.317419  
1 1 1 -8  13 33 o 128.2260 1.388923  164.5982       3.560245  167.4825       5.129868  161.9180       4.945107  2.162086       2.777845  
1 1 1 -8  13 34 o 21.75213 0.7486731 4.711807       0.3249083 5.074753       0.4801338 4.405200       0.4412983 1.538078       1.497346  
1 1 1 -8  13 35 o 111.8068 1.230605  125.1044       2.749907  127.7250       3.978021  122.7060       3.805616  2.236763       2.461210  
1 1 1 -8  13 36 o 43.14068 0.6819956 18.60040       0.5873825 18.96429       0.8602160 18.28251       0.8039992 0.7885170      1.363991  
1 1 1 -8  13 37 o 78.85199 1.154084  60.20365       1.645446  67.14956       3.153489  57.60506       1.928837  5.987869       2.308169  
1 1 1 -8  13 38 o 70.28111 1.212498  49.45075       1.703495  47.89861       2.365674  51.12234       2.455020  -2.288025      2.424997  
1 1 1 -8  13 39 o 57.33813 1.084795  32.82001       1.241815  30.68274       1.699493  35.26835       1.818971  -3.991753      2.169590  
1 1 1 -8  13 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  13 41 o 118.6987 1.308055  141.2486       3.103652  138.2402       4.305051  144.5045       4.478542  -2.623398      2.616109  
1 1 1 -8  13 42 o 60.74582 0.8035265 36.85179       0.9748731 35.08056       1.336850  38.86344       1.424696  -3.108753      1.607053  
1 1 1 -8  13 43 o 46.84314 0.8912250 22.11592       0.7961523 22.43636       0.9908069 21.53200       1.337506  0.9895248      1.782450  
1 1 1 -8  13 44 f 40.18792 0.9961701 16.08996       0.7982013 17.69024       1.183906  14.75632       1.080784  3.641327       1.992340  
1 1 1 -8  13 45 o 31.84067 1.018859  10.09342       0.6460158 10.97204       0.9704111 9.394133       0.8657322 2.467251       2.037719  
1 1 1 -8  13 46 o 22.13015 1.185189  4.902423       0.5230536 5.459239       0.7613907 4.404804       0.7197810 2.377159       2.370379  
1 1 1 -8  13 47 o 11.31175 1.887393  1.302131       0.4261497 1.849307       0.6476379 0.8843175      0.5659263 4.010509       3.774786  
1 1 1 -8  13 48 o 27.69300 1.061064  7.705190       0.5870061 7.277737       0.8298842 8.133197       0.8304201 -1.544474      2.122128  
1 1 1 -8  13 49 o 30.41624 0.9198516 9.239598       0.5333320 9.418905       0.9071756 9.144890       0.6593047 0.4200134      1.839703  
1 1 1 -8  13 50 o 71.05603 0.9886176 50.77926       1.386751  50.09385       2.132398  51.28159       1.825497  -0.8783493     1.977235  
1 1 1 -8  13 51 o 60.32311 0.8441083 36.41093       1.016096  37.71498       1.497545  35.29841       1.383209  1.988827       1.688217  
1 1 1 -8  13 52 o 14.68862 1.255773  2.124254       0.3646731 2.592568       0.5656946 1.791251       0.4770207 2.709284       2.511546  
1 1 1 -8  13 53 o 27.37855 0.8619299 7.555270       0.4699643 6.961489       0.6770797 8.107303       0.6528426 -2.096209      1.723860  
1 1 1 -8  13 54 o 34.28088 0.8669209 11.79264       0.5942625 11.53655       0.8310114 12.06066       0.8501436 -0.7614212     1.733842  
1 1 1 -8  13 55 o 33.81065 1.053598  11.36016       0.7065932 10.45024       0.9294244 12.60633       1.087681  -3.155365      2.107196  
1 1 1 -8  13 56 o 44.27403 1.122323  19.76774       0.9930140 19.03569       1.412335  20.48344       1.396468  -1.638847      2.244646  
1 1 1 -8  13 57 o 32.33124 1.162880  10.54000       0.7518799 10.64377       1.072081  10.43956       1.054768  0.3113556      2.325759  
1 1 1 -8  13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  13 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  14 1  o 77.16876 0.8850104 59.54881       1.365716  60.16874       1.950998  58.95314       1.912409  0.7873917      1.770021  
1 1 1 -8  14 2  o 110.0635 1.196757  121.0980       2.633083  118.9062       3.655119  123.4625       3.796379  -2.068665      2.393515  
1 1 1 -8  14 3  o 109.6779 1.192724  120.0606       2.611769  124.6321       3.832109  116.0951       3.569099  3.889725       2.385449  
1 1 1 -8  14 4  o 138.0077 1.473531  189.7207       4.052631  181.4500       5.461325  199.8560       6.045693  -6.662567      2.947062  
1 1 1 -8  14 5  o 175.3795 1.848730  307.3466       6.476759  316.2973       9.441434  299.3905       8.901439  4.813141       3.697459  
1 1 1 -8  14 6  o 39.00856 0.6010637 14.99339       0.4653926 17.25491       0.7122616 13.30856       0.6147759 5.057892       1.202127  
1 1 1 -8  14 7  o 396.4963 4.124636  1575.295       32.66803  1620.361       47.62764  1535.256       44.89271  10.65121       8.249271  
1 1 1 -8  14 8  o 202.2790 2.127103  409.4214       8.603333  403.7887       12.00965  415.3592       12.33060  -2.855011      4.254207  
1 1 1 -8  14 9  o 182.6838 1.924284  333.5138       7.022022  343.2922       10.23986  324.8333       9.647839  5.043503       3.848568  
1 1 1 -8  14 10 o 141.5028 1.515685  200.3270       4.289382  199.5811       6.042445  201.0847       6.090038  -0.5307007     3.031369  
1 1 1 -8  14 11 o 111.2967 1.211390  123.9054       2.696383  124.5213       3.832209  123.3017       3.794593  0.5475464      2.422780  
1 1 1 -8  14 12 o 64.66891 0.8439606 41.87205       1.080741  42.14980       1.433639  41.50642       1.644831  0.4988785      1.687921  
1 1 1 -8  14 13 o 138.6057 1.482543  192.1169       4.107963  189.2392       5.709481  195.2057       5.915044  -2.149918      2.965085  
1 1 1 -8  14 14 o 197.9906 2.079354  392.3185       8.232778  388.8714       11.53204  395.9014       11.75704  -1.771652      4.158708  
1 1 1 -8  14 15 o 112.0897 1.221893  125.3643       2.733658  130.4506       4.023353  121.0028       3.725731  4.211586       2.443787  
1 1 1 -8  14 16 o 195.2134 2.052907  380.7872       8.003377  393.0703       11.70364  369.9977       10.96901  5.897491       4.105814  
1 1 1 -8  14 17 o 35.75381 0.6125149 12.78466       0.4377856 12.26470       0.6160605 13.31509       0.6222304 -1.468891      1.225030  
1 1 1 -8  14 18 o 61.39494 0.7625130 37.44069       0.9321559 40.40906       1.400999  35.08279       1.248650  4.336674       1.525026  
1 1 1 -8  14 19 o 264.5984 2.763936  701.2595       14.62226  711.0426       20.98924  692.0342       20.38212  3.576569       5.527872  
1 1 1 -8  14 20 o 155.8171 1.660675  240.6042       5.135138  261.4028       7.873988  225.2113       6.773899  11.59607       3.321350  
1 1 1 -8  14 21 o 284.4825 2.968581  811.1732       16.88721  803.0641       23.61844  819.6548       24.15482  -2.899872      5.937163  
1 1 1 -8  14 22 o 56.87608 0.7384784 32.16591       0.8368315 34.47095       1.251998  30.30456       1.125069  3.661697       1.476957  
1 1 1 -8  14 23 o 166.3413 1.762516  276.5603       5.856529  269.1838       8.048735  284.8602       8.537638  -4.702454      3.525033  
1 1 1 -8  14 24 f 166.3073 1.763275  276.7038       5.862051  271.8437       8.138797  281.9432       8.450361  -3.029846      3.526551  
1 1 1 -8  14 25 o 252.2671 2.639844  637.6340       13.31169  626.5667       18.46554  649.6088       19.20753  -4.541260      5.279689  
1 1 1 -8  14 26 o 110.9099 1.214887  123.0554       2.694362  121.5280       3.766732  124.6558       3.855631  -1.408447      2.429774  
1 1 1 -8  14 27 o 117.5260 1.282238  137.4390       3.000525  130.3911       4.021214  146.2926       4.506977  -6.755081      2.564476  
1 1 1 -8  14 28 f 173.6440 1.839245  301.8966       6.385021  297.2469       8.883134  306.8666       9.183945  -2.760086      3.678490  
1 1 1 -8  14 29 o 68.94490 0.8383877 47.36337       1.153247  44.91002       1.565620  50.27358       1.705178  -3.887268      1.676775  
1 1 1 -8  14 30 o 114.2296 1.249758  130.5654       2.854322  128.5441       3.977749  132.7111       4.098186  -1.820427      2.499515  
1 1 1 -8  14 31 o 140.1692 1.505696  196.7693       4.220183  198.9370       6.041429  194.7036       5.897650  1.504272       3.011392  
1 1 1 -8  14 32 o 146.2070 1.567876  213.1851       4.566386  203.2488       6.137341  225.5069       6.834448  -7.577423      3.135753  
1 1 1 -8  14 33 o 109.3863 1.207010  119.7823       2.640045  118.0355       3.687448  121.6193       3.781504  -1.634300      2.414021  
1 1 1 -8  14 34 o 80.59699 1.142843  65.99073       1.772416  61.44736       2.881984  68.75443       2.247753  -4.560333      2.285687  
1 1 1 -8  14 35 f 85.78247 1.394632  73.65190       2.389274  75.78658       3.491549  71.77199       3.276575  2.326706       2.789263  
1 1 1 -8  14 36 o 73.09753 1.241147  53.53612       1.813997  53.74311       2.598284  53.33928       2.533692  0.2724915      2.482294  
1 1 1 -8  14 37 o 74.21345 1.087438  55.35268       1.536846  55.77509       1.906019  54.56775       2.598258  0.8511505      2.174876  
1 1 1 -8  14 38 o 66.10634 0.8321718 43.42266       1.094202  46.75350       1.655777  40.84033       1.457911  4.463535       1.664344  
1 1 1 -8  14 39 o 117.4618 2.269945  139.3605       5.049432  139.8223       6.219900  138.4679       8.647629  0.8934555      4.539890  
1 1 1 -8  14 40 o 77.52216 0.9291421 60.13434       1.439749  58.36860       1.995121  62.05305       2.079741  -2.371040      1.858284  
1 1 1 -8  14 41 o 9.645170 1.552486  0.9695847      0.2916030 0.9957427      0.4367774 0.9485499      0.3916768 0.2290087      3.104972  
1 1 1 -8  14 42 o 64.08070 0.8270453 41.12830       1.059853  40.98142       1.507732  41.27177       1.490139  -0.2277145     1.654091  
1 1 1 -8  14 43 o 43.89376 0.7175614 19.18033       0.6272652 20.45563       0.9409746 18.16039       0.8415096 2.608360       1.435123  
1 1 1 -8  14 44 o 72.42741 0.8997020 52.57199       1.302954  52.72214       1.864239  52.42859       1.821804  0.1989059      1.799404  
1 1 1 -8  14 45 o 34.43562 0.7258602 11.90225       0.4988053 11.32081       0.7175925 12.44583       0.6938414 -1.635315      1.451720  
1 1 1 -8  14 46 o 18.87357 0.9461806 3.494485       0.3531919 4.255241       0.5465846 2.949114       0.4627867 3.451216       1.892361  
1 1 1 -8  14 47 f 37.05787 0.7516682 13.72501       0.5552462 14.16963       0.8247557 13.35645       0.7509035 1.090313       1.503336  
1 1 1 -8  14 48 o 40.05207 0.7525389 15.80372       0.5972149 18.18177       0.9244196 14.10018       0.7824107 5.081017       1.505078  
1 1 1 -8  14 49 o 87.16069 1.037669  76.14158       1.805777  78.73550       2.647933  73.88645       2.468960  2.755852       2.075338  
1 1 1 -8  14 50 f 72.43885 1.120011  53.32577       1.564076  55.05316       1.983493  50.48569       2.543315  3.243195       2.240022  
1 1 1 -8  14 51 o 52.11561 1.024886  27.11126       1.047888  26.40238       1.348098  28.19341       1.665643  -1.666111      2.049773  
1 1 1 -8  14 52 o 24.20586 1.217297  5.913208       0.5869535 5.276256       0.8258912 6.563240       0.8343281 -2.656612      2.434594  
1 1 1 -8  14 53 o 9.045097 2.099637  0.7803257      0.4668294 0.3041890      0.7033156 1.155301       0.6241454 -2.858367      4.199274  
1 1 1 -8  14 54 o 18.01525 1.500237  3.295294       0.5374317 3.188435       0.7964520 3.384625       0.7282106 -0.5644684     3.000474  
1 1 1 -8  14 55 f 25.02444 1.229398  6.310081       0.6149181 6.551651       0.8885754 6.088075       0.8518384 0.9168835      2.458796  
1 1 1 -8  14 56 o 41.43425 1.119619  17.30323       0.9275544 17.26558       1.326646  17.33923       1.297364  -0.9611130E-01 2.239238  
1 1 1 -8  14 57 o 51.92926 1.638403  27.20423       1.701621  27.20423       1.701621  ?              ?         ?              ?         
1 1 1 -8  14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  14 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  15 1  o 125.3756 1.348921  155.6790       3.354844  145.7334       4.418597  169.2159       5.155010  -9.356857      2.697843  
1 1 1 -8  15 2  o 114.6980 1.244137  131.5620       2.853317  129.8446       3.982895  133.3726       4.089622  -1.536896      2.488275  
1 1 1 -8  15 3  o 164.7122 1.741899  271.2722       5.734372  265.9447       7.936980  277.0898       8.294051  -3.378189      3.483798  
1 1 1 -8  15 4  f 362.5511 3.774606  1318.585       27.36774  1327.517       38.98775  1309.908       38.42602  2.411438       7.549212  
1 1 1 -8  15 5  o 119.3564 1.290012  142.3090       3.075849  146.5609       4.481637  138.5227       4.229152  3.364716       2.580024  
1 1 1 -8  15 6  o 158.9207 1.684988  251.6133       5.335629  265.0135       7.967956  240.7196       7.184200  7.632813       3.369976  
1 1 1 -8  15 7  o 230.6557 3.424085  532.9886       15.78487  544.6548       22.83562  522.3139       21.84374  4.815872       6.848169  
1 1 1 -8  15 8  o 255.5157 2.670415  652.7546       13.62538  673.8473       19.94521  634.2975       18.65757  7.712051       5.340831  
1 1 1 -8  15 9  o 148.3559 1.577898  220.1515       4.680695  223.0226       6.708135  217.4274       6.534292  1.883591       3.155796  
1 1 1 -8  15 10 o 165.0860 1.746966  272.4802       5.763795  266.8853       7.971064  278.6111       8.344208  -3.546371      3.493933  
1 1 1 -8  15 11 o 111.4334 1.212810  124.1962       2.702641  123.0765       3.787580  125.3577       3.857604  -1.022896      2.425621  
1 1 1 -8  15 12 o 218.4253 2.289950  476.6993       9.986436  462.2763       13.65211  493.2990       14.64613  -7.083267      4.579901  
1 1 1 -8  15 13 o 109.3427 1.197949  119.4529       2.617123  116.5364       3.605695  122.7002       3.804657  -2.816605      2.395898  
1 1 1 -8  15 14 o 146.0894 1.557861  212.1796       4.527249  201.2206       6.038961  226.2418       6.840731  -8.552856      3.115722  
1 1 1 -8  15 15 o 48.81602 0.6749547 23.42435       0.6527820 20.88732       0.8548787 26.97247       1.010977  -6.231789      1.349909  
1 1 1 -8  15 16 o 293.1724 3.057605  861.0776       17.91928  846.6451       24.87892  876.6362       25.83127  -5.088348      6.115210  
1 1 1 -8  15 17 o 129.1368 1.391080  166.8310       3.592496  168.1738       5.120487  165.5292       5.041545  1.022903       2.782161  
1 1 1 -8  15 18 o 322.4103 3.360597  1042.736       21.66950  1045.896       30.74592  1039.618       30.54567  0.9671021      6.721194  
1 1 1 -8  15 19 o 172.3169 1.823655  297.1759       6.284143  294.5253       8.803776  299.9295       8.972878  -1.564911      3.647310  
1 1 1 -8  15 20 o 98.08160 1.090363  95.93862       2.133926  92.13889       2.900725  100.4205       3.150362  -4.218826      2.180726  
1 1 1 -8  15 21 o 138.2236 1.481598  191.1594       4.095295  189.3012       5.735623  193.0919       5.849294  -1.369339      2.963197  
1 1 1 -8  15 22 o 265.5701 2.776807  705.9252       14.72723  686.3235       20.18646  728.2307       21.53366  -7.845184      5.553613  
1 1 1 -8  15 23 o 257.0941 2.689634  662.4451       13.82423  652.4139       19.22736  673.1798       19.89033  -4.015060      5.379268  
1 1 1 -8  15 24 o 193.4402 2.038718  374.5929       7.882942  381.9668       11.37979  367.7903       10.93013  3.650696       4.077436  
1 1 1 -8  15 25 f 112.4830 1.230755  126.5976       2.768584  125.5310       3.887328  127.6955       3.944026  -0.9610138     2.461509  
1 1 1 -8  15 26 o 21.63771 0.7468904 4.709696       0.3206640 4.438497       0.4763587 4.934417       0.4336227 -1.146511      1.493781  
1 1 1 -8  15 27 o 33.54858 0.6483596 11.25794       0.4346766 10.66162       0.6107263 11.87015       0.6188046 -1.801056      1.296719  
1 1 1 -8  15 28 o 26.97129 0.6727102 7.273640       0.3619700 7.318012       0.5317829 7.235334       0.4940977 0.1526947      1.345420  
1 1 1 -8  15 29 o 32.33078 0.6641052 10.27258       0.4235316 8.162364       0.5625711 13.03339       0.6434771 -7.531763      1.328210  
1 1 1 -8  15 30 o 104.0847 1.154791  108.1198       2.397875  113.0053       3.545498  104.0015       3.255276  4.315376       2.309582  
1 1 1 -8  15 31 f 46.67521 0.8355887 22.42864       0.7544946 18.78572       1.167953  25.03765       0.9884125 -6.702106      1.671177  
1 1 1 -8  15 32 o 19.76861 1.073007  3.932478       0.4199878 3.757954       0.6326869 4.069968       0.5615594 -0.7918167     2.146014  
1 1 1 -8  15 33 o 68.10222 1.175862  46.36000       1.598684  47.93767       2.346350  44.99294       2.184119  2.154152       2.351724  
1 1 1 -8  15 34 o 180.9888 2.357543  330.1615       8.059752  330.7309       9.896720  329.0401       13.88838  0.8844757      4.715086  
1 1 1 -8  15 35 o 89.89829 1.028119  80.49314       1.841504  76.17411       2.476508  85.83475       2.754115  -5.359482      2.056238  
1 1 1 -8  15 36 o 58.94769 0.7757084 34.24551       0.9050124 38.44695       1.409042  31.29513       1.180765  6.057041       1.551417  
1 1 1 -8  15 37 f 71.15878 0.8729796 50.67424       1.242141  49.56758       1.735690  51.83602       1.778393  -1.591888      1.745959  
1 1 1 -8  15 38 o 152.3173 2.325828  233.6760       7.073036  241.4621       10.37189  226.9074       9.670469  4.680267       4.651656  
1 1 1 -8  15 39 o 44.64258 0.7111734 19.91621       0.6337910 20.46587       0.9299393 19.43944       0.8660941 1.146458       1.422347  
1 1 1 -8  15 40 o 118.2074 1.304644  140.1492       3.083234  142.1197       4.432234  138.3015       4.291856  1.602142       2.609288  
1 1 1 -8  15 41 o 50.03941 0.7373148 25.02880       0.7366696 25.75538       1.079064  24.39456       1.008162  1.355556       1.474630  
1 1 1 -8  15 42 o 20.55504 0.8433004 4.195444       0.3448588 4.595706       0.5214437 3.884268       0.4597663 1.726034       1.686601  
1 1 1 -8  15 43 o 40.84259 0.7218250 16.72174       0.5886530 16.38646       0.8523664 17.02747       0.8139256 -0.7874718     1.443650  
1 1 1 -8  15 44 o 15.87107 1.040280  2.478497       0.3266035 2.868489       0.5099297 2.207233       0.4252822 2.073936       2.080559  
1 1 1 -8  15 45 o 61.70116 0.8258696 38.09046       1.017452  39.19579       1.490288  37.12545       1.392477  1.668560       1.651739  
1 1 1 -8  15 46 o 27.03474 0.8009893 7.376424       0.4296482 6.806716       0.6332470 7.862400       0.5848620 -1.957214      1.601979  
1 1 1 -8  15 47 o 59.03449 0.8184822 34.93397       0.9656885 35.06852       1.393392  34.80962       1.339577  0.2134056      1.636964  
1 1 1 -8  15 48 o 15.80499 1.160241  2.572907       0.3570212 2.161572       0.5429202 2.886302       0.4738974 -2.303580      2.320483  
1 1 1 -8  15 49 o 33.08294 0.7803851 10.90829       0.5140489 11.62918       0.7722644 10.33476       0.6888202 1.946796       1.560770  
1 1 1 -8  15 50 o 92.65607 1.092791  86.31221       2.025026  85.69627       2.865386  86.92680       2.862255  -0.6645660     2.185582  
1 1 1 -8  15 51 o 26.93050 0.8709081 6.993967       0.4597573 9.108642       0.7384947 5.655655       0.5874951 6.387865       1.741816  
1 1 1 -8  15 52 o 75.15172 0.9588522 56.71721       1.440859  55.10272       2.017313  58.39861       2.058681  -2.185776      1.917704  
1 1 1 -8  15 53 o 10.43771 1.767872  1.091960       0.4032660 1.825468       0.5871051 0.4367923      0.5548679 5.972359       3.535745  
1 1 1 -8  15 54 o 29.81632 1.076113  8.997100       0.6374607 9.478415       0.8683456 8.434535       0.9387798 1.765800       2.152226  
1 1 1 -8  15 55 o 10.57607 2.208928  1.151607       0.5013040 1.416688       0.7465902 0.9339702      0.6764849 1.914495       4.417855  
1 1 1 -8  15 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  15 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  16 1  o 221.7996 3.299317  493.1306       14.63343  488.9960       20.48105  497.4425       20.91537  -1.892151      6.598633  
1 1 1 -8  16 2  o 155.6053 2.348695  241.2597       7.279738  230.1547       9.781183  255.0495       10.89960  -7.977661      4.697390  
1 1 1 -8  16 3  o 139.1300 1.821827  194.4766       4.803242  191.3445       8.201519  196.1117       5.925817  -1.746811      3.643655  
1 1 1 -8  16 4  o 124.7655 1.452513  156.1504       3.612530  149.6133       5.259083  161.9906       4.970868  -4.963654      2.905025  
1 1 1 -8  16 5  o 160.1026 2.418748  256.6231       7.743744  259.7027       11.07111  253.6733       10.83531  1.878281       4.837497  
1 1 1 -8  16 6  o 163.5787 1.731487  267.7693       5.664688  267.7219       8.009188  267.8167       8.012971  -0.2890015E-01 3.462974  
1 1 1 -8  16 7  f 126.2319 1.360851  158.7452       3.424073  167.2569       5.100581  151.7626       4.619782  6.131691       2.721701  
1 1 1 -8  16 8  o 89.32686 1.004116  79.75828       1.792952  81.40892       2.586656  78.23178       2.487484  1.777519       2.008232  
1 1 1 -8  16 9  o 197.5543 2.076250  390.5114       8.200243  396.8834       11.79611  384.5522       11.40744  3.113892       4.152500  
1 1 1 -8  16 10 o 69.82568 0.8364925 48.76316       1.168139  48.55723       1.644455  48.97290       1.659645  -0.2975311     1.672985  
1 1 1 -8  16 11 o 331.0321 3.449882  1099.152       22.84043  1099.813       32.31376  1098.492       32.28874  0.1987305      6.899765  
1 1 1 -8  16 12 o 74.64061 0.8756669 55.52526       1.303852  58.39362       1.929654  53.11546       1.768693  3.534431       1.751334  
1 1 1 -8  16 13 o 92.11184 1.032963  84.78913       1.901577  86.89095       2.753457  82.87257       2.629308  2.180054       2.065926  
1 1 1 -8  16 14 o 145.0616 1.548696  210.2427       4.487443  216.7037       6.546858  204.5173       6.162936  4.194672       3.097391  
1 1 1 -8  16 15 f 63.27549 0.7824047 40.03917       0.9900704 39.47422       1.390831  40.61954       1.409702  -0.9048767     1.564809  
1 1 1 -8  16 16 o 283.2986 2.958406  802.0033       16.71397  771.8781       22.63502  838.1240       24.78530  -11.62537      5.916812  
1 1 1 -8  16 17 o 106.5209 1.171446  113.3726       2.493168  116.5421       3.624874  110.5271       3.434563  2.820999       2.342892  
1 1 1 -8  16 18 f 216.7049 2.276160  469.4682       9.848319  455.6930       13.46702  485.3037       14.43898  -6.807220      4.552320  
1 1 1 -8  16 19 o 48.49642 0.6873199 23.44379       0.6650398 24.61893       0.9828691 22.45146       0.9031916 2.234020       1.374640  
1 1 1 -8  16 20 f 145.8478 1.560634  209.7922       4.498107  232.5377       7.043599  194.1278       5.845256  13.14442       3.121268  
1 1 1 -8  16 21 o 204.6497 2.154238  419.5152       8.816228  416.0900       12.35456  423.0692       12.58468  -1.698318      4.308476  
1 1 1 -8  16 22 o 106.3986 1.176687  113.0937       2.500737  109.9265       3.433470  116.6721       3.649567  -3.166077      2.353373  
1 1 1 -8  16 23 o 73.91764 0.8773614 54.19060       1.289791  50.47193       1.716766  59.00957       1.954315  -5.771744      1.754723  
1 1 1 -8  16 24 o 49.66298 0.6978825 24.65963       0.6927453 24.95010       0.9999377 24.39154       0.9606239 0.5618744      1.395765  
1 1 1 -8  16 25 o 111.7120 1.225296  124.8992       2.737566  124.3526       3.858533  125.4533       3.884603  -0.4919968     2.450593  
1 1 1 -8  16 26 o 60.16883 0.7711832 35.99216       0.9241896 38.63559       1.385982  33.87576       1.240147  3.952866       1.542366  
1 1 1 -8  16 27 f 134.4769 1.449517  180.8741       3.894458  185.9278       5.665255  176.3463       5.362404  3.551666       2.899033  
1 1 1 -8  16 28 o 54.61489 0.9003249 28.16390       0.8830400 33.69204       1.736620  26.23615       1.025512  6.807869       1.800650  
1 1 1 -8  16 29 o 37.44450 0.9043649 14.04610       0.6765185 13.40598       0.9625934 14.67089       0.9509952 -1.689373      1.808730  
1 1 1 -8  16 30 o 73.89403 1.247610  53.10206       1.808717  47.04350       2.300833  62.90259       2.926340  -10.70438      2.495219  
1 1 1 -8  16 31 o 25.77129 0.8264801 6.347916       0.4077209 5.695972       0.4981820 7.670406       0.7095440 -3.824045      1.652960  
1 1 1 -8  16 32 o 102.7865 1.145366  105.7289       2.353061  103.3346       3.257861  108.3401       3.402300  -2.427658      2.290732  
1 1 1 -8  16 33 o 120.7598 1.319844  146.0369       3.185344  149.2001       4.611356  143.1502       4.405223  2.492432       2.639688  
1 1 1 -8  16 34 o 104.3917 1.162959  109.1525       2.427406  110.3892       3.480953  107.9818       3.386727  1.147636       2.325917  
1 1 1 -8  16 35 o 57.68171 0.7662886 33.12043       0.8803399 35.21496       1.319685  31.44104       1.181691  3.265697       1.532577  
1 1 1 -8  16 36 o 93.70283 1.067109  87.95726       1.999696  88.19801       2.845679  87.72240       2.810642  0.2516937      2.134217  
1 1 1 -8  16 37 o 58.06972 1.091942  33.27211       1.253817  37.18995       1.959808  30.55741       1.631362  5.688393       2.183884  
1 1 1 -8  16 38 o 30.49089 0.7144799 9.277405       0.4343493 9.656882       0.6448995 8.962350       0.5876145 1.136044       1.428960  
1 1 1 -8  16 39 o 42.76501 0.7152383 18.26675       0.6100400 16.43183       0.8429654 20.28443       0.8839467 -4.502285      1.430477  
1 1 1 -8  16 40 o 99.76381 1.130205  99.72521       2.253076  102.0191       3.269132  97.64988       3.109519  2.174995       2.260410  
1 1 1 -8  16 41 o 60.44254 0.8052623 36.28895       0.9678862 39.37523       1.467323  33.91175       1.287780  4.506741       1.610525  
1 1 1 -8  16 42 o 44.07905 0.7294615 19.42931       0.6418933 19.92430       0.9414004 18.99922       0.8775118 1.044655       1.458923  
1 1 1 -8  16 43 o 59.16264 0.8055709 34.77788       0.9471518 37.58961       1.440811  32.63815       1.256896  4.168961       1.611142  
1 1 1 -8  16 44 o 58.09359 0.7996023 33.74447       0.9272746 34.96280       1.362384  32.69296       1.265679  1.944782       1.599205  
1 1 1 -8  16 45 o 23.54424 0.8720724 5.634456       0.4012928 4.244527       0.5651900 7.047481       0.5698664 -5.952028      1.744145  
1 1 1 -8  16 46 o 32.44053 0.7668140 10.59758       0.4950349 9.849042       0.7198233 11.26929       0.6818864 -2.192881      1.533628  
1 1 1 -8  16 47 o 61.17883 0.8393632 37.42266       1.025528  35.16475       1.407778  39.97570       1.496959  -3.921513      1.678726  
1 1 1 -8  16 48 o 44.00669 0.7683488 19.42709       0.6756195 19.02384       0.9704284 19.80641       0.9411830 -0.8924332     1.536698  
1 1 1 -8  16 49 o 15.82977 1.195861  2.524204       0.3757378 2.501634       0.5659062 2.541998       0.5024777 -0.1394148     2.391721  
1 1 1 -8  16 50 o 20.14587 1.037095  4.147521       0.4105197 3.598489       0.6139522 4.591482       0.5520883 -2.475594      2.074190  
1 1 1 -8  16 51 o 72.82193 0.9379263 53.26997       1.365878  52.70694       1.939143  53.82438       1.924230  -0.7697220     1.875853  
1 1 1 -8  16 52 o 37.64664 0.7994114 14.13193       0.5990288 15.11019       0.9020078 13.36005       0.8012279 2.309055       1.598823  
1 1 1 -8  16 53 o 28.17820 1.161663  8.007292       0.6541172 8.316669       0.9202319 7.691334       0.9299676 1.111877       2.323326  
1 1 1 -8  16 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  16 55 o 45.10080 1.163720  20.53364       1.048663  20.99957       1.461936  20.03982       1.505072  1.075352       2.327440  
1 1 1 -8  16 56 o 21.57188 4.092241  0.000000       0.000000  ?              ?         5.062231       1.701589  ?              ?         
1 1 1 -8  16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  17 1  f 114.0625 1.349319  128.3753       2.994396  137.7043       4.907013  122.8402       3.779725  6.501465       2.698639  
1 1 1 -8  17 2  o 111.0485 1.736087  123.1842       3.850345  127.6068       5.629285  119.2962       5.278086  3.736122       3.472175  
1 1 1 -8  17 3  o 32.42922 0.6741971 10.35601       0.4262665 9.835040       0.5392818 11.22351       0.6958911 -2.139776      1.348394  
1 1 1 -8  17 4  o 179.9985 2.324850  325.7881       7.937965  328.7076       9.805545  320.2367       13.52139  2.432922       4.649700  
1 1 1 -8  17 5  o 175.4434 2.629744  308.2471       9.224418  312.9687       13.25006  303.8065       12.84974  2.601242       5.259488  
1 1 1 -8  17 6  o 251.1824 3.725845  633.2007       18.71546  628.4589       26.24663  638.1057       26.69435  -1.904465      7.451690  
1 1 1 -8  17 7  o 390.5645 5.784882  1539.221       45.18738  1538.819       63.87420  1539.622       63.93505  -0.9942627E-01 11.56976  
1 1 1 -8  17 8  o 191.3698 2.494107  361.1858       8.788779  381.3073       16.12321  352.6794       10.48317  7.345245       4.988214  
1 1 1 -8  17 9  o 208.9309 2.193635  436.8965       9.162531  430.2202       12.73947  444.0509       13.18770  -3.300140      4.387271  
1 1 1 -8  17 10 o 160.8953 1.706976  258.6142       5.484481  251.0382       7.511228  267.2661       8.026880  -5.034119      3.413952  
1 1 1 -8  17 11 o 248.0718 2.595193  616.5109       12.87411  610.9965       18.02846  622.2489       18.39040  -2.258224      5.190385  
1 1 1 -8  17 12 o 251.7942 2.633188  634.7604       13.25038  649.0256       19.19086  621.7642       18.31738  5.389069       5.266376  
1 1 1 -8  17 13 o 31.80281 0.6576635 10.04020       0.4165981 8.943883       0.5637380 11.35927       0.6183605 -3.797050      1.315327  
1 1 1 -8  17 14 o 144.6340 1.546541  209.0487       4.468356  215.1985       6.511993  203.5768       6.142594  4.011246       3.093082  
1 1 1 -8  17 15 o 103.2962 1.143632  105.9916       2.349517  100.0474       3.130157  113.6625       3.555839  -6.584724      2.287263  
1 1 1 -8  17 16 o 219.7869 2.306302  483.9282       10.13788  483.3322       14.32057  484.5269       14.35374  -0.2708893     4.612605  
1 1 1 -8  17 17 o 214.6382 2.255901  461.3351       9.680492  454.6599       13.47363  468.4576       13.91773  -3.201492      4.511802  
1 1 1 -8  17 18 o 73.11848 0.8752223 53.23174       1.275606  50.63506       1.720608  56.40068       1.900775  -3.940498      1.750445  
1 1 1 -8  17 19 o 146.7749 1.568781  215.5965       4.604180  213.0469       6.432203  218.2755       6.593375  -1.777344      3.137561  
1 1 1 -8  17 20 o 275.3886 2.880867  761.1774       15.86651  757.4852       22.31781  764.9506       22.56143  -1.344299      5.761735  
1 1 1 -8  17 21 o 148.1543 1.585140  218.2779       4.670867  233.2892       7.066102  206.6283       6.224799  8.975525       3.170280  
1 1 1 -8  17 22 o 134.8997 1.453851  182.1375       3.921811  184.3089       5.609363  180.0612       5.485275  1.571060       2.907702  
1 1 1 -8  17 23 f 74.29856 0.8833722 55.22559       1.312550  55.41867       1.870085  55.03814       1.842670  0.2555695      1.766744  
1 1 1 -8  17 24 o 42.75030 0.6721421 18.10263       0.5710303 19.84767       0.8694878 16.77914       0.7572200 3.587177       1.344284  
1 1 1 -8  17 25 o 83.00392 1.351628  68.73039       2.238498  65.44193       3.040525  72.62231       3.307760  -4.316315      2.703257  
1 1 1 -8  17 26 o 141.8386 2.152401  201.0573       6.083278  211.6621       9.082178  192.4283       8.192547  6.725845       4.304803  
1 1 1 -8  17 27 o 80.59210 1.320399  63.96133       2.100917  71.73904       3.306413  58.69485       2.720769  8.068024       2.640797  
1 1 1 -8  17 28 o 85.83318 1.187824  74.81223       1.976268  78.39033       2.537306  69.29359       3.151101  5.323372       2.375648  
1 1 1 -8  17 29 o 90.39529 1.030582  80.68356       1.843478  89.32279       2.869850  74.61453       2.405365  8.117966       2.061164  
1 1 1 -8  17 30 o 66.44452 0.8223594 44.12392       1.091612  45.41715       1.589475  42.96943       1.501798  1.838852       1.644719  
1 1 1 -8  17 31 o 28.40307 0.6736051 8.094554       0.3812751 7.336838       0.5410034 8.842274       0.5374232 -2.650238      1.347210  
1 1 1 -8  17 32 o 61.29325 0.7905006 37.56059       0.9684839 36.42748       1.342046  38.79192       1.399015  -1.926636      1.581001  
1 1 1 -8  17 33 o 64.39145 0.8116341 41.46516       1.044769  40.16219       1.451744  42.86499       1.504733  -2.096504      1.623268  
1 1 1 -8  17 34 o 57.97890 0.7748033 33.60799       0.8979172 32.45301       1.244590  34.86173       1.296706  -2.075039      1.549607  
1 1 1 -8  17 35 o 54.60299 0.7521260 29.79823       0.8200661 30.59233       1.199929  29.10226       1.123352  1.361107       1.504252  
1 1 1 -8  17 36 o 86.87701 1.013430  75.44017       1.758143  72.48698       2.405851  78.82477       2.575598  -3.636070      2.026860  
1 1 1 -8  17 37 f 40.90647 0.7072918 16.43829       0.5724285 18.94134       0.8931553 14.69341       0.7457192 5.184937       1.414584  
1 1 1 -8  17 38 o 115.2520 1.277606  132.7339       2.935607  126.6735       3.965305  140.0838       4.366831  -5.778992      2.555213  
1 1 1 -8  17 39 o 62.29028 0.8155209 38.85889       1.015703  38.98504       1.454587  38.73885       1.418920  0.1951790      1.631042  
1 1 1 -8  17 40 o 30.53202 0.7324678 9.270260       0.4438928 9.840603       0.6781700 8.842752       0.5871419 1.628010       1.464936  
1 1 1 -8  17 41 o 28.07127 0.7574617 7.915859       0.4231549 7.637713       0.6240273 8.152629       0.5757470 -0.9209080     1.514923  
1 1 1 -8  17 42 o 51.01953 0.7553408 26.06002       0.7696592 26.34377       1.121233  25.80718       1.058408  0.5208015      1.510682  
1 1 1 -8  17 43 f 25.81173 0.8080479 6.726366       0.4135028 5.782114       0.5904363 7.635290       0.5792855 -3.590830      1.616096  
1 1 1 -8  17 44 o 20.70012 0.9191387 4.156403       0.3741984 5.225498       0.5959976 3.460737       0.4807692 4.249367       1.838277  
1 1 1 -8  17 45 o 71.04878 0.9014882 50.38773       1.276102  53.36989       1.907855  47.97345       1.716618  3.774483       1.802976  
1 1 1 -8  17 46 o 91.36891 1.074908  83.67528       1.961557  80.40723       2.689061  87.39186       2.867666  -3.795448      2.149815  
1 1 1 -8  17 47 o 40.28384 0.7648814 16.27465       0.6149383 16.14874       0.8975607 16.38604       0.8441984 -0.3005066     1.529763  
1 1 1 -8  17 48 o 11.22641 1.604697  1.334934       0.3470678 1.118880       0.5386596 1.488295       0.4538268 -1.851432      3.209393  
1 1 1 -8  17 49 o 50.14734 0.7976755 25.22931       0.7987903 25.18295       1.161816  25.27086       1.100035  -0.9629059E-01 1.595351  
1 1 1 -8  17 50 o 37.06767 0.7964133 13.81113       0.5880313 13.45260       0.8651742 14.11896       0.8016570 -0.9078064     1.592827  
1 1 1 -8  17 51 o 51.45264 1.048231  26.85413       0.9868127 26.07013       1.792235  27.19522       1.182143  -1.212124      2.096462  
1 1 1 -8  17 52 o 53.22672 1.424255  28.41824       1.476684  27.63576       1.874286  29.69889       2.397806  -1.789036      2.848509  
1 1 1 -8  17 53 o 8.234235 2.071029  0.5755930      0.4514230 0.8935151      0.6020103 0.1671865      0.6823230 2.210623       4.142059  
1 1 1 -8  17 54 o 22.15110 1.418241  4.971259       0.6262426 4.947304       0.9224709 4.991736       0.8528967 -0.1224689     2.836482  
1 1 1 -8  17 55 o 32.90885 1.423373  10.65280       0.8794618 11.93887       1.574308  10.06939       1.060341  2.661654       2.846746  
1 1 1 -8  17 56 o 53.02243 2.423033  28.68344       2.569503  28.68344       2.569503  ?              ?         ?              ?         
1 1 1 -8  18 1  f 182.9527 1.930114  335.1058       7.062389  335.3813       9.993636  334.8310       9.981827  0.1501312      3.860228  
1 1 1 -8  18 2  o 144.6332 1.545812  208.7522       4.460985  217.5757       6.585321  201.2694       6.064396  5.628281       3.091624  
1 1 1 -8  18 3  o 71.54741 0.8578988 50.72952       1.220139  47.14439       1.620161  55.42711       1.854570  -5.786064      1.715798  
1 1 1 -8  18 4  o 237.1150 2.483500  562.8792       11.76985  574.6872       17.01636  552.0483       16.29708  4.754257       4.967000  
1 1 1 -8  18 5  o 153.7246 1.636632  235.7672       5.018319  227.0145       6.805393  246.1990       7.429563  -6.228668      3.273265  
1 1 1 -8  18 6  o 72.75206 0.8643767 52.80977       1.255791  55.28837       1.839088  50.64452       1.718910  3.190407       1.728753  
1 1 1 -8  18 7  o 320.2236 3.340263  1028.533       21.38359  1012.768       29.72916  1045.431       30.78013  -5.060913      6.680526  
1 1 1 -8  18 8  o 101.2957 1.385209  102.9617       2.644509  103.5467       3.242022  101.7984       4.571488  0.8833618      2.770418  
1 1 1 -8  18 9  o 71.17448 1.232846  50.67892       1.754873  51.24095       2.494172  50.12793       2.469542  0.7815475      2.465692  
1 1 1 -8  18 10 o 88.00948 1.438218  77.48363       2.531003  78.72737       3.625168  76.30081       3.535282  1.377075       2.876436  
1 1 1 -8  18 11 o 72.55032 1.253523  51.50705       1.793348  59.63046       2.841494  46.12917       2.311975  9.296860       2.507045  
1 1 1 -8  18 12 o 26.66025 1.049204  7.072814       0.5573100 6.268827       0.7605809 8.004970       0.8189645 -3.255297      2.098409  
1 1 1 -8  18 13 f 22.26825 0.9598663 5.042869       0.3936620 4.746361       0.7015058 5.179162       0.4756082 -0.9745083     1.919733  
1 1 1 -8  18 14 o 298.3706 3.117973  890.0737       18.54219  853.7741       25.01473  934.3420       27.62429  -13.38995      6.235945  
1 1 1 -8  18 15 o 113.2338 1.240089  128.2433       2.807454  130.4062       4.034155  126.2120       3.909460  1.849724       2.480178  
1 1 1 -8  18 16 o 44.38221 0.6794590 19.56369       0.6008556 18.09417       0.8083774 21.37783       0.8981751 -3.698353      1.358918  
1 1 1 -8  18 17 f 233.9901 2.454195  548.9883       11.48474  546.4935       16.16079  551.5339       16.32418  -1.070648      4.908389  
1 1 1 -8  18 18 o 54.73832 0.7321293 29.60645       0.7961754 26.84398       1.054513  33.26909       1.214228  -5.866970      1.464259  
1 1 1 -8  18 19 o 91.19060 1.033197  82.73506       1.876456  78.40193       2.518008  88.14685       2.814016  -5.337593      2.066394  
1 1 1 -8  18 20 o 78.11703 0.9153396 61.01884       1.429478  62.15681       2.057770  59.95753       1.987248  1.406372       1.830679  
1 1 1 -8  18 21 o 140.7283 1.847278  198.6567       4.912109  197.8947       8.462418  199.0439       6.032401  -0.5066376     3.694556  
1 1 1 -8  18 22 f 101.0928 1.582035  102.3699       3.198587  102.3183       4.536966  102.4209       4.510123  -0.5172729E-01 3.164070  
1 1 1 -8  18 23 o 127.3204 1.946698  161.7363       4.935863  171.1272       7.401783  154.2162       6.623597  6.601318       3.893396  
1 1 1 -8  18 24 o 135.4271 2.061621  184.0469       5.583657  184.8540       7.946563  183.2598       7.847341  0.5825500      4.123242  
1 1 1 -8  18 25 o 16.14627 0.9078404 2.571308       0.2831748 3.639109       0.4294300 1.749749       0.3766751 5.849249       1.815681  
1 1 1 -8  18 26 o 23.10303 0.7140071 5.349771       0.3274540 4.534105       0.4567987 6.211973       0.4696484 -3.630960      1.428014  
1 1 1 -8  18 27 o 213.8148 2.256365  459.4361       9.646011  465.7753       13.84487  453.4561       13.44687  2.847702       4.512730  
1 1 1 -8  18 28 o 120.2058 1.312985  144.7332       3.155370  146.8864       4.537355  142.7168       4.390976  1.726181       2.625969  
1 1 1 -8  18 29 o 28.31013 0.6851218 7.855248       0.3834732 9.155779       0.6002402 6.958381       0.4984586 3.877790       1.370244  
1 1 1 -8  18 30 f 105.0019 1.169940  110.2935       2.454035  113.6576       3.576365  107.3001       3.373565  3.016113       2.339879  
1 1 1 -8  18 31 o 32.50534 0.6777571 10.45716       0.4375565 11.55199       0.6686723 9.637294       0.5786423 2.942097       1.355514  
1 1 1 -8  18 32 o 30.22545 0.6797987 9.177757       0.4092785 8.379661       0.5859891 9.937895       0.5718832 -2.578197      1.359597  
1 1 1 -8  18 33 o 44.11244 0.6928027 19.46939       0.6107178 19.58341       0.8830139 19.36484       0.8455729 0.2462807      1.385605  
1 1 1 -8  18 34 o 60.65420 1.032700  36.57376       1.217904  38.05836       1.986488  35.67964       1.541631  1.932087       2.065401  
1 1 1 -8  18 35 o 100.6911 1.136812  101.5675       2.288207  99.20816       3.175581  104.1153       3.300033  -2.426811      2.273624  
1 1 1 -8  18 36 o 59.91763 0.7998782 35.63250       0.9522126 38.61268       1.450893  33.37765       1.262036  4.357773       1.599756  
1 1 1 -8  18 37 o 83.98941 0.9888453 70.38702       1.656431  66.69228       2.242597  74.82262       2.457176  -4.823059      1.977691  
1 1 1 -8  18 38 o 22.22124 0.8172715 4.925586       0.3605570 5.107821       0.5481055 4.786571       0.4787183 0.7179585      1.634543  
1 1 1 -8  18 39 o 39.22890 0.7233106 15.18731       0.5616179 12.46839       0.7496951 18.66455       0.8478213 -7.890663      1.446621  
1 1 1 -8  18 40 o 52.48022 0.7637189 27.55178       0.8002170 28.19450       1.171963  26.99043       1.095280  1.141052       1.527438  
1 1 1 -8  18 41 o 39.38048 0.7273715 15.49477       0.5707640 15.96576       0.8496198 15.10740       0.7705281 1.083538       1.454743  
1 1 1 -8  18 42 o 46.53333 0.7451990 21.63431       0.6915224 22.43899       1.024662  20.96126       0.9371123 1.580086       1.490398  
1 1 1 -8  18 43 o 13.07854 1.482737  2.007147       0.3401207 0.8120284      0.5066298 2.987728       0.4589096 -8.357711      2.965474  
1 1 1 -8  18 44 o 14.51908 1.180232  2.103904       0.3414522 2.318328       0.5095882 1.929193       0.4599851 1.332149       2.360463  
1 1 1 -8  18 45 o 56.86405 0.8104120 32.42509       0.9214690 31.66651       1.303573  33.18269       1.302736  -1.333260      1.620824  
1 1 1 -8  18 46 o 42.96367 0.7655840 18.20852       0.6510397 20.55483       1.013584  16.56065       0.8494319 4.629856       1.531168  
1 1 1 -8  18 47 o 15.71851 1.176765  2.447212       0.3667481 2.800186       0.5656762 2.191254       0.4817046 1.920999       2.353530  
1 1 1 -8  18 48 o 35.79168 0.7849600 12.61447       0.5557086 14.46421       0.8682482 11.33095       0.7232528 4.357040       1.569920  
1 1 1 -8  18 49 o 27.13129 1.297004  7.414897       0.6838662 7.459177       1.107615  7.387619       0.8693601 0.7730675E-01  2.594007  
1 1 1 -8  18 50 o 21.83611 1.509646  4.866961       0.6361504 4.669158       1.035045  4.987039       0.8064479 -0.7932396     3.019292  
1 1 1 -8  18 51 o 27.72077 0.9091854 7.793006       0.4987423 7.078327       0.7392477 8.390070       0.6756863 -2.377525      1.818371  
1 1 1 -8  18 52 o 25.75712 0.9926665 6.691242       0.5101109 6.251845       0.7288648 7.113101       0.7141711 -1.675135      1.985333  
1 1 1 -8  18 53 o 14.76818 1.757499  2.278273       0.5001662 2.727831       0.7091861 1.833362       0.7055119 3.252754       3.514997  
1 1 1 -8  18 54 o 19.02915 1.580468  3.648293       0.5985166 4.156063       0.8964888 3.239973       0.8039182 2.371199       3.160935  
1 1 1 -8  18 55 o 47.74698 1.560101  22.78818       1.336181  22.30334       1.566919  24.08043       2.558121  -1.491180      3.120202  
1 1 1 -8  19 1  o 136.6374 1.466108  186.8517       4.006488  187.1885       5.675673  186.5171       5.656435  0.2452850      2.932215  
1 1 1 -8  19 2  o 163.1577 1.731386  266.5013       5.649655  267.5584       8.021462  265.4607       7.958549  0.6413727      3.462771  
1 1 1 -8  19 3  o 117.1743 1.275074  137.1965       2.984923  141.2292       4.344061  133.5895       4.108426  3.255913       2.550148  
1 1 1 -8  19 4  o 30.71462 0.6444619 9.375264       0.3944868 8.412151       0.5355934 10.51728       0.5832219 -3.426514      1.288924  
1 1 1 -8  19 5  o 59.21255 0.7552667 35.06143       0.8942897 34.66029       1.251540  35.47991       1.278319  -0.6918259     1.510533  
1 1 1 -8  19 6  o 166.9872 1.771033  277.8320       5.890617  265.1717       7.913725  293.5620       8.821129  -8.478745      3.542066  
1 1 1 -8  19 7  o 51.74115 0.7064220 26.75644       0.7307439 27.61103       1.050507  25.95525       1.017156  1.599735       1.412844  
1 1 1 -8  19 8  f 205.9611 2.166359  424.8638       8.921146  419.4180       12.43924  430.6312       12.80136  -2.710938      4.332719  
1 1 1 -8  19 9  o 37.89751 0.6563518 14.35838       0.4973396 14.84283       0.7111338 13.89459       0.6958055 1.250904       1.312704  
1 1 1 -8  19 10 o 422.3961 4.415578  1798.735       37.29488  1779.612       52.11993  1818.800       53.38880  -4.553528      8.831157  
1 1 1 -8  19 11 o 82.70547 0.9612266 68.05214       1.583655  64.43941       2.127614  72.54030       2.371424  -4.893768      1.922453  
1 1 1 -8  19 12 o 152.2730 1.625552  232.1472       4.950553  232.2804       7.005638  232.0144       6.996649  0.8711243E-01  3.251105  
1 1 1 -8  19 13 o 127.8509 1.509186  161.0688       3.742093  153.6993       4.696999  173.8747       6.191658  -7.853462      3.018372  
1 1 1 -8  19 14 o 62.45260 0.9851189 38.47577       1.135523  37.63704       1.357400  40.43098       2.072494  -2.225101      1.970238  
1 1 1 -8  19 15 o 74.90480 1.275501  55.65596       1.898835  51.97086       2.519730  60.49907       2.888628  -5.684196      2.551003  
1 1 1 -8  19 16 o 45.87714 1.006939  21.01209       0.9228281 22.07989       1.344993  20.06227       1.268514  2.197418       2.013879  
1 1 1 -8  19 17 o 65.54799 1.178144  42.44503       1.532727  47.58402       2.351851  38.65089       2.020821  6.805851       2.356287  
1 1 1 -8  19 18 o 140.2755 3.042906  0.000000       0.000000  ?              ?         197.3551       8.536903  ?              ?         
1 1 1 -8  19 19 o 26.82454 1.213001  0.000000       0.000000  ?              ?         7.199150       0.6507638 ?              ?         
1 1 1 -8  19 20 o 134.1972 2.042108  179.8678       5.462610  171.7320       7.371021  189.7802       8.136117  -6.683762      4.084216  
1 1 1 -8  19 21 o 48.37494 0.8252007 23.86778       0.7823275 26.66017       1.049699  20.37875       1.173356  6.495331       1.650401  
1 1 1 -8  19 22 o 107.6170 1.189679  115.4702       2.552285  110.2387       3.445886  121.8281       3.798821  -5.371262      2.379359  
1 1 1 -8  19 23 o 72.37413 0.8684003 52.11213       1.251627  55.61986       1.878221  49.31014       1.678674  4.353310       1.736801  
1 1 1 -8  19 24 o 116.2981 1.272730  135.4517       2.960081  134.2660       4.154114  136.6748       4.219014  -1.032722      2.545460  
1 1 1 -8  19 25 o 74.51136 0.8886476 55.55342       1.324107  54.69855       1.854124  56.44319       1.891579  -1.169434      1.777295  
1 1 1 -8  19 26 o 250.9724 2.645810  634.6883       13.26960  621.1217       18.32729  649.6365       19.23789  -5.576050      5.291620  
1 1 1 -8  19 27 o 130.1868 1.413014  169.7132       3.675603  165.4568       5.066387  174.4427       5.340624  -3.433594      2.826027  
1 1 1 -8  19 28 o 169.6468 1.808173  289.0215       6.134181  291.5669       8.761373  286.5740       8.591213  1.456955       3.616346  
1 1 1 -8  19 29 o 20.93715 0.7734962 4.241408       0.3178682 5.582778       0.5007043 3.335834       0.4114043 5.362431       1.546992  
1 1 1 -8  19 30 o 131.8195 1.431147  174.2861       3.772665  175.4867       5.381597  173.1259       5.290281  0.8884583      2.862294  
1 1 1 -8  19 31 o 61.86838 0.7979248 38.18430       0.9849209 40.13330       1.455950  36.53984       1.337370  2.898827       1.595850  
1 1 1 -8  19 32 o 15.00768 0.9720029 2.213215       0.2887262 2.570429       0.4493753 1.962080       0.3767890 2.022464       1.944006  
1 1 1 -8  19 33 o 60.73450 1.122388  36.85221       1.358530  38.40377       2.023538  35.57900       1.833056  2.310711       2.244776  
1 1 1 -8  19 34 o 14.12967 1.102011  2.077344       0.2984658 1.672060       0.4657471 2.359759       0.3887890 -2.439293      2.204022  
1 1 1 -8  19 35 o 12.79925 1.388155  1.901529       0.3081781 0.8899841      0.4674571 2.679158       0.4098600 -7.109846      2.776310  
1 1 1 -8  19 36 o 78.22708 0.9393011 61.24711       1.468572  59.27595       2.031583  63.40440       2.125337  -2.631378      1.878602  
1 1 1 -8  19 37 o 68.97694 0.8655055 47.66647       1.193617  47.80022       1.710885  47.53964       1.666066  0.1853638      1.731011  
1 1 1 -8  19 38 o 35.10359 0.7252004 12.32984       0.5058581 10.51650       0.7000287 14.31158       0.7318119 -5.403206      1.450401  
1 1 1 -8  19 39 o 27.36241 0.7722936 7.392023       0.4184547 8.262380       0.6497843 6.775294       0.5469756 2.708988       1.544587  
1 1 1 -8  19 40 o 86.53866 1.023149  74.61826       1.762906  69.88195       2.360581  80.59094       2.650840  -6.153732      2.046298  
1 1 1 -8  19 41 o 31.46570 0.7535584 9.876113       0.4718879 10.34653       0.7096004 9.503142       0.6318470 1.333006       1.507117  
1 1 1 -8  19 42 o 21.81709 0.9203700 4.849243       0.3953280 4.139653       0.5825614 5.454932       0.5382237 -3.019632      1.840740  
1 1 1 -8  19 43 o 44.70178 0.7570344 19.97313       0.6744606 20.64005       1.002975  19.42260       0.9112684 1.352272       1.514069  
1 1 1 -8  19 44 o 6.615416 1.788986  0.2975015      0.3280700 0.3737366      0.4983704 0.2392026      0.4358181 0.7979584      3.577971  
1 1 1 -8  19 45 o 45.93972 0.7794212 21.17929       0.7150806 20.71294       1.032820  21.60867       0.9910273 -0.9797325     1.558842  
1 1 1 -8  19 46 f 43.51687 0.7882584 19.01648       0.6844594 18.60387       0.9963318 19.38524       0.9419034 -0.9049072     1.576517  
1 1 1 -8  19 47 o 78.25202 1.392801  61.52675       2.168757  64.68325       3.265126  59.03468       2.901199  3.519897       2.785602  
1 1 1 -8  19 48 o 18.49003 1.318240  3.550332       0.4729731 4.117445       0.6338936 2.838075       0.7103944 3.477240       2.636481  
1 1 1 -8  19 49 o 42.29833 0.8024459 17.96541       0.6778664 17.74289       0.9819608 18.16799       0.9369203 -0.5095215     1.604892  
1 1 1 -8  19 50 o 13.94051 1.480603  2.056564       0.3883917 1.684719       0.5949727 2.332683       0.5127016 -2.541465      2.961206  
1 1 1 -8  19 51 o 40.40773 0.8628705 16.38349       0.6966183 15.96523       0.9593801 16.84994       1.013152  -1.084366      1.725741  
1 1 1 -8  19 52 o 37.14454 1.036145  13.86354       0.7612258 13.70358       1.002019  14.08186       1.170606  -0.4697571     2.072290  
1 1 1 -8  19 53 o 42.01509 1.131003  17.81165       0.9502916 17.70504       1.350841  17.91609       1.337095  -0.2549973     2.262006  
1 1 1 -8  19 54 o 24.24792 1.399551  5.919136       0.6763983 6.586380       1.003265  5.363108       0.9158449 2.492584       2.799101  
1 1 1 -8  20 1  o 85.89196 0.9820206 73.80502       1.686893  74.22987       2.397950  73.38880       2.373494  0.4891968      1.964041  
1 1 1 -8  20 2  o 171.5171 1.817735  293.9713       6.223488  305.0746       9.147301  284.4022       8.491882  6.006119       3.635470  
1 1 1 -8  20 3  o 85.81165 0.9813954 73.32360       1.678496  77.70789       2.502918  69.74044       2.262717  4.638420       1.962791  
1 1 1 -8  20 4  o 134.6505 1.448813  181.2413       3.897340  176.5321       5.361984  186.5156       5.674635  -3.699524      2.897626  
1 1 1 -8  20 5  o 141.0858 1.514327  198.5717       4.260710  190.6206       5.768804  208.1147       6.319951  -6.185623      3.028654  
1 1 1 -8  20 6  o 83.34128 0.9604477 69.48292       1.600800  69.99629       2.279279  68.98320       2.248775  0.6072922      1.920895  
1 1 1 -8  20 7  o 152.1913 1.623723  231.2925       4.931056  223.1530       6.707534  240.8649       7.273990  -5.802872      3.247446  
1 1 1 -8  20 8  o 146.5091 1.568440  214.9129       4.595746  215.6952       6.521047  214.1409       6.477901  0.5292511      3.136880  
1 1 1 -8  20 9  o 199.2726 2.100222  397.1916       8.355494  385.0012       11.41705  411.2505       12.26094  -6.553314      4.200445  
1 1 1 -8  20 10 o 171.2264 1.816757  293.5385       6.218320  288.4904       8.629492  298.9908       8.968358  -3.054260      3.633515  
1 1 1 -8  20 11 o 251.4885 2.637785  634.5709       13.25959  623.0892       18.37785  647.0373       19.14976  -4.719681      5.275570  
1 1 1 -8  20 12 f 110.8002 1.219185  122.8731       2.701655  123.4603       3.836968  122.2957       3.804671  0.5246964      2.438371  
1 1 1 -8  20 13 o 129.8754 1.404453  168.8237       3.646974  166.5195       5.083112  171.2682       5.235464  -1.823425      2.808907  
1 1 1 -8  20 14 o 61.67309 0.9439083 38.63894       1.124995  35.67162       1.805872  40.52085       1.438153  -3.939293      1.887817  
1 1 1 -8  20 15 o 123.9189 1.897442  153.8595       4.700751  151.3269       6.538725  156.5685       6.762661  -2.104675      3.794885  
1 1 1 -8  20 16 o 88.44849 1.417318  77.09170       2.476507  86.20906       3.886518  70.85920       3.213343  8.652725       2.834635  
1 1 1 -8  20 17 o 149.7722 2.264966  225.0208       6.779736  220.2082       9.377176  230.2919       9.813704  -3.338867      4.529932  
1 1 1 -8  20 18 o 66.36359 1.015084  41.14099       1.194224  38.09743       1.374746  50.50075       2.410817  -9.313534      2.030168  
1 1 1 -8  20 19 o 208.0840 2.195847  434.8655       9.137938  432.4839       12.84506  437.3059       13.00237  -1.147537      4.391694  
1 1 1 -8  20 20 o 122.4468 1.661827  146.0956       3.684389  140.7014       4.328775  160.2765       7.018680  -7.845634      3.323654  
1 1 1 -8  20 21 o 34.73401 0.9668161 11.89327       0.6665374 10.43526       0.8819144 13.83555       1.017894  -4.890198      1.933632  
1 1 1 -8  20 22 o 94.51255 1.524072  89.42532       2.877609  87.13721       3.958076  91.99066       4.191013  -2.554230      3.048144  
1 1 1 -8  20 23 f 18.48805 1.195145  3.429544       0.4391667 2.952524       0.6137310 3.930100       0.6286901 -2.643055      2.390291  
1 1 1 -8  20 24 o 91.91240 1.488609  84.71571       2.736429  84.87936       3.871411  84.55232       3.868381  0.1776962      2.977217  
1 1 1 -8  20 25 o 20.62566 1.162808  4.156789       0.4700083 5.551720       0.7242183 3.141745       0.6177822 5.836527       2.325616  
1 1 1 -8  20 26 o 39.88044 0.8392733 16.13884       0.6248401 15.30065       1.088115  16.55122       0.7632227 -1.580864      1.678547  
1 1 1 -8  20 27 o 142.5012 1.863361  206.8985       5.134089  192.5136       8.246465  216.0032       6.560668  -8.402176      3.726722  
1 1 1 -8  20 28 o 44.01268 0.6915966 19.34256       0.6079577 18.03194       0.8395441 20.78763       0.8815577 -3.128986      1.383193  
1 1 1 -8  20 29 o 80.87787 0.9509262 65.46271       1.537592  63.94297       2.138684  67.08866       2.212142  -1.940788      1.901852  
1 1 1 -8  20 30 o 52.51004 0.7372636 27.60376       0.7741301 27.28018       1.101245  27.91986       1.088438  -0.6096764     1.474527  
1 1 1 -8  20 31 o 23.99116 1.051007  5.946833       0.4880239 4.434424       0.7135642 7.275976       0.6689356 -5.925222      2.102013  
1 1 1 -8  20 32 o 14.98795 1.114297  2.410241       0.3081848 1.415704       0.4511920 3.280058       0.4219539 -6.221622      2.228593  
1 1 1 -8  20 33 o 76.70743 0.9247773 58.94894       1.418681  58.77222       2.014231  59.12290       1.998496  -0.2296829     1.849555  
1 1 1 -8  20 34 o 55.79663 0.7701958 31.16910       0.8592966 30.25625       1.206386  32.10922       1.224269  -1.659325      1.540392  
1 1 1 -8  20 35 o 80.28815 0.9577426 64.43169       1.534347  67.11412       2.264080  62.15342       2.086562  3.074272       1.915485  
1 1 1 -8  20 36 o 92.27676 1.064455  85.21602       1.961490  81.90955       2.684819  89.00127       2.872628  -3.822960      2.128911  
1 1 1 -8  20 37 o 28.87022 0.7500622 8.354904       0.4309034 8.286469       0.6410757 8.411302       0.5819802 -0.2208290     1.500124  
1 1 1 -8  20 38 o 46.91738 0.7428405 22.06218       0.6964983 21.07309       0.9855492 23.04906       0.9844464 -2.105896      1.485681  
1 1 1 -8  20 39 o 21.80101 0.8827694 4.575535       0.3771619 5.918518       0.6082882 3.736766       0.4807233 4.990494       1.765539  
1 1 1 -8  20 40 o 73.41927 0.9145358 54.07021       1.342779  53.57067       1.905195  54.56326       1.892818  -0.6774063     1.829072  
1 1 1 -8  20 41 o 100.3487 1.152712  101.0290       2.310844  97.58162       3.176937  104.9023       3.367430  -3.618019      2.305424  
1 1 1 -8  20 42 o 25.93106 0.8192272 6.776989       0.4220592 6.373842       0.6224131 7.120162       0.5742549 -1.444496      1.638454  
1 1 1 -8  20 43 o 23.45988 0.9106837 5.613209       0.4196759 4.534883       0.6060798 6.606505       0.5816936 -4.418434      1.821367  
1 1 1 -8  20 44 f 35.97186 1.010975  13.25776       0.6620169 12.35777       1.199982  13.65153       0.7937376 -1.859486      2.021951  
1 1 1 -8  20 45 o 11.42754 2.173252  1.290202       0.4958178 1.790478       0.8313040 1.013975       0.6177166 3.076637       4.346505  
1 1 1 -8  20 46 o 76.04169 0.9577377 58.04335       1.455393  59.14579       2.108297  57.03974       2.011581  1.368462       1.915475  
1 1 1 -8  20 47 o 28.09286 0.8470756 7.819034       0.4720543 8.722475       0.7264854 7.158855       0.6210228 2.766645       1.694151  
1 1 1 -8  20 48 f 16.50973 1.228581  2.758323       0.3991548 2.692841       0.6185668 2.805044       0.5224963 -0.3630028     2.457163  
1 1 1 -8  20 49 o 12.41182 1.642259  1.642288       0.3895483 1.327890       0.5938832 1.879707       0.5160824 -2.453292      3.284518  
1 1 1 -8  20 50 o 28.52936 0.8832603 8.192440       0.5002913 8.063986       0.7512401 8.294810       0.6706382 -0.4202728     1.766521  
1 1 1 -8  20 51 o 39.93859 1.028979  16.11380       0.8151348 16.51393       1.093033  15.61243       1.223522  1.159229       2.057957  
1 1 1 -8  20 52 o 21.24702 1.400113  4.556186       0.5934443 4.874424       0.8784568 4.289027       0.8048762 1.351807       2.800227  
1 1 1 -8  20 53 f 12.50552 3.184144  0.000000       0.000000  ?              ?         1.679788       0.7986955 ?              ?         
1 1 1 -8  21 1  o 238.8893 2.508250  572.0036       11.96471  555.3482       16.37630  591.0736       17.52318  -7.409714      5.016501  
1 1 1 -8  21 2  o 118.8655 1.296063  141.4368       3.080969  142.3311       4.385306  140.5652       4.329526  0.7411041      2.592127  
1 1 1 -8  21 3  f 100.9839 1.123852  101.8314       2.265744  98.43964       3.094578  105.7506       3.326466  -3.613808      2.247704  
1 1 1 -8  21 4  o 208.4410 2.195521  435.7471       9.150799  440.9109       13.10355  430.8316       12.78471  2.401443       4.391042  
1 1 1 -8  21 5  o 58.55946 0.7572422 34.21732       0.8855686 35.93136       1.296112  32.71656       1.212801  2.743431       1.514484  
1 1 1 -8  21 6  o 124.6704 1.352041  155.2437       3.364474  150.0693       4.587690  161.2653       4.948995  -4.478683      2.704081  
1 1 1 -8  21 7  o 20.70797 0.7479328 4.310039       0.3077276 4.865260       0.4343643 3.750561       0.4360256 2.691502       1.495866  
1 1 1 -8  21 8  o 80.87596 0.9404924 65.35261       1.519563  63.52460       2.090064  67.40234       2.213191  -2.394516      1.880985  
1 1 1 -8  21 9  o 146.8618 1.572354  216.0471       4.618120  214.7939       6.490269  217.3324       6.572524  -0.8610229     3.144709  
1 1 1 -8  21 10 o 51.99397 0.7201838 26.90573       0.7466561 25.30961       1.009216  28.83587       1.109798  -3.389153      1.440368  
1 1 1 -8  21 11 o 87.52194 1.290765  75.78994       2.189248  80.30119       3.615880  73.17919       2.750725  4.038658       2.581529  
1 1 1 -8  21 12 o 80.14172 1.308733  63.30273       2.073472  58.07744       2.695798  70.87172       3.244521  -7.961906      2.617465  
1 1 1 -8  21 13 o 119.1765 1.829887  142.4309       4.361563  142.6206       6.180610  142.2428       6.155827  0.1571655      3.659773  
1 1 1 -8  21 14 o 20.75444 0.9435977 4.611703       0.3654381 5.670742       0.4789920 3.136763       0.5652744 6.107073       1.887195  
1 1 1 -8  21 15 o 52.35430 0.7231356 26.88362       0.7487671 31.19171       1.170189  23.89688       0.9743429 6.962158       1.446271  
1 1 1 -8  21 16 o 69.44264 0.8457626 48.24662       1.174498  47.70332       1.645466  48.81091       1.676965  -0.7966003     1.691525  
1 1 1 -8  21 17 o 71.75980 0.8682135 51.53234       1.246056  51.57994       1.762885  51.48481       1.761495  0.6624603E-01  1.736427  
1 1 1 -8  21 18 o 136.7905 1.477176  187.4431       4.039681  190.5929       5.811734  184.4985       5.619079  2.217346       2.954351  
1 1 1 -8  21 19 o 95.93205 1.083329  91.57109       2.068713  86.55010       2.767751  97.92671       3.113959  -5.914665      2.166657  
1 1 1 -8  21 20 o 36.17128 0.6646350 12.91280       0.4773266 11.12742       0.6361337 15.21327       0.7220909 -5.645462      1.329270  
1 1 1 -8  21 21 o 108.2869 1.199076  117.0695       2.590017  112.2398       3.511971  122.8284       3.834981  -4.871788      2.398153  
1 1 1 -8  21 22 o 30.15069 0.6819155 8.701851       0.4014889 11.86862       0.6443251 6.691851       0.5133275 8.580740       1.363831  
1 1 1 -8  21 23 o 122.7642 1.341898  150.6512       3.287231  145.1219       4.470952  157.1573       4.849818  -4.877388      2.683797  
1 1 1 -8  21 24 o 26.37737 0.7419832 6.741837       0.3729180 4.279533       0.4851931 10.29603       0.5829273 -11.40111      1.483966  
1 1 1 -8  21 25 f 99.63527 1.119671  99.44250       2.230826  100.3562       3.188518  98.56639       3.122255  0.8942413      2.239343  
1 1 1 -8  21 26 o 58.52614 0.7718800 34.06808       0.9001730 31.82998       1.211100  36.83076       1.345565  -4.266571      1.543760  
1 1 1 -8  21 27 f 52.61592 0.7384336 27.61777       0.7757689 26.01906       1.061281  29.45214       1.136815  -3.259171      1.476867  
1 1 1 -8  21 28 o 53.99444 0.9306995 28.51745       0.9259186 27.50607       1.102080  30.94450       1.707250  -3.148598      1.861399  
1 1 1 -8  21 29 o 58.92289 1.596644  34.80655       1.881577  34.80655       1.881577  ?              ?         ?              ?         
1 1 1 -8  21 30 o 41.69502 0.9992499 17.40160       0.8327696 17.91695       1.203656  16.92840       1.153380  1.181931       1.998500  
1 1 1 -8  21 31 f 38.55417 0.9849525 14.68563       0.7541193 17.00468       1.147998  12.92531       1.000187  5.279408       1.969905  
1 1 1 -8  21 32 o 35.18869 0.9871885 12.39012       0.6932026 11.27021       0.9608114 13.60593       1.001102  -3.315571      1.974377  
1 1 1 -8  21 33 o 45.03566 1.018914  20.24707       0.9157601 18.89503       1.247546  21.82677       1.348499  -3.245869      2.037829  
1 1 1 -8  21 34 o 67.56401 1.215424  45.82976       1.642274  46.18527       2.338626  45.48386       2.306753  0.5153122      2.430847  
1 1 1 -8  21 35 o 35.69517 1.016860  12.70046       0.7231451 11.29211       0.9831776 14.36033       1.067365  -4.288914      2.033720  
1 1 1 -8  21 36 o 23.63719 0.9993820 5.403171       0.4360577 6.124531       0.8086391 5.107400       0.5177932 2.120472       1.998764  
1 1 1 -8  21 37 o 69.26566 1.068290  48.68100       1.406368  46.43259       2.366078  49.90932       1.748826  -2.584663      2.136580  
1 1 1 -8  21 38 o 56.37256 0.8678259 31.71244       0.9545140 32.53745       1.537391  31.19495       1.217622  1.156532       1.735652  
1 1 1 -8  21 39 f 21.35395 0.9121032 4.680604       0.3802459 3.902415       0.5715547 5.298527       0.5093096 -3.276356      1.824206  
1 1 1 -8  21 40 o 45.49830 0.7549475 20.73056       0.6856334 20.99281       1.004266  20.50161       0.9383509 0.5330086      1.509895  
1 1 1 -8  21 41 o 34.39138 0.8420120 11.87574       0.5581124 11.80935       0.9204542 11.91434       0.7018499 -0.1788712     1.684024  
1 1 1 -8  21 42 f 30.74908 1.143486  9.609902       0.6948240 8.629387       1.031145  10.42539       0.9403750 -2.935593      2.286973  
1 1 1 -8  21 43 o 31.02175 0.9561462 9.661168       0.5790473 9.651164       0.7421466 9.676735       0.9257515 -0.1284218E-01 1.912292  
1 1 1 -8  21 44 o 48.38094 0.7952871 23.48848       0.7686981 23.30519       1.110962  23.65684       1.064719  -0.3698769     1.590574  
1 1 1 -8  21 45 o 53.53528 0.8149679 28.77206       0.8718858 28.27423       1.251883  29.24100       1.215009  -0.9082489     1.629936  
1 1 1 -8  21 46 o 6.212809 1.788727  0.1574501      0.3456240 0.1559693      0.5391614 0.1584831      0.4503200 0.4501014      3.577454  
1 1 1 -8  21 47 o 15.75609 1.249230  2.543432       0.3841600 2.302111       0.5962619 2.714694       0.5023084 -1.332368      2.498460  
1 1 1 -8  21 48 o 43.52145 0.8018503 18.83298       0.6928027 20.48483       1.060388  17.60271       0.9151254 3.285728       1.603701  
1 1 1 -8  21 49 o 26.60445 0.9396474 7.248186       0.4906285 6.123280       0.7281040 8.183795       0.6640221 -3.885565      1.879295  
1 1 1 -8  21 50 o 51.10715 1.016848  26.26159       0.9998859 26.16675       1.252584  26.42819       1.660071  -0.1601868     2.033697  
1 1 1 -8  21 51 o 15.47228 1.832917  2.460730       0.5528746 2.790853       0.8296629 2.197032       0.7415083 2.097176       3.665835  
1 1 1 -8  21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  22 1  o 89.26764 1.014907  79.76228       1.811966  79.79819       2.561609  79.72630       2.563404  0.4032135E-01  2.029814  
1 1 1 -8  22 2  o 38.92043 0.6470228 14.64525       0.4947994 12.40242       0.6325716 18.18056       0.7941903 -7.419655      1.294046  
1 1 1 -8  22 3  o 77.14142 0.9067947 59.46245       1.397619  61.49434       2.032980  57.64154       1.924539  2.494080       1.813589  
1 1 1 -8  22 4  o 158.9733 1.695081  253.2320       5.386834  258.0165       7.764979  248.7932       7.479317  2.885361       3.390162  
1 1 1 -8  22 5  o 101.3582 1.131097  102.5377       2.287672  107.3656       3.376450  98.44066       3.110413  4.392990       2.262195  
1 1 1 -8  22 6  o 46.65160 0.6829708 21.67934       0.6356756 20.45582       0.8628893 23.13136       0.9400167 -2.865868      1.365942  
1 1 1 -8  22 7  o 113.5488 1.502820  130.9011       3.307773  121.9165       5.282384  136.6966       4.242525  -6.558731      3.005641  
1 1 1 -8  22 8  o 128.6602 1.959558  166.1285       5.042314  166.3620       7.144990  165.8969       7.116910  0.1789246      3.919116  
1 1 1 -8  22 9  o 93.48763 1.474903  87.41070       2.753571  90.52508       4.029396  84.68198       3.771646  3.112358       2.949805  
1 1 1 -8  22 10 o 60.32998 0.9339488 35.89421       1.058406  34.91979       1.283274  37.96721       1.871735  -2.507278      1.867898  
1 1 1 -8  22 11 o 140.3403 1.510298  196.8220       4.229276  205.3528       6.241993  189.5821       5.750403  5.593369       3.020595  
1 1 1 -8  22 12 o 66.05646 0.8186188 43.58694       1.080355  45.30520       1.572808  42.05198       1.486544  2.459999       1.637238  
1 1 1 -8  22 13 f 134.9681 1.458107  182.5392       3.935563  184.0813       5.613752  181.0487       5.518914  1.118408       2.916214  
1 1 1 -8  22 14 o 21.56538 0.7591665 4.614390       0.3229994 3.641737       0.4366965 5.789211       0.4799398 -4.977730      1.518333  
1 1 1 -8  22 15 o 57.16338 0.7551045 32.58091       0.8614103 30.97707       1.171880  34.46614       1.270528  -3.048767      1.510209  
1 1 1 -8  22 16 o 29.15259 0.6782432 8.472434       0.3944396 9.372875       0.5758439 7.676512       0.5413924 2.908440       1.356486  
1 1 1 -8  22 17 o 133.0326 1.441024  177.4066       3.833436  175.5686       5.363272  179.3263       5.481246  -1.404709      2.882047  
1 1 1 -8  22 18 o 136.7291 1.478550  187.4738       4.043172  187.9608       5.733933  186.9921       5.702017  0.3520966      2.957101  
1 1 1 -8  22 19 o 92.93216 1.057171  86.31225       1.961855  89.59781       2.873013  83.44170       2.685440  3.302826       2.114341  
1 1 1 -8  22 20 o 96.61034 1.089442  93.41486       2.103660  95.45220       3.041616  91.54668       2.912622  2.014389       2.178885  
1 1 1 -8  22 21 o 69.57813 0.8529425 48.42308       1.186182  49.52383       1.714483  47.41239       1.642840  1.514175       1.705885  
1 1 1 -8  22 22 o 59.77945 0.7797588 35.61601       0.9293903 37.64676       1.381844  33.93862       1.255880  3.096279       1.559518  
1 1 1 -8  22 23 o 81.88965 0.9586881 67.15466       1.570129  67.05587       2.221640  67.25326       2.219358  -0.1206436     1.917376  
1 1 1 -8  22 24 o 31.00813 0.6777342 9.567511       0.4190708 10.39238       0.6219484 8.881600       0.5671467 2.433990       1.355468  
1 1 1 -8  22 25 o 112.9164 1.250929  127.5705       2.820076  123.4255       3.853624  132.3497       4.137915  -3.929802      2.501858  
1 1 1 -8  22 26 o 20.52297 0.8025790 4.261717       0.3254836 3.570618       0.4665046 4.917252       0.4543430 -3.281452      1.605158  
1 1 1 -8  22 27 o 133.4809 2.054726  179.5283       5.482391  175.6701       7.603277  183.7067       7.912508  -2.965790      4.109451  
1 1 1 -8  22 28 o 58.79646 0.7808129 34.61446       0.9181225 34.42617       1.303563  34.79981       1.293340  -0.3183098     1.561626  
1 1 1 -8  22 29 o 97.66312 1.108229  95.63158       2.164542  94.73767       3.041754  96.54863       3.080872  -0.9237442     2.216457  
1 1 1 -8  22 30 o 49.79453 0.7340630 24.33038       0.7224009 28.13617       1.133116  21.72425       0.9376699 6.426357       1.468126  
1 1 1 -8  22 31 o 41.44048 0.9980293 17.18131       0.8263090 16.41910       1.137700  18.03228       1.202114  -1.940655      1.996059  
1 1 1 -8  22 32 o 21.53380 0.8447762 4.402320       0.3517326 6.438385       0.5693153 3.145391       0.4473138 7.636147       1.689552  
1 1 1 -8  22 33 o 63.41250 0.8272565 40.28699       1.048786  40.49276       1.505349  40.09291       1.462016  0.3115425      1.654513  
1 1 1 -8  22 34 f 60.52843 0.8089204 36.46857       0.9745842 39.11000       1.467781  34.38577       1.303362  3.888187       1.617841  
1 1 1 -8  22 35 o 12.41365 1.267015  1.526900       0.3119110 1.722569       0.4808158 1.384727       0.4098517 1.350431       2.534030  
1 1 1 -8  22 36 o 72.26555 0.9022297 52.32600       1.303446  50.71479       1.812324  54.05247       1.876027  -2.302284      1.804459  
1 1 1 -8  22 37 o 22.15930 0.8729360 4.982465       0.3819695 4.437744       0.5668070 5.435652       0.5169955 -2.257307      1.745872  
1 1 1 -8  22 38 o 24.36635 0.8386161 5.899858       0.4064973 6.473580       0.6149907 5.454724       0.5417057 2.082350       1.677232  
1 1 1 -8  22 39 o 55.05412 1.138672  30.32059       1.250456  27.60870       1.706592  33.46440       1.837478  -5.297115      2.277344  
1 1 1 -8  22 40 o 60.12986 1.187679  36.36492       1.427352  36.42698       2.057118  36.30729       1.982131  0.8649826E-01  2.375358  
1 1 1 -8  22 41 o 42.19414 0.9327297 17.88541       0.7551157 17.92118       0.9437324 17.82175       1.258911  0.1629753      1.865459  
1 1 1 -8  22 42 o 67.24858 1.088058  45.27948       1.383837  44.85885       1.696648  46.11543       2.391808  -0.8056107     2.176115  
1 1 1 -8  22 43 o 11.54310 1.864468  1.411732       0.4191340 1.442219       0.5594851 1.372738       0.6327420 0.3216591      3.728937  
1 1 1 -8  22 44 o 65.36917 1.137061  43.20698       1.461437  44.12526       1.911475  41.91492       2.267365  1.763367       2.274122  
1 1 1 -8  22 45 o 22.90985 1.339328  5.331607       0.6063108 4.356674       0.8513187 6.335155       0.8637220 -4.314768      2.678656  
1 1 1 -8  22 46 f 35.39240 1.113279  12.61546       0.7875279 12.60489       1.133880  12.62531       1.094622  -0.3769302E-01 2.226557  
1 1 1 -8  22 47 o 30.78663 1.168870  9.523326       0.7181289 10.12108       1.059419  9.015191       0.9767815 1.774439       2.337740  
1 1 1 -8  22 48 o 26.83890 1.264259  7.330036       0.6734079 6.511145       0.9732778 8.082075       0.9327028 -2.937969      2.528517  
1 1 1 -8  22 49 f 23.22462 1.365443  5.488618       0.6295322 5.206817       0.9345273 5.722734       0.8517984 -1.137661      2.730886  
1 1 1 -8  22 50 o 12.64585 2.024241  1.752416       0.5240418 0.9828086      0.7757288 2.398477       0.7107422 -5.393796      4.048482  
1 1 1 -8  22 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  23 1  f 48.98832 0.6954721 23.37376       0.6705899 20.58030       0.8599306 27.70861       1.071220  -7.269432      1.390944  
1 1 1 -8  23 2  o 50.81985 0.7079111 25.83634       0.7194451 26.30164       1.025567  25.38550       1.009520  0.9008942      1.415822  
1 1 1 -8  23 3  o 42.90870 0.7941505 17.06286       0.6281976 21.98324       1.194386  15.18119       0.7386125 7.911434       1.588301  
1 1 1 -8  23 4  o 111.7969 1.723306  125.2469       3.849094  128.8417       5.601243  122.0305       5.298267  3.024963       3.446613  
1 1 1 -8  23 5  o 122.9665 1.881764  150.9944       4.607526  160.4033       6.917255  143.4906       6.177386  6.819862       3.763527  
1 1 1 -8  23 6  f 93.96725 1.352152  88.77611       2.508738  90.38043       3.311366  86.61461       3.843616  2.033516       2.704305  
1 1 1 -8  23 7  f 113.0382 1.244318  127.9405       2.811986  130.4489       4.046811  125.5987       3.910205  2.138222       2.488636  
1 1 1 -8  23 8  o 120.1536 1.312230  144.1370       3.144339  151.4493       4.664760  138.0480       4.256731  5.553741       2.624460  
1 1 1 -8  23 9  o 49.09190 0.6970533 24.11345       0.6843590 24.00466       0.9621798 24.22484       0.9735804 -0.2239075     1.394107  
1 1 1 -8  23 10 o 135.7712 1.465888  184.7511       3.979065  187.8038       5.720751  181.8900       5.538183  2.165985       2.931776  
1 1 1 -8  23 11 o 60.68795 0.7794468 36.80771       0.9452167 35.70211       1.303519  38.03368       1.372634  -1.918533      1.558894  
1 1 1 -8  23 12 o 152.2878 1.631773  232.5991       4.968081  236.4308       7.145579  229.0138       6.912091  2.417938       3.263545  
1 1 1 -8  23 13 o 84.37801 0.9762422 71.27602       1.647308  71.87878       2.349408  70.69312       2.310374  0.7008362      1.952484  
1 1 1 -8  23 14 o 78.19270 0.9225199 61.18187       1.442199  60.18043       2.008182  62.24848       2.072494  -1.319618      1.845040  
1 1 1 -8  23 15 o 23.89555 0.7378507 5.611620       0.3448817 7.528653       0.5242913 4.149384       0.4578958 7.068590       1.475701  
1 1 1 -8  23 16 o 40.71782 0.6734866 16.54108       0.5476474 15.58794       0.7510400 17.62331       0.8002839 -2.497704      1.346973  
1 1 1 -8  23 17 o 8.668477 1.541867  0.7857730      0.2680045 0.8768532      0.3739176 0.6895508      0.3843279 0.9982605      3.083734  
1 1 1 -8  23 18 o 35.21392 0.6711313 12.40732       0.4726294 12.51135       0.6733310 12.30629       0.6635734 0.2908249      1.342263  
1 1 1 -8  23 19 o 88.43143 1.019555  78.16613       1.800373  75.64300       2.464011  81.05599       2.637007  -3.050987      2.039110  
1 1 1 -8  23 20 o 45.39062 0.7013950 20.60525       0.6365215 21.21854       0.9141697 20.02813       0.8868082 1.310230       1.402790  
1 1 1 -8  23 21 o 50.46635 0.7218997 25.43251       0.7276113 26.56738       1.064045  24.43576       0.9972003 2.109104       1.443799  
1 1 1 -8  23 22 o 52.54118 0.7399893 27.63064       0.7775686 27.40478       1.093875  27.86133       1.105514  -0.4339333     1.479979  
1 1 1 -8  23 23 f 71.31189 0.8730846 50.71824       1.242017  48.11407       1.684127  53.82351       1.839031  -3.993912      1.746169  
1 1 1 -8  23 24 o 94.46085 1.518794  88.45994       2.842418  81.56020       3.723248  98.09905       4.400728  -8.681984      3.037588  
1 1 1 -8  23 25 o 37.81574 0.6809253 14.31535       0.5147802 13.79465       0.7259539 14.84198       0.7300819 -1.384586      1.361851  
1 1 1 -8  23 26 o 121.4852 1.334919  147.8457       3.238231  143.0522       4.430395  153.3438       4.744862  -4.203751      2.669837  
1 1 1 -8  23 27 o 50.21111 0.7322388 25.14700       0.7332278 26.46530       1.087847  24.04950       0.9925713 2.399914       1.464478  
1 1 1 -8  23 28 o 92.98959 1.067829  86.63150       1.984761  84.51437       2.749580  88.93478       2.867910  -2.365959      2.135659  
1 1 1 -8  23 29 o 15.77737 0.9886253 2.506265       0.3087374 2.416360       0.4669336 2.576102       0.4115356 -0.5112715     1.977251  
1 1 1 -8  23 30 o 23.08570 1.148634  5.301551       0.5211497 4.052907       0.7030063 6.824894       0.7764953 -5.995300      2.297268  
1 1 1 -8  23 31 o 38.33596 0.7111772 14.72710       0.5448525 14.08541       0.7715495 15.36543       0.7695300 -1.669632      1.422354  
1 1 1 -8  23 32 o 8.775852 1.637996  0.7906840      0.2906246 0.9311785      0.4428043 0.6843653      0.3852005 1.298095       3.275991  
1 1 1 -8  23 33 o 59.94071 0.8042594 36.00019       0.9638018 36.17292       1.383418  35.83729       1.343501  0.2762489      1.608519  
1 1 1 -8  23 34 f 33.16498 0.7269521 11.02747       0.4817125 10.80111       0.6924354 11.23977       0.6705789 -0.6632843     1.453904  
1 1 1 -8  23 35 o 35.93042 0.7311269 12.84611       0.5204374 10.55677       0.7069348 15.55505       0.7689947 -6.949612      1.462254  
1 1 1 -8  23 36 o 58.28874 1.146907  34.08371       1.335403  31.85364       1.848107  36.52023       1.931759  -3.989986      2.293815  
1 1 1 -8  23 37 o 28.54570 1.134169  8.344949       0.6350974 6.832146       0.9296082 9.669074       0.8697077 -4.978439      2.268338  
1 1 1 -8  23 38 o 61.62746 0.8425048 37.95543       1.036570  35.62286       1.416874  40.64154       1.520463  -4.059036      1.685010  
1 1 1 -8  23 39 o 11.15874 1.517982  1.480724       0.3314485 0.4390377      0.5050977 2.268506       0.4392484 -7.736835      3.035963  
1 1 1 -8  23 40 f 17.92843 1.074874  3.063307       0.3730413 4.446407       0.6039769 2.210259       0.4743298 6.213132       2.149747  
1 1 1 -8  23 41 o 90.53923 1.072785  82.43315       1.942000  82.85280       2.783756  82.03530       2.710513  0.4376221      2.145569  
1 1 1 -8  23 42 o 22.18795 0.9873015 5.126453       0.4218116 3.755832       0.6210579 6.300090       0.5746991 -5.741278      1.974603  
1 1 1 -8  23 43 o 46.25805 0.7932008 21.48192       0.7326519 21.24970       1.063674  21.69155       1.010613  -0.4855537     1.586402  
1 1 1 -8  23 44 o 35.98924 0.8061963 13.05581       0.5777562 11.98742       0.8316101 14.05262       0.8032681 -2.873714      1.612393  
1 1 1 -8  23 45 o 29.34979 0.8683098 8.685733       0.5076435 8.177066       0.7374629 9.143829       0.6998458 -1.654009      1.736620  
1 1 1 -8  23 46 o 29.52651 0.8853238 8.825866       0.5170026 8.259318       0.7767277 9.276541       0.6927599 -1.738846      1.770648  
1 1 1 -8  23 47 f 30.07410 0.8676364 9.046584       0.5182981 9.436584       0.7868454 8.747671       0.6888577 1.125820       1.735273  
1 1 1 -8  23 48 f 30.92889 0.9765334 9.537043       0.5846689 9.997695       0.9658024 9.270569       0.7345611 1.119322       1.953067  
1 1 1 -8  23 49 f 22.07608 1.486306  4.979245       0.6487888 4.114100       0.9145064 5.855912       0.9205757 -3.942842      2.972612  
1 1 1 -8  24 1  o 9.899271 1.416425  0.9975591      0.2753796 0.7067745      0.3756088 1.335521       0.4049334 -3.290006      2.832850  
1 1 1 -8  24 2  o 60.38190 0.9174744 37.04670       1.081198  39.36508       1.410673  33.74569       1.683284  4.665150       1.834949  
1 1 1 -8  24 3  o 108.2507 1.199143  117.2054       2.592783  121.3062       3.785582  113.5819       3.558448  3.554604       2.398286  
1 1 1 -8  24 4  o 33.02899 0.6518864 10.68634       0.4257021 13.18560       0.6551046 8.859599       0.5600713 6.545809       1.303773  
1 1 1 -8  24 5  o 113.8800 1.252320  129.8821       2.850880  132.4900       4.110401  127.4647       3.957454  2.197113       2.504640  
1 1 1 -8  24 6  o 145.5032 1.564580  212.4102       4.552764  213.7857       6.480699  211.0699       6.397273  0.9269104      3.129160  
1 1 1 -8  24 7  f 11.97412 1.062261  1.443369       0.2530797 1.547182       0.3495690 1.329023       0.3668753 0.9118586      2.124522  
1 1 1 -8  24 8  o 65.78664 0.8196419 43.30861       1.078262  43.93414       1.541631  42.70953       1.508688  0.9294052      1.639284  
1 1 1 -8  24 9  o 74.76242 0.8949107 55.31223       1.327798  61.09846       2.037881  51.04370       1.750329  6.711494       1.789821  
1 1 1 -8  24 10 o 34.76255 0.6554192 12.09209       0.4555956 12.40141       0.6461324 11.78624       0.6425019 0.8846817      1.310838  
1 1 1 -8  24 11 o 34.33708 0.6601586 11.50095       0.4475835 9.637673       0.5829643 14.17643       0.6985595 -6.605133      1.320317  
1 1 1 -8  24 12 o 30.60393 0.6739820 9.353642       0.4118126 8.608333       0.5697612 10.16890       0.5958996 -2.548689      1.347964  
1 1 1 -8  24 13 o 54.50106 0.7438426 29.71477       0.8105949 29.11626       1.130791  30.34739       1.162578  -1.128189      1.487685  
1 1 1 -8  24 14 o 106.0479 1.182571  112.3500       2.502195  117.6274       3.696237  107.8857       3.399619  4.573959       2.365142  
1 1 1 -8  24 15 o 19.32028 0.8373775 3.754395       0.3200178 3.082598       0.4480791 4.453838       0.4572061 -3.548288      1.674755  
1 1 1 -8  24 16 o 113.7138 1.256194  129.2106       2.849580  135.3419       4.216218  124.0548       3.866309  4.937935       2.512388  
1 1 1 -8  24 17 o 75.20154 0.9054081 56.62719       1.361665  56.36366       1.912505  56.89812       1.939140  -0.3539200     1.810816  
1 1 1 -8  24 18 o 57.87495 0.7745257 33.51938       0.8963394 34.12346       1.283113  32.94363       1.252666  1.017792       1.549051  
1 1 1 -8  24 19 f 39.48767 0.6858805 15.59120       0.5414045 15.01804       0.7523384 16.20682       0.7797188 -1.503990      1.371761  
1 1 1 -8  24 20 o 51.86488 1.026274  26.71680       1.058704  29.23225       1.603308  24.77200       1.409763  4.285927       2.052549  
1 1 1 -8  24 21 o 67.93074 0.8465097 46.06558       1.147817  43.97750       1.564367  48.50063       1.689346  -3.321815      1.693019  
1 1 1 -8  24 22 o 22.07062 0.7637588 4.855449       0.3359573 5.123911       0.5009387 4.635994       0.4529136 1.102718       1.527518  
1 1 1 -8  24 23 o 27.90154 0.6984198 7.698011       0.3872232 8.692122       0.5894924 6.943511       0.5135595 3.129429       1.396840  
1 1 1 -8  24 24 o 41.05342 0.6966521 16.81135       0.5705810 17.72251       0.8439146 16.04411       0.7744056 2.040184       1.393304  
1 1 1 -8  24 25 o 47.18020 0.7149610 21.91646       0.6679533 24.97145       1.037791  19.75585       0.8727571 5.517197       1.429922  
1 1 1 -8  24 26 o 78.04366 0.9327422 61.04480       1.455882  60.84456       2.060266  61.24453       2.057593  -0.2564697     1.865484  
1 1 1 -8  24 27 o 63.57030 0.8215942 40.35913       1.042706  38.36767       1.423466  42.66492       1.531693  -3.371170      1.643188  
1 1 1 -8  24 28 o 64.14264 0.8312992 41.21022       1.066225  40.25138       1.491257  42.21299       1.525049  -1.526180      1.662598  
1 1 1 -8  24 29 o 83.49500 0.9902452 69.50589       1.646897  65.57986       2.211080  74.39813       2.468204  -5.253708      1.980490  
1 1 1 -8  24 30 f 56.33801 0.7820103 31.79968       0.8810809 31.29532       1.241983  32.31068       1.250130  -0.9004250     1.564021  
1 1 1 -8  24 31 o 26.79601 0.7442575 7.204742       0.3978966 7.009888       0.5786276 7.379538       0.5480389 -0.6924324     1.488515  
1 1 1 -8  24 32 o 56.98610 0.7863961 32.54154       0.8961736 31.86419       1.260761  33.23331       1.274106  -1.199959      1.572792  
1 1 1 -8  24 33 o 42.25780 1.034103  17.97382       0.8707619 17.31582       1.273383  18.55175       1.193392  -1.473278      2.068205  
1 1 1 -8  24 34 o 22.20937 1.180903  4.969439       0.5176300 4.892877       0.7961417 5.025503       0.6812840 -0.3169384     2.361807  
1 1 1 -8  24 35 o 23.13986 0.9966182 5.359201       0.4508421 5.298798       0.5778788 5.453148       0.7206886 -0.3136063     1.993236  
1 1 1 -8  24 36 o 18.31448 1.000496  3.296083       0.3623775 3.897535       0.5656142 2.877312       0.4719635 2.771585       2.000993  
1 1 1 -8  24 37 o 52.77621 0.7872079 27.75103       0.8282785 25.31225       1.122122  30.67036       1.227712  -5.063694      1.574416  
1 1 1 -8  24 38 o 45.99267 0.7672570 21.07237       0.7018794 22.49434       1.061419  19.96742       0.9356493 2.731010       1.534514  
1 1 1 -8  24 39 f 52.05449 0.7902169 27.02424       0.8187335 28.71931       1.232393  25.68507       1.095403  2.895439       1.580434  
1 1 1 -8  24 40 o 32.94665 0.7843560 10.77983       0.5123739 11.68677       0.7889115 10.11818       0.6738324 2.364508       1.568712  
1 1 1 -8  24 41 o 26.84539 0.8554993 7.274779       0.4553700 6.883793       0.6794912 7.593540       0.6135295 -1.332333      1.710999  
1 1 1 -8  24 42 o 21.96334 0.9555192 4.824828       0.4155388 5.012175       0.6393360 4.687798       0.5467803 0.7209320      1.911038  
1 1 1 -8  24 43 o 40.70432 0.7934432 16.65056       0.6440599 15.10912       0.9064618 18.22214       0.9152788 -3.822502      1.586886  
1 1 1 -8  24 44 f 50.07594 0.8163994 25.19605       0.8170729 24.20652       1.158498  26.17546       1.152556  -1.967037      1.632799  
1 1 1 -8  24 45 o 36.86071 0.8201545 13.64393       0.6023967 13.65874       0.8911825 13.63146       0.8174235 0.2344513E-01  1.640309  
1 1 1 -8  24 46 o 9.360994 1.759487  0.9422305      0.3801710 0.2193087      0.5800705 1.486554       0.5033425 -5.105007      3.518974  
1 1 1 -8  24 47 o 48.31081 0.8407591 23.48763       0.8112276 22.36529       1.157135  24.57243       1.137613  -2.288410      1.681518  
1 1 1 -8  24 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  25 1  o 74.35618 1.309543  55.26616       1.943877  58.27920       2.856972  52.66895       2.652515  3.757568       2.619085  
1 1 1 -8  25 2  o 25.79091 1.158177  6.663679       0.5969550 6.613983       0.8268571 6.717781       0.8627288 -0.1989136     2.316355  
1 1 1 -8  25 3  f 99.01953 1.388445  97.05314       2.534901  101.6768       4.630429  95.07445       3.029126  3.212036       2.776889  
1 1 1 -8  25 4  o 16.04531 0.8892711 2.590537       0.2829193 2.995484       0.4015256 2.191257       0.3987059 2.505975       1.778542  
1 1 1 -8  25 5  o 78.30013 0.9268534 61.16534       1.447867  64.53826       2.141407  58.32491       1.965119  3.958542       1.853707  
1 1 1 -8  25 6  o 85.27306 0.9880787 72.81730       1.684991  73.61336       2.401860  72.04585       2.364455  0.9170380      1.976157  
1 1 1 -8  25 7  o 63.06561 0.8011810 39.76502       1.009840  41.12253       1.461763  38.52565       1.396716  2.055939       1.602362  
1 1 1 -8  25 8  o 20.84346 0.7698292 4.316595       0.3177853 3.534937       0.4311331 5.246496       0.4702419 -4.104038      1.539658  
1 1 1 -8  25 9  o 67.53700 0.8385127 45.65926       1.132468  45.32104       1.586698  46.01045       1.616831  -0.5089264     1.677025  
1 1 1 -8  25 10 o 46.46770 0.7001794 21.51005       0.6491730 23.20343       0.9582573 20.07367       0.8825474 3.364536       1.400359  
1 1 1 -8  25 11 o 75.71159 0.9065639 57.37547       1.372227  56.43378       1.909139  58.38195       1.973717  -1.282997      1.813128  
1 1 1 -8  25 12 o 38.40321 0.6791098 14.61106       0.5189477 13.14839       0.6940796 16.46526       0.7814745 -4.314724      1.358220  
1 1 1 -8  25 13 o 22.29411 0.7880802 4.953934       0.3470534 6.113468       0.5102111 3.955422       0.4734619 4.838053       1.576160  
1 1 1 -8  25 14 o 45.84720 0.9606264 21.03693       0.8804070 20.35707       1.222491  21.76948       1.268977  -1.537270      1.921253  
1 1 1 -8  25 15 o 25.60572 1.006772  6.484802       0.5072175 8.342831       0.7621688 5.007769       0.6795477 6.506571       2.013545  
1 1 1 -8  25 16 o 74.56897 0.9021051 55.69357       1.345338  55.51611       1.893844  55.87434       1.911469  -0.2390900     1.804210  
1 1 1 -8  25 17 o 114.5667 1.267215  131.6730       2.903593  131.9800       4.115170  131.3686       4.097489  0.2652817      2.534429  
1 1 1 -8  25 18 o 80.18835 0.9528607 64.36013       1.527122  62.83369       2.112743  66.03015       2.209884  -1.986351      1.905721  
1 1 1 -8  25 19 o 69.33455 0.8621799 48.05336       1.194073  50.06764       1.743011  46.27203       1.639121  2.730232       1.724360  
1 1 1 -8  25 20 o 39.21700 0.6982353 15.33888       0.5466049 16.58845       0.8010235 14.24998       0.7477551 2.978413       1.396471  
1 1 1 -8  25 21 o 77.26875 0.9300137 59.81236       1.436969  59.04379       2.009419  60.61676       2.055735  -1.014229      1.860027  
1 1 1 -8  25 22 o 13.69580 1.113175  1.956230       0.2887041 1.251168       0.4115966 2.639078       0.4050605 -5.067523      2.226350  
1 1 1 -8  25 23 o 58.14841 0.7765824 33.84917       0.9027892 34.44235       1.298777  33.29462       1.255782  0.9837837      1.553165  
1 1 1 -8  25 24 o 87.72979 1.020468  76.86164       1.784739  81.15282       2.656080  73.32922       2.409853  4.433853       2.040936  
1 1 1 -8  25 25 o 94.28976 1.080575  89.13474       2.036297  91.14087       2.947123  87.30208       2.816813  2.020981       2.161150  
1 1 1 -8  25 26 o 46.04734 0.7247905 20.92216       0.6619739 23.78467       1.019215  18.83359       0.8705983 5.364670       1.449581  
1 1 1 -8  25 27 f 43.93926 1.034926  19.37309       0.9093515 19.73470       1.285536  19.01094       1.286499  0.8237000      2.069853  
1 1 1 -8  25 28 o 39.53805 0.7181260 15.56245       0.5655852 13.77960       0.7693986 17.65850       0.8342478 -4.899868      1.436252  
1 1 1 -8  25 29 o 32.78185 0.7277494 10.76713       0.4763549 9.965717       0.6677801 11.59744       0.6797135 -2.487696      1.455499  
1 1 1 -8  25 30 o 73.23801 1.271021  53.92848       1.860238  54.56254       2.691933  53.34894       2.573604  0.8091431      2.542043  
1 1 1 -8  25 31 o 33.20064 1.032490  11.15683       0.6795973 9.679818       0.9759672 12.54713       0.9468840 -4.322161      2.064979  
1 1 1 -8  25 32 o 32.95933 0.8633925 10.43999       0.5477089 9.351383       0.6740146 12.55628       0.9397691 -4.830452      1.726785  
1 1 1 -8  25 33 o 31.73772 0.7473073 9.829607       0.4680632 12.06167       0.7346284 8.304297       0.6072861 5.905807       1.494615  
1 1 1 -8  25 34 o 31.42790 0.7566750 9.856066       0.4734578 10.34759       0.7104822 9.463429       0.6349991 1.398294       1.513350  
1 1 1 -8  25 35 o 50.73736 0.7716244 25.26917       0.7731541 29.29122       1.217081  22.54796       1.001100  6.619698       1.543249  
1 1 1 -8  25 36 o 20.84338 0.8959795 4.331858       0.3707689 4.592950       0.5656861 4.135221       0.4909195 1.086760       1.791959  
1 1 1 -8  25 37 o 36.74120 0.7449664 13.33377       0.5419857 14.96765       0.8419003 12.17739       0.7082710 3.779644       1.489933  
1 1 1 -8  25 38 o 32.97482 0.7727152 10.90996       0.5063841 10.86919       0.7592548 10.94262       0.6796157 -0.1222115     1.545430  
1 1 1 -8  25 39 o 32.25764 0.7877696 10.43928       0.5055674 10.43903       0.7545308 10.43948       0.6810611 -0.1136017E-01 1.575539  
1 1 1 -8  25 40 o 44.50332 0.7800119 19.67806       0.6896671 21.53911       1.051639  18.27368       0.9135474 3.647488       1.560024  
1 1 1 -8  25 41 f 24.11992 0.9021475 5.833495       0.4328839 5.953082       0.6492928 5.737809       0.5807983 0.4337025      1.804295  
1 1 1 -8  25 42 o 51.05683 0.8103375 26.16618       0.8264120 26.37089       1.201481  25.98236       1.138507  0.3690720      1.620675  
1 1 1 -8  25 43 o 31.22271 0.8399748 9.762866       0.5226140 10.11449       0.7783197 9.474166       0.7052470 1.011820       1.679950  
1 1 1 -8  25 44 o 39.97673 0.8082432 16.09253       0.6442003 14.74648       0.9161217 17.40911       0.9060357 -3.332134      1.616486  
1 1 1 -8  25 45 o 72.51434 0.9524011 52.91700       1.380524  53.12764       1.986676  52.72029       1.919754  0.2647934      1.904802  
1 1 1 -8  25 46 o 25.49858 2.103086  6.238899       0.7572061 7.385779       2.047694  6.057232       0.8149736 2.007797       4.206171  
1 1 1 -8  26 1  o 103.3836 1.158393  107.1650       2.395158  107.5624       3.395349  106.7713       3.379239  0.3812637      2.316787  
1 1 1 -8  26 2  o 43.56580 0.6850491 18.68095       0.5914205 16.69078       0.7751448 21.45353       0.9149150 -5.459419      1.370098  
1 1 1 -8  26 3  o 22.09718 0.7249802 4.891798       0.3196269 4.946456       0.4384322 4.829798       0.4669563 0.2654171      1.449960  
1 1 1 -8  26 4  o 27.03458 0.6906064 7.212584       0.3707384 6.287679       0.4925644 8.421317       0.5630917 -3.942707      1.381213  
1 1 1 -8  26 5  o 95.24278 1.341421  91.67709       2.413697  93.03413       2.973862  89.05743       4.131898  2.194969       2.682841  
1 1 1 -8  26 6  o 79.06362 1.365482  62.67107       2.157745  64.65697       3.122463  60.85595       2.985188  2.390610       2.730964  
1 1 1 -8  26 7  f 77.81288 1.349689  60.71766       2.099523  62.45465       3.024868  59.10297       2.916445  2.143417       2.699378  
1 1 1 -8  26 8  f 39.11024 1.045722  15.33502       0.8176156 15.79579       1.153427  14.86965       1.159161  1.184433       2.091443  
1 1 1 -8  26 9  o 40.86960 0.8799942 17.27759       0.6759095 15.02419       1.132593  18.52406       0.8423550 -4.299118      1.759988  
1 1 1 -8  26 10 o 43.31265 0.6970737 18.76694       0.6036603 19.35378       0.8654824 18.21099       0.8423948 1.318104       1.394147  
1 1 1 -8  26 11 o 35.83227 0.6806633 12.73642       0.4855141 14.48110       0.7252094 11.31927       0.6536015 4.408497       1.361327  
1 1 1 -8  26 12 f 73.81134 0.8957434 54.31319       1.317979  51.54546       1.778343  57.68600       1.963134  -4.147392      1.791487  
1 1 1 -8  26 13 o 24.95105 0.7463824 6.214064       0.3702168 7.222633       0.5394768 5.316286       0.5089841 3.818436       1.492765  
1 1 1 -8  26 14 o 44.63502 0.7029293 19.76712       0.6245530 18.07957       0.8356937 21.90211       0.9399774 -4.276165      1.405859  
1 1 1 -8  26 15 o 69.02129 0.8598672 47.67354       1.186198  46.46989       1.641512  48.98897       1.716045  -1.819595      1.719734  
1 1 1 -8  26 16 o 63.45986 0.8179102 39.89366       1.030929  36.74972       1.363589  44.08847       1.575082  -5.767670      1.635820  
1 1 1 -8  26 17 o 43.81974 0.7072949 19.21640       0.6197274 19.73127       0.8870779 18.72553       0.8661506 1.146317       1.414590  
1 1 1 -8  26 18 o 116.0921 1.285463  135.2291       2.982752  138.2423       4.311710  132.4637       4.130611  2.467979       2.570926  
1 1 1 -8  26 19 o 93.54479 1.075266  87.77132       2.011648  87.29967       2.831352  88.25209       2.858644  -0.5063171     2.150531  
1 1 1 -8  26 20 o 17.89815 0.9398853 3.209946       0.3363218 3.160849       0.4680991 3.262335       0.4835382 -0.2820663     1.879771  
1 1 1 -8  26 21 f 50.02156 0.7385416 25.03721       0.7384749 25.83666       1.065479  24.29814       1.024451  1.534721       1.477083  
1 1 1 -8  26 22 o 55.96230 0.7713215 31.35720       0.8628668 31.84993       1.243702  30.89993       1.198129  0.8450966      1.542643  
1 1 1 -8  26 23 o 57.81084 0.7825608 33.45465       0.9041991 34.22137       1.307997  32.75291       1.251344  1.265289       1.565122  
1 1 1 -8  26 24 f 58.16017 0.7939489 33.78898       0.9219447 32.11200       1.259686  35.72351       1.352959  -3.096493      1.587898  
1 1 1 -8  26 25 f 31.68472 1.036354  10.02286       0.6549155 9.125652       0.8921992 11.07112       0.9643883 -3.061287      2.072708  
1 1 1 -8  26 26 o 49.42514 0.8109757 24.60776       0.7923644 23.61260       1.202679  25.37102       1.053271  -1.793644      1.621951  
1 1 1 -8  26 27 o 18.23080 1.296247  3.248816       0.4650146 3.902063       0.7434361 2.828980       0.5959975 2.918465       2.592494  
1 1 1 -8  26 28 o 28.68075 1.060903  8.358192       0.6012434 7.158994       0.8729250 9.440583       0.8293229 -3.983681      2.121806  
1 1 1 -8  26 29 o 42.34949 0.7250733 17.97570       0.6139220 17.45840       0.8689915 18.49116       0.8674442 -1.219486      1.450147  
1 1 1 -8  26 30 o 27.68168 0.7726445 7.701168       0.4247988 6.593117       0.5952370 8.851286       0.6064319 -4.077612      1.545289  
1 1 1 -8  26 31 o 61.68221 0.8269055 38.09286       1.019274  36.52523       1.408040  39.81875       1.477404  -2.661385      1.653811  
1 1 1 -8  26 32 o 68.70496 0.8808721 47.17374       1.207735  44.64778       1.642637  50.14594       1.781832  -3.983162      1.761744  
1 1 1 -8  26 33 o 19.71735 0.9284493 3.948633       0.3613902 3.532409       0.5378087 4.291306       0.4879825 -1.931707      1.856899  
1 1 1 -8  26 34 o 35.93353 0.7432631 12.92631       0.5324789 13.19678       0.7883667 12.69942       0.7220709 0.6835938      1.486526  
1 1 1 -8  26 35 o 32.45629 0.7636818 10.59298       0.4940630 10.14375       0.7193350 10.99415       0.6797643 -1.315374      1.527364  
1 1 1 -8  26 36 f 42.06873 0.7579162 17.76281       0.6369115 17.42475       0.9185637 18.07584       0.8838939 -0.7785110     1.515832  
1 1 1 -8  26 37 o 20.91721 0.9501988 4.489769       0.3881274 3.844940       0.5894440 4.983357       0.5157068 -2.734051      1.900398  
1 1 1 -8  26 38 o 12.42110 1.487223  1.523264       0.3546937 1.889423       0.5806876 1.305347       0.4479746 2.476985       2.974446  
1 1 1 -8  26 39 o 54.32954 0.8121215 29.50963       0.8795786 31.05250       1.308861  28.23905       1.187762  2.569241       1.624243  
1 1 1 -8  26 40 f 22.31385 0.9684911 4.993100       0.4298407 5.151421       0.6467524 4.867838       0.5752787 0.6199837      1.936982  
1 1 1 -8  26 41 o 7.869141 1.871638  0.5955189      0.3552803 0.3843898      0.5477952 0.7488046      0.4667616 -1.292223      3.743275  
1 1 1 -8  26 42 f 28.07326 0.8745073 7.906612       0.4889914 8.070457       0.7284122 7.772198       0.6597511 0.5173054      1.749015  
1 1 1 -8  26 43 o 22.19706 1.010237  4.933104       0.4457772 5.221642       0.6754559 4.710454       0.5933440 1.130714       2.020475  
1 1 1 -8  26 44 o 12.56463 1.630131  1.567372       0.3946041 2.079459       0.6329294 1.241759       0.5047006 3.470341       3.260262  
1 1 1 -8  26 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  27 1  o 36.82625 0.6741920 13.57590       0.4963755 14.07771       0.7055217 13.08404       0.6984932 1.348732       1.348384  
1 1 1 -8  27 2  o 78.91580 0.9364735 62.40268       1.477951  62.13019       2.076272  62.68256       2.104287  -0.3477707     1.872947  
1 1 1 -8  27 3  o 38.36584 0.6798010 14.60679       0.5193012 13.29606       0.6963810 16.24875       0.7794202 -3.843357      1.359602  
1 1 1 -8  27 4  o 51.81319 0.7348433 26.85847       0.7611812 27.80860       1.094256  25.96770       1.059529  1.774342       1.469687  
1 1 1 -8  27 5  o 131.4008 1.431225  173.4620       3.760605  171.7166       5.259027  175.2883       5.379620  -1.344666      2.862450  
1 1 1 -8  27 6  o 94.28386 1.076200  88.88642       2.025207  92.94353       2.982193  85.41396       2.758964  3.972878       2.152400  
1 1 1 -8  27 7  o 67.08768 0.8396654 45.07920       1.126572  45.59888       1.601898  44.57063       1.584670  0.7651291      1.679331  
1 1 1 -8  27 8  f 58.62470 0.7794276 34.01678       0.9076343 37.91962       1.386170  31.08771       1.200859  5.814518       1.558855  
1 1 1 -8  27 9  o 72.09491 0.8828772 52.06005       1.272754  51.36154       1.778036  52.79409       1.822687  -0.9901199     1.765754  
1 1 1 -8  27 10 o 72.92069 0.8909448 53.20689       1.298293  55.01171       1.883511  51.57314       1.792030  2.350632       1.781890  
1 1 1 -8  27 11 o 67.66319 0.8510521 45.73427       1.149191  43.97792       1.564025  47.79509       1.694168  -2.810844      1.702104  
1 1 1 -8  27 12 o 58.33518 0.9810007 34.83168       1.087882  36.62107       1.363295  31.69471       1.805062  4.261173       1.962001  
1 1 1 -8  27 13 o 22.06168 1.219354  4.922624       0.5325809 5.694016       0.7505069 4.140131       0.7558881 3.522295       2.438709  
1 1 1 -8  27 14 f 42.07431 1.043235  17.72766       0.8769485 18.89924       1.266206  16.64764       1.215719  2.670597       2.086469  
1 1 1 -8  27 15 o 93.86647 1.547208  88.63990       2.903195  90.97159       4.186790  86.48044       4.029219  2.367683       3.094417  
1 1 1 -8  27 16 o 44.84718 1.052856  20.16710       0.9440187 19.78617       1.313875  20.57361       1.357270  -0.8731880     2.105713  
1 1 1 -8  27 17 o 65.26083 1.043136  41.79074       1.251598  45.09879       2.313473  40.42188       1.488191  3.494259       2.086272  
1 1 1 -8  27 18 o 59.40300 0.8713806 35.20164       1.017343  36.24633       1.604708  34.49957       1.315495  1.443645       1.742761  
1 1 1 -8  27 19 o 37.50227 0.7157844 14.06787       0.5364870 14.79467       0.7738698 13.39535       0.7444024 1.863361       1.431569  
1 1 1 -8  27 20 f 45.33595 0.7319894 20.49902       0.6622576 22.25248       0.9736313 18.98923       0.9034489 3.593178       1.463979  
1 1 1 -8  27 21 o 25.72121 0.7932293 6.620633       0.4072032 6.042180       0.5653893 7.244068       0.5869610 -2.334383      1.586459  
1 1 1 -8  27 22 o 34.32759 0.7093015 11.81559       0.4861705 11.57926       0.7039761 12.03108       0.6722205 -0.6608238     1.418603  
1 1 1 -8  27 23 o 57.81458 0.9780774 33.62308       1.065219  33.28692       1.843214  33.79165       1.305259  -0.5016365     1.956155  
1 1 1 -8  27 24 o 72.96461 1.267719  53.29081       1.844972  49.97062       2.499715  57.26375       2.734421  -4.958786      2.535438  
1 1 1 -8  27 25 o 65.05733 1.027433  41.36054       1.243256  39.53600       1.488804  45.56435       2.259873  -4.527325      2.054867  
1 1 1 -8  27 26 o 98.01608 1.123663  96.47907       2.201599  98.32132       3.175455  94.77385       3.055094  1.791191       2.247326  
1 1 1 -8  27 27 o 36.79688 0.7262133 13.56067       0.5336791 12.58096       0.7450391 14.59311       0.7648221 -2.732124      1.452427  
1 1 1 -8  27 28 o 72.16270 0.9020370 52.22849       1.301599  51.20846       1.818475  53.30006       1.863841  -1.443275      1.804074  
1 1 1 -8  27 29 o 68.29990 0.8778875 46.43935       1.193817  43.11578       1.598416  50.63211       1.795308  -5.477013      1.755775  
1 1 1 -8  27 30 o 27.31426 0.7873550 7.511809       0.4278678 7.116107       0.6279250 7.854779       0.5845894 -1.357437      1.574710  
1 1 1 -8  27 31 o 55.37804 0.7960244 30.65323       0.8801206 28.66815       1.204856  32.92430       1.288730  -3.831623      1.592049  
1 1 1 -8  27 32 o 26.56546 0.8119967 7.132776       0.4282065 6.374247       0.6203455 7.823134       0.5918125 -2.731052      1.623993  
1 1 1 -8  27 33 o 36.89877 0.7396648 13.45012       0.5409459 15.17838       0.8364036 12.20738       0.7092510 4.009274       1.479330  
1 1 1 -8  27 34 f 27.70704 0.8229561 7.745881       0.4527333 7.279750       0.6695648 8.138492       0.6144970 -1.557795      1.645912  
1 1 1 -8  27 35 o 43.14441 0.7664343 18.69432       0.6605896 17.99446       0.9445325 19.36441       0.9242279 -1.590595      1.532869  
1 1 1 -8  27 36 o 39.84084 0.7764165 15.90534       0.6168083 16.19475       0.9117540 15.66111       0.8375588 0.6582565      1.552833  
1 1 1 -8  27 37 o 36.31395 0.7760891 13.16022       0.5611355 13.98086       0.8428503 12.50692       0.7520245 2.014832       1.552178  
1 1 1 -8  27 38 o 34.41709 0.7972282 11.93731       0.5458722 11.38813       0.8032750 12.40853       0.7440789 -1.492916      1.594456  
1 1 1 -8  27 39 o 52.73330 0.8127572 27.82685       0.8543017 29.04343       1.271207  26.82486       1.153659  2.082420       1.625514  
1 1 1 -8  27 40 o 17.25219 1.166632  2.940364       0.3953843 3.330189       0.6345850 2.693009       0.5054938 1.811653       2.333263  
1 1 1 -8  27 41 o 31.33321 0.8539400 9.870295       0.5306631 9.852626       0.8036070 9.883957       0.7066494 -0.7063484E-01 1.707880  
1 1 1 -8  27 42 o 20.08227 1.102868  4.060245       0.4356254 4.104086       0.6823534 4.030082       0.5659740 0.1529102      2.205736  
1 1 1 -8  27 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  28 1  o 29.75584 0.6923203 8.854275       0.4114206 8.651314       0.5643731 9.084456       0.6010285 -0.7251968     1.384641  
1 1 1 -8  28 2  o 7.568767 1.543065  0.5586016      0.2601131 0.2917131      0.3566153 0.8620067      0.3802302 -3.010315      3.086130  
1 1 1 -8  28 3  o 15.78970 0.9108201 2.478975       0.2862488 2.177883       0.3870280 2.842574       0.4253083 -2.101223      1.821640  
1 1 1 -8  28 4  o 68.22182 0.8534823 46.22185       1.157240  43.10510       1.535685  50.31747       1.760403  -5.266121      1.706965  
1 1 1 -8  28 5  o 62.20410 0.8075520 38.75674       1.004380  38.34190       1.401059  39.19533       1.440582  -0.6826935     1.615104  
1 1 1 -8  28 6  o 71.23686 0.8766858 50.70884       1.246318  48.68144       1.695925  53.08945       1.837723  -3.081001      1.753372  
1 1 1 -8  28 7  o 40.14999 0.6903304 16.14355       0.5542151 16.58028       0.7857861 15.71126       0.7817863 1.081936       1.380661  
1 1 1 -8  28 8  o 6.552721 1.585530  0.3604647      0.2692267 0.6099921      0.3679331 0.7288320E-01  0.3949936 2.315815       3.171061  
1 1 1 -8  28 9  o 35.50185 0.6982617 12.47983       0.4928028 14.48509       0.7406844 10.88711       0.6601110 5.061428       1.396523  
1 1 1 -8  28 10 o 26.92550 0.7275440 7.261362       0.3915293 7.264269       0.5439441 7.258236       0.5640133 0.1273727E-01  1.455088  
1 1 1 -8  28 11 o 26.53771 0.7289785 7.052902       0.3868747 6.994537       0.5428021 7.113161       0.5515496 -0.2228222     1.457957  
1 1 1 -8  28 12 o 36.82184 0.6994959 13.52257       0.5140697 12.59611       0.7013686 14.59804       0.7556739 -2.714310      1.398992  
1 1 1 -8  28 13 o 70.77607 0.8800591 50.21030       1.245713  50.54441       1.769187  49.88177       1.754314  0.4666901      1.760118  
1 1 1 -8  28 14 o 73.54980 0.9025534 54.22467       1.327516  54.99310       1.893943  53.48254       1.861265  1.023605       1.805107  
1 1 1 -8  28 15 o 29.32907 0.7326736 8.603835       0.4292873 9.200519       0.6194343 8.052404       0.5954818 1.955288       1.465347  
1 1 1 -8  28 16 o 42.24876 0.7221175 17.69349       0.6068833 19.85538       0.9170708 16.00909       0.8094872 4.542835       1.444235  
1 1 1 -8  28 17 o 27.22697 0.7615173 7.403565       0.4139984 7.907377       0.6061667 6.963099       0.5667801 1.730473       1.523035  
1 1 1 -8  28 18 f 55.65602 0.7821045 30.74916       0.8660383 34.02261       1.308725  28.19898       1.155131  5.216888       1.564209  
1 1 1 -8  28 19 o 22.95391 1.035389  5.456183       0.4519945 4.696935       0.7360256 5.915868       0.5727054 -2.676243      2.070778  
1 1 1 -8  28 20 o 43.82648 1.028119  19.24453       0.9002637 18.34406       1.240647  20.24602       1.308382  -2.160694      2.056238  
1 1 1 -8  28 21 f 80.93513 1.950200  65.97975       3.156794  65.97975       3.156794  ?              ?         ?              ?         
1 1 1 -8  28 22 f 62.15568 1.038821  38.68499       1.200415  38.49951       1.449725  39.08952       2.140983  -0.3785324     2.077643  
1 1 1 -8  28 23 o 68.75797 1.262033  47.42153       1.732451  50.15720       2.543711  45.05468       2.366037  3.679420       2.524067  
1 1 1 -8  28 24 o 31.78607 1.075768  10.13216       0.6828690 9.825803       0.9354917 10.48159       0.9990875 -1.021744      2.151537  
1 1 1 -8  28 25 o 100.0095 1.638767  101.0356       3.275887  103.7776       4.733859  98.51592       4.537954  2.583633       3.277534  
1 1 1 -8  28 26 o 38.18410 1.059324  14.65092       0.8088303 14.77678       1.135804  14.52142       1.152087  0.3369484      2.118648  
1 1 1 -8  28 27 o 32.84956 1.060154  10.84410       0.6964872 10.71830       0.9814768 10.97172       0.9885243 -0.3845634     2.120308  
1 1 1 -8  28 28 o 62.27501 1.195597  38.91813       1.485408  37.34903       2.016562  40.77940       2.196297  -2.718109      2.391195  
1 1 1 -8  28 29 o 32.98345 1.085573  10.90592       0.7147241 10.04252       0.9813459 11.88124       1.043016  -2.775612      2.171145  
1 1 1 -8  28 30 o 69.88838 1.280047  49.20881       1.788170  48.29609       2.478754  50.19926       2.582120  -1.338249      2.560094  
1 1 1 -8  28 31 o 37.24097 1.075506  13.93891       0.8004611 13.20078       1.116609  14.71925       1.148093  -2.032681      2.151013  
1 1 1 -8  28 32 o 49.96763 1.108987  25.11032       1.107845  24.40857       1.541438  25.86009       1.593309  -1.441761      2.217974  
1 1 1 -8  28 33 o 24.22898 1.061877  5.866672       0.4801932 6.020232       0.8532097 5.795482       0.5809343 0.4078293      2.123754  
1 1 1 -8  28 34 f 69.85902 1.106576  48.88736       1.446132  49.86232       2.554355  48.42747       1.754361  0.8521271      2.213152  
1 1 1 -8  28 35 o 41.59088 0.9483318 17.21240       0.7329844 17.88284       1.316886  16.91146       0.8822870 1.079765       1.896664  
1 1 1 -8  28 36 o 48.03586 0.9666390 23.86185       0.8877134 20.75758       1.433318  25.79357       1.130670  -5.305294      1.933278  
1 1 1 -8  28 37 o 44.73260 0.9659175 20.33520       0.8119604 19.51177       1.399733  20.75281       0.9968112 -1.472565      1.931835  
1 1 1 -8  28 38 o 38.30261 0.9789239 13.84992       0.6810982 16.97266       1.318870  12.71421       0.7953668 5.438862       1.957848  
1 1 1 -8  28 39 o 14.30378 1.744604  2.233825       0.4303004 1.888755       0.7979905 2.375295       0.5109494 -2.065235      3.489208  
1 1 1 -8  28 40 o 11.81871 2.002360  1.545825       0.4377095 1.192996       0.8521025 1.672297       0.5101624 -2.051656      4.004719  
1 1 1 -8  28 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  29 1  o 60.02757 0.7921770 35.86533       0.9466317 33.72056       1.266606  38.57925       1.424790  -4.032185      1.584354  
1 1 1 -8  29 2  o 69.37131 0.8630076 48.22711       1.197143  49.14202       1.712843  47.35337       1.673863  1.285217       1.726015  
1 1 1 -8  29 3  o 31.70847 0.6996607 9.885090       0.4395943 8.563423       0.5778943 11.70008       0.6772119 -4.937889      1.399321  
1 1 1 -8  29 4  o 66.13022 0.8389483 43.82733       1.109381  43.47922       1.551223  44.19178       1.587199  -0.5351944     1.677897  
1 1 1 -8  29 5  o 11.59237 1.198388  1.352586       0.2771675 1.389574       0.3821687 1.311542       0.4025750 0.3394537      2.396775  
1 1 1 -8  29 6  o 76.06696 0.9208083 58.02312       1.400734  57.78369       1.966020  58.26997       1.996199  -0.3163452     1.841617  
1 1 1 -8  29 7  o 23.35920 0.7663898 5.471187       0.3577885 5.654572       0.5029292 5.283268       0.5091060 0.7953358      1.532780  
1 1 1 -8  29 8  o 98.70332 1.122839  97.79483       2.215814  99.58855       3.184311  96.11092       3.085301  1.748268       2.245679  
1 1 1 -8  29 9  o 85.36021 1.002361  73.11591       1.711229  73.23943       2.418514  72.99209       2.421577  0.1452484      2.004721  
1 1 1 -8  29 10 o 76.23925 0.9250876 58.09653       1.407414  61.24948       2.076871  55.41905       1.913874  3.805176       1.850175  
1 1 1 -8  29 11 o 69.91039 0.8741605 48.98912       1.222028  49.96724       1.748767  48.05568       1.708360  1.362732       1.748321  
1 1 1 -8  29 12 o 87.21465 1.021676  76.17130       1.779060  73.46483       2.431335  79.29042       2.610108  -3.316559      2.043353  
1 1 1 -8  29 13 o 53.96376 0.7686587 29.08791       0.8280734 27.61069       1.130076  30.80078       1.216882  -2.947124      1.537317  
1 1 1 -8  29 14 o 63.71292 0.8341030 40.56763       1.060733  38.70695       1.445203  42.74057       1.561775  -3.152641      1.668206  
1 1 1 -8  29 15 o 80.74434 1.165328  66.46008       1.822234  61.57377       2.911320  69.60739       2.336518  -5.063194      2.330657  
1 1 1 -8  29 16 o 50.95430 1.032942  26.05589       1.052349  26.63491       1.510731  25.51011       1.466735  1.097584       2.065883  
1 1 1 -8  29 17 o 60.06189 1.120619  36.06171       1.342299  33.78150       1.816659  38.80342       1.992034  -4.153839      2.241239  
1 1 1 -8  29 18 o 43.57896 0.8770859 19.27931       0.7361910 19.96017       0.9331142 18.15677       1.198144  2.100693       1.754172  
1 1 1 -8  29 19 o 37.72234 0.7424732 14.24782       0.5592539 13.15216       0.7787241 15.41481       0.8036750 -2.996479      1.484946  
1 1 1 -8  29 20 o 26.32905 0.7921171 6.954280       0.4166954 7.320061       0.5897258 6.589563       0.5888676 1.387150       1.584234  
1 1 1 -8  29 21 o 60.78289 0.8222902 37.04578       0.9995688 36.75504       1.404648  37.34404       1.422732  -0.4823418     1.644580  
1 1 1 -8  29 22 o 24.26793 0.8000700 5.901529       0.3874573 5.957566       0.5684078 5.852894       0.5295484 0.2110558      1.600140  
1 1 1 -8  29 23 o 40.78252 0.7234588 16.65958       0.5896291 16.92526       0.8535422 16.41706       0.8154821 0.6188164      1.446918  
1 1 1 -8  29 24 o 62.23764 0.8336603 38.77827       1.036551  37.07173       1.425892  40.69078       1.509485  -2.896011      1.667321  
1 1 1 -8  29 25 o 78.47144 0.9580991 61.85275       1.503648  61.39859       2.122248  62.31055       2.130736  -0.5796738     1.916198  
1 1 1 -8  29 26 o 49.52838 0.7689040 24.51491       0.7602129 22.69438       1.041823  26.58819       1.111792  -3.921413      1.537808  
1 1 1 -8  29 27 o 53.57116 0.7813456 28.78977       0.8370416 28.35315       1.186489  29.22238       1.181041  -0.8120346     1.562691  
1 1 1 -8  29 28 o 49.53730 0.7647764 24.58265       0.7570304 23.18520       1.052365  26.08137       1.089823  -2.918106      1.529553  
1 1 1 -8  29 29 o 40.05727 0.7419330 16.01553       0.5922783 16.97202       0.8839242 15.23618       0.7978844 2.154812       1.483866  
1 1 1 -8  29 30 o 37.45609 0.7499294 14.03167       0.5597853 14.54428       0.8333129 13.61012       0.7556804 1.235607       1.499859  
1 1 1 -8  29 31 o 52.98927 0.7976183 28.09974       0.8431148 29.23910       1.246800  27.13976       1.144452  1.964592       1.595237  
1 1 1 -8  29 32 o 15.67723 1.180875  2.482612       0.3667718 2.444744       0.5558638 2.511810       0.4881044 -0.2307081     2.361749  
1 1 1 -8  29 33 o 81.50186 0.9997995 66.78254       1.628888  64.82681       2.260401  68.89524       2.349364  -2.476021      1.999599  
1 1 1 -8  29 34 o 25.58321 0.8871126 6.661221       0.4478482 5.863498       0.6629056 7.331015       0.6074301 -2.878870      1.774225  
1 1 1 -8  29 35 o 28.93949 0.8313124 8.359070       0.4775593 8.832469       0.7287705 8.002801       0.6322160 1.415068       1.662625  
1 1 1 -8  29 36 o 22.45040 0.9572570 5.082699       0.4235068 5.006790       0.6549088 5.137256       0.5552195 -0.3135796     1.914514  
1 1 1 -8  29 37 o 11.03052 1.640923  1.430480       0.3641019 0.5270810      0.5710706 2.049251       0.4726227 -6.430210      3.281846  
1 1 1 -8  29 38 o 13.88511 2.648204  2.177630       0.6525518 1.407305       1.619820  2.326867       0.7129656 -2.448586      5.296408  
1 1 1 -8  29 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  30 1  o 26.40201 0.7357336 6.961967       0.3878476 6.507627       0.5314668 7.479605       0.5672820 -1.837147      1.471467  
1 1 1 -8  30 2  o 80.22665 0.9603559 64.17490       1.534381  69.03197       2.303103  60.29853       2.057494  5.410934       1.920712  
1 1 1 -8  30 3  o 52.56635 0.7562602 27.69348       0.7950589 27.85818       1.123150  27.52804       1.125621  0.3142776      1.512520  
1 1 1 -8  30 4  o 112.6800 1.258991  127.7284       2.836992  126.9142       3.979929  128.5696       4.045091  -0.7234344     2.517981  
1 1 1 -8  30 5  f 84.20190 0.9973734 70.98010       1.676161  68.37395       2.283724  74.02348       2.467870  -3.329803      1.994747  
1 1 1 -8  30 6  o 44.28349 0.7154346 19.51552       0.6311648 18.17521       0.8480222 21.18005       0.9450426 -3.383297      1.430869  
1 1 1 -8  30 7  o 42.04211 0.7147923 17.62308       0.5994971 19.34319       0.8825024 16.14911       0.8169242 3.792286       1.429585  
1 1 1 -8  30 8  o 49.08125 0.7356854 24.13907       0.7221267 24.50064       1.024476  23.78202       1.018037  0.7314301      1.471371  
1 1 1 -8  30 9  o 57.01317 0.7824998 32.57809       0.8922004 32.96877       1.270233  32.19767       1.253458  0.6744499      1.565000  
1 1 1 -8  30 10 o 25.74216 0.7560531 6.613982       0.3878846 5.880443       0.5317079 7.448439       0.5671047 -3.041899      1.512106  
1 1 1 -8  30 11 o 35.91878 0.8277812 12.47535       0.5678597 14.46924       0.9874980 11.49025       0.6941040 4.113029       1.655562  
1 1 1 -8  30 12 o 33.39387 0.9308268 11.16209       0.6208807 11.79125       0.9059088 10.60475       0.8526272 1.769516       1.861654  
1 1 1 -8  30 13 o 52.05503 1.028445  27.16782       1.069806  25.99270       1.477502  28.46282       1.551044  -2.361732      2.056890  
1 1 1 -8  30 14 o 48.55679 0.7521816 23.58791       0.7296817 22.68726       1.003804  24.59707       1.062552  -1.960140      1.504363  
1 1 1 -8  30 15 o 30.24580 0.7516109 9.174498       0.4542616 9.623690       0.6427252 8.726150       0.6421212 1.483677       1.503222  
1 1 1 -8  30 16 o 39.00817 0.7300593 15.17474       0.5680265 13.81048       0.7747097 16.76087       0.8353331 -3.775269      1.460119  
1 1 1 -8  30 17 o 44.23126 1.094045  19.65715       0.9667038 19.54799       1.333770  19.77796       1.403116  -0.2486496     2.188090  
1 1 1 -8  30 18 o 44.36928 0.7432017 19.72977       0.6594394 20.07620       0.9401416 19.39425       0.9252139 0.7667923      1.486403  
1 1 1 -8  30 19 o 41.21956 0.7360798 17.01678       0.6065268 17.57204       0.8742012 16.50141       0.8422098 1.294891       1.472160  
1 1 1 -8  30 20 o 40.65735 0.7322676 16.56249       0.5952285 17.17788       0.8528269 15.97797       0.8311518 1.472954       1.464535  
1 1 1 -8  30 21 o 10.41230 1.560998  1.163201       0.3284802 0.5704418      0.4694239 1.731924       0.4598078 -5.396752      3.121996  
1 1 1 -8  30 22 o 59.23080 0.8893185 35.34974       1.044782  36.31529       1.401778  34.14303       1.567096  1.859520       1.778637  
1 1 1 -8  30 23 f 58.55897 0.8095013 34.39154       0.9476948 34.81116       1.362769  33.99857       1.318798  0.6875458      1.619003  
1 1 1 -8  30 24 o 30.12753 0.7655511 9.105749       0.4599271 9.072958       0.6762177 9.133974       0.6273934 -0.1079044     1.531102  
1 1 1 -8  30 25 o 50.11549 0.7694194 25.18010       0.7708498 24.13762       1.078248  26.26990       1.102448  -2.123966      1.538839  
1 1 1 -8  30 26 o 13.33213 1.354846  1.751826       0.3358338 2.687524       0.5291139 1.120567       0.4345953 6.007607       2.709691  
1 1 1 -8  30 27 o 64.22905 0.8577141 41.30074       1.100108  39.11414       1.506375  43.79978       1.610406  -3.629925      1.715428  
1 1 1 -8  30 28 o 54.38480 0.7987038 29.66144       0.8680876 30.23714       1.256858  29.13630       1.200409  1.003040       1.597408  
1 1 1 -8  30 29 o 54.70016 0.8036706 29.97004       0.8782133 28.29642       1.210352  31.83080       1.276227  -3.219402      1.607341  
1 1 1 -8  30 30 o 74.06744 0.9350971 55.05089       1.382912  57.03241       2.027023  53.32553       1.891472  2.474030       1.870194  
1 1 1 -8  30 31 o 30.18905 0.8015107 9.095427       0.4817379 9.707571       0.7242093 8.609595       0.6451793 1.804533       1.603021  
1 1 1 -8  30 32 o 50.19278 0.7920014 25.02925       0.7897118 27.57232       1.205195  23.11580       1.045413  4.410614       1.584003  
1 1 1 -8  30 33 o 23.63398 0.8940989 5.558861       0.4190924 6.042592       0.6445630 5.204592       0.5516070 1.753092       1.788198  
1 1 1 -8  30 34 o 10.78839 1.662371  1.124127       0.3640456 1.931161       0.5779750 0.5933979      0.4687048 6.001384       3.324743  
1 1 1 -8  30 35 o 84.01086 1.461925  71.64013       2.455754  70.23957       3.485403  73.02085       3.460650  -1.664169      2.923850  
1 1 1 -8  30 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  31 1  o 48.35368 0.9763665 22.60839       0.8404805 25.38345       1.654308  21.64287       0.9758003 3.771072       1.952733  
1 1 1 -8  31 2  o 80.95927 0.9741575 65.78449       1.576886  65.02032       2.198972  66.59345       2.262490  -0.9624023     1.948315  
1 1 1 -8  31 3  o 69.62202 0.8824772 48.62102       1.228681  49.36514       1.751884  47.90065       1.723692  1.048065       1.764954  
1 1 1 -8  31 4  f 80.19598 0.9639606 64.51509       1.545172  63.24398       2.140698  65.89770       2.232605  -1.641411      1.927921  
1 1 1 -8  31 5  o 93.54546 1.083797  87.79873       2.025329  85.20026       2.784037  90.71983       2.951815  -2.923271      2.167595  
1 1 1 -8  31 6  o 78.93971 1.148080  62.52910       1.724460  63.08631       2.936554  62.23580       2.130506  0.4027481      2.296161  
1 1 1 -8  31 7  o 40.75684 0.9270130 16.62589       0.7545612 15.78938       1.034276  17.57775       1.103286  -2.184376      1.854026  
1 1 1 -8  31 8  o 38.73257 0.9306535 14.97180       0.7188193 13.88692       0.9729500 16.27562       1.066623  -3.070415      1.861307  
1 1 1 -8  31 9  f 20.01820 0.9903754 4.066867       0.3851693 4.217088       0.4947528 3.835743       0.6136847 0.9702816      1.980751  
1 1 1 -8  31 10 o 5.041593 1.533196  -0.3341945E-01 0.2797221 0.1887421E-01  0.3933262 -0.8693284E-01 0.3978868 0.2967486      3.066392  
1 1 1 -8  31 11 o 28.03155 0.7579772 7.826039       0.4225469 6.741840       0.5746564 9.102239       0.6234666 -4.204399      1.515954  
1 1 1 -8  31 12 o 41.29965 0.7307279 17.10064       0.6034901 17.39584       0.8522334 16.80372       0.8546997 0.7171478      1.461456  
1 1 1 -8  31 13 o 59.87726 0.8218070 35.83374       0.9819152 34.05751       1.334710  37.92915       1.449679  -3.217205      1.643614  
1 1 1 -8  31 14 f 61.11930 0.8267739 37.38829       1.009227  39.21117       1.475707  35.78657       1.383297  2.788498       1.653548  
1 1 1 -8  31 15 o 52.61666 0.9999365 26.71382       0.9488843 25.36751       1.108956  30.39378       1.833429  -4.651520      1.999873  
1 1 1 -8  31 16 o 80.33662 0.9747430 64.83810       1.566070  65.53712       2.228384  64.15594       2.201377  0.8549881      1.949486  
1 1 1 -8  31 17 f 14.47676 1.186666  2.110007       0.3425254 1.895113       0.4777507 2.337302       0.4913432 -1.524404      2.373332  
1 1 1 -8  31 18 o 39.61478 0.7391763 15.72324       0.5853646 15.32971       0.8125528 16.14783       0.8440039 -1.028484      1.478353  
1 1 1 -8  31 19 o 57.93061 0.8133992 33.61784       0.9415170 32.48677       1.297312  34.87656       1.368555  -2.052349      1.626798  
1 1 1 -8  31 20 o 67.31639 0.8776003 45.30164       1.178340  43.00430       1.596266  48.05247       1.746729  -3.725731      1.755201  
1 1 1 -8  31 21 o 68.26974 0.8832175 46.79866       1.205932  46.76048       1.701964  46.83715       1.708949  -0.5499268E-01 1.766435  
1 1 1 -8  31 22 o 28.95448 0.7881572 8.402949       0.4502105 6.652928       0.6184307 10.37612       0.6566768 -6.423647      1.576314  
1 1 1 -8  31 23 o 32.48074 0.7461085 10.43478       0.4810404 11.86690       0.7371457 9.372562       0.6348466 3.824572       1.492217  
1 1 1 -8  31 24 o 20.19981 0.9425144 4.168379       0.3700003 3.024969       0.5202836 5.338327       0.5262870 -5.725084      1.885029  
1 1 1 -8  31 25 f 25.86633 0.8185390 6.759545       0.4207487 6.140080       0.6105717 7.319714       0.5806148 -2.285336      1.637078  
1 1 1 -8  31 26 o 33.31594 0.7673180 11.14614       0.5091992 9.866548       0.7112595 12.49152       0.7293125 -3.936451      1.534636  
1 1 1 -8  31 27 o 61.11365 0.8404382 37.51250       1.027011  37.59160       1.468871  37.43685       1.436496  0.1205788      1.680876  
1 1 1 -8  31 28 o 53.51123 0.7999858 28.66404       0.8548594 26.80092       1.174061  30.76635       1.247155  -3.692257      1.599972  
1 1 1 -8  31 29 o 44.00920 0.7664514 19.39252       0.6728455 20.09158       0.9947650 18.80301       0.9135132 1.449699       1.532903  
1 1 1 -8  31 30 o 52.62433 0.7993822 27.81952       0.8411379 27.37825       1.196076  28.25129       1.183127  -0.8319855     1.598764  
1 1 1 -8  31 31 o 28.11135 0.8389195 7.785644       0.4668666 9.163213       0.7247369 6.808483       0.6103889 4.164011       1.677839  
1 1 1 -8  31 32 o 30.64470 1.128323  9.476063       0.6830804 9.461262       1.050653  9.486900       0.8990183 -0.8375168E-01 2.256646  
1 1 1 -8  31 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  32 1  o 49.03492 0.8813719 24.24519       0.8428267 23.63981       1.341913  24.63959       1.083116  -1.059322      1.762744  
1 1 1 -8  32 2  o 98.98746 1.579097  99.14494       3.124766  97.39358       4.340222  101.0296       4.502411  -1.791496      3.158193  
1 1 1 -8  32 3  o 69.12631 1.191528  48.11963       1.647257  48.46429       2.341980  47.78217       2.317363  0.4882202      2.383056  
1 1 1 -8  32 4  o 57.82793 0.9425753 33.74952       1.051044  34.20970       1.326327  32.97276       1.723193  1.134693       1.885151  
1 1 1 -8  32 5  o 93.03889 1.360499  87.22375       2.350956  86.99088       2.839156  87.73172       4.193212  -0.7926941E-01 2.720999  
1 1 1 -8  32 6  o 42.70130 1.159536  18.38384       0.9883879 19.59413       1.393398  17.15816       1.402226  2.854145       2.319072  
1 1 1 -8  32 7  o 33.62665 1.204365  11.37535       0.8070567 12.75336       1.164489  10.10166       1.119539  3.933346       2.408731  
1 1 1 -8  32 8  o 33.32072 1.176341  11.17321       0.7825327 10.28461       1.092060  12.11101       1.121879  -2.734455      2.352681  
1 1 1 -8  32 9  o 75.97092 1.166384  58.38003       1.666952  57.29427       2.884571  58.92443       2.042539  -1.243240      2.332767  
1 1 1 -8  32 10 o 39.79391 0.7323834 15.84546       0.5820963 15.28202       0.7982172 16.48544       0.8507043 -1.505272      1.464767  
1 1 1 -8  32 11 f 23.14604 0.8456674 5.387199       0.3905036 4.974020       0.5541711 5.794714       0.5503595 -1.773432      1.691335  
1 1 1 -8  32 12 o 42.15029 1.136831  17.78699       0.9557194 16.54404       1.295214  19.27266       1.416036  -3.212280      2.273663  
1 1 1 -8  32 13 o 63.70152 0.8452838 40.71811       1.076736  40.28734       1.506185  41.16834       1.539841  -0.6863823     1.690568  
1 1 1 -8  32 14 o 52.83660 0.7846125 27.92698       0.8278746 29.50826       1.211851  26.54320       1.133642  2.794640       1.569225  
1 1 1 -8  32 15 f 90.76604 1.067553  82.84386       1.937237  81.57417       2.696074  84.19911       2.785446  -1.428146      2.135105  
1 1 1 -8  32 16 o 58.56814 0.8189794 34.23422       0.9562004 36.83939       1.424296  32.09659       1.290174  4.027893       1.637959  
1 1 1 -8  32 17 o 29.13217 0.7872125 8.524415       0.4580567 8.036423       0.6487833 9.009430       0.6468014 -1.670292      1.574425  
1 1 1 -8  32 18 o 16.38599 1.112140  2.722895       0.3597306 2.209130       0.5061134 3.247447       0.5113995 -3.167154      2.224280  
1 1 1 -8  32 19 o 8.453146 1.810292  0.7219775      0.3372061 0.9113899      0.4861742 0.5463855      0.4681018 1.714339       3.620584  
1 1 1 -8  32 20 o 47.44254 0.7708841 22.48031       0.7296637 21.04025       0.9909166 24.18596       1.078430  -3.301426      1.541768  
1 1 1 -8  32 21 o 33.34412 0.7907698 11.15568       0.5271719 11.57010       0.7539084 10.75917       0.7374319 1.213169       1.581540  
1 1 1 -8  32 22 o 14.03385 1.251849  2.062451       0.3382339 1.599263       0.5125569 2.419735       0.4501638 -2.940111      2.503699  
1 1 1 -8  32 23 o 7.968756 1.656044  0.6481940      0.3167594 0.1295443      0.4897418 1.021209       0.4153298 -3.749863      3.312087  
1 1 1 -8  32 24 o 36.30515 0.7631517 13.24469       0.5528899 12.19159       0.7800174 14.30805       0.7838050 -2.914188      1.526303  
1 1 1 -8  32 25 o 70.06360 0.9090366 49.29885       1.272636  50.50392       1.847682  48.21113       1.755418  1.617088       1.818073  
1 1 1 -8  32 26 o 22.87140 0.9091190 5.252932       0.4136462 5.325793       0.6195719 5.194338       0.5556094 0.2736759      1.818238  
1 1 1 -8  32 27 o 37.63863 0.7803532 14.26394       0.5858629 13.49019       0.8440239 14.98339       0.8138691 -1.989426      1.560706  
1 1 1 -8  32 28 o 10.40612 1.698398  1.393619       0.4023387 -0.1288330     0.7531792 2.001532       0.4759343 -7.340231      3.396796  
1 1 1 -8  32 29 o 54.41506 1.143223  29.91597       1.241945  29.09476       1.795623  30.66912       1.719593  -1.467812      2.286447  
1 1 1 -8  32 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  33 1  o 21.23037 0.8545592 4.539799       0.3614149 4.972533       0.5089499 4.099612       0.5133138 2.056564       1.709118  
1 1 1 -8  33 2  o 63.16192 0.8395554 40.05140       1.060475  40.10822       1.490969  39.99322       1.508663  0.9395599E-01  1.679111  
1 1 1 -8  33 3  o 28.77297 0.7658537 8.294434       0.4391206 9.309814       0.6341146 7.358854       0.6086862 3.386452       1.531707  
1 1 1 -8  33 4  o 84.25557 1.008795  71.38885       1.699901  71.90346       2.412434  70.88135       2.395700  0.6032333      2.017591  
1 1 1 -8  33 5  o 62.03111 0.8383006 38.62971       1.039946  39.19933       1.472596  38.06299       1.468822  0.9153175      1.676601  
1 1 1 -8  33 6  o 33.43401 0.7440184 11.20359       0.4972673 10.92229       0.6901613 11.50726       0.7170963 -0.8708611     1.488037  
1 1 1 -8  33 7  o 42.51141 0.7406302 18.10246       0.6292027 19.11130       0.9078814 17.17006       0.8728084 2.278049       1.481260  
1 1 1 -8  33 8  o 56.16847 0.8718638 31.85200       0.9738621 29.53358       1.420494  33.90811       1.337728  -3.908386      1.743728  
1 1 1 -8  33 9  o 13.55422 1.809184  1.830853       0.4139189 1.759859       0.4732809 2.061805       0.8536290 -0.6956434     3.618368  
1 1 1 -8  33 10 o 66.48574 0.8682500 44.39189       1.154504  44.43990       1.628285  44.34334       1.637181  0.7415771E-01  1.736500  
1 1 1 -8  33 11 o 30.01826 0.7697936 9.040486       0.4615580 9.668159       0.6587404 8.435168       0.6469039 2.051912       1.539587  
1 1 1 -8  33 12 o 35.16584 0.7558683 12.40372       0.5315496 12.62324       0.7587433 12.19213       0.7448972 0.6108589      1.511737  
1 1 1 -8  33 13 o 30.29475 0.7829240 9.192094       0.4738885 8.768456       0.6529706 9.663533       0.6888248 -1.471487      1.565848  
1 1 1 -8  33 14 o 60.31284 1.058009  36.74796       1.180423  36.95768       1.423628  36.28650       2.111659  0.7084160      2.116019  
1 1 1 -8  33 15 o 36.01812 0.9802116 13.07205       0.6488269 13.10521       0.7777903 12.99617       1.176534  0.2356682      1.960423  
1 1 1 -8  33 16 o 29.74483 1.199367  8.967392       0.7102706 9.653783       0.9869381 8.229953       1.022980  2.403034       2.398733  
1 1 1 -8  33 17 o 19.63221 1.497277  3.942730       0.5812258 4.563130       0.8157761 3.303100       0.8283225 3.213213       2.994553  
1 1 1 -8  33 18 o 53.17968 1.174338  28.52431       1.248393  28.53936       1.738552  28.50829       1.793729  0.4349136E-01  2.348676  
1 1 1 -8  33 19 o 23.60692 1.403313  5.606801       0.6513869 7.148083       0.9638863 4.311217       0.8837249 5.983868       2.806625  
1 1 1 -8  33 20 o 45.42501 1.145031  20.71457       1.037698  22.77205       1.523247  18.93283       1.417504  4.198368       2.290062  
1 1 1 -8  33 21 o 44.71589 1.149908  20.17232       1.027529  20.24409       1.425866  20.09479       1.482053  0.1819992      2.299817  
1 1 1 -8  33 22 o 68.11416 1.181421  46.61699       1.570497  47.83838       2.526799  45.84815       2.004756  1.312866       2.362842  
1 1 1 -8  33 23 o 29.46123 0.9972355 8.349394       0.5349213 9.691331       1.020974  7.841645       0.6280190 3.041653       1.994471  
1 1 1 -8  33 24 o 57.53650 1.365254  31.66102       1.167619  36.44366       2.959279  30.77918       1.270712  4.373009       2.730507  
1 1 1 -8  33 25 f 50.07475 1.475773  25.52505       1.291696  25.29511       2.535200  25.60567       1.501156  -0.6696587     2.951547  
1 1 1 -8  33 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  33 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  34 1  f 34.98054 0.7369736 12.27198       0.5151352 13.01088       0.7369831 11.56612       0.7203251 2.062386       1.473947  
1 1 1 -8  34 2  f 58.35637 0.8152956 33.87164       0.9460417 31.29954       1.257820  37.22189       1.435534  -5.042206      1.630591  
1 1 1 -8  34 3  o 54.16451 0.7949476 29.43149       0.8608194 30.50190       1.236405  28.42451       1.199212  1.911125       1.589895  
1 1 1 -8  34 4  o 28.87679 0.7876529 8.317737       0.4523922 7.178329       0.6156467 9.655123       0.6669918 -4.279627      1.575306  
1 1 1 -8  34 5  o 23.36730 1.465078  5.497342       0.6683776 4.013048       0.9033432 7.292838       0.9935390 -6.989277      2.930157  
1 1 1 -8  34 6  o 41.83602 0.7540370 17.53633       0.6300437 17.05844       0.8642384 18.07841       0.9204481 -1.209652      1.508074  
1 1 1 -8  34 7  o 63.09995 0.8467420 39.78162       1.064772  37.60771       1.433838  42.45431       1.589846  -3.811275      1.693484  
1 1 1 -8  34 8  o 47.03342 0.7589473 22.19906       0.7138793 22.52209       1.014219  21.88188       1.005000  0.6790466      1.517895  
1 1 1 -8  34 9  o 84.04319 1.012454  71.01884       1.700613  69.41950       2.352553  72.76929       2.461185  -1.968628      2.024908  
1 1 1 -8  34 10 o 18.66257 1.015687  3.503269       0.3779981 3.878538       0.5432439 3.151046       0.5262988 1.945265       2.031375  
1 1 1 -8  34 11 o 82.40643 0.9997228 68.23399       1.645873  66.24494       2.264318  70.46212       2.396538  -2.529228      1.999446  
1 1 1 -8  34 12 o 50.29854 0.7828096 25.35146       0.7867481 26.74567       1.140608  24.08611       1.086614  2.634224       1.565619  
1 1 1 -8  34 13 o 52.62038 0.7923626 27.75425       0.8329017 26.87725       1.144513  28.74161       1.214392  -1.758846      1.584725  
1 1 1 -8  34 14 o 36.61572 0.7662755 13.43465       0.5606469 12.77447       0.7746127 14.16097       0.8124918 -1.886574      1.532551  
1 1 1 -8  34 15 o 24.21792 0.8853527 5.883205       0.4265833 5.092212       0.5886767 6.757863       0.6190268 -3.432552      1.770705  
1 1 1 -8  34 16 o 51.33997 0.7993103 26.42458       0.8198743 25.41415       1.128401  27.55453       1.193272  -2.071926      1.598621  
1 1 1 -8  34 17 o 44.50842 0.7728294 19.86798       0.6873672 19.29920       0.9485755 20.49686       0.9974318 -1.336002      1.545659  
1 1 1 -8  34 18 o 13.78082 1.450550  1.978502       0.3763861 2.626046       0.5434873 1.381702       0.5217581 4.685390       2.901101  
1 1 1 -8  34 19 o 52.46347 0.8060060 27.64448       0.8456166 27.31868       1.184744  27.98282       1.207341  -0.6284332     1.612012  
1 1 1 -8  34 20 o 30.41848 0.9851840 8.970076       0.5667142 10.36612       1.006150  8.321383       0.6858570 3.284168       1.970368  
1 1 1 -8  34 21 o 57.35095 1.180380  33.23078       1.352976  32.53448       1.936581  33.89471       1.891027  -1.199150      2.360760  
1 1 1 -8  34 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -8  35 1  o 27.66275 0.7997606 7.686209       0.4398211 8.847840       0.6338608 6.607624       0.6107829 4.044525       1.599521  
1 1 1 -8  35 2  o 26.10211 0.8059630 6.854216       0.4200956 7.073153       0.5843421 6.620012       0.6043739 0.8720779      1.611926  
1 1 1 -8  35 3  o 21.91393 0.8542295 4.833251       0.3738841 4.992263       0.5212675 4.664766       0.5365684 0.7505245      1.708459  
1 1 1 -8  35 4  o 17.79436 1.000304  3.199117       0.3545841 3.498683       0.4989142 2.893363       0.5040402 1.702164       2.000608  
1 1 1 -8  35 5  o 51.16013 0.7836435 26.27892       0.8016760 25.79780       1.120661  26.78317       1.147290  -0.9577675     1.567287  
1 1 1 -8  35 6  o 29.27831 0.7962656 8.547788       0.4615718 10.41184       0.6829299 6.980221       0.6262670 5.849045       1.592531  
1 1 1 -8  35 7  o 8.961021 1.708971  0.8454936      0.3146315 0.9544754      0.4492094 0.7405440      0.4408214 1.058150       3.417942  
1 1 1 -8  35 8  o 30.79147 0.7697003 9.514962       0.4738479 9.253850       0.6602156 9.792356       0.6804884 -0.8705082     1.539401  
1 1 1 -8  35 9  o 29.46389 0.7818305 8.699230       0.4601901 8.276516       0.6331195 9.172719       0.6700649 -1.513603      1.563661  
1 1 1 -8  35 10 o 39.13900 0.7645481 15.32466       0.5973470 14.39157       0.8155555 16.40459       0.8773811 -2.559875      1.529096  
1 1 1 -8  35 11 o 23.69955 0.8890667 5.642005       0.4210863 5.962298       0.6051683 5.341381       0.5862920 1.305849       1.778133  
1 1 1 -8  35 12 o 15.91118 1.212485  2.604755       0.3642126 1.592584       0.5004205 3.744819       0.5310959 -6.754699      2.424969  
1 1 1 -8  35 13 o 10.52960 1.826783  1.108901       0.3737562 1.513352       0.6211959 0.8794062      0.4679304 2.797009       3.653565  
1 1 1 -8  35 14 o 32.04588 1.034702  10.20942       0.6586429 11.63904       1.004065  9.129587       0.8726270 3.881809       2.069404  
1 1 1 -8  35 15 f 9.602492 3.893709  0.000000       0.000000  ?              ?         0.4787267      1.168331  ?              ?         
1 1 1 -8  35 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  0  1  o 432.5513 6.361351  1874.649       54.91420  1827.231       75.49691  1927.920       80.02122  -0.000000      0.000000  
1 1 1 -7  0  2  o 80.50594 1.261625  64.86945       2.028080  63.65350       2.813683  66.18430       2.925882  -0.000000      0.000000  
1 1 1 -7  0  3  o 45.97524 0.8425003 21.14137       0.7727745 20.27028       1.064786  22.11083       1.123297  -0.000000      0.000000  
1 1 1 -7  0  4  o 120.3180 1.820249  144.9779       4.375473  145.8268       6.226727  144.1498       6.149696  -0.000000      0.000000  
1 1 1 -7  0  5  o 23.95585 0.6392178 5.762131       0.3052743 5.851757       0.4357837 5.675769       0.4277738 -0.000000      0.000000  
1 1 1 -7  0  6  o 192.6942 2.857674  371.7939       10.99821  377.3077       15.81442  366.6291       15.30568  -0.000000      0.000000  
1 1 1 -7  0  7  o 172.0257 2.558398  296.4100       8.793470  295.7113       12.40835  297.1150       12.46353  -0.000000      0.000000  
1 1 1 -7  0  8  o 441.5761 6.499657  1906.721       56.07617  1737.799       70.97356  2187.366       91.48143  -0.000000      0.000000  
1 1 1 -7  0  9  f 80.71889 1.269030  65.24186       2.046076  65.97760       2.927035  64.53883       2.861263  -0.000000      0.000000  
1 1 1 -7  0  10 o 490.4385 7.219059  2370.403       69.66663  2185.754       89.68192  2651.391       110.6305  -0.000000      0.000000  
1 1 1 -7  0  11 o 488.1345 8.795545  2420.927       83.58581  2530.094       108.3000  2260.098       131.4518  -0.000000      0.000000  
1 1 1 -7  0  12 o 637.4554 9.386122  4077.434       119.5172  4022.742       166.7194  4135.255       171.4246  -0.000000      0.000000  
1 1 1 -7  0  13 o 355.6683 5.258611  1245.206       36.84385  1143.376       47.55185  1398.166       58.27981  -0.000000      0.000000  
1 1 1 -7  0  14 o 291.1216 4.288970  844.9552       24.84422  891.7492       37.21811  807.3448       33.36665  -0.000000      0.000000  
1 1 1 -7  0  15 o 85.51483 1.342528  73.14878       2.291295  75.16522       3.331451  71.33867       3.156393  -0.000000      0.000000  
1 1 1 -7  0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  0  17 o 285.3823 4.215441  815.5856       24.02745  826.5610       34.55333  805.3095       33.43419  -0.000000      0.000000  
1 1 1 -7  0  18 o 227.1905 3.361495  516.8645       15.25576  510.8456       21.30902  523.1935       21.85100  -0.000000      0.000000  
1 1 1 -7  0  19 o 255.6797 3.780151  653.5447       19.27578  675.6559       28.29966  634.4083       26.32722  -0.000000      0.000000  
1 1 1 -7  0  20 o 505.6439 7.442788  2536.094       74.43158  2761.463       115.4602  2375.839       97.36278  -0.000000      0.000000  
1 1 1 -7  0  21 o 330.6849 4.874127  1093.453       32.14427  1057.595       43.87348  1135.006       47.22955  -0.000000      0.000000  
1 1 1 -7  0  22 o 516.6541 7.598074  2669.051       78.16599  2561.573       105.4569  2800.094       116.4449  -0.000000      0.000000  
1 1 1 -7  0  23 o 60.55592 1.037886  36.69563       1.254263  37.67397       1.820364  35.81136       1.730628  -0.000000      0.000000  
1 1 1 -7  0  24 o 195.8018 2.909889  384.0811       11.38401  383.8656       16.08858  384.2973       16.11029  -0.000000      0.000000  
1 1 1 -7  0  25 o 284.8618 4.205418  813.3853       23.93294  807.0995       33.53118  819.9131       34.17046  -0.000000      0.000000  
1 1 1 -7  0  26 o 435.3216 6.419308  1902.692       55.81584  1874.409       77.71722  1932.819       80.21297  -0.000000      0.000000  
1 1 1 -7  0  27 o 93.47369 1.467272  87.48037       2.739159  86.05168       3.816086  88.99880       3.934123  -0.000000      0.000000  
1 1 1 -7  0  28 f 384.7421 5.674868  1483.476       43.53210  1434.128       59.29655  1541.166       64.11250  -0.000000      0.000000  
1 1 1 -7  0  29 o 102.2750 1.588781  104.7766       3.246230  104.0741       4.565996  105.4946       4.616141  -0.000000      0.000000  
1 1 1 -7  0  30 o 95.08255 1.494528  90.56187       2.838926  90.86272       4.024233  90.26382       4.005528  -0.000000      0.000000  
1 1 1 -7  0  31 o 81.20824 1.311966  66.05067       2.128030  66.78792       3.042804  65.34485       2.977243  -0.000000      0.000000  
1 1 1 -7  0  32 o 170.8804 2.558412  292.6163       8.734324  294.4719       12.43931  290.8118       12.26689  -0.000000      0.000000  
1 1 1 -7  0  33 o 78.51174 1.605242  60.42377       2.304810  58.45014       2.733614  65.27645       4.286428  -0.000000      0.000000  
1 1 1 -7  0  34 o 109.1636 2.420141  119.3959       5.278050  119.3959       5.278050  119.3959       5.278050  -0.000000      0.000000  
1 1 1 -7  0  35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  0  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  0  37 o 18.64120 1.764044  3.568697       0.6467507 3.568697       0.6467507 3.568697       0.6467507 -0.000000      0.000000  
1 1 1 -7  0  38 o 110.2423 2.086379  123.1412       4.401895  117.6039       7.269469  126.3470       5.531262  -0.000000      0.000000  
1 1 1 -7  0  39 f 20.55488 1.068997  4.212263       0.4275442 5.400420       0.6526352 3.318995       0.5658803 -0.000000      0.000000  
1 1 1 -7  0  40 o 39.63286 0.9235161 15.75703       0.7300873 15.26849       1.021455  16.26727       1.043910  -0.000000      0.000000  
1 1 1 -7  0  41 o 100.8064 1.593209  101.8505       3.207427  103.3398       4.609121  100.4521       4.466227  -0.000000      0.000000  
1 1 1 -7  0  42 o 98.50031 1.561112  97.22167       3.070478  95.20173       4.262334  99.40067       4.426968  -0.000000      0.000000  
1 1 1 -7  0  43 o 105.1100 1.653461  110.8310       3.472038  110.3389       4.895706  111.3291       4.924831  -0.000000      0.000000  
1 1 1 -7  0  44 o 58.40696 1.083694  34.21146       1.263930  33.85706       1.786460  34.56665       1.788477  -0.000000      0.000000  
1 1 1 -7  0  45 o 5.916051 2.035626  0.3735465      0.3437425 -0.9083277E-01 0.4688299 0.9133848      0.5054879 -0.000000      0.000000  
1 1 1 -7  0  46 o 45.76241 0.9894273 20.97159       0.9026291 21.96629       1.316288  20.08866       1.240134  -0.000000      0.000000  
1 1 1 -7  0  47 o 50.60554 1.034823  25.68876       1.045193  25.01400       1.462069  26.39400       1.494723  -0.000000      0.000000  
1 1 1 -7  0  48 o 178.3855 2.699548  320.7982       9.617560  315.6637       13.37660  326.2927       13.83769  -0.000000      0.000000  
1 1 1 -7  0  49 o 40.30762 0.9938934 16.29746       0.7983149 16.93856       1.160864  15.72224       1.099601  -0.000000      0.000000  
1 1 1 -7  0  50 o 43.41606 1.005440  18.90722       0.8702848 19.62542       1.262128  18.25621       1.201636  -0.000000      0.000000  
1 1 1 -7  0  51 o 12.75373 1.987248  1.873288       0.4375681 1.402943       0.6242704 2.327541       0.6134995 -0.000000      0.000000  
1 1 1 -7  0  52 o 14.51664 1.616503  2.230047       0.4417649 2.273073       0.6322625 2.189007       0.6174991 -0.000000      0.000000  
1 1 1 -7  0  53 o 17.54153 1.382906  3.178338       0.4697008 2.642682       0.6372125 3.815675       0.6950663 -0.000000      0.000000  
1 1 1 -7  0  54 o 52.51293 1.092286  27.70464       1.144685  27.92951       1.640658  27.49135       1.597848  -0.000000      0.000000  
1 1 1 -7  0  55 o 21.10912 1.294506  4.576317       0.5341305 3.896350       0.7435994 5.301126       0.7677276 -0.000000      0.000000  
1 1 1 -7  0  56 o 18.09059 1.496949  3.416838       0.5101138 2.571701       0.7064936 4.337319       0.7373128 -0.000000      0.000000  
1 1 1 -7  0  57 o 16.59955 1.620165  2.904168       0.5147275 2.615044       0.7215266 3.203795       0.7345164 -0.000000      0.000000  
1 1 1 -7  0  58 o 48.69254 1.129265  23.83340       1.096062  24.45976       1.592903  23.27017       1.510509  -0.000000      0.000000  
1 1 1 -7  0  59 f 53.19289 2.423936  28.69269       2.567232  28.69269       2.567232  28.69269       2.567232  -0.000000      0.000000  
1 1 1 -7  0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  0  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  1  1  o 424.8839 4.463639  1785.137       37.46039  1668.486       48.65704  1954.904       58.69868  -33.54755      8.927278  
1 1 1 -7  1  2  o 42.69405 0.5538813 18.05697       0.4702703 19.84686       0.7129948 16.67873       0.6256566 3.710102       1.107763  
1 1 1 -7  1  3  o 351.0016 3.660071  1233.047       25.68299  1212.865       35.70348  1254.688       36.97221  -5.941071      7.320142  
1 1 1 -7  1  4  o 207.2599 2.169077  428.7125       8.972539  445.4165       13.20925  414.4030       12.22590  7.474197       4.338155  
1 1 1 -7  1  5  f 133.5060 1.417664  177.7739       3.776631  171.3547       5.136075  185.3304       5.572504  -5.231934      2.835328  
1 1 1 -7  1  6  o 250.2144 2.796876  622.3297       13.71367  647.1895       21.87960  606.2442       17.59974  8.141037       5.593752  
1 1 1 -7  1  7  o 252.2721 2.629819  636.3727       13.26093  624.3445       18.38211  649.4254       19.14896  -4.964310      5.259638  
1 1 1 -7  1  8  o 188.8963 1.978549  353.0762       7.406008  384.5244       11.43945  330.3837       9.717357  14.32024       3.957099  
1 1 1 -7  1  9  o 440.9290 4.592816  1936.807       40.32293  2056.331       60.54464  1841.528       54.05589  24.27423       9.185632  
1 1 1 -7  1  10 f 158.1440 1.672037  249.1985       5.272782  238.6116       7.133442  261.9494       7.828626  -7.375748      3.344074  
1 1 1 -7  1  11 o 394.6308 4.108398  1555.904       32.37317  1508.712       44.29201  1610.029       47.43452  -12.80878      8.216797  
1 1 1 -7  1  12 o 120.3205 1.286166  144.6592       3.092813  141.7040       4.277706  147.8960       4.476887  -2.572617      2.572332  
1 1 1 -7  1  13 f 368.3154 3.824964  1352.515       28.08197  1299.380       37.91482  1417.085       41.79607  -15.95151      7.649927  
1 1 1 -7  1  14 o 235.9756 2.464806  556.6736       11.62576  566.5331       16.78757  547.5875       16.11562  4.011261       4.929613  
1 1 1 -7  1  15 o 286.3765 3.439696  816.2807       19.60975  864.0486       29.47366  778.3408       26.26722  14.94330       6.879392  
1 1 1 -7  1  16 o 278.9114 4.109268  778.5591       22.92075  772.2038       32.17774  785.1052       32.65723  -2.308960      8.218536  
1 1 1 -7  1  17 o 257.5539 2.690292  662.6464       13.84106  645.2511       19.02047  682.2260       20.17934  -7.171921      5.380583  
1 1 1 -7  1  18 o 329.0143 3.418991  1082.131       22.47741  1107.894       32.62890  1058.863       31.00868  7.439850       6.837981  
1 1 1 -7  1  19 o 97.54061 1.071771  94.64906       2.081661  90.15759       2.791657  100.2741       3.124148  -5.185013      2.143542  
1 1 1 -7  1  20 o 259.2454 2.701639  671.0721       13.98341  694.3455       20.51106  650.8615       19.11383  8.377258       5.403278  
1 1 1 -7  1  21 o 190.1980 1.995084  361.8527       7.588957  363.3481       10.78551  360.3863       10.68008  0.7780151      3.990168  
1 1 1 -7  1  22 o 362.3541 3.764867  1314.636       27.28413  1317.737       38.66959  1311.563       38.50212  0.8499451      7.529735  
1 1 1 -7  1  23 o 251.3023 2.620059  631.9638       13.16843  633.2550       18.66642  630.6847       18.57984  0.5105896      5.240118  
1 1 1 -7  1  24 o 242.4645 2.531122  587.3466       12.25647  571.0197       16.80257  605.9127       17.91766  -7.183655      5.062245  
1 1 1 -7  1  25 f 133.6913 1.426609  178.7759       3.814368  177.9433       5.367069  179.6256       5.422013  -0.6287842     2.853219  
1 1 1 -7  1  26 o 263.3203 2.745976  693.3696       14.44681  677.1458       19.90319  711.4358       21.00290  -6.494568      5.491951  
1 1 1 -7  1  27 o 185.5229 1.951481  344.2355       7.237399  338.7732       10.05093  350.1176       10.43005  -3.052719      3.902963  
1 1 1 -7  1  28 o 178.6919 1.883237  319.0345       6.721422  329.0031       9.813988  310.2276       9.224433  5.245346       3.766473  
1 1 1 -7  1  29 o 241.2958 2.522766  582.7037       12.16749  572.6853       16.86655  593.5750       17.56985  -4.314316      5.045532  
1 1 1 -7  1  30 o 261.4068 3.349453  683.7288       16.45423  688.7982       28.73554  681.2558       20.07033  1.220306       6.698905  
1 1 1 -7  1  31 f 217.7018 3.229759  474.5356       14.04780  487.2816       20.43324  463.1116       19.34460  5.521530       6.459517  
1 1 1 -7  1  32 o 251.3409 3.719990  633.9084       18.69796  638.6842       26.66151  629.2863       26.22960  1.854904       7.439981  
1 1 1 -7  1  33 f 21.74751 0.9920897 4.692214       0.4170371 3.202290       0.5593835 6.556577       0.6257381 -7.711254      1.984179  
1 1 1 -7  1  34 o 45.25735 0.8059430 19.71984       0.6741154 18.58561       0.8007405 22.47979       1.249083  -4.298363      1.611886  
1 1 1 -7  1  35 o 165.3301 1.753054  273.3666       5.791876  267.6998       7.999576  279.6101       8.396749  -3.593735      3.506108  
1 1 1 -7  1  36 o 75.65556 0.8879269 57.17557       1.342250  59.02479       1.950862  55.51328       1.849636  2.319458       1.775854  
1 1 1 -7  1  37 o 244.4410 3.154817  596.6135       14.39476  590.2621       17.42106  610.2817       25.55651  -3.687714      6.309633  
1 1 1 -7  1  38 o 86.06744 1.389457  74.12236       2.391117  75.47563       3.429805  72.84265       3.335275  1.527092       2.778914  
1 1 1 -7  1  39 o 40.27840 0.9152336 16.22268       0.7367762 15.98767       1.020234  16.47882       1.065133  -0.6087418     1.830467  
1 1 1 -7  1  40 o 42.47491 0.9314853 17.89219       0.7877534 20.06198       1.180566  16.15071       1.057645  4.601055       1.862971  
1 1 1 -7  1  41 o 24.32498 0.8170162 5.618226       0.3764372 6.860024       0.6721247 5.050669       0.4543900 3.713264       1.634032  
1 1 1 -7  1  42 f 156.1458 1.667353  244.1345       5.200370  237.4543       7.141313  251.6763       7.587849  -4.526932      3.334706  
1 1 1 -7  1  43 o 34.30084 0.6560262 11.66318       0.4478696 13.29634       0.6694659 10.34010       0.6025693 4.307343       1.312052  
1 1 1 -7  1  44 o 50.44418 0.7110652 25.36782       0.7158287 24.04039       0.9739234 26.92747       1.055681  -2.858883      1.422130  
1 1 1 -7  1  45 o 44.93871 0.6950606 19.93331       0.6202799 17.81755       0.8206955 22.75204       0.9472743 -5.485588      1.390121  
1 1 1 -7  1  46 o 62.30566 0.7982284 38.81733       0.9940235 40.00284       1.438180  37.73301       1.375441  1.818684       1.596457  
1 1 1 -7  1  47 f 130.6525 1.422596  170.8454       3.708015  164.5200       5.034905  178.3422       5.481344  -5.246780      2.845193  
1 1 1 -7  1  48 o 36.41650 0.6910747 13.26151       0.5030727 13.83051       0.7236841 12.72942       0.6998204 1.510647       1.382149  
1 1 1 -7  1  49 o 41.14697 0.6948152 16.94970       0.5717891 16.89284       0.8081776 17.00669       0.8090869 -0.1383018     1.389630  
1 1 1 -7  1  50 o 53.33834 0.7514452 28.46947       0.8012292 29.18219       1.155303  27.80900       1.112147  1.284279       1.502890  
1 1 1 -7  1  51 o 24.45956 0.7829708 5.991726       0.3829608 6.135002       0.5466899 5.853675       0.5366271 0.5742607      1.565942  
1 1 1 -7  1  52 o 17.79845 0.9369674 3.175201       0.3334456 3.239776       0.4782395 3.114109       0.4651591 0.3516598      1.873935  
1 1 1 -7  1  53 o 12.09930 1.343117  1.484671       0.3131782 1.853518       0.4633140 1.174352       0.4249681 2.961204       2.686234  
1 1 1 -7  1  54 o 17.07712 1.024571  2.953740       0.3441846 2.324981       0.4834831 3.599789       0.4900853 -3.731606      2.049143  
1 1 1 -7  1  55 o 34.37699 0.7534093 11.84468       0.5179890 11.85555       0.7349721 11.83395       0.7301458 0.3089905E-01  1.506819  
1 1 1 -7  1  56 o 20.24224 0.9526159 4.129027       0.3816261 3.402590       0.5334436 4.890578       0.5461835 -3.673662      1.905232  
1 1 1 -7  1  57 o 19.62533 0.9735351 3.865810       0.3817111 4.125106       0.5480933 3.621598       0.5319124 1.280094       1.947070  
1 1 1 -7  1  58 o 33.99354 0.9575629 11.52045       0.6480537 13.16298       0.9611957 10.15155       0.8774866 4.415272       1.915126  
1 1 1 -7  1  59 o 25.55178 1.905333  6.658764       0.9733065 6.731518       1.362227  6.582888       1.391156  0.3013706      3.810665  
1 1 1 -7  1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  1  64 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  2  1  o 361.9989 3.778205  1312.188       27.35368  1306.607       38.54945  1317.848       38.81985  -1.549164      7.556411  
1 1 1 -7  2  2  o 152.4301 1.609412  232.3308       4.905000  235.3986       7.039560  229.4360       6.838255  1.954742       3.218823  
1 1 1 -7  2  3  o 391.5252 4.074930  1533.644       31.87528  1571.876       46.35755  1499.358       43.89971  9.226410       8.149860  
1 1 1 -7  2  4  o 182.0828 1.909111  330.8058       6.937221  319.5290       9.445234  344.0141       10.22219  -6.718521      3.818223  
1 1 1 -7  2  5  o 259.0611 2.698088  669.8119       13.94791  646.7193       18.97826  696.9358       20.56818  -9.677521      5.396177  
1 1 1 -7  2  6  o 203.1744 2.123802  412.6473       8.624049  421.2047       12.47661  404.8181       11.93397  4.028854       4.247604  
1 1 1 -7  2  7  o 416.6791 4.357455  1720.977       35.98277  1613.718       47.23965  1869.217       55.53567  -30.54663      8.714911  
1 1 1 -7  2  8  o 307.8725 3.199006  948.5826       19.69661  943.2358       27.68069  954.0662       28.03308  -1.755676      6.398012  
1 1 1 -7  2  9  f 139.9740 1.484470  195.1844       4.142354  186.9186       5.594868  205.2128       6.162535  -6.532654      2.968940  
1 1 1 -7  2  10 o 484.4364 5.034729  2347.997       48.72472  2298.203       67.05140  2403.712       70.92605  -10.84491      10.06946  
1 1 1 -7  2  11 o 169.9252 1.788924  288.5897       6.075628  294.2533       8.784533  283.3962       8.412039  3.193298       3.577848  
1 1 1 -7  2  12 o 521.1135 5.408906  2719.732       56.37159  2707.574       79.37271  2732.106       80.07484  -2.346741      10.81781  
1 1 1 -7  2  13 o 213.1668 2.228219  454.4361       9.498311  459.1198       13.57053  449.9381       13.29887  2.152542       4.456438  
1 1 1 -7  2  14 o 444.3726 4.612672  1976.422       40.98656  1997.832       58.67254  1956.016       57.28005  4.693115       9.225345  
1 1 1 -7  2  15 o 274.4645 3.297970  752.2663       18.07294  778.1326       26.49603  729.7608       24.71482  8.800751       6.595939  
1 1 1 -7  2  16 o 358.5446 5.272690  1286.855       37.79493  1264.923       52.56334  1310.332       54.38332  -6.313599      10.54538  
1 1 1 -7  2  17 o 484.5807 5.038308  2325.198       48.36134  2174.022       63.36822  2536.072       74.84118  -37.24146      10.07662  
1 1 1 -7  2  18 o 83.23866 0.9307102 67.82881       1.524720  77.37288       2.432643  61.65350       1.956776  9.441422       1.861420  
1 1 1 -7  2  19 o 458.5408 4.775252  2092.667       43.57869  1982.163       58.26191  2233.007       65.65804  -27.27118      9.550505  
1 1 1 -7  2  20 o 307.3709 3.196357  945.4683       19.64934  945.3846       27.77295  945.5522       27.80380  -0.2703857E-01 6.392715  
1 1 1 -7  2  21 o 342.8297 3.565731  1176.333       24.44567  1188.079       34.90834  1165.029       34.24403  3.354950       7.131462  
1 1 1 -7  2  22 o 168.4072 1.776205  283.4881       5.979238  289.5498       8.630284  277.8926       8.291712  3.459106       3.552410  
1 1 1 -7  2  23 o 272.1679 2.835466  739.5087       15.40089  714.7881       20.96976  768.4575       22.69237  -9.841461      5.670932  
1 1 1 -7  2  24 o 104.7216 1.142370  109.6758       2.392501  110.4520       3.404092  108.9182       3.363292  0.7321396      2.284740  
1 1 1 -7  2  25 o 341.4684 3.552116  1163.822       24.18017  1118.654       32.66749  1218.557       35.96114  -14.57043      7.104233  
1 1 1 -7  2  26 o 104.5793 1.143546  109.3680       2.391501  108.0447       3.348531  110.7457       3.416686  -1.290909      2.287092  
1 1 1 -7  2  27 o 187.6191 2.427852  350.0985       8.500563  358.7475       15.11134  346.0947       10.28156  3.296677       4.855704  
1 1 1 -7  2  28 o 196.2848 2.916963  385.7760       11.44575  392.4455       16.49092  379.5768       15.89878  3.264908       5.833926  
1 1 1 -7  2  29 o 239.7785 3.547097  576.4426       17.00671  583.0326       24.35380  570.1703       23.75945  2.665161       7.094194  
1 1 1 -7  2  30 o 167.1728 2.499986  279.3231       8.345106  288.7424       12.22435  271.1022       11.42018  5.260376       4.999972  
1 1 1 -7  2  31 o 181.5410 2.342481  330.6082       8.037100  331.8489       9.876361  328.1758       13.82882  1.089905       4.684963  
1 1 1 -7  2  32 o 219.3557 2.298258  481.7619       10.08149  485.9559       14.39253  477.7218       14.12596  1.871262       4.596516  
1 1 1 -7  2  33 o 236.2072 2.472032  558.5327       11.67142  569.3520       16.85336  548.5619       16.17904  4.384048       4.944065  
1 1 1 -7  2  34 o 174.3608 1.842085  303.6696       6.411799  314.7872       9.417855  294.0645       8.753821  5.929016       3.684171  
1 1 1 -7  2  35 o 90.62213 1.019153  82.09581       1.846170  83.81797       2.663970  80.50441       2.560840  1.826958       2.038305  
1 1 1 -7  2  36 o 151.0706 1.609292  228.4376       4.861854  230.2528       6.934215  226.6824       6.818643  1.179001       3.218585  
1 1 1 -7  2  37 o 131.1999 1.413474  172.2923       3.708947  172.3760       5.249908  172.2088       5.240590  0.6349182E-01  2.826947  
1 1 1 -7  2  38 o 77.54604 0.9068835 60.12773       1.405969  61.33804       2.022654  58.99621       1.955715  1.508766       1.813767  
1 1 1 -7  2  39 o 128.6106 1.390728  164.5559       3.558782  175.6989       5.371021  155.8353       4.751488  7.702301       2.781456  
1 1 1 -7  2  40 o 105.3260 1.167312  111.0379       2.458702  112.2987       3.508778  109.8215       3.446322  1.173927       2.334624  
1 1 1 -7  2  41 o 24.27687 0.8417705 6.162151       0.3881332 7.002074       0.4999236 4.887607       0.6158314 4.358028       1.683541  
1 1 1 -7  2  42 o 100.6767 1.588550  101.4932       3.195561  104.6040       4.643780  98.69509       4.404148  2.920387       3.177101  
1 1 1 -7  2  43 f 64.27782 1.138278  41.17215       1.458030  39.03230       1.963127  43.80465       2.177414  -3.701382      2.276556  
1 1 1 -7  2  44 o 65.65924 0.9970296 43.51212       1.251513  41.98449       2.086305  44.37084       1.564202  -1.841904      1.994059  
1 1 1 -7  2  45 o 93.14378 1.060060  86.87536       1.974259  88.14493       2.830854  85.67315       2.754749  1.322563       2.120119  
1 1 1 -7  2  46 o 11.56150 1.275349  1.370033       0.2744433 0.8360502      0.3713767 2.012496       0.4073567 -5.225750      2.550698  
1 1 1 -7  2  47 o 38.95422 0.6876176 15.17961       0.5355600 15.60863       0.7680470 14.77358       0.7471765 1.070862       1.375235  
1 1 1 -7  2  48 o 77.37408 0.9238855 59.96770       1.429647  60.30255       2.032023  59.63949       2.011782  0.4271469      1.847771  
1 1 1 -7  2  49 o 21.15503 0.8087924 4.473077       0.3418446 4.269318       0.4708026 4.700286       0.4971558 -1.016830      1.617585  
1 1 1 -7  2  50 o 70.17723 0.8727865 49.31104       1.224379  50.44507       1.765972  48.26135       1.699034  1.550430       1.745573  
1 1 1 -7  2  51 o 82.16477 0.9769281 67.63701       1.604353  69.42924       2.320089  65.99465       2.220952  2.079941       1.953856  
1 1 1 -7  2  52 o 17.14837 0.9764129 2.943593       0.3341672 2.684529       0.4622767 3.227123       0.4836127 -1.579710      1.952826  
1 1 1 -7  2  53 o 65.36973 0.8518046 42.78014       1.112687  44.30157       1.615101  41.40570       1.535100  2.206497       1.703609  
1 1 1 -7  2  54 o 27.49123 0.7873060 7.566422       0.4325563 7.982114       0.6230699 7.179680       0.6009818 1.457083       1.574612  
1 1 1 -7  2  55 o 38.13827 0.7442072 14.57415       0.5675770 14.89446       0.8097310 14.26478       0.7958006 0.8240433      1.488414  
1 1 1 -7  2  56 o 15.23356 1.155711  2.339478       0.3511540 2.165006       0.5003395 2.508838       0.4929564 -1.129814      2.311422  
1 1 1 -7  2  57 o 51.58767 0.7927741 26.47279       0.8143519 29.21433       1.222996  24.28901       1.091521  4.755692       1.585548  
1 1 1 -7  2  58 o 21.51141 1.268278  4.716622       0.5379556 4.289082       0.8090852 5.055398       0.7202145 -1.800959      2.536557  
1 1 1 -7  2  59 f 32.47910 1.762840  10.75786       1.134455  12.62537       1.624492  8.980138       1.584962  5.598347       3.525680  
1 1 1 -7  2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  3  1  o 128.0522 1.362464  162.1902       3.457685  151.4628       4.538137  177.0359       5.338618  -9.982086      2.724927  
1 1 1 -7  3  2  o 273.2761 2.848840  746.0689       15.54826  769.9897       22.72663  725.0214       21.31802  8.215057       5.697681  
1 1 1 -7  3  3  o 455.6773 4.733356  2079.560       43.11854  2048.590       59.92739  2112.804       62.08763  -7.013733      9.466713  
1 1 1 -7  3  4  o 551.8617 5.740454  3051.438       63.29714  2991.259       87.27897  3118.206       91.93366  -11.41803      11.48091  
1 1 1 -7  3  5  o 252.2866 2.631142  636.5648       13.27001  646.3279       19.11043  627.4741       18.44073  3.731171       5.262284  
1 1 1 -7  3  6  o 101.9652 1.100618  103.8347       2.242016  101.0809       3.084582  106.9191       3.264436  -2.862251      2.201236  
1 1 1 -7  3  7  o 277.2747 2.885678  768.4862       15.98821  787.8165       23.20638  751.0206       22.05873  6.626221       5.771355  
1 1 1 -7  3  8  f 298.2437 3.099652  889.9542       18.48637  881.9628       25.88273  898.2761       26.41267  -2.730774      6.199303  
1 1 1 -7  3  9  o 34.99046 0.5101488 12.14227       0.3553711 11.19755       0.4756232 13.33619       0.5346872 -3.055962      1.020298  
1 1 1 -7  3  10 o 376.8553 3.923700  1421.328       29.57151  1408.517       41.53806  1434.493       42.10865  -3.441803      7.847401  
1 1 1 -7  3  11 o 300.2498 3.120225  899.1090       18.68543  938.8713       27.67835  865.8124       25.32816  12.15240       6.240450  
1 1 1 -7  3  12 o 156.3874 1.648923  244.3935       5.153616  239.4378       7.126496  249.8264       7.461679  -3.320419      3.297847  
1 1 1 -7  3  13 o 216.0601 2.257338  466.6999       9.750111  459.2390       13.54989  474.7111       14.04068  -3.578476      4.514677  
1 1 1 -7  3  14 o 166.0360 2.472142  275.7350       8.208445  278.0665       11.70995  273.4826       11.50963  1.379486       4.944283  
1 1 1 -7  3  15 o 533.8293 5.547375  2847.893       59.11972  2750.117       80.72815  2960.981       86.81964  -19.68427      11.09475  
1 1 1 -7  3  16 o 150.3343 2.250422  225.9022       6.761945  221.7300       9.364299  230.4480       9.774558  -2.897736      4.500843  
1 1 1 -7  3  17 o 204.6737 2.142910  416.6744       8.728902  396.8627       11.67488  441.7874       13.14443  -10.96831      4.285820  
1 1 1 -7  3  18 o 436.8255 4.536108  1909.682       39.61362  1940.551       57.00264  1880.850       55.09052  6.814575       9.072216  
1 1 1 -7  3  19 o 400.0463 4.166664  1601.533       33.31503  1621.383       48.12091  1583.261       46.16881  4.745087       8.333328  
1 1 1 -7  3  20 o 188.7763 1.980102  356.1386       7.470128  348.5358       10.32329  364.4954       10.82314  -4.224472      3.960205  
1 1 1 -7  3  21 o 294.9676 3.067551  869.9070       18.08152  890.3741       26.21830  851.3428       24.96962  6.604797       6.135102  
1 1 1 -7  3  22 o 160.7700 1.697476  257.0706       5.431873  244.5062       7.268035  272.9680       8.175432  -8.846481      3.394953  
1 1 1 -7  3  23 o 262.9637 3.348026  695.0587       16.71318  683.7232       28.43013  701.0449       20.66018  -3.394104      6.696053  
1 1 1 -7  3  24 o 378.5025 5.570232  1435.594       42.09670  1393.520       57.58341  1483.894       61.69665  -11.83438      11.14046  
1 1 1 -7  3  25 f 161.6889 2.418194  261.6401       7.819500  263.1197       11.12589  260.1960       10.99221  0.9024506      4.836387  
1 1 1 -7  3  26 o 108.4947 1.668306  117.5083       3.613444  113.7740       4.934756  121.8251       5.305753  -3.706734      3.336612  
1 1 1 -7  3  27 o 298.4439 3.813644  891.8954       21.40652  889.3802       26.13730  897.0196       37.30724  -0.9926758     7.627287  
1 1 1 -7  3  28 o 138.5390 1.478239  191.6271       4.088957  198.5457       5.995652  185.6113       5.590864  4.663452       2.956479  
1 1 1 -7  3  29 o 91.19197 1.016275  82.75180       1.846045  87.76063       2.764407  78.72034       2.480080  4.954430       2.032550  
1 1 1 -7  3  30 o 98.25665 1.086057  96.46465       2.132378  98.94939       3.094497  94.21797       2.942516  2.406387       2.172114  
1 1 1 -7  3  31 o 208.4383 2.187061  434.2697       9.104540  422.3681       12.48629  447.7812       13.30412  -6.080368      4.374122  
1 1 1 -7  3  32 f 227.3442 2.379981  517.5701       10.82044  521.5137       15.43172  513.7560       15.17631  1.700485       4.759963  
1 1 1 -7  3  33 o 160.1740 1.699109  256.1773       5.432212  265.7770       7.989613  247.9245       7.407936  5.562653       3.398218  
1 1 1 -7  3  34 o 247.1711 2.585703  612.2169       12.78204  613.9788       18.13451  610.4771       18.01911  0.7050171      5.171407  
1 1 1 -7  3  35 o 82.70979 0.9480740 68.03571       1.561621  72.57625       2.343135  64.40721       2.094632  4.935432       1.896148  
1 1 1 -7  3  36 o 40.88702 0.6513466 16.48648       0.5288556 14.62551       0.7003453 18.95565       0.8067127 -5.294205      1.302693  
1 1 1 -7  3  37 o 18.28742 0.8002698 3.307894       0.2902429 2.765077       0.3901312 3.980740       0.4343514 -3.323183      1.600540  
1 1 1 -7  3  38 o 119.9181 1.304581  143.9023       3.128132  142.0004       4.367362  145.9058       4.482582  -1.625237      2.609162  
1 1 1 -7  3  39 o 141.2692 1.515062  199.8777       4.280569  200.4602       6.073318  199.3027       6.034150  0.4082642      3.030124  
1 1 1 -7  3  40 o 81.49641 0.9457316 66.08157       1.535174  62.45447       2.060925  70.60287       2.300986  -4.992546      1.891463  
1 1 1 -7  3  41 o 20.81876 0.7330788 4.339170       0.3050381 4.195464       0.4338120 4.479711       0.4290062 -0.6827888     1.466158  
1 1 1 -7  3  42 f 46.25673 0.6866677 21.38815       0.6349480 20.75915       0.8813719 22.06681       0.9155046 -1.412567      1.373335  
1 1 1 -7  3  43 o 12.64936 1.125072  1.649745       0.2624587 1.038788       0.3607282 2.336965       0.3825801 -5.260280      2.250145  
1 1 1 -7  3  44 o 19.67686 0.9516867 3.958416       0.3543411 4.148190       0.4413379 3.614194       0.5943913 1.363899       1.903373  
1 1 1 -7  3  45 o 60.63859 1.108454  36.32678       1.333201  40.89167       2.053099  32.99847       1.753102  6.490467       2.216908  
1 1 1 -7  3  46 o 14.72055 1.345139  2.175342       0.3953964 2.210818       0.5466667 2.136423       0.5725833 0.2547388      2.690277  
1 1 1 -7  3  47 o 83.82925 1.382651  70.47278       2.316679  72.34360       3.349407  68.75687       3.207742  2.125618       2.765302  
1 1 1 -7  3  48 o 22.47476 0.9337232 4.993939       0.3945688 5.253391       0.6955380 4.870823       0.4791241 0.8365059      1.867446  
1 1 1 -7  3  49 o 63.69125 0.8211331 40.45300       1.043132  43.01104       1.546605  38.31821       1.412872  3.674831       1.642266  
1 1 1 -7  3  50 o 24.53753 0.7698126 6.027504       0.3773981 6.416758       0.5401598 5.656271       0.5275081 1.548714       1.539625  
1 1 1 -7  3  51 o 53.07612 0.7675667 28.07593       0.8125154 26.29374       1.100159  30.21450       1.205145  -3.685066      1.535133  
1 1 1 -7  3  52 o 16.19769 1.028980  2.611702       0.3292147 3.244718       0.4883220 2.084259       0.4457452 3.577205       2.057960  
1 1 1 -7  3  53 o 37.41954 0.7356314 13.99523       0.5498041 13.08908       0.7578315 15.00219       0.7988718 -2.552479      1.471263  
1 1 1 -7  3  54 f 49.49257 0.7666263 24.55036       0.7588389 24.56118       1.075599  24.53965       1.070738  0.2124023E-01  1.533253  
1 1 1 -7  3  55 o 35.58801 0.7483453 12.68633       0.5324789 12.33672       0.7424440 13.05662       0.7641006 -1.009083      1.496691  
1 1 1 -7  3  56 o 92.79381 1.180839  86.03618       2.150349  89.63081       3.416028  83.67690       2.767466  3.091179       2.361679  
1 1 1 -7  3  57 o 21.94335 0.9804010 4.831347       0.4290707 4.923901       0.6333533 4.752837       0.5833246 0.3812180      1.960802  
1 1 1 -7  3  58 o 39.52631 1.166212  15.79156       0.9178241 17.26376       1.286762  14.26678       1.309537  3.795834       2.332423  
1 1 1 -7  3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  3  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  4  1  o 166.6688 2.145622  278.4918       6.766816  275.9736       11.61060  279.7871       8.327303  -1.161774      4.291245  
1 1 1 -7  4  2  f 553.1938 6.373119  2951.049       66.70733  3431.372       118.4517  2727.962       80.72551  62.94745       12.74624  
1 1 1 -7  4  3  f 245.9083 2.566106  604.2533       12.60605  619.9466       18.35753  590.2496       17.34114  6.031326       5.132211  
1 1 1 -7  4  4  o 436.3846 4.537719  1905.500       39.57851  1861.598       54.79484  1953.390       57.22944  -10.48843      9.075438  
1 1 1 -7  4  5  o 352.2288 3.670569  1230.551       25.65479  1157.646       33.84442  1329.024       39.33395  -24.27640      7.341139  
1 1 1 -7  4  6  o 151.7121 1.617867  230.1926       4.908703  228.9847       6.897262  231.4323       6.987526  -0.8063049     3.235734  
1 1 1 -7  4  7  o 78.02216 0.8803728 59.28397       1.346279  68.78396       2.183079  53.45387       1.710195  9.823235       1.760746  
1 1 1 -7  4  8  o 297.3692 3.094607  884.4137       18.39758  872.0859       25.59513  897.5914       26.46277  -4.282806      6.189214  
1 1 1 -7  4  9  o 364.5510 3.785506  1330.040       27.60013  1329.598       39.07291  1330.479       38.99217  -0.1215210     7.571013  
1 1 1 -7  4  10 f 546.2283 6.222822  2925.875       65.52411  3224.667       110.5018  2763.845       81.37360  41.84393       12.44564  
1 1 1 -7  4  11 o 348.5241 3.624208  1213.453       25.22791  1178.463       34.60592  1253.140       36.85556  -10.69849      7.248416  
1 1 1 -7  4  12 f 181.9417 1.910126  329.8540       6.928092  345.7777       10.30537  316.7220       9.358529  7.981583       3.820253  
1 1 1 -7  4  13 o 190.2921 2.819756  362.0486       10.72641  355.6702       14.89469  368.9203       15.45998  -3.478516      5.639512  
1 1 1 -7  4  14 o 256.2870 2.668258  656.3006       13.66275  640.7754       18.81883  673.6050       19.86793  -6.399399      5.336516  
1 1 1 -7  4  15 o 153.6731 1.625972  236.1790       4.997167  235.1090       7.030041  237.2719       7.104671  -0.7034912     3.251943  
1 1 1 -7  4  16 o 186.6124 2.774798  348.3892       10.35596  347.6954       14.58689  349.0943       14.70492  -0.3741455     5.549596  
1 1 1 -7  4  17 f 574.1425 5.968210  3303.417       68.53164  3295.372       96.71220  3311.531       97.12585  -1.401978      11.93642  
1 1 1 -7  4  18 o 216.9265 2.268483  470.3197       9.834300  480.6627       14.24521  460.9017       13.59328  4.551331       4.536966  
1 1 1 -7  4  19 o 237.2050 2.479208  562.7997       11.75999  556.3376       16.46535  569.5289       16.80204  -2.778442      4.958416  
1 1 1 -7  4  20 f 480.9865 6.178112  2290.845       54.93715  2398.356       99.85182  2244.173       65.78972  15.43802       12.35622  
1 1 1 -7  4  21 o 456.5092 6.713818  2077.373       60.91339  1966.486       80.91438  2222.416       92.54055  -27.78223      13.42764  
1 1 1 -7  4  22 o 263.5511 3.884959  695.4871       20.47314  687.3012       28.59366  704.0982       29.32707  -3.176270      7.769918  
1 1 1 -7  4  23 o 251.0940 3.704734  630.7094       18.58393  647.7335       27.05604  615.5036       25.57015  6.394653       7.409468  
1 1 1 -7  4  24 o 16.57560 0.8050267 2.770887       0.2572687 2.838201       0.3254558 2.658758       0.4200451 0.5416489      1.610053  
1 1 1 -7  4  25 o 164.3643 1.736464  269.1193       5.687729  257.4502       7.664077  283.4249       8.485884  -7.893784      3.472928  
1 1 1 -7  4  26 o 148.5697 1.578584  220.3354       4.681740  213.3281       6.390247  228.4547       6.878658  -5.085907      3.157169  
1 1 1 -7  4  27 o 161.7134 1.710089  261.0558       5.520017  271.0356       8.117261  252.4703       7.528868  5.732803       3.420177  
1 1 1 -7  4  28 o 67.20055 0.7952316 45.13603       1.068332  44.20803       1.484295  46.13355       1.538884  -1.432312      1.590463  
1 1 1 -7  4  29 o 89.20444 0.9979949 79.17590       1.773536  84.13190       2.654122  75.17770       2.383899  5.016823       1.995990  
1 1 1 -7  4  30 o 321.7723 3.351686  1038.059       21.56926  1041.148       30.60443  1035.010       30.40364  0.9483032      6.703371  
1 1 1 -7  4  31 f 155.2086 1.647656  241.0531       5.114389  242.1393       7.272762  239.9905       7.193565  0.6910553      3.295312  
1 1 1 -7  4  32 o 193.1898 2.033237  372.9997       7.844691  362.3825       10.75355  385.0769       11.46913  -5.859573      4.066474  
1 1 1 -7  4  33 o 168.4930 1.783239  284.0055       6.006276  279.2546       8.338319  289.1288       8.659072  -2.924088      3.566478  
1 1 1 -7  4  34 f 70.96761 0.8449261 49.93795       1.192075  54.29807       1.810380  46.60041       1.583922  5.421165       1.689852  
1 1 1 -7  4  35 o 142.0829 1.519152  201.7088       4.311017  195.9330       5.913849  208.2585       6.297629  -4.329803      3.038304  
1 1 1 -7  4  36 o 110.1144 1.206637  121.2949       2.656775  122.9086       3.805883  119.7610       3.710428  1.427437       2.413274  
1 1 1 -7  4  37 f 140.1754 1.502586  195.9176       4.198570  187.5727       5.667588  206.0672       6.250461  -6.581558      3.005173  
1 1 1 -7  4  38 o 172.3644 1.827277  297.7042       6.299121  298.2035       8.925244  297.2086       8.891456  0.2872467      3.654554  
1 1 1 -7  4  39 o 88.42265 1.005064  77.84727       1.770784  82.66533       2.646302  73.94063       2.382894  4.926834       2.010129  
1 1 1 -7  4  40 o 55.99275 0.7359373 31.33090       0.8235652 30.43903       1.138889  32.30846       1.192343  -1.668121      1.471875  
1 1 1 -7  4  41 f 38.86051 0.6503720 14.92908       0.5024799 17.08912       0.7595578 13.24811       0.6700559 4.940052       1.300744  
1 1 1 -7  4  42 o 83.24458 0.9643221 69.04567       1.600207  65.56779       2.159108  73.28429       2.383575  -4.625839      1.928644  
1 1 1 -7  4  43 o 26.41740 0.6741058 6.904296       0.3537925 5.934104       0.4746707 8.116941       0.5306773 -4.129715      1.348212  
1 1 1 -7  4  44 o 66.01696 1.167357  43.66209       1.541125  43.35944       2.160080  43.97587       2.199412  -0.4645538     2.334713  
1 1 1 -7  4  45 o 68.10930 0.8434709 46.42366       1.148687  47.13724       1.646659  45.74727       1.603189  1.018394       1.686942  
1 1 1 -7  4  46 o 108.5426 1.206022  117.8834       2.614129  122.0769       3.826025  114.2117       3.580089  3.604912       2.412044  
1 1 1 -7  4  47 o 68.77502 0.8584256 47.36791       1.180747  47.65271       1.675218  47.08675       1.664490  0.4108047      1.716851  
1 1 1 -7  4  48 o 41.20614 0.8532776 16.91320       0.6679088 16.71321       0.8220724 17.30159       1.145635  -0.6931686     1.706555  
1 1 1 -7  4  49 f 44.48847 1.002204  19.84014       0.8916814 20.12467       1.263818  19.55811       1.258256  0.6362686      2.004408  
1 1 1 -7  4  50 f 28.31655 1.033574  7.975063       0.5827730 7.312034       0.7811807 8.807160       0.8751285 -2.630426      2.067147  
1 1 1 -7  4  51 o 54.55880 0.9360653 30.25079       0.9830317 28.28487       1.598976  31.44533       1.246407  -2.930824      1.872131  
1 1 1 -7  4  52 o 32.07846 0.7373090 10.25451       0.4717488 9.373185       0.6420116 11.28881       0.6955011 -2.981234      1.474618  
1 1 1 -7  4  53 f 55.75005 0.7997975 31.13782       0.8915226 30.16918       1.246223  32.15318       1.275908  -1.776302      1.599595  
1 1 1 -7  4  54 f 25.47619 0.8429940 6.534348       0.4277576 5.988713       0.6139702 7.049026       0.5962980 -2.083014      1.685988  
1 1 1 -7  4  55 o 23.75494 0.9225615 5.429308       0.4219901 8.051882       0.6684954 3.691964       0.5440985 9.160486       1.845123  
1 1 1 -7  4  56 o 44.67922 0.7804033 20.03160       0.6968026 19.26952       0.9907228 20.77761       0.9802166 -1.688988      1.560807  
1 1 1 -7  4  57 o 74.63765 1.368431  56.10960       2.036981  57.72406       3.012526  54.74972       2.764838  1.932915       2.736863  
1 1 1 -7  4  58 o 13.94617 4.222601  0.000000       0.000000  ?              ?         2.058007       1.278597  ?              ?         
1 1 1 -7  4  59 o 21.28088 2.434784  5.005998       0.9365689 5.610705       1.175256  3.953703       1.550346  4.402283       4.869568  
1 1 1 -7  4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  5  1  o 431.7551 6.341318  1860.187       54.54848  1779.536       73.40639  1959.641       81.51569  -20.75128      12.68264  
1 1 1 -7  5  2  o 274.6028 4.043261  753.5596       22.17442  777.0261       32.40600  732.8977       30.40801  8.017944       8.086522  
1 1 1 -7  5  3  o 570.4545 8.387554  3207.495       94.12576  2957.029       120.8065  3594.454       150.1581  -55.34827      16.77511  
1 1 1 -7  5  4  o 348.9649 4.404400  1230.809       29.51788  1176.463       48.57871  1262.620       37.16586  -12.44876      8.808801  
1 1 1 -7  5  5  o 231.6980 2.422790  537.0179       11.22705  538.4992       15.91058  535.5488       15.84452  0.6363678      4.845581  
1 1 1 -7  5  6  o 387.4247 4.021861  1502.019       31.15761  1486.253       43.56507  1518.528       44.57948  -4.157196      8.043721  
1 1 1 -7  5  7  o 591.5107 6.756509  3362.296       75.32978  3938.389       135.0117  3101.886       90.77250  70.13538       13.51302  
1 1 1 -7  5  8  o 269.6064 2.810678  727.0881       15.15432  734.0581       21.59937  720.3307       21.26736  2.544067       5.621356  
1 1 1 -7  5  9  o 429.3087 4.463345  1838.570       38.20820  1767.699       51.69884  1923.872       56.71844  -18.14798      8.926690  
1 1 1 -7  5  10 o 297.7531 3.100637  886.6783       18.45767  898.5433       26.53165  875.5502       25.69465  3.856354       6.201274  
1 1 1 -7  5  11 f 347.6016 5.122804  1192.952       35.20005  1106.064       45.78930  1318.482       55.03778  -30.46664      10.24561  
1 1 1 -7  5  12 o 579.7458 6.536119  3362.379       74.80224  3408.449       115.8315  3329.422       97.97032  6.593140       13.07224  
1 1 1 -7  5  13 o 399.4185 4.156033  1596.836       33.19836  1600.446       47.20302  1593.303       46.70015  0.8901978      8.312065  
1 1 1 -7  5  14 o 142.3296 1.508848  202.5394       4.293930  200.0072       5.990226  205.2156       6.158331  -1.829224      3.017697  
1 1 1 -7  5  15 o 384.0039 3.985957  1475.831       30.61074  1467.551       43.01886  1484.323       43.56658  -2.179443      7.971914  
1 1 1 -7  5  16 o 568.6482 11.84474  0.000000       0.000000  ?              ?         3247.187       134.7098  ?              ?         
1 1 1 -7  5  17 f 131.3057 1.981014  172.3649       5.200496  169.2252       7.237248  175.7169       7.477878  -2.470871      3.962029  
1 1 1 -7  5  18 o 326.6538 4.802197  1067.520       31.34082  1042.504       43.16814  1095.403       45.57495  -8.067810      9.604394  
1 1 1 -7  5  19 o 391.3792 5.751666  1530.179       44.87760  1470.352       60.64247  1602.612       66.72579  -16.79929      11.50333  
1 1 1 -7  5  20 o 547.6136 7.013253  2990.005       71.65395  2952.184       86.63824  3071.874       127.4682  -10.05688      14.02651  
1 1 1 -7  5  21 o 419.2587 4.352511  1761.074       36.49653  1762.438       51.65736  1759.716       51.57053  0.3232727      8.705023  
1 1 1 -7  5  22 o 141.3603 1.504762  198.7072       4.233415  188.8153       5.661032  211.2577       6.376534  -7.933685      3.009523  
1 1 1 -7  5  23 o 112.2902 1.215148  126.0004       2.727040  123.2482       3.771708  129.0152       3.947530  -2.566940      2.430296  
1 1 1 -7  5  24 o 107.3268 1.168355  113.5681       2.479195  125.8205       3.874557  105.0738       3.226073  9.661224       2.336709  
1 1 1 -7  5  25 o 153.0216 1.622989  234.1198       4.964581  238.4353       7.157493  230.1186       6.891985  2.714951       3.245979  
1 1 1 -7  5  26 f 15.12678 0.7245560 2.292323       0.2173756 2.687303       0.3123976 1.921572       0.3026644 2.530996       1.449112  
1 1 1 -7  5  27 o 256.5224 2.677191  658.6992       13.72821  670.4957       19.79500  647.7678       19.05536  4.414474       5.354382  
1 1 1 -7  5  28 o 132.4592 1.416914  175.2865       3.749307  170.7064       5.155300  180.4289       5.462684  -3.666534      2.833829  
1 1 1 -7  5  29 o 106.9482 1.170567  113.9719       2.496363  119.9312       3.706937  109.0266       3.376881  5.095062       2.341133  
1 1 1 -7  5  30 o 41.73259 0.7314305 16.49968       0.5924423 21.52659       0.9957106 13.74476       0.7371162 9.321804       1.462861  
1 1 1 -7  5  31 o 202.5768 2.127299  409.5360       8.595162  427.9238       12.73239  394.1408       11.65034  8.317062       4.254599  
1 1 1 -7  5  32 o 146.6899 1.562679  215.3129       4.584297  213.9554       6.439882  216.7074       6.527353  -0.9366608     3.125359  
1 1 1 -7  5  33 f 132.6025 1.426068  175.0753       3.766953  185.3230       5.637874  166.8112       5.062936  6.971191       2.852137  
1 1 1 -7  5  34 o 191.2028 2.013453  366.0833       7.699470  365.0772       10.85776  367.1008       10.91990  -0.5276794     4.026906  
1 1 1 -7  5  35 o 200.1895 2.106072  401.4706       8.432223  402.2595       11.94929  400.6881       11.90079  0.3910065      4.212144  
1 1 1 -7  5  36 o 81.97878 0.9458930 67.13663       1.549152  65.30592       2.131248  69.18740       2.255710  -2.365471      1.891786  
1 1 1 -7  5  37 o 77.32027 0.9041985 59.68893       1.396352  62.07316       2.040773  57.59012       1.914728  2.896835       1.808397  
1 1 1 -7  5  38 o 122.5996 1.329835  150.0128       3.252551  156.7749       4.809078  144.3118       4.415665  5.070900       2.659669  
1 1 1 -7  5  39 o 42.78831 0.6616074 18.30443       0.5660242 18.80337       0.8117213 17.83221       0.7896916 1.134441       1.323215  
1 1 1 -7  5  40 o 33.35596 0.6423335 11.10451       0.4278387 12.01504       0.6205674 10.27965       0.5906510 2.600685       1.284667  
1 1 1 -7  5  41 o 36.71198 0.6453553 13.44929       0.4732429 12.74460       0.6502438 14.24294       0.6900629 -2.039749      1.290711  
1 1 1 -7  5  42 o 53.17760 0.7240734 28.10919       0.7672307 30.53069       1.146940  26.14806       1.032169  4.117104       1.448147  
1 1 1 -7  5  43 o 44.87122 0.6823172 20.07266       0.6111847 18.85360       0.8345686 21.48268       0.8975560 -2.927570      1.364634  
1 1 1 -7  5  44 o 57.84023 1.098162  33.40473       1.267851  35.24784       1.866180  31.82477       1.727825  2.951153       2.196324  
1 1 1 -7  5  45 o 79.52835 0.9387806 63.33388       1.493173  63.06328       2.104962  63.60796       2.118434  -0.3417435     1.877561  
1 1 1 -7  5  46 f 137.6172 1.490126  190.1562       4.101319  190.4873       5.810716  189.8275       5.789624  0.2376862      2.980251  
1 1 1 -7  5  47 f 11.14879 1.337177  1.286779       0.2771828 2.112486       0.4146257 0.6195878      0.3727079 6.741912       2.674355  
1 1 1 -7  5  48 f 72.95499 0.8924561 53.31081       1.302030  53.90523       1.858755  52.73816       1.824422  0.7974167      1.784912  
1 1 1 -7  5  49 o 40.63767 0.7184996 16.53911       0.5838309 16.20710       0.8281057 16.86724       0.8232389 -0.8125343     1.436999  
1 1 1 -7  5  50 f 51.00429 0.7592105 26.03197       0.7738435 26.67479       1.121631  25.44804       1.069024  1.198505       1.518421  
1 1 1 -7  5  51 o 35.16914 0.8970565 11.61539       0.5904574 10.34722       0.7035001 14.63806       1.086104  -6.063007      1.794113  
1 1 1 -7  5  52 o 55.91666 1.109385  31.25054       1.237053  29.55091       1.673203  33.29964       1.837188  -3.330261      2.218771  
1 1 1 -7  5  53 o 25.42522 1.115927  6.499779       0.5664847 6.395774       0.8217788 6.593950       0.7819641 -0.3955917     2.231854  
1 1 1 -7  5  54 o 42.97903 1.347544  17.69479       1.037846  20.66590       2.037240  16.65345       1.206086  4.514896       2.695088  
1 1 1 -7  5  55 o 40.82701 1.182161  16.82884       0.9601057 16.03947       1.412964  17.50593       1.308620  -1.813950      2.364323  
1 1 1 -7  5  56 o 30.20511 1.307245  9.257560       0.7791341 8.780873       1.185969  9.619515       1.033436  -1.420702      2.614489  
1 1 1 -7  5  57 o 26.34282 0.9351731 6.839560       0.4833716 7.623471       0.7774535 6.345584       0.6171547 2.399052       1.870346  
1 1 1 -7  5  58 f 20.07974 1.579762  4.055966       0.6127664 3.977260       0.7691538 4.192710       1.013831  -0.4660797     3.159524  
1 1 1 -7  5  59 o 33.88404 2.204182  11.63854       1.493732  11.63854       1.493732  ?              ?         ?              ?         
1 1 1 -7  5  60 o 29.37905 2.471458  8.797727       1.452182  8.797727       1.452182  ?              ?         ?              ?         
1 1 1 -7  5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  5  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  6  1  o 330.8092 3.439841  1094.276       22.74461  1115.060       32.85851  1075.157       31.51501  6.022675       6.879681  
1 1 1 -7  6  2  o 249.3771 2.601399  622.1003       12.97451  624.4899       18.38622  619.7302       18.31145  0.9539948      5.202798  
1 1 1 -7  6  3  o 573.4298 8.394536  3241.455       94.71858  2995.346       121.6669  3620.105       150.9135  -54.02380      16.78907  
1 1 1 -7  6  4  o 485.9351 7.133375  2367.471       69.32475  2378.456       98.53093  2356.702       97.55634  2.225647       14.26675  
1 1 1 -7  6  5  o 484.5684 7.128352  2353.640       69.06636  2328.985       96.41566  2379.626       98.98414  -5.191925      14.25670  
1 1 1 -7  6  6  f 520.5059 7.648736  2716.945       79.61158  2691.422       111.4090  2743.578       113.8048  -4.976746      15.29747  
1 1 1 -7  6  7  o 594.8477 8.743512  3523.463       103.2954  3323.430       136.7686  3789.071       157.5995  -38.80695      17.48702  
1 1 1 -7  6  8  o 224.4091 3.008377  506.4763       13.39514  479.9178       19.93832  528.3251       18.08427  -10.79573      6.016755  
1 1 1 -7  6  9  o 147.1108 2.209452  216.4090       6.499611  213.0529       9.091207  219.9179       9.295885  -2.332443      4.418904  
1 1 1 -7  6  10 o 576.6245 6.500021  3328.281       74.07099  3360.073       114.1197  3305.137       97.36781  4.556274       13.00004  
1 1 1 -7  6  11 o 262.5996 2.734802  688.8749       14.34525  671.1796       19.70788  708.8159       20.92092  -7.159637      5.469605  
1 1 1 -7  6  12 o 583.5552 6.611672  3371.190       75.11046  3594.698       122.7345  3237.364       94.97108  30.25684       13.22334  
1 1 1 -7  6  13 o 554.7845 7.090779  3109.644       74.68431  3012.135       126.4837  3161.837       92.53844  -13.96332      14.18156  
1 1 1 -7  6  14 o 248.9039 3.668658  617.0335       18.18622  651.1907       27.24987  589.6012       24.42052  12.35097       7.337316  
1 1 1 -7  6  15 o 589.3224 8.704380  3474.066       102.2655  3312.638       138.1008  3670.065       152.1714  -30.06128      17.40876  
1 1 1 -7  6  16 o 576.4263 8.478758  3335.896       97.68740  3407.613       141.1610  3269.986       135.3254  11.82239       16.95752  
1 1 1 -7  6  17 o 414.4239 5.263758  1731.807       41.64206  1758.316       51.89505  1683.875       69.78161  9.218140       10.52752  
1 1 1 -7  6  18 o 358.1165 3.726504  1280.691       26.63645  1236.827       36.30843  1331.809       39.19636  -13.23129      7.453008  
1 1 1 -7  6  19 o 276.1251 2.883488  761.7819       15.89993  742.2253       21.78697  784.0660       23.25671  -7.563385      5.766977  
1 1 1 -7  6  20 o 379.9977 3.945042  1445.708       29.97348  1464.795       43.00980  1427.684       41.79413  4.866516       7.890083  
1 1 1 -7  6  21 f 196.3465 2.059850  385.4359       8.084015  378.4999       11.20290  392.9714       11.67688  -3.681335      4.119699  
1 1 1 -7  6  22 o 330.3933 3.434935  1093.045       22.69405  1103.521       32.43750  1083.002       31.76164  3.094727       6.869871  
1 1 1 -7  6  23 o 54.98837 0.6942623 29.93688       0.7586712 32.90403       1.155284  27.68706       1.005989  4.743183       1.388525  
1 1 1 -7  6  24 o 296.7010 3.089910  881.6609       18.33557  881.1747       25.91506  882.1485       25.94580  -0.1635742     6.179819  
1 1 1 -7  6  25 o 127.0788 1.363814  160.4459       3.446631  151.8833       4.590890  171.5058       5.217574  -7.715057      2.727628  
1 1 1 -7  6  26 o 386.7375 4.026410  1499.742       31.12390  1471.756       43.11600  1530.193       44.97449  -7.498688      8.052819  
1 1 1 -7  6  27 o 146.9929 1.562411  216.1626       4.592783  217.9521       6.552320  214.4342       6.439502  1.195206       3.124822  
1 1 1 -7  6  28 o 121.6831 1.311376  147.3077       3.177129  156.4136       4.772434  140.0600       4.257761  6.714493       2.622752  
1 1 1 -7  6  29 o 92.66679 1.036466  85.80643       1.919325  83.89414       2.650305  87.91538       2.783244  -2.168587      2.072932  
1 1 1 -7  6  30 o 196.3444 2.064061  385.6521       8.100368  393.4778       11.70354  378.4560       11.22287  3.816422       4.128122  
1 1 1 -7  6  31 f 66.28485 0.8010356 43.94392       1.061898  44.01526       1.508167  43.87379       1.495417  0.1066208      1.602071  
1 1 1 -7  6  32 o 134.6046 1.443462  179.9034       3.861463  169.6900       5.127217  193.2887       5.869632  -8.754547      2.886925  
1 1 1 -7  6  33 f 112.4985 1.228055  126.5361       2.761569  124.2118       3.829926  129.0531       3.985623  -2.149529      2.456111  
1 1 1 -7  6  34 o 115.8060 1.260978  133.9432       2.916268  138.4975       4.265857  129.9473       3.995825  3.687195       2.521957  
1 1 1 -7  6  35 o 127.6532 1.377261  162.4621       3.505281  170.6990       5.210256  155.6513       4.737790  5.883942       2.754522  
1 1 1 -7  6  36 f 146.3039 1.565314  213.9542       4.573980  220.6269       6.680904  208.0672       6.275301  4.281540       3.130628  
1 1 1 -7  6  37 o 82.08472 0.9475790 66.95975       1.547903  71.84868       2.334344  63.12310       2.067920  5.309639       1.895158  
1 1 1 -7  6  38 o 45.46945 0.6724486 20.67681       0.6114523 21.00889       0.8722962 20.35601       0.8573460 0.7176857      1.344897  
1 1 1 -7  6  39 f 43.20804 0.6851207 18.27079       0.5854884 15.81610       0.7634921 21.77506       0.9122326 -6.892616      1.370241  
1 1 1 -7  6  40 o 137.1499 1.475829  188.4858       4.048087  187.7592       5.700176  189.2251       5.749867  -0.5319366     2.951657  
1 1 1 -7  6  41 o 117.1127 1.280380  137.3164       2.997481  140.0100       4.322046  134.8201       4.160713  2.207726       2.560760  
1 1 1 -7  6  42 o 56.69581 0.7485840 32.14933       0.8485615 32.86926       1.219009  31.47252       1.181944  1.230526       1.497168  
1 1 1 -7  6  43 o 38.36273 0.6746976 14.63535       0.5158696 16.40529       0.7620026 13.13779       0.7009189 4.256672       1.349395  
1 1 1 -7  6  44 o 123.5228 1.918086  152.9721       4.728076  146.9183       6.432709  160.0855       6.972935  -5.274269      3.836171  
1 1 1 -7  6  45 o 50.99219 0.7354406 26.02260       0.7499010 25.34387       1.055124  26.71539       1.066000  -1.344376      1.470881  
1 1 1 -7  6  46 o 28.98116 0.7106115 8.224377       0.4072842 10.04449       0.6297584 6.915742       0.5339904 5.393209       1.421223  
1 1 1 -7  6  47 o 61.60090 0.8087513 37.98737       0.9960939 38.36669       1.429198  37.62908       1.389039  0.5963707      1.617503  
1 1 1 -7  6  48 o 64.59271 0.8374193 41.65550       1.079329  43.71753       1.593512  39.90762       1.467112  2.940407       1.674839  
1 1 1 -7  6  49 f 17.40646 0.9682702 3.070308       0.3308938 2.386642       0.4659434 3.765907       0.4699920 -3.961577      1.936540  
1 1 1 -7  6  50 f 53.83065 0.7754488 29.02968       0.8347896 28.96025       1.187423  29.09756       1.173836  -0.1286392     1.550898  
1 1 1 -7  6  51 o 46.69234 0.7561391 21.84175       0.7057930 21.82569       1.013437  21.85687       0.9835193 -0.3592300E-01 1.512278  
1 1 1 -7  6  52 o 9.157023 1.956497  0.9235282      0.3890722 0.2723328      0.8031927 1.123180       0.4447339 -2.398477      3.912993  
1 1 1 -7  6  53 o 32.49274 1.173863  10.26875       0.7503576 12.95915       1.191688  8.501366       0.9658710 6.823933       2.347725  
1 1 1 -7  6  54 o 41.63551 0.9712225 17.65818       0.7664728 18.25056       0.9525385 16.57014       1.290942  2.063744       1.942445  
1 1 1 -7  6  55 o 57.80160 1.018027  33.54326       1.124166  33.51363       1.396561  33.59779       1.894646  0.1663208E-02  2.036055  
1 1 1 -7  6  56 f 9.149570 2.066677  0.7647496      0.4671735 1.306492       0.6562513 0.2081216      0.6652061 3.928300       4.133353  
1 1 1 -7  6  57 o 71.65973 1.306885  51.68457       1.869760  50.12201       2.555735  53.48401       2.742625  -2.302681      2.613771  
1 1 1 -7  6  58 o 12.75405 2.329365  1.987216       0.6316453 2.503420       0.7249213 0.3595807      1.287238  5.913527       4.658730  
1 1 1 -7  6  59 f 21.26889 1.971132  4.573721       0.8384759 4.573721       0.8384759 ?              ?         ?              ?         
1 1 1 -7  6  60 o 19.35442 2.965411  3.849524       1.147876  3.849524       1.147876  ?              ?         ?              ?         
1 1 1 -7  6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  6  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  7  1  o 215.6496 3.184541  462.6641       13.66726  440.4868       18.27765  490.7916       20.58412  -11.64972      6.369081  
1 1 1 -7  7  2  o 303.4295 4.475856  921.4774       27.15907  935.0449       38.76397  908.3960       38.06306  4.385406       8.951712  
1 1 1 -7  7  3  o 277.8555 4.086778  772.3143       22.70023  785.3757       32.70014  760.1651       31.53736  4.527740       8.173556  
1 1 1 -7  7  4  o 266.2859 3.916996  708.8363       20.84018  727.2551       30.28940  692.2787       28.71826  6.555908       7.833992  
1 1 1 -7  7  5  o 481.3322 7.070766  2322.669       68.06010  2303.407       95.39854  2342.635       97.12778  -4.051971      14.14153  
1 1 1 -7  7  6  o 340.3866 3.535630  1159.011       24.06182  1174.187       34.55368  1144.725       33.52667  4.320770       7.071260  
1 1 1 -7  7  7  o 229.0058 2.898873  530.9829       12.81108  550.2072       16.28308  499.7480       20.75534  11.04156       5.797746  
1 1 1 -7  7  8  o 134.4716 2.036901  180.8039       5.476533  178.3707       7.635718  183.3816       7.859087  -1.862320      4.073803  
1 1 1 -7  7  9  o 485.2233 10.08509  0.000000       0.000000  ?              ?         2361.048       97.87038  ?              ?         
1 1 1 -7  7  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  7  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  7  12 o 481.1581 9.982333  0.000000       0.000000  ?              ?         2321.758       96.06160  ?              ?         
1 1 1 -7  7  13 o 239.6130 3.044792  578.0196       13.92659  586.6426       17.35162  562.4081       23.34705  5.095078       6.089584  
1 1 1 -7  7  14 o 512.8085 6.455344  2664.532       63.71079  2744.307       80.54272  2531.170       104.1380  21.11951       12.91069  
1 1 1 -7  7  15 f 133.5819 2.017361  178.1194       5.380378  172.5431       7.354543  184.5403       7.891846  -4.487930      4.034722  
1 1 1 -7  7  16 f 567.7109 5.919955  3229.875       67.19016  3180.911       93.46810  3282.234       96.65443  -8.874084      11.83991  
1 1 1 -7  7  17 o 104.7984 1.141132  108.6064       2.370034  118.7112       3.660156  101.3106       3.110093  8.300125       2.282264  
1 1 1 -7  7  18 o 213.9445 2.237924  457.8016       9.573673  452.4047       13.37005  463.4806       13.71498  -2.586075      4.475849  
1 1 1 -7  7  19 o 77.71384 0.8835884 60.11734       1.368567  63.66252       2.041076  57.22155       1.844685  4.143417       1.767177  
1 1 1 -7  7  20 o 164.7958 1.740150  270.2450       5.710167  286.2544       8.570427  257.4653       7.657296  8.728455       3.480300  
1 1 1 -7  7  21 f 184.1602 1.934911  339.0464       7.121994  332.4229       9.860205  346.2714       10.29810  -3.756104      3.869822  
1 1 1 -7  7  22 o 172.8834 1.822120  297.1465       6.266783  316.5826       9.464908  281.9751       8.362298  9.998779       3.644241  
1 1 1 -7  7  23 o 205.7451 2.156744  423.5565       8.873532  427.3400       12.67652  419.9214       12.42538  1.799835       4.313487  
1 1 1 -7  7  24 o 65.02052 0.7834246 41.49666       1.005394  47.07659       1.585467  37.74369       1.300260  7.175457       1.566849  
1 1 1 -7  7  25 o 149.2973 1.585115  222.5803       4.725507  215.8112       6.467113  230.3346       6.921784  -4.858597      3.170230  
1 1 1 -7  7  26 o 203.2820 2.132293  412.8104       8.653855  400.1678       11.82581  427.3852       12.69742  -6.679520      4.264586  
1 1 1 -7  7  27 o 116.2509 1.257803  135.1884       2.924380  135.5087       4.147701  134.8718       4.123797  0.2737045      2.515606  
1 1 1 -7  7  28 o 140.1241 1.498005  196.3441       4.196364  193.0685       5.833496  199.8570       6.041056  -2.419846      2.996010  
1 1 1 -7  7  29 o 90.81919 1.023328  81.34823       1.838235  90.08781       2.867609  75.25171       2.395056  8.163635       2.046656  
1 1 1 -7  7  30 o 164.2715 1.739779  270.0375       5.715362  268.0164       8.015881  272.1276       8.151304  -1.249146      3.479558  
1 1 1 -7  7  31 o 184.8480 1.947235  342.0610       7.198779  341.2076       10.15397  342.9234       10.20746  -0.4630432     3.894469  
1 1 1 -7  7  32 o 111.5614 1.218089  124.3577       2.715098  121.1643       3.739904  127.9165       3.947998  -3.023376      2.436178  
1 1 1 -7  7  33 o 252.6998 2.644569  640.0491       13.36459  635.2664       18.75919  644.9787       19.04482  -1.912506      5.289137  
1 1 1 -7  7  34 o 164.4807 1.744183  270.8327       5.736894  268.4265       8.033648  273.3366       8.195148  -1.488525      3.488366  
1 1 1 -7  7  35 o 35.71585 0.6525534 12.70003       0.4650343 11.69468       0.6342185 13.86906       0.6839040 -3.043476      1.305107  
1 1 1 -7  7  36 o 53.61967 0.7295752 28.75448       0.7822646 28.99645       1.118192  28.52255       1.094758  0.4415855      1.459150  
1 1 1 -7  7  37 o 191.5181 2.022138  367.4119       7.739323  359.5254       10.69189  376.0922       11.21710  -4.300858      4.044275  
1 1 1 -7  7  38 o 95.05613 1.068171  90.35888       2.029528  88.30626       2.812072  92.59039       2.932060  -2.250000      2.136341  
1 1 1 -7  7  39 f 107.7420 1.189495  116.1864       2.562410  114.3776       3.571362  118.1054       3.678609  -1.725838      2.378989  
1 1 1 -7  7  40 o 66.03418 0.8200639 43.47491       1.080588  41.35891       1.468886  45.97076       1.595291  -3.488365      1.640128  
1 1 1 -7  7  41 f 103.7866 1.154528  107.7388       2.393721  110.9382       3.487477  104.8889       3.291483  2.904495       2.309056  
1 1 1 -7  7  42 o 101.0484 1.131093  101.9721       2.280459  106.5471       3.367942  98.09880       3.098938  4.166214       2.262186  
1 1 1 -7  7  43 o 14.40379 1.342825  2.080579       0.3864526 2.090671       0.5354672 2.069607       0.5583006 0.7469368E-01  2.685650  
1 1 1 -7  7  44 o 74.50458 0.9006444 55.46449       1.340334  53.38245       1.839577  57.82056       1.956894  -2.972603      1.801289  
1 1 1 -7  7  45 o 46.17071 0.7154352 21.27600       0.6596587 19.87235       0.9069061 22.85295       0.9612615 -3.225376      1.430870  
1 1 1 -7  7  46 o 35.13720 0.6914730 12.34671       0.4855324 12.62229       0.7037738 12.09642       0.6707118 0.7467003      1.382946  
1 1 1 -7  7  47 o 86.71339 1.012516  75.10587       1.751342  78.72268       2.592829  72.07118       2.375022  3.818336       2.025033  
1 1 1 -7  7  48 f 26.90007 0.7606707 7.252845       0.4087749 7.080243       0.5879772 7.414312       0.5686949 -0.6222057     1.521341  
1 1 1 -7  7  49 o 51.99275 0.8368343 26.63700       0.8449781 28.91790       1.394533  25.31379       1.062165  3.438465       1.673669  
1 1 1 -7  7  50 o 38.65823 1.071881  14.88534       0.8234606 15.94196       1.251780  14.07928       1.093334  2.391159       2.143763  
1 1 1 -7  7  51 o 44.43814 1.082007  19.79725       0.9586611 20.14903       1.418032  19.50113       1.301017  0.7142372      2.164014  
1 1 1 -7  7  52 f 12.05304 1.499492  1.468895       0.3514641 1.745721       0.5296877 1.251148       0.4697782 2.222337       2.998984  
1 1 1 -7  7  53 o 15.00253 1.242931  2.350609       0.3562547 1.602571       0.5148067 3.038032       0.4935083 -4.787509      2.485862  
1 1 1 -7  7  54 o 40.32096 0.7661024 16.29265       0.6172636 16.40093       0.8930569 16.19361       0.8541290 0.2527428      1.532205  
1 1 1 -7  7  55 o 74.88881 0.9465339 56.30016       1.417646  55.70027       1.995932  56.91090       2.013897  -0.8056488     1.893068  
1 1 1 -7  7  56 o 40.84596 0.7884530 16.67537       0.6420654 17.45722       0.9543402 16.02883       0.8678455 1.736557       1.576906  
1 1 1 -7  7  57 o 32.31808 0.9651509 10.48349       0.6233670 10.74389       0.9029583 10.24638       0.8616402 0.7625980      1.930302  
1 1 1 -7  7  58 o 17.72578 1.526776  3.191202       0.5361496 3.755704       0.7685276 2.655973       0.7483357 3.096085       3.053552  
1 1 1 -7  7  59 o 27.84880 1.729177  7.462650       0.8210358 7.095690       0.9314158 8.741462       1.738751  -2.665854      3.458354  
1 1 1 -7  7  60 o 18.97067 3.069500  3.704573       1.164609  3.704573       1.164609  ?              ?         ?              ?         
1 1 1 -7  7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  8  1  o 227.8006 2.381787  518.7205       10.84481  529.2637       15.66843  509.0249       15.02552  4.439194       4.763573  
1 1 1 -7  8  2  o 173.6245 1.826222  301.3351       6.338282  296.3586       8.797074  306.7072       9.140134  -2.978912      3.652445  
1 1 1 -7  8  3  o 103.9404 1.129462  107.1314       2.331462  100.8524       3.085880  115.4825       3.558838  -7.036659      2.258923  
1 1 1 -7  8  4  o 209.5923 2.194403  438.0386       9.173029  422.2260       12.43270  456.9309       13.58961  -8.274139      4.388806  
1 1 1 -7  8  5  o 167.1610 1.766644  276.1243       5.842613  258.2066       7.625975  301.5888       9.091209  -12.97107      3.533289  
1 1 1 -7  8  6  f 169.0719 2.189038  283.6254       6.917550  292.3731       12.27939  279.5587       8.372519  3.772964       4.378075  
1 1 1 -7  8  7  o 508.6102 7.464448  2592.788       75.87479  2648.445       109.8278  2541.969       104.9450  10.39499       14.92890  
1 1 1 -7  8  8  o 185.1588 2.752459  330.2818       9.868587  393.2694       16.64537  296.1417       12.25460  26.20401       5.504918  
1 1 1 -7  8  9  o 316.4359 4.651814  1002.556       29.43996  1001.719       41.58541  1003.396       41.68354  -0.2639160     9.303629  
1 1 1 -7  8  10 o 83.55746 1.155708  66.93506       1.736395  63.52271       2.024697  76.42335       3.376194  -7.716423      2.311415  
1 1 1 -7  8  11 o 266.7775 3.390164  715.7991       17.21285  724.1029       21.35407  700.3946       29.08450  4.499146       6.780328  
1 1 1 -7  8  12 f 241.1781 3.565979  582.0425       17.19850  588.1895       24.56320  576.1309       24.08844  2.496063       7.131958  
1 1 1 -7  8  13 o 119.8497 1.824746  143.6674       4.373775  143.0762       6.157405  144.2695       6.213888  -0.4975662     3.649491  
1 1 1 -7  8  14 o 166.1855 2.490024  276.2392       8.274773  273.0009       11.57620  279.6225       11.83260  -1.990601      4.980049  
1 1 1 -7  8  15 o 341.0861 5.016569  1165.361       34.21305  1180.068       49.04566  1151.420       47.74949  4.181366       10.03314  
1 1 1 -7  8  16 o 176.9448 2.260819  316.7264       7.709237  299.7392       12.55144  327.0172       9.769145  -7.726700      4.521637  
1 1 1 -7  8  17 o 79.22464 0.9013936 62.45582       1.423259  59.21865       1.917725  66.42518       2.123561  -4.547546      1.802787  
1 1 1 -7  8  18 o 346.2350 3.598533  1200.285       24.91694  1191.357       34.98348  1209.478       35.49791  -2.610016      7.197066  
1 1 1 -7  8  19 o 129.6016 1.386433  167.2560       3.580691  159.7680       4.823710  176.4460       5.343867  -6.431351      2.772867  
1 1 1 -7  8  20 o 129.8150 1.388506  168.5353       3.604470  170.0572       5.149242  167.0731       5.047267  1.148712       2.777012  
1 1 1 -7  8  21 o 196.9732 2.066247  387.4909       8.126846  400.5738       11.90362  376.0691       11.12231  6.212051       4.132495  
1 1 1 -7  8  22 f 261.8687 2.732095  686.0034       14.29847  672.6116       19.77390  700.6790       20.70006  -5.344696      5.464190  
1 1 1 -7  8  23 o 121.3388 1.307338  147.2271       3.171843  145.1453       4.426722  149.4237       4.547023  -1.762001      2.614677  
1 1 1 -7  8  24 o 153.1344 1.623763  234.6291       4.973053  235.0018       7.046332  234.2592       7.019662  0.2421417      3.247526  
1 1 1 -7  8  25 o 93.75198 1.040150  87.36737       1.940688  93.24078       2.924867  82.74788       2.593931  5.593323       2.080300  
1 1 1 -7  8  26 o 118.2331 1.277138  139.7111       3.017661  142.9895       4.372069  136.7283       4.170310  2.645813       2.554276  
1 1 1 -7  8  27 f 68.76335 0.8253234 46.10153       1.115470  53.71105       1.791097  41.27999       1.425716  9.036613       1.650647  
1 1 1 -7  8  28 o 79.68391 0.9201809 63.26774       1.462630  66.73900       2.166039  60.35835       1.983002  4.002243       1.840362  
1 1 1 -7  8  29 o 121.6145 1.315202  147.5159       3.190964  154.0923       4.717196  141.9678       4.332692  4.980103       2.630404  
1 1 1 -7  8  30 o 75.82509 0.8835887 57.04441       1.331954  61.62015       2.021929  53.53642       1.770372  5.328270       1.767177  
1 1 1 -7  8  31 o 25.93141 0.6645980 6.732343       0.3441969 6.334042       0.4874949 7.128277       0.4860443 -1.531425      1.329196  
1 1 1 -7  8  32 o 197.3687 2.077726  389.7180       8.194674  381.1863       11.31457  399.1308       11.88445  -4.531906      4.155453  
1 1 1 -7  8  33 f 109.9552 1.205888  120.9616       2.651694  121.6264       3.776067  120.3147       3.724587  0.5956192      2.411777  
1 1 1 -7  8  34 o 212.5956 2.233860  452.9655       9.497946  451.1314       13.37609  454.8305       13.48887  -0.8659973     4.467721  
1 1 1 -7  8  35 o 101.4617 1.128148  102.7334       2.284654  98.89711       3.113523  107.2086       3.362838  -4.090843      2.256297  
1 1 1 -7  8  36 o 45.64333 0.6893539 20.65447       0.6264901 18.66166       0.8411632 23.13698       0.9388450 -4.901016      1.378708  
1 1 1 -7  8  37 o 67.10874 0.8236512 44.78353       1.101328  42.02538       1.481030  48.19538       1.647216  -4.593582      1.647302  
1 1 1 -7  8  38 o 54.94228 0.7365242 30.18025       0.8088387 30.75953       1.168292  29.64699       1.120919  1.011395       1.473048  
1 1 1 -7  8  39 o 75.71739 0.8970510 57.31434       1.357267  58.77252       1.969420  55.99525       1.873128  1.831039       1.794102  
1 1 1 -7  8  40 o 45.09313 0.6823866 20.34508       0.6153570 19.97558       0.8688723 20.71693       0.8716267 -0.8219452     1.364773  
1 1 1 -7  8  41 o 117.2394 1.285200  137.6188       3.011523  134.5791       4.168074  140.9389       4.356012  -2.701393      2.570400  
1 1 1 -7  8  42 o 93.65185 1.064377  87.78188       1.992688  85.89010       2.766967  89.82025       2.872147  -2.092804      2.128754  
1 1 1 -7  8  43 o 103.5270 1.161584  106.9386       2.396864  112.7304       3.572017  102.1950       3.232683  5.067085       2.323167  
1 1 1 -7  8  44 o 40.08160 0.6913821 16.03937       0.5534008 14.88963       0.7635341 17.31176       0.8032275 -3.019920      1.382764  
1 1 1 -7  8  45 o 62.95131 0.8128594 39.62202       1.022306  40.86572       1.488235  38.51083       1.406723  1.865856       1.625719  
1 1 1 -7  8  46 o 54.77168 0.7652783 29.97860       0.8371544 31.05913       1.223486  29.02738       1.147951  1.850643       1.530557  
1 1 1 -7  8  47 o 44.03444 0.9083664 19.28356       0.7321073 19.78447       1.348245  19.07410       0.8718389 0.7716827      1.816733  
1 1 1 -7  8  48 o 44.21442 1.048322  19.30764       0.9185039 21.82343       1.421652  17.50504       1.203383  4.862556       2.096645  
1 1 1 -7  8  49 o 45.55131 0.9143476 20.83410       0.7915194 20.90979       0.9784309 20.69075       1.346459  0.2749252      1.828695  
1 1 1 -7  8  50 o 70.83246 0.8934146 50.29898       1.265611  50.00573       1.793730  50.58971       1.785984  -0.4129944     1.786829  
1 1 1 -7  8  51 o 45.18056 0.7536045 20.39392       0.6793565 21.27199       1.003003  19.64964       0.9234320 1.788105       1.507209  
1 1 1 -7  8  52 o 24.51195 0.8720568 6.079701       0.4234875 5.264979       0.6101246 6.837118       0.5882763 -3.209400      1.744114  
1 1 1 -7  8  53 o 48.36365 0.7738621 23.36720       0.7468799 24.59572       1.101894  22.32307       1.015841  2.340267       1.547724  
1 1 1 -7  8  54 o 24.50189 0.8712170 6.008324       0.4264051 6.412189       0.6194857 5.644698       0.5878156 1.562141       1.742434  
1 1 1 -7  8  55 o 22.58040 0.9406965 5.156152       0.4215946 4.723053       0.6183279 5.532420       0.5763344 -1.798689      1.881393  
1 1 1 -7  8  56 o 37.54311 0.8597948 14.15226       0.6433921 14.21444       0.8756306 14.07930       0.9485223 0.1910095      1.719590  
1 1 1 -7  8  57 o 34.76064 1.033183  12.19224       0.7113306 12.47596       0.9488837 11.82825       1.074786  0.9554901      2.066366  
1 1 1 -7  8  58 o 40.05657 1.083779  16.07384       0.8661041 14.76323       1.180425  17.60217       1.274715  -3.523293      2.167559  
1 1 1 -7  8  59 o 20.83477 1.445457  4.406085       0.5991597 3.857231       0.8403385 4.973620       0.8545190 -2.674597      2.890915  
1 1 1 -7  8  60 o 52.41282 2.330521  27.94649       2.442983  27.94649       2.442983  ?              ?         ?              ?         
1 1 1 -7  8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  9  1  o 242.2570 2.525457  586.3614       12.22278  602.2219       17.79045  572.1816       16.82145  6.194977       5.050913  
1 1 1 -7  9  2  o 521.1676 6.423506  2752.683       66.20974  2375.030       96.09402  3094.006       91.35506  -69.03995      12.84701  
1 1 1 -7  9  3  f 606.5132 8.912607  3695.251       108.1006  3667.495       151.5580  3723.996       154.2317  -4.608521      17.82521  
1 1 1 -7  9  4  o 420.3282 6.204470  1730.877       51.07008  1962.398       82.85104  1589.002       64.85695  44.18524       12.40894  
1 1 1 -7  9  5  o 609.0231 8.958601  3717.204       108.8783  3862.972       160.4791  3592.878       148.2065  21.94452       17.91720  
1 1 1 -7  9  6  o 265.9202 3.916939  705.3060       20.76656  678.4827       28.07586  737.7078       30.85753  -11.11279      7.833877  
1 1 1 -7  9  7  o 303.6221 3.836989  930.5591       22.33324  951.2494       28.02621  894.5635       36.96633  9.407928       7.673978  
1 1 1 -7  9  8  o 424.6439 4.407427  1805.338       37.43052  1815.364       53.19673  1795.508       52.67659  2.332855       8.814854  
1 1 1 -7  9  9  o 243.1387 2.540294  591.2726       12.35017  585.1353       17.25263  597.7230       17.68702  -2.586060      5.080589  
1 1 1 -7  9  10 o 227.0768 2.372616  515.4930       10.76901  506.4098       14.92812  525.3492       15.55029  -4.166718      4.745232  
1 1 1 -7  9  11 f 342.6758 3.566874  1170.642       24.35924  1228.749       36.31460  1123.110       32.84451  15.38248       7.133748  
1 1 1 -7  9  12 o 265.9581 2.776486  707.7202       14.76770  705.3643       20.75724  710.1349       21.01450  -0.8949890     5.552972  
1 1 1 -7  9  13 o 260.6762 2.717067  677.8412       14.12797  653.1564       19.16474  707.2237       20.90894  -10.35721      5.434134  
1 1 1 -7  9  14 o 357.6073 3.714863  1280.318       26.56897  1277.154       37.47181  1283.517       37.67741  -0.8874207     7.429726  
1 1 1 -7  9  15 o 154.2510 2.011304  236.7682       5.796417  234.5446       7.021331  241.5267       10.27118  -2.242233      4.022608  
1 1 1 -7  9  16 f 246.8145 3.648055  609.9395       18.00650  614.1862       25.65408  605.8158       25.28012  1.690811       7.296109  
1 1 1 -7  9  17 o 307.1556 4.524418  945.5684       27.79301  950.0378       39.50626  941.1885       39.10727  1.433380       9.048837  
1 1 1 -7  9  18 o 101.1317 1.574783  101.8074       3.173589  107.9650       4.739523  96.80267       4.272922  5.515450       3.149566  
1 1 1 -7  9  19 o 103.8465 1.611310  106.6109       3.316120  117.0401       5.123525  99.09237       4.350200  8.635406       3.222620  
1 1 1 -7  9  20 o 521.9802 6.694839  2722.468       65.06465  2799.342       116.1852  2687.344       78.53429  9.407776       13.38968  
1 1 1 -7  9  21 o 180.3348 1.898629  325.3074       6.846146  321.3386       9.557442  329.4899       9.811376  -2.257217      3.797257  
1 1 1 -7  9  22 o 195.4377 2.053249  380.8579       8.000527  399.2495       11.89060  365.6441       10.81468  8.582794       4.106498  
1 1 1 -7  9  23 o 137.8500 1.471559  190.0750       4.056378  188.1497       5.673381  192.0886       5.801949  -1.427292      2.943119  
1 1 1 -7  9  24 o 92.00839 1.028453  84.63454       1.891871  86.18279       2.719384  83.18233       2.633693  1.629829       2.056907  
1 1 1 -7  9  25 o 94.52417 1.047941  89.12270       1.976778  92.94995       2.914060  85.86021       2.690479  3.748398       2.095881  
1 1 1 -7  9  26 o 226.9417 2.375585  513.1074       10.73616  542.3817       16.09897  489.6605       14.40784  11.58340       4.751169  
1 1 1 -7  9  27 o 56.46733 0.7276305 31.86427       0.8212167 31.22099       1.137068  32.56566       1.187312  -1.190334      1.455261  
1 1 1 -7  9  28 o 169.5225 1.793540  287.6183       6.080873  288.1873       8.616834  287.0539       8.582577  0.3337402      3.587080  
1 1 1 -7  9  29 o 211.5966 2.220970  446.5452       9.366679  427.9033       12.63519  469.2884       13.95605  -9.749878      4.441939  
1 1 1 -7  9  30 f 192.2115 2.024055  369.4090       7.771884  360.0256       10.68695  379.9422       11.32280  -5.166931      4.048111  
1 1 1 -7  9  31 o 52.06711 0.7073931 26.74538       0.7307261 30.07694       1.123830  24.30528       0.9617930 5.541176       1.414786  
1 1 1 -7  9  32 o 156.9112 1.668588  246.2601       5.232663  251.7212       7.573550  241.2721       7.238054  3.322189       3.337177  
1 1 1 -7  9  33 o 169.3369 1.795014  285.6950       6.053559  272.2723       8.125506  302.4381       9.075028  -8.880508      3.590028  
1 1 1 -7  9  34 o 155.9752 1.661259  243.0820       5.173084  235.3393       7.067388  252.0181       7.592497  -5.331711      3.322518  
1 1 1 -7  9  35 o 141.5525 1.519041  200.6138       4.299891  202.4910       6.142105  198.8096       6.021614  1.296509       3.038081  
1 1 1 -7  9  36 o 154.7898 1.651587  240.0147       5.112440  241.8673       7.293233  238.2250       7.168543  1.171585       3.303174  
1 1 1 -7  9  37 o 128.7811 1.393960  166.0362       3.588950  168.6430       5.161385  163.5959       4.993844  1.952782       2.787920  
1 1 1 -7  9  38 o 61.19627 0.7822232 37.13061       0.9516211 40.53414       1.445799  34.52908       1.264032  4.901661       1.564446  
1 1 1 -7  9  39 o 21.58257 0.7586221 4.725775       0.3213083 3.699145       0.4565299 5.733454       0.4522967 -4.712967      1.517244  
1 1 1 -7  9  40 f 96.50232 1.086782  93.09758       2.094773  90.19008       2.874364  96.39098       3.059180  -3.203941      2.173564  
1 1 1 -7  9  41 o 101.9145 1.139640  104.0431       2.322885  103.5343       3.274663  104.5584       3.295549  -0.5013123     2.279280  
1 1 1 -7  9  42 o 77.57825 1.304072  59.84520       2.011914  64.84181       3.048831  55.99100       2.677709  5.679169       2.608144  
1 1 1 -7  9  43 o 106.9567 1.691112  114.9059       3.617434  113.9301       5.097490  115.8959       5.134359  -0.9155350     3.382224  
1 1 1 -7  9  44 o 32.87870 0.8901107 10.64463       0.5271482 11.24148       1.004391  10.41772       0.6193010 1.231251       1.780221  
1 1 1 -7  9  45 o 118.1880 1.848449  140.6168       4.369065  139.2347       6.141136  142.0333       6.217148  -1.174080      3.696898  
1 1 1 -7  9  46 o 71.00126 1.249860  50.34702       1.767723  53.14006       2.645360  48.09356       2.376132  3.527618       2.499719  
1 1 1 -7  9  47 f 12.01081 1.368927  1.530264       0.3060798 0.9591184      0.4343372 2.093717       0.4314023 -4.878480      2.737854  
1 1 1 -7  9  48 o 30.71157 0.7271248 9.456271       0.4459350 9.229589       0.6441473 9.664898       0.6179620 -0.7105923     1.454250  
1 1 1 -7  9  49 o 66.45193 0.8577431 43.86150       1.134178  40.43242       1.513586  48.25239       1.712755  -5.865833      1.715486  
1 1 1 -7  9  50 o 54.54401 0.7830372 29.81444       0.8540850 29.40359       1.211707  30.22011       1.204046  -0.7492027     1.566074  
1 1 1 -7  9  51 o 53.55483 0.7858444 28.63626       0.8401070 26.64279       1.148824  30.92765       1.231680  -3.992115      1.571689  
1 1 1 -7  9  52 o 84.89990 1.016970  72.32095       1.725865  73.67514       2.490520  71.06985       2.393834  1.520973       2.033940  
1 1 1 -7  9  53 o 39.08653 0.7656751 15.32310       0.5981860 14.80317       0.8496535 15.83410       0.8423197 -1.319592      1.531350  
1 1 1 -7  9  54 o 19.11827 1.026186  3.695632       0.3891380 3.177373       0.5537017 4.201435       0.5470078 -2.679270      2.052373  
1 1 1 -7  9  55 o 14.01074 1.439181  2.091495       0.3746385 1.454288       0.5460520 2.658186       0.5149524 -4.486051      2.878363  
1 1 1 -7  9  56 o 14.20178 1.616903  2.205093       0.4169874 3.325512       0.5919101 1.101186       0.5875327 7.947780       3.233807  
1 1 1 -7  9  57 o 10.42705 2.145521  1.132481       0.4773074 0.9507267      0.6679941 1.322083       0.6822613 -1.482548      4.291041  
1 1 1 -7  9  58 o 6.431698 1.934911  -0.8434732E-02 0.4443902 -0.2648867     0.6653140 0.1981439      0.5971265 -0.8059807     3.869821  
1 1 1 -7  9  59 o 12.31524 2.761338  1.529171       0.6664691 1.547759       0.7441043 1.453779       1.498604  -0.5595055     5.522675  
1 1 1 -7  9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  9  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  10 1  o 515.5996 7.576377  2647.979       77.58611  2842.366       118.3217  2501.354       102.7627  32.77762       15.15275  
1 1 1 -7  10 2  f 354.0869 5.206949  1253.229       36.80251  1300.591       54.10617  1212.450       50.20564  12.39655       10.41390  
1 1 1 -7  10 3  o 572.2374 7.265478  3303.572       79.38566  3345.073       98.89832  3228.390       133.1118  10.79474       14.53096  
1 1 1 -7  10 4  o 339.7827 3.761328  1157.189       25.36205  1143.067       38.20741  1168.313       33.91054  -3.754669      7.522656  
1 1 1 -7  10 5  o 104.2225 1.139186  107.8837       2.360800  115.3332       3.576837  102.1335       3.142520  6.331215       2.278372  
1 1 1 -7  10 6  o 479.7018 4.977562  2305.029       47.75190  2319.696       67.98952  2290.751       67.08239  3.005554       9.955124  
1 1 1 -7  10 7  f 497.7222 5.165574  2480.296       51.38734  2529.607       74.27736  2435.027       71.16769  9.459961       10.33115  
1 1 1 -7  10 8  o 203.9896 2.136793  416.1729       8.716109  420.6201       12.46851  411.9229       12.18912  2.130188       4.273586  
1 1 1 -7  10 9  o 121.7349 1.306526  147.9825       3.176971  143.8974       4.362980  152.5934       4.635197  -3.570709      2.613051  
1 1 1 -7  10 10 o 164.9244 1.740058  271.2242       5.724419  261.1980       7.765372  283.1575       8.471777  -6.653931      3.480116  
1 1 1 -7  10 11 o 252.3482 2.635219  635.7351       13.27255  616.1972       18.09408  658.4932       19.52830  -8.369171      5.270439  
1 1 1 -7  10 12 o 260.2939 2.712305  676.2460       14.08887  702.8569       20.76415  653.5422       19.17941  9.459274       5.424610  
1 1 1 -7  10 13 o 125.8695 1.914975  158.4122       4.818885  155.9471       6.704196  161.0472       6.931345  -2.024490      3.829950  
1 1 1 -7  10 14 o 187.0573 1.965039  349.8569       7.348175  355.9583       10.58422  344.1797       10.20967  3.145691       3.930078  
1 1 1 -7  10 15 o 170.8666 1.800753  292.0603       6.153761  291.7331       8.694299  292.3888       8.711190  -0.1917419     3.601505  
1 1 1 -7  10 16 o 180.1714 1.894889  324.5262       6.823893  331.1325       9.859790  318.4526       9.453887  3.515488       3.789779  
1 1 1 -7  10 17 o 35.59878 0.5787171 12.63646       0.4112264 13.24582       0.6050842 12.11344       0.5605856 1.590347       1.157434  
1 1 1 -7  10 18 o 180.9901 1.907043  326.6584       6.883497  341.5808       10.20534  314.2027       9.323751  7.554718       3.814085  
1 1 1 -7  10 19 o 472.6923 6.009258  2258.425       54.00775  2284.001       66.94249  2210.739       91.40623  8.567047       12.01852  
1 1 1 -7  10 20 o 253.1447 3.266981  634.6640       15.30624  622.9521       18.35327  661.4177       27.73894  -7.408234      6.533961  
1 1 1 -7  10 21 o 129.3611 1.965418  165.5367       5.036820  154.3511       6.600714  181.1287       7.793154  -10.33339      3.930836  
1 1 1 -7  10 22 o 262.6747 3.883976  691.6430       20.38777  677.2859       28.16160  707.4550       29.55411  -5.700287      7.767952  
1 1 1 -7  10 23 o 112.1306 1.726282  124.0574       3.827903  137.2756       5.975937  114.8602       4.984806  9.981430       3.452564  
1 1 1 -7  10 24 o 147.3972 1.929725  215.9713       5.307980  221.4986       9.438321  213.4145       6.419328  2.697632       3.859449  
1 1 1 -7  10 25 o 132.4518 1.725522  177.6650       4.405161  167.3634       7.159405  183.9412       5.588211  -6.279846      3.451043  
1 1 1 -7  10 26 o 203.7594 2.138690  415.2659       8.708681  406.4456       12.03291  424.9678       12.61993  -4.533997      4.277380  
1 1 1 -7  10 27 o 202.9367 2.132194  411.8488       8.645301  422.4330       12.56753  402.3409       11.91144  4.937347       4.264388  
1 1 1 -7  10 28 o 99.56524 1.102437  98.13627       2.177980  91.48714       2.870629  107.1559       3.343402  -7.863358      2.204875  
1 1 1 -7  10 29 o 151.8707 1.617697  230.7945       4.912990  233.0961       7.015876  228.5799       6.882089  1.484497       3.235394  
1 1 1 -7  10 30 o 116.7682 1.271265  135.8790       2.959582  129.9923       3.999422  143.0045       4.400184  -5.565887      2.542530  
1 1 1 -7  10 31 o 132.2282 1.422746  174.9716       3.762499  174.2592       5.305285  175.6924       5.336810  -0.5413361     2.845492  
1 1 1 -7  10 32 o 136.4726 1.465763  185.8024       3.990077  178.4475       5.410459  194.5721       5.907948  -5.896378      2.931526  
1 1 1 -7  10 33 o 19.83504 0.7797837 3.940868       0.3088646 3.807733       0.4444411 4.065225       0.4295410 -0.6492805     1.559567  
1 1 1 -7  10 34 f 101.3031 1.127607  102.5402       2.281958  99.58611       3.137162  105.8594       3.325412  -3.091949      2.255214  
1 1 1 -7  10 35 o 33.93684 0.6658604 11.28449       0.4462698 9.160251       0.5888524 14.15091       0.6840297 -7.351389      1.331721  
1 1 1 -7  10 36 o 91.86094 1.041010  84.45646       1.912556  84.50807       2.708582  84.40512       2.700960  0.5581665E-01  2.082019  
1 1 1 -7  10 37 o 48.34268 0.6987314 23.37864       0.6754438 23.48338       0.9655830 23.27829       0.9451872 0.2116585      1.397463  
1 1 1 -7  10 38 o 99.19328 1.109587  98.43966       2.200088  96.34826       3.051177  100.7047       3.175323  -2.191078      2.219173  
1 1 1 -7  10 39 o 115.2511 1.264911  132.7615       2.909762  137.9938       4.281410  128.2702       3.966645  4.201286       2.529823  
1 1 1 -7  10 40 o 49.59493 0.7124180 24.61308       0.7065763 24.15861       0.9971792 25.07135       1.001333  -0.9200554     1.424836  
1 1 1 -7  10 41 o 42.53091 0.6904933 18.09255       0.5867422 18.28374       0.8512383 17.91950       0.8098646 0.4267578      1.380987  
1 1 1 -7  10 42 o 115.3966 1.805853  133.6155       4.163023  129.5155       5.723407  138.2216       6.066356  -3.738495      3.611706  
1 1 1 -7  10 43 f 91.18686 1.486148  83.04552       2.699127  87.87933       4.043810  79.16163       3.624762  4.742622       2.972296  
1 1 1 -7  10 44 o 58.06798 0.9564238 32.62907       1.025496  30.92692       1.218553  36.76095       1.898539  -4.978207      1.912848  
1 1 1 -7  10 45 o 43.07948 0.7080699 18.58092       0.6098202 18.45364       0.8732266 18.70208       0.8519972 -0.2894554     1.416140  
1 1 1 -7  10 46 o 23.32895 0.7874407 5.413769       0.3660561 5.893982       0.5469378 5.024126       0.4926679 1.860758       1.574881  
1 1 1 -7  10 47 o 39.58032 0.7107384 15.59725       0.5607095 16.77579       0.8362613 14.63469       0.7557612 2.699398       1.421477  
1 1 1 -7  10 48 o 32.56469 0.7354655 10.59454       0.4773794 9.425751       0.6585776 11.88857       0.6929672 -3.778801      1.470931  
1 1 1 -7  10 49 o 80.40488 0.9679764 64.83331       1.556321  65.21138       2.224856  64.47105       2.177837  0.4552917      1.935953  
1 1 1 -7  10 50 o 19.13756 0.9580696 3.531018       0.3590991 4.701243       0.5728157 2.773342       0.4609162 5.023838       1.916139  
1 1 1 -7  10 51 o 51.69973 0.7774016 26.77330       0.8034904 25.71926       1.122174  27.88216       1.150988  -2.088787      1.554803  
1 1 1 -7  10 52 o 34.91247 0.7743112 12.11838       0.5373844 10.40483       0.7275316 14.17576       0.7971885 -5.393021      1.548622  
1 1 1 -7  10 53 o 45.19650 0.7730324 20.34887       0.6964250 18.36729       0.9451033 22.70324       1.030174  -4.787125      1.546065  
1 1 1 -7  10 54 o 29.14594 0.8459749 8.594285       0.4890012 7.683402       0.7122780 9.406358       0.6725364 -2.961266      1.691950  
1 1 1 -7  10 55 o 19.92441 1.027959  3.937320       0.4061429 4.400337       0.6262748 3.601262       0.5335494 1.988445       2.055918  
1 1 1 -7  10 56 o 14.91081 1.575978  2.266986       0.4664290 2.420538       0.6366947 2.089128       0.6852373 1.125253       3.151956  
1 1 1 -7  10 57 o 23.26228 1.283608  5.402523       0.5927776 6.421601       0.8866059 4.578732       0.7971410 3.938263       2.567216  
1 1 1 -7  10 58 o 13.36808 2.031209  1.907996       0.5270347 1.747478       0.7640874 2.053672       0.7279074 -1.160884      4.062417  
1 1 1 -7  10 59 o 38.88094 1.597324  15.23939       1.242109  15.23939       1.242109  ?              ?         ?              ?         
1 1 1 -7  10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  11 1  o 222.6902 2.327592  496.0668       10.36544  500.4224       14.79424  491.8671       14.52730  1.919037       4.655184  
1 1 1 -7  11 2  o 226.3068 2.364282  511.7343       10.68952  499.1886       14.71368  525.7574       15.55599  -5.864212      4.728565  
1 1 1 -7  11 3  o 314.0054 3.265885  986.8698       20.51011  987.1818       29.00865  986.5580       29.00270  0.9927368E-01  6.531770  
1 1 1 -7  11 4  o 162.0782 1.712424  262.4328       5.544980  256.1700       7.633521  269.4290       8.068086  -4.088120      3.424849  
1 1 1 -7  11 5  o 191.9245 2.014322  368.2134       7.727356  375.7185       11.16131  361.3043       10.70898  3.752457       4.028644  
1 1 1 -7  11 6  f 300.5993 3.126580  904.2220       18.79453  896.4236       26.32758  912.3265       26.83874  -2.640350      6.253161  
1 1 1 -7  11 7  o 358.2999 3.722123  1284.995       26.66614  1300.524       38.22145  1270.268       37.22164  4.210571       7.444247  
1 1 1 -7  11 8  o 244.8680 2.558173  599.9069       12.52751  595.5046       17.59747  604.4305       17.83813  -1.820618      5.116345  
1 1 1 -7  11 9  o 198.9694 2.091652  395.9780       8.322241  392.0437       11.64861  400.0798       11.89408  -2.017685      4.183303  
1 1 1 -7  11 10 o 150.3273 1.593253  225.7309       4.784693  232.1825       6.969549  219.9797       6.580365  4.056580       3.186506  
1 1 1 -7  11 11 o 140.8172 1.502014  198.3411       4.230178  198.0715       5.974694  198.6122       5.990087  -0.1918945     3.004028  
1 1 1 -7  11 12 o 245.9999 3.638548  605.7502       17.89404  615.9835       25.75996  596.2079       24.87520  4.006714       7.277097  
1 1 1 -7  11 13 f 235.5660 2.459743  555.2594       11.58758  559.2633       16.52082  551.3825       16.25698  1.669983       4.919485  
1 1 1 -7  11 14 o 250.7223 2.615421  629.1704       13.11488  628.7747       18.53445  629.5673       18.56005  -0.1577606     5.230843  
1 1 1 -7  11 15 o 224.7108 2.350036  503.9532       10.53710  486.2995       14.32957  524.7377       15.54834  -8.538803      4.700073  
1 1 1 -7  11 16 f 83.03765 0.9370987 68.95544       1.556200  68.41980       2.186500  69.50532       2.215381  -0.6534882     1.874197  
1 1 1 -7  11 17 o 365.8854 3.805313  1341.568       27.84135  1329.212       38.94631  1354.483       39.81530  -3.434723      7.610626  
1 1 1 -7  11 18 o 285.4274 2.974299  815.3443       16.96785  800.1966       23.49525  831.8561       24.53055  -5.526917      5.948597  
1 1 1 -7  11 19 o 136.8822 1.461106  187.0491       3.993110  181.1010       5.458112  193.8988       5.857208  -4.670731      2.922213  
1 1 1 -7  11 20 o 209.1438 2.192829  437.8600       9.172250  438.9098       13.00389  436.8208       12.93939  0.4983368      4.385657  
1 1 1 -7  11 21 o 326.6143 3.401997  1069.501       22.22126  1062.653       31.20597  1076.546       31.64996  -2.114685      6.803994  
1 1 1 -7  11 22 f 116.4576 1.260889  135.5211       2.934278  132.2418       4.049621  139.1458       4.257578  -2.962128      2.521777  
1 1 1 -7  11 23 o 174.6627 1.843744  305.2621       6.439999  302.7747       9.029733  307.8370       9.187380  -1.446884      3.687488  
1 1 1 -7  11 24 o 60.61804 0.9203995 37.40808       1.075756  39.47493       1.373482  34.12798       1.730264  4.413090       1.840799  
1 1 1 -7  11 25 o 162.4647 2.436417  264.2619       7.914508  260.8823       11.04048  267.8347       11.35162  -2.132828      4.872833  
1 1 1 -7  11 26 o 163.4483 2.454122  267.0529       8.009356  276.4752       11.73638  258.8397       10.95757  5.376740       4.908245  
1 1 1 -7  11 27 f 75.09820 1.254280  55.62635       1.865361  51.08279       2.439003  62.02919       2.895345  -7.282181      2.508560  
1 1 1 -7  11 28 o 101.5315 1.591407  102.7742       3.221794  108.0282       4.785609  98.41895       4.357090  4.724655       3.182814  
1 1 1 -7  11 29 o 41.04824 0.8162186 17.52114       0.6431592 13.71747       0.9887061 20.31142       0.8468177 -8.033276      1.632437  
1 1 1 -7  11 30 o 107.3324 1.454772  114.3332       2.910277  117.9358       5.194069  112.6846       3.513619  2.413948       2.909544  
1 1 1 -7  11 31 o 59.51740 0.7647644 35.16825       0.9056276 37.96912       1.368024  32.98324       1.208298  4.186691       1.529529  
1 1 1 -7  11 32 o 131.8986 1.420969  174.0556       3.746892  176.8960       5.393427  171.4061       5.209184  2.076660       2.841939  
1 1 1 -7  11 33 o 73.33800 0.8750952 53.74711       1.282273  55.11345       1.863786  52.51913       1.766906  1.767006       1.750190  
1 1 1 -7  11 34 f 60.15703 0.7692542 35.90242       0.9202469 38.95964       1.395039  33.54724       1.224438  4.495491       1.538508  
1 1 1 -7  11 35 o 125.7208 1.364118  158.2815       3.429890  157.5471       4.831571  159.0276       4.869848  -0.5873642     2.728236  
1 1 1 -7  11 36 f 56.78957 0.7494350 32.09614       0.8482048 34.26205       1.266023  30.33213       1.142544  3.457081       1.498870  
1 1 1 -7  11 37 o 29.33308 0.6676215 8.571921       0.3908444 9.268126       0.5745904 7.972403       0.5332022 2.207676       1.335243  
1 1 1 -7  11 38 o 49.08988 0.7068831 23.82818       0.6892980 26.60560       1.052490  21.74213       0.9121352 4.949451       1.413766  
1 1 1 -7  11 39 o 53.23123 0.9043400 28.41395       0.9068308 28.22106       1.570865  28.51036       1.110570  -0.2904510     1.808680  
1 1 1 -7  11 40 o 99.71101 1.586479  99.51492       3.158087  95.66562       4.311515  103.9709       4.638847  -4.138840      3.172958  
1 1 1 -7  11 41 o 85.55183 2.879791  73.65392       4.927427  73.65392       4.927427  ?              ?         ?              ?         
1 1 1 -7  11 42 f 12.20813 1.380233  1.530283       0.3175195 2.122700       0.4656973 1.015644       0.4340519 4.692093       2.760465  
1 1 1 -7  11 43 o 77.37230 0.9297112 59.56081       1.432509  55.79723       1.920258  64.28356       2.151083  -5.469353      1.859422  
1 1 1 -7  11 44 o 26.93297 0.7308809 7.250156       0.3928272 7.425914       0.5778263 7.099118       0.5356510 0.6045074      1.461762  
1 1 1 -7  11 45 o 85.63261 1.003587  73.27193       1.715354  70.05872       2.337237  77.02345       2.525434  -4.051231      2.007175  
1 1 1 -7  11 46 o 28.22077 0.7380888 7.942504       0.4146144 8.295468       0.6225103 7.661092       0.5558434 1.119543       1.476178  
1 1 1 -7  11 47 o 24.11588 0.8099450 5.751574       0.3876617 6.444714       0.5949426 5.240141       0.5110449 2.490482       1.619890  
1 1 1 -7  11 48 o 62.97257 0.8319223 39.57105       1.044537  41.81189       1.552901  37.71950       1.411586  3.236649       1.663845  
1 1 1 -7  11 49 o 47.47704 0.7557872 22.50663       0.7153961 23.51606       1.062945  21.67077       0.9672570 1.934750       1.511574  
1 1 1 -7  11 50 o 41.65958 0.7471529 17.38028       0.6216248 17.58299       0.9060284 17.19998       0.8544570 0.4546700      1.494306  
1 1 1 -7  11 51 o 45.25092 0.7626029 20.46719       0.6880572 21.19654       1.020539  19.85938       0.9316449 1.468231       1.525206  
1 1 1 -7  11 52 o 31.28283 0.7779587 9.826862       0.4849212 8.796431       0.6821054 10.87981       0.6895189 -3.329075      1.555917  
1 1 1 -7  11 53 o 11.74390 1.565861  1.477658       0.3511702 1.079895       0.5257055 1.798167       0.4718997 -3.239650      3.131721  
1 1 1 -7  11 54 o 53.70161 0.8153433 28.92470       0.8751464 27.51555       1.226297  30.38723       1.249312  -2.670444      1.630687  
1 1 1 -7  11 55 o 41.38372 0.9402435 17.18201       0.7522704 17.12320       0.9486477 17.28165       1.234786  -0.1439590     1.880487  
1 1 1 -7  11 56 o 50.69092 1.047986  25.39298       1.040208  23.75270       1.323845  28.03990       1.681696  -4.155846      2.095973  
1 1 1 -7  11 57 f 24.13352 1.245715  5.876235       0.6009043 5.601798       0.8435107 6.159024       0.8562465 -1.151184      2.491431  
1 1 1 -7  11 58 o 19.19963 1.456413  3.713249       0.5575945 4.049847       0.8272636 3.433022       0.7548212 1.583065       2.912827  
1 1 1 -7  11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  11 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  12 1  o 355.1848 3.691635  1263.228       26.22098  1253.183       36.73872  1273.658       37.43522  -2.872650      7.383270  
1 1 1 -7  12 2  o 417.2826 4.334667  1741.559       36.11723  1692.742       49.43309  1797.459       52.89769  -12.49130      8.669333  
1 1 1 -7  12 3  o 407.2539 4.231908  1660.823       34.45187  1687.482       49.66225  1636.090       47.83379  6.280731       8.463817  
1 1 1 -7  12 4  f 190.9510 2.009710  364.5737       7.671096  370.7715       11.06315  358.8344       10.64601  3.122559       4.019420  
1 1 1 -7  12 5  o 313.4304 3.260553  981.1517       20.39724  1018.580       30.01746  949.0447       27.80188  11.06522       6.521106  
1 1 1 -7  12 6  o 56.49395 0.7160276 31.91504       0.8089596 31.73817       1.135654  32.09722       1.152618  -0.3177299     1.432055  
1 1 1 -7  12 7  o 136.7259 1.457916  185.1210       3.953757  201.0179       6.077849  173.4585       5.205805  10.07333       2.915833  
1 1 1 -7  12 8  o 196.7662 2.064861  387.3573       8.125849  386.3885       11.46815  388.3340       11.51537  -0.4939880     4.129721  
1 1 1 -7  12 9  o 161.6228 1.711805  261.2566       5.532478  264.3018       7.908986  258.3387       7.741899  1.843567       3.423610  
1 1 1 -7  12 10 o 292.1044 3.042947  851.6498       17.73045  820.6757       24.05521  888.4937       26.23572  -11.57892      6.085894  
1 1 1 -7  12 11 o 584.3412 6.098358  3425.948       71.16805  3528.162       104.0155  3335.982       97.58556  16.26019       12.19672  
1 1 1 -7  12 12 o 171.0548 1.804207  291.5534       6.151580  279.3010       8.301452  306.4752       9.161257  -7.935455      3.608414  
1 1 1 -7  12 13 o 250.0166 2.608681  625.4956       13.04045  634.0463       18.71490  617.4261       18.18066  3.316559       5.217362  
1 1 1 -7  12 14 f 22.42108 0.6298068 4.957417       0.2741774 3.478660       0.3654982 6.860380       0.4146217 -7.541220      1.259614  
1 1 1 -7  12 15 o 325.2062 3.384268  1059.460       22.00914  1050.415       30.84469  1068.844       31.41437  -2.822113      6.768536  
1 1 1 -7  12 16 o 166.1413 1.755141  276.0217       5.829081  281.0065       8.404796  271.4018       8.091271  2.887024       3.510282  
1 1 1 -7  12 17 o 234.9902 2.456321  552.6295       11.54015  544.5060       16.06611  561.2881       16.58683  -3.561844      4.912643  
1 1 1 -7  12 18 o 232.8936 2.435927  542.3385       11.33261  557.7228       16.51743  528.6556       15.57732  6.222885       4.871854  
1 1 1 -7  12 19 o 39.78544 0.6052194 15.62711       0.4782276 17.64220       0.7305666 14.11624       0.6325953 4.430752       1.210439  
1 1 1 -7  12 20 o 119.5612 1.291565  142.6313       3.082064  137.5699       4.199543  148.5399       4.537436  -4.584160      2.583131  
1 1 1 -7  12 21 o 182.7810 1.924672  332.9903       7.011518  318.9327       9.456409  350.1550       10.44934  -8.526031      3.849344  
1 1 1 -7  12 22 o 117.6899 1.274629  138.3909       2.997367  134.8773       4.131561  142.2952       4.355103  -3.149132      2.549259  
1 1 1 -7  12 23 o 167.4594 1.772940  280.4266       5.934161  286.5401       8.577495  274.8143       8.218362  3.495483       3.545881  
1 1 1 -7  12 24 o 149.6098 1.592274  223.9624       4.764099  225.3675       6.783125  222.5944       6.692689  0.9254456      3.184549  
1 1 1 -7  12 25 o 222.5711 2.333150  495.8951       10.38161  488.4717       14.43785  503.8424       14.93857  -3.441528      4.666300  
1 1 1 -7  12 26 f 302.9826 3.160530  919.9910       19.13844  902.0873       26.48326  939.5616       27.68865  -6.143921      6.321061  
1 1 1 -7  12 27 o 171.1507 1.810795  292.7913       6.190478  301.5157       9.031661  285.0606       8.501673  4.796432       3.621590  
1 1 1 -7  12 28 o 98.50215 1.097033  96.66376       2.154470  92.26381       2.911169  101.9919       3.203534  -4.934097      2.194066  
1 1 1 -7  12 29 o 196.3084 2.543388  384.2174       9.331552  380.4112       11.30694  392.3470       16.52469  -2.857590      5.086775  
1 1 1 -7  12 30 f 151.0363 2.093972  225.8616       6.096825  218.7870       7.607420  238.5645       10.19388  -6.462173      4.187945  
1 1 1 -7  12 31 o 50.72807 0.9988634 25.74596       1.013353  25.39106       1.430714  26.10324       1.435494  -0.7018776     1.997727  
1 1 1 -7  12 32 o 39.08337 0.9487054 15.28781       0.7413499 14.97734       1.053636  15.59222       1.043295  -0.7868309     1.897411  
1 1 1 -7  12 33 o 96.24918 1.532396  92.78424       2.949836  92.83687       4.172917  92.73169       4.170479  0.5455017E-01  3.064791  
1 1 1 -7  12 34 o 209.7326 3.140291  443.0694       13.16683  450.4958       18.95405  436.1434       18.30438  3.364868       6.280582  
1 1 1 -7  12 35 f 27.33593 0.8151395 7.138482       0.4110001 8.350029       0.7681385 6.652497       0.4864977 3.097525       1.630279  
1 1 1 -7  12 36 o 104.6213 1.438644  107.7786       2.767116  114.4900       5.097664  104.9750       3.294778  4.458412       2.877288  
1 1 1 -7  12 37 o 129.9052 1.995561  169.1254       5.174728  163.0999       7.059021  176.1248       7.608132  -4.967369      3.991122  
1 1 1 -7  12 38 o 69.02380 1.196979  47.65454       1.651001  45.84071       2.278728  49.65880       2.395374  -2.759430      2.393958  
1 1 1 -7  12 39 o 72.52984 0.9522806 51.79333       1.347572  48.92448       1.705602  56.55917       2.198334  -5.240051      1.904561  
1 1 1 -7  12 40 o 63.73996 0.8138462 40.60755       1.036665  39.10134       1.431880  42.26671       1.502823  -2.479935      1.627692  
1 1 1 -7  12 41 o 63.91912 1.164587  39.81874       1.465289  34.80204       1.879635  47.59044       2.339497  -9.972893      2.329174  
1 1 1 -7  12 42 o 73.94088 0.8978813 54.74459       1.327367  55.18282       1.904915  54.33099       1.850622  0.5727539      1.795763  
1 1 1 -7  12 43 o 39.87318 0.6991606 15.79170       0.5546307 17.08507       0.8382934 14.78477       0.7396650 2.879681       1.398321  
1 1 1 -7  12 44 o 46.52169 0.7243904 21.58496       0.6724872 19.75515       0.9215037 23.66973       0.9836125 -4.203682      1.448781  
1 1 1 -7  12 45 o 14.99906 1.068758  2.320191       0.3109733 1.745987       0.4532433 2.830912       0.4274542 -3.618979      2.137517  
1 1 1 -7  12 46 f 12.16553 1.317774  1.497688       0.3094645 1.846806       0.4578827 1.204116       0.4198804 2.793777       2.635548  
1 1 1 -7  12 47 o 50.41127 0.7584863 25.44516       0.7641537 25.74401       1.104934  25.17119       1.057950  0.5643616      1.516973  
1 1 1 -7  12 48 o 77.30359 0.9443678 59.92567       1.459628  60.22960       2.092160  59.63744       2.037381  0.3770065      1.888736  
1 1 1 -7  12 49 o 16.48621 1.090079  2.764565       0.3545299 2.443560       0.5263627 3.031122       0.4796487 -1.788387      2.180158  
1 1 1 -7  12 50 o 65.74986 0.8636184 43.09458       1.130387  45.95828       1.700282  40.82630       1.513234  3.880745       1.727237  
1 1 1 -7  12 51 o 67.97897 0.8868645 46.35302       1.205252  46.55952       1.731580  46.15896       1.678622  0.2878799      1.773729  
1 1 1 -7  12 52 o 7.243423 1.813614  0.4542546      0.3254983 0.5266802      0.5079286 0.4037855      0.4240032 0.8077574      3.627229  
1 1 1 -7  12 53 o 38.21081 0.7840798 14.65763       0.5981007 14.39914       0.8682981 14.89102       0.8250430 -0.6494408     1.568160  
1 1 1 -7  12 54 f 20.38286 1.019601  4.166968       0.4149817 4.332791       0.6081151 4.022449       0.5677114 0.7540131      2.039203  
1 1 1 -7  12 55 o 29.42791 1.061840  8.702879       0.6230990 8.601102       0.8468964 8.822993       0.9200296 -0.3624878     2.123681  
1 1 1 -7  12 56 f 43.31992 1.094602  18.88885       0.9480391 19.05691       1.361031  18.73046       1.321311  0.3680954      2.189204  
1 1 1 -7  12 57 o 64.00695 1.233056  41.35651       1.578312  40.94575       2.212355  41.78225       2.252323  -0.6424141     2.466112  
1 1 1 -7  12 58 o 50.30915 1.144709  25.52371       1.151412  25.57574       1.608896  25.46907       1.648511  0.1162720      2.289419  
1 1 1 -7  12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  13 1  o 95.60670 1.055651  90.21767       1.997810  99.60580       3.105059  83.58592       2.609723  8.375473       2.111301  
1 1 1 -7  13 2  f 224.8481 2.352826  505.6062       10.57438  496.5831       14.65790  515.3981       15.26970  -4.177032      4.705653  
1 1 1 -7  13 3  o 266.8802 2.782965  712.9980       14.85435  712.8998       21.01855  713.0958       20.99592  -0.3698730E-01 5.565930  
1 1 1 -7  13 4  o 213.8486 2.241852  455.1772       9.545135  433.5073       12.79236  482.3964       14.33703  -11.41414      4.483703  
1 1 1 -7  13 5  o 402.1019 4.181109  1619.381       33.59854  1653.464       48.66710  1588.342       46.44197  8.052612       8.362219  
1 1 1 -7  13 6  o 133.3020 1.426588  176.8560       3.787669  168.5840       5.087021  187.1475       5.674080  -6.958832      2.853176  
1 1 1 -7  13 7  o 200.5986 2.105008  402.5601       8.443576  407.0221       12.08505  398.3045       11.80202  2.169907       4.210016  
1 1 1 -7  13 8  o 183.8953 1.934566  338.3591       7.115149  338.4629       10.06593  338.2554       10.05876  0.5633545E-01  3.869131  
1 1 1 -7  13 9  o 252.1285 3.729592  636.9658       18.80544  633.1046       26.41171  640.9360       26.78198  -1.545746      7.459184  
1 1 1 -7  13 10 o 111.1602 1.208259  123.4118       2.683067  120.0469       3.688553  127.1928       3.909982  -3.212769      2.416518  
1 1 1 -7  13 11 o 270.6825 2.823547  733.6376       15.28569  733.0186       21.60404  734.2581       21.63043  -0.2285461     5.647094  
1 1 1 -7  13 12 o 70.82979 0.8370605 49.44907       1.174019  55.26863       1.823232  45.32686       1.534483  7.016609       1.674121  
1 1 1 -7  13 13 o 233.3115 2.440284  544.1831       11.37337  530.4771       15.63504  559.5862       16.57481  -6.223465      4.880569  
1 1 1 -7  13 14 o 71.40137 0.8353758 50.98823       1.192936  50.84188       1.684728  51.13540       1.689415  -0.2055054     1.670752  
1 1 1 -7  13 15 o 133.5844 1.430120  178.4274       3.819060  175.5082       5.305051  181.5678       5.502280  -2.265961      2.860239  
1 1 1 -7  13 16 o 133.8945 1.433057  178.5200       3.822915  188.5930       5.714272  170.3589       5.143499  6.802628       2.866114  
1 1 1 -7  13 17 o 234.8389 2.456799  552.0828       11.53604  559.3505       16.54176  545.2011       16.09623  3.003738       4.913598  
1 1 1 -7  13 18 o 152.0189 1.614606  230.1665       4.890013  242.8483       7.310985  219.9003       6.577992  7.538437       3.229211  
1 1 1 -7  13 19 o 51.96939 0.6845404 26.95082       0.7105606 28.17187       1.038107  25.87448       0.9746602 2.209991       1.369081  
1 1 1 -7  13 20 o 163.8787 1.735482  267.5243       5.666484  282.2188       8.468392  255.6109       7.625032  8.106140       3.470964  
1 1 1 -7  13 21 o 103.6287 1.143158  106.9132       2.360379  101.8998       3.176551  113.0939       3.527055  -5.397530      2.286316  
1 1 1 -7  13 22 o 111.1461 1.212777  122.6422       2.679275  131.7475       4.069716  115.6769       3.559473  7.223877       2.425553  
1 1 1 -7  13 23 f 118.5097 1.284746  140.3676       3.042724  137.1468       4.204110  143.9106       4.409345  -2.851151      2.569492  
1 1 1 -7  13 24 o 126.3075 1.365545  157.4089       3.410035  145.9926       4.438120  173.8619       5.327943  -11.01977      2.731090  
1 1 1 -7  13 25 o 60.84247 0.7635932 36.95783       0.9279124 38.25369       1.355754  35.81586       1.272711  2.002697       1.527186  
1 1 1 -7  13 26 o 29.19664 0.6518119 8.532943       0.3802683 8.177559       0.5406228 8.880951       0.5349827 -1.204620      1.303624  
1 1 1 -7  13 27 o 251.4310 2.630758  633.7619       13.22907  634.4352       18.72626  633.0912       18.69124  0.2660980      5.261516  
1 1 1 -7  13 28 o 70.52397 0.8477161 49.65655       1.194278  47.86805       1.640942  51.67088       1.741464  -2.694862      1.695432  
1 1 1 -7  13 29 o 75.30457 0.8888192 56.32871       1.331373  60.43764       2.013477  53.13643       1.774733  4.844360       1.777638  
1 1 1 -7  13 30 o 151.1416 1.614059  228.4946       4.874830  223.0688       6.727883  234.4916       7.073171  -3.768692      3.228118  
1 1 1 -7  13 31 o 151.5130 1.617926  229.3493       4.892629  221.4292       6.666981  238.5928       7.202445  -5.645294      3.235853  
1 1 1 -7  13 32 o 49.95974 0.7056220 24.97182       0.7049530 24.65453       1.000995  25.28403       0.9929616 -0.6301498     1.411244  
1 1 1 -7  13 33 o 154.2157 2.036126  234.8525       5.780664  248.2605       10.61004  229.1923       6.893670  5.968231       4.072253  
1 1 1 -7  13 34 o 98.39818 1.564449  97.02722       3.078459  98.06420       4.392411  96.02611       4.315799  1.031700       3.128898  
1 1 1 -7  13 35 o 122.4578 2.682121  150.4964       6.568932  150.4964       6.568932  ?              ?         ?              ?         
1 1 1 -7  13 36 o 131.9573 2.866833  174.9847       7.565990  174.9847       7.565990  ?              ?         ?              ?         
1 1 1 -7  13 37 o 103.3737 1.632094  107.0612       3.370156  110.4457       4.915321  104.0585       4.629730  3.068138       3.264188  
1 1 1 -7  13 38 o 77.59396 1.301225  60.33757       2.019091  59.55490       2.828152  61.15118       2.883505  -1.025055      2.602450  
1 1 1 -7  13 39 o 21.41980 1.088500  4.596713       0.4661412 4.439417       0.6572400 4.755922       0.6612244 -0.7385826     2.177000  
1 1 1 -7  13 40 o 64.48933 0.9980534 42.53871       1.257667  36.36627       1.905711  47.30119       1.673959  -8.491039      1.996107  
1 1 1 -7  13 41 o 86.48225 1.235281  74.45357       1.991914  76.52962       3.548619  73.49852       2.406862  1.660332       2.470562  
1 1 1 -7  13 42 o 24.87960 0.7680216 5.967056       0.3734462 8.137880       0.5905212 4.520257       0.4820893 7.264475       1.536043  
1 1 1 -7  13 43 o 28.12204 0.7326339 7.846250       0.4098702 8.620319       0.6200040 7.245364       0.5462618 2.440384       1.465268  
1 1 1 -7  13 44 o 64.21045 0.8315843 41.19768       1.065789  42.83444       1.568022  39.79216       1.453043  2.360756       1.663169  
1 1 1 -7  13 45 o 11.47779 1.388888  1.326823       0.3050238 1.825047       0.4611397 0.9392763      0.4067072 4.008732       2.777777  
1 1 1 -7  13 46 o 90.84918 1.055253  82.80981       1.917293  82.74305       2.723739  82.87538       2.699347  -0.7553864E-01 2.110507  
1 1 1 -7  13 47 f 47.00285 0.7448800 22.05833       0.6988602 20.30073       0.9597000 24.04259       1.019702  -3.975372      1.489760  
1 1 1 -7  13 48 o 29.77022 0.7732737 8.745212       0.4559764 9.866670       0.7073714 7.947949       0.5964262 3.211847       1.546547  
1 1 1 -7  13 49 o 55.37115 0.7964904 30.59106       0.8789510 32.37638       1.311175  29.13404       1.184503  2.914242       1.592981  
1 1 1 -7  13 50 o 33.26268 0.7686574 11.11214       0.5102338 10.37189       0.7266449 11.83211       0.7166185 -2.196068      1.537315  
1 1 1 -7  13 51 o 56.93802 0.8183469 32.51942       0.9315217 31.48467       1.318405  33.55093       1.316338  -1.814728      1.636694  
1 1 1 -7  13 52 o 30.61256 0.8185058 9.396111       0.4974265 9.437737       0.7512230 9.363609       0.6637962 0.1092720      1.637012  
1 1 1 -7  13 53 o 23.93462 0.9178988 5.728209       0.4375960 6.012464       0.6547823 5.498778       0.5882574 1.062340       1.835798  
1 1 1 -7  13 54 o 62.06014 0.9326205 38.77728       1.154235  40.18775       1.591925  37.21392       1.675988  2.410156       1.865241  
1 1 1 -7  13 55 o 30.90180 1.128339  9.604984       0.6969006 10.02293       1.006726  9.220417       0.9656870 1.289299       2.256678  
1 1 1 -7  13 56 o 78.23622 1.387094  61.87881       2.169280  60.28654       3.008690  63.60273       3.130590  -2.082573      2.774189  
1 1 1 -7  13 57 o 38.40538 1.584585  0.000000       0.000000  ?              ?         14.86560       1.217132  ?              ?         
1 1 1 -7  13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  14 1  o 181.7514 1.913451  330.1808       6.949143  322.5530       9.585793  338.6299       10.08862  -4.416931      3.826902  
1 1 1 -7  14 2  o 395.7887 4.115529  1570.854       32.57531  1560.844       45.74626  1581.151       46.39754  -2.549438      8.231057  
1 1 1 -7  14 3  o 120.4149 1.300301  145.0285       3.131297  145.8777       4.459334  144.2024       4.397949  0.6951599      2.600601  
1 1 1 -7  14 4  f 192.1702 2.019356  369.1637       7.754405  360.8911       10.70143  378.3095       11.25204  -4.525360      4.038711  
1 1 1 -7  14 5  o 300.8692 3.134548  903.9161       18.81080  870.6834       25.50686  943.5424       27.85262  -12.06357      6.269097  
1 1 1 -7  14 6  o 97.34089 1.075274  94.77068       2.093336  94.60265       2.952063  94.94063       2.968858  -0.1735077     2.150547  
1 1 1 -7  14 7  o 273.8663 3.301034  747.7830       18.00446  790.1457       26.98572  713.7979       24.17056  13.88031       6.602069  
1 1 1 -7  14 8  o 324.3712 3.379404  1054.102       21.91823  1066.108       31.41292  1042.711       30.59729  3.588684       6.758808  
1 1 1 -7  14 9  o 213.2120 2.234462  454.1788       9.513012  440.9646       13.02014  469.3110       13.93307  -6.633682      4.468924  
1 1 1 -7  14 10 o 190.5371 2.004532  362.9544       7.631832  371.8370       11.07847  354.9316       10.52859  4.428482       4.009064  
1 1 1 -7  14 11 o 222.5396 2.330331  494.2289       10.34324  475.9482       14.01977  516.0631       15.32191  -8.990509      4.660661  
1 1 1 -7  14 12 o 31.69807 0.5928938 9.731808       0.3698112 12.39781       0.5838569 7.945662       0.4778972 7.022255       1.185788  
1 1 1 -7  14 13 o 108.7039 1.185191  117.8275       2.570199  123.2738       3.800866  113.2389       3.488775  4.612770       2.370381  
1 1 1 -7  14 14 o 238.1281 2.490903  566.5458       11.83974  587.7368       17.40942  548.3114       16.14933  8.252869       4.981806  
1 1 1 -7  14 15 o 292.8655 3.055331  858.9037       17.88597  876.2063       25.81949  842.9399       24.80044  5.654846       6.110662  
1 1 1 -7  14 16 o 272.0471 2.841051  741.3599       15.45717  745.9897       21.99642  736.8433       21.72558  1.675049       5.682102  
1 1 1 -7  14 17 o 336.3409 3.503709  1131.478       23.51678  1176.115       34.66135  1093.404       32.01194  12.22174       7.007418  
1 1 1 -7  14 18 o 23.50420 0.6497216 5.519403       0.3028592 4.599229       0.4180624 6.535649       0.4393449 -4.119192      1.299443  
1 1 1 -7  14 19 o 247.1000 2.583069  611.4779       12.76314  618.0043       18.26202  605.2463       17.84481  2.571976       5.166137  
1 1 1 -7  14 20 o 253.1201 2.645131  641.5234       13.38465  652.5513       19.27881  631.2617       18.59711  4.188889       5.290262  
1 1 1 -7  14 21 o 98.43643 1.094190  96.46192       2.146333  91.78394       2.890175  102.2142       3.204911  -5.294670      2.188381  
1 1 1 -7  14 22 o 199.3339 2.096554  397.8107       8.357574  400.5383       11.91225  395.1665       11.72867  1.343506       4.193108  
1 1 1 -7  14 23 o 82.22675 0.9477932 67.38043       1.554390  64.45081       2.105760  70.88789       2.304082  -3.912186      1.895586  
1 1 1 -7  14 24 o 87.22375 0.9904617 76.10152       1.727780  76.39221       2.455138  75.81628       2.431926  0.3298798      1.980923  
1 1 1 -7  14 25 o 59.73125 0.7667143 35.65156       0.9154134 34.70544       1.268620  36.67933       1.322223  -1.651794      1.533429  
1 1 1 -7  14 26 o 150.8779 1.609327  227.8237       4.855285  230.3672       6.949123  225.3978       6.786583  1.643143       3.218653  
1 1 1 -7  14 27 o 153.0924 1.631810  234.2245       4.988998  227.2758       6.836179  242.1424       7.297400  -4.843613      3.263619  
1 1 1 -7  14 28 o 122.7384 1.332101  150.7729       3.269957  151.0931       4.638337  150.4566       4.610622  0.2586288      2.664203  
1 1 1 -7  14 29 o 106.8022 1.178156  114.0801       2.515156  116.2959       3.631149  112.0364       3.487154  1.990738       2.356312  
1 1 1 -7  14 30 o 154.5788 2.030475  237.5345       5.839632  245.1364       10.45584  234.0883       7.039929  3.418579       4.060949  
1 1 1 -7  14 31 o 121.1702 1.867094  146.8207       4.516263  141.4414       6.162851  153.0603       6.637443  -4.771736      3.734188  
1 1 1 -7  14 32 o 40.18626 0.9263597 16.17052       0.7440399 15.83686       1.064871  16.48880       1.040031  -0.8118553     1.852719  
1 1 1 -7  14 33 f 71.46713 1.053882  50.58058       1.408965  49.61040       1.704799  52.67141       2.502688  -2.113777      2.107765  
1 1 1 -7  14 34 o 119.7938 1.308475  143.5606       3.131732  139.6177       4.312307  147.9609       4.555573  -3.470703      2.616950  
1 1 1 -7  14 35 o 54.65573 0.7376230 29.87125       0.8059927 28.80294       1.123955  31.00218       1.156430  -2.010857      1.475246  
1 1 1 -7  14 36 o 84.72344 0.9824665 71.74915       1.662555  74.13063       2.427707  69.64586       2.281512  2.640106       1.964933  
1 1 1 -7  14 37 o 118.5260 1.299383  140.7913       3.079564  142.0968       4.408504  139.5470       4.303710  1.068840       2.598767  
1 1 1 -7  14 38 o 32.12527 0.6844337 10.26078       0.4380451 11.08784       0.6558059 9.594537       0.5886067 2.321712       1.368867  
1 1 1 -7  14 39 o 65.94827 1.181935  43.49532       1.556766  45.35233       2.276154  41.86314       2.133920  2.635757       2.363871  
1 1 1 -7  14 40 o 81.68629 0.9670663 66.79987       1.579018  68.08756       2.279612  65.61221       2.189264  1.509331       1.934133  
1 1 1 -7  14 41 o 49.13361 0.8975101 23.74253       0.8266228 22.96804       0.9991121 25.42300       1.471708  -2.468830      1.795020  
1 1 1 -7  14 42 o 42.86561 0.9892602 18.31774       0.8454784 19.64655       1.257718  17.22217       1.142013  2.818928       1.978520  
1 1 1 -7  14 43 o 55.87538 1.086851  30.98973       1.207132  28.51979       1.602378  34.23087       1.835569  -5.088802      2.173702  
1 1 1 -7  14 44 o 10.15858 1.830826  1.048184       0.4106720 0.3796630      0.5753064 1.742757       0.5864087 -5.589549      3.661651  
1 1 1 -7  14 45 o 34.89360 0.9873503 12.21287       0.6888899 12.09785       0.9818422 12.32439       0.9668064 -0.3261833     1.974701  
1 1 1 -7  14 46 o 34.14255 1.013033  11.69409       0.6916776 11.93675       0.9831548 11.45627       0.9732797 0.7025146      2.026067  
1 1 1 -7  14 47 o 67.18829 1.056271  45.29716       1.335196  45.37984       2.323032  45.25639       1.631633  0.3265381E-02  2.112542  
1 1 1 -7  14 48 o 33.99152 0.7623096 11.62348       0.5158115 10.40204       0.7332525 12.82003       0.7257407 -3.557518      1.524619  
1 1 1 -7  14 49 o 37.24336 0.7521688 13.84080       0.5582104 14.58115       0.8332771 13.23809       0.7518458 1.794582       1.504338  
1 1 1 -7  14 50 o 75.58936 0.9463829 57.17761       1.426997  59.62441       2.111069  55.11898       1.936385  2.955994       1.892766  
1 1 1 -7  14 51 o 63.90420 0.8650417 40.94701       1.104441  41.58707       1.604050  40.37005       1.522935  0.9409523      1.730083  
1 1 1 -7  14 52 o 24.89240 0.8902724 6.259737       0.4394043 5.871707       0.6536524 6.579652       0.5935145 -1.431383      1.780545  
1 1 1 -7  14 53 o 43.59643 0.8460981 19.07119       0.7369663 20.27908       1.052246  17.90824       1.032490  2.716095       1.692196  
1 1 1 -7  14 54 o 10.00695 2.057134  0.9979829      0.4584096 0.5527343      0.6287228 1.503317       0.6698036 -3.775225      4.114267  
1 1 1 -7  14 55 o 31.40545 1.571047  0.000000       0.000000  ?              ?         9.934635       0.9867887 ?              ?         
1 1 1 -7  14 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  14 57 o 49.31503 1.145383  24.48191       1.128351  25.50487       1.645548  23.57411       1.550177  1.932129       2.290766  
1 1 1 -7  14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  14 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  15 1  o 169.2924 1.788460  284.9622       6.022610  270.2870       8.032158  303.8086       9.102403  -9.885468      3.576920  
1 1 1 -7  15 2  f 189.6333 1.994637  359.9057       7.564693  361.8311       10.75587  358.0211       10.64124  1.002777       3.989274  
1 1 1 -7  15 3  o 217.7744 2.284395  474.5962       9.945967  467.7008       13.84221  481.9557       14.30042  -3.264725      4.568789  
1 1 1 -7  15 4  o 149.6747 1.591512  223.4977       4.752431  233.0310       7.022415  215.4421       6.455253  5.868668       3.183024  
1 1 1 -7  15 5  o 271.8152 4.021916  741.4875       21.86432  742.4103       30.95201  740.5685       30.88974  0.3368530      8.043832  
1 1 1 -7  15 6  o 31.46566 0.5827265 9.867904       0.3660115 10.73926       0.5344000 9.098007       0.5023244 2.607861       1.165453  
1 1 1 -7  15 7  o 132.3268 1.418962  175.1323       3.754428  172.9753       5.240893  177.4062       5.381007  -1.672623      2.837924  
1 1 1 -7  15 8  o 185.3114 1.951576  342.4520       7.210552  328.8416       9.748781  358.8907       10.71393  -8.092514      3.903151  
1 1 1 -7  15 9  o 137.2544 1.467757  188.4314       4.028311  186.1727       5.629134  190.8022       5.767159  -1.684845      2.935514  
1 1 1 -7  15 10 o 124.8745 1.344552  155.0854       3.341927  147.2525       4.471169  165.0007       5.030523  -7.100365      2.689103  
1 1 1 -7  15 11 o 144.7852 1.543409  209.7227       4.468991  208.3304       6.278864  211.1521       6.362174  -0.9734192     3.086818  
1 1 1 -7  15 12 o 280.3331 2.923941  786.4176       16.37667  768.1395       22.55730  806.7890       23.81397  -6.864899      5.847882  
1 1 1 -7  15 13 f 81.91988 0.9353554 66.04385       1.514447  60.54867       1.967496  74.03341       2.372381  -8.227478      1.870711  
1 1 1 -7  15 14 o 266.6967 2.784063  712.4240       14.84810  706.2276       20.79998  718.8624       21.20257  -2.359711      5.568126  
1 1 1 -7  15 15 o 156.6700 1.664150  243.4335       5.175759  262.9522       7.918653  228.8754       6.838768  10.86009       3.328300  
1 1 1 -7  15 16 o 270.9688 2.831139  735.4537       15.33798  726.1630       21.36908  745.3265       22.02829  -3.519623      5.662277  
1 1 1 -7  15 17 o 126.1678 1.360341  159.1605       3.430818  162.1412       4.948956  156.4026       4.760357  2.271843       2.720682  
1 1 1 -7  15 18 o 276.8771 2.889388  768.1016       15.99633  777.3876       22.92156  759.2852       22.33432  3.253082       5.778776  
1 1 1 -7  15 19 o 72.48715 0.9324406 52.49577       1.347818  58.28850       1.942836  47.12131       1.871377  7.702217       1.864881  
1 1 1 -7  15 20 o 241.7636 2.529735  584.7781       12.21740  569.7027       16.79443  601.7242       17.80592  -6.595688      5.059470  
1 1 1 -7  15 21 o 74.71333 0.8805786 55.68819       1.313686  53.36464       1.796321  58.35968       1.926128  -3.341553      1.761157  
1 1 1 -7  15 22 o 231.9850 2.430737  537.6831       11.25072  518.6613       15.28933  560.1468       16.61507  -8.904388      4.861475  
1 1 1 -7  15 23 o 244.2567 2.556604  597.9604       12.48909  595.7704       17.59361  600.1848       17.73167  -0.8992767     5.113208  
1 1 1 -7  15 24 o 100.9073 1.122784  101.3831       2.257340  107.2851       3.374128  96.60120       3.037123  5.288696       2.245568  
1 1 1 -7  15 25 o 266.2718 2.786233  710.9546       14.82958  724.6254       21.40525  698.3367       20.56439  4.900116       5.572465  
1 1 1 -7  15 26 o 151.5534 1.616356  229.6985       4.894754  224.1576       6.749823  235.8441       7.108557  -3.846039      3.232712  
1 1 1 -7  15 27 o 117.5450 1.578707  136.7957       3.442137  142.4921       6.212337  134.2722       4.134884  3.435974       3.157415  
1 1 1 -7  15 28 o 35.74903 0.9014325 12.38143       0.6336218 15.19712       1.015026  10.58367       0.8110557 6.448536       1.802865  
1 1 1 -7  15 29 o 33.51789 0.9187580 11.25627       0.6142678 11.01002       0.8964304 11.47426       0.8434044 -0.6936951     1.837516  
1 1 1 -7  15 30 o 152.1111 2.007347  228.8718       5.641859  223.8251       6.750822  240.5608       10.27395  -5.306885      4.014694  
1 1 1 -7  15 31 o 65.03310 0.8080873 41.54417       1.037701  47.13707       1.633391  37.75911       1.343718  7.202629       1.616175  
1 1 1 -7  15 32 o 99.48837 1.112403  99.07137       2.213053  97.71311       3.095229  100.4919       3.165409  -1.393883      2.224807  
1 1 1 -7  15 33 o 73.46166 0.8802314 53.52679       1.285793  49.71667       1.709805  58.48610       1.950685  -5.960434      1.760463  
1 1 1 -7  15 34 o 88.00755 1.008752  76.98306       1.765266  82.66773       2.675574  72.60105       2.349095  5.704544       2.017504  
1 1 1 -7  15 35 o 90.33971 1.032300  81.39165       1.859895  77.48483       2.517774  86.08424       2.759377  -4.747795      2.064599  
1 1 1 -7  15 36 o 81.38173 0.9544899 66.21716       1.551528  68.17460       2.264429  64.48503       2.130111  2.260284       1.908980  
1 1 1 -7  15 37 o 93.56517 1.065634  87.64674       1.993422  85.85954       2.774426  89.55395       2.866056  -1.968948      2.131268  
1 1 1 -7  15 38 o 101.0068 1.610852  102.0573       3.244038  107.3981       4.822142  97.64185       4.384542  4.788277       3.221704  
1 1 1 -7  15 39 o 42.15192 0.7069327 17.78809       0.5952735 17.71833       0.8620882 17.85167       0.8229617 -0.1600456     1.413865  
1 1 1 -7  15 40 o 16.77739 0.9801967 2.699808       0.3158830 4.052037       0.5015184 1.810593       0.4066914 6.673596       1.960393  
1 1 1 -7  15 41 o 56.81354 0.7761829 32.28093       0.8813876 30.88503       1.222841  33.79018       1.271524  -2.553753      1.552366  
1 1 1 -7  15 42 o 48.11110 0.7316268 23.18791       0.7035370 22.81429       1.008201  23.54252       0.9822114 -0.7584534     1.463254  
1 1 1 -7  15 43 o 8.868681 1.637168  0.8320608      0.2950835 0.6850579      0.4441864 0.9481860      0.3947895 -1.303441      3.274335  
1 1 1 -7  15 44 o 27.93390 0.7670206 7.856944       0.4262037 7.064705       0.6112753 8.606443       0.5945585 -2.760958      1.534041  
1 1 1 -7  15 45 o 54.29887 0.7822906 29.32494       0.8451536 31.61387       1.276580  27.53883       1.127677  3.739300       1.564581  
1 1 1 -7  15 46 f 33.82718 0.7463938 11.40777       0.5032282 12.13508       0.7505535 10.81381       0.6782681 1.946362       1.492788  
1 1 1 -7  15 47 f 52.05819 0.7856219 26.91572       0.8132985 29.47686       1.233324  24.94503       1.081858  4.336800       1.571244  
1 1 1 -7  15 48 o 17.40974 1.283802  3.151944       0.4306692 3.938203       0.5930225 2.274492       0.6264695 4.783815       2.567603  
1 1 1 -7  15 49 o 36.82292 1.055954  13.58222       0.7762666 14.27268       1.140450  12.98618       1.059615  1.734394       2.111909  
1 1 1 -7  15 50 o 71.01554 1.280200  50.68908       1.815798  48.73441       2.489574  52.91075       2.654174  -2.907181      2.560399  
1 1 1 -7  15 51 o 52.16035 1.115465  27.17100       1.159053  29.79960       1.735224  25.05343       1.557446  4.514812       2.230930  
1 1 1 -7  15 52 o 11.55569 2.113197  1.395508       0.4920414 1.652946       0.7392442 1.190739       0.6593006 1.832210       4.226395  
1 1 1 -7  15 53 o 26.38746 1.627151  0.000000       0.000000  ?              ?         7.013196       0.8587278 ?              ?         
1 1 1 -7  15 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  15 55 o 37.75820 1.119853  14.37326       0.8453398 14.20432       1.208200  14.53526       1.183174  -0.4444771     2.239707  
1 1 1 -7  15 56 o 51.91548 1.152851  27.02236       1.193218  25.12633       1.611510  29.32335       1.775285  -3.998924      2.305702  
1 1 1 -7  15 57 o 22.44460 2.354207  5.440774       0.9926547 6.029728       1.298398  4.612289       1.539961  3.606251       4.708414  
1 1 1 -7  15 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  16 1  o 132.1573 1.417340  174.6872       3.745402  172.6994       5.231181  176.7779       5.364950  -1.541550      2.834680  
1 1 1 -7  16 2  o 171.3301 2.338255  294.6876       7.887962  289.2682       12.22494  298.5532       10.32477  -2.744049      4.676510  
1 1 1 -7  16 3  o 264.6319 3.919469  699.9343       20.67369  734.3814       30.79023  671.6560       27.89739  11.76328       7.838938  
1 1 1 -7  16 4  o 40.48414 0.6165646 16.34917       0.4985839 17.35782       0.7266638 15.45193       0.6853561 2.353676       1.233129  
1 1 1 -7  16 5  o 73.54610 0.8586562 53.42944       1.251800  49.38527       1.642861  59.02775       1.932922  -6.553459      1.717312  
1 1 1 -7  16 6  o 182.2804 1.920508  332.3443       6.998015  338.2453       10.08653  326.8677       9.717173  3.115387       3.841016  
1 1 1 -7  16 7  o 55.46549 0.7278978 30.49819       0.8032026 28.24140       1.070717  33.40249       1.214648  -4.651707      1.455796  
1 1 1 -7  16 8  o 298.3771 3.109728  892.2297       18.55743  892.3373       26.24618  892.1223       26.24216  0.3591919E-01  6.219456  
1 1 1 -7  16 9  o 72.20956 0.8554823 51.22505       1.219760  57.88637       1.919695  46.71483       1.579613  7.733116       1.710965  
1 1 1 -7  16 10 o 218.3181 2.289191  477.1960       9.995024  479.6023       14.21268  474.8415       14.05877  1.087402       4.578383  
1 1 1 -7  16 11 o 368.2355 3.834697  1360.810       28.24088  1365.291       40.08736  1356.395       39.79155  1.198212       7.669393  
1 1 1 -7  16 12 o 207.3374 2.178560  430.2146       9.030550  424.0659       12.56731  436.7791       12.98519  -3.057770      4.357121  
1 1 1 -7  16 13 f 139.1080 1.491897  193.6206       4.150695  193.5396       5.872127  193.7016       5.867813  -0.5825806E-01 2.983794  
1 1 1 -7  16 14 o 294.9139 3.076337  870.9161       18.12771  893.0514       26.33483  850.9825       24.99084  7.094238       6.152674  
1 1 1 -7  16 15 o 159.8339 1.696017  255.6661       5.421618  255.7350       7.668808  255.5972       7.665844  0.4307556E-01  3.392034  
1 1 1 -7  16 16 o 208.5916 2.189599  435.6876       9.134600  434.9118       12.89586  436.4688       12.94081  -0.3722382     4.379197  
1 1 1 -7  16 17 o 122.9593 1.333431  151.1339       3.276605  148.0502       4.528394  154.5224       4.746967  -2.628784      2.666863  
1 1 1 -7  16 18 o 56.94197 0.8085917 32.31625       0.9163105 37.12315       1.336658  28.05452       1.258581  7.962360       1.617183  
1 1 1 -7  16 19 o 184.3320 1.945104  339.9123       7.165846  347.2606       10.36943  333.1954       9.913978  3.805191       3.890208  
1 1 1 -7  16 20 o 127.5910 1.380170  161.3351       3.494797  175.1007       5.357221  151.1370       4.611063  9.378647       2.760341  
1 1 1 -7  16 21 o 80.87936 0.9377407 65.28107       1.514056  67.85931       2.224465  63.05571       2.066634  2.967720       1.875481  
1 1 1 -7  16 22 o 151.5528 1.615965  229.7888       4.895721  225.8154       6.798007  234.0700       7.056411  -2.717377      3.231930  
1 1 1 -7  16 23 o 177.0689 1.875261  312.2426       6.608992  297.0784       8.842419  331.4358       9.948012  -9.669281      3.750521  
1 1 1 -7  16 24 o 207.6615 2.677443  432.7486       10.48785  432.4495       18.14252  432.8987       12.85308  -0.3382721     5.354887  
1 1 1 -7  16 25 o 181.6475 2.718325  330.6768       9.861786  321.2752       13.52510  341.3493       14.41029  -5.480988      5.436651  
1 1 1 -7  16 26 o 114.5576 1.767824  131.4284       4.048702  133.3042       5.824848  129.6751       5.631504  1.576622       3.535649  
1 1 1 -7  16 27 o 56.07917 0.8907367 32.03462       0.9723212 34.37057       1.267003  28.68793       1.516534  5.071777       1.781473  
1 1 1 -7  16 28 o 150.5048 1.608877  226.8846       4.841610  223.8878       6.754857  230.0508       6.943166  -2.039352      3.217753  
1 1 1 -7  16 29 o 63.75890 0.8004017 40.53815       1.018092  42.52938       1.505775  38.86130       1.381799  2.873470       1.600803  
1 1 1 -7  16 30 o 33.31004 0.6632186 11.03142       0.4394699 9.537516       0.5983396 12.78135       0.6475862 -4.868063      1.326437  
1 1 1 -7  16 31 o 77.86576 0.9180427 60.68331       1.429667  60.55060       2.025051  60.81519       2.018674  -0.1701050     1.836085  
1 1 1 -7  16 32 o 215.6703 2.277614  467.2104       9.809556  453.7605       13.43959  482.5462       14.35082  -6.585205      4.555227  
1 1 1 -7  16 33 o 30.66698 0.6742416 9.265402       0.4102672 10.68575       0.6293179 8.215563       0.5410464 4.024729       1.348483  
1 1 1 -7  16 34 o 139.7880 1.508216  195.9624       4.215533  198.2243       6.043118  193.8183       5.883416  1.564316       3.016433  
1 1 1 -7  16 35 o 54.49742 0.7467005 29.18945       0.8041996 33.19091       1.261379  26.44903       1.043867  6.176952       1.493401  
1 1 1 -7  16 36 o 12.27336 1.215662  1.580307       0.2803747 1.281959       0.4296010 1.801672       0.3700493 -2.278681      2.431325  
1 1 1 -7  16 37 o 75.90442 0.9157234 57.38521       1.384463  61.03846       2.074489  54.45140       1.859033  4.327065       1.831447  
1 1 1 -7  16 38 o 38.47102 0.7096664 14.80269       0.5446939 13.42059       0.7580473 16.27801       0.7831950 -3.712482      1.419333  
1 1 1 -7  16 39 o 25.43927 0.7604498 6.350948       0.3827044 7.397809       0.5971494 5.621259       0.4985490 3.486425       1.520900  
1 1 1 -7  16 40 o 24.23169 0.7781523 5.903227       0.3755974 5.497973       0.5431800 6.274535       0.5199324 -1.603827      1.556305  
1 1 1 -7  16 41 o 110.0165 1.228928  121.3206       2.701471  117.8256       3.722779  125.2081       3.926252  -3.333313      2.457857  
1 1 1 -7  16 42 o 33.33556 0.7280689 11.07666       0.4829487 11.62739       0.7270593 10.64178       0.6460757 1.472473       1.456138  
1 1 1 -7  16 43 o 26.06308 0.7905250 6.804698       0.4110289 6.816419       0.6033395 6.794547       0.5614803 0.3847885E-01  1.581050  
1 1 1 -7  16 44 o 73.99561 0.9157766 54.67122       1.350593  57.55243       2.012846  52.31176       1.821509  3.521347       1.831553  
1 1 1 -7  16 45 o 71.96408 0.9061198 51.80474       1.302424  49.31099       1.787032  54.63016       1.902166  -3.682854      1.812240  
1 1 1 -7  16 46 o 70.62659 0.8999892 50.03398       1.270803  50.01858       1.821686  50.04858       1.773650  -0.2700043E-01 1.799978  
1 1 1 -7  16 47 f 67.41441 0.8782994 45.56404       1.183374  46.08932       1.709848  45.08112       1.639459  0.7392349      1.756599  
1 1 1 -7  16 48 o 41.58649 0.7625552 17.27244       0.6313194 17.96947       0.9465395 16.71388       0.8473186 1.498554       1.525110  
1 1 1 -7  16 49 o 35.35260 0.7834745 12.56965       0.5522815 11.78936       0.7950322 13.29734       0.7677689 -2.136108      1.566949  
1 1 1 -7  16 50 f 66.03752 0.8845227 43.76302       1.167461  44.18414       1.685392  43.37457       1.618705  0.6026459      1.769045  
1 1 1 -7  16 51 o 29.21790 1.313882  8.825533       0.7482862 7.215517       1.119582  10.12540       1.005983  -5.005516      2.627764  
1 1 1 -7  16 52 o 40.04062 1.363456  15.96895       1.074546  15.01107       1.384144  17.42193       1.704729  -2.927143      2.726912  
1 1 1 -7  16 53 o 46.37630 1.024120  21.78901       0.9407562 22.98100       1.268103  20.33001       1.402954  2.885727       2.048240  
1 1 1 -7  16 54 o 7.651798 2.000455  0.1285098      0.4629043 1.045764       0.7191885 -0.5202720     0.6048493 4.899485       4.000910  
1 1 1 -7  16 55 o 44.96693 1.139887  20.38444       1.025015  19.94748       1.439096  20.83439       1.460319  -0.9807053     2.279774  
1 1 1 -7  16 56 o 37.02358 1.154261  13.80693       0.8537987 14.58924       1.240484  13.10274       1.176929  1.989250       2.308523  
1 1 1 -7  16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  17 1  o 142.0880 2.156644  201.6102       6.115591  194.6676       8.328816  209.7325       9.008636  -5.288010      4.313288  
1 1 1 -7  17 2  o 210.3319 2.728836  437.6466       10.60795  457.8034       19.28987  428.9082       12.70086  6.709641       5.457672  
1 1 1 -7  17 3  o 154.3612 1.644182  238.0846       5.069874  231.6589       6.967801  245.3138       7.390636  -4.416794      3.288364  
1 1 1 -7  17 4  o 188.3187 1.983131  354.3867       7.458393  365.7553       10.90488  344.3942       10.22358  5.659378       3.966261  
1 1 1 -7  17 5  o 116.7752 1.275975  136.3459       2.978877  133.8709       4.142914  138.9952       4.286278  -2.192421      2.551950  
1 1 1 -7  17 6  o 300.1907 3.129688  902.2761       18.76978  926.5964       27.31368  880.5149       25.83679  7.633484       6.259376  
1 1 1 -7  17 7  f 37.67896 0.6941952 13.78151       0.5079730 15.91069       0.8467376 12.58436       0.6349174 4.412697       1.388390  
1 1 1 -7  17 8  o 200.4430 2.108926  399.9338       8.413263  424.7073       12.66786  380.3831       11.25360  11.02907       4.217853  
1 1 1 -7  17 9  o 53.66495 0.7095438 28.76229       0.7608499 27.89389       1.048837  29.72686       1.105398  -1.707417      1.419088  
1 1 1 -7  17 10 o 285.0563 2.974977  814.4989       16.96066  813.3350       23.94855  815.6702       24.02362  -0.4075317     5.949955  
1 1 1 -7  17 11 o 163.4340 1.735461  267.2864       5.671823  269.6223       8.104323  265.0440       7.940525  1.397888       3.470922  
1 1 1 -7  17 12 o 337.1141 3.514002  1140.305       23.68991  1131.390       33.21621  1149.535       33.79650  -2.670746      7.028003  
1 1 1 -7  17 13 o 127.2344 1.373309  161.8039       3.491605  158.1024       4.818711  165.8956       5.066340  -3.059006      2.746617  
1 1 1 -7  17 14 o 119.9728 1.301601  143.9627       3.122339  142.0960       4.356870  145.9336       4.476883  -1.597672      2.603203  
1 1 1 -7  17 15 f 91.96773 1.036052  84.51365       1.904053  86.82242       2.762405  82.42392       2.628089  2.389793       2.072105  
1 1 1 -7  17 16 f 38.87634 0.6578200 15.10334       0.5112055 14.45070       0.7124727 15.79585       0.7339115 -1.729877      1.315640  
1 1 1 -7  17 17 o 187.4446 1.978101  350.4891       7.392035  336.2581       9.987802  367.7258       10.99204  -8.370316      3.956201  
1 1 1 -7  17 18 o 304.4528 3.180632  929.5194       19.35328  911.8121       26.77525  948.8914       28.00554  -6.040161      6.361265  
1 1 1 -7  17 19 f 253.9712 2.658292  646.7387       13.50162  650.9628       19.23269  642.6342       18.95860  1.629654       5.316584  
1 1 1 -7  17 20 o 187.9398 2.147887  352.8001       7.950985  360.2236       12.42910  347.6580       10.34451  3.275345       4.295774  
1 1 1 -7  17 21 f 153.3813 2.309697  235.1752       7.068328  244.8268       10.43636  226.9962       9.607277  5.781845       4.619393  
1 1 1 -7  17 22 o 184.8009 2.763373  340.7229       10.16085  362.1338       15.32691  323.9347       13.57186  10.25285       5.526746  
1 1 1 -7  17 23 o 94.56586 1.495228  89.46757       2.825885  91.23161       4.089952  87.85615       3.908997  1.779495       2.990456  
1 1 1 -7  17 24 o 128.8212 1.708883  164.9406       4.109141  162.6602       4.968487  169.8764       7.309789  -2.714928      3.417767  
1 1 1 -7  17 25 o 44.07673 0.6738151 19.36918       0.5926113 20.34665       0.8751128 18.54128       0.8053808 2.046879       1.347630  
1 1 1 -7  17 26 o 53.06190 0.7231295 27.76969       0.7604905 31.11905       1.175900  25.36157       0.9970792 5.421810       1.446259  
1 1 1 -7  17 27 o 137.1949 1.476656  188.3949       4.048481  192.8654       5.869321  184.3374       5.591602  3.095505       2.953313  
1 1 1 -7  17 28 f 65.94099 0.8176631 42.72778       1.064904  48.41961       1.674427  38.86199       1.379937  7.239086       1.635326  
1 1 1 -7  17 29 o 90.34203 1.027018  81.26116       1.847848  86.33614       2.770794  77.19603       2.479848  5.048149       2.054037  
1 1 1 -7  17 30 o 49.75607 0.7054384 24.74491       0.7012940 25.32034       1.019123  24.22734       0.9665252 1.096851       1.410877  
1 1 1 -7  17 31 o 124.9456 1.360047  156.4182       3.397437  158.6683       4.882523  154.3060       4.730486  1.736427       2.720093  
1 1 1 -7  17 32 o 7.618146 1.480252  0.5204597      0.2531384 0.9995221      0.3932222 0.1814240      0.3307993 4.357452       2.960504  
1 1 1 -7  17 33 o 89.90479 1.028851  80.86967       1.848300  82.77646       2.682683  79.14668       2.550134  2.011765       2.057702  
1 1 1 -7  17 34 o 29.78884 0.6861063 8.895673       0.4076305 8.643691       0.5941712 9.119722       0.5602741 -0.8002625     1.372213  
1 1 1 -7  17 35 o 64.75453 0.8201911 41.59863       1.055082  45.15182       1.608948  38.91795       1.397513  4.803585       1.640382  
1 1 1 -7  17 36 f 56.90910 0.7715877 32.35834       0.8766014 33.42012       1.286671  31.43859       1.197527  1.736500       1.543175  
1 1 1 -7  17 37 o 44.05312 0.7090863 19.41949       0.6240054 19.55928       0.9063275 19.29350       0.8604155 0.2993774      1.418173  
1 1 1 -7  17 38 o 96.50275 1.099493  93.27201       2.120821  90.81972       2.937929  95.94045       3.064671  -2.642883      2.198986  
1 1 1 -7  17 39 o 89.51549 1.037409  80.33369       1.857193  80.16554       2.638021  80.49893       2.615065  -0.1881866     2.074819  
1 1 1 -7  17 40 o 26.38046 0.7620911 6.935574       0.3983541 7.211219       0.6112555 6.732079       0.5252016 0.9022388      1.524182  
1 1 1 -7  17 41 o 66.16377 0.8504949 43.64028       1.120540  46.20816       1.681258  41.58793       1.503043  3.476097       1.700990  
1 1 1 -7  17 42 o 57.72425 0.7971480 33.29306       0.9190341 31.36226       1.262473  35.46975       1.340450  -3.551254      1.594296  
1 1 1 -7  17 43 o 12.47959 1.445072  1.752165       0.3247191 0.8754529      0.4783158 2.501638       0.4422465 -6.623668      2.890144  
1 1 1 -7  17 44 o 66.17143 0.8624504 43.87613       1.141032  42.46449       1.593279  45.36239       1.634848  -2.185226      1.724901  
1 1 1 -7  17 45 o 53.87682 0.7894489 28.91284       0.8465016 30.88421       1.275459  27.36092       1.131667  3.254517       1.578898  
1 1 1 -7  17 46 o 52.98071 0.7936439 28.14474       0.8406733 27.29043       1.188437  29.00036       1.189346  -1.613636      1.587288  
1 1 1 -7  17 47 o 36.26830 0.7633774 13.15304       0.5519887 13.57820       0.8187919 12.79882       0.7473504 1.066483       1.526755  
1 1 1 -7  17 48 o 58.57368 0.8351304 34.42274       0.9778898 34.15519       1.401116  34.67685       1.365463  -0.4499969     1.670261  
1 1 1 -7  17 49 o 26.57758 1.322626  7.288139       0.6864906 6.048048       1.027762  8.287100       0.9224434 -4.236219      2.645252  
1 1 1 -7  17 50 f 29.71246 1.022065  8.580082       0.5888007 7.764330       0.7333445 10.05993       0.9877275 -3.816866      2.044131  
1 1 1 -7  17 51 o 42.24907 0.8390756 17.92354       0.7087127 18.46499       1.000455  17.37813       1.004097  1.286831       1.678151  
1 1 1 -7  17 52 o 99.04671 1.414004  100.2956       2.702063  103.5974       3.432169  94.91304       4.382187  4.649742       2.828008  
1 1 1 -7  17 53 f 18.23868 1.538656  3.386570       0.5593323 3.208339       0.8109419 3.548301       0.7724889 -0.9451790     3.077311  
1 1 1 -7  17 54 o 6.610313 2.014552  -0.5236745E-01 0.4812603 0.6013218E-01  0.7233890 -0.1416989     0.6446123 0.8531785      4.029105  
1 1 1 -7  17 55 f 12.43419 1.977717  1.729732       0.5094418 0.8034585      0.7686386 2.455404       0.6803350 -6.212795      3.955435  
1 1 1 -7  17 56 o 72.27589 1.665861  52.01023       2.212751  56.38361       4.089876  50.20028       2.631087  3.692642       3.331723  
1 1 1 -7  18 1  o 108.7580 1.192521  118.3326       2.593924  118.4059       3.670301  118.2595       3.666427  0.6728363E-01  2.385042  
1 1 1 -7  18 2  o 148.3643 1.705436  220.9211       5.037602  227.6858       6.869364  213.0501       7.409781  4.941895       3.410871  
1 1 1 -7  18 3  o 44.71510 0.8445922 20.02886       0.6933195 20.07512       0.8301224 19.92218       1.260710  0.1747093      1.689184  
1 1 1 -7  18 4  o 126.1562 1.938241  159.2644       4.888920  161.8391       7.020188  156.8398       6.812444  1.977188       3.876483  
1 1 1 -7  18 5  o 142.3671 2.163855  202.4932       6.149205  195.8940       8.388157  210.1599       9.041080  -4.995499      4.327710  
1 1 1 -7  18 6  o 88.69569 1.438763  78.71793       2.552225  79.05564       3.610064  78.38049       3.608719  0.3805771      2.877525  
1 1 1 -7  18 7  o 117.7339 1.562518  140.0483       3.520668  134.0257       5.842340  143.4825       4.411677  -4.039612      3.125036  
1 1 1 -7  18 8  o 137.1228 1.470488  188.0734       4.031416  190.9881       5.791516  185.3336       5.615141  2.059036       2.940977  
1 1 1 -7  18 9  o 70.90857 0.8510959 50.29160       1.206995  50.33487       1.704903  50.24811       1.709001  0.6121063E-01  1.702192  
1 1 1 -7  18 10 o 292.2140 3.050317  856.1284       17.82248  866.9824       25.54764  845.8381       24.87538  3.595276       6.100633  
1 1 1 -7  18 11 o 232.8680 2.439829  542.4449       11.34770  527.8146       15.57005  559.0207       16.57302  -6.672760      4.879657  
1 1 1 -7  18 12 f 66.54546 0.8153692 44.03564       1.081066  41.48710       1.453608  47.18990       1.617152  -4.283348      1.630738  
1 1 1 -7  18 13 o 99.55135 1.109356  99.09579       2.207858  97.48985       3.070131  100.8159       3.177397  -1.669098      2.218712  
1 1 1 -7  18 14 o 174.1210 1.842969  303.2728       6.413176  296.9339       8.866114  310.2289       9.287774  -3.808044      3.685938  
1 1 1 -7  18 15 o 116.3417 1.269360  135.4210       2.953330  136.5075       4.210561  134.3689       4.143524  0.9180145      2.538721  
1 1 1 -7  18 16 o 130.3049 1.407395  168.9107       3.650150  179.9455       5.496062  160.2024       4.882432  7.563332       2.814791  
1 1 1 -7  18 17 o 95.11449 1.312006  89.71667       2.327927  92.79571       4.150614  88.30360       2.811816  2.334770       2.624013  
1 1 1 -7  18 18 o 68.39680 1.172838  46.00687       1.586016  41.80083       2.061742  52.10372       2.482278  -7.523781      2.345676  
1 1 1 -7  18 19 o 52.96059 1.027829  26.89657       1.064424  22.57105       1.344825  34.15106       1.741606  -10.92580      2.055657  
1 1 1 -7  18 20 o 211.3090 2.728494  447.5810       10.85182  446.2589       13.25986  450.2624       18.88408  -0.6669617     5.456987  
1 1 1 -7  18 21 o 161.0737 1.714190  259.8115       5.520681  263.3823       7.920257  256.4371       7.699278  2.147995       3.428379  
1 1 1 -7  18 22 o 105.6588 1.167699  111.7280       2.467378  112.3144       3.513930  111.1578       3.465376  0.5460434      2.335398  
1 1 1 -7  18 23 o 44.14784 0.6875742 18.66677       0.5930327 23.71084       0.9739332 15.69465       0.7476050 9.074978       1.375148  
1 1 1 -7  18 24 o 134.5347 1.449866  181.2696       3.900704  182.7328       5.566520  179.8579       5.467665  1.064499       2.899731  
1 1 1 -7  18 25 o 48.65301 0.7018818 23.09838       0.6742358 19.95153       0.8737337 27.73070       1.060085  -7.990475      1.403764  
1 1 1 -7  18 26 o 64.90508 0.8086460 42.07322       1.048238  43.59599       1.532289  40.73368       1.437146  2.202431       1.617292  
1 1 1 -7  18 27 o 155.4402 1.660861  241.8360       5.155431  249.9051       7.544517  234.7676       7.061219  4.841125       3.321723  
1 1 1 -7  18 28 o 195.2740 2.068208  383.1399       8.076759  385.8714       11.50604  380.4865       11.34029  1.365005       4.136416  
1 1 1 -7  18 29 o 78.33176 0.9291952 61.11784       1.450582  57.96668       1.954249  64.98431       2.164724  -4.470726      1.858390  
1 1 1 -7  18 30 o 56.39142 0.7513434 31.76334       0.8460738 32.85425       1.238624  30.80908       1.158454  1.810581       1.502687  
1 1 1 -7  18 31 o 54.54465 0.7387530 29.69574       0.8042443 30.94391       1.184037  28.62662       1.095825  2.120968       1.477506  
1 1 1 -7  18 32 o 64.35549 0.8151538 40.98550       1.042270  37.46692       1.380466  45.65051       1.589529  -6.349049      1.630308  
1 1 1 -7  18 33 o 39.65022 0.6778734 15.69925       0.5360249 16.15592       0.7930509 15.31515       0.7273151 1.057766       1.355747  
1 1 1 -7  18 34 f 43.20242 0.6906553 18.48124       0.5925213 20.32412       0.9061841 17.10490       0.7831244 3.720562       1.381311  
1 1 1 -7  18 35 o 67.14084 1.105698  44.90924       1.442987  46.35201       2.351232  44.03749       1.827660  1.683670       2.211396  
1 1 1 -7  18 36 o 49.04810 0.7338384 23.98949       0.7183657 22.09771       0.9834613 26.15342       1.051826  -4.130894      1.467677  
1 1 1 -7  18 37 f 38.72848 0.7053745 14.82883       0.5422223 12.59844       0.7258777 17.64447       0.8155719 -6.509655      1.410749  
1 1 1 -7  18 38 o 45.56283 0.7141378 20.71762       0.6487948 21.61494       0.9629869 19.97175       0.8779647 1.798042       1.428276  
1 1 1 -7  18 39 o 34.13683 0.7175543 11.61303       0.4853530 9.557805       0.6627103 13.99075       0.7128101 -6.489552      1.435109  
1 1 1 -7  18 40 o 69.56847 0.8762879 48.49207       1.218623  48.95326       1.755011  48.06267       1.693424  0.6344833      1.752576  
1 1 1 -7  18 41 o 19.88180 0.9025062 3.872513       0.3541832 4.867878       0.5462407 3.150474       0.4652356 4.311152       1.805012  
1 1 1 -7  18 42 o 38.47574 0.7248275 14.76406       0.5551084 15.47271       0.8339763 14.20034       0.7438202 1.645798       1.449655  
1 1 1 -7  18 43 o 8.787313 1.720945  0.8090367      0.3131124 0.7239184      0.4723418 0.8757604      0.4182006 -0.6987028     3.441890  
1 1 1 -7  18 44 o 7.354261 1.805239  0.4884450      0.3228183 0.5288932      0.4913523 0.4577255      0.4282030 0.5146585      3.610478  
1 1 1 -7  18 45 o 31.19169 0.7687679 9.756273       0.4780248 9.699181       0.7039157 9.805138       0.6512142 -0.1755409     1.537536  
1 1 1 -7  18 46 o 49.55102 1.001100  24.92099       0.9084704 23.98596       1.643947  25.33207       1.090029  -1.437500      2.002201  
1 1 1 -7  18 47 o 23.86604 1.342326  5.574134       0.6305225 6.760651       1.006502  4.807733       0.8089202 4.048752       2.684651  
1 1 1 -7  18 48 o 7.504524 1.826557  0.5093651      0.3467682 0.2120075      0.5317306 0.7294208      0.4574235 -1.843148      3.653113  
1 1 1 -7  18 49 o 15.40837 1.247171  2.354414       0.3799764 2.921015       0.5756081 1.916810       0.5058588 3.243267       2.494343  
1 1 1 -7  18 50 o 24.79041 0.9174880 6.226373       0.4502880 5.712173       0.6688285 6.652666       0.6089780 -1.907330      1.834976  
1 1 1 -7  18 51 o 20.19566 1.080750  4.092228       0.4357998 4.403074       0.6370200 3.818751       0.5975042 1.438076       2.161500  
1 1 1 -7  18 52 o 21.07958 1.235535  4.322019       0.5112385 3.518281       0.6553109 5.571926       0.8172010 -4.826462      2.471070  
1 1 1 -7  18 53 o 51.31193 1.154309  26.36420       1.179904  28.72875       1.767240  24.46245       1.584888  4.109810       2.308618  
1 1 1 -7  18 54 o 10.81569 2.217069  1.214734       0.5116256 1.524735       0.7551326 0.9516696      0.6956213 2.225344       4.434138  
1 1 1 -7  18 55 o 31.03063 1.202468  9.735559       0.7449281 9.059837       1.052619  10.41352       1.054358  -2.180685      2.404937  
1 1 1 -7  19 1  o 177.5339 1.877643  314.6749       6.651296  328.0077       9.817591  303.3634       9.042809  6.923019       3.755286  
1 1 1 -7  19 2  o 194.5880 2.050195  378.9735       7.974999  372.6702       11.07394  385.7647       11.49451  -3.354294      4.100389  
1 1 1 -7  19 3  o 84.20190 0.9669133 70.56275       1.622546  75.07193       2.421843  66.89053       2.185559  4.855453       1.933827  
1 1 1 -7  19 4  o 186.4879 1.968037  347.1387       7.320651  334.1542       9.927657  362.6139       10.83807  -7.608765      3.936074  
1 1 1 -7  19 5  o 60.56987 0.7754298 36.65908       0.9388608 37.82429       1.354706  35.58221       1.302341  1.850330       1.550860  
1 1 1 -7  19 6  o 279.9779 2.925853  784.3559       16.35017  758.8944       22.28923  814.0164       24.05709  -9.780334      5.851707  
1 1 1 -7  19 7  o 132.1818 1.757402  174.2107       4.340908  172.9603       5.262175  176.8739       7.679759  -1.428070      3.514804  
1 1 1 -7  19 8  o 276.6302 4.106005  769.4507       22.70496  756.3609       31.50542  783.5951       32.75006  -4.856995      8.212010  
1 1 1 -7  19 9  o 124.1346 1.913160  154.2882       4.749392  155.5362       6.769728  153.0785       6.664810  0.9872818      3.826321  
1 1 1 -7  19 10 o 243.6835 3.624204  595.3525       17.62477  575.5060       23.99866  618.5900       25.96806  -8.741943      7.248408  
1 1 1 -7  19 11 o 120.8363 1.869605  146.2102       4.518000  145.2959       6.344373  147.1510       6.435433  -0.7651138     3.739211  
1 1 1 -7  19 12 o 60.97887 0.9615838 37.23638       1.100209  37.09054       1.922283  37.30743       1.341697  -0.1861305     1.923168  
1 1 1 -7  19 13 o 108.7060 1.299553  117.4605       2.771900  122.2835       4.405968  114.3011       3.566039  3.654510       2.599107  
1 1 1 -7  19 14 o 177.6302 2.657661  316.2953       9.435733  310.0432       13.06970  323.1016       13.63663  -3.651489      5.315321  
1 1 1 -7  19 15 o 287.0822 4.261412  831.0676       24.46437  823.8705       34.27131  838.5457       34.93390  -2.509033      8.522824  
1 1 1 -7  19 16 o 153.3311 2.311432  235.7046       7.087580  237.6131       10.10949  233.8598       9.939375  1.216965       4.622865  
1 1 1 -7  19 17 o 44.48960 0.8270344 20.18507       0.7065218 21.31391       0.8972579 18.34300       1.146183  3.342812       1.654069  
1 1 1 -7  19 18 o 151.9100 1.622339  231.0272       4.927137  234.7805       7.085582  227.5131       6.856132  2.384094       3.244678  
1 1 1 -7  19 19 o 99.65746 1.113220  98.62670       2.205402  92.85278       2.931108  106.1606       3.348154  -6.666229      2.226440  
1 1 1 -7  19 20 o 76.15864 0.8987328 58.02089       1.368772  57.14386       1.918575  58.93002       1.953366  -1.171906      1.797466  
1 1 1 -7  19 21 o 82.62688 0.9569248 68.27265       1.580498  69.66609       2.280826  66.98547       2.192134  1.619858       1.913850  
1 1 1 -7  19 22 o 52.06651 0.7182521 26.74159       0.7415090 30.03496       1.144029  24.35570       0.9737381 5.450214       1.436504  
1 1 1 -7  19 23 o 78.39717 0.9223400 61.10945       1.439271  65.47729       2.167595  57.66517       1.924835  4.975136       1.844680  
1 1 1 -7  19 24 o 101.5284 1.131352  102.6224       2.287051  109.1738       3.435321  97.40726       3.065019  5.780518       2.262703  
1 1 1 -7  19 25 o 65.50090 0.8141755 42.93118       1.066480  43.04276       1.519794  42.82293       1.496928  0.1671371      1.628351  
1 1 1 -7  19 26 o 206.2451 2.180188  427.6646       8.991706  423.6002       12.58607  431.9015       12.85044  -1.988617      4.360376  
1 1 1 -7  19 27 o 27.73887 0.6910982 7.729837       0.3818234 7.059804       0.5471105 8.366044       0.5331210 -2.354961      1.382196  
1 1 1 -7  19 28 o 198.7853 2.105810  397.3955       8.370975  401.0447       11.95519  393.8857       11.72487  1.778198       4.211620  
1 1 1 -7  19 29 o 111.0711 1.229280  123.3760       2.726318  127.8779       3.995028  119.4519       3.729814  3.776939       2.458560  
1 1 1 -7  19 30 o 122.4352 1.337415  150.2280       3.273461  152.7421       4.714537  147.8876       4.548662  1.970718       2.674830  
1 1 1 -7  19 31 o 10.65294 1.330365  1.117754       0.2713038 1.610815       0.4244177 0.7770617      0.3527966 4.050101       2.660731  
1 1 1 -7  19 32 o 17.11543 0.8788147 2.938324       0.2984252 2.891018       0.4495053 2.975608       0.3990579 -0.2497349     1.757629  
1 1 1 -7  19 33 o 113.3400 1.253706  128.8426       2.841825  129.0681       4.035320  128.6207       4.002774  0.1946487      2.507412  
1 1 1 -7  19 34 o 65.33348 1.189514  42.57516       1.546359  44.97887       2.330398  40.68414       2.066986  3.264809       2.379029  
1 1 1 -7  19 35 o 16.35063 0.9804641 2.535137       0.3091643 3.763128       0.5006415 1.778171       0.3930674 6.062216       1.960928  
1 1 1 -7  19 36 o 31.61320 0.7217611 10.00692       0.4522794 8.307755       0.6260332 11.86204       0.6541311 -5.619846      1.443522  
1 1 1 -7  19 37 f 69.38898 0.8681095 48.11075       1.201713  49.97481       1.775697  46.53560       1.632301  2.467110       1.736219  
1 1 1 -7  19 38 o 30.51373 0.7370132 9.351868       0.4477442 8.318232       0.6326022 10.38946       0.6338115 -3.393839      1.474026  
1 1 1 -7  19 39 o 18.01976 0.9431351 3.198424       0.3368559 3.813388       0.5161229 2.742071       0.4446088 2.965532       1.886270  
1 1 1 -7  19 40 f 73.04750 0.9063326 53.30676       1.321497  50.45703       1.801251  56.62860       1.944744  -4.209785      1.812665  
1 1 1 -7  19 41 o 38.02218 0.7273782 14.39632       0.5504007 15.32357       0.8292844 13.66628       0.7358359 2.171154       1.454756  
1 1 1 -7  19 42 o 40.72147 0.7380691 16.60877       0.5999091 16.72449       0.8779021 16.50741       0.8216845 0.2611160      1.476138  
1 1 1 -7  19 43 o 71.70160 0.9082315 51.57714       1.302361  51.07553       1.844656  52.07566       1.838991  -0.6981277     1.816463  
1 1 1 -7  19 44 o 31.25104 1.154069  9.604394       0.7065185 10.86078       1.144445  8.830698       0.8980882 3.207130       2.308138  
1 1 1 -7  19 45 o 82.37110 1.429852  68.40179       2.353215  69.04853       3.411902  67.81499       3.249901  0.7145233      2.859703  
1 1 1 -7  19 46 o 65.16154 0.8725503 42.62034       1.136889  41.83432       1.613443  43.39546       1.602224  -1.199509      1.745101  
1 1 1 -7  19 47 o 52.93281 0.8088232 28.13424       0.8554709 27.35153       1.225137  28.87899       1.195060  -1.447117      1.617646  
1 1 1 -7  19 48 o 21.11017 0.9860309 4.513498       0.4127690 4.116454       0.6069631 4.855109       0.5630000 -1.757227      1.972062  
1 1 1 -7  19 49 o 35.25179 0.8060439 12.07312       0.5587054 14.86340       0.8946169 10.28899       0.7153631 6.460144       1.612088  
1 1 1 -7  19 50 o 25.21168 0.9216976 6.416201       0.4625996 5.935482       0.6695483 6.855273       0.6398885 -1.829655      1.843395  
1 1 1 -7  19 51 f 43.75651 0.8583979 19.17295       0.7494823 21.09750       1.092005  17.45902       1.030522  4.145882       1.716796  
1 1 1 -7  19 52 o 7.467299 1.990927  0.3021841      0.4368254 0.7864069      0.6299357 -0.1463425     0.6062724 2.993131       3.981853  
1 1 1 -7  19 53 o 41.59600 1.124734  17.45288       0.9354485 16.91108       1.314997  18.00794       1.330996  -1.314030      2.249467  
1 1 1 -7  19 54 o 9.576963 2.212337  0.8811848      0.5238380 0.3171346      0.7784483 1.347983       0.7081668 -3.331542      4.424673  
1 1 1 -7  20 1  o 61.96353 0.7827265 38.32560       0.9688637 40.05954       1.412797  36.78617       1.331200  2.640343       1.565453  
1 1 1 -7  20 2  o 107.4233 1.183028  115.4651       2.541619  116.1226       3.611485  114.8198       3.577539  0.6057053      2.366056  
1 1 1 -7  20 3  o 210.7922 2.216722  444.4377       9.329626  431.1208       12.75895  459.7400       13.67701  -6.756119      4.433444  
1 1 1 -7  20 4  f 77.71844 0.9120234 60.05414       1.411754  64.40220       2.117182  56.57304       1.894388  5.033638       1.824047  
1 1 1 -7  20 5  o 173.7432 1.840160  301.3282       6.376406  289.7973       8.639272  315.1262       9.450421  -7.265350      3.680320  
1 1 1 -7  20 6  o 176.3460 1.867358  311.4719       6.586022  311.5039       9.313478  311.4398       9.314605  0.1818848E-01  3.734716  
1 1 1 -7  20 7  o 137.5325 1.477867  188.3394       4.047325  179.3121       5.427862  199.6439       6.074059  -7.376129      2.955734  
1 1 1 -7  20 8  o 208.1834 2.191058  434.3670       9.122815  433.7028       12.88394  435.0349       12.91935  -0.3186646     4.382116  
1 1 1 -7  20 9  o 98.82478 1.105315  97.34016       2.178165  93.08949       2.946414  102.4626       3.234479  -4.736969      2.210630  
1 1 1 -7  20 10 o 138.4259 1.818153  192.0540       4.757358  191.5348       8.192393  192.3181       5.843597  -0.3555603     3.636306  
1 1 1 -7  20 11 o 141.0727 2.134071  198.8428       6.005501  191.2142       8.147581  207.9181       8.886578  -5.891830      4.268141  
1 1 1 -7  20 12 f 88.53627 1.713673  79.99272       2.961556  86.90716       3.896936  70.53949       4.556537  9.264854       3.427346  
1 1 1 -7  20 13 o 123.0007 1.894758  151.4493       4.661130  151.4493       4.661130  ?              ?         ?              ?         
1 1 1 -7  20 14 o 157.7869 2.390074  249.1828       7.526470  259.5163       11.08653  240.3489       10.25062  6.030457       4.780149  
1 1 1 -7  20 15 o 177.2350 2.667107  315.4052       9.450132  310.6054       13.13927  320.5487       13.60174  -2.777100      5.334213  
1 1 1 -7  20 16 o 30.90155 0.9722124 9.546270       0.6003398 10.12381       0.8622465 9.002882       0.8363625 1.813116       1.944425  
1 1 1 -7  20 17 o 130.1182 1.999840  169.7558       5.203266  167.9422       7.271925  171.6584       7.448303  -1.419037      3.999680  
1 1 1 -7  20 18 o 31.12278 0.8249628 9.334935       0.4805401 10.69353       0.8701617 8.738794       0.5764059 3.133675       1.649926  
1 1 1 -7  20 19 o 20.27280 0.8009098 4.139713       0.3192779 3.224605       0.4453652 5.107276       0.4579520 -4.643045      1.601820  
1 1 1 -7  20 20 o 68.65701 0.8435884 47.15952       1.158237  47.78095       1.653147  46.56036       1.623250  0.8880844      1.687177  
1 1 1 -7  20 21 o 84.94440 0.9778403 71.71417       1.652377  76.97676       2.497591  67.61774       2.203559  5.499207       1.955681  
1 1 1 -7  20 22 f 79.40959 0.9286889 63.09869       1.474614  63.76389       2.111681  62.46557       2.060114  0.8157883      1.857378  
1 1 1 -7  20 23 o 140.9403 1.517424  197.4755       4.247649  212.9067       6.481126  185.8565       5.623843  9.545120       3.034847  
1 1 1 -7  20 24 o 79.59088 0.9335802 63.40937       1.485948  63.81565       2.118665  63.01603       2.084645  0.5009537      1.867160  
1 1 1 -7  20 25 o 74.55708 0.8916952 55.24430       1.322745  59.46377       1.997945  51.95163       1.764937  5.028435       1.783390  
1 1 1 -7  20 26 o 72.16487 0.8766347 51.72945       1.258384  48.49651       1.676847  55.89741       1.903956  -5.118362      1.753269  
1 1 1 -7  20 27 o 78.74023 0.9274231 62.01455       1.459628  60.35630       2.021667  63.82016       2.109591  -2.195442      1.854846  
1 1 1 -7  20 28 o 80.01997 0.9431719 63.48766       1.499212  59.01845       1.984545  69.42877       2.288126  -6.489571      1.886344  
1 1 1 -7  20 29 o 113.3370 1.251228  128.6869       2.834964  126.2201       3.938958  131.3380       4.083431  -2.247879      2.502456  
1 1 1 -7  20 30 o 60.94784 0.7954924 36.58059       0.9606453 32.87320       1.258120  41.76420       1.487663  -7.283119      1.590985  
1 1 1 -7  20 31 f 38.75517 0.6855889 15.03108       0.5306872 15.06908       0.7712242 14.99691       0.7313707 0.9128571E-01  1.371178  
1 1 1 -7  20 32 o 92.51003 1.501053  85.96228       2.776799  86.05075       3.963712  85.87702       3.891264  0.8626556E-01  3.002105  
1 1 1 -7  20 33 o 62.45248 1.146270  39.00503       1.429549  37.27605       1.956464  40.98545       2.093903  -2.958302      2.292541  
1 1 1 -7  20 34 o 29.27552 0.7126501 8.545670       0.4149852 8.900831       0.6253759 8.266236       0.5547131 1.079733       1.425300  
1 1 1 -7  20 35 o 35.84694 0.7030646 12.89531       0.5028871 12.14131       0.7206852 13.61084       0.7020602 -2.050854      1.406129  
1 1 1 -7  20 36 o 37.99461 0.7078930 14.47156       0.5367450 13.31879       0.7567225 15.63876       0.7614435 -3.052704      1.415786  
1 1 1 -7  20 37 o 48.14256 0.7406132 23.08813       0.7109438 20.88323       0.9681161 25.66902       1.047412  -4.964321      1.481226  
1 1 1 -7  20 38 o 71.54606 0.8953485 51.31277       1.281129  50.71540       1.807399  51.91597       1.816212  -0.8381653     1.790697  
1 1 1 -7  20 39 o 97.11249 1.114714  94.28347       2.158648  89.61745       2.919180  99.91357       3.206603  -5.263741      2.229428  
1 1 1 -7  20 40 o 20.03085 0.9203569 3.978997       0.3662141 4.418694       0.5591187 3.648640       0.4846393 1.913549       1.840714  
1 1 1 -7  20 41 f 61.73401 1.030224  38.99047       1.205806  35.89090       2.018550  40.71019       1.503552  -3.972931      2.060447  
1 1 1 -7  20 42 o 72.04593 1.301145  52.16342       1.873288  49.65849       2.591488  54.90475       2.711011  -3.619484      2.602291  
1 1 1 -7  20 43 o 15.86666 1.553426  2.843312       0.4319245 3.630907       0.5618684 1.705509       0.6753309 6.290984       3.106853  
1 1 1 -7  20 44 o 85.41473 1.025654  73.28330       1.751773  73.48852       2.504002  73.08657       2.451591  0.2270966      2.051309  
1 1 1 -7  20 45 f 29.08625 0.8269747 8.454156       0.4794140 8.879875       0.7143053 8.105194       0.6467106 1.322138       1.653949  
1 1 1 -7  20 46 o 57.50864 0.8285303 32.94823       0.9476558 35.36649       1.434285  31.07464       1.262471  3.706379       1.657061  
1 1 1 -7  20 47 o 20.48668 1.008679  4.085144       0.4063784 5.028514       0.6502633 3.480597       0.5205513 3.754055       2.017359  
1 1 1 -7  20 48 o 37.04313 0.8002924 13.56475       0.5870633 15.23416       0.9116255 12.38191       0.7673556 3.827114       1.600585  
1 1 1 -7  20 49 o 27.93202 0.8786762 7.870704       0.4877216 7.497972       0.7217159 8.183998       0.6616737 -1.238937      1.757352  
1 1 1 -7  20 50 o 53.17543 0.8873122 28.45605       0.9419487 29.23865       1.304899  27.60456       1.361111  1.547554       1.774624  
1 1 1 -7  20 51 o 31.16297 1.147251  9.804136       0.7138605 9.158134       1.009293  10.45080       1.009810  -2.073902      2.294503  
1 1 1 -7  20 52 o 37.94917 1.114921  14.52008       0.8452265 14.68857       1.228218  14.36850       1.164951  0.4040718      2.229842  
1 1 1 -7  20 53 o 27.50236 1.779671  0.000000       0.000000  ?              ?         7.646497       0.9789034 ?              ?         
1 1 1 -7  21 1  o 115.9422 1.267124  133.9658       2.927688  128.0152       3.944523  141.2647       4.368637  -5.702202      2.534248  
1 1 1 -7  21 2  o 45.09093 0.6752214 20.14780       0.6060697 22.59388       0.9102691 18.19993       0.8122973 4.870895       1.350443  
1 1 1 -7  21 3  o 140.1990 1.507012  196.6461       4.222348  201.2398       6.117548  192.4668       5.835066  3.119629       3.014024  
1 1 1 -7  21 4  o 49.83075 0.7013952 24.65744       0.6963751 27.08387       1.040713  22.69024       0.9370679 4.406990       1.402790  
1 1 1 -7  21 5  o 163.7982 1.741898  268.7857       5.706188  267.4051       8.028349  270.1951       8.111835  -0.8485107     3.483797  
1 1 1 -7  21 6  o 142.9416 1.865572  205.9507       5.086338  200.7714       8.544367  208.7935       6.330116  -2.895447      3.731143  
1 1 1 -7  21 7  o 76.07822 1.248668  57.91101       1.899196  58.77947       2.731377  57.09812       2.642561  1.102547       2.497336  
1 1 1 -7  21 8  o 152.1376 2.293603  232.1858       6.977570  234.7986       9.983828  229.6910       9.755675  1.666779       4.587206  
1 1 1 -7  21 9  o 112.0704 1.729552  125.7943       3.875423  124.0036       5.400178  127.6958       5.564883  -1.640678      3.459104  
1 1 1 -7  21 10 o 172.7382 2.238450  300.2249       7.330849  302.0509       9.044759  296.7287       12.51580  1.721756       4.476899  
1 1 1 -7  21 11 o 78.47281 0.9210051 61.38744       1.441563  58.68832       1.953446  64.61502       2.136138  -3.772156      1.842010  
1 1 1 -7  21 12 f 64.83072 0.8090709 41.91963       1.046791  40.16737       1.424584  43.97612       1.543305  -2.935001      1.618142  
1 1 1 -7  21 13 f 88.21517 1.008336  77.23244       1.768023  72.41548       2.347739  83.54322       2.687231  -6.297867      2.016672  
1 1 1 -7  21 14 o 50.14845 0.7119415 25.14143       0.7137998 25.87311       1.025974  24.45502       0.9937292 1.413231       1.423883  
1 1 1 -7  21 15 o 15.56015 1.115731  2.509522       0.2936772 4.304883       0.4440919 1.114177       0.3915054 10.36582       2.231461  
1 1 1 -7  21 16 f 68.26670 0.8375718 46.59150       1.142900  47.82471       1.651093  45.45702       1.583626  1.732315       1.675144  
1 1 1 -7  21 17 o 154.5002 1.652160  239.2523       5.104010  236.3682       7.127125  242.2887       7.312775  -1.905777      3.304320  
1 1 1 -7  21 18 o 60.92458 0.7814196 37.08236       0.9511687 35.93015       1.309323  38.36995       1.384102  -2.000305      1.562839  
1 1 1 -7  21 19 o 20.41824 0.9528394 4.067811       0.3653664 3.881234       0.4411547 4.475283       0.6519441 -1.447458      1.905679  
1 1 1 -7  21 20 o 102.9460 1.631034  106.2976       3.358143  106.7486       4.759965  105.8507       4.738371  0.4347076      3.262068  
1 1 1 -7  21 21 o 52.01722 1.033055  27.00428       1.072620  25.71152       1.461876  28.51186       1.578674  -2.686466      2.066109  
1 1 1 -7  21 22 o 17.42304 1.199119  3.042178       0.4177105 3.102301       0.5874657 2.980699       0.5940532 0.3493290      2.398239  
1 1 1 -7  21 23 o 169.6630 2.571844  290.2361       8.723445  285.9698       12.13394  294.8002       12.55021  -2.552383      5.143688  
1 1 1 -7  21 24 o 144.1041 2.205291  208.9383       6.352447  205.4514       8.814020  212.7073       9.163606  -2.479706      4.410583  
1 1 1 -7  21 25 o 23.30586 0.8616468 5.243287       0.3757930 5.983248       0.6801496 4.918137       0.4508598 2.274836       1.723294  
1 1 1 -7  21 26 f 30.53222 0.7466596 9.493237       0.4454696 8.442196       0.6853294 10.26221       0.5862003 -2.984434      1.493319  
1 1 1 -7  21 27 o 78.47873 0.9295893 61.05300       1.449183  56.63359       1.918261  66.92876       2.211860  -6.543884      1.859179  
1 1 1 -7  21 28 o 33.19190 0.6732829 11.01720       0.4464061 11.18847       0.6496237 10.86395       0.6144692 0.4874191      1.346566  
1 1 1 -7  21 29 o 31.46459 0.6878225 9.926558       0.4313717 8.945238       0.6078168 10.92244       0.6123113 -3.141747      1.375645  
1 1 1 -7  21 30 o 9.756861 1.573456  1.079060       0.2936142 0.6458340      0.5231662 1.278257       0.3547509 -3.070673      3.146912  
1 1 1 -7  21 31 o 18.30209 0.9051322 3.382372       0.3263042 3.185359       0.4988788 3.529674       0.4313742 -0.9450760     1.810264  
1 1 1 -7  21 32 o 37.99055 0.9798036 14.45819       0.7441011 14.65979       1.072073  14.27080       1.033616  0.5089035      1.959607  
1 1 1 -7  21 33 o 35.22980 0.6987016 12.35157       0.4901955 13.20983       0.7357448 11.66649       0.6573437 2.185673       1.397403  
1 1 1 -7  21 34 o 51.89344 0.7493612 26.95700       0.7775033 26.06186       1.087507  27.89294       1.112014  -1.762543      1.498722  
1 1 1 -7  21 35 o 44.06586 0.7218255 19.39036       0.6346381 17.60098       0.8740027 21.38613       0.9230306 -4.291225      1.443651  
1 1 1 -7  21 36 o 34.52168 0.7241442 11.94102       0.4972878 10.36047       0.6925557 13.62331       0.7145000 -4.724106      1.448288  
1 1 1 -7  21 37 o 77.67396 0.9429969 60.41590       1.463732  58.27971       2.020905  62.77321       2.122921  -2.881561      1.885994  
1 1 1 -7  21 38 o 36.70715 0.7462347 13.51335       0.5441966 13.38268       0.8160585 13.61800       0.7302857 -0.3283501     1.492469  
1 1 1 -7  21 39 o 59.03447 1.162007  34.97785       1.370712  32.97647       1.903004  37.13575       1.976017  -3.511620      2.324013  
1 1 1 -7  21 40 o 62.56960 1.087227  39.46779       1.348441  40.46705       1.804330  38.20367       2.029419  1.841858       2.174454  
1 1 1 -7  21 41 f 62.27493 0.8427826 38.89279       1.049320  38.89883       1.503954  38.88706       1.464747  0.4734039E-02  1.685565  
1 1 1 -7  21 42 o 31.70547 0.7849516 10.10241       0.4958279 9.764089       0.7267565 10.39701       0.6781748 -1.003714      1.569903  
1 1 1 -7  21 43 o 34.56457 0.7664799 11.95230       0.5281717 12.29899       0.7833101 11.66326       0.7152203 0.9112473      1.532960  
1 1 1 -7  21 44 o 62.91364 0.8619540 39.73827       1.084244  39.09631       1.544071  40.36271       1.522856  -1.009663      1.723908  
1 1 1 -7  21 45 o 46.95609 0.7909097 22.01690       0.7393249 23.12170       1.110108  21.13627       0.9911087 2.097492       1.581819  
1 1 1 -7  21 46 o 26.67677 0.8692445 7.176115       0.4604554 6.850668       0.6844499 7.445176       0.6223373 -1.124331      1.738489  
1 1 1 -7  21 47 o 41.57039 0.7950884 17.29267       0.6586172 17.89952       0.9808978 16.79447       0.8887548 1.314545       1.590177  
1 1 1 -7  21 48 o 20.08601 1.036456  4.033621       0.4119606 4.243981       0.6368846 3.882290       0.5401855 0.8786392      2.072912  
1 1 1 -7  21 49 o 33.52206 0.8376371 11.12882       0.5565547 12.46303       0.8602766 10.16843       0.7298755 3.398422       1.675274  
1 1 1 -7  21 50 o 27.55884 1.200436  7.589799       0.6552661 9.238826       0.9767200 6.240129       0.8836295 5.414715       2.400872  
1 1 1 -7  21 51 o 14.11847 2.023365  2.107852       0.5473850 2.215511       0.8365666 2.027251       0.7238485 0.5662756      4.046731  
1 1 1 -7  21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  22 1  o 111.6213 1.226536  124.6482       2.736373  122.1275       3.788640  127.3970       3.956445  -2.354393      2.453071  
1 1 1 -7  22 2  o 96.21916 1.322176  91.04426       2.353906  97.09016       4.290813  88.44138       2.815374  4.438362       2.644351  
1 1 1 -7  22 3  f 76.43158 1.245790  58.45464       1.903385  57.38268       2.641514  59.61229       2.745058  -1.454826      2.491581  
1 1 1 -7  22 4  o 25.45019 0.8604602 6.444571       0.4367362 5.952989       0.5920053 7.031577       0.6469179 -2.117643      1.720920  
1 1 1 -7  22 5  o 91.45044 1.448294  82.98532       2.629318  77.69083       3.473066  90.09415       4.024388  -6.758011      2.896588  
1 1 1 -7  22 6  o 84.91042 1.186425  71.86195       1.896205  71.24190       2.313538  73.13091       3.309730  -1.077675      2.372851  
1 1 1 -7  22 7  f 99.58165 1.113345  99.12585       2.214966  102.2432       3.224726  96.34152       3.047639  2.957253       2.226689  
1 1 1 -7  22 8  o 84.49616 0.9735014 71.45543       1.645136  71.50191       2.323641  71.40871       2.329516  0.5532837E-01  1.947003  
1 1 1 -7  22 9  o 142.5652 1.531350  203.1695       4.357599  211.3465       6.411291  196.1487       5.940728  5.307236       3.062699  
1 1 1 -7  22 10 o 44.87929 0.6885312 20.10775       0.6173601 21.19183       0.8977102 19.13499       0.8503702 2.290459       1.377062  
1 1 1 -7  22 11 f 165.7982 1.765179  275.3689       5.847592  282.7233       8.497365  268.7528       8.059487  4.187469       3.530358  
1 1 1 -7  22 12 o 41.17889 0.6772412 16.87600       0.5563054 18.41255       0.8216741 15.57558       0.7559039 3.443195       1.354482  
1 1 1 -7  22 13 o 45.12297 0.6848572 20.36643       0.6179993 20.08411       0.8669901 20.65804       0.8811477 -0.6356316     1.369714  
1 1 1 -7  22 14 o 100.7371 1.126945  101.3210       2.265601  97.49363       3.084039  105.8081       3.339246  -4.116669      2.253889  
1 1 1 -7  22 15 o 48.21444 0.6966974 23.24436       0.6715899 23.79553       0.9652531 22.72718       0.9350116 1.107124       1.393395  
1 1 1 -7  22 16 o 152.0723 1.629788  231.8290       4.954507  227.8464       6.879365  236.1209       7.141443  -2.703262      3.259576  
1 1 1 -7  22 17 o 139.5448 1.505287  195.2650       4.201031  195.8518       5.961309  194.6861       5.921205  0.4150391      3.010573  
1 1 1 -7  22 18 o 124.9328 1.362372  156.4380       3.403910  155.4637       4.783488  157.4374       4.844808  -0.7861328     2.724744  
1 1 1 -7  22 19 o 80.76035 0.9455941 65.03042       1.522957  68.72681       2.260225  61.95665       2.061096  4.182899       1.891188  
1 1 1 -7  22 20 o 54.47842 0.7473764 29.59426       0.8126372 31.38022       1.197203  28.06833       1.106620  3.036434       1.494753  
1 1 1 -7  22 21 o 83.11089 0.9709230 68.77035       1.607394  73.45162       2.408082  65.00845       2.158705  5.067459       1.941846  
1 1 1 -7  22 22 o 85.75319 0.9900400 73.63503       1.697815  74.12826       2.421136  73.15781       2.381501  0.5637970      1.980080  
1 1 1 -7  22 23 f 14.41663 1.215528  2.296056       0.2841535 0.8276535      0.3890577 3.974888       0.4160016 -11.02444      2.431055  
1 1 1 -7  22 24 f 64.72102 0.8174053 41.89386       1.057540  40.71591       1.467648  43.16597       1.525185  -1.890179      1.634811  
1 1 1 -7  22 25 o 56.41376 0.7592626 31.40012       0.8489507 35.25996       1.312581  28.62424       1.113120  5.872379       1.518525  
1 1 1 -7  22 26 o 34.12391 0.6916798 11.57091       0.4697821 10.12072       0.6373026 13.29662       0.6952128 -4.650888      1.383360  
1 1 1 -7  22 27 o 93.57622 1.322952  86.68916       2.291119  84.82182       2.745412  90.97317       4.158355  -3.157707      2.645905  
1 1 1 -7  22 28 o 66.11006 2.343223  43.94331       3.098212  43.94331       3.098212  ?              ?         ?              ?         
1 1 1 -7  22 29 o 49.41870 1.044214  24.45291       1.031475  23.71251       1.429341  25.25749       1.490000  -1.558365      2.088429  
1 1 1 -7  22 30 o 30.56134 1.009400  9.126671       0.6085380 11.49783       0.9447709 7.445400       0.7955459 6.617638       2.018800  
1 1 1 -7  22 31 o 18.60511 1.248049  3.476644       0.4641373 3.365858       0.6594774 3.585379       0.6533439 -0.5906124     2.496098  
1 1 1 -7  22 32 o 50.69514 1.048417  25.63955       1.059815  27.57069       1.574972  24.04152       1.432718  3.466610       2.096834  
1 1 1 -7  22 33 o 54.96464 1.087061  30.19612       1.192188  32.05062       1.761509  28.62867       1.619452  3.096912       2.174122  
1 1 1 -7  22 34 o 63.82712 1.172693  40.74070       1.493099  43.17747       2.211198  38.69847       2.024284  3.485435       2.345387  
1 1 1 -7  22 35 o 41.47514 0.8797970 17.06277       0.6775438 17.73203       1.219692  16.76406       0.8148316 1.127232       1.759594  
1 1 1 -7  22 36 o 75.06580 1.820561  0.000000       0.000000  ?              ?         56.66764       2.733238  ?              ?         
1 1 1 -7  22 37 o 17.66460 1.499388  2.962087       0.5135410 4.202305       0.8473499 2.242096       0.6456205 5.509446       2.998775  
1 1 1 -7  22 38 o 65.78056 0.8596185 43.39644       1.130791  42.62287       1.598941  44.17048       1.599419  -1.176285      1.719237  
1 1 1 -7  22 39 o 50.78297 0.7708704 25.59796       0.7774414 27.92488       1.187951  23.85477       1.028206  3.990143       1.541741  
1 1 1 -7  22 40 o 13.89810 1.374542  2.058625       0.3540447 1.432604       0.5198765 2.600083       0.4834909 -4.378351      2.749084  
1 1 1 -7  22 41 o 79.25005 0.9717296 63.00405       1.539455  61.06452       2.137820  65.09306       2.218668  -2.529633      1.943459  
1 1 1 -7  22 42 o 26.81535 0.8486922 7.149310       0.4504051 7.658694       0.6980298 6.785938       0.5895587 1.611626       1.697384  
1 1 1 -7  22 43 o 55.59846 0.8189386 31.02767       0.9102412 30.13569       1.291764  31.90736       1.282834  -1.594559      1.637877  
1 1 1 -7  22 44 o 25.88839 0.8810753 6.765955       0.4521312 6.411591       0.6758770 7.052974       0.6082731 -1.249411      1.762151  
1 1 1 -7  22 45 o 28.67569 0.8628519 8.336919       0.4900047 7.374321       0.7153141 9.187988       0.6725993 -3.169476      1.725704  
1 1 1 -7  22 46 o 20.05593 1.052425  4.153272       0.4109604 3.394764       0.6173288 4.756945       0.5507282 -3.409777      2.104849  
1 1 1 -7  22 47 o 35.20322 0.8213685 12.40113       0.5758534 12.90823       0.8614281 11.99144       0.7742839 1.286144       1.642737  
1 1 1 -7  22 48 o 40.29401 0.8083422 16.27442       0.6497657 16.68549       0.9585340 15.92494       0.8838212 0.9302940      1.616684  
1 1 1 -7  22 49 o 28.03222 1.192595  7.947505       0.6671647 7.668323       0.9650639 8.203070       0.9233451 -0.9656715     2.385190  
1 1 1 -7  22 50 o 19.64942 1.481880  3.939657       0.5793763 3.574722       0.8326647 4.282167       0.8066769 -1.809729      2.963760  
1 1 1 -7  22 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  23 1  o 91.33925 1.442685  83.58894       2.635070  84.56623       3.766832  82.65237       3.687537  1.043526       2.885370  
1 1 1 -7  23 2  o 90.81665 1.259300  81.23547       2.119823  79.05048       2.540064  86.24936       3.847754  -3.904930      2.518601  
1 1 1 -7  23 3  o 48.28725 0.6938613 23.26429       0.6691259 24.57265       0.9786361 22.11567       0.9169472 2.542591       1.387723  
1 1 1 -7  23 4  o 150.3902 1.610276  226.7112       4.842428  229.5343       6.932285  224.0210       6.767155  1.823441       3.220551  
1 1 1 -7  23 5  o 62.74197 0.7899203 39.39096       0.9912173 39.47797       1.400461  39.30363       1.403129  0.1390114      1.579841  
1 1 1 -7  23 6  o 177.9991 1.889552  317.9871       6.726259  315.9410       9.443152  320.0943       9.583124  -1.156937      3.779103  
1 1 1 -7  23 7  o 42.85972 0.6735429 18.37894       0.5772251 18.40357       0.8080107 18.35326       0.8248901 0.5912399E-01  1.347086  
1 1 1 -7  23 8  f 99.95738 1.117898  99.90138       2.232353  103.0981       3.251321  97.05042       3.070483  3.017296       2.235796  
1 1 1 -7  23 9  o 122.2646 1.332539  149.7607       3.258009  151.3184       4.653877  148.2635       4.562523  1.244446       2.665079  
1 1 1 -7  23 10 o 46.36808 0.6889750 21.40897       0.6373589 23.11268       0.9416928 19.96878       0.8658047 3.387974       1.377950  
1 1 1 -7  23 11 o 62.24516 0.7913202 38.53154       0.9809501 36.27643       1.315591  41.35517       1.472114  -4.074276      1.582640  
1 1 1 -7  23 12 o 113.4718 1.249195  128.9630       2.834186  130.9012       4.066259  127.1319       3.952453  1.654617       2.498390  
1 1 1 -7  23 13 f 29.96777 0.6698096 8.874118       0.3976231 10.81446       0.5969105 7.326293       0.5331276 5.817951       1.339619  
1 1 1 -7  23 14 o 32.66855 0.6622053 10.67297       0.4324997 10.26701       0.6048130 11.09780       0.6187178 -1.271118      1.324411  
1 1 1 -7  23 15 o 44.77843 0.6910048 19.39433       0.6078669 16.50347       0.7764521 23.97141       0.9770018 -8.332314      1.382010  
1 1 1 -7  23 16 o 51.01535 0.7155377 26.03951       0.7299957 25.75493       1.023584  26.33407       1.041386  -0.5669975     1.431075  
1 1 1 -7  23 17 o 41.64897 0.6777954 17.12449       0.5606775 19.53602       0.8553736 15.30786       0.7424073 5.072140       1.355591  
1 1 1 -7  23 18 o 51.59774 0.7243902 26.46593       0.7447037 28.72316       1.114026  24.64235       1.001309  3.950241       1.448780  
1 1 1 -7  23 19 o 32.61393 0.6761165 10.62732       0.4406680 10.14040       0.6097099 11.15984       0.6376243 -1.561878      1.352233  
1 1 1 -7  23 20 o 27.71159 0.7097322 7.564295       0.3881922 9.541383       0.5872220 6.029633       0.5173633 6.333567       1.419464  
1 1 1 -7  23 21 o 26.72026 0.7113010 7.108861       0.3791032 6.492133       0.5163460 7.830099       0.5583838 -2.501974      1.422602  
1 1 1 -7  23 22 f 91.49306 1.049267  83.64425       1.916202  80.56822       2.612252  87.22752       2.819427  -3.626320      2.098535  
1 1 1 -7  23 23 o 38.62494 0.6760207 14.88150       0.5208793 15.59863       0.7707655 14.27869       0.7066700 1.705853       1.352041  
1 1 1 -7  23 24 o 85.09363 0.9910858 72.37796       1.683882  69.73746       2.301877  75.41753       2.469710  -3.325935      1.982172  
1 1 1 -7  23 25 o 36.38548 0.6894687 13.23991       0.5009927 12.26311       0.6979533 14.27813       0.7195621 -2.767948      1.378937  
1 1 1 -7  23 26 o 131.5000 2.031875  173.1493       5.313836  163.3807       7.077755  185.7688       8.044532  -8.369560      4.063750  
1 1 1 -7  23 27 o 38.26417 0.6914595 14.56768       0.5271628 12.96404       0.7170199 16.45431       0.7777150 -4.557415      1.382919  
1 1 1 -7  23 28 f 68.41826 0.8574835 46.84985       1.172763  45.53782       1.627444  48.26717       1.691484  -1.989990      1.714967  
1 1 1 -7  23 29 o 8.790144 2.001868  0.7585884      0.4013928 0.6727020      0.5731166 0.8412774      0.5623468 -0.6726475     4.003735  
1 1 1 -7  23 30 o 42.53880 0.7030086 17.92295       0.5939988 19.79987       0.9073313 16.51517       0.7857974 3.852455       1.406017  
1 1 1 -7  23 31 o 39.33822 0.7079944 15.22648       0.5517985 17.61569       0.8542142 13.51560       0.7228539 5.201637       1.415989  
1 1 1 -7  23 32 f 50.58545 0.7471204 25.61372       0.7552020 26.04667       1.094859  25.22076       1.043057  0.8122139      1.494241  
1 1 1 -7  23 33 o 50.18742 1.060768  25.14410       1.059870  26.63370       1.592561  23.95982       1.420003  2.643078       2.121536  
1 1 1 -7  23 34 o 25.81181 1.140585  6.791946       0.5798770 5.862381       0.8572959 7.575929       0.7873071 -3.328842      2.281170  
1 1 1 -7  23 35 o 41.61802 0.7721467 17.32522       0.6409091 16.94037       0.8702713 17.78129       0.9473968 -1.002602      1.544293  
1 1 1 -7  23 36 o 53.66184 0.7817468 28.61814       0.8354260 25.92748       1.122717  31.95631       1.250533  -5.603924      1.563494  
1 1 1 -7  23 37 o 34.28382 0.7486938 11.83874       0.5106717 10.67220       0.7325985 12.94132       0.7122298 -3.311417      1.497388  
1 1 1 -7  23 38 o 49.16317 0.7729697 23.82677       0.7522154 27.06694       1.170924  21.54994       0.9815435 5.589542       1.545939  
1 1 1 -7  23 39 o 50.05983 0.9420499 25.35304       0.9070615 25.90756       1.143253  24.41092       1.490172  1.543179       1.884100  
1 1 1 -7  23 40 o 31.98693 0.9517476 10.42060       0.5920895 10.97142       0.7656029 9.600915       0.9339504 2.168524       1.903495  
1 1 1 -7  23 41 o 40.86756 0.9328565 16.85085       0.7366132 17.07954       0.9321746 16.47064       1.201973  0.7887955      1.865713  
1 1 1 -7  23 42 f 29.82736 1.020853  8.797410       0.5995542 8.170430       0.7718228 9.751410       0.9520605 -2.617567      2.041707  
1 1 1 -7  23 43 f 42.45298 1.076179  18.13500       0.9136515 17.91158       1.295134  18.35635       1.289084  -0.5250549     2.152359  
1 1 1 -7  23 44 o 60.55782 1.191790  36.94612       1.442996  37.75671       2.072544  36.18349       2.010290  1.284168       2.383580  
1 1 1 -7  23 45 o 57.74736 1.172421  33.44393       1.349786  31.41440       1.822203  35.91149       2.009247  -3.846806      2.344843  
1 1 1 -7  23 46 o 14.43979 1.863762  2.234109       0.5146185 1.711749       0.7627618 2.670542       0.6972089 -3.570966      3.727525  
1 1 1 -7  23 47 o 40.10930 1.106509  16.18389       0.8867485 16.97952       1.288765  15.46855       1.222000  1.866638       2.213017  
1 1 1 -7  23 48 o 55.71088 1.183904  31.34091       1.319063  30.92973       1.856627  31.75998       1.874372  -0.7399063     2.367807  
1 1 1 -7  23 49 o 52.30396 1.173584  27.45761       1.223440  29.54831       1.825186  25.75176       1.648661  3.578732       2.347167  
1 1 1 -7  23 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  24 1  o 15.63974 0.8604967 2.460924       0.2677759 2.665332       0.3717959 2.240614       0.3859873 1.358377       1.720993  
1 1 1 -7  24 2  o 79.15559 0.9288056 62.31949       1.463357  58.81981       1.956908  66.75903       2.204068  -5.004364      1.857611  
1 1 1 -7  24 3  o 42.96357 0.6746117 18.00945       0.5720522 15.60646       0.7401760 21.57382       0.9014702 -6.939667      1.349223  
1 1 1 -7  24 4  o 96.20122 1.084137  92.50247       2.082595  89.58232       2.850130  95.84772       3.050542  -3.246391      2.168274  
1 1 1 -7  24 5  o 86.48493 0.9942624 74.89270       1.719757  74.81468       2.426199  74.97147       2.438053  -0.9010315E-01 1.988525  
1 1 1 -7  24 6  o 84.53970 0.9798232 71.55979       1.656677  71.59854       2.341206  71.52094       2.344587  0.4605103E-01  1.959646  
1 1 1 -7  24 7  o 105.8930 1.176563  111.7293       2.481075  106.1797       3.328082  118.6722       3.722494  -5.876907      2.353126  
1 1 1 -7  24 8  f 23.40582 0.6956547 5.464835       0.3250704 5.053358       0.4467525 5.927809       0.4738840 -1.867130      1.391309  
1 1 1 -7  24 9  o 72.99181 0.8783558 53.15483       1.279421  55.96136       1.887551  50.76947       1.740172  3.550278       1.756712  
1 1 1 -7  24 10 o 37.03598 0.6671448 13.57212       0.4913550 12.21791       0.6545977 15.31985       0.7436518 -4.184837      1.334290  
1 1 1 -7  24 11 o 53.08824 0.7275302 28.01326       0.7695961 30.50551       1.150346  25.99400       1.035446  4.244900       1.455060  
1 1 1 -7  24 12 o 27.68364 0.6743237 7.612706       0.3719512 6.991184       0.5007194 8.377897       0.5555855 -2.502682      1.348647  
1 1 1 -7  24 13 o 63.42210 0.8062027 40.16113       1.020871  38.62043       1.394883  41.93827       1.498096  -2.611340      1.612405  
1 1 1 -7  24 14 o 108.7629 1.205451  118.0031       2.612674  124.7766       3.900136  112.4890       3.518955  5.624275       2.410903  
1 1 1 -7  24 15 f 74.68687 0.8946899 55.81912       1.335927  56.91830       1.921735  54.79117       1.858426  1.420959       1.789380  
1 1 1 -7  24 16 o 74.76559 0.8965811 55.18932       1.327807  61.52867       2.058569  50.67282       1.737580  7.244064       1.793162  
1 1 1 -7  24 17 o 40.03696 0.6821844 15.89887       0.5438144 17.87800       0.8141543 14.30455       0.7307308 4.459465       1.364369  
1 1 1 -7  24 18 f 62.08266 0.8010502 38.42434       0.9921511 40.83794       1.467872  36.39418       1.346233  3.573128       1.602100  
1 1 1 -7  24 19 o 58.86404 0.7797016 34.33792       0.9121992 37.81575       1.388119  31.69452       1.210196  5.190659       1.559403  
1 1 1 -7  24 20 o 35.01624 0.6920756 12.17821       0.4827745 13.65531       0.7187259 10.96384       0.6516801 3.840012       1.384151  
1 1 1 -7  24 21 o 78.21059 0.9345854 60.81672       1.454207  57.05999       1.939459  65.64094       2.197801  -5.468826      1.869171  
1 1 1 -7  24 22 o 42.15157 0.7132022 17.76166       0.6007226 18.33655       0.8721852 17.24279       0.8285903 1.295231       1.426404  
1 1 1 -7  24 23 o 107.9883 1.699333  117.2844       3.668967  118.4892       5.266905  116.1486       5.113885  1.064537       3.398666  
1 1 1 -7  24 24 o 43.30539 0.6994188 18.77024       0.6055318 18.91134       0.8700871 18.63772       0.8432460 0.3144302      1.398838  
1 1 1 -7  24 25 o 68.98660 0.8585345 47.44139       1.180244  50.31974       1.762437  45.10107       1.589206  3.769920       1.717069  
1 1 1 -7  24 26 o 30.54588 0.7159312 9.306911       0.4361978 9.811074       0.6463411 8.885236       0.5911064 1.512009       1.431862  
1 1 1 -7  24 27 o 87.88481 1.024724  77.08936       1.795207  73.20188       2.422059  81.82851       2.674244  -4.883415      2.049448  
1 1 1 -7  24 28 f 32.85751 0.7115179 10.83440       0.4665847 10.18772       0.6668205 11.45472       0.6530944 -1.929020      1.423036  
1 1 1 -7  24 29 f 44.66824 0.7221456 19.92128       0.6439258 18.34786       0.8852998 21.68876       0.9383075 -3.735653      1.444291  
1 1 1 -7  24 30 o 89.38104 1.471559  80.40702       2.629406  80.98198       3.781436  79.86879       3.658684  0.6029892      2.943118  
1 1 1 -7  24 31 o 25.95899 1.087434  6.725714       0.5592197 7.039694       0.8598499 6.495553       0.7361850 1.032495       2.174869  
1 1 1 -7  24 32 f 60.89671 0.9846467 37.01100       1.135797  36.59907       1.394023  37.82446       1.958960  -0.9386101     1.969293  
1 1 1 -7  24 33 o 20.27410 0.8983947 4.173280       0.3598031 3.613990       0.5261998 4.664400       0.4930894 -2.594357      1.796789  
1 1 1 -7  24 34 o 39.07708 0.7234111 15.26573       0.5638064 15.74963       0.8340182 14.85847       0.7651156 1.133514       1.446822  
1 1 1 -7  24 35 o 15.56195 1.085459  2.400036       0.3345633 2.665581       0.5188075 2.210992       0.4377426 1.448358       2.170918  
1 1 1 -7  24 36 o 58.57344 0.8122650 34.39674       0.9513518 33.43893       1.337260  35.37827       1.353720  -1.653522      1.624530  
1 1 1 -7  24 37 o 14.34688 1.230974  1.929135       0.3367154 3.042286       0.5564231 1.285979       0.4229471 6.096854       2.461949  
1 1 1 -7  24 38 o 27.05635 0.8172263 7.344337       0.4393192 7.332361       0.6598699 7.353871       0.5887733 -0.4925346E-01 1.634453  
1 1 1 -7  24 39 o 58.02607 0.8212013 33.03903       0.9386727 38.06894       1.493380  29.75391       1.206885  7.123569       1.642403  
1 1 1 -7  24 40 o 49.19207 0.7820311 24.27919       0.7680235 24.15852       1.118573  24.38681       1.056391  -0.2406311     1.564062  
1 1 1 -7  24 41 o 34.39726 0.7859489 11.85888       0.5387139 11.99406       0.7987164 11.74605       0.7296700 0.3505440      1.571898  
1 1 1 -7  24 42 o 27.28899 0.8775531 7.569717       0.4731016 6.581636       0.6928913 8.432692       0.6475419 -3.399353      1.755106  
1 1 1 -7  24 43 o 30.47416 0.8275716 9.264219       0.5006869 9.794382       0.7636512 8.864476       0.6631035 1.508703       1.655143  
1 1 1 -7  24 44 o 72.96178 0.9483758 53.35885       1.381480  50.45223       1.887367  56.71334       2.027575  -4.260948      1.896752  
1 1 1 -7  24 45 o 18.09398 1.149029  3.222914       0.4108387 3.901955       0.6414946 2.750719       0.5349403 3.153912       2.298058  
1 1 1 -7  24 46 o 18.89047 1.172992  3.732229       0.4267754 2.773736       0.6322795 4.534366       0.5784143 -4.674635      2.345984  
1 1 1 -7  24 47 o 37.38917 1.147859  14.05802       0.8560510 14.80117       1.268198  13.43599       1.160267  1.794540       2.295719  
1 1 1 -7  24 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  25 1  o 71.45291 0.8682230 51.04243       1.239718  52.86915       1.798495  49.38870       1.711212  2.431389       1.736446  
1 1 1 -7  25 2  o 79.76762 0.9390299 63.54229       1.494897  61.23322       2.035646  66.24513       2.202392  -3.133110      1.878060  
1 1 1 -7  25 3  o 55.30082 0.7467808 30.56911       0.8254027 31.72300       1.193904  29.51266       1.142390  1.996395       1.493562  
1 1 1 -7  25 4  o 32.40658 0.6555386 10.45019       0.4230950 11.90187       0.6222936 9.202284       0.5769673 4.163588       1.311077  
1 1 1 -7  25 5  o 46.17518 0.6898550 21.33820       0.6370471 21.54578       0.8994377 21.12925       0.9024108 0.4511337      1.379710  
1 1 1 -7  25 6  f 46.61412 0.6952494 21.56914       0.6449822 20.04136       0.8614680 23.51796       0.9729596 -3.724907      1.390499  
1 1 1 -7  25 7  o 54.62113 0.7424990 29.83333       0.8105395 29.19624       1.120991  30.53134       1.173353  -1.220028      1.484998  
1 1 1 -7  25 8  o 67.72724 0.8380065 45.55941       1.128996  42.64334       1.504534  49.31772       1.708043  -4.918030      1.676013  
1 1 1 -7  25 9  o 34.88862 0.6597348 12.16245       0.4598010 13.02804       0.6632146 11.36136       0.6380302 2.387665       1.319470  
1 1 1 -7  25 10 o 41.44757 0.6812769 16.98068       0.5612670 19.50088       0.8494615 15.02793       0.7477366 5.392017       1.362554  
1 1 1 -7  25 11 o 22.35579 0.7570183 4.987368       0.3347412 6.072860       0.4897444 4.035621       0.4585819 4.555065       1.514037  
1 1 1 -7  25 12 o 35.62099 0.6690896 12.68452       0.4763361 12.35482       0.6587037 13.04592       0.6896429 -0.9688606     1.338179  
1 1 1 -7  25 13 o 130.5460 1.419853  170.9915       3.706692  172.6105       5.290932  169.4309       5.194506  1.209427       2.839707  
1 1 1 -7  25 14 o 54.31639 0.7467839 29.53275       0.8112478 29.61921       1.146692  29.44610       1.147864  0.1594048      1.493568  
1 1 1 -7  25 15 o 142.9882 1.545218  205.1003       4.413805  199.7469       6.068749  211.1122       6.431129  -3.936340      3.090437  
1 1 1 -7  25 16 o 105.7772 1.182561  112.0764       2.499662  115.0304       3.625765  109.4007       3.450832  2.646645       2.365121  
1 1 1 -7  25 17 o 59.98240 0.7907302 35.97478       0.9477747 37.16476       1.375849  34.90015       1.307475  1.883934       1.581460  
1 1 1 -7  25 18 o 90.70167 1.464534  82.52826       2.654402  84.68311       3.851846  80.57948       3.663050  2.242737       2.929069  
1 1 1 -7  25 19 o 23.97500 1.070831  5.745924       0.5093141 4.797432       0.6998624 6.813774       0.7425930 -4.201769      2.141661  
1 1 1 -7  25 20 o 50.46960 0.7445536 25.27675       0.7480163 23.13477       1.000884  27.98681       1.125811  -4.799610      1.489107  
1 1 1 -7  25 21 o 137.0740 1.490332  188.8426       4.085339  190.3148       5.825173  187.4176       5.731059  1.045288       2.980664  
1 1 1 -7  25 22 o 72.06667 0.8882774 52.01161       1.279888  52.90320       1.838689  51.17351       1.782679  1.195816       1.776555  
1 1 1 -7  25 23 o 91.30241 1.141099  83.57200       2.058934  83.22238       2.708337  84.05072       3.169224  -0.4067001     2.282198  
1 1 1 -7  25 24 o 70.42848 0.8732373 48.99843       1.217896  54.66944       1.890612  44.97593       1.592286  6.856834       1.746475  
1 1 1 -7  25 25 f 48.62128 0.7330989 23.66133       0.7126167 22.81888       0.9943181 24.55105       1.021829  -1.779224      1.466198  
1 1 1 -7  25 26 o 10.33402 1.938358  0.6822957      0.4459715 2.235686       0.8216637 0.3355907E-01  0.5309920 8.555191       3.876716  
1 1 1 -7  25 27 f 31.62202 1.010912  9.683987       0.6276217 12.02978       1.011061  8.213387       0.8005339 6.011383       2.021825  
1 1 1 -7  25 28 f 12.21186 1.729841  1.560429       0.4011369 1.436108       0.6548349 1.635101       0.5075043 -1.069314      3.459683  
1 1 1 -7  25 29 o 29.36546 0.7528040 8.157387       0.4281558 11.77503       0.6993620 5.988653       0.5414925 9.838226       1.505608  
1 1 1 -7  25 30 o 82.46511 0.9819286 68.23968       1.619484  67.89411       2.289331  68.58585       2.291263  -0.4191742     1.963857  
1 1 1 -7  25 31 o 29.57773 0.7456748 8.765104       0.4403034 8.793251       0.6428505 8.740230       0.6043019 0.8581161E-01  1.491350  
1 1 1 -7  25 32 o 23.23429 0.8263915 5.420743       0.3820071 5.328215       0.5674373 5.497437       0.5166118 -0.3698692     1.652783  
1 1 1 -7  25 33 o 49.85614 0.7601168 24.65996       0.7532769 27.21675       1.145573  22.71236       0.9998277 4.501766       1.520234  
1 1 1 -7  25 34 o 35.03441 0.7473649 12.17282       0.5207608 13.61897       0.7882705 11.05287       0.6936953 3.651913       1.494730  
1 1 1 -7  25 35 f 22.89247 0.8632364 5.100838       0.3890846 6.243660       0.6193349 4.355720       0.5000908 4.107992       1.726473  
1 1 1 -7  25 36 o 14.86883 1.174408  2.152624       0.3401229 2.996197       0.5315752 1.567877       0.4425754 4.786070       2.348816  
1 1 1 -7  25 37 o 18.68151 1.002521  3.555664       0.3674404 3.219491       0.5616059 3.807274       0.4858631 -1.586338      2.005042  
1 1 1 -7  25 38 f 36.81194 0.7561840 13.57687       0.5546329 13.73687       0.8230001 13.44374       0.7507131 0.3884926      1.512368  
1 1 1 -7  25 39 o 55.36814 0.8104960 30.68353       0.8953367 31.81258       1.321677  29.72599       1.217165  1.868816       1.620992  
1 1 1 -7  25 40 o 9.720709 1.788022  0.9678233      0.3463924 1.176702       0.5505791 0.8309792      0.4456409 1.642015       3.576045  
1 1 1 -7  25 41 o 22.90363 0.9487272 5.162728       0.4291922 5.988934       0.6750865 4.602242       0.5560293 3.004427       1.897454  
1 1 1 -7  25 42 o 42.47574 0.7952557 18.13882       0.6740592 16.71987       0.9523638 19.56314       0.9541659 -3.346607      1.590511  
1 1 1 -7  25 43 o 18.61724 1.085360  3.436555       0.3998672 3.868556       0.6230502 3.133993       0.5214205 1.948416       2.170720  
1 1 1 -7  25 44 o 33.47536 0.8431234 11.23920       0.5618121 11.45109       0.8396406 11.06743       0.7559741 0.5566559      1.686247  
1 1 1 -7  25 45 o 35.97635 0.8354487 13.04113       0.5994463 12.08660       0.8556038 13.96138       0.8400990 -2.608822      1.670897  
1 1 1 -7  25 46 o 20.67184 2.698567  6.252210       0.6860890 2.476099       1.908942  6.812340       0.7352157 -10.67832      5.397134  
1 1 1 -7  26 1  o 22.44370 1.277574  4.979871       0.5690084 4.266647       0.7570627 5.905877       0.8626320 -3.642679      2.555148  
1 1 1 -7  26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  26 3  o 59.44337 1.496787  0.000000       0.000000  ?              ?         35.41103       1.779482  ?              ?         
1 1 1 -7  26 4  o 41.83846 0.8977730 17.50772       0.7507130 18.31870       1.084615  16.76192       1.040119  1.857754       1.795546  
1 1 1 -7  26 5  o 24.00235 0.9093344 5.777640       0.4352731 6.320960       0.6185654 5.244722       0.6126158 2.241573       1.818669  
1 1 1 -7  26 6  o 38.66426 0.8880358 14.96651       0.6864959 15.49661       0.9805315 14.45684       0.9614533 1.343445       1.776072  
1 1 1 -7  26 7  o 44.53507 0.9325096 19.77437       0.8286269 21.41049       1.222182  18.38248       1.127274  3.393421       1.865019  
1 1 1 -7  26 8  o 65.42714 1.132976  42.91380       1.482508  43.22110       2.105932  42.61190       2.087358  0.4640732      2.265952  
1 1 1 -7  26 9  o 60.84631 1.085346  36.98810       1.318089  35.28513       1.795234  38.97979       1.941459  -3.024910      2.170692  
1 1 1 -7  26 10 o 35.18768 0.9019861 12.33272       0.6329796 13.57795       0.9349002 11.27876       0.8601064 3.262299       1.803972  
1 1 1 -7  26 11 f 76.79861 1.278437  59.02305       1.960021  61.52069       2.879845  56.86771       2.675229  3.011002       2.556874  
1 1 1 -7  26 12 o 100.5448 1.590542  101.5592       3.197545  99.87357       4.458967  103.3437       4.587810  -1.711281      3.181085  
1 1 1 -7  26 13 o 39.99170 0.6915624 16.00889       0.5531139 16.19596       0.7833880 15.82294       0.7810597 0.4662628      1.383125  
1 1 1 -7  26 14 o 66.58204 0.8403605 43.88914       1.110548  40.49604       1.464564  48.47958       1.703478  -5.980236      1.680721  
1 1 1 -7  26 15 o 10.81380 1.375527  1.196572       0.2875537 0.9092006      0.3957272 1.518058       0.4185571 -2.974847      2.751053  
1 1 1 -7  26 16 o 87.97459 1.020901  77.54979       1.795751  76.33944       2.503364  78.83281       2.577407  -1.410942      2.041803  
1 1 1 -7  26 17 o 73.40039 0.8971321 53.92110       1.315993  55.39862       1.906872  52.57742       1.818464  1.915154       1.794264  
1 1 1 -7  26 18 o 63.09845 0.8217933 39.35522       1.028578  43.98836       1.583383  35.97268       1.352913  6.335403       1.643587  
1 1 1 -7  26 19 o 72.97982 0.8954703 53.35327       1.306777  54.15139       1.870468  52.59227       1.826443  1.064651       1.790941  
1 1 1 -7  26 20 o 27.13604 0.7479377 7.366669       0.4052749 6.801679       0.5637769 7.970839       0.5829967 -2.152895      1.495875  
1 1 1 -7  26 21 o 48.90627 0.7380570 23.95506       0.7218715 23.93555       1.015303  23.97501       1.026551  -0.3950882E-01 1.476114  
1 1 1 -7  26 22 o 39.34075 0.7142493 15.49954       0.5619656 15.33543       0.7921564 15.66581       0.7973479 -0.4195137     1.428499  
1 1 1 -7  26 23 o 93.33224 1.312414  88.32060       2.342820  84.88171       3.895658  90.26907       2.932360  -3.017601      2.624829  
1 1 1 -7  26 24 o 24.98707 1.128407  6.240647       0.5542642 6.414702       0.8733224 6.123254       0.7172247 0.5640240      2.256814  
1 1 1 -7  26 25 o 38.90877 0.9168946 14.28372       0.6884878 11.94454       0.8481185 18.80412       1.178998  -8.780071      1.833789  
1 1 1 -7  26 26 o 27.76043 0.7561319 7.756035       0.4168890 6.699373       0.5891786 8.815510       0.5899624 -3.811357      1.512264  
1 1 1 -7  26 27 o 41.60683 0.7182841 17.35594       0.5971431 16.98269       0.8576626 17.70710       0.8319023 -0.8728752     1.436568  
1 1 1 -7  26 28 o 13.22638 1.161846  1.768451       0.3050874 1.654547       0.4506137 1.864856       0.4145557 -0.8005285     2.323692  
1 1 1 -7  26 29 o 24.24823 0.8091234 5.950669       0.3886535 5.254528       0.5661880 6.570978       0.5344613 -2.717976      1.618247  
1 1 1 -7  26 30 o 36.69878 0.7307263 13.41234       0.5331976 11.51264       0.7260200 15.63670       0.7856110 -5.612820      1.461453  
1 1 1 -7  26 31 o 26.02909 0.7831637 6.750773       0.4058926 7.218455       0.6098402 6.378830       0.5438488 1.605387       1.566327  
1 1 1 -7  26 32 o 28.13590 0.7790729 7.948401       0.4319913 6.255196       0.5964797 9.816211       0.6264800 -6.324860      1.558146  
1 1 1 -7  26 33 o 56.07081 0.8024949 31.47278       0.8990818 29.76745       1.243765  33.33914       1.301163  -3.177856      1.604990  
1 1 1 -7  26 34 o 66.27582 0.8662826 44.03625       1.147074  45.04429       1.667693  43.13116       1.580253  1.430504       1.732565  
1 1 1 -7  26 35 o 59.38758 0.8227245 35.39231       0.9770260 34.67619       1.382727  36.10635       1.380722  -1.204376      1.645449  
1 1 1 -7  26 36 o 32.60386 0.7774229 10.72369       0.5039162 9.613910       0.7243770 11.76438       0.7014655 -3.301020      1.554846  
1 1 1 -7  26 37 o 59.40664 0.8271496 35.42113       0.9826135 35.12551       1.398242  35.70957       1.381166  -0.4941635     1.654299  
1 1 1 -7  26 38 o 31.57108 0.8077384 10.05315       0.5063591 9.522662       0.7507961 10.49578       0.6858082 -1.551403      1.615477  
1 1 1 -7  26 39 o 59.25825 0.8440921 35.15456       0.9975929 36.57878       1.477611  33.96163       1.352319  2.186958       1.688184  
1 1 1 -7  26 40 o 6.923378 1.791841  0.3675200      0.3449730 -0.1503957E-01 0.5448544 0.6234912      0.4456834 -1.919530      3.583682  
1 1 1 -7  26 41 o 11.50619 1.641201  1.525906       0.3669300 0.6960495      0.5640790 2.134630       0.4831131 -6.083636      3.282402  
1 1 1 -7  26 42 o 23.81271 0.9625811 5.594696       0.4530765 6.438128       0.7101957 5.015830       0.5883579 2.959373       1.925162  
1 1 1 -7  26 43 o 38.61127 0.8186070 15.01838       0.6298708 13.59923       0.8929545 16.42373       0.8886051 -3.658489      1.637214  
1 1 1 -7  26 44 o 10.72887 2.390503  1.173964       0.5620992 1.278067       0.9002762 1.107453       0.7195934 0.8186674      4.781007  
1 1 1 -7  26 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  27 1  o 34.81469 0.6687024 12.12815       0.4653737 12.68719       0.6647832 11.59092       0.6516877 1.573738       1.337405  
1 1 1 -7  27 2  o 60.65947 0.7919007 36.71053       0.9586841 38.97298       1.413235  34.78191       1.304814  3.447762       1.583801  
1 1 1 -7  27 3  o 44.11053 0.6951438 19.26020       0.6092486 17.63024       0.8071183 21.41899       0.9288683 -4.287888      1.390288  
1 1 1 -7  27 4  o 112.4713 1.247063  126.7967       2.802549  123.8070       3.864306  130.1140       4.070537  -2.783325      2.494127  
1 1 1 -7  27 5  o 85.19208 1.241799  72.27346       1.958709  71.37515       2.352897  74.30126       3.535097  -1.601875      2.483597  
1 1 1 -7  27 6  o 81.88951 1.395268  67.32623       2.284249  66.34953       3.177490  68.37083       3.286077  -1.221954      2.790536  
1 1 1 -7  27 7  o 106.1195 1.702307  113.3439       3.612574  114.6993       5.155324  112.0362       5.063807  1.242104       3.404615  
1 1 1 -7  27 8  o 41.09073 1.054725  16.73350       0.8614436 15.16933       1.143813  18.78348       1.309448  -4.383408      2.109450  
1 1 1 -7  27 9  o 116.9909 1.600778  136.6626       3.485023  140.5061       6.229614  134.9119       4.204504  2.125786       3.201555  
1 1 1 -7  27 10 o 106.8771 1.197770  114.5809       2.559701  113.0254       3.573939  116.2191       3.667814  -1.484619      2.395541  
1 1 1 -7  27 11 o 47.11330 0.7154255 21.89558       0.6686939 19.65421       0.8803874 24.95182       1.028041  -5.613186      1.430851  
1 1 1 -7  27 12 o 43.09556 0.7006714 18.59353       0.6038895 18.47763       0.8491718 18.71212       0.8589699 -0.2714577     1.401343  
1 1 1 -7  27 13 o 54.80258 0.7582054 29.98990       0.8297838 31.76696       1.214240  28.43286       1.136588  3.036671       1.516411  
1 1 1 -7  27 14 o 65.92029 0.8375626 43.49865       1.103572  42.56889       1.528643  44.51066       1.594832  -1.467697      1.675125  
1 1 1 -7  27 15 o 58.09133 0.7822021 33.69386       0.9071908 35.68247       1.331861  31.97266       1.239081  3.186115       1.564404  
1 1 1 -7  27 16 o 102.6897 1.159087  105.8512       2.380506  106.2509       3.375013  105.4555       3.358138  0.3853226      2.318174  
1 1 1 -7  27 17 o 105.6699 1.187575  112.1113       2.509641  111.3354       3.524052  112.9097       3.574829  -0.7387085     2.375150  
1 1 1 -7  27 18 o 40.98023 0.7051265 16.75011       0.5767481 18.06912       0.8475891 15.61276       0.7870603 2.992538       1.410253  
1 1 1 -7  27 19 o 74.96386 1.115488  56.78385       1.593475  55.13964       2.678978  57.68405       1.982259  -1.778275      2.230975  
1 1 1 -7  27 20 o 15.03767 1.713273  2.353516       0.4876138 3.098957       0.6996978 1.649646       0.6799079 5.024862       3.426545  
1 1 1 -7  27 21 o 38.91619 1.023728  15.10931       0.7942176 13.60567       1.080952  16.87333       1.170808  -4.187901      2.047456  
1 1 1 -7  27 22 o 46.78956 0.9220870 21.26429       0.7971073 20.23195       0.9483194 23.74952       1.471389  -3.702572      1.844174  
1 1 1 -7  27 23 o 79.82337 0.9649231 63.91979       1.540424  64.43326       2.188439  63.41554       2.168672  0.6351471      1.929846  
1 1 1 -7  27 24 f 43.71587 0.7224150 19.07791       0.6299862 20.07382       0.9325486 18.24184       0.8544372 2.088104       1.444830  
1 1 1 -7  27 25 o 103.9952 1.178073  108.6979       2.450029  107.6376       3.435216  109.7956       3.495293  -1.028137      2.356145  
1 1 1 -7  27 26 o 47.66882 0.7457427 22.70950       0.7097703 23.82461       1.041507  21.74254       0.9698531 2.176651       1.491485  
1 1 1 -7  27 27 o 19.29202 0.9295049 3.799170       0.3508636 2.935823       0.5013258 4.628062       0.4912206 -4.387121      1.859010  
1 1 1 -7  27 28 f 20.31934 0.8672039 4.082581       0.3498669 4.689184       0.5344312 3.627631       0.4628300 2.603239       1.734408  
1 1 1 -7  27 29 o 15.62170 1.135989  2.537746       0.3427832 1.937584       0.5109237 3.029023       0.4622586 -3.501184      2.271979  
1 1 1 -7  27 30 o 39.75015 0.7310793 15.84691       0.5808101 15.46952       0.8303619 16.20841       0.8127018 -0.9313736     1.462159  
1 1 1 -7  27 31 o 43.51085 0.7358140 18.79948       0.6363293 20.57168       0.9680856 17.45132       0.8443602 3.570824       1.471628  
1 1 1 -7  27 32 o 13.95800 1.203071  1.979789       0.3291126 1.866999       0.5114295 2.059509       0.4299689 -0.7065258     2.406142  
1 1 1 -7  27 33 o 70.86836 0.9008210 50.17333       1.271788  53.18450       1.902883  47.74241       1.709739  3.808899       1.801642  
1 1 1 -7  27 34 o 26.75641 0.8226911 7.287478       0.4336661 6.075690       0.6293424 8.383105       0.5984185 -4.316364      1.645382  
1 1 1 -7  27 35 o 29.47862 0.7977374 8.746107       0.4687981 8.252496       0.6778902 9.198561       0.6490134 -1.608969      1.595475  
1 1 1 -7  27 36 o 30.94989 0.7968190 9.645984       0.4914112 9.093225       0.7126365 10.14711       0.6785375 -1.707937      1.593638  
1 1 1 -7  27 37 f 19.68772 1.004350  3.898685       0.3912342 3.897798       0.5985105 3.899348       0.5169781 -0.2055931E-01 2.008699  
1 1 1 -7  27 38 o 47.73376 0.7873524 22.68575       0.7472972 24.58470       1.133532  21.22592       0.9938636 3.493679       1.574705  
1 1 1 -7  27 39 o 37.45801 0.7966470 14.06541       0.5944012 14.31547       0.8846260 13.85957       0.8025721 0.5941391      1.593294  
1 1 1 -7  27 40 f 33.78373 0.8043360 11.24073       0.5376686 13.05092       0.8382779 9.975564       0.7008107 4.526031       1.608672  
1 1 1 -7  27 41 o 11.58320 1.922947  1.720578       0.4379734 0.4490865      0.8848301 2.133193       0.5040526 -5.891841      3.845895  
1 1 1 -7  27 42 o 24.95683 1.402688  6.329861       0.6858922 6.231509       1.079602  6.396428       0.8881745 -0.3961620     2.805375  
1 1 1 -7  27 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  28 1  f 45.29020 0.7039205 20.53193       0.6372799 20.29282       0.8849187 20.78953       0.9185199 -0.5460358     1.407841  
1 1 1 -7  28 2  o 103.5281 1.163966  107.4855       2.408415  110.1486       3.484983  105.0508       3.332180  2.444542       2.327933  
1 1 1 -7  28 3  o 40.84880 0.6919179 16.60298       0.5632713 15.47747       0.7585363 17.98652       0.8410032 -3.065540      1.383836  
1 1 1 -7  28 4  o 35.60191 0.6825241 12.66136       0.4853441 12.10905       0.6658649 13.28740       0.7089167 -1.652004      1.365048  
1 1 1 -7  28 5  o 110.2837 1.228843  121.8306       2.704912  117.5996       3.686625  126.7642       3.980955  -4.119278      2.457685  
1 1 1 -7  28 6  o 37.45300 0.6890531 14.00977       0.5154690 13.27682       0.7079213 14.83693       0.7520443 -2.079720      1.378106  
1 1 1 -7  28 7  o 48.40952 0.7218498 23.37606       0.6973243 22.08786       0.9482185 24.89330       1.029066  -2.891731      1.443700  
1 1 1 -7  28 8  o 63.87078 0.8233887 40.87154       1.051771  41.31734       1.494431  40.43401       1.480523  0.6903267      1.646777  
1 1 1 -7  28 9  o 62.05651 0.8090852 38.52134       1.002956  37.39408       1.377852  39.79176       1.462738  -1.924767      1.618170  
1 1 1 -7  28 10 o 34.17776 0.6955799 11.64689       0.4743871 10.91903       0.6451954 12.50343       0.6999089 -2.313923      1.391160  
1 1 1 -7  28 11 o 41.61611 0.7062737 17.22841       0.5857398 15.96126       0.7888721 18.78537       0.8744437 -3.386730      1.412547  
1 1 1 -7  28 12 o 27.47108 0.9368978 7.091104       0.4645064 6.531067       0.5402574 8.678733       0.9096332 -3.872725      1.873796  
1 1 1 -7  28 13 o 39.63783 1.043457  15.76422       0.8269867 15.82262       1.157455  15.70332       1.182003  0.1532097      2.086913  
1 1 1 -7  28 14 o 79.60510 1.371557  63.66843       2.182467  65.79729       3.150201  61.70353       3.026466  2.552956       2.743114  
1 1 1 -7  28 15 o 44.68779 1.290127  20.30429       1.106532  19.22674       1.818104  20.93826       1.394561  -1.974579      2.580255  
1 1 1 -7  28 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  28 17 o 60.84158 1.621713  0.000000       0.000000  ?              ?         37.17807       1.973351  ?              ?         
1 1 1 -7  28 18 o 29.38240 1.065939  8.669155       0.6261997 8.533408       0.8922051 8.800942       0.8791003 -0.4569416     2.131878  
1 1 1 -7  28 19 o 37.81351 0.7289939 14.12777       0.5473326 12.21162       0.7287334 16.60758       0.8290178 -5.803600      1.457988  
1 1 1 -7  28 20 o 55.56107 0.7911153 30.90462       0.8785529 29.91127       1.216543  31.98738       1.270110  -1.862858      1.582231  
1 1 1 -7  28 21 o 35.27538 0.7326753 12.44143       0.5162441 11.62761       0.7128679 13.33889       0.7486008 -2.422134      1.465351  
1 1 1 -7  28 22 o 26.88525 0.7880755 7.230838       0.4231310 7.804748       0.6124384 6.706699       0.5852802 2.039211       1.576151  
1 1 1 -7  28 23 o 62.91874 0.8375976 39.61261       1.052780  41.41966       1.534873  38.00711       1.446743  2.701775       1.675195  
1 1 1 -7  28 24 o 86.85577 1.023138  75.75356       1.777292  75.61948       2.517620  75.88677       2.509341  -0.1550522     2.046276  
1 1 1 -7  28 25 o 80.79996 0.9758415 65.43969       1.575186  67.61777       2.294662  63.49868       2.166185  2.530716       1.951683  
1 1 1 -7  28 26 o 54.29235 0.7846144 29.53395       0.8516645 28.48639       1.189235  30.63685       1.220234  -1.976875      1.569229  
1 1 1 -7  28 27 o 50.01747 0.7584890 24.98040       0.7567413 26.40417       1.121094  23.78874       1.025651  2.603504       1.516978  
1 1 1 -7  28 28 o 37.35665 0.7346072 13.89386       0.5459339 12.03793       0.7416983 16.08826       0.8065005 -5.413414      1.469214  
1 1 1 -7  28 29 o 30.04193 0.7631743 8.984382       0.4561985 9.694389       0.6888552 8.429717       0.6088511 2.094252       1.526349  
1 1 1 -7  28 30 o 41.71950 0.7442921 17.42363       0.6197014 15.88244       0.8588064 19.09783       0.8951002 -3.848824      1.488584  
1 1 1 -7  28 31 o 32.82914 0.7540060 10.80290       0.4943792 10.90592       0.7198865 10.71096       0.6801223 0.2916260      1.508012  
1 1 1 -7  28 32 o 83.79210 1.008747  70.46782       1.688170  72.63636       2.466024  68.55526       2.315907  2.407539       2.017493  
1 1 1 -7  28 33 o 48.18693 0.7764329 23.30569       0.7479507 22.88807       1.067381  23.70858       1.048398  -0.8542366     1.552866  
1 1 1 -7  28 34 o 87.99512 1.051914  77.87656       1.850246  79.01733       2.668731  76.82074       2.567489  1.226875       2.103827  
1 1 1 -7  28 35 o 18.09475 1.089297  3.328755       0.3866716 3.122535       0.5981214 3.476822       0.5068220 -0.9998245     2.178594  
1 1 1 -7  28 36 o 66.21118 0.8855825 44.03257       1.172320  42.51800       1.638346  45.62172       1.678195  -2.335922      1.771165  
1 1 1 -7  28 37 o 12.67280 1.478920  1.685619       0.3554127 1.493538       0.5514321 1.822115       0.4648459 -1.525582      2.957840  
1 1 1 -7  28 38 o 23.01620 1.065333  5.287476       0.4671721 5.499487       0.7989717 5.177333       0.5758757 0.6450024      2.130665  
1 1 1 -7  28 39 o 45.68961 1.159708  20.05745       1.025042  25.17425       1.740879  17.34210       1.268186  8.433498       2.319415  
1 1 1 -7  28 40 o 20.37342 1.082466  4.214609       0.4322551 4.024426       0.6740549 4.347445       0.5633379 -0.8219223     2.164933  
1 1 1 -7  28 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  29 1  f 55.48544 0.7670696 30.59941       0.8468797 28.53468       1.130074  33.24441       1.279052  -4.231136      1.534139  
1 1 1 -7  29 2  f 23.79153 0.7407569 5.680967       0.3516171 6.113525       0.4959252 5.243715       0.4986091 1.828207       1.481514  
1 1 1 -7  29 3  o 78.06113 0.9366204 61.01511       1.460873  63.14163       2.123561  59.10453       2.012854  2.574127       1.873241  
1 1 1 -7  29 4  o 37.65726 0.6940039 13.89576       0.5169612 11.99791       0.6747473 16.59312       0.8044141 -6.091167      1.388008  
1 1 1 -7  29 5  o 17.05904 0.9159119 2.917472       0.3123144 2.904134       0.4339736 2.931802       0.4498106 -0.7944679E-01 1.831824  
1 1 1 -7  29 6  f 24.71107 0.7657729 5.966998       0.3703744 4.463533       0.4868757 8.032077       0.5706107 -7.213303      1.531546  
1 1 1 -7  29 7  o 39.71030 0.6997722 15.78672       0.5554864 15.57108       0.7714328 16.01892       0.8005276 -0.5615501     1.399544  
1 1 1 -7  29 8  o 39.12217 0.6985468 15.21041       0.5441723 17.30528       0.8083482 13.47423       0.7358960 4.890396       1.397094  
1 1 1 -7  29 9  o 7.735898 1.642616  0.6023048      0.2754252 0.5030349      0.3771519 0.7157426      0.4031684 -1.142767      3.285232  
1 1 1 -7  29 10 o 31.57236 0.7120954 9.841156       0.4458053 11.83372       0.6742312 8.293317       0.5942448 5.600058       1.424191  
1 1 1 -7  29 11 f 72.66985 1.075832  53.69475       1.513845  50.16563       2.425946  55.94543       1.937334  -4.039352      2.151665  
1 1 1 -7  29 12 o 39.38929 0.9568113 15.47645       0.7516240 14.26737       1.019186  16.91810       1.112900  -3.353767      1.913623  
1 1 1 -7  29 13 o 101.6910 1.620559  103.6405       3.278514  97.66714       4.373215  111.3056       4.953934  -6.587868      3.241119  
1 1 1 -7  29 14 o 46.73913 0.8768178 21.95816       0.7819598 22.08118       0.9715396 21.73190       1.317638  0.4120102      1.753636  
1 1 1 -7  29 15 o 105.0206 1.186064  110.3469       2.482079  105.1582       3.342045  116.7293       3.706569  -5.452362      2.372127  
1 1 1 -7  29 16 o 72.75905 0.9010928 53.08327       1.310932  52.33955       1.829540  53.86803       1.879337  -1.044388      1.802186  
1 1 1 -7  29 17 o 22.93119 0.8238061 5.259564       0.3755960 4.511143       0.5175976 6.091998       0.5458757 -3.443819      1.647612  
1 1 1 -7  29 18 f 24.27422 1.152167  5.883347       0.5571598 6.655842       0.8237141 5.231846       0.7564607 2.922604       2.304333  
1 1 1 -7  29 19 o 62.90746 0.8336980 39.39596       1.044405  36.71514       1.399822  42.76204       1.568562  -4.786762      1.667396  
1 1 1 -7  29 20 o 32.99845 0.7552112 10.87798       0.4973889 9.973479       0.6834177 11.89667       0.7252752 -2.909576      1.510422  
1 1 1 -7  29 21 o 51.22897 0.7706825 26.30503       0.7895629 26.76669       1.123026  25.85377       1.110304  0.8895988      1.541365  
1 1 1 -7  29 22 o 10.83947 1.759629  1.049374       0.3664722 0.6326488      0.4418101 1.968459       0.6561280 -5.794231      3.519258  
1 1 1 -7  29 23 o 33.98194 0.9204391 11.20603       0.5866578 10.54477       0.7057914 12.68410       1.055207  -3.099777      1.840878  
1 1 1 -7  29 24 o 66.35056 1.122503  44.51008       1.460264  45.54155       1.899460  43.01949       2.283395  1.968285       2.245006  
1 1 1 -7  29 25 o 78.32739 1.365969  61.80433       2.137252  60.12136       2.936770  63.69933       3.116271  -2.242683      2.731937  
1 1 1 -7  29 26 o 51.08874 1.101555  26.18496       1.123463  25.12139       1.533038  27.41874       1.651161  -2.225605      2.203110  
1 1 1 -7  29 27 o 57.50719 1.147033  33.19687       1.316923  31.82403       1.798295  34.78457       1.933911  -2.546635      2.294065  
1 1 1 -7  29 28 o 55.99704 1.140428  31.50986       1.275821  30.51025       1.755015  32.63014       1.857947  -1.872040      2.280857  
1 1 1 -7  29 29 o 55.59241 1.132012  31.10731       1.258528  31.65815       1.787951  30.56638       1.771813  0.9785995      2.264023  
1 1 1 -7  29 30 o 14.85999 1.743708  2.218168       0.4979938 2.915072       0.7712858 1.719930       0.6521494 4.189206       3.487417  
1 1 1 -7  29 31 o 68.89703 1.273851  47.86024       1.754499  49.36629       2.527439  46.45950       2.437477  2.086693       2.547703  
1 1 1 -7  29 32 o 37.54868 1.071207  14.17906       0.8039699 13.80044       1.113723  14.59105       1.161768  -1.042206      2.142413  
1 1 1 -7  29 33 o 42.96500 1.077004  18.59114       0.9253756 18.28201       1.298194  18.91046       1.319421  -0.7262535     2.154008  
1 1 1 -7  29 34 o 13.91750 1.929049  2.177657       0.5132047 1.239850       0.7757127 2.907663       0.6843963 -6.054049      3.858099  
1 1 1 -7  29 35 o 41.52517 1.381090  18.11923       1.089064  15.00391       1.752995  20.07742       1.389812  -6.219124      2.762179  
1 1 1 -7  29 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  29 37 o 10.06746 2.131410  1.050732       0.4968700 0.4801711      0.7414770 1.515757       0.6693987 -3.682173      4.262820  
1 1 1 -7  29 38 o 6.611683 2.013014  -0.2697323     0.4890777 0.3980100      0.7975592 -0.6721521     0.6191533 3.177945       4.026028  
1 1 1 -7  29 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  30 1  o 65.31023 0.8398844 42.73005       1.096554  44.09067       1.579958  41.46556       1.523126  2.003349       1.679769  
1 1 1 -7  30 2  o 50.90487 0.7476871 25.87383       0.7598319 27.72077       1.114912  24.27198       1.038303  3.379845       1.495374  
1 1 1 -7  30 3  o 107.2245 1.205004  115.5850       2.583808  114.6415       3.620691  116.5642       3.688362  -0.8856659     2.410007  
1 1 1 -7  30 4  o 35.39623 0.6973933 12.49608       0.4921479 13.98044       0.7208804 11.20030       0.6735339 3.922779       1.394787  
1 1 1 -7  30 5  f 46.52200 0.7282238 21.36487       0.6720150 19.21064       0.8841215 24.31232       1.034166  -5.468456      1.456448  
1 1 1 -7  30 6  o 52.79628 0.8108793 28.03820       0.8523599 26.76856       1.249157  29.14439       1.165975  -2.259022      1.621759  
1 1 1 -7  30 7  o 56.15615 1.051848  31.61648       1.180146  32.78473       1.717143  30.57068       1.624653  1.958237       2.103696  
1 1 1 -7  30 8  o 19.73082 1.094182  3.881912       0.4293895 3.355402       0.5824594 4.508677       0.6354983 -2.914703      2.188364  
1 1 1 -7  30 9  f 69.04233 1.199197  47.52134       1.646358  51.68807       2.497064  44.31725       2.189701  5.287903       2.398394  
1 1 1 -7  30 10 o 14.97175 1.055438  2.252904       0.3157466 2.304922       0.4405722 2.197973       0.4527428 0.3589134      2.110876  
1 1 1 -7  30 11 f 47.69621 0.7336527 22.79477       0.6996527 22.72340       0.9772414 22.86983       1.002145  -0.1510239     1.467305  
1 1 1 -7  30 12 o 30.00450 0.7321643 9.020504       0.4393060 9.230068       0.6245234 8.815247       0.6180719 0.6906166      1.464329  
1 1 1 -7  30 13 o 40.49064 0.7206826 16.36104       0.5824133 15.18900       0.7952911 17.71660       0.8552917 -3.115189      1.441365  
1 1 1 -7  30 14 o 75.92021 0.9306726 57.79894       1.412422  56.62767       1.959968  59.06433       2.037203  -1.594536      1.861345  
1 1 1 -7  30 15 o 27.39340 0.7784448 7.513845       0.4254616 8.264501       0.6128570 6.815499       0.5911186 2.642357       1.556890  
1 1 1 -7  30 16 o 50.13556 1.105261  24.95919       1.099775  22.92898       1.449887  27.71000       1.687692  -4.729664      2.210522  
1 1 1 -7  30 17 o 32.25272 0.7525459 10.39399       0.4844514 11.36110       0.7058131 9.532539       0.6661422 2.830366       1.505092  
1 1 1 -7  30 18 o 33.68309 0.7472047 11.33227       0.5024768 10.58607       0.6877770 12.18649       0.7358779 -2.370361      1.494409  
1 1 1 -7  30 19 o 20.72031 0.8986863 4.296077       0.3702756 4.975360       0.5390810 3.689368       0.5094704 3.099119       1.797373  
1 1 1 -7  30 20 o 44.37106 0.7455404 19.73612       0.6615599 19.57338       0.9287744 19.90372       0.9425518 -0.3705826     1.491081  
1 1 1 -7  30 21 o 40.53264 0.7387926 16.46956       0.5988172 16.32884       0.8384112 16.61609       0.8555600 -0.3521843     1.477585  
1 1 1 -7  30 22 o 35.65383 0.7505259 12.75237       0.5349092 12.93495       0.7479878 12.56125       0.7652596 0.5263290      1.501052  
1 1 1 -7  30 23 o 9.374507 1.756472  0.9184729      0.3419997 1.194477       0.4873405 0.6506508      0.4800629 2.551426       3.512945  
1 1 1 -7  30 24 o 25.70021 0.7990690 6.635728       0.4093947 6.496545       0.6001310 6.756875       0.5599032 -0.5121479     1.598138  
1 1 1 -7  30 25 o 53.72153 0.7828285 28.91649       0.8405612 27.60545       1.167730  30.32628       1.210912  -2.526279      1.565657  
1 1 1 -7  30 26 o 41.42391 0.7453559 17.22385       0.6169934 16.69471       0.8813106 17.73248       0.8640659 -1.255020      1.490712  
1 1 1 -7  30 27 o 55.17371 0.7991608 30.54178       0.8816461 29.62074       1.237478  31.49121       1.256410  -1.692116      1.598322  
1 1 1 -7  30 28 o 51.37016 0.7776510 26.36397       0.7964476 27.88327       1.184735  25.11118       1.075820  2.681255       1.555302  
1 1 1 -7  30 29 o 13.65696 1.251803  1.851535       0.3382000 2.089797       0.5278328 1.685593       0.4405001 1.457234       2.503607  
1 1 1 -7  30 30 o 68.69002 0.8962082 47.24469       1.227400  49.58453       1.823902  45.30799       1.659354  3.080070       1.792416  
1 1 1 -7  30 31 o 9.120092 1.748658  0.8174711      0.3218610 1.155188       0.5327829 0.6233900      0.4038920 2.632463       3.497315  
1 1 1 -7  30 32 o 14.89666 1.530169  1.873388       0.4041352 3.168784       0.8490232 1.493899       0.4595343 5.485855       3.060337  
1 1 1 -7  30 33 o 19.65298 1.448413  3.728609       0.5542867 4.809191       0.9211934 3.115359       0.6939700 4.231995       2.896825  
1 1 1 -7  30 34 o 75.30444 0.9599836 57.03638       1.444689  58.04157       2.091856  56.11973       1.997600  1.253464       1.919967  
1 1 1 -7  30 35 o 78.10226 0.9816706 61.39514       1.533215  60.27022       2.148494  62.56250       2.188652  -1.457733      1.963341  
1 1 1 -7  30 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  31 1  o 40.26016 0.7677696 15.83163       0.6072235 18.46319       0.9770241 14.17541       0.7751015 5.302380       1.535539  
1 1 1 -7  31 2  o 72.82452 1.234188  53.35454       1.797188  52.75764       2.510361  53.98211       2.574050  -0.8292084     2.468376  
1 1 1 -7  31 3  o 46.15752 0.9630380 21.33329       0.8879073 22.58310       1.294589  20.22316       1.220100  2.545910       1.926076  
1 1 1 -7  31 4  o 111.5026 1.750932  125.8113       3.902387  123.3303       5.408614  128.5054       5.636027  -2.262383      3.501865  
1 1 1 -7  31 5  o 43.10001 0.8408555 18.83961       0.7018286 19.52540       0.8967892 17.75577       1.127394  2.080925       1.681711  
1 1 1 -7  31 6  o 53.95538 0.7752589 29.17601       0.8361933 28.92908       1.162712  29.44055       1.203452  -0.4693527     1.550518  
1 1 1 -7  31 7  o 60.31230 0.8093532 36.45099       0.9756800 35.84459       1.352079  37.10984       1.409342  -1.042126      1.618706  
1 1 1 -7  31 8  o 40.57484 0.7182301 16.48678       0.5825134 17.28623       0.8350366 15.72897       0.8130019 1.916664       1.436460  
1 1 1 -7  31 9  o 15.66104 1.030012  2.474986       0.3210487 2.631881       0.4425361 2.300661       0.4664719 1.061086       2.060025  
1 1 1 -7  31 10 o 78.75227 0.9516929 62.25603       1.498941  62.33387       2.115244  62.17752       2.124430  0.1005630      1.903386  
1 1 1 -7  31 11 o 25.51929 0.7738428 6.460116       0.3924505 5.566320       0.5274802 7.568329       0.5873526 -3.915550      1.547686  
1 1 1 -7  31 12 o 66.36409 0.8568503 44.17937       1.137080  43.98193       1.591590  44.38520       1.625080  -0.2994003     1.713701  
1 1 1 -7  31 13 o 67.24252 1.258422  45.37574       1.688280  43.32931       2.292342  47.80154       2.495789  -3.284714      2.516844  
1 1 1 -7  31 14 o 72.64002 0.9078366 52.96784       1.318892  53.01833       1.861563  52.91695       1.868850  0.7086182E-01  1.815673  
1 1 1 -7  31 15 o 27.13237 0.7870988 7.354184       0.4258739 8.192846       0.6224639 6.616133       0.5839341 2.900469       1.574198  
1 1 1 -7  31 16 o 47.46129 0.7505522 22.54870       0.7116595 21.78207       0.9787543 23.40867       1.036613  -1.706070      1.501104  
1 1 1 -7  31 17 f 28.32265 0.7859264 8.046600       0.4451733 8.120884       0.6292089 7.972147       0.6299319 0.2626762      1.571853  
1 1 1 -7  31 18 o 37.86912 0.7405043 14.29526       0.5591666 13.04304       0.7589620 15.78194       0.8269696 -3.607391      1.481009  
1 1 1 -7  31 19 o 30.31372 0.7795866 9.180789       0.4711729 10.26739       0.6884406 8.223327       0.6462381 3.365709       1.559173  
1 1 1 -7  31 20 o 77.47500 0.9538684 60.20623       1.476470  58.38102       2.032145  62.24704       2.148823  -2.475220      1.907737  
1 1 1 -7  31 21 o 40.45708 0.7426814 16.41462       0.6008765 16.45058       0.8444340 16.37773       0.8552034 0.9148407E-01  1.485363  
1 1 1 -7  31 22 o 19.42463 1.007926  3.798639       0.3899940 3.377803       0.5471749 4.233160       0.5560005 -2.200068      2.015852  
1 1 1 -7  31 23 o 18.37828 1.032441  3.393005       0.3777991 2.972879       0.5233456 3.850204       0.5459480 -2.382315      2.064881  
1 1 1 -7  31 24 o 38.99000 0.7468644 15.25298       0.5817904 14.35710       0.8181003 16.16964       0.8275322 -2.322968      1.493729  
1 1 1 -7  31 25 o 5.695209 1.626470  0.2496127E-03  0.3042846 0.4144818      0.4704598 -0.2976564     0.3989700 2.701484       3.252941  
1 1 1 -7  31 26 o 37.37107 0.7643358 13.98530       0.5687805 12.25185       0.7853131 15.89792       0.8249006 -4.871677      1.528672  
1 1 1 -7  31 27 o 32.65575 0.7810288 10.70790       0.5083914 10.67024       0.7495818 10.73999       0.6918335 -0.1168633     1.562058  
1 1 1 -7  31 28 o 27.42760 0.8243651 7.591102       0.4496463 7.121517       0.6589740 8.000216       0.6150841 -1.609797      1.648730  
1 1 1 -7  31 29 o 60.37304 1.182488  36.70996       1.423009  37.54393       2.110404  36.01468       1.926960  1.217457       2.364975  
1 1 1 -7  31 30 o 38.40498 1.086385  14.87527       0.8300503 14.76472       1.236458  14.96596       1.119913  -0.2917175     2.172770  
1 1 1 -7  31 31 o 14.99865 1.263753  2.228279       0.3751856 2.667540       0.5807029 1.913534       0.4915552 2.485503       2.527505  
1 1 1 -7  31 32 f 51.42228 0.8067660 26.57445       0.8293715 25.98620       1.180724  27.14737       1.165247  -1.132153      1.613532  
1 1 1 -7  31 33 o 71.66334 1.648150  54.04073       1.809816  49.60092       4.165964  55.07357       2.009331  -4.623978      3.296300  
1 1 1 -7  31 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  32 1  o 76.55106 1.388854  59.15802       2.126272  59.93811       3.015829  58.38700       2.998253  1.008842       2.777708  
1 1 1 -7  32 2  o 49.00106 0.9797355 22.65246       0.8527572 27.36810       1.710065  21.09169       0.9838080 6.281025       1.959471  
1 1 1 -7  32 3  o 63.41987 0.8387833 40.36015       1.063863  40.31461       1.497070  40.40660       1.512101  -0.7032394E-01 1.677567  
1 1 1 -7  32 4  o 37.26364 0.7274575 13.93340       0.5416903 14.30809       0.7575415 13.54136       0.7748846 1.030987       1.454915  
1 1 1 -7  32 5  o 39.55143 0.7180281 15.68729       0.5678256 16.00302       0.7997474 15.36633       0.8063465 0.8057175      1.436056  
1 1 1 -7  32 6  o 46.85804 0.7441100 21.99004       0.6966270 21.45940       0.9593650 22.58190       1.013196  -1.190742      1.488220  
1 1 1 -7  32 7  o 52.39483 0.7715158 27.35800       0.8050836 25.71165       1.079925  29.41771       1.207916  -3.519306      1.543032  
1 1 1 -7  32 8  o 71.39763 0.8999123 51.18227       1.285018  51.36340       1.815334  51.00036       1.819252  0.2548599      1.799825  
1 1 1 -7  32 9  o 37.82373 0.7295574 14.30729       0.5511794 15.19802       0.8033975 13.51524       0.7575886 2.218624       1.459115  
1 1 1 -7  32 10 o 60.31641 1.202925  36.64125       1.450942  36.52635       2.034577  36.76017       2.069761  -0.1863632     2.405850  
1 1 1 -7  32 11 o 14.34384 1.186912  2.092978       0.3348322 2.536299       0.4746595 1.653872       0.4723970 3.075512       2.373824  
1 1 1 -7  32 12 o 61.83479 0.8291924 38.27728       1.023953  36.77965       1.402371  39.98748       1.498589  -2.579781      1.658385  
1 1 1 -7  32 13 o 19.85864 0.9392961 3.949907       0.3725097 3.689975       0.5121691 4.241836       0.5427791 -1.384377      1.878592  
1 1 1 -7  32 14 f 80.48792 0.9746315 65.02074       1.567480  63.47384       2.161776  66.73563       2.276146  -2.006317      1.949263  
1 1 1 -7  32 15 o 81.76923 0.9877270 67.11964       1.613911  65.43286       2.226967  68.98553       2.342222  -2.151688      1.975454  
1 1 1 -7  32 16 o 41.41967 0.7536121 17.20061       0.6241695 16.82681       0.8729277 17.59166       0.8928267 -0.9205055     1.507224  
1 1 1 -7  32 17 o 22.46239 0.8956239 5.068913       0.4022394 5.160567       0.5656991 4.975187       0.5720590 0.4137344      1.791248  
1 1 1 -7  32 18 o 24.50195 0.8593383 6.020037       0.4201758 5.480233       0.5833994 6.601828       0.6056624 -2.285040      1.718677  
1 1 1 -7  32 19 o 41.77713 0.7587858 17.44197       0.6327482 16.35750       0.8631960 18.70145       0.9302428 -2.795174      1.517572  
1 1 1 -7  32 20 o 18.74701 1.036756  3.531370       0.3871253 3.110539       0.5365409 3.988352       0.5591120 -2.336529      2.073512  
1 1 1 -7  32 21 o 17.64380 1.071851  3.110167       0.3720617 3.966313       0.5523329 2.398964       0.5034124 4.430885       2.143702  
1 1 1 -7  32 22 o 30.70803 0.8113775 9.467883       0.4982958 9.586397       0.7076521 9.351328       0.7017780 0.3816986      1.622755  
1 1 1 -7  32 23 o 39.40536 0.7670163 15.50423       0.6025549 13.92707       0.8219005 17.33693       0.8859861 -4.315685      1.534033  
1 1 1 -7  32 24 o 30.86045 0.7756614 9.507595       0.4756096 9.994057       0.7219033 9.134502       0.6322122 1.377319       1.551323  
1 1 1 -7  32 25 o 52.84559 0.9848024 27.79493       0.9629113 28.89886       1.744123  27.31092       1.154867  1.374191       1.969605  
1 1 1 -7  32 26 o 15.71734 1.590634  2.300955       0.4615506 3.789856       0.7946693 1.543007       0.5669873 7.233830       3.181267  
1 1 1 -7  32 27 o 23.48879 1.016421  5.488452       0.4739782 5.018625       0.6256273 6.121416       0.7261655 -2.322733      2.032841  
1 1 1 -7  32 28 o 40.78749 0.7620591 16.69049       0.6204934 16.93763       0.9084668 16.47437       0.8495167 0.5565643      1.524118  
1 1 1 -7  32 29 o 8.110948 1.689466  0.6598067      0.3281773 0.1579652      0.4908619 1.065439       0.4413085 -3.857363      3.378931  
1 1 1 -7  32 30 o 33.35194 2.562845  0.000000       0.000000  ?              ?         11.37850       1.709517  ?              ?         
1 1 1 -7  32 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  33 1  o 52.09188 0.7702323 27.15699       0.8014969 28.75283       1.167203  25.73309       1.102535  2.889019       1.540465  
1 1 1 -7  33 2  o 49.96728 0.7698238 24.93286       0.7675632 26.94621       1.131421  23.21615       1.044749  3.719883       1.539648  
1 1 1 -7  33 3  o 72.75433 0.9167594 53.14621       1.333669  54.49389       1.909182  51.86180       1.863822  1.801033       1.833519  
1 1 1 -7  33 4  f 51.84373 0.7830747 26.89783       0.8109230 28.59072       1.181202  25.38865       1.115272  3.078419       1.566149  
1 1 1 -7  33 5  o 76.34419 0.9450045 58.55759       1.442833  59.18479       2.053505  57.94606       2.027687  0.8066406      1.890009  
1 1 1 -7  33 6  f 20.27121 1.518159  4.197808       0.6095880 4.705972       0.8453290 3.647250       0.8798839 2.621313       3.036318  
1 1 1 -7  33 7  o 16.35018 1.755698  3.141025       0.4891910 3.907917       0.6135092 1.802277       0.8105940 6.706966       3.511397  
1 1 1 -7  33 8  o 53.14075 1.173845  28.42639       1.246605  27.82404       1.722671  29.08859       1.806227  -1.170803      2.347689  
1 1 1 -7  33 9  o 73.03616 1.348848  53.86733       1.970060  54.83860       2.811151  52.92994       2.761679  1.293594       2.697695  
1 1 1 -7  33 10 o 60.46329 1.111125  36.21100       1.301759  39.18472       2.159281  34.51311       1.631601  3.747677       2.222249  
1 1 1 -7  33 11 f 30.25402 0.9919761 8.655398       0.5478455 10.55642       1.050851  7.945877       0.6419926 4.234003       1.983952  
1 1 1 -7  33 12 o 24.73884 0.8358225 6.142002       0.4133471 6.414680       0.5902304 5.879554       0.5790520 1.079685       1.671645  
1 1 1 -7  33 13 o 33.70828 0.7598864 11.33842       0.5102051 12.88712       0.7498174 10.00316       0.6962364 4.269682       1.519773  
1 1 1 -7  33 14 o 36.64151 0.7492697 13.47067       0.5489005 13.91918       0.7783059 13.02684       0.7742352 1.217033       1.498539  
1 1 1 -7  33 15 o 6.562977 1.681184  0.2360402      0.3216704 -0.2047071     0.4529304 0.6845803      0.4569170 -3.267164      3.362368  
1 1 1 -7  33 16 o 27.96894 0.8153512 7.854897       0.4560748 7.776895       0.6447298 7.933024       0.6452449 -0.2790222     1.630702  
1 1 1 -7  33 17 o 40.80437 0.7674302 16.71128       0.6262619 16.78060       0.8906196 16.64348       0.8807982 0.1663322      1.534860  
1 1 1 -7  33 18 o 38.66724 0.7667572 14.98106       0.5924557 15.76801       0.8581536 14.26439       0.8189393 1.937630       1.533514  
1 1 1 -7  33 19 o 27.78271 0.8387581 7.705167       0.4629802 6.546389       0.6305882 9.060308       0.6819270 -4.514807      1.677516  
1 1 1 -7  33 20 o 62.06081 0.8540140 38.68137       1.059858  39.42282       1.514373  37.96955       1.483827  1.165020       1.708028  
1 1 1 -7  33 21 o 35.39873 0.8522310 12.66624       0.5984867 11.87058       0.8877497 13.32915       0.8103161 -2.075218      1.704462  
1 1 1 -7  33 22 o 39.90715 1.082991  15.98570       0.8623680 16.99826       1.273888  15.12913       1.171660  2.315815       2.165982  
1 1 1 -7  33 23 o 25.18161 1.162890  6.662773       0.5443000 7.212265       0.6742026 5.634298       0.9223731 3.201311       2.325779  
1 1 1 -7  33 24 o 51.25347 0.7902336 26.17519       0.8062535 28.59555       1.214193  24.26630       1.078296  4.196236       1.580467  
1 1 1 -7  33 25 o 55.63703 0.8144526 31.09218       0.9057713 31.27326       1.304537  30.92362       1.258606  0.3049812      1.628905  
1 1 1 -7  33 26 o 18.85053 1.298784  3.393606       0.4276694 4.016174       0.8761231 3.198856       0.4900160 2.046778       2.597568  
1 1 1 -7  33 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  34 1  o 67.27040 1.311705  45.74543       1.764621  46.55223       2.500711  44.94523       2.490422  1.191422       2.623411  
1 1 1 -7  34 2  o 72.95425 1.181414  52.75389       1.560025  51.52633       1.838543  55.91007       2.948024  -2.717087      2.362829  
1 1 1 -7  34 3  f 24.24450 0.8296070 5.889186       0.4017275 5.628324       0.5509766 6.185262       0.5869889 -1.141916      1.659214  
1 1 1 -7  34 4  o 24.13852 0.8325089 5.854097       0.4009544 5.338193       0.5618139 6.389636       0.5724047 -2.175970      1.665018  
1 1 1 -7  34 5  o 17.97328 1.009971  3.244262       0.3510415 2.228371       0.4752035 4.464560       0.5208218 -6.210881      2.019942  
1 1 1 -7  34 6  o 17.04498 1.016011  2.924124       0.3463456 2.958340       0.4916813 2.890425       0.4879533 0.1983757      2.032023  
1 1 1 -7  34 7  o 65.08755 0.8624940 42.43389       1.120911  44.90055       1.643443  40.28831       1.532754  3.521759       1.724988  
1 1 1 -7  34 8  o 26.55043 0.8056893 7.079539       0.4269864 7.101445       0.5862712 7.054794       0.6231112 0.9446526E-01  1.611379  
1 1 1 -7  34 9  f 49.81747 0.7702250 24.82455       0.7660312 26.42430       1.124825  23.44085       1.046116  2.980930       1.540450  
1 1 1 -7  34 10 o 46.52031 0.7663333 21.70101       0.7125654 22.78705       1.023624  20.67994       0.9925348 2.259464       1.532667  
1 1 1 -7  34 11 o 46.23152 0.7682440 21.43387       0.7100275 22.10362       1.022612  20.81044       0.9866158 1.392502       1.536488  
1 1 1 -7  34 12 o 77.07301 0.9569249 59.30059       1.467449  55.63036       1.958049  64.00353       2.216466  -5.377220      1.913850  
1 1 1 -7  34 13 o 28.35587 0.8061682 8.074736       0.4570827 8.015322       0.6521693 8.132097       0.6408057 -0.2079601     1.612336  
1 1 1 -7  34 14 o 31.13831 0.7874963 9.638898       0.4877136 8.418489       0.6561184 11.14592       0.7291027 -4.366516      1.574993  
1 1 1 -7  34 15 o 28.21589 0.8346170 7.995205       0.4707757 7.923989       0.6547551 8.071427       0.6773759 -0.2569160     1.669234  
1 1 1 -7  34 16 o 66.91091 0.8898412 44.96098       1.189908  43.89466       1.644649  46.13227       1.723702  -1.655548      1.779682  
1 1 1 -7  34 17 f 55.74654 0.9931446 31.54268       1.066628  30.30226       1.744015  32.28391       1.348161  -1.871166      1.986289  
1 1 1 -7  34 18 o 17.76684 2.206699  3.210814       0.7841212 3.210814       0.7841212 ?              ?         ?              ?         
1 1 1 -7  34 19 o 20.08430 1.526808  4.067355       0.6132975 4.067355       0.6132975 ?              ?         ?              ?         
1 1 1 -7  34 20 o 32.13395 1.090320  10.72734       0.6763557 12.01396       0.8849869 8.920489       1.048753  4.856493       2.180640  
1 1 1 -7  34 21 o 64.10813 1.276226  41.55453       1.635901  41.31424       2.284723  41.80732       2.343421  -0.3663025     2.552452  
1 1 1 -7  34 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  34 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  35 1  o 38.98174 0.7484966 15.22062       0.5827258 16.39528       0.8447749 14.15431       0.8048698 2.867138       1.496993  
1 1 1 -7  35 2  o 27.28961 0.8013696 7.510585       0.4355124 8.135166       0.6079069 6.852007       0.6242328 2.354156       1.602739  
1 1 1 -7  35 3  o 13.11642 1.233673  1.741649       0.3229372 1.850765       0.4534155 1.629311       0.4600613 0.8461676      2.467347  
1 1 1 -7  35 4  f 32.27389 0.7584521 10.45505       0.4894118 10.37918       0.6826181 10.53530       0.7020567 -0.2383003     1.516904  
1 1 1 -7  35 5  o 41.39706 0.7455269 17.19827       0.6170719 17.03133       0.8606603 17.37486       0.8852000 -0.4104691     1.491054  
1 1 1 -7  35 6  f 21.29827 0.9116937 4.541561       0.3866517 5.183617       0.5661489 3.980316       0.5293230 2.816692       1.823387  
1 1 1 -7  35 7  o 11.86701 1.499916  1.458384       0.3467721 1.300930       0.4909145 1.615192       0.4899067 -1.518913      2.999832  
1 1 1 -7  35 8  o 88.65475 1.057225  79.18139       1.874083  80.67352       2.687805  77.76962       2.614425  1.618462       2.114451  
1 1 1 -7  35 9  o 44.15502 0.7686692 19.57941       0.6785207 19.61155       0.9462471 19.54539       0.9734786 0.8016968E-01  1.537338  
1 1 1 -7  35 10 o 66.99873 0.8814896 45.08973       1.180216  44.01863       1.629927  46.27030       1.711193  -1.662308      1.762979  
1 1 1 -7  35 11 o 34.88972 0.7728297 12.17640       0.5381940 11.40919       0.7340086 13.06846       0.7914789 -2.366692      1.545659  
1 1 1 -7  35 12 f 30.26120 0.8610314 9.185383       0.5171225 9.363161       0.7845754 9.048827       0.6876215 0.4985771      1.722063  
1 1 1 -7  35 13 o 23.76471 1.173002  5.703776       0.5572105 5.627105       0.7981536 5.776672       0.7782524 -0.3204231     2.346003  
1 1 1 -7  35 14 o 35.27573 1.028211  12.52068       0.7248421 11.84738       1.008239  13.24093       1.042798  -1.966568      2.056422  
1 1 1 -7  35 15 o 48.12419 1.014498  23.42772       0.9719637 21.35784       1.395701  25.37679       1.354360  -4.185852      2.028997  
1 1 1 -7  35 16 o 8.905230 3.736613  0.000000       0.000000  ?              ?         0.2074287      1.124302  ?              ?         
1 1 1 -7  35 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  36 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  36 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  36 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  36 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -7  36 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  0  1  o 113.1151 1.716813  128.0891       3.878729  125.9694       5.403051  130.3430       5.571529  -0.000000      0.000000  
1 1 1 -6  0  2  o 366.2124 5.394320  1336.408       39.25053  1422.319       59.36784  1269.694       52.31580  -0.000000      0.000000  
1 1 1 -6  0  3  o 109.2729 1.664439  119.4806       3.631301  122.3843       5.254706  116.8263       5.023935  -0.000000      0.000000  
1 1 1 -6  0  4  o 119.7834 1.808614  143.7010       4.328423  143.5176       6.111084  143.8857       6.131595  -0.000000      0.000000  
1 1 1 -6  0  5  o 386.3191 5.688127  1496.183       43.88518  1474.741       60.96046  1519.250       63.22766  -0.000000      0.000000  
1 1 1 -6  0  6  o 202.0123 2.992028  407.5553       12.04509  425.5107       17.82326  392.4610       16.34169  -0.000000      0.000000  
1 1 1 -6  0  7  o 432.0113 6.365694  1870.988       54.90054  1833.350       75.79749  1912.525       79.62610  -0.000000      0.000000  
1 1 1 -6  0  8  o 438.7458 6.475197  1927.050       56.65459  1862.012       77.28831  2002.584       83.29143  -0.000000      0.000000  
1 1 1 -6  0  9  o 491.8113 7.235063  2420.827       70.91315  2526.693       104.8999  2331.733       96.23241  -0.000000      0.000000  
1 1 1 -6  0  10 o 115.1956 1.747644  132.8151       4.020098  135.4105       5.801350  130.4174       5.575904  -0.000000      0.000000  
1 1 1 -6  0  11 o 290.6070 4.280268  846.2274       24.85269  842.7204       34.98205  849.8015       35.31433  -0.000000      0.000000  
1 1 1 -6  0  12 o 106.3050 1.628230  113.1762       3.458133  113.3307       4.902522  113.0233       4.878643  -0.000000      0.000000  
1 1 1 -6  0  13 o 130.1763 1.974052  169.6865       5.133459  171.0868       7.335207  168.3425       7.186687  -0.000000      0.000000  
1 1 1 -6  0  14 o 37.10113 0.7659190 13.69764       0.5651333 12.46361       0.7620965 15.20529       0.8423551 -0.000000      0.000000  
1 1 1 -6  0  15 o 635.1392 9.351995  4023.847       118.0740  4281.343       178.0940  3821.896       157.7200  -0.000000      0.000000  
1 1 1 -6  0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  0  17 o 593.7377 8.781795  3537.627       104.1701  3513.778       148.0286  3561.024       146.6190  -0.000000      0.000000  
1 1 1 -6  0  18 o 591.4685 8.743762  3493.781       102.9474  3329.412       138.5670  3696.278       153.8010  -0.000000      0.000000  
1 1 1 -6  0  19 o 266.1545 3.932736  709.6057       20.91347  705.8933       29.45347  713.3803       29.70028  -0.000000      0.000000  
1 1 1 -6  0  20 o 454.1453 6.676775  2061.444       60.41488  1984.789       81.84908  2153.200       89.54816  -0.000000      0.000000  
1 1 1 -6  0  21 f 460.1973 6.766446  2121.958       62.16257  2076.414       85.77853  2172.331       90.21117  -0.000000      0.000000  
1 1 1 -6  0  22 o 175.5965 2.618344  308.8385       9.186302  309.0620       13.01067  308.6162       12.97220  -0.000000      0.000000  
1 1 1 -6  0  23 o 46.57854 0.8967487 21.73241       0.8337690 21.08161       1.164084  22.41796       1.194769  -0.000000      0.000000  
1 1 1 -6  0  24 o 184.8130 2.752963  341.9315       10.15958  336.0599       14.08226  348.3047       14.67149  -0.000000      0.000000  
1 1 1 -6  0  25 o 570.4026 8.407825  3242.270       95.05745  3048.810       125.3260  3504.325       145.8619  -0.000000      0.000000  
1 1 1 -6  0  26 o 111.0725 1.707599  123.5470       3.788714  122.2739       5.299810  124.8776       5.418254  -0.000000      0.000000  
1 1 1 -6  0  27 o 110.7958 1.704225  122.9583       3.772347  123.3404       5.357126  122.5824       5.312957  -0.000000      0.000000  
1 1 1 -6  0  28 o 19.59331 1.292559  3.889202       0.5020099 3.889202       0.5020099 3.889202       0.5020099 -0.000000      0.000000  
1 1 1 -6  0  29 o 123.7357 3.808139  153.6652       9.404403  153.6652       9.404403  153.6652       9.404403  -0.000000      0.000000  
1 1 1 -6  0  30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  0  31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  0  32 o 20.65031 1.418003  4.324935       0.5800502 4.324935       0.5800502 4.324935       0.5800502 -0.000000      0.000000  
1 1 1 -6  0  33 o 146.6669 2.668881  219.1711       7.627681  198.1954       11.84055  234.0509       9.972687  -0.000000      0.000000  
1 1 1 -6  0  34 o 247.0881 3.662148  612.5414       18.07918  609.5837       25.44569  615.5568       25.69173  -0.000000      0.000000  
1 1 1 -6  0  35 o 207.6953 3.093701  432.3968       12.83270  425.3020       17.83599  440.0110       18.47734  -0.000000      0.000000  
1 1 1 -6  0  36 o 153.9277 2.326182  237.3773       7.151078  233.1835       9.942572  241.8719       10.29282  -0.000000      0.000000  
1 1 1 -6  0  37 o 77.19099 1.280972  59.59977       1.972492  61.63571       2.881583  57.80469       2.705760  -0.000000      0.000000  
1 1 1 -6  0  38 o 45.61698 0.9460302 20.86871       0.8611374 20.82611       1.234209  20.90912       1.202091  -0.000000      0.000000  
1 1 1 -6  0  39 o 11.87753 1.810545  1.595172       0.3659043 0.9813208      0.4856716 2.400988       0.5564541 -0.000000      0.000000  
1 1 1 -6  0  40 o 8.464419 2.156579  0.9730541      0.3482146 1.172470       0.4742047 0.7396955      0.5129769 -0.000000      0.000000  
1 1 1 -6  0  41 o 124.3110 1.912171  154.9798       4.748380  153.2473       6.646604  156.7859       6.786012  -0.000000      0.000000  
1 1 1 -6  0  42 o 65.63703 1.148920  43.18283       1.506055  42.54164       2.114092  43.84354       2.146035  -0.000000      0.000000  
1 1 1 -6  0  43 o 92.58540 1.485860  85.96998       2.748175  86.07843       3.899618  85.86297       3.873526  -0.000000      0.000000  
1 1 1 -6  0  44 o 58.44674 1.083916  34.24694       1.264898  33.51555       1.771601  35.00749       1.806584  -0.000000      0.000000  
1 1 1 -6  0  45 o 54.14728 1.060497  29.38867       1.145646  29.96095       1.658670  28.86658       1.584267  -0.000000      0.000000  
1 1 1 -6  0  46 o 62.68836 1.136866  39.35949       1.421554  40.51222       2.072551  38.33539       1.953490  -0.000000      0.000000  
1 1 1 -6  0  47 o 151.8829 2.314083  232.0642       7.019376  228.2941       9.763534  236.0976       10.09875  -0.000000      0.000000  
1 1 1 -6  0  48 o 183.2488 2.769093  338.8121       10.13791  340.1794       14.41481  337.4738       14.26078  -0.000000      0.000000  
1 1 1 -6  0  49 o 68.81718 1.218081  47.53103       1.674072  47.06654       2.371311  47.99255       2.363697  -0.000000      0.000000  
1 1 1 -6  0  50 o 18.67232 1.233944  3.584131       0.4529909 3.744753       0.6438262 3.426663       0.6374730 -0.000000      0.000000  
1 1 1 -6  0  51 o 20.32927 1.209453  4.226763       0.4849202 4.338970       0.6940716 4.119762       0.6777801 -0.000000      0.000000  
1 1 1 -6  0  52 o 58.89951 1.124432  34.83699       1.322292  34.80779       1.883387  34.86537       1.856901  -0.000000      0.000000  
1 1 1 -6  0  53 o 6.586965 2.389729  0.6278703      0.4132484 0.8402400      0.5751987 0.4013122      0.5941025 -0.000000      0.000000  
1 1 1 -6  0  54 o 55.96317 1.124378  31.43143       1.255458  30.21550       1.740633  32.74987       1.812521  -0.000000      0.000000  
1 1 1 -6  0  55 o 48.92136 1.099892  23.97504       1.071065  25.27757       1.584776  22.87983       1.453194  -0.000000      0.000000  
1 1 1 -6  0  56 o 46.61781 1.105384  21.68122       1.023023  23.69313       1.543157  20.10369       1.366453  -0.000000      0.000000  
1 1 1 -6  0  57 o 36.73005 1.081901  13.59070       0.7915156 13.95039       1.137357  13.25290       1.102214  -0.000000      0.000000  
1 1 1 -6  0  58 o 19.96222 2.580894  4.458142       0.7128300 4.321515       1.572928  4.493454       0.7996606 -0.000000      0.000000  
1 1 1 -6  0  59 o 47.66566 2.334763  23.05033       2.214382  23.05033       2.214382  23.05033       2.214382  -0.000000      0.000000  
1 1 1 -6  0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  1  1  o 328.3849 3.417718  1058.417       22.05670  1191.502       35.33010  973.4171       28.23504  33.11493       6.835436  
1 1 1 -6  1  2  o 149.7493 1.580072  223.1885       4.711586  213.1247       6.320322  235.7767       7.068687  -7.558899      3.160145  
1 1 1 -6  1  3  o 437.2762 4.581375  1914.407       40.03621  1964.214       58.00226  1869.081       55.33160  10.83200       9.162750  
1 1 1 -6  1  4  o 255.1932 2.661494  646.4760       13.49262  695.4244       20.55915  609.4434       17.88251  16.81963       5.322987  
1 1 1 -6  1  5  o 422.3596 4.408773  1781.011       37.11771  1712.660       50.12020  1864.030       55.23674  -17.83524      8.817547  
1 1 1 -6  1  6  o 43.09827 0.5578709 18.56711       0.4807604 18.12996       0.6718417 19.02587       0.6882508 -1.039337      1.115742  
1 1 1 -6  1  7  o 295.4275 3.075815  873.6367       18.17354  873.3626       25.66382  873.9122       25.73886  -0.9216309E-01 6.151631  
1 1 1 -6  1  8  o 305.9790 3.193904  927.6138       19.37639  869.1027       25.47689  1007.897       29.84278  -22.62970      6.387808  
1 1 1 -6  1  9  o 186.1664 1.951753  345.5710       7.246603  361.2362       10.74058  332.4816       9.817947  7.716537       3.903507  
1 1 1 -6  1  10 o 426.0004 4.442933  1817.846       37.85188  1839.334       53.84656  1796.855       53.22022  4.976807       8.885865  
1 1 1 -6  1  11 o 117.1308 1.258323  135.8863       2.924650  147.4809       4.486280  127.3168       3.856870  8.605240       2.516646  
1 1 1 -6  1  12 o 390.1464 4.059124  1520.459       31.60715  1474.719       43.08308  1573.770       46.51212  -12.66080      8.118249  
1 1 1 -6  1  13 o 325.6357 3.385706  1059.212       22.01922  1027.720       30.19204  1094.994       32.18297  -10.31586      6.771412  
1 1 1 -6  1  14 o 267.8643 2.787029  717.7832       14.93046  715.1180       21.01919  720.4974       21.21185  -1.003113      5.574058  
1 1 1 -6  1  15 o 455.1396 4.722911  2068.881       42.90142  2001.150       58.45283  2147.971       63.16426  -16.08850      9.445822  
1 1 1 -6  1  16 f 347.8983 5.110738  1209.916       35.50578  1248.305       51.95790  1176.284       48.63240  10.31863       10.22148  
1 1 1 -6  1  17 o 102.3256 1.113042  104.3453       2.271618  109.4786       3.366127  100.0525       3.078247  4.605301       2.226084  
1 1 1 -6  1  18 o 504.6920 5.230362  2550.917       52.79169  2537.049       74.20863  2565.126       75.11713  -2.772125      10.46072  
1 1 1 -6  1  19 o 229.0984 2.391483  524.0638       10.93992  508.9844       14.97096  541.3428       16.02561  -7.056808      4.782966  
1 1 1 -6  1  20 o 193.7942 2.031161  375.0016       7.860571  387.0965       11.50191  364.4020       10.76745  5.851852       4.062322  
1 1 1 -6  1  21 o 252.9817 2.640525  640.0403       13.35405  631.3802       18.55993  649.3361       19.22877  -3.544235      5.281049  
1 1 1 -6  1  22 f 156.0722 1.657792  241.3385       5.135921  226.0669       6.781963  261.8729       7.864183  -11.46571      3.315584  
1 1 1 -6  1  23 o 161.4068 1.705605  260.5259       5.504670  263.5836       7.885848  257.6201       7.687497  1.846222       3.411210  
1 1 1 -6  1  24 o 53.59288 0.6792277 28.22438       0.7203010 25.45330       0.9387633 32.19116       1.123182  -6.285660      1.358455  
1 1 1 -6  1  25 f 211.7251 2.727283  446.5184       10.79642  454.8585       19.09628  442.6002       13.08913  2.820862       5.454566  
1 1 1 -6  1  26 o 191.8992 2.852523  368.6852       10.94771  370.4350       15.54368  366.9626       15.42185  0.9028931      5.705046  
1 1 1 -6  1  27 o 268.4490 3.962366  722.2891       21.26674  732.9360       30.55223  712.2814       29.62080  3.824860       7.924731  
1 1 1 -6  1  28 o 266.1288 3.929928  710.3335       20.91452  704.0590       29.29172  716.8590       29.87202  -2.388611      7.859856  
1 1 1 -6  1  29 f 110.7034 1.458234  124.5041       3.127789  131.0345       4.018541  114.4677       4.981794  7.493622       2.916468  
1 1 1 -6  1  30 o 212.8638 2.230287  453.6030       9.494857  454.7592       13.46318  452.4590       13.39261  0.5390472      4.460573  
1 1 1 -6  1  31 o 145.0880 1.545701  210.6052       4.484995  212.1297       6.384439  209.1200       6.301849  1.036163       3.091401  
1 1 1 -6  1  32 o 272.7435 3.494341  744.8083       17.91012  742.1290       21.84668  750.2999       31.27663  -1.205048      6.988682  
1 1 1 -6  1  33 o 115.4176 1.773912  132.7160       4.079365  126.7344       5.490300  140.0883       6.095183  -5.774574      3.547825  
1 1 1 -6  1  34 f 125.0440 1.909824  155.5268       4.751082  147.3594       6.340444  165.9848       7.174726  -7.430435      3.819648  
1 1 1 -6  1  35 o 69.00680 1.171170  47.64038       1.616285  47.58548       2.273319  47.69651       2.298432  -0.8010864E-01 2.342339  
1 1 1 -6  1  36 o 97.00199 1.307272  95.51928       2.453296  88.47630       3.931209  100.0117       3.139700  -5.959946      2.614543  
1 1 1 -6  1  37 o 62.20924 0.7776328 38.70747       0.9674619 38.97343       1.377272  38.44839       1.359300  0.4217720      1.555266  
1 1 1 -6  1  38 o 62.93766 0.7819042 39.54912       0.9829624 41.06246       1.435120  38.21175       1.349102  2.263451       1.563808  
1 1 1 -6  1  39 o 95.90910 1.073261  92.03580       2.058403  93.03880       2.941896  91.07382       2.881098  1.022919       2.146522  
1 1 1 -6  1  40 o 58.24202 0.7522284 33.45349       0.8685765 30.44545       1.139992  37.61621       1.341063  -6.151886      1.504457  
1 1 1 -6  1  41 o 100.7231 1.121870  101.1324       2.252525  96.50621       3.040179  106.7628       3.353993  -5.079964      2.243741  
1 1 1 -6  1  42 o 92.32634 1.043706  85.01884       1.921792  81.36030       2.602309  89.40768       2.850228  -4.348763      2.087412  
1 1 1 -6  1  43 o 126.2154 1.370577  159.3847       3.454621  154.6231       4.733015  164.8138       5.053899  -4.017593      2.741155  
1 1 1 -6  1  44 o 86.51913 0.9949201 74.93636       1.721281  75.90205       2.462857  74.01424       2.406635  1.088326       1.989840  
1 1 1 -6  1  45 o 76.27451 0.9749411 58.37060       1.483945  62.43522       2.088996  54.23025       2.108369  5.379578       1.949882  
1 1 1 -6  1  46 o 97.89548 1.104077  96.01968       2.161615  95.66013       3.042715  96.38609       3.071458  -0.3689880     2.208155  
1 1 1 -6  1  47 o 91.55727 1.047123  83.30400       1.905697  78.06747       2.531106  90.15757       2.895658  -6.576607      2.094246  
1 1 1 -6  1  48 o 92.22044 1.055235  85.20068       1.945673  86.56374       2.794279  83.91784       2.710812  1.428322       2.110471  
1 1 1 -6  1  49 o 50.93579 0.7323680 25.92082       0.7452111 24.79269       1.024393  27.18892       1.086085  -2.348480      1.464736  
1 1 1 -6  1  50 o 28.59030 0.7222305 8.177901       0.4118518 9.037290       0.5926365 7.375182       0.5727645 2.905445       1.444461  
1 1 1 -6  1  51 o 37.58302 0.7066352 14.11759       0.5306168 14.83980       0.7711368 13.46814       0.7312610 1.821896       1.413270  
1 1 1 -6  1  52 o 21.80922 0.8288887 4.757999       0.3611892 4.971338       0.5252153 4.566576       0.4975076 0.9253807      1.657777  
1 1 1 -6  1  53 o 33.53865 0.7297328 11.26811       0.4894528 11.14683       0.6874022 11.39283       0.6970807 -0.3658600     1.459466  
1 1 1 -6  1  54 f 29.51495 0.7624382 8.710366       0.4491039 7.942969       0.6203441 9.555544       0.6510236 -2.728636      1.524876  
1 1 1 -6  1  55 f 17.86543 0.9919830 3.208088       0.3522996 2.764859       0.4915498 3.676245       0.5051837 -2.548775      1.983966  
1 1 1 -6  1  56 o 21.44269 0.9289265 4.588517       0.3931652 5.705680       0.5800467 3.639020       0.5347504 4.812771       1.857853  
1 1 1 -6  1  57 o 9.700854 1.706657  0.9931149      0.3485746 0.5205448      0.4948314 1.458600       0.4911077 -4.256694      3.413315  
1 1 1 -6  1  58 o 14.19901 1.622918  2.213759       0.4197430 2.625803       0.5407066 1.588902       0.6658559 3.897465       3.245836  
1 1 1 -6  1  59 o 27.60061 2.617806  7.760588       1.445061  7.760588       1.445061  ?              ?         ?              ?         
1 1 1 -6  1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  2  1  o 175.9962 1.846414  307.6646       6.460442  291.1050       8.592793  329.1966       9.798335  -10.81339      3.692828  
1 1 1 -6  2  2  o 269.3109 2.801178  721.1769       15.00307  684.3768       19.99265  768.6154       22.69924  -15.61136      5.602356  
1 1 1 -6  2  3  o 392.0988 4.077001  1539.742       31.96347  1524.834       44.61388  1555.465       45.81646  -3.887695      8.154002  
1 1 1 -6  2  4  o 328.5378 3.432657  1079.856       22.53929  1102.375       32.61262  1059.264       31.18595  6.542908       6.865314  
1 1 1 -6  2  5  f 309.3458 3.220850  957.3967       19.91692  940.4647       27.64081  975.6819       28.72397  -5.679230      6.441700  
1 1 1 -6  2  6  f 336.6389 3.526891  1132.717       23.70969  1169.534       34.69336  1100.454       32.47736  10.23141       7.053783  
1 1 1 -6  2  7  o 195.5007 2.053690  381.3373       8.011599  368.0354       10.89780  396.9813       11.81833  -7.396149      4.107379  
1 1 1 -6  2  8  o 210.2140 2.195439  441.7299       9.223512  451.6340       13.35297  432.6921       12.75556  4.500748       4.390878  
1 1 1 -6  2  9  o 416.7654 4.338655  1734.911       36.06956  1807.554       53.35739  1673.778       48.94755  15.98544       8.677309  
1 1 1 -6  2  10 o 128.2739 1.364721  162.8749       3.471301  177.1271       5.343908  152.4711       4.565744  9.607452       2.729441  
1 1 1 -6  2  11 o 378.8909 4.259088  1440.958       32.13908  1395.577       47.24542  1480.047       43.84758  -11.18463      8.518176  
1 1 1 -6  2  12 f 472.2762 4.933872  2231.909       46.58112  2168.963       64.68214  2299.726       67.13774  -13.81693      9.867743  
1 1 1 -6  2  13 o 187.7897 1.967329  352.7248       7.388874  352.8295       10.45847  352.6206       10.44045  0.5555725E-01  3.934658  
1 1 1 -6  2  14 f 401.7147 4.177085  1614.091       33.53875  1644.924       48.46497  1585.756       46.46043  7.349152       8.354170  
1 1 1 -6  2  15 o 277.7842 3.339465  771.9576       18.55018  764.9960       25.96505  779.2153       26.51130  -2.556061      6.678930  
1 1 1 -6  2  16 o 518.4784 5.390005  2684.917       55.75176  2793.815       82.39304  2592.945       75.71890  19.30197       10.78001  
1 1 1 -6  2  17 o 169.7534 1.789245  288.1160       6.072905  284.3367       8.468902  292.1163       8.713071  -2.290588      3.578490  
1 1 1 -6  2  18 o 316.9143 3.295688  999.6102       20.79134  1058.115       31.25860  953.1907       27.84360  16.53137       6.591376  
1 1 1 -6  2  19 o 302.4978 3.145815  915.1312       19.02325  930.1594       27.40312  901.1524       26.42917  4.788025       6.291629  
1 1 1 -6  2  20 o 225.9778 2.359933  510.6136       10.66153  502.9704       14.82771  518.7949       15.34074  -3.498444      4.719866  
1 1 1 -6  2  21 o 288.5098 3.692663  827.3290       19.86033  849.5004       35.39389  817.1400       23.99366  5.497070       7.385326  
1 1 1 -6  2  22 o 313.0864 4.209806  979.9908       25.75088  989.7052       41.16852  973.7473       33.00443  2.445618       8.419613  
1 1 1 -6  2  23 f 109.5671 1.680034  118.8904       3.651289  129.0898       5.611493  111.4014       4.808429  8.067291       3.360067  
1 1 1 -6  2  24 f 325.6685 4.805161  1062.515       31.26997  1083.433       45.35577  1043.564       43.16999  6.078705       9.610322  
1 1 1 -6  2  25 o 181.7476 2.703026  329.3387       9.792672  315.6652       13.21894  345.9695       14.57854  -8.319595      5.406051  
1 1 1 -6  2  26 o 454.2171 5.805426  2067.358       49.48199  2055.496       60.24945  2091.939       86.73176  -3.200134      11.61085  
1 1 1 -6  2  27 o 336.3230 3.499657  1131.423       23.50157  1168.964       34.43533  1098.691       32.15427  10.39789       6.999313  
1 1 1 -6  2  28 o 283.0347 2.950111  802.0820       16.69175  816.2621       24.05309  788.9097       23.18237  4.813202       5.900222  
1 1 1 -6  2  29 o 162.7332 1.722943  264.9547       5.606657  262.6516       7.844489  267.3599       8.016325  -1.444244      3.445886  
1 1 1 -6  2  30 o 428.6998 4.460828  1845.629       38.24257  1861.464       54.58852  1830.367       53.59158  3.592316       8.921656  
1 1 1 -6  2  31 o 191.3689 2.012355  366.3413       7.697931  373.2630       11.10594  359.9407       10.67961  3.473602       4.024711  
1 1 1 -6  2  32 o 117.5010 1.273193  137.6708       2.983974  132.3521       4.045703  144.0160       4.418903  -4.959023      2.546386  
1 1 1 -6  2  33 o 188.8269 1.987777  356.3476       7.496295  367.7334       10.95618  346.3260       10.27893  5.655228       3.975554  
1 1 1 -6  2  34 o 158.4355 1.684443  251.2320       5.337420  252.0258       7.574574  250.4492       7.522203  0.4965973      3.368885  
1 1 1 -6  2  35 o 65.21020 0.9766153 42.78730       1.210050  43.35291       1.499015  41.72937       2.050108  1.251144       1.953231  
1 1 1 -6  2  36 o 86.17734 1.385530  74.30351       2.387655  75.35258       3.413628  73.29871       3.340856  1.190231       2.771059  
1 1 1 -6  2  37 o 113.2118 1.752342  127.7925       3.954236  134.8419       5.892191  122.0161       5.333696  5.648712       3.504684  
1 1 1 -6  2  38 o 32.62635 0.9028187 10.65098       0.5889944 10.73444       0.8266582 10.56492       0.8394161 0.2600174      1.805637  
1 1 1 -6  2  39 o 137.3416 1.827237  184.8933       4.588731  199.2409       8.562079  179.1116       5.435222  7.198105       3.654475  
1 1 1 -6  2  40 o 109.0820 1.202314  118.8878       2.619046  115.0699       3.586598  123.2494       3.833499  -3.740944      2.404629  
1 1 1 -6  2  41 o 83.90686 0.9666868 70.14474       1.616886  74.28516       2.408177  66.74619       2.181791  4.485222       1.933374  
1 1 1 -6  2  42 f 113.1368 1.241550  127.6638       2.799818  134.5495       4.170891  122.0161       3.777373  5.520966       2.483100  
1 1 1 -6  2  43 o 60.08507 0.7719475 36.08514       0.9269093 35.07233       1.279974  37.20194       1.344069  -1.769962      1.543895  
1 1 1 -6  2  44 o 54.15133 0.7374432 28.88345       0.7913204 26.05638       1.036711  32.82983       1.224869  -6.247517      1.474886  
1 1 1 -6  2  45 o 80.30020 1.017458  64.55878       1.618514  64.41496       2.145011  64.74895       2.466326  -0.1905823     2.034916  
1 1 1 -6  2  46 o 118.3065 1.299305  139.9300       3.067062  146.1855       4.528850  134.6304       4.168485  4.856613       2.598611  
1 1 1 -6  2  47 f 82.55371 0.9665863 68.27170       1.595854  68.66497       2.268009  67.88605       2.245910  0.4703064      1.933173  
1 1 1 -6  2  48 o 37.17292 0.6805505 13.78610       0.5051227 14.69451       0.7401222 12.99404       0.6910976 2.284859       1.361101  
1 1 1 -6  2  49 o 43.79795 0.7111578 19.00270       0.6196131 21.41656       0.9352959 17.11472       0.8271640 4.904617       1.422316  
1 1 1 -6  2  50 o 93.09538 1.068614  86.90370       1.989204  85.78429       2.777425  88.08266       2.850308  -1.227127      2.137228  
1 1 1 -6  2  51 o 19.63978 0.8872376 3.862384       0.3479859 4.167318       0.5001882 3.576347       0.4844421 1.503065       1.774475  
1 1 1 -6  2  52 o 14.52874 1.101301  2.125823       0.3184563 1.885393       0.4503656 2.366253       0.4503649 -1.654860      2.202602  
1 1 1 -6  2  53 o 88.10876 1.033967  77.67917       1.817949  81.50052       2.682335  74.43253       2.472412  3.983688       2.067934  
1 1 1 -6  2  54 o 34.24458 0.7395757 11.72176       0.5058562 11.15795       0.6941043 12.36044       0.7387592 -1.751270      1.479151  
1 1 1 -6  2  55 o 47.26153 0.7585493 22.26709       0.7150429 24.27014       1.058129  20.58364       0.9700492 3.890469       1.517099  
1 1 1 -6  2  56 o 9.413838 1.705832  0.9306681      0.3254685 0.7530379      0.4591614 1.110043       0.4614109 -1.725857      3.411665  
1 1 1 -6  2  57 o 47.84716 0.7985526 22.91018       0.7627562 23.83822       1.120618  22.10909       1.041160  1.795876       1.597105  
1 1 1 -6  2  58 o 13.41777 1.971747  1.512595       0.4533189 2.863262       0.9668118 1.131974       0.5132328 6.128548       3.943494  
1 1 1 -6  2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  3  1  f 219.5624 2.296268  482.2661       10.08188  486.2760       14.40947  478.4205       14.11108  1.786377       4.592536  
1 1 1 -6  3  2  o 341.3834 3.548373  1166.705       24.22255  1154.903       33.86647  1179.067       34.65901  -3.528839      7.096745  
1 1 1 -6  3  3  o 379.4521 3.947866  1409.939       29.38628  1288.931       37.44147  1604.058       47.42215  -41.37872      7.895731  
1 1 1 -6  3  4  o 263.0976 2.737994  692.6694       14.40592  697.9027       20.53723  687.6002       20.21274  1.954681       5.475989  
1 1 1 -6  3  5  o 171.9460 1.804813  295.7496       6.206522  296.4137       8.804226  295.0935       8.750713  0.3835602      3.609626  
1 1 1 -6  3  6  o 116.2283 1.250818  132.3919       2.861992  150.2251       4.559787  120.7996       3.676345  12.65455       2.501636  
1 1 1 -6  3  7  o 438.5899 4.558329  1927.143       39.97813  1907.147       55.92939  1948.032       57.16611  -4.641418      9.116657  
1 1 1 -6  3  8  f 127.0162 1.350619  161.3276       3.430472  159.7161       4.800642  163.0092       4.903845  -1.295860      2.701239  
1 1 1 -6  3  9  o 78.35876 0.8730361 61.20311       1.364754  58.73168       1.852339  64.13768       2.018451  -3.449089      1.746072  
1 1 1 -6  3  10 o 430.3840 4.479765  1854.313       38.54001  1877.741       55.55289  1832.574       53.51200  5.223175       8.959530  
1 1 1 -6  3  11 f 542.2073 5.642946  2942.042       61.13493  2860.738       84.25841  3032.427       88.83905  -15.77319      11.28589  
1 1 1 -6  3  12 o 169.0336 1.776045  285.7042       6.002983  289.0627       8.595015  282.5056       8.387776  1.938843       3.552091  
1 1 1 -6  3  13 o 140.1530 1.487843  195.6409       4.157092  206.1660       6.185536  186.9711       5.613967  6.846268       2.975685  
1 1 1 -6  3  14 o 612.6295 6.389039  3729.701       77.74407  3511.089       102.9605  4019.674       118.5800  -41.32593      12.77808  
1 1 1 -6  3  15 o 277.1265 3.332858  767.7664       18.45889  785.3040       26.72658  751.7709       25.52452  6.042572       6.665717  
1 1 1 -6  3  16 o 306.4354 3.444820  938.6343       20.86288  946.1595       32.12557  933.1461       27.43555  2.091949       6.889640  
1 1 1 -6  3  17 o 282.4224 2.943395  796.7139       16.60264  774.8384       22.77434  821.5259       24.25490  -8.256927      5.886791  
1 1 1 -6  3  18 o 348.3593 4.388810  1228.462       29.47522  1162.206       47.93470  1268.745       37.37654  -15.38556      8.777620  
1 1 1 -6  3  19 f 254.6720 3.752692  649.0182       19.11055  655.9363       27.34336  642.4116       26.72020  2.650070       7.505384  
1 1 1 -6  3  20 o 203.1367 3.006706  411.2666       12.17379  431.9605       18.13389  394.2885       16.42532  9.259689       6.013413  
1 1 1 -6  3  21 o 228.2220 3.369999  521.2709       15.38085  524.9390       21.92331  517.7153       21.58426  1.579422       6.739998  
1 1 1 -6  3  22 o 296.6964 3.839336  857.8451       20.62227  827.7346       24.23448  936.8746       39.26178  -18.21304      7.678672  
1 1 1 -6  3  23 o 501.9378 5.217951  2523.677       52.33238  2465.265       72.15715  2588.497       76.01151  -12.20212      10.43590  
1 1 1 -6  3  24 o 77.41232 0.8851923 58.90966       1.353370  66.30564       2.127328  53.88107       1.754120  8.023521       1.770385  
1 1 1 -6  3  25 f 166.0533 1.752927  275.5995       5.817225  269.6463       8.041832  282.1336       8.425144  -3.756729      3.505854  
1 1 1 -6  3  26 f 124.6853 1.337889  155.2204       3.331317  150.5603       4.563593  160.5362       4.874109  -3.998123      2.675779  
1 1 1 -6  3  27 o 303.5742 3.162343  923.2165       19.19926  928.0983       27.30623  918.4435       27.00008  1.583923       6.324686  
1 1 1 -6  3  28 o 288.6570 3.008143  834.4990       17.36017  822.4114       24.16562  847.3895       24.95540  -4.308472      6.016286  
1 1 1 -6  3  29 o 62.32608 0.7600223 38.83435       0.9470757 39.45301       1.360469  38.25265       1.319218  0.9627151      1.520045  
1 1 1 -6  3  30 o 181.5890 1.913097  329.9912       6.947606  328.0369       9.766964  331.9931       9.884893  -1.087570      3.826195  
1 1 1 -6  3  31 o 222.7355 2.333542  495.0533       10.36425  518.0299       15.38358  475.9557       14.02499  9.417557       4.667085  
1 1 1 -6  3  32 o 76.10112 0.8835964 57.91100       1.344617  58.67155       1.923670  57.18440       1.880224  0.9767303      1.767193  
1 1 1 -6  3  33 o 292.5823 3.052282  856.8516       17.83425  884.1178       26.08630  832.9239       24.43725  8.697662       6.104565  
1 1 1 -6  3  34 o 142.6101 1.524123  203.0761       4.339115  210.5758       6.372291  196.5924       5.924968  4.895126       3.048247  
1 1 1 -6  3  35 o 30.38063 0.6332865 9.202216       0.3841223 8.521850       0.5277500 9.968711       0.5601595 -2.380974      1.266573  
1 1 1 -6  3  36 o 76.16449 0.8912170 57.45038       1.348107  62.83325       2.059775  53.41671       1.783048  6.178078       1.782434  
1 1 1 -6  3  37 o 181.1139 1.914179  328.5196       6.932590  331.8804       9.910510  325.2992       9.701167  1.810287       3.828359  
1 1 1 -6  3  38 o 82.98099 0.9551805 68.46440       1.578032  73.27203       2.372819  64.65179       2.113051  5.189079       1.910361  
1 1 1 -6  3  39 f 110.6629 1.502772  120.1532       3.051729  116.5567       3.625294  128.8990       5.653358  -5.505196      3.005544  
1 1 1 -6  3  40 o 160.5282 2.421421  258.6654       7.767496  265.1969       11.26797  252.7514       10.72215  3.837982       4.842842  
1 1 1 -6  3  41 o 98.32466 1.556441  96.52123       3.051991  101.7373       4.528402  92.18005       4.131222  4.839302       3.112881  
1 1 1 -6  3  42 o 109.5904 1.708477  120.3256       3.740487  117.3231       5.146532  123.6875       5.445842  -2.883904      3.416955  
1 1 1 -6  3  43 o 60.93810 0.9441255 37.72462       1.109886  34.99431       1.791823  39.42432       1.413756  -3.650677      1.888251  
1 1 1 -6  3  44 o 65.42432 0.8191971 42.81995       1.071496  42.04709       1.490401  43.64677       1.541540  -1.220490      1.638394  
1 1 1 -6  3  45 o 129.6060 1.410665  167.3524       3.636595  178.9454       5.499382  158.3436       4.847857  7.898369       2.821330  
1 1 1 -6  3  46 f 102.8285 1.151407  105.9517       2.367610  107.0150       3.382855  104.9307       3.314797  1.008858       2.302814  
1 1 1 -6  3  47 o 96.80571 1.095894  93.44145       2.113385  99.31343       3.163541  88.70878       2.840107  5.452507       2.191787  
1 1 1 -6  3  48 f 45.43906 0.7108743 20.66714       0.6460029 20.91032       0.9179423 20.42851       0.9092915 0.5297203      1.421749  
1 1 1 -6  3  49 o 84.04016 0.9869995 70.46880       1.653593  74.68481       2.461707  67.00236       2.232173  4.551620       1.973999  
1 1 1 -6  3  50 o 67.55389 0.8528726 45.31354       1.145464  42.13873       1.522147  49.45910       1.739358  -5.400360      1.705745  
1 1 1 -6  3  51 o 75.25918 0.9196290 56.77993       1.384185  56.43854       1.950348  57.12640       1.964798  -0.4555969     1.839258  
1 1 1 -6  3  52 o 55.89720 0.7851267 31.29277       0.8774726 30.70623       1.223017  31.91498       1.259662  -1.077911      1.570253  
1 1 1 -6  3  53 o 43.21668 0.7424047 18.71328       0.6416712 18.80402       0.9111514 18.62400       0.9038134 0.2075882      1.484809  
1 1 1 -6  3  54 o 44.28083 0.7627251 19.57148       0.6737122 20.74169       0.9979037 18.59137       0.9132590 2.419270       1.525450  
1 1 1 -6  3  55 o 62.45966 0.8496472 39.09860       1.060573  39.84416       1.535376  38.41823       1.466731  1.133007       1.699294  
1 1 1 -6  3  56 o 79.72910 1.402692  63.70060       2.224327  67.92409       3.363821  60.41898       2.965115  4.619911       2.805384  
1 1 1 -6  3  57 o 27.40899 1.319101  7.204180       0.7032372 10.10760       1.137866  5.409789       0.8945298 8.513891       2.638202  
1 1 1 -6  3  58 o 44.87829 1.023217  19.74643       0.8997286 22.70369       1.459268  17.93277       1.142793  5.257439       2.046434  
1 1 1 -6  3  59 o 12.18096 2.733364  1.188786       0.6617638 0.8373981      0.7519095 2.396321       1.393869  -5.486246      5.466728  
1 1 1 -6  3  60 o 32.13028 2.406012  10.50508       1.546117  10.50508       1.546117  ?              ?         ?              ?         
1 1 1 -6  3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  4  1  o 60.59585 0.7073380 36.59248       0.8552089 34.95551       1.161782  38.52867       1.263507  -2.948105      1.414676  
1 1 1 -6  4  2  o 478.2521 4.993412  2282.430       47.58176  2180.639       64.04064  2407.871       71.09193  -23.63446      9.986823  
1 1 1 -6  4  3  o 319.6431 3.324617  1021.598       21.23317  1049.334       30.85680  996.6537       29.26301  8.222168       6.649233  
1 1 1 -6  4  4  o 459.4128 4.776525  2115.229       43.88590  2120.082       62.39512  2110.479       61.73818  1.034363       9.553049  
1 1 1 -6  4  5  o 320.6954 3.338180  1028.902       21.40123  1050.210       30.83045  1009.086       29.73129  6.399414       6.676359  
1 1 1 -6  4  6  o 105.4354 1.138898  111.0991       2.400276  113.4841       3.464797  108.8984       3.328320  2.174126       2.277795  
1 1 1 -6  4  7  o 199.4043 2.085187  397.3488       8.308445  388.4240       11.46288  407.2271       12.05965  -4.711029      4.170373  
1 1 1 -6  4  8  o 202.5161 2.120953  409.2714       8.572437  395.8058       11.67889  425.0010       12.62255  -7.202545      4.241906  
1 1 1 -6  4  9  o 206.4966 2.172088  426.1783       8.962778  435.0156       12.99861  418.1687       12.37494  4.075851       4.344175  
1 1 1 -6  4  10 o 128.8555 1.371867  165.5578       3.526980  172.9673       5.209579  159.2877       4.792311  5.306839       2.743734  
1 1 1 -6  4  11 o 465.5448 4.862696  2165.836       45.20001  2099.552       61.81219  2242.012       66.26477  -15.25729      9.725391  
1 1 1 -6  4  12 o 378.2374 3.924823  1422.673       29.52511  1514.867       44.65374  1351.058       39.35588  21.61575       7.849645  
1 1 1 -6  4  13 o 500.1783 5.194435  2497.825       51.83412  2606.437       76.60587  2406.108       70.39622  19.96686       10.38887  
1 1 1 -6  4  14 o 227.3246 3.359435  517.0591       15.27271  518.3377       21.73068  515.8112       21.46945  0.5540771      6.718869  
1 1 1 -6  4  15 o 395.6642 4.991826  1581.189       37.85526  1519.275       62.67561  1616.746       47.49754  -12.46240      9.983651  
1 1 1 -6  4  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  4  17 o 283.3157 4.173648  803.3514       23.64647  795.6265       33.13724  811.3665       33.75359  -2.772583      8.347297  
1 1 1 -6  4  18 o 461.6941 6.802672  2137.543       62.81353  2117.862       88.51734  2157.506       89.14950  -4.284058      13.60534  
1 1 1 -6  4  19 f 415.8578 5.426131  1637.149       39.29307  1546.974       44.94823  1929.394       80.91770  -45.51886      10.85226  
1 1 1 -6  4  20 o 431.6774 4.483983  1866.264       38.71233  1869.877       54.88726  1862.687       54.60879  0.8294983      8.967966  
1 1 1 -6  4  21 o 287.7038 3.000153  826.2408       17.22624  797.9142       23.46031  859.3806       25.37541  -10.66513      6.000306  
1 1 1 -6  4  22 o 285.8662 2.975685  817.8680       17.01253  815.0518       23.95903  820.7319       24.16095  -0.9914551     5.951371  
1 1 1 -6  4  23 f 157.1109 1.664249  245.4501       5.202872  260.8773       7.844929  233.3359       6.951721  8.759094       3.328497  
1 1 1 -6  4  24 o 358.5845 3.725246  1287.722       26.70891  1271.572       37.25185  1304.807       38.31479  -4.615997      7.450491  
1 1 1 -6  4  25 o 108.5863 1.179616  117.9238       2.561652  117.0430       3.599116  118.8281       3.646802  -0.8217010     2.359232  
1 1 1 -6  4  26 f 134.7061 1.438319  180.7411       3.861311  172.8414       5.204711  190.4118       5.758644  -6.517059      2.876637  
1 1 1 -6  4  27 f 276.8217 2.885483  767.5546       15.97525  766.6252       22.56271  768.4890       22.62224  -0.3354187     5.770967  
1 1 1 -6  4  28 o 103.6608 1.134729  106.2766       2.331749  116.3410       3.597178  98.98301       3.062222  8.367668       2.269458  
1 1 1 -6  4  29 o 355.3741 3.699047  1266.610       26.28797  1276.547       37.51119  1257.019       36.85121  2.728241       7.398093  
1 1 1 -6  4  30 o 234.9634 2.458477  550.6774       11.51423  578.0264       17.14404  528.2042       15.54089  10.57056       4.916955  
1 1 1 -6  4  31 o 205.5552 2.157817  422.8402       8.867548  429.2413       12.75446  416.8511       12.33716  3.005829       4.315634  
1 1 1 -6  4  32 o 296.4468 3.091687  880.1195       18.31375  860.4393       25.26347  901.9142       26.58624  -6.956665      6.183375  
1 1 1 -6  4  33 o 123.5943 1.334927  152.6177       3.295897  157.1222       4.803119  148.6092       4.530980  3.440117       2.669853  
1 1 1 -6  4  34 o 70.44257 0.8396941 49.17162       1.175439  53.63252       1.789757  45.78804       1.558729  5.565796       1.679388  
1 1 1 -6  4  35 o 138.8724 1.487326  192.9539       4.130057  190.4843       5.767883  195.5525       5.916517  -1.821960      2.974652  
1 1 1 -6  4  36 o 21.65739 0.7170475 4.686369       0.3103768 4.457324       0.4316258 4.931622       0.4466371 -1.094837      1.434095  
1 1 1 -6  4  37 o 68.24995 0.8293175 46.27877       1.126930  43.41991       1.508940  49.88445       1.694607  -4.733292      1.658635  
1 1 1 -6  4  38 o 78.57505 0.9149853 61.77046       1.437880  62.00627       2.040117  61.53769       2.026886  0.2979126      1.829971  
1 1 1 -6  4  39 o 59.25634 0.7611938 35.03217       0.9004270 33.64811       1.228527  36.63867       1.323570  -2.521614      1.522388  
1 1 1 -6  4  40 o 110.0246 1.209750  121.0400       2.659085  117.8552       3.658143  124.6080       3.871989  -3.060822      2.419500  
1 1 1 -6  4  41 o 55.25215 0.7323524 30.41830       0.8073788 32.39397       1.192860  28.74803       1.096792  3.296963       1.464705  
1 1 1 -6  4  42 o 48.27219 0.8541257 22.98409       0.7675738 22.42139       0.9236230 24.24031       1.380025  -1.868153      1.708251  
1 1 1 -6  4  43 o 45.78373 0.9626570 20.93936       0.8804851 22.19236       1.280153  19.81447       1.212951  2.593929       1.925314  
1 1 1 -6  4  44 o 42.34192 0.9619493 17.80593       0.8112646 19.98488       1.210290  16.02812       1.093223  4.666729       1.923899  
1 1 1 -6  4  45 o 139.3101 2.134392  195.4007       5.945916  193.5458       8.321243  197.3358       8.499168  -1.339584      4.268784  
1 1 1 -6  4  46 o 55.89614 0.9322159 29.91474       0.9506899 34.64767       1.808201  28.10660       1.117631  5.811974       1.864432  
1 1 1 -6  4  47 o 58.52227 0.7777626 34.27369       0.9100949 35.00933       1.305229  33.57762       1.269646  1.221279       1.555525  
1 1 1 -6  4  48 o 18.96450 0.8568369 3.602340       0.3249784 3.571194       0.4598948 3.633402       0.4592835 -0.1640511     1.713674  
1 1 1 -6  4  49 o 10.17110 1.479520  1.078714       0.2909863 1.046907       0.4146821 1.109568       0.4084229 -0.3171406     2.959040  
1 1 1 -6  4  50 o 10.79599 1.531453  1.252031       0.3197360 0.8510690      0.4775370 1.577845       0.4304673 -3.478579      3.062907  
1 1 1 -6  4  51 o 86.72797 1.022661  75.39853       1.773090  73.62585       2.463305  77.30447       2.554220  -2.110909      2.045322  
1 1 1 -6  4  52 o 28.90511 0.7734787 8.372703       0.4464743 8.352448       0.6490844 8.390894       0.6151051 -0.6958961E-01 1.546957  
1 1 1 -6  4  53 o 52.35005 0.9981125 27.81055       0.9665269 26.69346       1.717107  28.32863       1.169368  -1.631119      1.996225  
1 1 1 -6  4  54 f 18.24221 1.589475  3.271483       0.5706505 3.872400       0.9119832 2.884811       0.7315621 2.667597       3.178950  
1 1 1 -6  4  55 f 21.87263 1.407356  4.588085       0.6004434 6.167644       0.9816805 3.643928       0.7589695 5.723335       2.814713  
1 1 1 -6  4  56 o 32.18966 0.8070423 10.34959       0.5184913 11.13227       0.7628655 9.677633       0.7068492 2.252268       1.614085  
1 1 1 -6  4  57 o 63.12656 0.8738653 39.88229       1.100914  41.75455       1.622739  38.28569       1.498524  2.728428       1.747731  
1 1 1 -6  4  58 o 35.85946 1.013724  13.01292       0.7208866 12.12181       1.068777  13.75672       0.9764438 -2.296459      2.027448  
1 1 1 -6  4  59 o 11.33986 2.515498  1.415543       0.6353394 1.724240       0.7239149 0.3805680      1.325519  2.792606       5.030995  
1 1 1 -6  4  60 o 26.18817 2.365498  6.978135       1.238961  6.978135       1.238961  ?              ?         ?              ?         
1 1 1 -6  4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  5  1  o 113.4208 1.215730  128.1621       2.749016  134.6221       4.087993  122.8293       3.714222  5.197418       2.431459  
1 1 1 -6  5  2  o 104.7643 1.132693  106.5943       2.319038  124.5040       3.799164  95.95827       2.927753  13.62095       2.265386  
1 1 1 -6  5  3  o 548.9952 6.097007  3029.515       66.75596  2921.711       97.06809  3126.259       91.95375  -18.71948      12.19401  
1 1 1 -6  5  4  o 186.9209 1.967996  349.1704       7.349441  356.3770       10.68349  342.6961       10.12624  3.656403       3.935992  
1 1 1 -6  5  5  o 480.6110 5.484997  2243.338       50.19672  2547.069       87.55682  2094.633       61.26464  46.67422       10.96999  
1 1 1 -6  5  6  o 449.8291 5.128163  2008.590       45.13716  1940.723       57.66713  2115.930       72.52404  -19.27771      10.25633  
1 1 1 -6  5  7  o 293.9638 3.058034  862.0352       17.93167  830.3246       24.32609  899.7698       26.53623  -11.79556      6.116067  
1 1 1 -6  5  8  o 249.4642 2.606010  619.4448       12.94676  655.2925       19.41183  590.7225       17.37585  12.92996       5.212021  
1 1 1 -6  5  9  o 352.6878 3.665951  1244.498       25.85371  1227.900       36.13184  1261.912       37.00928  -4.815247      7.331902  
1 1 1 -6  5  10 o 249.3223 2.597785  621.2878       12.94371  608.6130       17.89006  635.2111       18.75060  -5.329849      5.195571  
1 1 1 -6  5  11 f 255.8029 3.243449  659.2364       15.86973  638.9937       26.45962  670.6094       19.83293  -6.218475      6.486899  
1 1 1 -6  5  12 f 439.7467 6.468866  1932.514       56.73906  2008.624       83.97543  1868.582       76.96447  15.83990       12.93773  
1 1 1 -6  5  13 o 333.0833 4.894229  1105.207       32.46030  1168.722       48.71161  1054.476       43.53495  17.10196       9.788459  
1 1 1 -6  5  14 o 344.3111 5.059866  1186.638       34.83022  1205.560       50.08829  1168.920       48.46648  5.304810       10.11973  
1 1 1 -6  5  15 f 503.1788 6.500087  2462.563       59.08476  2368.460       69.29163  2713.277       113.1012  -33.70975      13.00017  
1 1 1 -6  5  16 o 296.0029 4.355469  876.3568       25.76494  895.7982       37.31818  858.6486       35.61567  6.260284       8.710938  
1 1 1 -6  5  17 o 302.6628 3.148035  916.1050       19.04693  901.5043       26.45732  931.8132       27.44255  -5.000427      6.296070  
1 1 1 -6  5  18 f 503.3748 5.689816  2511.137       55.83865  2662.721       90.77559  2418.866       70.82286  23.95639       11.37963  
1 1 1 -6  5  19 o 318.1985 3.306807  1012.968       21.03811  1026.862       30.19770  999.8643       29.32619  4.234802       6.613615  
1 1 1 -6  5  20 f 332.9088 3.478520  1100.584       22.98347  1043.027       30.36626  1177.776       35.16663  -20.18991      6.957040  
1 1 1 -6  5  21 o 265.3959 2.764771  704.4061       14.66749  717.7077       21.15731  692.0978       20.35203  4.817627       5.529541  
1 1 1 -6  5  22 o 432.4770 4.490268  1872.888       38.81171  1837.497       53.70739  1911.570       56.15016  -8.522797      8.980536  
1 1 1 -6  5  23 o 176.7408 1.860842  312.1056       6.570655  320.7149       9.561862  304.4031       9.044340  4.610428       3.721684  
1 1 1 -6  5  24 o 299.3588 3.120271  896.5490       18.66540  916.2571       27.07381  878.6956       25.76827  6.253540       6.240542  
1 1 1 -6  5  25 o 196.6889 2.063818  386.1694       8.101315  373.3970       11.03498  401.1011       11.93144  -7.032303      4.127636  
1 1 1 -6  5  26 o 50.32803 0.6598904 25.33129       0.6642025 25.30586       0.9424582 25.35638       0.9362212 -0.5021667E-01 1.319781  
1 1 1 -6  5  27 o 295.5604 3.079223  874.6104       18.18886  893.2632       26.32489  857.5709       25.16046  6.011047       6.158446  
1 1 1 -6  5  28 o 153.2406 1.625811  234.7182       4.978386  240.6274       7.225324  229.3773       6.869174  3.666046       3.251621  
1 1 1 -6  5  29 o 291.1989 3.035542  849.3468       17.67296  862.0803       25.39169  837.3822       24.61317  4.222382       6.071084  
1 1 1 -6  5  30 f 227.1208 2.377491  516.4971       10.79883  519.6495       15.37788  513.4302       15.16800  1.364944       4.754982  
1 1 1 -6  5  31 o 125.6470 1.357305  157.5652       3.403825  163.6314       5.009539  152.3626       4.639232  4.479721       2.714610  
1 1 1 -6  5  32 o 197.8693 2.079564  391.9650       8.229103  389.4576       11.55895  394.5419       11.71810  -1.281494      4.159128  
1 1 1 -6  5  33 o 223.0600 2.339111  497.9559       10.42752  487.7190       14.41831  509.1818       15.09868  -4.793732      4.678221  
1 1 1 -6  5  34 o 155.3584 1.651681  241.4344       5.129491  237.1770       7.120350  246.0277       7.395884  -2.843124      3.303361  
1 1 1 -6  5  35 o 140.5095 1.503883  197.2219       4.219520  191.2169       5.775530  204.0964       6.179542  -4.574707      3.007767  
1 1 1 -6  5  36 o 121.2569 1.315876  146.5543       3.180727  140.2785       4.294439  154.1809       4.734083  -5.723335      2.631752  
1 1 1 -6  5  37 o 104.2965 1.152637  108.8318       2.403975  107.6300       3.365227  110.0843       3.435324  -1.175102      2.305275  
1 1 1 -6  5  38 o 63.74785 0.7930357 40.19458       1.003790  44.46211       1.536473  37.01686       1.325849  5.835827       1.586071  
1 1 1 -6  5  39 o 135.9436 1.464084  184.9093       3.977172  189.6091       5.771447  180.6593       5.488366  3.280594       2.928168  
1 1 1 -6  5  40 o 106.2848 1.174678  113.0038       2.495241  110.5066       3.451287  115.7386       3.611790  -2.455185      2.349356  
1 1 1 -6  5  41 o 11.90232 1.122969  1.468771       0.2500807 1.009265       0.3512514 1.941141       0.3561341 -4.048938      2.245937  
1 1 1 -6  5  42 o 68.11928 0.8333082 46.42734       1.135066  47.17438       1.624994  45.71557       1.586161  1.069359       1.666616  
1 1 1 -6  5  43 o 35.34008 0.6568294 12.47327       0.4634750 13.53596       0.6700227 11.49825       0.6417935 2.882126       1.313659  
1 1 1 -6  5  44 o 59.35600 0.7788487 35.25208       0.9243591 34.80569       1.290132  35.72295       1.325050  -0.7712669     1.557697  
1 1 1 -6  5  45 o 10.47187 1.352464  1.145349       0.2719049 1.478105       0.3831553 0.8077691      0.3859228 3.347957       2.704928  
1 1 1 -6  5  46 o 96.29469 1.342994  92.83528       2.435033  92.44598       2.975483  93.62472       4.237065  -0.5034561     2.685989  
1 1 1 -6  5  47 o 51.83971 1.038877  26.88893       1.076260  28.18542       1.557865  25.70513       1.488618  2.387222       2.077754  
1 1 1 -6  5  48 o 46.61185 0.9980243 21.62961       0.9270017 20.06562       1.247825  23.55582       1.384806  -3.732933      1.996049  
1 1 1 -6  5  49 o 63.30016 1.055563  40.22033       1.313814  39.96540       2.051785  40.39751       1.710469  -0.3731651     2.111126  
1 1 1 -6  5  50 f 71.03775 0.8959277 50.54053       1.271747  51.49412       1.844702  49.67679       1.755645  1.270927       1.791855  
1 1 1 -6  5  51 o 29.04289 1.010624  8.082515       0.5246608 9.310150       1.031631  7.654210       0.6093494 2.804956       2.021248  
1 1 1 -6  5  52 o 15.72667 1.768831  2.553783       0.5375682 2.390449       0.8039464 2.685867       0.7229589 -1.187725      3.537662  
1 1 1 -6  5  53 o 43.29510 0.9317817 19.11734       0.7736501 19.99310       0.9780799 17.65361       1.264484  2.736610       1.863563  
1 1 1 -6  5  54 o 47.95473 0.7695752 22.52137       0.7285913 26.50895       1.148163  19.83316       0.9427154 6.938530       1.539150  
1 1 1 -6  5  55 o 38.89041 0.7679920 15.16453       0.5966187 15.10219       0.8644739 15.22123       0.8244413 -0.1575546     1.535984  
1 1 1 -6  5  56 o 53.16288 0.8083996 28.24707       0.8579774 26.35784       1.173864  30.41385       1.257139  -3.803535      1.616799  
1 1 1 -6  5  57 o 27.10813 0.9170455 7.188667       0.4895007 8.496933       0.7805922 6.340779       0.6284128 3.952299       1.834091  
1 1 1 -6  5  58 o 51.34479 1.130398  26.51557       1.159892  25.97578       1.602932  27.10885       1.680484  -1.087166      2.260797  
1 1 1 -6  5  59 o 27.75871 1.634418  6.942109       0.7810678 6.205417       0.8814168 9.636075       1.685523  -5.916836      3.268836  
1 1 1 -6  5  60 f 11.40218 3.155349  1.382807       0.7434443 1.382807       0.7434443 ?              ?         ?              ?         
1 1 1 -6  5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  5  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  6  1  o 405.5293 5.956944  1645.967       48.25945  1606.342       66.38940  1690.365       70.27454  -10.30988      11.91389  
1 1 1 -6  6  2  o 361.4905 4.649987  1286.914       30.95760  1363.615       56.82449  1254.541       36.91713  14.88776       9.299973  
1 1 1 -6  6  3  o 308.5571 3.464268  954.8664       21.33020  894.3205       30.46522  1013.087       29.87437  -19.24985      6.928535  
1 1 1 -6  6  4  o 360.1617 3.749185  1297.925       26.99742  1285.445       37.62819  1311.164       38.75706  -3.561401      7.498370  
1 1 1 -6  6  5  o 474.8367 4.984044  2224.756       46.68972  2070.004       60.41628  2454.214       73.56772  -40.31998      9.968088  
1 1 1 -6  6  6  o 453.7420 4.722778  2047.936       42.63084  1938.928       56.87650  2187.691       64.40031  -27.34091      9.445556  
1 1 1 -6  6  7  o 129.9417 1.503700  167.9709       3.835865  173.4746       6.077120  164.3259       4.945534  3.517044       3.007401  
1 1 1 -6  6  8  o 379.5864 4.795733  1459.524       35.07966  1377.127       57.06548  1509.574       44.47556  -17.55698      9.591467  
1 1 1 -6  6  9  o 130.3911 1.962431  168.7910       5.085439  159.5588       6.753677  180.8799       7.728230  -8.172333      3.924863  
1 1 1 -6  6  10 o 402.4755 5.923004  1620.841       47.61873  1585.593       65.46263  1660.452       69.39542  -9.257202      11.84601  
1 1 1 -6  6  11 o 365.9945 5.386623  1341.505       39.42839  1332.627       55.50883  1350.546       56.01497  -2.442902      10.77325  
1 1 1 -6  6  12 o 307.6945 3.884222  957.0809       23.02331  984.7648       29.13111  911.0143       37.57828  12.04657       7.768445  
1 1 1 -6  6  13 o 425.5042 4.431279  1812.045       37.69635  1828.548       54.16049  1796.537       52.49968  3.747040       8.862558  
1 1 1 -6  6  14 o 388.5411 4.034248  1508.675       31.30482  1469.786       42.93250  1552.825       45.74460  -10.66354      8.068497  
1 1 1 -6  6  15 o 296.1404 3.083164  876.9985       18.25266  862.7488       25.35880  892.3175       26.29286  -4.986450      6.166327  
1 1 1 -6  6  16 f 138.1200 1.470771  190.3343       4.054047  197.4874       5.972157  184.2212       5.520965  4.800995       2.941543  
1 1 1 -6  6  17 o 75.88716 1.005850  57.54808       1.525086  58.53323       2.214547  56.65939       2.103342  1.234360       2.011701  
1 1 1 -6  6  18 o 265.5486 2.767546  705.2343       14.69283  716.7618       21.12981  694.4422       20.44471  4.197632       5.535092  
1 1 1 -6  6  19 o 142.9959 1.525053  203.9743       4.351629  212.2056       6.417971  196.9699       5.920368  5.325134       3.050106  
1 1 1 -6  6  20 f 511.3181 5.317163  2619.134       54.34153  2567.123       75.27306  2675.745       78.53151  -10.56631      10.63433  
1 1 1 -6  6  21 o 365.5706 3.797496  1336.149       27.72417  1299.332       37.99669  1378.065       40.54284  -10.73322      7.594992  
1 1 1 -6  6  22 o 132.0185 1.412755  174.2766       3.729158  176.4784       5.349371  172.1950       5.201394  1.621384       2.825509  
1 1 1 -6  6  23 o 305.2005 3.176697  932.3524       19.38350  918.9052       26.97949  946.6987       27.86686  -4.539795      6.353395  
1 1 1 -6  6  24 o 102.4659 1.119990  104.3126       2.283232  98.59687       3.047072  111.6310       3.447907  -6.357788      2.239981  
1 1 1 -6  6  25 o 117.9687 1.273944  138.9178       3.000889  144.0678       4.396759  134.4265       4.105947  4.084122       2.547888  
1 1 1 -6  6  26 o 221.8931 2.322379  492.7255       10.30310  486.2487       14.35572  499.6054       14.79580  -3.002380      4.644759  
1 1 1 -6  6  27 o 242.5502 2.534558  588.9868       12.29203  596.6561       17.62302  581.7206       17.15361  3.069260       5.069116  
1 1 1 -6  6  28 f 234.8127 2.456864  549.9503       11.49965  577.4526       17.11907  527.3353       15.52366  10.64101       4.913729  
1 1 1 -6  6  29 o 245.6958 2.566647  604.3666       12.60863  612.6337       18.09391  596.5627       17.57980  3.259827       5.133295  
1 1 1 -6  6  30 o 174.1872 1.839056  303.6651       6.406730  304.6877       9.085913  302.6537       9.035270  0.5830231      3.678111  
1 1 1 -6  6  31 o 244.6617 2.557192  599.2747       12.50640  589.0118       17.35450  610.3629       18.03878  -4.346848      5.114384  
1 1 1 -6  6  32 o 60.18016 0.7521978 36.17234       0.9045803 35.04162       1.248205  37.42308       1.312776  -1.978107      1.504396  
1 1 1 -6  6  33 o 83.92500 0.9626673 70.36816       1.614658  72.70381       2.338819  68.24123       2.231874  2.657509       1.925335  
1 1 1 -6  6  34 o 105.0459 1.156437  110.3166       2.428146  108.1359       3.364949  112.6858       3.507307  -2.163597      2.312874  
1 1 1 -6  6  35 o 123.0188 1.332192  150.7030       3.264581  159.4957       4.886578  143.6152       4.387303  6.444420       2.664383  
1 1 1 -6  6  36 o 72.20485 0.8604257 52.13846       1.242293  52.89128       1.778541  51.42124       1.735968  1.017357       1.720851  
1 1 1 -6  6  37 o 154.3291 1.644340  238.2295       5.069670  232.1471       6.973833  245.0463       7.382829  -4.165161      3.288680  
1 1 1 -6  6  38 o 160.7942 1.710374  259.0595       5.500321  259.6359       7.797445  258.4886       7.759949  0.3552094      3.420749  
1 1 1 -6  6  39 o 69.74710 0.8501292 48.42726       1.182264  45.59601       1.597442  51.85632       1.758017  -4.483841      1.700258  
1 1 1 -6  6  40 o 74.55905 0.8885033 55.04078       1.314750  60.30123       2.016569  51.15150       1.733946  6.127449       1.777007  
1 1 1 -6  6  41 o 54.10894 0.7324247 29.26835       0.7922543 28.30068       1.101264  30.30639       1.140605  -1.852283      1.464849  
1 1 1 -6  6  42 o 57.83236 0.7596049 33.32896       0.8761376 35.31816       1.299731  31.67226       1.186137  3.148254       1.519210  
1 1 1 -6  6  43 o 48.55169 0.7086564 23.57958       0.6879206 23.95202       0.9876826 23.22869       0.9586980 0.7439079      1.417313  
1 1 1 -6  6  44 o 140.6131 1.761330  198.0265       4.940538  190.4930       6.704130  206.9804       7.308937  -5.805557      3.522660  
1 1 1 -6  6  45 o 64.67825 0.8227258 41.87965       1.064225  41.53502       1.504450  42.22481       1.505634  -0.5331879     1.645452  
1 1 1 -6  6  46 o 24.55610 0.7692065 5.900268       0.3728720 7.411382       0.5749513 4.803367       0.4898536 5.305809       1.538413  
1 1 1 -6  6  47 o 17.01674 0.9519154 2.916194       0.3222683 2.655006       0.4648642 3.157869       0.4471633 -1.478758      1.903831  
1 1 1 -6  6  48 o 71.58017 0.9641609 51.43349       1.364447  50.78030       2.087201  51.92095       1.803069  -0.8194504     1.928322  
1 1 1 -6  6  49 o 59.41921 1.456557  36.01994       1.640203  37.20551       2.037890  33.83943       2.763731  2.929287       2.913115  
1 1 1 -6  6  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  6  51 o 17.37889 1.358476  2.980371       0.4606450 2.167402       0.6106078 4.054191       0.7017640 -5.414675      2.716951  
1 1 1 -6  6  52 o 38.56157 1.012374  14.88023       0.7795709 14.12625       1.067189  15.74291       1.141520  -2.086838      2.024747  
1 1 1 -6  6  53 o 31.30998 0.9033045 9.332215       0.5311380 11.28901       0.9642431 8.479869       0.6363870 4.445995       1.806609  
1 1 1 -6  6  54 o 12.80499 1.377626  1.635922       0.3508158 1.809467       0.5318000 1.502213       0.4667898 1.186946       2.755251  
1 1 1 -6  6  55 o 39.88571 0.7668955 15.86577       0.6098404 16.98474       0.9075530 14.94456       0.8234562 2.547878       1.533791  
1 1 1 -6  6  56 o 34.06388 0.7975863 11.56299       0.5412307 12.50038       0.8107179 10.80931       0.7269473 2.470703       1.595173  
1 1 1 -6  6  57 f 61.31579 0.9928172 37.71978       1.216385  36.35503       1.676811  39.23563       1.767203  -2.333126      1.985634  
1 1 1 -6  6  58 o 14.10714 1.776371  2.062500       0.4873349 1.992823       0.7219005 2.120839       0.6605677 -0.7087717     3.552743  
1 1 1 -6  6  59 o 13.25147 1.939956  1.843460       0.4958084 2.034439       0.7400476 1.687924       0.6678545 1.260618       3.879913  
1 1 1 -6  6  60 o 19.47771 2.140515  3.848193       0.8338466 3.848193       0.8338466 ?              ?         ?              ?         
1 1 1 -6  6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  6  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  7  1  o 156.1413 1.647782  242.9783       5.130430  254.4678       7.615290  233.4296       6.942359  6.734863       3.295563  
1 1 1 -6  7  2  o 344.0225 4.402427  1174.532       28.16566  1157.487       33.93867  1212.248       50.48384  -7.827423      8.804853  
1 1 1 -6  7  3  o 157.6082 2.358575  247.6165       7.414153  237.6167       10.04647  259.5760       10.98692  -6.962357      4.717151  
1 1 1 -6  7  4  o 676.8268 14.06619  0.000000       0.000000  ?              ?         4604.399       190.4075  ?              ?         
1 1 1 -6  7  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  7  6  o 416.8253 8.654931  0.000000       0.000000  ?              ?         1740.788       72.15187  ?              ?         
1 1 1 -6  7  7  o 550.8229 8.091270  2979.657       87.46347  2733.430       111.5745  3372.154       140.8692  -57.54437      16.18254  
1 1 1 -6  7  8  o 404.8464 5.955646  1641.563       48.21344  1666.885       69.00477  1617.411       67.39204  6.092468       11.91129  
1 1 1 -6  7  9  o 485.6492 6.183014  2354.531       56.59669  2337.138       69.16866  2389.766       98.45057  -5.080658      12.36603  
1 1 1 -6  7  10 o 540.0851 5.625079  2919.604       60.70537  2869.971       83.79942  2974.411       88.05965  -9.622620      11.25016  
1 1 1 -6  7  11 f 389.6215 4.058971  1516.059       31.56556  1469.599       43.04628  1570.102       46.42594  -12.87064      8.117942  
1 1 1 -6  7  12 o 214.6318 2.249410  460.3033       9.645679  471.0089       14.02701  450.6999       13.28529  4.727814       4.498820  
1 1 1 -6  7  13 o 181.4548 1.907522  327.0042       6.880302  349.5490       10.44211  309.7067       9.146533  10.97360       3.815044  
1 1 1 -6  7  14 o 179.2515 1.883210  321.3638       6.751071  319.9026       9.495030  322.8577       9.600761  -0.8238831     3.766421  
1 1 1 -6  7  15 o 416.4000 6.120640  1736.794       50.94321  1771.529       73.55941  1704.780       70.61964  7.974854       12.24128  
1 1 1 -6  7  16 o 212.5415 2.226315  449.7957       9.424871  430.2390       12.66351  474.0795       14.11128  -10.30554      4.452630  
1 1 1 -6  7  17 o 329.6726 3.426069  1086.114       22.55913  1057.346       30.95783  1118.687       32.94133  -9.285187      6.852139  
1 1 1 -6  7  18 o 165.3041 1.750025  272.4998       5.770151  262.8135       7.825669  284.0396       8.541719  -6.416687      3.500050  
1 1 1 -6  7  19 o 202.0655 2.116545  408.3701       8.551796  403.8120       11.94753  413.1591       12.24613  -2.310822      4.233090  
1 1 1 -6  7  20 o 290.6593 3.031123  842.4819       17.56124  809.6625       23.70698  882.3891       26.14187  -12.48352      6.062245  
1 1 1 -6  7  21 o 288.9914 3.007622  835.7569       17.37815  824.7115       24.21894  847.4793       24.95021  -3.929962      6.015243  
1 1 1 -6  7  22 o 151.0475 1.605207  228.2308       4.849229  228.9868       6.868749  227.4795       6.846994  0.4987793      3.210414  
1 1 1 -6  7  23 o 373.5084 3.883557  1398.235       29.01055  1402.227       41.13494  1394.285       40.92014  1.058746       7.767114  
1 1 1 -6  7  24 o 55.55864 0.7076803 30.68575       0.7831491 32.86545       1.173893  28.93754       1.051300  3.534401       1.415361  
1 1 1 -6  7  25 f 196.7272 2.066300  387.1272       8.126060  380.8092       11.28522  393.9302       11.71055  -3.328659      4.132601  
1 1 1 -6  7  26 o 84.20401 0.9495001 70.65055       1.594429  74.30144       2.365822  67.61239       2.158184  3.970367       1.899000  
1 1 1 -6  7  27 o 102.0341 1.120674  104.0061       2.284658  106.9790       3.321691  101.3371       3.147343  2.763145       2.241349  
1 1 1 -6  7  28 o 137.0219 1.464729  187.6923       4.011295  191.6514       5.801563  184.0660       5.552300  2.765076       2.929459  
1 1 1 -6  7  29 o 131.1918 1.408270  171.5453       3.683428  180.0602       5.475971  164.5091       4.977887  5.920792       2.816540  
1 1 1 -6  7  30 o 132.8569 1.427063  176.5609       3.791177  178.6653       5.425767  174.5533       5.299531  1.545868       2.854125  
1 1 1 -6  7  31 o 232.2673 2.431611  539.2696       11.27569  558.3749       16.54554  522.7018       15.40768  7.651428       4.863222  
1 1 1 -6  7  32 o 30.08336 0.6390857 9.066062       0.3838657 8.566051       0.5474223 9.549776       0.5384257 -1.635061      1.278171  
1 1 1 -6  7  33 o 123.1000 1.331409  151.0580       3.267843  158.5816       4.855526  144.8285       4.418223  5.579163       2.662817  
1 1 1 -6  7  34 o 164.8986 1.749214  271.5502       5.756300  282.3243       8.482189  262.3521       7.837279  6.040024       3.498429  
1 1 1 -6  7  35 o 172.6817 1.830095  297.7061       6.303649  310.9280       9.331169  286.6068       8.549451  7.019241       3.660190  
1 1 1 -6  7  36 o 144.7901 1.549694  209.4435       4.479510  202.6446       6.118159  217.2997       6.576628  -5.047516      3.099387  
1 1 1 -6  7  37 o 130.8972 1.413613  171.2489       3.695548  166.0484       5.066646  177.1608       5.402052  -4.234024      2.827226  
1 1 1 -6  7  38 o 156.7265 1.671574  245.9250       5.235725  240.6890       7.239089  251.6683       7.581651  -3.487442      3.343149  
1 1 1 -6  7  39 o 82.94571 0.9588059 68.82876       1.590031  69.89436       2.284844  67.82810       2.214111  1.243370       1.917612  
1 1 1 -6  7  40 o 115.3351 1.264203  132.9993       2.912264  128.9765       3.995961  137.5566       4.253191  -3.708260      2.528406  
1 1 1 -6  7  41 o 57.28439 0.7543411 32.83628       0.8642191 32.54385       1.217912  33.13285       1.226514  -0.5138283     1.508682  
1 1 1 -6  7  42 o 49.90298 0.7141736 24.50498       0.7056471 27.89659       1.096963  22.11082       0.9216475 5.791222       1.428347  
1 1 1 -6  7  43 o 6.549164 1.789375  0.2691470      0.3351194 0.1694264      0.4805725 0.3635389      0.4675562 -0.6544948     3.578750  
1 1 1 -6  7  44 o 98.36313 1.576411  97.11658       3.101054  96.01730       4.359799  98.24222       4.411769  -1.126472      3.152822  
1 1 1 -6  7  45 o 86.24596 1.003094  74.24539       1.726113  70.79195       2.344160  78.33558       2.551138  -4.360344      2.006187  
1 1 1 -6  7  46 f 34.97979 0.9084165 12.25091       0.5718035 12.26736       1.077271  12.24446       0.6746912 0.7717133E-02  1.816833  
1 1 1 -6  7  47 o 78.12192 1.342232  60.91639       2.086863  64.71175       3.143067  57.92414       2.790781  4.307709       2.684463  
1 1 1 -6  7  48 o 18.59161 1.153122  3.422909       0.4125699 3.309417       0.5134162 3.629778       0.6931627 -0.8437996     2.306245  
1 1 1 -6  7  49 o 25.67338 0.7936952 6.622600       0.4063111 6.167572       0.5827619 7.053031       0.5667920 -1.725729      1.587390  
1 1 1 -6  7  50 o 55.81170 0.7832885 31.07339       0.8717572 32.89842       1.294785  29.56009       1.179031  2.981071       1.566577  
1 1 1 -6  7  51 o 28.59270 0.7751067 8.132988       0.4415755 8.911433       0.6600394 7.502281       0.5941145 2.458195       1.550213  
1 1 1 -6  7  52 f 31.24286 0.7663998 9.697903       0.4764979 10.63752       0.7191729 8.962652       0.6361741 2.672167       1.532800  
1 1 1 -6  7  53 f 23.73559 1.036940  5.573650       0.4829047 5.254385       0.6178051 6.075053       0.7742297 -1.706652      2.073879  
1 1 1 -6  7  54 o 12.73262 1.771365  1.633610       0.4396605 2.367336       0.6708156 1.081080       0.5821222 5.155820       3.542731  
1 1 1 -6  7  55 o 85.85481 1.450519  74.39471       2.490597  75.18417       3.537821  73.61901       3.506855  0.9044571      2.901039  
1 1 1 -6  7  56 o 53.03295 0.9669664 28.49530       0.9901207 27.30873       1.609733  29.21740       1.255762  -1.858925      1.933933  
1 1 1 -6  7  57 o 22.46216 1.195318  5.090486       0.5358596 5.441420       0.7552432 4.734722       0.7604234 1.574192       2.390637  
1 1 1 -6  7  58 o 46.62699 1.103613  21.78551       1.026707  23.77880       1.511149  20.07647       1.399264  3.945797       2.207226  
1 1 1 -6  7  59 o 41.54008 1.103987  17.36485       0.9166548 16.82349       1.270137  17.95333       1.324247  -1.347080      2.207973  
1 1 1 -6  7  60 o 38.85940 2.126719  15.31422       1.652860  15.31422       1.652860  ?              ?         ?              ?         
1 1 1 -6  7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  8  1  o 277.9835 3.629359  733.4494       17.69377  856.7902       35.97907  694.1041       20.32086  29.15527       7.258717  
1 1 1 -6  8  2  o 208.2722 3.075599  433.9655       12.81057  431.4581       18.00738  436.5349       18.22841  -1.217499      6.151198  
1 1 1 -6  8  3  o 429.0492 6.309107  1844.660       54.13684  1830.969       76.21979  1858.599       76.90696  -3.211609      12.61821  
1 1 1 -6  8  4  o 386.0433 5.676642  1483.320       43.59141  1581.313       65.87721  1406.993       58.14029  22.49423       11.35328  
1 1 1 -6  8  5  f 329.1992 4.836351  1084.407       31.84246  1084.407       31.84246  ?              ?         ?              ?         
1 1 1 -6  8  6  o 193.5429 2.482266  375.9860       9.110833  378.7574       11.24587  370.6929       15.54156  2.103653       4.964532  
1 1 1 -6  8  7  o 662.6622 9.758563  4302.372       126.4183  3923.352       159.8936  4934.374       206.4709  -75.39984      19.51713  
1 1 1 -6  8  8  f 575.1700 8.459538  3287.880       96.43272  3089.267       126.6506  3561.865       148.7531  -40.71692      16.91908  
1 1 1 -6  8  9  o 534.5999 7.853731  2858.288       83.73294  2749.577       113.4151  2988.538       124.1432  -22.18335      15.70746  
1 1 1 -6  8  10 o 643.2845 8.259695  4141.087       99.47261  4190.876       175.1722  4117.392       120.8471  4.832581       16.51939  
1 1 1 -6  8  11 o 292.5672 3.049889  850.9594       17.74074  809.5315       23.61682  904.6125       26.87645  -16.22931      6.099778  
1 1 1 -6  8  12 o 128.3389 1.386565  162.7273       3.520759  152.0169       4.595442  177.9483       5.478315  -10.10015      2.773130  
1 1 1 -6  8  13 o 539.8041 5.623570  2919.481       60.70600  2908.266       85.15851  2931.068       86.56117  -2.094604      11.24714  
1 1 1 -6  8  14 o 180.9041 2.692786  325.7383       9.700671  344.8346       14.55125  310.4622       13.01464  9.490341       5.385571  
1 1 1 -6  8  15 o 342.5191 3.561567  1174.259       24.39755  1171.745       34.37350  1176.811       34.63468  -0.7370911     7.123133  
1 1 1 -6  8  16 o 261.9147 2.727914  686.1369       14.28504  676.7817       19.90306  696.0763       20.51505  -3.678741      5.455827  
1 1 1 -6  8  17 o 177.6879 1.871698  313.6453       6.612974  296.9182       8.802678  335.3158       10.01931  -10.79790      3.743395  
1 1 1 -6  8  18 f 125.2499 1.344218  156.8950       3.367136  156.0999       4.737197  157.7068       4.786890  -0.6412811     2.688436  
1 1 1 -6  8  19 f 134.5806 1.436061  181.1094       3.864393  183.3292       5.537929  179.0027       5.395028  1.606628       2.872121  
1 1 1 -6  8  20 o 73.18296 0.8497139 52.98446       1.234246  58.15829       1.892520  49.15522       1.628138  6.150101       1.699428  
1 1 1 -6  8  21 f 113.8208 1.231926  128.6947       2.789187  137.7779       4.217004  121.6309       3.718813  7.090195       2.463852  
1 1 1 -6  8  22 o 152.4162 1.616871  232.0711       4.923059  225.9758       6.769700  238.9128       7.172239  -4.240479      3.233742  
1 1 1 -6  8  23 o 200.5285 2.102918  402.0761       8.427797  393.9011       11.65612  411.0315       12.19987  -4.264435      4.205836  
1 1 1 -6  8  24 o 51.06028 0.6680496 26.07370       0.6821878 25.75485       0.9631221 26.39474       0.9664048 -0.6265831     1.336099  
1 1 1 -6  8  25 o 149.2721 1.585590  222.4990       4.725791  230.3404       6.927439  215.6733       6.463239  4.907089       3.171180  
1 1 1 -6  8  26 o 82.99170 0.9398164 68.29107       1.549704  73.96892       2.360753  63.99168       2.054292  6.008675       1.879633  
1 1 1 -6  8  27 o 181.6830 1.915409  329.6521       6.947061  319.5237       9.486158  341.3672       10.20212  -6.000717      3.830819  
1 1 1 -6  8  28 f 246.1685 2.573589  602.9852       12.59915  642.9523       19.06700  572.0089       16.78596  14.35927       5.147178  
1 1 1 -6  8  29 o 216.5922 2.270650  469.6346       9.834088  474.9922       14.07882  464.5300       13.74229  2.408188       4.541301  
1 1 1 -6  8  30 o 212.0298 2.224585  449.9780       9.429820  457.1889       13.56627  443.2372       13.11665  3.280182       4.449170  
1 1 1 -6  8  31 o 205.7829 2.161517  423.9930       8.894710  428.1548       12.71234  420.0013       12.44980  1.975006       4.323034  
1 1 1 -6  8  32 o 163.7152 1.737455  268.2441       5.688040  265.7636       7.959425  270.8331       8.131542  -1.544785      3.474910  
1 1 1 -6  8  33 o 131.6915 1.417369  173.2233       3.727383  167.8857       5.103897  179.3236       5.456367  -4.336090      2.834739  
1 1 1 -6  8  34 o 285.9472 2.989459  820.5453       17.09044  833.0692       24.56541  808.7975       23.79220  4.207977       5.978918  
1 1 1 -6  8  35 o 89.45258 1.015314  79.93962       1.814330  82.40107       2.643951  77.74894       2.494286  2.597702       2.030629  
1 1 1 -6  8  36 o 151.8000 1.622138  230.4272       4.918125  237.6353       7.183047  224.0660       6.747890  4.454285       3.244275  
1 1 1 -6  8  37 o 27.58101 0.6791803 7.555858       0.3701391 6.046293       0.5021219 9.352318       0.5477623 -5.992540      1.358361  
1 1 1 -6  8  38 f 21.90045 0.7213724 4.791982       0.3155532 4.917841       0.4603933 4.680472       0.4333526 0.5413399      1.442745  
1 1 1 -6  8  39 o 104.0315 1.155325  107.8535       2.394857  114.0524       3.577580  102.8204       3.223678  5.384560       2.310650  
1 1 1 -6  8  40 o 45.72594 0.6813568 20.82556       0.6217142 19.34673       0.8469540 22.55351       0.9155164 -3.504688      1.362714  
1 1 1 -6  8  41 o 31.19100 0.6617711 9.605089       0.4100652 11.13314       0.6218199 8.429161       0.5454882 4.332279       1.323542  
1 1 1 -6  8  42 o 77.79536 0.9242266 60.43867       1.435371  63.03824       2.108905  58.19508       1.959195  3.106018       1.848453  
1 1 1 -6  8  43 o 64.03833 1.007092  41.69843       1.227295  38.97237       2.048093  43.22576       1.533024  -3.348236      2.014185  
1 1 1 -6  8  44 o 31.35186 1.019980  9.887188       0.6345481 8.416286       0.8929636 11.38760       0.9018760 -4.738134      2.039960  
1 1 1 -6  8  45 o 65.76399 1.183913  43.16677       1.551051  45.52961       2.319852  41.25666       2.085802  3.229683       2.367827  
1 1 1 -6  8  46 f 79.35486 1.017940  63.29086       1.610021  66.05177       2.218891  60.22102       2.339740  3.682564       2.035880  
1 1 1 -6  8  47 o 31.25053 0.7123743 9.751262       0.4444898 10.22109       0.6521984 9.343769       0.6073971 1.401052       1.424749  
1 1 1 -6  8  48 o 65.65204 0.8438544 43.16685       1.107821  42.16440       1.551141  44.21055       1.582729  -1.555885      1.687709  
1 1 1 -6  8  49 o 34.61321 0.7289200 11.97958       0.5032142 10.78468       0.6972007 13.27896       0.7270416 -3.600811      1.457840  
1 1 1 -6  8  50 o 61.70171 0.8256226 38.13083       1.018547  36.98058       1.422121  39.34233       1.459491  -1.910431      1.651245  
1 1 1 -6  8  51 o 44.76403 0.7443501 20.08813       0.6657161 19.79333       0.9594389 20.36182       0.9244641 -0.6381683     1.488700  
1 1 1 -6  8  52 o 32.22136 0.7583877 10.41580       0.4881655 10.09373       0.7001464 10.72048       0.6809924 -0.9745140     1.516775  
1 1 1 -6  8  53 o 59.35807 0.8274090 35.20451       0.9799781 37.11512       1.447494  33.58771       1.331551  2.957863       1.654818  
1 1 1 -6  8  54 o 21.87636 0.9291871 4.804624       0.4055961 4.777727       0.5933336 4.828219       0.5557121 -0.1205406     1.858374  
1 1 1 -6  8  55 o 34.44715 0.7946739 11.91769       0.5463412 11.02896       0.7724962 12.80710       0.7727901 -2.580925      1.589348  
1 1 1 -6  8  56 o 55.92323 0.8963583 31.49939       0.9972599 32.51645       1.356028  30.30134       1.471745  1.998734       1.792717  
1 1 1 -6  8  57 o 38.57275 1.091528  14.91275       0.8404081 13.91438       1.147572  16.06750       1.234182  -2.773445      2.183056  
1 1 1 -6  8  58 o 29.39742 1.114864  8.707555       0.6546894 8.188884       0.9232700 9.232111       0.9284934 -1.773190      2.229727  
1 1 1 -6  8  59 o 19.07848 1.438932  3.706621       0.5454581 3.253947       0.7765659 4.147434       0.7663246 -2.344881      2.877865  
1 1 1 -6  8  60 o 56.11967 2.394018  32.07436       2.687030  32.07436       2.687030  ?              ?         ?              ?         
1 1 1 -6  8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  9  1  f 262.2903 3.350025  687.7337       16.55173  686.4313       20.24238  690.3614       28.75178  -0.6934814     6.700050  
1 1 1 -6  9  2  o 273.0135 3.478795  747.0083       17.97383  749.4070       22.11379  742.3390       30.85325  1.353790       6.957589  
1 1 1 -6  9  3  o 364.0175 3.787173  1326.152       27.57194  1326.575       38.99485  1325.728       38.99037  0.1163330      7.574346  
1 1 1 -6  9  4  o 627.2439 6.521370  3919.696       81.39637  3719.988       108.7539  4174.045       122.7334  -36.01385      13.04274  
1 1 1 -6  9  5  f 644.2034 6.707433  4133.875       85.90001  3933.649       114.3017  4393.707       130.2086  -35.49542      13.41487  
1 1 1 -6  9  6  o 570.0934 5.950879  3224.291       67.27269  3025.884       88.50517  3495.765       103.5272  -41.03217      11.90176  
1 1 1 -6  9  7  o 223.4076 2.333813  498.8078       10.41952  510.1284       15.09973  488.5175       14.39628  4.833359       4.667626  
1 1 1 -6  9  8  f 405.9999 4.216433  1643.114       34.11174  1574.257       45.95138  1727.639       50.91163  -18.84668      8.432866  
1 1 1 -6  9  9  o 496.5308 6.426898  2391.906       57.56976  2293.903       67.41589  2655.844       110.6353  -35.87183      12.85380  
1 1 1 -6  9  10 o 172.4891 2.570987  297.6461       8.869344  297.5072       12.53765  297.7852       12.54865  -0.8053589E-01 5.141975  
1 1 1 -6  9  11 o 538.6466 7.951612  2888.929       85.02476  3106.296       130.0305  2726.573       112.3781  34.92554       15.90322  
1 1 1 -6  9  12 o 230.0687 3.404225  529.5251       15.65895  521.8817       21.81116  537.6552       22.49485  -3.422333      6.808450  
1 1 1 -6  9  13 o 380.5144 5.595645  1451.029       42.57872  1438.917       59.63528  1463.624       60.81278  -3.229340      11.19129  
1 1 1 -6  9  14 o 249.8811 3.170739  630.1311       15.17385  606.4137       25.17922  643.6564       19.01442  -7.505615      6.341477  
1 1 1 -6  9  15 f 130.1069 1.393378  169.1068       3.622115  165.1386       4.990370  173.5248       5.265592  -3.221649      2.786756  
1 1 1 -6  9  16 o 229.6125 2.398186  527.4610       11.01242  524.1860       15.47351  530.8224       15.67632  -1.443542      4.796372  
1 1 1 -6  9  17 o 494.4215 5.149879  2451.153       50.92397  2448.180       71.88684  2454.147       72.14861  -0.5985718     10.29976  
1 1 1 -6  9  18 o 102.8840 1.123572  105.5654       2.306679  110.1377       3.403267  101.6800       3.137223  4.109108       2.247144  
1 1 1 -6  9  19 o 256.0229 2.671722  654.3749       13.64955  632.3388       18.57306  680.2533       20.12723  -9.338654      5.343443  
1 1 1 -6  9  20 o 468.0485 4.862729  2198.041       45.51962  2200.897       64.49767  2195.206       64.25196  0.6019897      9.725458  
1 1 1 -6  9  21 o 257.3229 2.685458  662.7081       13.81736  671.2300       19.80003  654.6185       19.29129  3.220154       5.370916  
1 1 1 -6  9  22 o 186.4317 1.961851  345.8977       7.281023  366.7885       10.94672  329.3228       9.750605  10.03349       3.923701  
1 1 1 -6  9  23 o 113.5590 1.231430  128.8930       2.794969  131.7010       4.041422  126.3189       3.869545  2.368225       2.462859  
1 1 1 -6  9  24 f 105.2873 1.150760  110.5150       2.416942  106.0236       3.278795  115.8598       3.576753  -4.668388      2.301520  
1 1 1 -6  9  25 o 96.07948 1.063779  91.80311       2.034616  97.65244       3.060178  87.16882       2.723862  5.452850       2.127557  
1 1 1 -6  9  26 o 261.0162 2.724322  682.3940       14.22150  685.0787       20.19665  679.7538       20.02889  1.016449       5.448644  
1 1 1 -6  9  27 o 283.9363 2.962222  806.9158       16.80398  828.4908       24.44363  787.5827       23.13884  7.170715       5.924443  
1 1 1 -6  9  28 o 165.3100 1.750801  273.2737       5.784548  279.0473       8.367399  267.9883       8.005753  3.339142       3.501602  
1 1 1 -6  9  29 o 180.2498 1.901177  325.0591       6.850761  330.5391       9.863854  319.9524       9.522060  2.930313       3.802354  
1 1 1 -6  9  30 o 99.09105 1.100469  97.94385       2.175774  102.1547       3.212378  94.37486       2.957428  3.922615       2.200937  
1 1 1 -6  9  31 o 123.8547 1.340337  151.9879       3.293437  164.9530       5.057031  142.4387       4.340005  9.077965       2.680674  
1 1 1 -6  9  32 f 90.07329 1.020973  81.01873       1.836687  78.59477       2.518596  83.77202       2.684245  -2.871735      2.041946  
1 1 1 -6  9  33 o 76.07631 0.8963097 57.59910       1.358938  54.55543       1.830516  61.33612       2.028327  -4.453804      1.792619  
1 1 1 -6  9  34 o 153.2294 1.633894  234.3746       4.994880  225.5360       6.783695  244.8403       7.381799  -6.282791      3.267787  
1 1 1 -6  9  35 o 162.4818 1.727971  263.5198       5.598448  276.0930       8.311710  253.0785       7.574363  7.056091       3.455942  
1 1 1 -6  9  36 o 110.3785 1.212787  121.8296       2.675039  124.8222       3.880129  119.1188       3.692960  2.578171       2.425573  
1 1 1 -6  9  37 o 55.13836 0.7353368 30.37498       0.8103222 29.33104       1.120439  31.51981       1.173327  -1.983696      1.470674  
1 1 1 -6  9  38 o 76.35539 0.9016916 58.03444       1.371596  61.75564       2.052719  55.03295       1.843554  4.395988       1.803383  
1 1 1 -6  9  39 o 24.01203 0.6997103 5.766401       0.3356338 5.814240       0.4875297 5.723302       0.4627546 0.1887283      1.399421  
1 1 1 -6  9  40 o 22.87526 0.7425328 5.230063       0.3341258 4.036937       0.4576944 6.591420       0.4888981 -5.582499      1.485066  
1 1 1 -6  9  41 f 81.07640 1.345040  65.86845       2.180122  66.66476       3.135798  65.12344       3.033083  0.9440460      2.690079  
1 1 1 -6  9  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  9  43 f 14.35313 1.557157  2.016189       0.4268347 2.759836       0.6768575 1.525214       0.5499754 4.465208       3.114313  
1 1 1 -6  9  44 o 42.00586 0.6931173 17.63747       0.5815631 18.08919       0.8479997 17.23635       0.7990867 1.012993       1.386235  
1 1 1 -6  9  45 o 118.4602 1.304206  140.6466       3.087382  137.1917       4.262746  144.4587       4.477611  -3.047646      2.608411  
1 1 1 -6  9  46 o 25.40515 0.7700043 6.485706       0.3894102 5.788837       0.5525355 7.173437       0.5489008 -2.725254      1.540009  
1 1 1 -6  9  47 o 41.08166 0.7093719 16.83420       0.5813460 15.25489       0.7975462 18.62460       0.8491752 -4.098068      1.418744  
1 1 1 -6  9  48 o 22.62787 0.8413001 5.173862       0.3734683 3.967452       0.5216923 6.442047       0.5348824 -5.466940      1.682600  
1 1 1 -6  9  49 o 68.01381 0.8681517 46.10607       1.177264  43.13387       1.590300  49.70971       1.751098  -4.819389      1.736303  
1 1 1 -6  9  50 o 19.88232 0.9369187 4.043504       0.3651514 3.317001       0.5367962 4.669211       0.4981687 -3.404680      1.873837  
1 1 1 -6  9  51 f 72.18057 0.9115519 52.08241       1.313363  49.51058       1.790300  55.07935       1.932603  -3.840843      1.823104  
1 1 1 -6  9  52 o 35.70517 0.7552313 12.78432       0.5387406 12.08645       0.7609171 13.48580       0.7628753 -1.959389      1.510463  
1 1 1 -6  9  53 o 58.89120 0.8261562 34.73047       0.9715458 35.60730       1.420999  33.96080       1.331328  1.387146       1.652312  
1 1 1 -6  9  54 o 32.67828 0.7874098 10.70373       0.5138016 10.77500       0.7492177 10.64045       0.7059606 0.2006111      1.574820  
1 1 1 -6  9  55 o 25.05210 0.8918238 6.292079       0.4460606 6.441183       0.6534210 6.161952       0.6104217 0.5505924      1.783648  
1 1 1 -6  9  56 o 30.47752 0.9560028 9.348159       0.5809649 8.495564       0.8202859 10.20627       0.8229374 -2.806057      1.912006  
1 1 1 -6  9  57 o 11.88154 1.934294  1.543655       0.4690072 0.9089633      0.7117301 2.030799       0.6235380 -4.549706      3.868587  
1 1 1 -6  9  58 f 33.99034 1.109630  11.58373       0.7525741 12.63303       1.107078  10.68228       1.026127  2.850868       2.219261  
1 1 1 -6  9  59 o 37.79286 1.117998  14.39751       0.8446333 14.94611       1.196542  13.85265       1.192453  1.445641       2.235995  
1 1 1 -6  9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  9  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  10 1  f 236.7147 2.469740  560.2325       11.68674  551.0154       16.22675  570.1664       16.84572  -4.041794      4.939479  
1 1 1 -6  10 2  o 342.7703 3.559728  1175.016       24.38830  1154.065       33.78994  1197.799       35.23602  -6.368378      7.119456  
1 1 1 -6  10 3  o 328.7352 3.417199  1080.767       22.45382  1100.145       32.42115  1062.905       31.12735  5.654510       6.834397  
1 1 1 -6  10 4  o 132.8047 1.422113  176.3824       3.777098  177.4642       5.372547  175.3250       5.311226  0.8052216      2.844227  
1 1 1 -6  10 5  f 512.1033 5.334451  2618.667       54.49992  2513.756       73.99025  2743.097       80.57972  -22.31418      10.66890  
1 1 1 -6  10 6  o 413.9994 4.304262  1709.056       35.50909  1640.156       47.84713  1793.527       52.97895  -18.47314      8.608524  
1 1 1 -6  10 7  o 537.7936 5.593910  2891.026       60.05270  2789.531       81.93136  3008.853       88.27800  -20.30859      11.18782  
1 1 1 -6  10 8  o 533.1054 5.546963  2835.090       58.93053  2705.481       79.39771  2994.073       87.93546  -26.95349      11.09393  
1 1 1 -6  10 9  o 199.6024 2.095315  398.0986       8.357042  408.2947       12.13208  388.8920       11.52831  4.857193       4.190631  
1 1 1 -6  10 10 o 134.7304 1.436234  181.2014       3.863979  175.7170       5.289064  187.4789       5.658618  -4.363602      2.872468  
1 1 1 -6  10 11 f 421.5194 4.377850  1779.265       36.90470  1792.683       52.54670  1766.204       51.84268  3.132538       8.755699  
1 1 1 -6  10 12 o 378.9668 5.572093  1437.496       42.17450  1398.633       57.85608  1481.562       61.60807  -10.88116      11.14419  
1 1 1 -6  10 13 o 441.9138 5.609375  1966.249       47.04488  1984.030       58.14991  1932.562       80.03952  6.195618       11.21875  
1 1 1 -6  10 14 o 210.3643 2.729260  435.0889       10.53242  423.8836       12.51998  462.2188       19.48112  -9.049438      5.458520  
1 1 1 -6  10 15 f 204.9039 3.038219  420.2091       12.44972  417.1285       17.46603  423.3910       17.75055  -1.525009      6.076438  
1 1 1 -6  10 16 o 223.0038 3.302853  497.9149       14.73087  499.4332       20.88153  496.4109       20.78400  0.6763306      6.605705  
1 1 1 -6  10 17 o 123.1309 1.877376  151.6789       4.623254  151.5773       6.531866  151.7809       6.544692  -0.8259583E-01 3.754752  
1 1 1 -6  10 18 o 325.6955 4.122019  1072.745       25.73419  1029.260       42.57520  1097.778       32.30301  -10.72177      8.244038  
1 1 1 -6  10 19 o 71.63243 0.9136820 49.09133       1.238734  58.14499       2.205354  44.91832       1.497239  9.228882       1.827364  
1 1 1 -6  10 20 o 127.8301 1.372152  163.2850       3.505201  159.4465       4.840830  167.5158       5.082177  -3.154350      2.744303  
1 1 1 -6  10 21 f 271.7863 2.833490  737.7139       15.36484  768.1970       22.69141  711.9039       20.87980  10.32236       5.666980  
1 1 1 -6  10 22 o 166.2431 1.756240  276.4485       5.837596  272.6284       8.139499  280.4947       8.376833  -2.362762      3.512480  
1 1 1 -6  10 23 o 56.41144 0.7191368 29.94738       0.7800729 38.90191       1.350142  25.46032       0.9557388 11.91159       1.438274  
1 1 1 -6  10 24 o 146.3775 1.559336  214.2602       4.562947  218.1370       6.573444  210.6551       6.338910  2.552795       3.118673  
1 1 1 -6  10 25 o 157.8266 1.674103  247.4332       5.252300  233.8500       6.982152  265.1388       7.971536  -9.899292      3.348207  
1 1 1 -6  10 26 o 145.4119 1.549501  211.4452       4.504195  207.7231       6.255322  215.4531       6.491000  -2.654800      3.099002  
1 1 1 -6  10 27 f 178.6532 1.886475  319.4371       6.740053  321.6581       9.598284  317.2766       9.466825  1.224014       3.772949  
1 1 1 -6  10 28 o 189.7890 1.998454  360.2970       7.580390  368.2510       10.96888  353.0255       10.48788  4.001709       3.996908  
1 1 1 -6  10 29 f 56.83607 0.7349374 32.28779       0.8351476 31.41028       1.163710  33.21972       1.199245  -1.591526      1.469875  
1 1 1 -6  10 30 o 92.92905 1.043579  85.78465       1.929572  80.80502       2.575273  92.15855       2.913589  -6.104668      2.087157  
1 1 1 -6  10 31 o 93.50311 1.051370  87.34826       1.963980  89.80499       2.858754  85.15230       2.702780  2.485901       2.102740  
1 1 1 -6  10 32 o 203.9896 2.146215  416.6096       8.750409  408.4405       12.11560  425.5178       12.65170  -4.168457      4.292430  
1 1 1 -6  10 33 f 135.0080 1.451671  181.9115       3.910487  175.0797       5.314929  189.9746       5.774087  -5.505310      2.903342  
1 1 1 -6  10 34 o 33.18627 0.6637698 10.99184       0.4392959 9.870878       0.6070849 12.22395       0.6364727 -3.544865      1.327540  
1 1 1 -6  10 35 o 163.1467 1.735544  265.2727       5.638115  252.5021       7.560461  281.2727       8.462580  -8.781219      3.471088  
1 1 1 -6  10 36 o 58.53978 0.7646173 34.06706       0.8916317 36.69081       1.336002  31.95987       1.197287  4.037903       1.529235  
1 1 1 -6  10 37 f 123.3968 1.343713  152.4295       3.314688  149.6993       4.604537  155.3663       4.775490  -2.288811      2.687426  
1 1 1 -6  10 38 o 86.94232 1.228617  75.34096       1.996617  76.71728       3.533000  74.69513       2.420143  1.115791       2.457234  
1 1 1 -6  10 39 o 84.81598 1.386598  71.98506       2.348668  74.20610       3.434127  70.03320       3.219307  2.447258       2.773196  
1 1 1 -6  10 40 o 43.64075 0.9740340 19.08270       0.8494369 18.62741       1.217139  19.51501       1.186035  -1.018333      1.948068  
1 1 1 -6  10 41 o 42.48259 0.6890756 17.97521       0.5840155 16.44972       0.7968777 19.74531       0.8583938 -3.876614      1.378151  
1 1 1 -6  10 42 o 36.99358 0.6806237 13.64872       0.5026267 12.60274       0.6898072 14.83263       0.7338812 -3.012260      1.361247  
1 1 1 -6  10 43 o 78.93839 1.014280  62.33773       1.585885  61.82701       2.097901  63.01871       2.422522  -0.7351303     2.028560  
1 1 1 -6  10 44 o 44.79453 0.7048444 19.94377       0.6284315 21.49843       0.9469486 18.72018       0.8400890 3.095829       1.409689  
1 1 1 -6  10 45 o 52.37939 0.7456161 27.45263       0.7808617 26.57648       1.090890  28.37324       1.118228  -1.713654      1.491232  
1 1 1 -6  10 46 o 55.02588 0.7638971 30.23502       0.8394676 28.65508       1.150718  32.03244       1.227358  -3.063988      1.527794  
1 1 1 -6  10 47 o 22.52376 0.8010201 5.052703       0.3596944 5.457738       0.5353296 4.719343       0.4856595 1.635418       1.602040  
1 1 1 -6  10 48 o 15.19530 1.136744  2.440322       0.3269708 1.654428       0.4857358 3.091492       0.4421453 -4.733563      2.273489  
1 1 1 -6  10 49 o 27.13114 0.7669286 7.366742       0.4147572 7.469375       0.6140785 7.280647       0.5624292 0.3433704      1.533857  
1 1 1 -6  10 50 o 42.09489 0.7431030 17.61166       0.6224672 19.16232       0.9397235 16.39937       0.8308915 3.271843       1.486206  
1 1 1 -6  10 51 o 16.56218 1.082658  2.814221       0.3507763 2.252570       0.5128613 3.307909       0.4808314 -3.190556      2.165317  
1 1 1 -6  10 52 o 11.22701 1.540901  1.441817       0.3404618 0.4993970      0.5028360 2.239598       0.4626428 -7.405433      3.081802  
1 1 1 -6  10 53 f 33.47707 0.7814522 11.25521       0.5218835 10.33918       0.7384722 12.16917       0.7376381 -2.733288      1.562904  
1 1 1 -6  10 54 o 16.97086 1.117598  2.872219       0.3755029 3.066468       0.5807622 2.732678       0.4922333 0.9668713      2.235196  
1 1 1 -6  10 55 o 21.61899 1.053665  4.578696       0.4472445 3.529078       0.5865262 6.036850       0.6913107 -5.780626      2.107330  
1 1 1 -6  10 56 o 10.12457 2.052880  1.071627       0.4405232 0.8936033      0.6257670 1.246530       0.6202574 -1.453475      4.105760  
1 1 1 -6  10 57 o 70.63351 1.294514  50.23771       1.825922  52.59535       2.674356  48.17905       2.499036  3.080917       2.589029  
1 1 1 -6  10 58 o 8.488867 2.155161  0.6213540      0.4639539 0.7657406      0.7040035 0.5105007      0.6168587 1.139431       4.310322  
1 1 1 -6  10 59 f 67.62471 1.639582  47.03296       2.056592  47.95596       2.496708  45.08489       3.627182  2.531120       3.279165  
1 1 1 -6  10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  11 1  o 510.0280 5.302184  2605.401       54.06075  2650.522       77.86854  2563.416       75.11279  8.500397       10.60437  
1 1 1 -6  11 2  o 342.5416 3.563480  1171.712       24.36265  1215.368       35.85138  1134.256       33.20822  11.81479       7.126959  
1 1 1 -6  11 3  o 127.4620 1.368899  162.2350       3.485322  167.3447       5.083757  157.7034       4.787548  3.780930       2.737797  
1 1 1 -6  11 4  o 111.7288 1.210796  124.4523       2.698831  130.1904       3.990572  119.6155       3.663779  4.731369       2.421592  
1 1 1 -6  11 5  o 430.3853 4.467464  1854.727       38.44742  1874.770       55.01239  1835.590       53.75515  4.536591       8.934929  
1 1 1 -6  11 6  o 523.5670 5.435290  2732.587       56.64579  2604.041       75.83643  2894.823       85.19656  -27.62982      10.87058  
1 1 1 -6  11 7  f 200.4341 2.102263  401.5551       8.421515  410.1847       12.18312  393.6587       11.65413  4.119431       4.204527  
1 1 1 -6  11 8  o 449.2764 4.665394  2022.080       41.92095  2024.858       59.35254  2019.315       59.21806  0.6150818      9.330788  
1 1 1 -6  11 9  o 200.3161 2.100344  401.2693       8.412001  395.9226       11.72175  406.9468       12.07903  -2.749435      4.200687  
1 1 1 -6  11 10 o 422.5747 4.386105  1782.196       36.95024  1867.065       54.94417  1712.120       49.92653  18.26425       8.772210  
1 1 1 -6  11 11 o 158.0529 2.372879  249.3152       7.485423  259.2592       11.01782  240.7906       10.20125  5.836090       4.745757  
1 1 1 -6  11 12 o 215.1636 2.250933  463.1738       9.686085  465.1022       13.76209  461.2808       13.63518  0.8870087      4.501867  
1 1 1 -6  11 13 f 83.38074 0.9457464 67.92254       1.549979  78.11520       2.486507  61.44493       1.982227  9.994644       1.891493  
1 1 1 -6  11 14 o 271.9561 2.833908  739.6006       15.40127  756.6624       22.32860  724.1166       21.27121  5.971191       5.667816  
1 1 1 -6  11 15 o 241.2747 2.518589  582.4166       12.15009  590.3102       17.42958  574.9546       16.94625  3.176682       5.037177  
1 1 1 -6  11 16 o 75.32710 0.8671106 56.02553       1.293925  61.87014       2.003935  51.84647       1.694511  6.652115       1.734221  
1 1 1 -6  11 17 o 320.8167 3.338099  1030.724       21.41449  1042.135       30.63597  1019.823       29.94516  3.465118       6.676198  
1 1 1 -6  11 18 f 100.7742 1.367496  100.4818       2.557025  98.68559       3.072697  104.5272       4.611312  -2.886444      2.734992  
1 1 1 -6  11 19 o 308.9170 4.557937  957.3855       28.14812  942.4219       39.12096  973.4474       40.53140  -4.980652      9.115873  
1 1 1 -6  11 20 o 97.10665 1.520396  94.13068       2.947581  91.01830       4.026738  97.72352       4.326391  -3.449249      3.040792  
1 1 1 -6  11 21 o 177.2490 2.644996  314.6612       9.376439  315.0464       13.27558  314.2777       13.24504  0.2162018      5.289992  
1 1 1 -6  11 22 o 134.1054 2.031702  179.9562       5.447866  182.3369       7.810570  177.7007       7.602533  1.725143       4.063405  
1 1 1 -6  11 23 o 181.7108 2.359190  327.6534       7.969363  338.5327       14.29727  322.7496       9.598853  4.257965       4.718379  
1 1 1 -6  11 24 o 186.9531 1.969203  348.0072       7.330810  331.6146       9.832279  368.5264       11.00046  -9.853226      3.938407  
1 1 1 -6  11 25 o 41.10162 0.6371300 16.89913       0.5235506 16.72668       0.7483338 17.06447       0.7327374 -0.4110069     1.274260  
1 1 1 -6  11 26 o 161.3884 1.711012  260.1545       5.513934  252.2240       7.546155  269.2392       8.076602  -5.263092      3.422024  
1 1 1 -6  11 27 o 129.4401 1.394770  166.3623       3.588487  178.7413       5.450998  156.8940       4.767230  8.429619       2.789539  
1 1 1 -6  11 28 o 164.3815 1.741897  270.3542       5.724837  266.4551       7.974361  274.5009       8.223677  -2.442627      3.483795  
1 1 1 -6  11 29 o 175.5705 1.855996  307.1891       6.492378  293.4872       8.736801  324.0859       9.702095  -8.693375      3.711993  
1 1 1 -6  11 30 o 73.29968 0.8709296 53.55080       1.273335  56.26780       1.886428  51.27677       1.725810  3.402733       1.741859  
1 1 1 -6  11 31 o 93.65028 1.051670  87.66280       1.968161  89.67802       2.853390  85.83382       2.718319  2.050270       2.103340  
1 1 1 -6  11 32 o 31.06683 0.6580105 9.445726       0.4044079 11.42861       0.6263272 8.027997       0.5296023 5.472000       1.316021  
1 1 1 -6  11 33 o 76.87865 0.9045733 58.52215       1.380203  63.92251       2.116267  54.52489       1.820709  6.106705       1.809147  
1 1 1 -6  11 34 f 56.68643 0.7472897 31.80595       0.8413765 35.00331       1.285355  29.40879       1.112951  4.931660       1.494579  
1 1 1 -6  11 35 o 125.9559 1.667384  160.1558       4.009471  154.9895       6.708913  163.0262       5.000779  -3.265633      3.334769  
1 1 1 -6  11 36 o 164.8090 2.488151  272.8670       8.194947  266.6387       11.32214  279.7202       11.87654  -3.924576      4.976301  
1 1 1 -6  11 37 f 69.80390 1.200767  48.79585       1.676301  48.33495       2.371619  49.25599       2.369677  -0.6598206     2.401534  
1 1 1 -6  11 38 o 51.81611 0.8739763 27.39270       0.8763976 29.21865       1.129086  24.62520       1.390036  4.441753       1.747953  
1 1 1 -6  11 39 o 93.44879 1.059521  87.45023       1.980189  86.95366       2.791260  87.95336       2.809651  -0.5340042     2.119042  
1 1 1 -6  11 40 o 134.1139 1.452068  180.2434       3.892354  176.3828       5.389194  184.4536       5.627793  -2.991806      2.904137  
1 1 1 -6  11 41 o 90.70609 1.468718  82.51746       2.663710  81.39159       3.715238  83.70841       3.821102  -1.268730      2.937436  
1 1 1 -6  11 42 o 38.53677 0.9173184 14.69205       0.6844077 15.57244       1.133201  14.18651       0.8587137 1.783669       1.834637  
1 1 1 -6  11 43 o 9.331179 1.422001  0.9412175      0.2756211 0.3564870      0.4002632 1.468500       0.3800927 -5.545135      2.844002  
1 1 1 -6  11 44 o 81.28299 0.9612189 66.12540       1.561243  67.68176       2.265236  64.71716       2.154767  1.816132       1.922438  
1 1 1 -6  11 45 o 91.86334 1.058009  84.19510       1.937330  79.85102       2.612808  89.49989       2.887308  -5.228081      2.116018  
1 1 1 -6  11 46 o 17.12568 0.9389013 2.909033       0.3198221 3.248721       0.4839467 2.645646       0.4261414 1.755867       1.877803  
1 1 1 -6  11 47 f 23.14965 0.8148137 5.193164       0.3707506 6.715536       0.5854072 4.173610       0.4790744 5.481321       1.629627  
1 1 1 -6  11 48 o 65.45647 0.8467476 42.82089       1.106105  44.66985       1.630196  41.24347       1.505743  2.605904       1.693495  
1 1 1 -6  11 49 o 78.60188 0.9553275 61.96509       1.501712  61.03757       2.111377  62.91465       2.136325  -1.191200      1.910655  
1 1 1 -6  11 50 o 24.60323 0.8156744 5.998326       0.3990315 6.804549       0.6039754 5.373829       0.5315659 2.899851       1.631349  
1 1 1 -6  11 51 o 60.86629 0.8300732 37.14517       1.010000  37.16777       1.450827  37.12391       1.406897  0.3104401E-01  1.660146  
1 1 1 -6  11 52 o 7.823430 1.632201  0.4451149      0.3249212 1.181350       0.4960884 -0.1079852     0.4299845 5.551229       3.264402  
1 1 1 -6  11 53 o 6.555859 1.776590  0.2965472      0.3256297 0.2944009      0.4849212 0.2983099      0.4394492 0.1892276      3.553180  
1 1 1 -6  11 54 o 54.64697 0.8209082 29.64083       0.8923537 26.57996       1.191653  33.54845       1.346431  -6.353603      1.641816  
1 1 1 -6  11 55 o 33.08418 0.9699919 10.99274       0.6216334 10.97792       0.7865745 11.01738       1.014557  -0.2046585E-01 1.939984  
1 1 1 -6  11 56 o 55.00600 1.150656  30.46834       1.265639  31.05279       1.810386  29.90964       1.770063  1.030029       2.301312  
1 1 1 -6  11 57 o 26.46577 1.212958  7.017157       0.6340916 5.604396       0.8607269 8.693861       0.9376900 -5.817299      2.425917  
1 1 1 -6  11 58 o 37.76359 1.120809  14.37784       0.8457720 15.12063       1.199388  13.64313       1.192844  1.954639       2.241617  
1 1 1 -6  11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  11 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  12 1  o 243.8580 2.543894  594.4518       12.39664  581.8254       17.11898  608.3729       17.97535  -5.436066      5.087788  
1 1 1 -6  12 2  f 199.3677 2.089565  397.6313       8.331769  396.7665       11.75534  398.5044       11.81065  -0.4354706     4.179129  
1 1 1 -6  12 3  f 122.7203 1.319818  149.1172       3.212515  139.6850       4.229300  161.9817       4.939234  -9.081299      2.639636  
1 1 1 -6  12 4  o 106.4657 1.158043  113.3587       2.465758  113.9392       3.504142  112.7894       3.470321  0.5398178      2.316086  
1 1 1 -6  12 5  f 438.7045 4.556707  1927.784       39.96950  1952.141       57.34668  1904.775       55.73845  5.373962       9.113414  
1 1 1 -6  12 6  o 227.8003 2.379925  519.1293       10.84145  514.4622       15.18200  523.9857       15.48680  -2.087845      4.759849  
1 1 1 -6  12 7  o 233.4351 2.438381  544.5678       11.37213  531.4326       15.65920  559.2265       16.54236  -5.945679      4.876761  
1 1 1 -6  12 8  o 277.4782 2.893720  769.2878       16.03544  747.7065       21.97840  793.8514       23.44794  -8.299561      5.787441  
1 1 1 -6  12 9  o 423.0638 4.395574  1792.824       37.18027  1766.199       51.79702  1821.124       53.40136  -6.464386      8.791147  
1 1 1 -6  12 10 o 97.81131 1.250701  95.52017       2.443258  98.72265       3.570392  92.69976       3.350644  3.077721       2.501401  
1 1 1 -6  12 11 o 32.38255 0.5855789 10.44034       0.3783953 11.24531       0.5579177 9.754636       0.5149276 2.301558       1.171158  
1 1 1 -6  12 12 o 145.6997 1.548894  211.3264       4.495551  201.6032       6.043195  223.3745       6.726972  -7.466476      3.097787  
1 1 1 -6  12 13 o 126.6827 1.362492  160.4218       3.450273  163.5756       4.977308  157.5045       4.787096  2.394920       2.724985  
1 1 1 -6  12 14 o 122.1743 1.315087  148.0735       3.191704  159.5266       4.864843  139.4182       4.229129  8.225105       2.630174  
1 1 1 -6  12 15 o 263.5005 2.747298  695.0255       14.47630  701.4208       20.67842  688.8785       20.27277  2.373810       5.494596  
1 1 1 -6  12 16 f 196.2063 2.060805  385.1631       8.085443  389.2421       11.56473  381.2626       11.30866  2.030334       4.121609  
1 1 1 -6  12 17 o 81.69479 0.9266760 66.71664       1.513463  67.87924       2.178458  65.63196       2.104191  1.374962       1.853352  
1 1 1 -6  12 18 o 151.8872 1.619649  230.7341       4.917956  228.0714       6.839395  233.5848       7.076757  -1.812225      3.239298  
1 1 1 -6  12 19 o 98.00575 1.081396  95.95624       2.117504  98.60983       3.079195  93.57543       2.916621  2.567039       2.162791  
1 1 1 -6  12 20 o 136.4381 1.457939  186.0391       3.974832  181.6714       5.483970  190.8733       5.769408  -3.368820      2.915877  
1 1 1 -6  12 21 o 143.8193 1.532269  206.0325       4.391173  217.1769       6.555986  196.9648       5.913678  7.019196       3.064538  
1 1 1 -6  12 22 o 115.9521 1.544639  134.2126       3.363144  133.6298       4.097950  135.4148       5.886058  -0.7481689     3.089278  
1 1 1 -6  12 23 f 219.7658 2.821741  484.2470       11.70510  484.9503       14.35728  482.8532       20.21335  0.6165924      5.643482  
1 1 1 -6  12 24 o 78.82292 1.291954  61.80623       2.028676  58.42854       2.725691  66.00101       3.037539  -4.799812      2.583909  
1 1 1 -6  12 25 o 82.15993 1.340730  67.04048       2.191868  72.32376       3.309171  62.91080       2.925672  5.723549       2.681461  
1 1 1 -6  12 26 o 102.4999 1.602030  104.3037       3.263750  98.11082       4.334167  112.4148       4.960196  -6.967216      3.204059  
1 1 1 -6  12 27 o 275.1010 4.074418  760.5780       22.41387  753.4636       31.36264  768.0051       32.04437  -2.612335      8.148836  
1 1 1 -6  12 28 o 101.7940 1.391990  102.3002       2.618255  107.2952       4.766640  100.1420       3.133258  3.487129       2.783979  
1 1 1 -6  12 29 o 78.02715 0.9115064 60.75299       1.419780  63.22807       2.086447  58.61856       1.937553  2.951965       1.823013  
1 1 1 -6  12 30 o 130.8573 1.411495  170.6429       3.681229  163.0406       4.963204  179.9394       5.488416  -6.445473      2.822990  
1 1 1 -6  12 31 o 145.4352 1.555267  211.6763       4.522270  214.6772       6.497282  208.8564       6.298273  1.995987       3.110534  
1 1 1 -6  12 32 o 88.51407 1.246837  76.65115       2.017485  82.75256       3.768168  74.19933       2.388694  4.797325       2.493675  
1 1 1 -6  12 33 o 107.8286 1.681562  116.3350       3.622369  119.5154       5.273715  113.4944       4.984149  2.780678       3.363124  
1 1 1 -6  12 34 o 128.7831 1.972557  166.3304       5.080189  167.3250       7.241291  165.3665       7.128969  0.7544098      3.945114  
1 1 1 -6  12 35 o 50.07526 0.8587638 25.08877       0.8177738 25.08147       1.010526  25.10261       1.392057  -0.1076508E-01 1.717528  
1 1 1 -6  12 36 o 68.55534 0.8377438 47.00457       1.148050  47.79840       1.655265  46.26871       1.593664  1.113876       1.675488  
1 1 1 -6  12 37 o 124.9039 1.358042  156.1328       3.388627  160.5551       4.935380  152.1887       4.660876  3.333832       2.716083  
1 1 1 -6  12 38 o 65.45908 0.8165153 42.86637       1.068470  43.47918       1.538829  42.29591       1.484712  0.9018250      1.633031  
1 1 1 -6  12 39 o 50.15227 0.7157586 25.04978       0.7162111 23.26277       0.9740576 27.15304       1.056737  -3.875557      1.431517  
1 1 1 -6  12 40 o 64.80779 1.066652  41.76171       1.352246  40.63501       1.729119  43.53583       2.169760  -2.212986      2.133305  
1 1 1 -6  12 41 o 48.49940 0.7259161 23.43684       0.7025282 21.61682       0.9585573 25.54899       1.032622  -4.050774      1.451832  
1 1 1 -6  12 42 o 36.36444 0.6988499 13.16525       0.5058360 11.47104       0.6905517 15.12685       0.7430499 -5.024189      1.397700  
1 1 1 -6  12 43 o 62.44234 0.8116686 38.80662       1.009070  41.43150       1.516756  36.72235       1.351568  3.761398       1.623337  
1 1 1 -6  12 44 o 45.50993 0.7209563 20.42772       0.6512204 17.67822       0.8643836 24.03694       0.9903427 -6.978874      1.441913  
1 1 1 -6  12 45 o 8.963323 1.594899  0.8286972      0.2846225 0.9501562      0.4319253 0.7354767      0.3783988 1.126455       3.189798  
1 1 1 -6  12 46 f 42.23495 0.7155886 17.86582       0.6038750 16.85167       0.8487869 18.90532       0.8593273 -2.430458      1.431177  
1 1 1 -6  12 47 o 16.67622 1.000383  2.767814       0.3323636 3.082788       0.4956711 2.510510       0.4480017 1.710792       2.000766  
1 1 1 -6  12 48 o 32.48531 0.7364898 10.46911       0.4754837 11.47670       0.7237706 9.704061       0.6306728 2.720392       1.472980  
1 1 1 -6  12 49 f 30.86921 0.7494976 9.445403       0.4597375 10.46236       0.7005802 8.676249       0.6092739 2.884300       1.498995  
1 1 1 -6  12 50 o 40.40722 0.7434503 16.39214       0.5996475 15.69675       0.8630589 17.04110       0.8337590 -1.666462      1.486901  
1 1 1 -6  12 51 o 16.22083 1.121582  2.707918       0.3551359 2.211936       0.5288357 3.115316       0.4792880 -2.792474      2.243163  
1 1 1 -6  12 52 o 30.53809 0.7984560 9.382813       0.4859995 8.721845       0.6988109 10.00198       0.6763532 -2.098652      1.596912  
1 1 1 -6  12 53 o 17.38853 1.109842  3.105094       0.3770297 2.416400       0.5448629 3.737825       0.5222562 -3.803924      2.219685  
1 1 1 -6  12 54 o 6.652645 1.781289  0.2006278      0.3436101 0.6314175      0.5303320 -0.1110595     0.4511021 2.967186       3.562577  
1 1 1 -6  12 55 o 51.43696 1.032510  26.21006       1.039792  24.77882       1.325020  28.50417       1.677546  -3.552681      2.065021  
1 1 1 -6  12 56 o 23.35982 1.237924  5.455719       0.5757976 6.115097       0.8624900 4.925552       0.7733801 2.524006       2.475847  
1 1 1 -6  12 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  12 58 f 60.44348 1.718970  36.88218       2.078011  36.88218       2.078011  ?              ?         ?              ?         
1 1 1 -6  12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  13 1  o 468.6131 4.877633  2195.775       45.58525  2120.739       61.77944  2285.457       67.53954  -17.45459      9.755266  
1 1 1 -6  13 2  o 268.8957 2.804510  722.7463       15.06454  704.6851       20.71092  743.0373       21.95218  -7.116577      5.609020  
1 1 1 -6  13 3  o 272.3764 2.838951  742.1229       15.45635  756.2009       22.31513  729.1407       21.42896  4.956665       5.677902  
1 1 1 -6  13 4  o 321.9503 3.348008  1037.631       21.55256  1025.257       30.08384  1050.679       30.89207  -3.936523      6.696016  
1 1 1 -6  13 5  o 167.9288 1.773206  282.0210       5.953927  278.3961       8.308071  285.8482       8.536838  -2.217072      3.546411  
1 1 1 -6  13 6  o 133.0424 1.422043  176.6862       3.777479  183.0009       5.538356  171.1934       5.165442  4.435150       2.844087  
1 1 1 -6  13 7  o 282.1433 2.940235  796.2062       16.57791  814.1559       24.02837  779.9006       22.90162  6.055450       5.880470  
1 1 1 -6  13 8  f 78.71414 1.286970  61.53730       2.016169  66.27706       3.039469  57.81312       2.694233  5.374283       2.573940  
1 1 1 -6  13 9  o 43.17124 0.6291770 18.63719       0.5431931 18.54570       0.7620671 18.73169       0.7744650 -0.2153740     1.258354  
1 1 1 -6  13 10 o 208.8237 2.188749  436.2769       9.139526  441.0544       13.07814  431.7164       12.77758  2.232513       4.377499  
1 1 1 -6  13 11 o 312.0298 3.247226  973.3564       20.23193  945.3180       27.68897  1005.474       29.63453  -9.605957      6.494452  
1 1 1 -6  13 12 o 100.6903 1.106182  101.2246       2.224504  104.6547       3.251452  98.20622       3.050046  3.200920       2.212363  
1 1 1 -6  13 13 o 264.3832 2.756999  699.8303       14.57734  703.6780       20.74112  696.0745       20.49206  1.433929       5.513998  
1 1 1 -6  13 14 o 157.8298 1.675562  248.9149       5.283472  242.8360       7.274182  255.7030       7.686796  -4.071854      3.351124  
1 1 1 -6  13 15 o 306.3393 3.190519  939.9341       19.54102  927.1721       27.21625  953.5131       28.07407  -4.280487      6.381037  
1 1 1 -6  13 16 o 178.1453 1.877924  317.5678       6.690361  319.6167       9.531618  315.5780       9.393101  1.131607       3.755849  
1 1 1 -6  13 17 o 188.0631 1.979200  353.9131       7.443029  357.9333       10.64494  350.0676       10.41102  2.087555       3.958401  
1 1 1 -6  13 18 o 214.4363 2.247195  459.6365       9.624665  473.6202       14.05362  447.2843       13.20833  6.125412       4.494390  
1 1 1 -6  13 19 o 139.7876 1.492657  195.2362       4.168558  190.1431       5.736430  200.9351       6.067996  -3.856293      2.985315  
1 1 1 -6  13 20 o 267.2752 2.789154  713.9034       14.87889  740.9205       21.89540  690.7233       20.28107  9.355011       5.578308  
1 1 1 -6  13 21 o 43.90408 0.6420533 19.00604       0.5593083 21.51182       0.8595312 17.16583       0.7365874 4.948746       1.284107  
1 1 1 -6  13 22 f 183.3495 1.934400  334.3674       7.055377  356.2027       10.65869  317.3387       9.412690  10.57671       3.868799  
1 1 1 -6  13 23 o 104.3335 1.148351  108.8378       2.395146  110.6212       3.449588  107.1778       3.328170  1.648849       2.296702  
1 1 1 -6  13 24 o 104.8293 1.155650  108.8422       2.404539  101.6436       3.173315  118.5482       3.684780  -8.057014      2.311301  
1 1 1 -6  13 25 o 130.8039 1.406725  170.8287       3.673448  177.0809       5.392958  165.4168       5.017426  4.452957       2.813450  
1 1 1 -6  13 26 f 223.5306 2.343884  499.7769       10.46507  486.4243       14.36935  514.8586       15.27151  -6.336273      4.687768  
1 1 1 -6  13 27 o 365.6691 4.683342  1348.270       32.31718  1350.109       39.64155  1344.626       55.80297  1.670013       9.366684  
1 1 1 -6  13 28 o 195.1078 2.535718  377.8796       9.186595  371.6590       11.05104  391.7927       16.52734  -4.965073      5.071436  
1 1 1 -6  13 29 o 143.3606 3.071281  0.000000       0.000000  ?              ?         205.9584       8.806013  ?              ?         
1 1 1 -6  13 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  13 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  13 32 o 107.9977 2.388354  116.8578       5.158735  116.8578       5.158735  ?              ?         ?              ?         
1 1 1 -6  13 33 o 75.64782 1.107056  55.92484       1.537258  60.68119       2.853673  53.98030       1.824636  4.397675       2.214112  
1 1 1 -6  13 34 o 45.88001 0.6835843 21.04912       0.6268830 21.32420       0.9046596 20.79502       0.8694795 0.5759163      1.367169  
1 1 1 -6  13 35 o 113.3248 1.245366  128.4339       2.819057  132.1606       4.111969  125.1290       3.872312  3.092041       2.490732  
1 1 1 -6  13 36 o 127.6537 1.386835  163.1895       3.538485  159.7577       4.900707  166.9273       5.114483  -2.795921      2.773670  
1 1 1 -6  13 37 o 104.9397 1.167456  110.0548       2.445358  114.2632       3.596978  106.4384       3.334442  3.714363       2.334912  
1 1 1 -6  13 38 o 62.63158 0.7994964 39.19898       1.000629  37.69090       1.381195  40.86481       1.451638  -2.531044      1.598993  
1 1 1 -6  13 39 o 38.82635 0.6782063 15.08344       0.5262985 15.13578       0.7588072 15.03492       0.7305913 0.1288605      1.356413  
1 1 1 -6  13 40 o 80.32551 0.9504011 63.91222       1.515661  59.12500       2.001399  70.34952       2.320836  -6.969696      1.900802  
1 1 1 -6  13 41 o 46.69175 1.029327  21.08695       0.9404378 25.59407       1.537332  18.39169       1.188827  7.689056       2.058654  
1 1 1 -6  13 42 o 22.92091 0.7968139 5.294065       0.3628146 4.861427       0.5302975 5.674795       0.4974690 -1.776117      1.593628  
1 1 1 -6  13 43 o 30.69637 0.7207067 9.092883       0.4343971 11.60833       0.6955118 7.484037       0.5562295 6.710051       1.441413  
1 1 1 -6  13 44 o 89.52135 1.038746  80.35134       1.859732  80.30604       2.640910  80.39590       2.619341  -0.5211639E-01 2.077493  
1 1 1 -6  13 45 o 13.02970 1.274669  1.663499       0.3003061 2.786117       0.4762748 0.9226368      0.3869105 7.276880       2.549338  
1 1 1 -6  13 46 o 54.26730 0.7710386 29.45114       0.8353592 30.30561       1.224932  28.70824       1.142159  1.465046       1.542077  
1 1 1 -6  13 47 f 105.9912 1.197372  112.5110       2.532755  107.8041       3.446979  118.0343       3.733916  -4.786789      2.394743  
1 1 1 -6  13 48 o 87.38256 1.033371  76.50844       1.803987  73.82623       2.481049  79.51715       2.627711  -3.237396      2.066742  
1 1 1 -6  13 49 o 39.57990 0.7476965 15.69237       0.5905625 15.79812       0.8658029 15.60037       0.8075950 0.2439499      1.495393  
1 1 1 -6  13 50 o 70.69586 0.9050392 49.92714       1.276682  46.96320       1.735128  53.42594       1.885194  -4.551628      1.810078  
1 1 1 -6  13 51 o 25.95076 0.8594326 6.728646       0.4446554 7.076188       0.6611374 6.441595       0.6008521 1.215055       1.718865  
1 1 1 -6  13 52 o 34.67339 0.7802938 12.06599       0.5399451 11.91034       0.7870819 12.20436       0.7420974 -0.4298363     1.560588  
1 1 1 -6  13 53 o 8.958090 1.868451  0.8242882      0.3565759 0.8999597      0.5303237 0.7618513      0.4817216 0.6896524      3.736903  
1 1 1 -6  13 54 o 34.54964 0.9436691 11.97064       0.6379987 11.89029       0.8201875 12.09374       1.015233  -0.2609367     1.887338  
1 1 1 -6  13 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  13 56 o 67.40766 1.810105  45.90137       2.440299  45.90137       2.440299  ?              ?         ?              ?         
1 1 1 -6  13 57 o 62.26797 1.226751  39.13609       1.527595  38.88919       2.142766  39.39126       2.178366  -0.3934441     2.453502  
1 1 1 -6  13 58 o 50.81364 1.156047  25.98887       1.172841  27.19303       1.721355  24.94549       1.602330  2.178162       2.312094  
1 1 1 -6  13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  14 1  o 285.5128 2.976635  816.0013       16.99241  827.2880       24.38553  805.3480       23.69129  3.830994       5.953270  
1 1 1 -6  14 2  o 143.4679 1.528574  205.6723       4.382028  200.8049       6.043962  211.0665       6.362551  -3.573639      3.057147  
1 1 1 -6  14 3  o 122.1396 1.315815  146.9094       3.173678  135.6692       4.114708  163.4164       4.986368  -11.35264      2.631630  
1 1 1 -6  14 4  o 98.12225 1.081621  96.22077       2.121323  98.37587       3.065439  94.24035       2.938588  2.106590       2.163242  
1 1 1 -6  14 5  o 305.4883 3.181654  934.4092       19.43419  946.5502       27.86384  922.9085       27.11948  3.856537       6.363308  
1 1 1 -6  14 6  f 339.2345 5.001192  1155.311       33.93116  1152.310       47.85060  1158.345       48.12236  -0.8818359     10.00238  
1 1 1 -6  14 7  o 210.2874 2.203807  440.8268       9.237845  462.8351       13.75150  422.7271       12.47077  9.520416       4.407615  
1 1 1 -6  14 8  o 166.0184 1.755135  274.6979       5.808827  288.4285       8.641561  263.3796       7.845816  7.535797       3.510270  
1 1 1 -6  14 9  o 79.81053 0.9148598 63.44972       1.456216  67.03395       2.160053  60.46355       1.971624  4.115204       1.829720  
1 1 1 -6  14 10 o 128.1471 1.377434  163.1810       3.510944  154.5197       4.680511  174.3252       5.309138  -7.722153      2.754869  
1 1 1 -6  14 11 o 188.7341 1.984757  356.2029       7.487004  349.3965       10.36796  363.6201       10.82314  -3.762054      3.969514  
1 1 1 -6  14 12 o 159.5743 1.689893  253.9823       5.378988  265.3618       7.961822  244.4270       7.295814  6.551498       3.379786  
1 1 1 -6  14 13 o 49.30201 0.6708298 24.29737       0.6613021 24.89692       0.9477716 23.72856       0.9231587 1.184776       1.341660  
1 1 1 -6  14 14 o 61.88620 0.7605929 37.42646       0.9269135 43.31598       1.477028  33.60015       1.190527  7.848019       1.521186  
1 1 1 -6  14 15 o 236.9184 2.478354  562.0905       11.74335  561.6976       16.60201  562.4838       16.61321  -0.1657104     4.956707  
1 1 1 -6  14 16 o 370.5161 3.857148  1376.920       28.57404  1359.536       39.83002  1395.354       41.01566  -4.797394      7.714296  
1 1 1 -6  14 17 o 158.7869 1.683115  252.2806       5.344963  253.3907       7.594985  251.1913       7.523362  0.6916504      3.366229  
1 1 1 -6  14 18 o 122.6455 1.328486  148.7647       3.229628  162.9832       4.984389  138.4755       4.240114  9.983299       2.656972  
1 1 1 -6  14 19 o 132.5481 1.421992  175.2768       3.761022  168.8433       5.114979  182.8493       5.549305  -5.278061      2.843985  
1 1 1 -6  14 20 o 186.1407 1.961180  346.8162       7.300983  347.9272       10.36148  345.7207       10.28920  0.5914001      3.922359  
1 1 1 -6  14 21 f 162.0115 1.718082  262.6306       5.566021  265.2958       7.960104  260.0807       7.785874  1.606689       3.436163  
1 1 1 -6  14 22 o 200.3878 2.106037  402.0510       8.440458  401.3200       11.91842  402.7865       11.95488  -0.3651581     4.212074  
1 1 1 -6  14 23 o 154.4620 1.642269  238.7284       5.072550  236.1585       7.097324  241.4120       7.252532  -1.697891      3.284538  
1 1 1 -6  14 24 o 97.54760 1.085357  94.91483       2.112597  99.08479       3.117749  91.37482       2.872611  3.948929       2.170713  
1 1 1 -6  14 25 o 123.6045 1.338034  152.7474       3.305653  149.5318       4.577701  156.2514       4.778564  -2.715012      2.676067  
1 1 1 -6  14 26 o 119.2136 1.612751  137.3358       3.456429  153.4911       6.691607  131.4570       4.036621  9.184982       3.225503  
1 1 1 -6  14 27 o 193.3682 2.885954  374.6265       11.14536  364.0059       15.28376  386.6885       16.28794  -5.820770      5.771908  
1 1 1 -6  14 28 o 139.2861 2.114425  194.3378       5.888678  191.4320       8.214990  197.4090       8.445487  -2.137573      4.228850  
1 1 1 -6  14 29 o 96.60044 1.320894  93.54962       2.417163  93.86126       2.977154  92.94688       4.140457  0.5019531      2.641788  
1 1 1 -6  14 30 o 120.1516 1.308233  144.1063       3.136696  138.7217       4.267344  150.4348       4.626279  -4.863899      2.616467  
1 1 1 -6  14 31 o 19.05618 0.8351731 3.715841       0.3090438 2.725801       0.4410853 4.670496       0.4331312 -5.102688      1.670346  
1 1 1 -6  14 32 o 42.37848 0.6712188 17.90797       0.5676719 18.82515       0.8371007 17.12705       0.7724138 2.002213       1.342438  
1 1 1 -6  14 33 f 140.2491 1.854464  196.3730       4.869864  194.6260       5.912296  200.0592       8.588080  -1.774963      3.708928  
1 1 1 -6  14 34 o 138.9562 2.120721  193.8716       5.891486  190.8693       8.196613  197.0806       8.473944  -2.214035      4.241443  
1 1 1 -6  14 35 o 98.78680 1.569464  97.61104       3.094584  93.90268       4.217122  101.9378       4.555211  -4.044243      3.138929  
1 1 1 -6  14 36 o 55.97183 1.058209  31.12589       1.178396  33.75772       1.781168  29.07726       1.571470  4.170948       2.116419  
1 1 1 -6  14 37 f 69.04301 1.199651  47.63053       1.653669  45.56310       2.258576  50.01949       2.427871  -3.217216      2.399302  
1 1 1 -6  14 38 o 65.77081 1.010927  43.74215       1.269198  41.89906       2.118528  44.77401       1.585153  -2.214020      2.021854  
1 1 1 -6  14 39 o 92.71387 1.298265  86.27086       2.270843  85.95192       3.924293  86.43141       2.784373  -0.3415070     2.596531  
1 1 1 -6  14 40 o 72.81638 1.268799  53.07698       1.843662  54.67314       2.714849  51.71080       2.511654  2.017105       2.537597  
1 1 1 -6  14 41 o 53.84653 0.7530672 28.94807       0.8098925 27.24108       1.112915  30.86973       1.180821  -3.365860      1.506134  
1 1 1 -6  14 42 o 48.32505 0.7332533 23.25814       0.7067469 21.22343       0.9621639 25.64236       1.041530  -4.567562      1.466507  
1 1 1 -6  14 43 o 123.6973 1.360460  153.6758       3.365232  154.8101       4.806282  152.5850       4.713392  0.8886185      2.720919  
1 1 1 -6  14 44 o 27.01451 0.7735628 7.115320       0.4119815 9.001301       0.6418759 5.794078       0.5372464 5.928295       1.547126  
1 1 1 -6  14 45 o 29.72251 0.7450750 8.811640       0.4410563 9.237522       0.6602943 8.468526       0.5926670 1.288338       1.490150  
1 1 1 -6  14 46 o 59.02128 0.8091887 34.44542       0.9485297 30.92699       1.255172  39.12994       1.448311  -6.931507      1.618377  
1 1 1 -6  14 47 o 18.49935 0.9851554 3.441029       0.3610086 3.380121       0.5472211 3.487964       0.4803725 -0.2995720     1.970311  
1 1 1 -6  14 48 f 65.78744 0.8637952 43.32661       1.135548  41.32685       1.568656  45.52829       1.645945  -3.184250      1.727590  
1 1 1 -6  14 49 o 52.57904 0.7891003 27.72920       0.8292939 27.08490       1.184462  28.34874       1.161473  -1.204361      1.578201  
1 1 1 -6  14 50 o 34.60272 0.7734336 11.88706       0.5322490 13.11610       0.8067150 10.93964       0.7082821 3.133766       1.546867  
1 1 1 -6  14 51 o 44.78976 0.7667166 20.09488       0.6857758 20.46679       1.001585  19.76665       0.9409222 0.7740669      1.533433  
1 1 1 -6  14 52 o 47.52202 0.7940325 22.63811       0.7538266 21.17027       1.051789  24.18847       1.080952  -3.171509      1.588065  
1 1 1 -6  14 53 f 46.03931 1.378566  21.58495       1.251998  25.67495       1.772087  17.50871       1.769101  8.868038       2.757131  
1 1 1 -6  14 54 o 26.46281 1.747154  7.062274       0.9246925 7.062274       0.9246925 ?              ?         ?              ?         
1 1 1 -6  14 55 o 25.72328 1.205563  6.653311       0.6149551 5.532978       0.8440273 7.920997       0.8978188 -4.628178      2.411127  
1 1 1 -6  14 56 o 33.51559 1.114704  11.33336       0.7453225 10.36862       1.050199  12.31236       1.057934  -2.897861      2.229408  
1 1 1 -6  14 57 o 46.79704 1.123474  21.99861       1.049193  23.37132       1.547836  20.83173       1.427076  2.681549       2.246948  
1 1 1 -6  14 58 o 34.15318 1.776601  12.02747       1.196552  14.28070       1.691683  9.771581       1.692678  6.601753       3.553201  
1 1 1 -6  14 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  15 1  o 145.1124 1.545187  210.2380       4.476812  203.6524       6.119672  217.8198       6.566228  -4.876633      3.090374  
1 1 1 -6  15 2  o 406.7052 4.233080  1659.841       34.42995  1670.488       49.03518  1649.487       48.35458  2.561768       8.466160  
1 1 1 -6  15 3  o 53.90932 1.012458  29.02208       1.090492  28.10015       1.501094  30.05235       1.586853  -1.810028      2.024916  
1 1 1 -6  15 4  o 200.9255 2.440516  404.1428       9.806352  400.8235       13.75702  407.5716       13.98228  -1.675369      4.881032  
1 1 1 -6  15 5  f 299.1720 3.120430  896.7906       18.67071  898.9866       26.47690  894.6184       26.33242  0.7268066      6.240860  
1 1 1 -6  15 6  o 317.4111 3.305643  1007.247       20.93974  1046.437       30.84702  973.7552       28.51661  11.39307       6.611286  
1 1 1 -6  15 7  o 77.90700 0.8944722 60.63811       1.392608  59.10671       1.923492  62.32512       2.018859  -2.064903      1.788944  
1 1 1 -6  15 8  o 174.3690 1.839831  303.3903       6.400699  316.3595       9.453955  292.4140       8.697228  6.855652       3.679663  
1 1 1 -6  15 9  o 92.84435 1.033325  85.90144       1.913308  82.23811       2.590474  90.29860       2.838099  -4.338852      2.066650  
1 1 1 -6  15 10 o 483.9531 5.062499  2344.325       48.76244  2247.057       65.28501  2467.063       73.33601  -22.40240      10.12500  
1 1 1 -6  15 11 o 252.7443 2.640416  638.7938       13.32860  621.5726       18.28474  658.3201       19.47001  -7.244461      5.280832  
1 1 1 -6  15 12 o 100.7326 1.116549  101.4925       2.249257  101.9708       3.205541  101.0285       3.156876  0.4672775      2.233098  
1 1 1 -6  15 13 o 193.9778 2.040161  374.4880       7.876987  356.2555       10.54024  397.5519       11.85475  -10.62361      4.080323  
1 1 1 -6  15 14 o 148.4541 1.580137  220.4844       4.691159  218.8363       6.583069  222.1848       6.686746  -1.126511      3.160273  
1 1 1 -6  15 15 o 73.43263 0.8677940 53.66251       1.269990  50.89677       1.710883  57.05671       1.895319  -4.192986      1.735588  
1 1 1 -6  15 16 o 69.02724 0.8260674 47.48999       1.137657  49.95627       1.681659  45.40877       1.544816  3.293037       1.652135  
1 1 1 -6  15 17 o 202.2507 2.124986  408.7946       8.582520  422.0076       12.55849  397.2158       11.75623  6.113831       4.249972  
1 1 1 -6  15 18 o 186.1659 1.961460  346.8611       7.302062  343.5479       10.22191  350.3137       10.43473  -1.813324      3.922920  
1 1 1 -6  15 19 o 227.3533 2.383499  517.0704       10.82712  530.8093       15.73882  504.7273       14.91785  5.717392       4.766997  
1 1 1 -6  15 20 o 142.7244 1.524948  203.5966       4.348791  198.6418       5.994661  209.1010       6.318333  -3.659134      3.049895  
1 1 1 -6  15 21 f 193.4189 2.036086  374.5704       7.876244  373.3191       11.10343  375.8377       11.17429  -0.6495514     4.072172  
1 1 1 -6  15 22 o 87.57256 0.9953478 75.73235       1.727068  69.97601       2.263042  83.76090       2.672623  -7.865990      1.990696  
1 1 1 -6  15 23 o 44.59340 0.8224995 19.61456       0.6818345 20.63283       1.228541  19.16131       0.8196568 1.645988       1.644999  
1 1 1 -6  15 24 o 144.1358 2.178078  207.5999       6.265402  215.6793       9.227848  200.6899       8.534004  5.179962       4.356156  
1 1 1 -6  15 25 o 85.56737 1.381094  72.96776       2.355119  76.78767       3.512584  69.84813       3.174327  4.048042       2.762188  
1 1 1 -6  15 26 o 163.7940 2.144403  265.8709       6.515243  261.0346       7.827308  276.7800       11.75580  -4.672729      4.288807  
1 1 1 -6  15 27 o 62.80075 0.7866803 39.42206       0.9877031 38.32192       1.374222  40.59768       1.420577  -1.811241      1.573361  
1 1 1 -6  15 28 o 101.2340 1.124690  102.5128       2.276239  104.1669       3.274611  100.9663       3.166296  1.578186       2.249380  
1 1 1 -6  15 29 f 71.87299 0.8647850 50.65669       1.226769  45.71265       1.586041  58.01950       1.935510  -8.554466      1.729570  
1 1 1 -6  15 30 o 150.1510 1.605576  225.8529       4.820909  223.5497       6.750149  228.2507       6.887516  -1.559494      3.211152  
1 1 1 -6  15 31 f 106.1997 1.174639  112.7668       2.492426  109.6559       3.432890  116.2347       3.624558  -3.090363      2.349278  
1 1 1 -6  15 32 o 106.5278 1.178548  113.1553       2.503035  107.9840       3.381198  119.4253       3.723102  -5.356461      2.357095  
1 1 1 -6  15 33 f 54.01479 0.7338459 29.15067       0.7921970 27.88228       1.096949  30.53330       1.145285  -2.452641      1.467692  
1 1 1 -6  15 34 o 43.19221 0.6783080 18.66179       0.5855089 17.67997       0.8206983 19.67952       0.8355712 -2.314259      1.356616  
1 1 1 -6  15 35 o 73.20109 0.8815364 53.57191       1.289694  51.85199       1.783821  55.45559       1.866814  -2.458038      1.763073  
1 1 1 -6  15 36 o 53.41244 0.7399269 28.33182       0.7873464 25.89950       1.059469  31.33212       1.176684  -5.081161      1.479854  
1 1 1 -6  15 37 o 90.03387 1.032568  81.18497       1.859230  80.24141       2.614433  82.15035       2.644521  -1.058449      2.065137  
1 1 1 -6  15 38 o 38.89874 0.9613317 14.68322       0.7361051 18.26366       1.169541  12.33440       0.9472653 7.609039       1.922663  
1 1 1 -6  15 39 o 6.851022 1.826036  0.3429894      0.3363656 0.3513558      0.4328983 0.3302422      0.5343460 -0.3539147     3.652071  
1 1 1 -6  15 40 o 93.31222 1.512859  87.15994       2.815919  91.53736       4.169499  83.48896       3.818264  4.275391       3.025718  
1 1 1 -6  15 41 o 70.71967 1.233724  50.15850       1.744504  49.18158       2.432911  51.19233       2.502775  -1.414864      2.467448  
1 1 1 -6  15 42 o 9.719039 1.930159  0.9830655      0.3936200 0.8221405      0.5721477 1.127676       0.5423706 -1.310715      3.860318  
1 1 1 -6  15 43 o 47.06747 1.021501  22.20507       0.9612083 21.35017       1.343728  23.10092       1.375538  -1.856674      2.043001  
1 1 1 -6  15 44 o 49.21416 1.052951  24.30111       1.036336  24.18423       1.471771  24.41606       1.459507  -0.2368889     2.105902  
1 1 1 -6  15 45 o 52.67168 0.9391509 27.22048       0.9189819 29.43317       1.667636  26.25550       1.101290  2.957287       1.878302  
1 1 1 -6  15 46 o 35.48855 0.7469783 12.58325       0.5290684 13.14583       0.7794168 12.10252       0.7204849 1.464520       1.493957  
1 1 1 -6  15 47 o 35.36705 0.7550126 12.42514       0.5304829 13.46010       0.8086541 11.64329       0.7028549 2.557846       1.510025  
1 1 1 -6  15 48 f 16.52539 1.107961  2.728537       0.3644187 2.895117       0.5485488 2.596941       0.4875576 0.8928413      2.215922  
1 1 1 -6  15 49 o 44.76231 0.7638028 20.06528       0.6822858 20.37187       1.001949  19.80020       0.9316745 0.6307106      1.527606  
1 1 1 -6  15 50 o 23.58727 0.9428831 5.691457       0.4356433 4.513196       0.6299552 6.771425       0.6031069 -4.790905      1.885766  
1 1 1 -6  15 51 o 36.12133 1.172675  13.14448       0.8401338 13.07451       1.270747  13.19881       1.119778  -0.2030792     2.345350  
1 1 1 -6  15 52 o 63.71762 1.339282  42.66180       1.464544  44.44818       1.703859  37.60857       2.865699  5.629326       2.678563  
1 1 1 -6  15 53 o 39.45569 1.008221  15.64201       0.7902034 15.55012       1.056338  15.75877       1.190726  -0.2381935     2.016442  
1 1 1 -6  15 54 o 44.48414 1.089620  19.92562       0.9693247 19.62438       1.371493  20.22627       1.370172  -0.6768188     2.179240  
1 1 1 -6  15 55 o 18.98363 1.398950  3.694530       0.5235744 3.282507       0.7803897 4.031811       0.7060682 -1.996367      2.797901  
1 1 1 -6  15 56 o 66.43665 1.263447  44.52417       1.676956  43.09464       2.306812  46.12632       2.442117  -2.242241      2.526895  
1 1 1 -6  15 57 o 78.44080 1.397144  62.38541       2.191746  62.58750       3.117634  62.18792       3.081871  0.2420883      2.794287  
1 1 1 -6  15 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  16 1  o 110.5966 1.206423  121.3940       2.652036  130.7321       4.029471  114.2577       3.522530  7.443108       2.412845  
1 1 1 -6  16 2  f 276.0600 2.879496  763.2669       15.89378  753.6492       22.16446  773.4473       22.80356  -3.571167      5.758993  
1 1 1 -6  16 3  o 309.7593 3.228122  961.7502       19.99856  959.4310       28.19822  964.0975       28.36701  -0.7489014     6.456244  
1 1 1 -6  16 4  f 143.2096 1.529757  205.0907       4.379429  208.4899       6.310351  201.9322       6.082810  2.286758       3.059513  
1 1 1 -6  16 5  o 167.5296 1.771883  278.4079       5.893305  300.4101       9.011632  261.9668       7.789982  11.45644       3.543766  
1 1 1 -6  16 6  o 181.3712 1.912046  329.2169       6.935693  328.1885       9.775563  330.2594       9.841875  -0.5698853     3.824093  
1 1 1 -6  16 7  o 82.65337 0.9403824 68.05623       1.549965  71.77380       2.301202  64.96925       2.096969  4.114807       1.880765  
1 1 1 -6  16 8  o 94.66724 1.053031  88.86668       1.980433  83.37332       2.624175  96.13533       3.018568  -6.737221      2.106062  
1 1 1 -6  16 9  o 121.2108 1.309494  146.7032       3.169717  142.3028       4.341811  151.7248       4.638165  -3.883606      2.618987  
1 1 1 -6  16 10 o 388.5197 4.044111  1514.993       31.42433  1514.281       44.42896  1515.706       44.45247  -0.1826172     8.088223  
1 1 1 -6  16 11 o 82.63393 0.9460282 68.07282       1.559635  71.38461       2.305636  65.27906       2.117649  3.692886       1.892056  
1 1 1 -6  16 12 o 65.90318 0.8035350 43.20179       1.055105  40.86177       1.419021  46.09505       1.577876  -3.969353      1.607070  
1 1 1 -6  16 13 o 302.9585 3.158586  920.0787       19.13791  923.7335       27.18340  916.4868       26.94831  1.189484       6.317173  
1 1 1 -6  16 14 o 367.4321 3.826908  1355.092       28.12256  1355.536       39.78858  1354.648       39.75407  0.1196594      7.653815  
1 1 1 -6  16 15 o 146.8474 1.567406  215.7794       4.603383  215.8766       6.517015  215.6825       6.503340  0.6587219E-01  3.134812  
1 1 1 -6  16 16 o 179.7375 1.897470  323.1255       6.816638  329.8844       9.851985  316.9181       9.441479  3.599609       3.794940  
1 1 1 -6  16 17 o 78.50342 0.9124790 61.09007       1.423271  66.34389       2.168437  57.11362       1.886502  5.876320       1.824958  
1 1 1 -6  16 18 o 105.5667 1.165214  110.9318       2.450728  117.6163       3.664695  105.5240       3.296221  5.722809       2.330427  
1 1 1 -6  16 19 o 177.0404 2.029116  310.8528       7.019750  327.4912       11.32364  300.4676       8.946175  7.579422       4.058232  
1 1 1 -6  16 20 f 83.96027 1.352883  70.40504       2.269084  67.97330       3.117692  73.14398       3.308766  -3.076286      2.705766  
1 1 1 -6  16 21 o 121.8831 1.873982  143.2398       4.429994  171.0913       7.440559  127.9453       5.513778  17.65575       3.747964  
1 1 1 -6  16 22 o 173.0866 2.591004  300.1721       8.965048  294.8734       12.44830  305.8817       12.92195  -3.163559      5.182008  
1 1 1 -6  16 23 o 229.4418 2.932319  532.1840       12.85745  541.7004       16.05683  515.1777       21.46473  6.015305       5.864638  
1 1 1 -6  16 24 f 84.63123 0.9710573 71.50320       1.640814  74.13454       2.406744  69.21803       2.242840  2.902115       1.942115  
1 1 1 -6  16 25 o 97.22137 1.087286  94.53771       2.113378  95.89391       3.037882  93.26579       2.941961  1.349785       2.174571  
1 1 1 -6  16 26 o 55.81454 0.7376132 31.01343       0.8207607 32.98413       1.221753  29.39255       1.108025  3.215702       1.475226  
1 1 1 -6  16 27 o 107.6176 1.186095  115.7503       2.549698  119.1647       3.718848  112.7216       3.502503  2.987617       2.372190  
1 1 1 -6  16 28 o 110.4787 1.215408  122.1757       2.685402  121.2000       3.775032  123.1752       3.820848  -0.8925171     2.430816  
1 1 1 -6  16 29 o 145.0327 1.555330  210.5439       4.507332  215.8482       6.544428  205.7573       6.216842  3.463715       3.110660  
1 1 1 -6  16 30 o 95.01581 1.069790  89.62840       2.020568  84.00867       2.684123  96.97782       3.069530  -6.811081      2.139581  
1 1 1 -6  16 31 o 164.0556 1.747334  269.8407       5.731236  265.7356       7.980360  274.2130       8.236073  -2.568008      3.494668  
1 1 1 -6  16 32 o 103.3202 1.151096  106.8749       2.378043  105.1372       3.318296  108.7097       3.409686  -1.724510      2.302193  
1 1 1 -6  16 33 o 48.21906 0.7013056 23.26216       0.6761676 22.56610       0.9505089 23.97527       0.9620870 -1.460850      1.402611  
1 1 1 -6  16 34 o 136.9605 1.479584  188.1144       4.052439  189.5513       5.782527  186.7277       5.680854  1.023621       2.959168  
1 1 1 -6  16 35 o 124.9958 1.362852  156.5933       3.405565  159.0465       4.901977  154.3046       4.734768  1.884972       2.725704  
1 1 1 -6  16 36 o 92.98128 1.059635  86.57983       1.970183  85.24439       2.755046  87.97755       2.818559  -1.466049      2.119270  
1 1 1 -6  16 37 o 18.87179 1.195773  3.623033       0.4398434 2.675680       0.6184704 4.592529       0.6256568 -5.078106      2.391547  
1 1 1 -6  16 38 o 37.90383 0.6926783 14.29673       0.5229824 15.28912       0.7836432 13.49978       0.7022504 2.356453       1.385357  
1 1 1 -6  16 39 o 103.2898 1.249398  107.3054       2.571021  110.8568       3.521075  103.2494       3.762906  3.703812       2.498796  
1 1 1 -6  16 40 o 32.04815 0.7213519 10.31078       0.4577453 8.508556       0.6378123 12.22497       0.6573278 -5.797058      1.442704  
1 1 1 -6  16 41 o 90.88481 1.049986  82.79866       1.908242  81.32746       2.669604  84.33571       2.728690  -1.649574      2.099972  
1 1 1 -6  16 42 f 48.58229 0.7420067 23.61279       0.7201261 22.05252       1.001985  25.27974       1.035675  -3.318932      1.484013  
1 1 1 -6  16 43 o 41.07780 0.7211109 16.91179       0.5915436 16.66580       0.8569029 17.13573       0.8176172 -0.5749855     1.442222  
1 1 1 -6  16 44 o 31.23179 0.7481488 9.801752       0.4657742 9.275620       0.6747506 10.28065       0.6437505 -1.611603      1.496298  
1 1 1 -6  16 45 o 41.64101 0.8067514 17.43577       0.6694351 18.26770       0.9229823 16.51237       0.9723977 2.112598       1.613503  
1 1 1 -6  16 46 o 8.817141 1.838935  0.7998238      0.3608039 1.060214       0.4886251 0.4876207      0.5350347 2.447412       3.677870  
1 1 1 -6  16 47 o 24.20367 1.146154  5.893639       0.5536153 5.419500       0.7795049 6.376206       0.7864012 -1.975279      2.292307  
1 1 1 -6  16 48 o 52.28841 1.539197  0.000000       0.000000  ?              ?         27.47472       1.609644  ?              ?         
1 1 1 -6  16 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  16 50 o 61.57930 1.191852  38.18348       1.467799  38.61780       2.087478  37.75876       2.064278  0.6926537      2.383703  
1 1 1 -6  16 51 o 54.36868 1.124985  29.73296       1.222983  30.47050       1.752482  29.03279       1.707512  1.313206       2.249971  
1 1 1 -6  16 52 o 57.60518 1.062026  33.45990       1.201036  32.99498       1.880932  33.77994       1.560609  -0.7462006     2.124053  
1 1 1 -6  16 53 o 52.42755 1.120935  27.62402       1.173774  28.81358       1.715297  26.57646       1.609669  2.109634       2.241869  
1 1 1 -6  16 54 o 26.72556 1.170090  7.191261       0.6247585 7.484439       0.9096380 6.929467       0.8595700 1.025211       2.340179  
1 1 1 -6  16 55 o 54.40811 1.154964  29.64984       1.252352  27.24662       1.688741  32.58657       1.866802  -4.860470      2.309928  
1 1 1 -6  16 56 o 44.26444 1.099602  19.75960       0.9731786 19.83393       1.394448  19.68903       1.358808  0.1538544      2.199204  
1 1 1 -6  16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  17 1  o 35.24422 0.6146335 12.33747       0.4315490 11.48033       0.5797920 13.40221       0.6461993 -2.726162      1.229267  
1 1 1 -6  17 2  o 280.7615 2.930310  789.5278       16.44748  802.2513       23.67229  777.6530       22.86901  4.360535       5.860620  
1 1 1 -6  17 3  o 84.70518 0.9664484 71.74729       1.636988  70.79379       2.289512  72.74457       2.341463  -1.151093      1.932897  
1 1 1 -6  17 4  o 411.3375 4.283355  1699.507       35.23809  1698.704       49.81456  1700.310       49.85381  -0.1937561     8.566710  
1 1 1 -6  17 5  o 136.5194 1.463099  186.4653       3.994720  185.5032       5.624055  187.4450       5.675063  -0.7105103     2.926199  
1 1 1 -6  17 6  o 355.2740 3.700460  1265.986       26.28497  1284.040       37.75254  1248.999       36.61852  4.894958       7.400920  
1 1 1 -6  17 7  o 161.8618 1.715909  262.0120       5.551739  267.1333       8.012511  257.2829       7.699528  3.038101       3.431818  
1 1 1 -6  17 8  o 152.8327 1.625621  233.0870       4.957488  224.8032       6.741868  242.8393       7.315047  -5.892288      3.251242  
1 1 1 -6  17 9  o 146.0754 1.559777  213.4852       4.556382  211.7778       6.386367  215.2553       6.502600  -1.188675      3.119554  
1 1 1 -6  17 10 o 407.8452 4.248357  1671.143       34.65327  1673.998       49.09834  1668.308       48.91643  0.6905823      8.496714  
1 1 1 -6  17 11 o 71.68155 0.8566666 50.51641       1.213920  57.10950       1.900994  45.97680       1.577417  7.762810       1.713333  
1 1 1 -6  17 12 o 442.7782 4.614802  1971.798       40.86646  1968.261       57.68208  1975.364       57.90639  -0.7922363     9.229605  
1 1 1 -6  17 13 o 76.28584 0.8960124 57.07529       1.347697  64.86475       2.134614  51.91237       1.737855  8.485847       1.792025  
1 1 1 -6  17 14 o 127.4486 1.374434  162.5174       3.503332  163.0391       4.972072  162.0030       4.937033  0.4059753      2.748869  
1 1 1 -6  17 15 f 228.5204 2.395206  523.1098       10.94690  521.5219       15.43068  524.7186       15.53233  -0.6968384     4.790411  
1 1 1 -6  17 16 o 144.1198 1.883027  208.2479       5.132134  206.9685       8.822307  208.9023       6.309584  -0.7222290     3.766054  
1 1 1 -6  17 17 o 207.6725 3.088137  432.6052       12.82642  432.5027       18.13988  432.7077       18.13871  -0.4940796E-01 6.176273  
1 1 1 -6  17 18 o 243.8833 3.617712  596.4462       17.62053  614.8719       25.75805  580.2396       24.15728  7.030792       7.235424  
1 1 1 -6  17 19 o 141.3029 2.139836  199.7655       6.041280  204.9744       8.781212  195.0844       8.324399  3.486938       4.279672  
1 1 1 -6  17 20 o 221.3731 2.325257  490.2685       10.27958  506.1858       15.03784  476.3062       14.08404  6.716980       4.650513  
1 1 1 -6  17 21 o 181.4883 1.918503  329.6782       6.959606  323.4362       9.645443  336.4572       10.05187  -3.575104      3.837006  
1 1 1 -6  17 22 o 34.65810 0.6677589 11.04598       0.4437757 16.49032       0.7614490 8.245554       0.5461098 11.89208       1.335518  
1 1 1 -6  17 23 o 79.86021 0.9302617 63.58798       1.482415  60.76377       2.015018  66.91982       2.188630  -3.851357      1.860523  
1 1 1 -6  17 24 o 24.95537 0.6930565 6.270890       0.3415072 5.083253       0.4796381 7.492050       0.4863602 -4.826113      1.386113  
1 1 1 -6  17 25 o 78.26283 0.9154166 60.99956       1.427722  64.51813       2.130819  58.13296       1.923298  4.074959       1.830833  
1 1 1 -6  17 26 o 68.73366 0.8444843 47.26077       1.160801  46.73375       1.629405  47.80389       1.654116  -0.7779465     1.688969  
1 1 1 -6  17 27 o 129.6850 1.402514  168.0755       3.630922  174.3904       5.333856  162.6222       4.956664  4.521790       2.805027  
1 1 1 -6  17 28 o 31.08980 0.6683541 9.451413       0.4108176 11.33110       0.6408436 8.140028       0.5352722 5.129717       1.336708  
1 1 1 -6  17 29 o 115.0205 1.260717  132.1172       2.893689  127.0956       3.936652  138.0197       4.267990  -4.734421      2.521435  
1 1 1 -6  17 30 o 103.7348 1.152537  107.7310       2.390451  109.1550       3.430813  106.3873       3.332544  1.329605       2.305073  
1 1 1 -6  17 31 o 74.73711 0.8906657 55.87702       1.330849  54.60140       1.852396  57.23789       1.913292  -1.761444      1.781331  
1 1 1 -6  17 32 o 43.07753 0.6791379 18.52719       0.5843414 17.29443       0.8068947 19.88669       0.8473564 -3.007557      1.358276  
1 1 1 -6  17 33 o 71.69479 0.8691564 51.40327       1.245112  52.61971       1.808007  50.30593       1.717207  1.609688       1.738313  
1 1 1 -6  17 34 o 43.96272 0.6887856 19.06486       0.6003187 21.44660       0.9269823 17.34444       0.7878446 4.660358       1.377571  
1 1 1 -6  17 35 o 60.84165 0.7948546 37.03255       0.9669160 35.93995       1.349375  38.18564       1.386221  -1.843872      1.589709  
1 1 1 -6  17 36 o 87.40819 1.429617  76.30967       2.490497  72.46694       3.356296  81.01812       3.715172  -4.858910      2.859235  
1 1 1 -6  17 37 o 96.06111 1.098707  92.40665       2.109526  90.00440       2.920491  95.02734       3.050388  -2.604416      2.197414  
1 1 1 -6  17 38 o 78.70943 0.9400866 62.05072       1.479366  62.56606       2.123790  61.56498       2.061862  0.6316910      1.880173  
1 1 1 -6  17 39 o 70.95604 0.8818352 50.40205       1.250969  48.97755       1.741281  51.92150       1.798375  -2.070343      1.763670  
1 1 1 -6  17 40 o 48.26659 0.7382414 23.24207       0.7110558 21.25459       0.9750749 25.49934       1.039150  -4.392963      1.476483  
1 1 1 -6  17 41 o 26.68681 0.7728146 7.166457       0.4084803 5.968540       0.5731437 8.403050       0.5823226 -4.560551      1.545629  
1 1 1 -6  17 42 o 46.71795 0.7402530 21.83740       0.6908134 20.35903       0.9611295 23.41733       0.9935945 -3.270603      1.480506  
1 1 1 -6  17 43 o 32.06501 0.7602502 10.33291       0.4827164 8.544071       0.6736007 12.22136       0.6921035 -5.732521      1.520500  
1 1 1 -6  17 44 o 63.26793 0.8410458 40.09798       1.062839  40.69365       1.547837  39.56656       1.461997  0.8817329      1.682092  
1 1 1 -6  17 45 f 21.11003 0.8984925 4.508556       0.3754024 4.140780       0.5585289 4.811603       0.5070019 -1.595041      1.796985  
1 1 1 -6  17 46 o 37.72626 1.123550  14.39636       0.8419791 13.17934       1.229159  15.47228       1.155709  -3.050304      2.247100  
1 1 1 -6  17 47 o 64.13934 1.244382  41.29602       1.594033  38.56218       2.195670  44.34273       2.317900  -4.484001      2.488765  
1 1 1 -6  17 48 o 50.71397 0.7966074 25.70231       0.8053107 26.84796       1.197933  24.75765       1.087781  2.046997       1.593215  
1 1 1 -6  17 49 o 40.33849 0.7759486 16.35939       0.6244999 15.47026       0.8976829 17.19328       0.8693507 -2.139557      1.551897  
1 1 1 -6  17 50 o 52.55535 0.8168341 27.43072       0.8517728 29.89517       1.307610  25.61426       1.122619  4.045940       1.633668  
1 1 1 -6  17 51 o 55.73175 0.8902386 31.14929       0.9878314 30.74209       1.331274  31.64816       1.473544  -0.7886887     1.780477  
1 1 1 -6  17 52 o 45.75694 1.012340  21.20481       0.9192845 23.75369       1.284025  18.52446       1.316720  5.720745       2.024680  
1 1 1 -6  17 53 f 48.05191 1.110877  23.27139       1.067528  23.06941       1.513443  23.47140       1.506011  -0.4201241     2.221753  
1 1 1 -6  17 54 f 40.28907 1.090628  16.35897       0.8785344 15.89083       1.242417  16.82713       1.242454  -1.161964      2.181257  
1 1 1 -6  17 55 o 43.48282 1.103647  19.05718       0.9594811 19.68006       1.376315  18.46824       1.338306  1.383030       2.207295  
1 1 1 -6  17 56 o 20.17550 1.984801  0.000000       0.000000  ?              ?         4.125849       0.8008873 ?              ?         
1 1 1 -6  18 1  o 100.9918 1.370960  102.7363       2.631352  99.80776       4.451215  104.3094       3.262442  -2.244423      2.741920  
1 1 1 -6  18 2  o 164.2100 1.740497  269.8362       5.715470  272.2207       8.158179  267.5377       8.009657  1.423431       3.480995  
1 1 1 -6  18 3  o 92.59209 1.039157  85.29082       1.916687  90.83318       2.870148  80.82966       2.575016  5.398941       2.078314  
1 1 1 -6  18 4  o 197.6103 2.079626  390.9651       8.219111  390.9474       11.62234  390.9828       11.62482  -0.8911133E-02 4.159252  
1 1 1 -6  18 5  o 147.9756 1.577555  218.7894       4.662902  212.9449       6.404387  225.3825       6.802261  -4.196411      3.155109  
1 1 1 -6  18 6  o 214.6216 2.252260  461.0246       9.662941  453.5515       13.41734  469.0771       13.92788  -3.605545      4.504519  
1 1 1 -6  18 7  o 143.7646 1.537330  205.6101       4.398987  195.2693       5.884725  218.7069       6.622666  -8.139923      3.074661  
1 1 1 -6  18 8  o 134.9985 1.449785  181.4461       3.898276  192.0094       5.839504  172.9543       5.235765  7.048553       2.899570  
1 1 1 -6  18 9  o 260.6651 2.725113  680.4871       14.19858  667.9973       19.68196  694.0406       20.50282  -4.972168      5.450226  
1 1 1 -6  18 10 o 144.3488 1.546045  208.0731       4.455462  215.6098       6.538858  201.5414       6.087297  4.865631       3.092090  
1 1 1 -6  18 11 f 91.56784 1.033332  83.84950       1.891928  82.83047       2.640502  84.92456       2.712114  -1.142662      2.066664  
1 1 1 -6  18 12 o 120.6277 1.419717  144.1252       3.346658  152.3724       5.401808  138.9877       4.263464  5.530014       2.839434  
1 1 1 -6  18 13 o 69.44419 1.088863  48.00607       1.477364  49.33747       2.371556  47.16172       1.888583  1.560562       2.177726  
1 1 1 -6  18 14 o 324.4261 4.803318  1060.292       31.15747  1046.750       43.44563  1074.633       44.70814  -4.225586      9.606635  
1 1 1 -6  18 15 o 114.2955 1.760892  130.5740       4.020071  134.5970       5.866401  127.0122       5.519886  3.310493       3.521784  
1 1 1 -6  18 16 o 178.0869 2.311846  316.5785       7.722383  314.3276       9.394212  321.2693       13.56148  -1.822479      4.623692  
1 1 1 -6  18 17 o 47.40565 0.6947395 22.20807       0.6544307 24.97479       0.9967292 20.11156       0.8676485 5.128071       1.389479  
1 1 1 -6  18 18 o 160.6150 1.708729  258.2622       5.488228  255.9163       7.687143  260.7012       7.838112  -1.485519      3.417457  
1 1 1 -6  18 19 o 180.5687 1.910126  325.9347       6.886534  315.9073       9.416646  337.4632       10.09696  -5.947800      3.820253  
1 1 1 -6  18 20 o 235.2395 2.468450  554.9822       11.61275  551.4684       16.31007  558.5950       16.53813  -1.505020      4.936899  
1 1 1 -6  18 21 o 81.51718 0.9441382 65.98730       1.531348  61.86928       2.043380  71.26320       2.312881  -5.756950      1.888276  
1 1 1 -6  18 22 o 78.85005 0.9239298 61.82710       1.450672  66.14436       2.178721  58.38874       1.944345  4.913231       1.847860  
1 1 1 -6  18 23 o 103.2921 1.144802  106.6481       2.362750  103.7898       3.256806  109.8240       3.433020  -2.916222      2.289603  
1 1 1 -6  18 24 f 61.20875 0.7782834 37.48252       0.9527307 37.17316       1.347376  37.79187       1.347353  -0.5054131     1.556567  
1 1 1 -6  18 25 o 96.34309 1.081138  92.63897       2.078796  88.96175       2.830316  96.94622       3.063199  -4.136284      2.162277  
1 1 1 -6  18 26 o 89.62090 1.019827  80.31028       1.826354  82.35729       2.650352  78.45929       2.520264  2.170380       2.039653  
1 1 1 -6  18 27 o 73.64339 0.8792507 54.21908       1.294243  52.72192       1.792706  55.84887       1.870438  -2.120697      1.758501  
1 1 1 -6  18 28 o 68.83790 0.8379996 47.15870       1.149171  50.31064       1.720548  44.62017       1.544082  4.127563       1.675999  
1 1 1 -6  18 29 o 43.91444 0.6729297 19.29761       0.5908899 19.19452       0.8435072 19.39695       0.8279977 -0.2309418     1.345859  
1 1 1 -6  18 30 o 23.60291 0.7129465 5.501886       0.3341211 6.496222       0.5042269 4.723496       0.4461267 3.753418       1.425893  
1 1 1 -6  18 31 o 46.20111 0.6923069 21.31369       0.6386165 22.11088       0.9366586 20.62120       0.8729804 1.610008       1.384614  
1 1 1 -6  18 32 f 30.03004 0.6699679 8.940449       0.3999134 9.768115       0.6080478 8.309494       0.5308964 2.425880       1.339936  
1 1 1 -6  18 33 f 104.7811 1.168708  110.0078       2.448968  108.7919       3.436383  111.2626       3.490990  -1.175430      2.337417  
1 1 1 -6  18 34 f 33.62165 0.6771685 11.31019       0.4543169 11.35268       0.6658909 11.27318       0.6214147 0.1164284      1.354337  
1 1 1 -6  18 35 o 62.07619 1.133047  38.61193       1.406363  37.73357       1.963271  39.53769       2.015555  -1.449093      2.266094  
1 1 1 -6  18 36 f 36.76183 0.9951837 13.58511       0.7292413 12.76045       1.053327  14.34424       1.010605  -2.157093      1.990367  
1 1 1 -6  18 37 o 31.72216 0.7173892 10.10186       0.4514453 8.517735       0.6311662 11.76117       0.6459714 -5.111435      1.434778  
1 1 1 -6  18 38 o 79.94226 0.9541324 64.04760       1.525478  63.54985       2.156915  64.54575       2.157788  -0.6228104     1.908265  
1 1 1 -6  18 39 o 35.24180 0.7098429 12.32007       0.4962261 10.29128       0.6700655 14.78406       0.7384468 -6.369717      1.419686  
1 1 1 -6  18 40 o 37.80686 0.7122260 14.28898       0.5374288 14.69787       0.7900948 13.93688       0.7331716 1.002216       1.424452  
1 1 1 -6  18 41 o 47.19458 0.7432088 22.32574       0.7008633 21.89920       1.007168  22.72621       0.9759113 -0.8786736     1.486418  
1 1 1 -6  18 42 o 41.93736 0.7336310 17.53344       0.6131721 15.61485       0.8380805 19.74347       0.8994844 -4.917095      1.467262  
1 1 1 -6  18 43 o 30.18157 0.8422521 9.234480       0.4920402 8.709911       0.7915919 9.564767       0.6281247 -1.433456      1.684504  
1 1 1 -6  18 44 o 9.338314 2.092056  0.8267862      0.4928627 0.7759003E-01  0.7611273 1.367777       0.6467771 -4.093714      4.184113  
1 1 1 -6  18 45 o 39.07747 0.9243526 15.56016       0.6929145 16.22664       0.8755572 14.44312       1.133508  2.314995       1.848705  
1 1 1 -6  18 46 o 26.78433 0.8166668 7.148774       0.4347300 7.579989       0.6597501 6.817869       0.5779423 1.412905       1.633334  
1 1 1 -6  18 47 o 10.44435 1.698981  1.172933       0.3446171 0.9888822      0.5381359 1.300886       0.4486913 -1.459046      3.397963  
1 1 1 -6  18 48 o 32.54428 0.8064138 10.68692       0.5204412 9.103766       0.7367186 12.26403       0.7353134 -4.855526      1.612828  
1 1 1 -6  18 49 o 11.13793 1.647518  1.374230       0.3623369 0.7247415      0.5424687 1.897409       0.4868716 -5.165051      3.295036  
1 1 1 -6  18 50 o 17.32657 1.198919  3.031959       0.4145635 2.868566       0.5945048 3.186614       0.5783899 -0.9215107     2.397838  
1 1 1 -6  18 51 o 64.18879 1.123375  41.59421       1.419634  42.05960       1.857210  40.94007       2.201826  0.9496956      2.246751  
1 1 1 -6  18 52 o 64.98279 1.239575  42.61941       1.610619  41.82786       2.247254  43.45545       2.309542  -1.235069      2.479150  
1 1 1 -6  18 53 o 22.59583 1.289649  5.102389       0.5794913 5.863656       0.8723957 4.501255       0.7752309 2.986399       2.579298  
1 1 1 -6  18 54 o 10.85078 2.220503  1.242604       0.5091302 1.335372       0.7377572 1.158251       0.7035014 0.6993380      4.441005  
1 1 1 -6  18 55 o 9.158232 2.169459  0.7857457      0.5390846 -0.3738074     0.9620305 1.316515       0.6508730 -3.901359      4.338917  
1 1 1 -6  19 1  o 135.0430 1.451605  182.4207       3.919481  185.2875       5.624345  179.7140       5.465054  2.060974       2.903210  
1 1 1 -6  19 2  o 242.6511 3.132926  586.0159       14.14663  578.1600       17.06210  603.2949       25.30425  -4.889984      6.265851  
1 1 1 -6  19 3  o 32.51088 0.9867043 10.57973       0.6408579 11.17420       0.9074310 9.988183       0.9051930 1.824011       1.973409  
1 1 1 -6  19 4  f 115.2065 1.789554  132.8236       4.122307  131.2440       5.752558  134.4909       5.910286  -1.405960      3.579107  
1 1 1 -6  19 5  f 90.87633 1.472391  82.62977       2.675890  83.94092       3.811528  81.35546       3.757607  1.421608       2.944781  
1 1 1 -6  19 6  o 220.2459 2.819963  490.3043       11.87609  472.5816       19.78020  500.2943       14.85073  -6.449814      5.639926  
1 1 1 -6  19 7  f 223.8377 2.348535  501.9273       10.51342  499.5663       14.79138  504.3379       14.94626  -1.061600      4.697071  
1 1 1 -6  19 8  o 158.6627 1.687863  251.9542       5.355509  253.7907       7.636729  250.1770       7.512465  1.136307       3.375725  
1 1 1 -6  19 9  o 264.0225 3.385408  699.6631       16.84726  700.3667       29.19847  699.3119       20.62718  -0.1495972     6.770815  
1 1 1 -6  19 10 o 188.6974 2.814106  357.0741       10.62028  357.0297       15.03021  357.1184       15.00850  -0.2427673E-01 5.628212  
1 1 1 -6  19 11 o 137.4503 2.086739  186.5999       5.672662  172.7570       7.389629  206.4618       8.851542  -12.22041      4.173478  
1 1 1 -6  19 12 o 51.73466 0.9118702 26.89169       0.9334741 27.65080       1.243151  25.91035       1.413448  1.684250       1.823740  
1 1 1 -6  19 13 o 90.52616 1.102992  82.09967       1.992982  88.12066       2.819017  76.08310       2.817988  6.648651       2.205983  
1 1 1 -6  19 14 o 291.4968 3.047446  853.1132       17.76543  848.2347       24.96721  858.1161       25.28401  -1.679932      6.094893  
1 1 1 -6  19 15 o 175.7066 1.861070  307.4918       6.509449  292.5659       8.715472  326.3225       9.789320  -9.573898      3.722141  
1 1 1 -6  19 16 o 57.63079 0.7589920 33.07623       0.8723456 31.37438       1.180609  35.12265       1.294625  -3.250530      1.517984  
1 1 1 -6  19 17 o 191.2014 2.018260  365.1396       7.696701  351.2390       10.43219  381.7445       11.40190  -7.942352      4.036520  
1 1 1 -6  19 18 o 61.42926 0.7824829 37.64285       0.9596865 39.52164       1.408787  36.01609       1.310897  2.851810       1.564966  
1 1 1 -6  19 19 o 40.26654 0.6690669 16.14093       0.5375226 15.00733       0.7308694 17.47649       0.7933068 -3.065102      1.338134  
1 1 1 -6  19 20 o 68.04990 0.8327864 45.67384       1.122733  41.82641       1.469914  51.06178       1.739476  -6.780518      1.665573  
1 1 1 -6  19 21 o 120.0829 1.309525  144.3170       3.144017  146.5488       4.515906  142.2177       4.379839  1.798897       2.619051  
1 1 1 -6  19 22 o 80.99948 0.9429729 65.03724       1.516801  70.71405       2.317781  60.78496       2.006001  6.120834       1.885946  
1 1 1 -6  19 23 f 82.24695 0.9527361 67.70004       1.567187  67.48438       2.216199  67.91575       2.216475  -0.2622299     1.905472  
1 1 1 -6  19 24 o 90.07768 1.025224  80.43853       1.833200  87.43423       2.807052  75.23597       2.420712  6.757744       2.050447  
1 1 1 -6  19 25 o 68.21395 0.8361788 46.28362       1.136564  43.43628       1.529025  49.79951       1.699081  -4.659210      1.672358  
1 1 1 -6  19 26 o 73.29457 0.8771135 53.72076       1.285126  52.29859       1.783710  55.25584       1.853165  -2.014969      1.754227  
1 1 1 -6  19 27 o 104.3842 1.160861  108.9940       2.420796  112.1567       3.525171  106.1716       3.330190  2.856880       2.321723  
1 1 1 -6  19 28 o 20.64934 0.7514246 4.247806       0.3093636 4.504756       0.4601310 4.035836       0.4179210 1.133986       1.502849  
1 1 1 -6  19 29 f 83.12814 0.9681523 68.96066       1.605502  72.30236       2.375327  66.14989       2.178468  3.691338       1.936305  
1 1 1 -6  19 30 o 68.97723 0.8461864 47.62964       1.167332  47.36446       1.652140  47.89399       1.649576  -0.3839569     1.692373  
1 1 1 -6  19 31 o 9.430836 1.396871  0.9369563      0.2575860 0.7210824      0.3863097 1.109767       0.3456374 -2.185562      2.793742  
1 1 1 -6  19 32 o 44.24956 0.6923409 19.57858       0.6120366 19.94008       0.8899741 19.25420       0.8430331 0.7731323      1.384682  
1 1 1 -6  19 33 o 73.68395 0.8935387 54.35466       1.316554  53.24158       1.841535  55.51834       1.882932  -1.542511      1.787077  
1 1 1 -6  19 34 o 82.47260 1.371422  67.79961       2.250511  72.79939       3.397240  63.88961       3.004272  5.363800       2.742844  
1 1 1 -6  19 35 o 55.95724 1.094091  31.33631       1.223141  29.43298       1.693979  33.40952       1.767958  -3.547268      2.188181  
1 1 1 -6  19 36 o 40.98078 0.7084455 16.80662       0.5801067 15.81604       0.8114585 17.84208       0.8296329 -2.470882      1.416891  
1 1 1 -6  19 37 o 44.95310 0.7180110 20.18370       0.6440835 20.94623       0.9495085 19.53378       0.8765973 1.566402       1.436022  
1 1 1 -6  19 38 o 38.68716 0.7126948 14.52260       0.5422840 17.77708       0.8677784 12.43738       0.6946158 6.888889       1.425390  
1 1 1 -6  19 39 o 25.74170 0.7691247 6.576411       0.3937386 7.219453       0.5968669 6.080979       0.5239017 2.205446       1.538249  
1 1 1 -6  19 40 o 84.45090 1.000962  71.43137       1.689110  68.91943       2.328879  74.21937       2.453515  -3.123978      2.001925  
1 1 1 -6  19 41 o 44.43828 1.064362  19.82349       0.9417377 19.82738       1.399499  19.82028       1.273094  -0.8190155E-02 2.128725  
1 1 1 -6  19 42 o 10.86165 2.066869  1.146787       0.4563167 1.703850       0.7476953 0.8161516      0.5760323 3.675113       4.133738  
1 1 1 -6  19 43 o 48.35528 0.7640966 23.43810       0.7387499 22.75624       1.043451  24.12337       1.046054  -1.413364      1.528193  
1 1 1 -6  19 44 o 53.74119 0.7913274 28.96402       0.8502535 28.28745       1.207469  29.62943       1.197473  -1.249695      1.582655  
1 1 1 -6  19 45 o 43.93872 0.7715008 19.28008       0.6753648 17.02944       0.9268997 21.82719       0.9860636 -5.452862      1.543002  
1 1 1 -6  19 46 o 38.99144 0.7698146 15.20368       0.5982209 15.72279       0.8898356 14.77558       0.8080849 1.204231       1.539629  
1 1 1 -6  19 47 o 41.05717 0.7766801 16.89006       0.6356577 15.07255       0.8827388 18.84754       0.9161007 -4.592678      1.553360  
1 1 1 -6  19 48 o 24.53985 0.9024563 5.980507       0.4400906 6.644567       0.6703349 5.477454       0.5834380 2.363945       1.804913  
1 1 1 -6  19 49 o 14.80050 1.275541  2.154243       0.3727520 2.651677       0.5822389 1.808766       0.4852248 2.823531       2.551082  
1 1 1 -6  19 50 o 31.76862 0.8849428 9.952370       0.5545739 12.62232       0.8441008 7.924613       0.7356156 7.374237       1.769886  
1 1 1 -6  19 51 o 22.18497 1.197278  4.937830       0.5297014 4.521817       0.7190813 5.431399       0.7832469 -2.032875      2.394556  
1 1 1 -6  19 52 o 45.69297 1.105486  20.87872       1.005980  22.89749       1.509580  19.26606       1.349227  3.933441       2.210971  
1 1 1 -6  19 53 o 22.89496 1.331211  5.347125       0.6045641 4.683744       0.8694478 5.968124       0.8412164 -2.814213      2.662422  
1 1 1 -6  19 54 o 11.98740 2.520251  1.327619       0.5942675 2.094780       1.153320  1.050313       0.6934036 3.830375       5.040502  
1 1 1 -6  20 1  o 214.0533 2.250721  458.2932       9.619254  444.9805       13.15612  473.5850       14.10026  -6.649811      4.501441  
1 1 1 -6  20 2  o 31.74737 0.6485661 10.06281       0.4109395 11.02494       0.5938549 9.178792       0.5692386 2.907324       1.297132  
1 1 1 -6  20 3  o 94.41728 1.060458  88.27093       1.986523  82.39928       2.617537  96.24658       3.050678  -7.326195      2.120916  
1 1 1 -6  20 4  o 162.7680 1.729105  265.2419       5.628327  263.3891       7.895436  267.1562       8.025470  -1.153839      3.458210  
1 1 1 -6  20 5  o 76.28522 1.105910  55.69531       1.524013  64.12025       2.945230  52.61460       1.780987  7.521942       2.211821  
1 1 1 -6  20 6  o 185.9825 3.924940  347.0487       14.59941  347.0487       14.59941  ?              ?         ?              ?         
1 1 1 -6  20 7  o 204.8548 6.121892  423.1107       25.08199  423.1107       25.08199  ?              ?         ?              ?         
1 1 1 -6  20 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  20 9  o 140.6277 3.028546  198.1720       8.517946  198.1720       8.517946  ?              ?         ?              ?         
1 1 1 -6  20 10 o 108.7655 1.703846  117.9063       3.692522  112.4868       4.970136  124.5830       5.516530  -5.545517      3.407693  
1 1 1 -6  20 11 o 67.86728 1.020578  46.37133       1.312678  45.16956       2.235131  47.00409       1.621843  -1.361839      2.041155  
1 1 1 -6  20 12 o 101.6749 1.130554  103.3470       2.297317  101.0600       3.176804  105.8541       3.326130  -2.354568      2.261108  
1 1 1 -6  20 13 f 60.13852 0.7704124 36.10135       0.9253482 34.79028       1.268551  37.59232       1.352787  -2.328442      1.540825  
1 1 1 -6  20 14 o 61.88036 0.7885485 37.06138       0.9560977 44.64092       1.555035  32.45461       1.212319  9.841209       1.577097  
1 1 1 -6  20 15 o 109.4658 1.205983  119.9297       2.640203  120.4916       3.750995  119.3778       3.716861  0.5078583      2.411966  
1 1 1 -6  20 16 o 53.44702 0.7265735 28.27390       0.7717789 31.29104       1.174822  25.98329       1.023648  4.962933       1.453147  
1 1 1 -6  20 17 o 33.61707 0.6617742 11.29720       0.4445868 10.67945       0.6208988 11.94717       0.6368873 -1.885273      1.323548  
1 1 1 -6  20 18 f 62.32961 0.7892822 38.55566       0.9789765 35.89132       1.306884  41.96236       1.477777  -4.866604      1.578564  
1 1 1 -6  20 19 o 98.08850 1.101075  95.60773       2.148078  102.7446       3.251236  90.07896       2.861610  6.444000       2.202150  
1 1 1 -6  20 20 o 68.29534 0.8397145 46.64703       1.146580  45.77221       1.596223  47.57955       1.648036  -1.321823      1.679429  
1 1 1 -6  20 21 o 100.5894 1.123994  100.4722       2.246905  108.4462       3.417607  94.40161       2.981964  6.964928       2.247988  
1 1 1 -6  20 22 o 29.54303 0.6729492 8.718044       0.3971542 8.149579       0.5507369 9.333961       0.5732618 -2.003983      1.345898  
1 1 1 -6  20 23 o 132.0500 1.429096  172.9308       3.742305  188.2843       5.759816  161.7144       4.922996  10.01616       2.858192  
1 1 1 -6  20 24 o 118.2816 1.294130  140.0030       3.058178  143.9325       4.449852  136.4858       4.209947  3.134804       2.588261  
1 1 1 -6  20 25 o 14.31181 0.9608381 2.022974       0.2711390 2.566848       0.4078738 1.592323       0.3629436 3.402701       1.921676  
1 1 1 -6  20 26 o 93.82365 1.068165  87.63055       1.995307  82.92977       2.672420  93.55191       2.999378  -5.644478      2.136330  
1 1 1 -6  20 27 o 16.55427 0.8766353 2.754790       0.2881340 2.638254       0.4290427 2.850529       0.3888777 -0.6428776     1.753271  
1 1 1 -6  20 28 o 133.2052 1.444330  177.9285       3.846886  175.5300       5.368336  180.4599       5.515275  -1.839325      2.888659  
1 1 1 -6  20 29 o 74.56801 0.8962836 55.66895       1.336634  55.09602       1.881543  56.25265       1.899153  -0.7746964     1.792567  
1 1 1 -6  20 30 o 68.97581 0.8571280 46.69786       1.167997  41.93019       1.514229  53.70159       1.835280  -8.517052      1.714256  
1 1 1 -6  20 31 o 77.76839 0.9267052 60.30540       1.436214  63.63693       2.142864  57.58829       1.935201  3.876358       1.853410  
1 1 1 -6  20 32 f 69.62175 0.8622217 48.46641       1.199495  46.76316       1.653756  50.35714       1.742398  -2.575699      1.724443  
1 1 1 -6  20 33 o 38.92628 0.8781479 13.82963       0.5986015 18.03094       1.245952  12.56888       0.6825331 6.980583       1.756296  
1 1 1 -6  20 34 o 101.6620 1.148731  103.4985       2.332504  106.6637       3.405996  100.7031       3.200868  2.912651       2.297461  
1 1 1 -6  20 35 o 28.56463 0.7382277 8.216571       0.4188702 7.185496       0.5967581 9.217879       0.5880811 -3.558064      1.476455  
1 1 1 -6  20 36 o 61.15353 0.8088518 37.34301       0.9866680 39.04520       1.460475  35.91383       1.338243  2.550877       1.617704  
1 1 1 -6  20 37 o 68.05434 0.8638756 46.40051       1.175608  45.30465       1.646711  47.53958       1.678877  -1.639137      1.727751  
1 1 1 -6  20 38 o 25.98183 0.9881194 6.618937       0.4536714 7.095331       0.8943272 6.453870       0.5264333 1.196205       1.976239  
1 1 1 -6  20 39 o 68.02739 1.244030  46.20382       1.686827  42.55790       2.276500  50.64274       2.511903  -5.908348      2.488059  
1 1 1 -6  20 40 o 21.54708 1.053493  4.510680       0.4414910 4.064623       0.5525075 5.298562       0.7342999 -2.839352      2.106987  
1 1 1 -6  20 41 o 32.66816 0.7401335 10.66139       0.4820736 11.09159       0.7157076 10.30414       0.6522171 1.198936       1.480267  
1 1 1 -6  20 42 o 12.92700 1.275985  1.675409       0.3268063 1.726343       0.5006660 1.637597       0.4313824 0.3311071      2.551969  
1 1 1 -6  20 43 o 67.49435 0.8771016 45.69515       1.183430  45.83727       1.701137  45.56187       1.647401  0.1971436      1.754203  
1 1 1 -6  20 44 f 68.58713 0.8930046 47.17873       1.223977  47.78571       1.771698  46.62454       1.692919  0.8357925      1.786009  
1 1 1 -6  20 45 o 71.43367 0.9176882 51.21752       1.310783  49.75379       1.836126  52.73877       1.871845  -2.083733      1.835376  
1 1 1 -6  20 46 o 30.83557 0.8213278 9.613354       0.5015523 8.134027       0.7135724 11.05779       0.7051075 -4.742111      1.642656  
1 1 1 -6  20 47 o 45.34570 0.7885180 20.55256       0.7123771 21.45283       1.063421  19.81966       0.9594840 1.785892       1.577036  
1 1 1 -6  20 48 o 26.96920 0.8652226 7.172812       0.4621670 8.305798       0.7166976 6.366285       0.6046901 3.576641       1.730445  
1 1 1 -6  20 49 o 37.48806 0.8066828 14.02652       0.6021789 14.94583       0.9040958 13.29349       0.8073172 2.187546       1.613366  
1 1 1 -6  20 50 o 34.10598 0.9925115 11.90184       0.6608760 12.80002       0.8668607 10.65527       1.021240  3.177685       1.985023  
1 1 1 -6  20 51 o 39.14616 1.085531  15.39539       0.8486034 16.36589       1.241298  14.54382       1.162761  2.307705       2.171063  
1 1 1 -6  20 52 o 41.58380 1.107002  17.44376       0.9204373 17.39081       1.315327  17.49458       1.288478  -0.1322403     2.214004  
1 1 1 -6  20 53 o 45.52707 2.736853  0.000000       0.000000  ?              ?         21.26410       2.492018  ?              ?         
1 1 1 -6  21 1  o 149.5513 1.938456  226.1820       5.565923  216.5641       9.169605  231.7930       7.003768  -5.171677      3.876913  
1 1 1 -6  21 2  o 223.9520 3.331114  503.6731       14.89731  520.0576       21.80145  489.3220       20.40388  6.772583       6.662227  
1 1 1 -6  21 3  o 124.6978 1.907195  155.6750       4.753829  152.1322       6.590595  159.5174       6.863569  -2.951241      3.814389  
1 1 1 -6  21 4  o 308.9952 4.593959  965.3669       28.37860  980.6413       40.83568  951.1001       39.46614  4.658417       9.187918  
1 1 1 -6  21 5  o 123.6224 1.630006  154.1376       3.858756  156.9252       4.830608  149.2224       6.414384  3.165489       3.260012  
1 1 1 -6  21 6  o 203.2857 2.141502  414.3193       8.706638  415.5459       12.34849  413.1067       12.27790  0.5969391      4.283005  
1 1 1 -6  21 7  o 88.15427 1.004210  77.72315       1.769966  79.08638       2.541647  76.43959       2.466275  1.499672       2.008419  
1 1 1 -6  21 8  o 146.8509 1.572042  215.7543       4.613133  211.0664       6.367799  220.9319       6.692194  -3.348251      3.144084  
1 1 1 -6  21 9  o 118.1631 1.289106  139.4579       3.041152  144.7826       4.462973  134.8424       4.155179  4.197487       2.578213  
1 1 1 -6  21 10 o 96.40628 1.081822  92.62614       2.079421  97.71951       3.091571  88.41819       2.810039  4.817207       2.163644  
1 1 1 -6  21 11 o 121.5506 1.323121  147.8933       3.216189  149.3002       4.588655  146.5347       4.509143  1.135162       2.646241  
1 1 1 -6  21 12 o 121.2124 1.622403  147.1922       3.702373  147.2056       4.527995  147.1653       6.431111  0.8924103E-01  3.244806  
1 1 1 -6  21 13 o 109.3271 1.714315  119.6091       3.744153  116.5382       5.149720  123.0529       5.453384  -2.966370      3.428630  
1 1 1 -6  21 14 o 72.65353 1.249910  52.84875       1.816074  52.94722       2.554224  52.74809       2.582646  0.1379852      2.499819  
1 1 1 -6  21 15 o 31.52230 0.9507439 9.947408       0.5990617 10.06803       0.8364813 9.820400       0.8583442 0.3933773      1.901488  
1 1 1 -6  21 16 o 119.2513 1.850368  142.5918       4.412289  144.5389       6.317316  140.7373       6.165298  1.585320       3.700736  
1 1 1 -6  21 17 o 65.84952 0.9993384 43.93588       1.258365  41.52707       2.084721  45.31658       1.578327  -2.893600      1.998677  
1 1 1 -6  21 18 o 43.45126 0.6838048 18.64900       0.5904193 16.64551       0.7840470 21.27325       0.8973292 -5.322601      1.367610  
1 1 1 -6  21 19 o 48.24082 0.7002523 23.21498       0.6745093 22.10620       0.9222419 24.49024       0.9890599 -2.469360      1.400505  
1 1 1 -6  21 20 o 51.67329 0.7178663 26.71041       0.7418030 27.07363       1.059051  26.36056       1.039362  0.6894493      1.435733  
1 1 1 -6  21 21 o 29.46175 0.6692629 8.680518       0.3942458 8.514702       0.5497495 8.856086       0.5656874 -0.5789204     1.338526  
1 1 1 -6  21 22 f 79.63986 0.9373340 63.27389       1.489215  60.55481       2.020828  66.50557       2.203094  -3.728432      1.874668  
1 1 1 -6  21 23 o 115.2077 1.265540  132.9821       2.915595  134.2225       4.164982  131.7901       4.082794  1.050896       2.531081  
1 1 1 -6  21 24 o 42.57427 0.6757350 18.13852       0.5751327 18.08014       0.8248065 18.19377       0.8023784 -0.1341743     1.351470  
1 1 1 -6  21 25 f 89.92638 1.027315  80.89697       1.845842  82.99873       2.682478  79.00682       2.543863  2.212296       2.054630  
1 1 1 -6  21 26 o 58.61720 0.7719737 34.24596       0.9029521 32.24083       1.227536  36.61005       1.332895  -3.722553      1.543947  
1 1 1 -6  21 27 o 122.6059 1.342050  149.5098       3.269551  140.5856       4.336874  161.2606       4.976531  -8.384048      2.684099  
1 1 1 -6  21 28 o 51.61164 0.7304143 26.66424       0.7538738 26.38290       1.070266  26.94128       1.062059  -0.5413017     1.460829  
1 1 1 -6  21 29 o 98.50333 1.112141  96.82584       2.184045  92.18355       2.949584  102.4605       3.249576  -5.194427      2.224283  
1 1 1 -6  21 30 o 37.03342 0.6856074 13.73702       0.5073641 13.45262       0.7282379 14.00527       0.7072641 -0.7471657     1.371215  
1 1 1 -6  21 31 o 10.04757 1.412914  0.9579930      0.2757930 1.594056       0.4491939 0.5731488      0.3494026 5.115558       2.825828  
1 1 1 -6  21 32 o 76.61152 0.9927738 58.96239       1.515698  60.72365       2.076582  56.95419       2.217381  2.471268       1.985548  
1 1 1 -6  21 33 o 50.42426 0.7386231 25.18507       0.7395246 27.71659       1.131682  23.29837       0.9769807 4.371307       1.477246  
1 1 1 -6  21 34 f 34.61636 0.7075709 12.00127       0.4881210 10.69614       0.6815331 13.37585       0.6994293 -3.869419      1.415142  
1 1 1 -6  21 35 o 19.16190 1.000077  3.582955       0.3676571 4.028481       0.6293567 3.352144       0.4529891 1.746733       2.000154  
1 1 1 -6  21 36 o 58.27561 1.135977  34.10143       1.323613  33.43977       1.881388  34.74988       1.862497  -1.126339      2.271954  
1 1 1 -6  21 37 f 30.71495 1.093239  9.527728       0.6664897 8.900596       0.9851020 10.05713       0.9050906 -1.892538      2.186478  
1 1 1 -6  21 38 o 33.67138 0.7434223 11.38389       0.4992481 10.45172       0.7083172 12.30419       0.7037915 -2.751213      1.486845  
1 1 1 -6  21 39 o 37.05351 0.7378045 13.70065       0.5450994 14.45747       0.8100911 13.07445       0.7368742 1.859188       1.475609  
1 1 1 -6  21 40 o 17.38869 1.033009  2.976665       0.3548880 3.718683       0.5427416 2.422447       0.4690574 3.716941       2.066018  
1 1 1 -6  21 41 o 63.92522 0.8498023 40.98137       1.086098  41.04966       1.557231  40.91668       1.515567  0.9897614E-01  1.699605  
1 1 1 -6  21 42 f 30.49273 0.7900110 9.355287       0.4800673 8.669112       0.6900964 9.998734       0.6682652 -2.182749      1.580022  
1 1 1 -6  21 43 o 78.57175 0.9683468 61.91267       1.520604  59.68141       2.102945  64.35762       2.201346  -2.960503      1.936694  
1 1 1 -6  21 44 o 34.98470 0.7886341 12.32015       0.5497256 11.60178       0.7973047 12.97110       0.7589698 -1.962315      1.577268  
1 1 1 -6  21 45 o 34.54987 0.7859660 11.90649       0.5408392 12.68880       0.8109128 11.27968       0.7258598 2.027428       1.571932  
1 1 1 -6  21 46 o 81.02521 0.9989895 65.99992       1.618787  65.31874       2.290966  66.67915       2.287660  -0.8401031     1.997979  
1 1 1 -6  21 47 o 24.60127 0.9320280 6.179537       0.4510003 5.324749       0.6698403 6.888366       0.6099762 -3.188889      1.864056  
1 1 1 -6  21 48 o 27.34433 0.8809024 7.426609       0.4788247 8.348275       0.7272964 6.721497       0.6361421 2.957140       1.761805  
1 1 1 -6  21 49 o 12.10798 1.701436  1.499388       0.4029593 2.009110       0.6037302 1.089882       0.5411355 3.931590       3.402872  
1 1 1 -6  21 50 o 15.01447 1.852262  2.455571       0.5223648 1.608661       0.7633585 3.201387       0.7163509 -5.518725      3.704523  
1 1 1 -6  21 51 o 29.40683 1.165544  8.729987       0.6845981 8.760979       0.9947079 8.702095       0.9436451 0.8509636E-01  2.331088  
1 1 1 -6  21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  22 1  o 43.36928 0.7855839 18.88738       0.6560082 19.07974       0.8252507 18.55717       1.081247  0.6076889      1.571168  
1 1 1 -6  22 2  o 136.8262 1.474791  187.1521       4.029632  193.7868       5.898510  181.3458       5.518020  4.531647       2.949582  
1 1 1 -6  22 3  o 185.1219 1.959462  343.1393       7.245475  353.7067       10.57289  333.7825       9.948853  5.349472       3.918923  
1 1 1 -6  22 4  o 147.0307 1.574612  216.5780       4.630326  216.8056       6.551643  216.3508       6.544902  0.1543579      3.149225  
1 1 1 -6  22 5  o 41.78656 0.6649438 17.09758       0.5493478 15.04384       0.7143010 20.07098       0.8594788 -6.012691      1.329888  
1 1 1 -6  22 6  f 61.50982 0.7823646 37.84163       0.9623258 38.55413       1.374654  37.15686       1.347617  1.135239       1.564729  
1 1 1 -6  22 7  o 115.9423 1.269382  133.5889       2.925820  126.0035       3.889825  143.4718       4.440016  -7.513863      2.538764  
1 1 1 -6  22 8  o 108.3308 1.196662  117.4693       2.592377  118.7999       3.702262  116.1893       3.631125  1.202499       2.393324  
1 1 1 -6  22 9  o 58.81448 0.7617442 34.25632       0.8902892 31.64583       1.180219  37.70310       1.356153  -5.145515      1.523488  
1 1 1 -6  22 10 o 107.6961 1.191505  115.4673       2.555153  122.9272       3.836523  109.5206       3.425391  6.209320       2.383010  
1 1 1 -6  22 11 o 154.9155 1.655375  240.5711       5.128753  241.5355       7.281871  239.6217       7.224770  0.6147156      3.310749  
1 1 1 -6  22 12 o 22.96870 0.7269221 5.281154       0.3330451 4.793499       0.4669244 5.786202       0.4751779 -2.160795      1.453844  
1 1 1 -6  22 13 o 80.12479 0.9383901 64.25199       1.503709  64.11245       2.116396  64.39426       2.136884  -0.1752167     1.876780  
1 1 1 -6  22 14 f 38.42204 0.6586238 14.54053       0.5021871 12.69603       0.6644386 16.99799       0.7669378 -5.595993      1.317248  
1 1 1 -6  22 15 o 55.96676 0.7445683 31.33524       0.8333407 31.00715       1.168607  31.67470       1.188693  -0.5958595     1.489137  
1 1 1 -6  22 16 o 122.5590 1.336324  150.0605       3.268127  144.4767       4.445005  156.6306       4.821588  -4.939476      2.672647  
1 1 1 -6  22 17 f 99.66901 1.116416  99.41171       2.224228  97.45362       3.084577  101.5326       3.210252  -2.040527      2.232832  
1 1 1 -6  22 18 o 92.81728 1.293819  86.67082       2.271805  87.39601       2.797928  85.26765       3.891986  1.207527       2.587639  
1 1 1 -6  22 19 o 69.37540 1.212749  48.02024       1.677102  45.92675       2.263477  50.56858       2.497283  -3.332680      2.425498  
1 1 1 -6  22 20 f 36.18128 0.9469552 13.08327       0.6839328 12.75789       0.9341295 13.45922       1.004112  -0.9661255     1.893910  
1 1 1 -6  22 21 f 47.77755 1.004587  22.44566       0.9510137 26.22833       1.469570  19.72010       1.247438  6.800205       2.009174  
1 1 1 -6  22 22 o 42.18431 0.9631590 17.81476       0.8120836 17.70810       1.126916  17.92998       1.171288  -0.2608109     1.926318  
1 1 1 -6  22 23 o 73.43286 1.257563  53.35170       1.830875  59.31219       2.825357  49.03682       2.403899  6.968246       2.515126  
1 1 1 -6  22 24 o 70.57677 1.048990  50.59259       1.419458  47.35561       2.330969  52.50042       1.789524  -3.675369      2.097981  
1 1 1 -6  22 25 o 49.11738 0.7792285 24.05609       0.7487938 24.59011       1.195849  23.71167       0.9603690 0.8837814      1.558457  
1 1 1 -6  22 26 o 39.28519 0.6782044 15.40523       0.5316835 16.02679       0.7838257 14.87550       0.7236074 1.462742       1.356409  
1 1 1 -6  22 27 o 39.33247 0.6815535 15.15013       0.5297022 17.75386       0.8312944 13.37028       0.6873028 5.565685       1.363107  
1 1 1 -6  22 28 f 128.9605 1.407688  166.2203       3.618137  158.6033       4.878090  175.5350       5.394419  -6.513741      2.815377  
1 1 1 -6  22 29 o 24.66879 0.7552527 6.107724       0.3713912 5.873702       0.5414445 6.315664       0.5103835 -0.8975086     1.510505  
1 1 1 -6  22 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  22 31 o 109.4741 1.221446  120.0821       2.670619  123.8485       3.901898  116.7628       3.663057  3.211258       2.442892  
1 1 1 -6  22 32 o 67.70183 0.8563204 45.89531       1.159129  44.59962       1.616259  47.26746       1.663262  -1.966545      1.712641  
1 1 1 -6  22 33 o 71.80404 1.264047  51.02820       1.793824  56.68867       2.808401  47.12735       2.331378  6.596146       2.528094  
1 1 1 -6  22 34 o 70.99170 1.259780  50.45375       1.785360  47.47201       2.437625  53.90422       2.622230  -4.505714      2.519561  
1 1 1 -6  22 35 o 14.10864 1.200839  1.903875       0.3287164 2.725224       0.5285639 1.385853       0.4197669 4.732161       2.401678  
1 1 1 -6  22 36 o 74.50153 0.9177185 55.65777       1.366989  55.86967       1.959912  55.45704       1.907578  0.2711792      1.835437  
1 1 1 -6  22 37 o 20.66721 0.8955439 4.165002       0.3649942 5.170273       0.5734921 3.480578       0.4732043 4.076338       1.791088  
1 1 1 -6  22 38 o 48.20743 0.7589866 23.20506       0.7297208 24.39130       1.082088  22.21566       0.9882467 2.246910       1.517973  
1 1 1 -6  22 39 o 37.13875 0.7471716 13.64569       0.5506286 15.25050       0.8459678 12.46604       0.7252982 3.736176       1.494343  
1 1 1 -6  22 40 o 81.28386 0.9867404 66.33614       1.604062  65.57104       2.264757  67.10629       2.272235  -0.9432907     1.973481  
1 1 1 -6  22 41 o 12.43444 1.436543  1.562117       0.3437451 2.001078       0.5174351 1.215357       0.4598943 3.320807       2.873085  
1 1 1 -6  22 42 o 21.61549 0.9230747 4.686100       0.3960739 4.734887       0.5991995 4.648242       0.5278301 0.1892300      1.846149  
1 1 1 -6  22 43 o 61.00469 0.8496419 37.33984       1.035928  37.60583       1.495373  37.09439       1.436450  0.4103546      1.699284  
1 1 1 -6  22 44 o 41.61246 0.7858648 17.36893       0.6526996 15.91898       0.9129827 18.88468       0.9334718 -3.560581      1.571730  
1 1 1 -6  22 45 o 13.58278 1.518321  2.013129       0.3790841 1.358487       0.5724609 2.524388       0.5058997 -4.500351      3.036641  
1 1 1 -6  22 46 o 11.19576 1.696778  1.285624       0.3666792 1.628627       0.5686086 1.041435       0.4797635 2.539429       3.393555  
1 1 1 -6  22 47 o 24.98774 0.9210900 6.297473       0.4572855 6.086122       0.6805384 6.471457       0.6174530 -0.7840042     1.842180  
1 1 1 -6  22 48 o 36.26291 0.8739256 13.23138       0.6327172 14.07312       0.8923793 12.38046       0.8972348 2.334831       1.747851  
1 1 1 -6  22 49 o 25.99350 1.217732  6.785361       0.6311852 7.502286       0.9323260 6.178741       0.8576090 2.524122       2.435463  
1 1 1 -6  22 50 o 15.74627 1.861026  2.532177       0.5420246 4.538847       0.8425301 1.115237       0.7079836 10.82259       3.722053  
1 1 1 -6  22 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  23 1  o 152.9046 1.635531  234.3373       5.000524  237.2890       7.161959  231.5297       6.984979  1.873444       3.271062  
1 1 1 -6  23 2  o 148.0364 1.586268  219.6715       4.696410  220.6193       6.667946  218.7385       6.615815  0.6324005      3.172536  
1 1 1 -6  23 3  o 149.1656 1.598296  222.8249       4.764353  228.3877       6.907156  217.7760       6.580344  3.539261       3.196592  
1 1 1 -6  23 4  o 59.62529 0.7691431 35.04997       0.9093205 39.63715       1.402945  31.72686       1.194099  6.627857       1.538286  
1 1 1 -6  23 5  o 95.80640 1.077242  91.89104       2.064101  91.79199       2.910304  91.99129       2.927936  -0.1033630     2.154483  
1 1 1 -6  23 6  o 102.1088 1.136808  104.3201       2.320220  102.3722       3.216325  106.4338       3.350349  -1.983597      2.273616  
1 1 1 -6  23 7  o 74.69969 0.8899013 55.84211       1.329451  55.65896       1.870343  56.02914       1.890069  -0.2471619     1.779803  
1 1 1 -6  23 8  o 147.8555 1.584553  219.0463       4.683581  215.5278       6.507618  222.8273       6.745980  -2.455078      3.169105  
1 1 1 -6  23 9  f 65.22888 0.8121580 42.56949       1.059426  43.16198       1.510635  41.99603       1.486174  0.8930206      1.624316  
1 1 1 -6  23 10 o 64.74123 0.8077447 41.90192       1.045291  43.18075       1.509779  40.72455       1.448646  1.895061       1.615489  
1 1 1 -6  23 11 o 47.72065 0.6961992 22.38249       0.6583211 26.01732       1.017705  19.76719       0.8632569 6.544365       1.392398  
1 1 1 -6  23 12 o 92.95894 1.053581  86.52744       1.958789  86.67673       2.774546  86.37910       2.765767  0.1596985      2.107162  
1 1 1 -6  23 13 o 73.73198 0.8836250 54.39560       1.302721  55.36281       1.867322  53.47849       1.818307  1.275917       1.767250  
1 1 1 -6  23 14 o 141.8421 1.527561  201.7734       4.333226  200.6274       6.091167  202.9477       6.165727  -0.8128052     3.055121  
1 1 1 -6  23 15 o 71.40285 0.8669631 51.02048       1.237865  51.68476       1.770497  50.38524       1.731368  0.9084473      1.733926  
1 1 1 -6  23 16 f 101.2103 1.132831  102.5027       2.291238  100.1289       3.164679  105.1178       3.321615  -2.456367      2.265661  
1 1 1 -6  23 17 f 111.9510 1.235167  125.5770       2.765330  126.5536       3.941753  124.6306       3.880500  0.8552551      2.470334  
1 1 1 -6  23 18 o 65.76495 0.8233877 43.28964       1.082968  43.02393       1.524252  43.56050       1.538949  -0.4073334     1.646775  
1 1 1 -6  23 19 o 51.56986 0.7289633 26.59986       0.7515966 26.02872       1.046400  27.20855       1.080244  -1.142635      1.457927  
1 1 1 -6  23 20 o 106.5257 1.185894  113.6584       2.525552  111.6596       3.511940  115.7992       3.634555  -1.935196      2.371788  
1 1 1 -6  23 21 o 56.82378 0.7658592 32.31387       0.8703057 32.70829       1.240747  31.93186       1.221085  0.6823616      1.531718  
1 1 1 -6  23 22 o 104.8019 1.171692  110.0603       2.455570  111.1730       3.508129  108.9915       3.438325  1.036102       2.343385  
1 1 1 -6  23 23 o 33.41291 0.6975356 11.15014       0.4656333 10.54481       0.6422451 11.82090       0.6760658 -1.908123      1.395071  
1 1 1 -6  23 24 o 40.80032 0.6910214 16.58015       0.5623689 17.81928       0.8332437 15.54352       0.7621256 2.785549       1.382043  
1 1 1 -6  23 25 o 59.45486 0.7850227 35.35452       0.9326962 36.27406       1.352633  34.52099       1.287816  1.470715       1.570045  
1 1 1 -6  23 26 o 31.32140 0.8491422 9.209040       0.4931576 8.302517       0.5835167 11.47522       0.9225946 -5.044294      1.698284  
1 1 1 -6  23 27 o 61.47755 1.155072  37.71718       1.416186  35.45350       1.916514  40.43991       2.101874  -4.038849      2.310144  
1 1 1 -6  23 28 o 51.91021 1.065830  27.01028       1.106290  26.65244       1.544478  27.38733       1.585385  -0.7042160     2.131659  
1 1 1 -6  23 29 f 70.54144 1.245062  49.88686       1.755207  48.32395       2.424495  51.60806       2.544312  -2.314682      2.490123  
1 1 1 -6  23 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  23 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  23 32 o 31.49314 1.026321  9.879337       0.6431790 11.39434       0.9510322 8.602349       0.8731369 4.424240       2.052642  
1 1 1 -6  23 33 o 41.23435 1.012693  16.97614       0.8330665 15.56199       1.135762  18.62295       1.225632  -3.701431      2.025386  
1 1 1 -6  23 34 o 34.28223 0.8735378 11.30686       0.5482872 12.96485       1.034267  10.65879       0.6466247 3.323116       1.747076  
1 1 1 -6  23 35 o 36.64071 0.8662763 13.29373       0.5930879 13.93118       1.057177  13.00096       0.7164556 1.232117       1.732553  
1 1 1 -6  23 36 o 36.18716 0.7378858 13.04150       0.5308023 13.82624       0.8045990 12.43679       0.7063051 1.910038       1.475772  
1 1 1 -6  23 37 o 67.79784 0.8717050 46.09820       1.181546  46.21992       1.695492  45.98327       1.647459  0.1687622      1.743410  
1 1 1 -6  23 38 o 30.87064 0.7769265 9.140098       0.4691762 12.06142       0.7595516 7.337763       0.5966030 7.632315       1.553853  
1 1 1 -6  23 39 o 20.97240 0.9383044 4.381711       0.3902524 4.659698       0.5988125 4.176472       0.5145272 1.140265       1.876609  
1 1 1 -6  23 40 o 53.83044 0.7956489 28.80454       0.8512992 31.33584       1.294479  26.87550       1.130043  4.121372       1.591298  
1 1 1 -6  23 41 o 25.74458 0.8509758 6.649104       0.4366509 6.682802       0.6455812 6.620688       0.5928220 0.1127453      1.701952  
1 1 1 -6  23 42 o 29.97008 0.8023436 8.975945       0.4783360 9.335608       0.7203501 8.692270       0.6397400 1.061844       1.604687  
1 1 1 -6  23 43 o 23.38624 0.9381835 5.569572       0.4325652 4.658741       0.6266499 6.398593       0.5978454 -3.724812      1.876367  
1 1 1 -6  23 44 o 62.83468 0.8742874 39.66005       1.098418  38.65602       1.554842  40.66036       1.551957  -1.595440      1.748575  
1 1 1 -6  23 45 o 7.985249 1.853684  0.5373429      0.3555535 0.9818432      0.5568854 0.2314527      0.4619687 3.371099       3.707368  
1 1 1 -6  23 46 o 38.86250 0.8135262 15.19014       0.6302129 14.83254       0.9235621 15.50175       0.8621183 -0.8720131     1.627052  
1 1 1 -6  23 47 f 23.41017 1.174677  5.691225       0.5303370 6.311352       0.6901731 4.797160       0.8287088 3.270491       2.349355  
1 1 1 -6  23 48 o 30.72266 1.155829  9.548985       0.7085640 8.970325       1.013769  10.10167       0.9907494 -1.847839      2.311658  
1 1 1 -6  23 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  24 1  o 58.61161 0.7618415 34.34814       0.8924390 33.60648       1.234737  35.15937       1.291365  -1.322796      1.523683  
1 1 1 -6  24 2  o 48.41000 0.6944839 23.43236       0.6721495 24.23182       0.9654127 22.68026       0.9363781 1.601612       1.388968  
1 1 1 -6  24 3  o 66.62427 0.8232069 44.28972       1.094449  42.50622       1.488533  46.38844       1.614726  -2.908852      1.646414  
1 1 1 -6  24 4  o 35.73317 0.6500356 12.70455       0.4630372 11.92464       0.6246825 13.65559       0.6898190 -2.420151      1.300071  
1 1 1 -6  24 5  o 92.68234 1.051075  85.91158       1.946334  83.74015       2.680651  88.33261       2.830525  -2.470428      2.102150  
1 1 1 -6  24 6  o 50.29357 0.7098608 25.28291       0.7134530 24.65530       0.9852747 25.97476       1.034472  -1.310184      1.419722  
1 1 1 -6  24 7  o 158.9904 1.699421  253.7097       5.403676  252.7397       7.607740  254.6973       7.676629  -0.6103363     3.398841  
1 1 1 -6  24 8  o 56.75980 0.7493364 32.24062       0.8506315 32.37779       1.201637  32.10284       1.204317  0.2423019      1.498673  
1 1 1 -6  24 9  o 94.51444 1.068232  89.07145       2.012729  94.16759       2.996042  84.87976       2.717201  4.899643       2.136464  
1 1 1 -6  24 10 o 44.28269 0.6812884 19.53981       0.6019554 18.45270       0.8176097 20.82654       0.8895158 -2.678028      1.362577  
1 1 1 -6  24 11 o 74.82147 0.8940203 56.00038       1.337180  57.36906       1.928380  54.73277       1.855824  1.758606       1.788041  
1 1 1 -6  24 12 o 45.97200 0.6926925 20.97568       0.6342387 23.24621       0.9499634 19.14963       0.8519225 4.452175       1.385385  
1 1 1 -6  24 13 o 65.59756 0.8217635 43.06155       1.077974  43.72419       1.539661  42.42442       1.509749  0.9894867      1.643527  
1 1 1 -6  24 14 o 46.04493 0.6946337 20.80177       0.6327350 18.45728       0.8241450 24.16768       0.9874867 -6.195000      1.389267  
1 1 1 -6  24 15 o 80.37119 0.9463637 64.49313       1.518099  61.87959       2.068042  67.54724       2.235562  -3.517487      1.892727  
1 1 1 -6  24 16 o 73.14008 0.8851039 53.33397       1.291061  56.47084       1.915797  50.72414       1.747465  3.920486       1.770208  
1 1 1 -6  24 17 o 70.56783 0.8646706 49.59914       1.216195  52.90513       1.813701  46.89807       1.639395  4.247917       1.729341  
1 1 1 -6  24 18 o 46.39306 0.7071267 21.49548       0.6553754 20.58164       0.9011956 22.52127       0.9548079 -2.088272      1.414253  
1 1 1 -6  24 19 o 91.21802 1.044898  83.08084       1.901574  79.57977       2.581666  87.23293       2.811469  -4.180496      2.089796  
1 1 1 -6  24 20 o 41.33664 0.6946019 17.09430       0.5741137 17.51612       0.8225418 16.69359       0.8016983 0.9939728      1.389204  
1 1 1 -6  24 21 o 81.42113 0.9622908 66.41160       1.566966  66.80975       2.226878  66.02113       2.205329  0.4828415      1.924582  
1 1 1 -6  24 22 o 58.95287 0.7852129 34.79144       0.9257381 35.32132       1.318590  34.27641       1.299991  0.8852081      1.570426  
1 1 1 -6  24 23 f 124.1274 1.361064  154.5496       3.377125  151.6875       4.685299  157.6444       4.872130  -2.381401      2.722129  
1 1 1 -6  24 24 f 42.54361 0.7112691 18.05537       0.6041061 19.29114       0.8866692 16.98475       0.8252983 2.707245       1.422538  
1 1 1 -6  24 25 o 44.87717 1.003755  20.19946       0.8985831 20.00576       1.315645  20.36882       1.230228  -0.4115715     2.007510  
1 1 1 -6  24 26 o 19.34393 0.9359948 3.490945       0.3489800 4.867460       0.5974132 2.777926       0.4299667 5.387457       1.871990  
1 1 1 -6  24 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  24 28 o 13.16039 1.727181  1.815604       0.4365782 1.550389       0.6608680 2.020971       0.5815409 -2.026800      3.454361  
1 1 1 -6  24 29 o 21.73040 0.8280609 4.755149       0.3565114 3.983235       0.5014277 5.544268       0.5069849 -3.591339      1.656122  
1 1 1 -6  24 30 o 125.8675 1.384010  159.3070       3.483150  161.2293       4.993366  157.4852       4.861131  1.467613       2.768020  
1 1 1 -6  24 31 o 33.51611 0.7159899 11.26279       0.4791352 10.48841       0.6764965 12.04224       0.6787078 -2.317852      1.431980  
1 1 1 -6  24 32 o 34.96748 0.7263253 12.21847       0.5056912 10.68670       0.6972424 13.91842       0.7345239 -4.617764      1.452651  
1 1 1 -6  24 33 o 70.42487 0.8863199 49.71174       1.247727  50.53246       1.799287  48.95147       1.731754  1.114738       1.772640  
1 1 1 -6  24 34 o 34.40207 0.7310331 11.86380       0.5019928 11.78318       0.7319285 11.93540       0.6897937 -0.2253952     1.462066  
1 1 1 -6  24 35 f 8.548743 1.734568  0.7307187      0.3082264 0.9132794      0.4894787 0.6107630      0.3967717 1.594456       3.469136  
1 1 1 -6  24 36 o 82.45927 0.9920606 68.27084       1.636009  68.22738       2.324982  68.31345       2.302515  -0.5542755E-01 1.984121  
1 1 1 -6  24 37 o 73.02295 0.9192631 53.27837       1.338109  56.29152       1.992737  50.80406       1.805789  3.731880       1.838526  
1 1 1 -6  24 38 o 29.18627 0.9394513 8.735477       0.5329629 9.502553       0.6965582 7.652236       0.8277534 3.189499       1.878903  
1 1 1 -6  24 39 o 61.01877 1.013587  37.99610       1.203217  40.22768       1.559581  34.71473       1.891168  4.575455       2.027174  
1 1 1 -6  24 40 o 35.51347 0.9468808 12.96635       0.6502579 14.06468       0.8420402 11.34364       1.023497  3.860744       1.893762  
1 1 1 -6  24 41 o 37.61673 0.9632820 14.26055       0.7183322 14.55934       0.9602608 13.88091       1.082426  0.9232483      1.926564  
1 1 1 -6  24 42 o 20.15070 1.421953  3.934869       0.5449536 6.106952       0.8635755 2.497548       0.7024883 8.912420       2.843906  
1 1 1 -6  24 43 o 57.88102 1.171273  33.73857       1.355119  34.59834       1.957114  32.94675       1.878179  1.407833       2.342547  
1 1 1 -6  24 44 o 39.21165 1.083841  15.38679       0.8463321 13.57393       1.149691  17.53129       1.250434  -5.021786      2.167682  
1 1 1 -6  24 45 o 31.33727 1.126323  9.901221       0.7036711 8.891364       0.9836131 10.95985       1.007084  -3.294474      2.252645  
1 1 1 -6  24 46 o 21.99861 1.686631  5.027693       0.6720191 4.698542       1.226363  5.168946       0.8033766 -1.233585      3.373262  
1 1 1 -6  24 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  24 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  25 1  o 70.99323 0.8636482 50.44560       1.226121  51.17014       1.750317  49.74747       1.718126  1.000511       1.727296  
1 1 1 -6  25 2  o 56.78004 0.7557467 31.90476       0.8519562 29.42525       1.124913  35.24001       1.304669  -5.113300      1.511493  
1 1 1 -6  25 3  o 79.92538 0.9374575 63.88941       1.497140  62.33472       2.064385  65.61430       2.174453  -2.046234      1.874915  
1 1 1 -6  25 4  o 66.33937 0.8234713 43.92579       1.090284  42.18932       1.484729  45.95806       1.606217  -2.835243      1.646943  
1 1 1 -6  25 5  o 78.82912 0.9284177 62.19858       1.463405  63.22611       2.096671  61.22252       2.043487  1.268234       1.856835  
1 1 1 -6  25 6  f 81.08037 0.9484826 65.50930       1.532514  62.28952       2.063852  69.46661       2.288050  -4.414627      1.896965  
1 1 1 -6  25 7  o 135.0583 1.461335  182.9505       3.946448  180.9440       5.512868  185.0596       5.651971  -1.512787      2.922670  
1 1 1 -6  25 8  o 67.76096 0.8365020 45.63174       1.127967  42.82695       1.506258  49.21283       1.701988  -4.703255      1.673004  
1 1 1 -6  25 9  o 26.90676 0.6793087 7.219398       0.3648837 6.815961       0.4980440 7.686848       0.5361021 -1.616940      1.358617  
1 1 1 -6  25 10 f 49.62474 0.7099387 24.64583       0.7045578 24.68705       0.9908105 24.60366       1.002076  0.8446503E-01  1.419877  
1 1 1 -6  25 11 o 91.93182 1.047192  84.50961       1.922962  87.52940       2.806666  81.83793       2.639944  3.085823       2.094383  
1 1 1 -6  25 12 o 58.86778 0.7766870 34.68758       0.9143791 34.69263       1.285976  34.68242       1.300400  0.9311676E-02  1.553374  
1 1 1 -6  25 13 o 98.80956 1.113644  97.81490       2.200503  98.89236       3.142096  96.77776       3.082716  1.066193       2.227288  
1 1 1 -6  25 14 o 89.49654 1.028812  80.16420       1.840142  78.34457       2.543988  82.16095       2.664931  -2.124619      2.057623  
1 1 1 -6  25 15 o 99.12888 1.120247  97.87711       2.210243  92.66149       2.955725  104.4931       3.328966  -5.941086      2.240495  
1 1 1 -6  25 16 o 72.08524 0.8816837 51.86953       1.268200  49.66177       1.723824  54.47422       1.872384  -3.329163      1.763367  
1 1 1 -6  25 17 o 58.71677 0.7826575 34.28469       0.9154421 31.97733       1.229341  37.15682       1.371566  -4.402775      1.565315  
1 1 1 -6  25 18 o 98.09056 1.112924  96.13113       2.177712  92.22838       2.954393  100.7745       3.222550  -4.335304      2.225848  
1 1 1 -6  25 19 o 74.96988 0.9085888 56.24963       1.361546  57.65780       1.966777  54.95372       1.886748  1.798302       1.817178  
1 1 1 -6  25 20 o 68.65097 0.8588973 46.95269       1.175241  50.17883       1.752953  44.31864       1.583950  4.257240       1.717795  
1 1 1 -6  25 21 f 30.66842 1.049580  9.400358       0.6424209 10.30141       0.9351664 8.595155       0.8840297 2.777479       2.099160  
1 1 1 -6  25 22 o 128.4138 1.513677  166.2133       3.869680  170.7288       5.269819  160.9293       5.700644  3.869957       3.027354  
1 1 1 -6  25 23 f 71.59521 1.092824  51.41932       1.473685  51.38073       2.556835  51.43851       1.803361  -0.1110611     2.185647  
1 1 1 -6  25 24 o 97.20004 1.574450  95.09341       3.060724  94.83042       4.328755  95.35633       4.328279  -0.2705994     3.148901  
1 1 1 -6  25 25 o 50.55083 2.178730  25.72544       2.202733  25.72544       2.202733  ?              ?         ?              ?         
1 1 1 -6  25 26 f 57.62904 0.7878677 33.04655       0.9047692 30.62102       1.217987  36.03288       1.351473  -4.684456      1.575735  
1 1 1 -6  25 27 o 32.60376 0.7086346 10.35889       0.4557181 12.62883       0.7187222 8.832680       0.5893329 5.811880       1.417269  
1 1 1 -6  25 28 o 8.304070 1.642276  0.7301579      0.2872581 0.5354229      0.4504368 0.8636477      0.3729374 -1.557687      3.284552  
1 1 1 -6  25 29 o 92.40701 1.068552  85.31657       1.967641  90.23266       2.937737  81.31690       2.649812  4.787811       2.137104  
1 1 1 -6  25 30 o 52.67445 0.7655862 27.75815       0.8058712 26.60552       1.113135  29.02766       1.168206  -2.293907      1.531172  
1 1 1 -6  25 31 o 63.06098 0.8309699 39.69114       1.044770  42.06154       1.553951  37.73576       1.411374  3.414227       1.661940  
1 1 1 -6  25 32 o 47.39441 0.7423547 22.51563       0.7034858 22.07574       0.9991409 22.94809       0.9906715 -0.9211578     1.484709  
1 1 1 -6  25 33 o 52.12801 0.7720643 27.16486       0.8031105 28.26735       1.184303  26.22624       1.092752  1.947922       1.544129  
1 1 1 -6  25 34 o 78.58504 0.9571216 61.80122       1.500831  64.65400       2.215410  59.38142       2.040369  3.330254       1.914243  
1 1 1 -6  25 35 o 53.67110 0.7890981 28.84566       0.8464813 27.55523       1.174806  30.23895       1.220725  -2.494755      1.578196  
1 1 1 -6  25 36 o 24.50928 0.8564266 6.092516       0.4124824 4.779335       0.5818781 7.418962       0.5848093 -5.384552      1.712853  
1 1 1 -6  25 37 o 28.24777 0.8134684 8.050459       0.4567201 7.477135       0.6687313 8.551664       0.6252575 -1.908133      1.626937  
1 1 1 -6  25 38 o 27.41183 0.8016526 7.432147       0.4347066 8.241102       0.6777608 6.866784       0.5666011 2.491055       1.603305  
1 1 1 -6  25 39 o 41.13544 0.7628464 16.92319       0.6256837 17.56676       0.9282773 16.38738       0.8469984 1.422249       1.525693  
1 1 1 -6  25 40 o 38.76482 0.7898019 15.05824       0.6090423 13.01979       0.8426159 17.28824       0.8813190 -5.499634      1.579604  
1 1 1 -6  25 41 o 20.61244 1.009597  4.163808       0.4101813 4.950716       0.6511067 3.646011       0.5281655 3.139839       2.019195  
1 1 1 -6  25 42 o 32.02664 0.8305593 10.32311       0.5290581 10.08360       0.7856832 10.52180       0.7156177 -0.6970367     1.661119  
1 1 1 -6  25 43 o 13.99121 1.378189  1.945458       0.3801452 2.186526       0.6017580 1.785365       0.4903877 1.399705       2.756378  
1 1 1 -6  25 44 o 24.94085 1.408605  6.250039       0.6902002 6.571768       1.094459  6.037604       0.8893384 1.003830       2.817210  
1 1 1 -6  25 45 f 45.55078 1.594917  21.14982       1.450211  20.64548       2.101426  21.60842       2.003865  -1.096134      3.189835  
1 1 1 -6  25 46 o 9.068200 2.266006  0.7239876      0.5176550 0.9962367      0.7687222 0.4981017      0.7002139 1.839798       4.532011  
1 1 1 -6  26 1  o 56.38252 0.7555556 31.81948       0.8519646 32.21088       1.210899  31.43579       1.198910  0.6867828      1.511111  
1 1 1 -6  26 2  o 22.52474 0.7198228 5.024692       0.3225601 4.497750       0.4312208 5.694062       0.4860170 -2.653080      1.439646  
1 1 1 -6  26 3  o 40.59470 0.6765351 16.38393       0.5471367 15.29845       0.7351527 17.73175       0.8191871 -2.993507      1.353070  
1 1 1 -6  26 4  o 23.20314 0.7286239 5.386225       0.3376827 5.337987       0.4648226 5.440137       0.4913954 -0.2189045     1.457248  
1 1 1 -6  26 5  o 107.8880 1.199345  116.6458       2.586936  114.8723       3.600009  118.5394       3.719897  -1.690331      2.398690  
1 1 1 -6  26 6  o 26.54732 0.6976379 7.068478       0.3696244 7.389279       0.5144555 6.726180       0.5314124 1.249662       1.395276  
1 1 1 -6  26 7  f 30.92999 0.6687936 9.574368       0.4135981 9.883632       0.5874667 9.270419       0.5823984 0.9910698      1.337587  
1 1 1 -6  26 8  o 83.05873 0.9710770 68.95983       1.610718  71.78622       2.357744  66.48632       2.205653  3.180565       1.942154  
1 1 1 -6  26 9  o 42.31717 0.6890346 17.91127       0.5829133 17.50066       0.8100703 18.35220       0.8394420 -1.004749      1.378069  
1 1 1 -6  26 10 o 84.26204 0.9832007 71.13021       1.656815  70.64492       2.326650  71.62947       2.359884  -0.5819397     1.966401  
1 1 1 -6  26 11 f 64.74531 0.8229858 41.96835       1.065539  41.54607       1.491857  42.40810       1.522408  -0.6639404     1.645972  
1 1 1 -6  26 12 o 59.12928 0.7830820 34.71455       0.9213740 32.22967       1.229662  37.89561       1.391297  -4.782261      1.566164  
1 1 1 -6  26 13 o 22.21589 0.7725098 4.954489       0.3423217 5.242398       0.4771256 4.649066       0.4914229 1.336151       1.545020  
1 1 1 -6  26 14 f 24.78249 0.7420704 6.058242       0.3624351 7.723447       0.5467402 4.752842       0.4840819 5.990068       1.484141  
1 1 1 -6  26 15 o 21.90144 0.8049659 4.802523       0.3525373 4.930292       0.5017105 4.677911       0.4954742 0.5757999      1.609932  
1 1 1 -6  26 16 o 35.15487 0.9686072 12.30917       0.6789507 13.55286       1.005939  11.26857       0.9201488 3.242382       1.937214  
1 1 1 -6  26 17 o 17.30482 1.371266  3.076426       0.4604529 2.249322       0.6570412 3.874655       0.6454706 -4.697448      2.742531  
1 1 1 -6  26 18 o 73.17711 0.8972652 53.57593       1.312011  55.39667       1.905389  51.93425       1.809268  2.358528       1.794530  
1 1 1 -6  26 19 o 14.01964 1.174851  2.001610       0.3237132 1.775445       0.4881837 2.179094       0.4324634 -1.445215      2.349702  
1 1 1 -6  26 20 o 44.10013 1.002941  19.48416       0.8842448 18.79520       1.232336  20.21531       1.269515  -1.606689      2.005883  
1 1 1 -6  26 21 o 19.76272 1.363670  3.928523       0.5252550 5.185534       0.7709633 2.839639       0.7175545 5.928234       2.727340  
1 1 1 -6  26 22 o 69.57350 1.065621  48.69609       1.404703  48.98017       1.731806  48.14975       2.401698  0.6690292      2.131243  
1 1 1 -6  26 23 o 101.7060 1.153806  103.6282       2.343220  100.1619       3.205889  107.6041       3.433427  -3.631172      2.307613  
1 1 1 -6  26 24 o 34.63401 0.7250308 11.79702       0.4976346 10.15014       0.6556200 14.03544       0.7643490 -5.600641      1.450062  
1 1 1 -6  26 25 o 22.08880 0.7994744 4.792665       0.3496162 5.792227       0.5380812 4.062373       0.4599297 3.908667       1.598949  
1 1 1 -6  26 26 o 23.10961 0.7987307 5.361808       0.3680196 5.210649       0.5377249 5.494999       0.5047548 -0.6183167     1.597461  
1 1 1 -6  26 27 o 50.87714 0.7481933 25.93980       0.7611901 25.58956       1.081378  26.28378       1.071659  -0.6831436     1.496387  
1 1 1 -6  26 28 o 22.06854 0.8216425 4.755489       0.3578408 5.909741       0.5587437 3.952848       0.4659327 4.423767       1.643285  
1 1 1 -6  26 29 o 12.25856 1.278991  1.510466       0.3110080 1.524806       0.4718868 1.499454       0.4135311 0.9335709E-01  2.557981  
1 1 1 -6  26 30 o 44.08846 0.7355919 19.47931       0.6485016 19.44488       0.9256576 19.51249       0.9088141 -0.7836533E-01 1.471184  
1 1 1 -6  26 31 o 30.80383 0.7505896 9.524882       0.4611443 9.294420       0.6730030 9.728845       0.6331345 -0.7094269     1.501179  
1 1 1 -6  26 32 o 39.38828 0.7389444 15.55111       0.5816303 15.50780       0.8392335 15.59113       0.8068224 -0.1092796     1.477889  
1 1 1 -6  26 33 o 83.15662 0.9975592 69.44425       1.659030  68.78051       2.338032  70.11739       2.354501  -0.8013229     1.995118  
1 1 1 -6  26 34 o 34.65269 0.7397994 11.96382       0.5104059 12.80954       0.7673426 11.29272       0.6835483 2.178246       1.479599  
1 1 1 -6  26 35 o 41.46735 0.7486849 17.22208       0.6198957 17.59586       0.9069515 16.89438       0.8492229 0.8382225      1.497370  
1 1 1 -6  26 36 o 28.63068 0.7979481 8.273405       0.4540010 7.604693       0.6624499 8.865666       0.6234336 -2.207607      1.595896  
1 1 1 -6  26 37 o 45.65932 0.7749237 20.92797       0.7069069 20.51249       1.017183  21.31609       0.9831212 -0.8848190     1.549847  
1 1 1 -6  26 38 o 45.01080 0.7832966 20.32844       0.7035443 20.32751       1.030078  20.32925       0.9632083 -0.1216125E-01 1.566593  
1 1 1 -6  26 39 o 31.05228 0.8133970 9.666011       0.5013866 9.781144       0.7587720 9.576776       0.6680046 0.3142681      1.626794  
1 1 1 -6  26 40 o 28.32587 0.8542072 8.003545       0.4814732 8.608371       0.7266248 7.530133       0.6428563 1.887444       1.708414  
1 1 1 -6  26 41 o 50.55730 0.8911809 25.95666       0.8859134 24.03288       1.354693  27.39414       1.171022  -3.359940      1.782362  
1 1 1 -6  26 42 o 27.64783 1.343228  7.532516       0.7212247 8.561976       1.199174  6.949100       0.9027473 2.825243       2.686455  
1 1 1 -6  26 43 o 38.70107 0.8164042 15.06792       0.6299043 14.77529       0.9234235 15.32259       0.8614411 -0.7196198     1.632808  
1 1 1 -6  26 44 o 11.96250 1.731500  1.514457       0.4022042 1.331020       0.6157970 1.650928       0.5311496 -1.581467      3.463000  
1 1 1 -6  26 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  27 1  o 22.19760 1.220331  4.928793       0.5406212 4.502195       0.7448143 5.403814       0.7859507 -2.027168      2.440661  
1 1 1 -6  27 2  o 34.09857 1.043903  11.61036       0.7105612 10.77898       0.9725305 12.56238       1.040700  -2.609795      2.087805  
1 1 1 -6  27 3  o 12.41867 1.623764  1.671563       0.3433273 1.395607       0.6618364 1.773164       0.4015870 -1.763004      3.247528  
1 1 1 -6  27 4  o 31.35460 0.7727200 9.932397       0.4786413 9.178617       0.7193219 10.53133       0.6411966 -2.161577      1.545440  
1 1 1 -6  27 5  o 70.95140 0.8720011 50.42196       1.237392  50.50415       1.751481  50.34007       1.748397  0.1154251      1.744002  
1 1 1 -6  27 6  o 86.11391 1.002245  73.76789       1.716687  69.40102       2.287410  79.39937       2.597586  -5.781715      2.004491  
1 1 1 -6  27 7  o 92.53309 1.060468  85.78160       1.961724  87.53910       2.825128  84.14513       2.726114  1.825836       2.120937  
1 1 1 -6  27 8  f 57.56807 0.7707145 33.09213       0.8856223 31.79075       1.207264  34.60843       1.303142  -2.441444      1.541429  
1 1 1 -6  27 9  o 90.18626 1.041559  81.00600       1.869899  86.86224       2.814490  76.37838       2.501897  5.786217       2.083118  
1 1 1 -6  27 10 o 66.23063 0.8382509 43.88984       1.109674  45.24930       1.604131  42.64231       1.536674  1.963501       1.676502  
1 1 1 -6  27 11 o 60.68095 0.7964269 36.41443       0.9588596 33.39470       1.262450  40.53144       1.474079  -5.866550      1.592854  
1 1 1 -6  27 12 o 46.41999 0.7139394 21.57465       0.6628056 21.75001       0.9375108 21.39941       0.9371866 0.3776169      1.427879  
1 1 1 -6  27 13 o 99.44506 1.126967  99.13403       2.240298  97.26194       3.109224  101.1554       3.230792  -1.945786      2.253935  
1 1 1 -6  27 14 o 113.2620 1.258542  128.7468       2.850143  130.6541       4.088041  126.9429       3.975728  1.625809       2.517083  
1 1 1 -6  27 15 o 108.7487 1.308698  119.1127       2.833097  115.0264       4.171968  122.6098       3.859462  -3.524124      2.617397  
1 1 1 -6  27 16 o 51.22489 1.039915  26.19282       1.062021  27.84266       1.580450  24.83447       1.434049  2.921635       2.079831  
1 1 1 -6  27 17 f 68.82507 1.212314  47.55608       1.668399  48.06630       2.388811  47.07019       2.331188  0.7166214      2.424628  
1 1 1 -6  27 18 f 53.42206 0.9182122 29.14481       0.9496872 31.03651       1.223714  26.28009       1.505892  4.478165       1.836424  
1 1 1 -6  27 19 o 45.30838 0.7255039 20.54171       0.6571214 19.89866       0.9128514 21.23332       0.9466921 -1.470280      1.451008  
1 1 1 -6  27 20 o 24.51962 0.8069702 5.914863       0.3905815 7.458735       0.5944577 4.742087       0.5181108 5.533194       1.613940  
1 1 1 -6  27 21 f 53.65974 0.7704492 28.83935       0.8267134 28.39697       1.156739  29.30123       1.181968  -0.8404198     1.540898  
1 1 1 -6  27 22 o 42.57935 0.7246090 18.15631       0.6169435 18.67565       0.8797486 17.65377       0.8654078 1.198772       1.449218  
1 1 1 -6  27 23 o 80.04077 0.9635666 64.24021       1.542091  65.44384       2.211935  63.10193       2.151033  1.455894       1.927133  
1 1 1 -6  27 24 o 35.81560 0.7392637 12.76687       0.5271277 14.61687       0.7786013 11.20136       0.7162395 4.762402       1.478527  
1 1 1 -6  27 25 o 27.52509 0.7759205 7.549115       0.4248272 8.751481       0.6250741 6.516955       0.5791444 4.054417       1.551841  
1 1 1 -6  27 26 o 94.94649 1.093596  90.56049       2.076645  90.42225       2.941209  90.69791       2.932451  -0.1464615     2.187191  
1 1 1 -6  27 27 o 34.01070 0.7273936 11.60632       0.4934874 10.59701       0.6955693 12.62926       0.7002475 -2.987194      1.454787  
1 1 1 -6  27 28 o 34.60039 0.7179270 11.97393       0.4961053 12.40600       0.7253767 11.59420       0.6800158 1.168491       1.435854  
1 1 1 -6  27 29 o 41.12969 0.7275601 16.62486       0.5924085 19.47407       0.9201450 14.60773       0.7742118 5.900307       1.455120  
1 1 1 -6  27 30 o 39.02453 0.7281802 15.16906       0.5653340 16.14404       0.8535706 14.40716       0.7545594 2.214622       1.456360  
1 1 1 -6  27 31 o 48.71553 0.7541701 23.79398       0.7346491 23.75991       1.049089  23.82675       1.029100  -0.7101822E-01 1.508340  
1 1 1 -6  27 32 f 24.90298 0.8112104 6.185399       0.4028305 6.735429       0.5978525 5.728046       0.5451630 2.015228       1.622421  
1 1 1 -6  27 33 o 67.89865 0.8776689 46.08518       1.187956  48.59242       1.768344  44.02298       1.603737  3.339432       1.755338  
1 1 1 -6  27 34 o 39.23526 0.7491230 15.45116       0.5864294 15.22696       0.8561419 15.64933       0.8049008 -0.5450668     1.498246  
1 1 1 -6  27 35 o 13.07709 1.331314  1.716078       0.3407626 1.773899       0.5446268 1.678880       0.4368309 0.3367434      2.662627  
1 1 1 -6  27 36 o 42.27322 0.7639011 17.84705       0.6425481 18.69964       0.9672801 17.17369       0.8596182 1.788639       1.527802  
1 1 1 -6  27 37 o 21.84635 0.9478795 4.837947       0.4099641 4.439654       0.6089280 5.168159       0.5544477 -1.677708      1.895759  
1 1 1 -6  27 38 o 47.70178 0.7930205 22.67699       0.7517123 24.27139       1.142935  21.46151       0.9979226 2.919659       1.586041  
1 1 1 -6  27 39 o 17.18234 1.664227  2.852128       0.5519622 3.595670       0.9436090 2.465384       0.6805352 3.192231       3.328454  
1 1 1 -6  27 40 o 21.36661 1.241055  4.700263       0.5181097 5.157191       0.6861318 4.094069       0.7902951 2.517035       2.482109  
1 1 1 -6  27 41 o 18.30187 1.102085  3.271960       0.3969680 4.070081       0.6314431 2.750387       0.5104557 3.572441       2.204169  
1 1 1 -6  27 42 o 30.23864 0.8589570 9.225691       0.5159228 8.859764       0.7671776 9.527819       0.6970969 -1.119452      1.717914  
1 1 1 -6  27 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  28 1  o 18.94340 0.8525440 3.604722       0.3162933 4.618974       0.4605729 2.699460       0.4351237 5.064474       1.705088  
1 1 1 -6  28 2  o 48.19845 0.7175747 23.19888       0.6907782 24.70527       1.007480  21.86241       0.9489603 2.945244       1.435149  
1 1 1 -6  28 3  o 25.56880 0.7238975 6.552225       0.3697268 6.680564       0.5133798 6.413934       0.5329124 0.5227013      1.447795  
1 1 1 -6  28 4  o 20.87910 0.7941682 4.365195       0.3312478 4.338804       0.4569590 4.394420       0.4808652 -0.1314278     1.588336  
1 1 1 -6  28 5  f 102.7391 1.435176  105.8238       2.752732  105.2851       3.336586  106.9719       4.871130  -0.6189194     2.870352  
1 1 1 -6  28 6  o 79.92729 1.249802  64.13084       1.949126  64.06451       2.495873  64.23451       3.120568  -0.3327179E-01 2.499604  
1 1 1 -6  28 7  f 40.34867 1.046784  16.30477       0.8440475 15.74272       1.165482  16.92467       1.223993  -1.458832      2.093567  
1 1 1 -6  28 8  f 54.11378 1.101882  29.17064       1.186595  27.39454       1.584782  31.43680       1.790114  -3.712959      2.203764  
1 1 1 -6  28 9  o 7.422179 1.895461  0.2952811      0.3738981 0.8683112      0.6198401 -0.3249641E-01 0.4687924 3.823009       3.790922  
1 1 1 -6  28 10 f 23.86116 0.9804102 5.752037       0.4351850 5.591509       0.7678190 5.828011       0.5282212 -0.5188637     1.960820  
1 1 1 -6  28 11 o 44.83439 0.7729684 20.13476       0.6879820 20.14815       1.038128  20.12427       0.9186903 0.1713562E-01  1.545937  
1 1 1 -6  28 12 o 41.88678 0.9746533 17.43030       0.8126376 19.47616       1.221896  15.80773       1.088178  4.365410       1.949307  
1 1 1 -6  28 13 o 50.03654 1.018331  25.10019       1.018802  24.48386       1.421468  25.75125       1.460950  -1.262257      2.036662  
1 1 1 -6  28 14 o 80.62270 1.158240  66.05003       1.801465  68.45347       2.289273  62.14131       2.919432  3.990753       2.316479  
1 1 1 -6  28 15 f 79.31334 0.9512746 63.03904       1.508402  64.53510       2.170136  61.64067       2.098093  1.817291       1.902549  
1 1 1 -6  28 16 o 72.43779 0.8965020 52.57205       1.298358  53.83430       1.866588  51.38890       1.807165  1.682030       1.793004  
1 1 1 -6  28 17 o 45.20493 0.7317370 20.40749       0.6605471 21.77437       0.9658375 19.20632       0.9053981 2.835403       1.463474  
1 1 1 -6  28 18 o 33.31252 0.7273814 11.05809       0.4832286 12.24743       0.7117035 10.04085       0.6582044 3.307365       1.454763  
1 1 1 -6  28 19 o 59.41004 1.052426  34.68733       1.206962  38.21289       2.028209  32.75428       1.501830  4.526817       2.104852  
1 1 1 -6  28 20 o 35.54045 0.7308742 12.65484       0.5193747 12.63743       0.7259709 12.67310       0.7433509 -0.4857254E-01 1.461748  
1 1 1 -6  28 21 o 28.13885 0.7827524 7.809999       0.4340264 9.975599       0.6565194 6.128678       0.5784738 6.827711       1.565505  
1 1 1 -6  28 22 o 68.02496 0.8708194 46.38210       1.184357  45.46443       1.649157  47.35949       1.701958  -1.386742      1.741639  
1 1 1 -6  28 23 o 14.35165 1.277339  2.126993       0.3399579 1.376699       0.4674343 2.969489       0.4953232 -5.692604      2.554677  
1 1 1 -6  28 24 o 79.52689 0.9645016 63.44647       1.533637  64.65850       2.201377  62.30342       2.137800  1.472198       1.929003  
1 1 1 -6  28 25 f 47.82165 0.7567734 22.81535       0.7218797 21.48008       0.9782723 24.41164       1.069616  -3.055153      1.513547  
1 1 1 -6  28 26 o 50.83206 0.7600068 25.78930       0.7709899 23.95376       1.051479  27.92375       1.133865  -3.895844      1.520014  
1 1 1 -6  28 27 o 53.16737 0.7737057 28.31432       0.8219569 28.88803       1.192862  27.79564       1.134201  1.020531       1.547411  
1 1 1 -6  28 28 o 21.75759 0.8567480 4.725725       0.3695049 4.923204       0.5661849 4.579214       0.4876771 0.7797737      1.713496  
1 1 1 -6  28 29 o 45.60306 0.7475471 20.84253       0.6812908 21.10175       0.9853972 20.60514       0.9429829 0.5390625      1.495094  
1 1 1 -6  28 30 o 28.83055 0.7856611 8.396067       0.4498275 7.545666       0.6519902 9.168576       0.6214148 -2.818771      1.571322  
1 1 1 -6  28 31 o 52.65632 0.7813025 27.81712       0.8226042 27.49689       1.172258  28.12778       1.154619  -0.6015015     1.562605  
1 1 1 -6  28 32 o 43.85968 0.7634712 19.11464       0.6659533 20.99794       1.009342  17.66276       0.8862239 3.785046       1.526942  
1 1 1 -6  28 33 f 83.55592 1.009385  70.18468       1.686591  69.00744       2.363162  71.40687       2.407865  -1.427162      2.018769  
1 1 1 -6  28 34 o 44.26748 0.7695657 19.63424       0.6799741 20.07390       0.9981047 19.25345       0.9288802 0.9160690      1.539131  
1 1 1 -6  28 35 o 70.51643 0.9092479 49.94292       1.281469  50.61916       1.851663  49.32131       1.775289  0.9057693      1.818496  
1 1 1 -6  28 36 o 22.05627 1.457912  5.113554       0.6188276 3.921414       0.9332672 6.048983       0.8267000 -4.856657      2.915825  
1 1 1 -6  28 37 o 39.42012 1.041875  15.69239       0.8186736 16.92580       1.147516  14.41385       1.168322  3.190910       2.083749  
1 1 1 -6  28 38 o 27.88375 0.8610598 7.845185       0.4772859 7.471318       0.7048892 8.161713       0.6485885 -1.249182      1.722120  
1 1 1 -6  28 39 o 35.28761 0.8028880 12.24960       0.5598454 14.23954       0.8787762 10.89024       0.7263148 4.715214       1.605776  
1 1 1 -6  28 40 o 20.83040 1.009299  4.201514       0.4117338 5.273117       0.6701195 3.551638       0.5218557 4.095207       2.018599  
1 1 1 -6  28 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  29 1  o 103.8354 1.170443  108.2707       2.430609  107.9657       3.423534  108.5807       3.451438  -0.2925568     2.340887  
1 1 1 -6  29 2  o 7.661735 1.529604  0.5880970      0.2672977 0.9252040      0.3717506 0.2272661      0.3846093 3.490300       3.059208  
1 1 1 -6  29 3  o 11.13629 1.331736  1.278289       0.2869458 1.446495       0.3999322 1.099831       0.4119394 1.730335       2.663471  
1 1 1 -6  29 4  o 72.43381 0.8919324 52.42134       1.288792  50.31876       1.748563  54.92214       1.906978  -3.162254      1.783865  
1 1 1 -6  29 5  o 55.74248 0.7669535 31.11573       0.8548504 31.96620       1.222690  30.30247       1.195646  1.490067       1.533907  
1 1 1 -6  29 6  o 127.6019 1.399550  163.7019       3.569656  160.6482       4.948726  167.0142       5.154043  -2.462860      2.799100  
1 1 1 -6  29 7  o 35.53748 0.8243287 12.73409       0.5672376 12.33778       0.9187039 12.97826       0.7211038 -0.9190331     1.648657  
1 1 1 -6  29 8  o 28.61665 0.9626576 8.140603       0.5471594 9.624449       0.8132851 6.913592       0.7395589 4.728558       1.925315  
1 1 1 -6  29 9  o 34.93399 0.9457051 12.00616       0.6543558 10.46877       0.8576738 14.14746       1.012204  -5.248566      1.891410  
1 1 1 -6  29 10 o 85.42067 1.218768  73.13824       1.963945  72.77282       2.404050  73.87144       3.405284  -0.5041122     2.437535  
1 1 1 -6  29 11 o 52.64296 0.7609099 27.38290       0.7945389 24.89200       1.044906  30.79737       1.223377  -5.592945      1.521820  
1 1 1 -6  29 12 o 75.97186 0.9271147 57.88558       1.408625  57.97376       1.983218  57.79580       2.001094  0.1191025      1.854229  
1 1 1 -6  29 13 f 13.08234 1.505803  1.548887       0.3648978 1.294425       0.4287221 2.217797       0.6951006 -3.479803      3.011606  
1 1 1 -6  29 14 f 77.76897 1.350621  60.84222       2.099645  60.08149       2.915596  61.66175       3.026182  -0.9973831     2.701242  
1 1 1 -6  29 15 o 44.40921 1.064250  19.76429       0.9439573 19.11033       1.294465  20.50699       1.379504  -1.560928      2.128500  
1 1 1 -6  29 16 o 19.10306 1.301867  3.652963       0.4944267 3.129057       0.6752733 4.258404       0.7259206 -2.947338      2.603733  
1 1 1 -6  29 17 o 26.53392 1.121053  7.069613       0.5947245 6.842246       0.8300146 7.309508       0.8525740 -0.8771172     2.242106  
1 1 1 -6  29 18 o 17.15463 1.294862  3.174589       0.4059222 2.366434       0.6802032 3.621586       0.5058755 -3.687209      2.589724  
1 1 1 -6  29 19 o 26.70164 0.9756470 7.454307       0.4942766 6.063600       0.7932071 8.337110       0.6319760 -4.278015      1.951294  
1 1 1 -6  29 20 o 41.14859 0.7396460 16.86832       0.6069071 15.48468       0.8227049 18.52030       0.8989464 -3.680756      1.479292  
1 1 1 -6  29 21 o 28.81646 0.7776172 8.302179       0.4474967 7.731406       0.6162059 8.939098       0.6509327 -2.091608      1.555234  
1 1 1 -6  29 22 o 28.50219 0.7700419 8.138638       0.4386770 8.011574       0.6077595 8.276835       0.6338269 -0.4624043     1.540084  
1 1 1 -6  29 23 o 12.32975 1.366829  1.550380       0.3269739 1.313928       0.4503929 1.813867       0.4754454 -2.188768      2.733659  
1 1 1 -6  29 24 o 33.01737 0.7654908 10.80072       0.5016668 12.86097       0.7527541 9.154528       0.6728753 5.603462       1.530982  
1 1 1 -6  29 25 o 78.32837 0.9596549 61.31057       1.498218  58.11750       2.019634  65.21804       2.234171  -4.498657      1.919310  
1 1 1 -6  29 26 o 60.75949 0.8244211 37.01725       1.001080  37.60562       1.448472  36.47922       1.385132  0.9178772      1.648842  
1 1 1 -6  29 27 o 50.03129 0.7692267 25.09799       0.7694168 24.14294       1.079004  26.08601       1.097470  -1.939354      1.538453  
1 1 1 -6  29 28 o 12.72321 1.270774  1.654411       0.3162286 1.510545       0.4892772 1.757622       0.4144172 -0.9875813     2.541547  
1 1 1 -6  29 29 o 33.76722 0.7589231 11.45189       0.5113066 10.51971       0.7219614 12.38997       0.7242377 -2.769020      1.517846  
1 1 1 -6  29 30 o 42.66864 0.7573172 18.26860       0.6455268 18.12324       0.9336206 18.40175       0.8935243 -0.3321304     1.514634  
1 1 1 -6  29 31 o 33.14693 0.7640371 10.98942       0.5047340 11.40874       0.7512310 10.64437       0.6814617 1.142418       1.528074  
1 1 1 -6  29 32 o 32.05125 0.7774750 10.28974       0.4960149 10.49488       0.7415977 10.12368       0.6672242 0.5673504      1.554950  
1 1 1 -6  29 33 o 19.33871 1.544795  3.937077       0.5678410 3.266635       0.9123384 4.361026       0.7254919 -2.891350      3.089590  
1 1 1 -6  29 34 f 14.10678 1.813619  2.298531       0.4864599 0.8104776      0.7064193 3.640595       0.6708726 -9.762479      3.627239  
1 1 1 -6  29 35 o 38.94176 0.7787923 15.22360       0.6050946 15.21763       0.8868456 15.22881       0.8276807 -0.2473068E-01 1.557585  
1 1 1 -6  29 36 o 39.89596 0.7891874 15.97981       0.6283278 14.59298       0.8778903 17.43637       0.8996903 -3.559448      1.578375  
1 1 1 -6  29 37 o 43.27444 0.7962538 18.83296       0.6879976 18.37899       0.9949465 19.24894       0.9523988 -1.013691      1.592508  
1 1 1 -6  29 38 o 34.52864 0.8170604 11.83265       0.5577851 12.90428       0.8701378 11.08511       0.7267414 2.605686       1.634121  
1 1 1 -6  29 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  30 1  o 89.56441 1.040667  80.51705       1.863742  79.63432       2.603977  81.44419       2.668673  -1.001640      2.081335  
1 1 1 -6  30 2  o 51.21559 0.8876011 26.03158       0.8685125 27.22558       1.478932  25.40304       1.073032  1.732986       1.775202  
1 1 1 -6  30 3  o 56.51025 1.050336  32.03054       1.186300  31.20999       1.641412  32.92785       1.716467  -1.509739      2.100672  
1 1 1 -6  30 4  f 36.13004 0.9218478 13.09614       0.6659923 13.18668       0.9344110 13.00265       0.9494806 0.2564888      1.843696  
1 1 1 -6  30 5  o 58.41673 0.9530197 33.77589       1.048181  32.90211       1.274231  35.60455       1.843369  -2.243145      1.906039  
1 1 1 -6  30 6  o 88.01558 1.028820  77.67803       1.809606  80.03733       2.623741  75.53751       2.499143  2.539482       2.057639  
1 1 1 -6  30 7  o 32.94616 0.7155328 10.87071       0.4711383 10.76284       0.6525449 10.98818       0.6809424 -0.3393097     1.431066  
1 1 1 -6  30 8  o 24.24813 0.7798172 5.882956       0.3763436 6.721263       0.5450845 5.119313       0.5202446 3.300678       1.559634  
1 1 1 -6  30 9  f 16.49750 0.9732141 2.720816       0.3204181 2.571035       0.4359998 2.896706       0.4724739 -0.9822769     1.946428  
1 1 1 -6  30 10 o 34.68297 0.7116056 12.03996       0.4933033 12.64115       0.7095461 11.47750       0.6863065 1.675327       1.423211  
1 1 1 -6  30 11 o 53.95837 0.7712367 29.16348       0.8319249 28.60847       1.155820  29.76011       1.198373  -1.062710      1.542473  
1 1 1 -6  30 12 o 39.87406 0.7172464 15.67502       0.5673762 13.70424       0.7492090 18.32509       0.8687873 -5.782635      1.434493  
1 1 1 -6  30 13 o 14.02365 1.143249  1.976448       0.3205698 1.970698       0.4480609 1.982479       0.4588397 -0.4031849E-01 2.286498  
1 1 1 -6  30 14 o 46.87701 1.078427  22.00772       1.009199  21.00676       1.376920  23.16960       1.483474  -2.290970      2.156853  
1 1 1 -6  30 15 o 24.52047 0.8143438 6.026667       0.3992999 5.909943       0.5589723 6.148298       0.5705979 -0.4846878     1.628688  
1 1 1 -6  30 16 f 61.36289 0.8211469 37.63465       1.005956  39.88020       1.477465  35.69405       1.373491  3.398605       1.642294  
1 1 1 -6  30 17 o 16.41260 1.043780  2.722758       0.3374812 3.316498       0.4831052 2.156860       0.4716423 3.531049       2.087560  
1 1 1 -6  30 18 o 45.09275 0.7382930 20.36870       0.6656528 20.96499       0.9538054 19.80251       0.9294184 1.286350       1.476586  
1 1 1 -6  30 19 o 17.79131 1.008785  3.177113       0.3587323 3.230357       0.5180784 3.128072       0.4972129 0.2842922      2.017569  
1 1 1 -6  30 20 o 30.26249 0.7646129 9.183137       0.4624740 9.620698       0.6570517 8.753514       0.6510635 1.432051       1.529226  
1 1 1 -6  30 21 o 27.38895 0.7980017 7.471504       0.4345861 6.424134       0.5903659 8.710405       0.6420808 -4.166883      1.596003  
1 1 1 -6  30 22 o 48.93923 0.7678852 24.01992       0.7515851 24.08826       1.061276  23.95116       1.064535  0.1405067      1.535770  
1 1 1 -6  30 23 o 59.39278 0.8274444 35.26440       0.9808400 37.45853       1.445180  33.39058       1.335533  3.408638       1.654889  
1 1 1 -6  30 24 o 31.56234 0.9465572 9.991386       0.5646193 9.960683       0.6927466 10.05214       0.9744925 -0.9848022E-01 1.893114  
1 1 1 -6  30 25 o 30.35663 0.9576073 9.243896       0.5564713 9.209877       0.6925097 9.305894       0.9348891 -0.1172523     1.915215  
1 1 1 -6  30 26 o 36.42016 0.9457971 12.74268       0.6508815 11.66849       0.7855290 15.09559       1.162588  -4.639435      1.891594  
1 1 1 -6  30 27 o 63.75941 1.216184  40.97651       1.550736  40.69877       2.176455  41.26289       2.210075  -0.4345016     2.432369  
1 1 1 -6  30 28 o 50.92654 1.105797  25.72459       1.117698  29.63005       1.711346  22.81954       1.475972  6.634785       2.211595  
1 1 1 -6  30 29 o 17.16892 1.512698  2.988319       0.5178662 2.961250       0.7604451 3.011731       0.7071972 -0.1633511     3.025396  
1 1 1 -6  30 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  30 31 o 10.72926 3.205413  1.205049       0.7400993 1.205049       0.7400993 ?              ?         ?              ?         
1 1 1 -6  30 32 o 11.67082 1.844518  1.441256       0.4619567 0.5048959      0.6528164 2.380427       0.6537955 -7.296492      3.689036  
1 1 1 -6  30 33 o 25.55972 1.199398  6.614539       0.6110916 6.266502       0.8854334 6.931104       0.8444505 -1.311491      2.398795  
1 1 1 -6  30 34 o 77.93516 1.375879  61.53833       2.144495  61.02187       3.015847  62.06654       3.049989  -0.6585999     2.751758  
1 1 1 -6  30 35 o 8.577459 2.122861  0.6801401      0.4596806 0.3735344      0.7177822 0.8933241      0.5985218 -1.485972      4.245722  
1 1 1 -6  30 36 o 20.81363 4.339655  0.000000       0.000000  ?              ?         4.762576       1.747205  ?              ?         
1 1 1 -6  31 1  o 12.74762 1.284870  1.655821       0.3039227 1.044146       0.4082563 2.416207       0.4551866 -5.524891      2.569739  
1 1 1 -6  31 2  o 54.38866 0.7721429 29.65120       0.8398023 29.53427       1.176984  29.77247       1.198632  -0.2165642     1.544286  
1 1 1 -6  31 3  o 63.78052 0.8332153 40.69416       1.061408  42.76296       1.551273  38.87310       1.455423  3.037888       1.666431  
1 1 1 -6  31 4  o 53.09092 0.7621215 28.25380       0.8092043 28.30723       1.140067  28.19955       1.148758  0.1023674      1.524243  
1 1 1 -6  31 5  o 102.8400 1.166895  106.3299       2.399760  107.6046       3.427567  105.1041       3.360959  1.204483       2.333790  
1 1 1 -6  31 6  f 10.49740 1.433300  1.143626       0.2919300 0.7198011      0.4021027 1.616004       0.4245106 -4.356703      2.866601  
1 1 1 -6  31 7  o 44.37541 0.7293290 19.68842       0.6464998 20.97502       0.9398022 18.53262       0.8907464 2.746758       1.458658  
1 1 1 -6  31 8  o 50.76717 0.7562733 25.70068       0.7655244 24.18355       1.034255  27.53892       1.138461  -3.293148      1.512547  
1 1 1 -6  31 9  o 20.06181 0.8724262 4.027738       0.3491880 3.907727       0.4746704 4.169285       0.5155059 -0.6466713     1.744852  
1 1 1 -6  31 10 o 98.34145 1.127339  97.19908       2.216975  98.43249       3.167714  96.01494       3.103816  1.218597       2.254678  
1 1 1 -6  31 11 o 58.51845 1.168512  34.44258       1.366783  34.54650       1.902144  34.33165       1.965245  0.1944351      2.337024  
1 1 1 -6  31 12 o 43.21431 0.7331200 18.71968       0.6333364 18.80410       0.8835355 18.63044       0.9083246 0.2036438      1.466240  
1 1 1 -6  31 13 o 51.09859 0.7623718 26.17586       0.7790585 26.63465       1.104677  25.72190       1.098856  0.8924408      1.524744  
1 1 1 -6  31 14 o 17.14711 1.013278  2.953925       0.3466644 2.689739       0.4849799 3.229933       0.4957113 -1.573465      2.026557  
1 1 1 -6  31 15 o 58.74800 0.8095427 34.31979       0.9466200 37.75958       1.426474  31.61296       1.265399  5.210007       1.619085  
1 1 1 -6  31 16 o 53.30110 0.7777975 28.49430       0.8290793 28.66927       1.167193  28.31612       1.177871  0.3326797      1.555595  
1 1 1 -6  31 17 o 44.30853 0.7441182 19.64656       0.6587233 20.59098       0.9584846 18.80124       0.9068125 2.012955       1.488236  
1 1 1 -6  31 18 o 11.74345 1.520664  1.459663       0.3404740 0.8318862      0.4732124 2.133446       0.4902452 -5.623229      3.041328  
1 1 1 -6  31 19 o 50.69134 0.7755535 25.70201       0.7851765 27.26010       1.146993  24.32800       1.077113  2.882557       1.551107  
1 1 1 -6  31 20 o 42.32145 0.7531742 17.92083       0.6367731 17.03625       0.8759957 18.91196       0.9272552 -2.209209      1.506348  
1 1 1 -6  31 21 o 7.079325 1.813920  0.4223212      0.3313789 0.4468304      0.4707601 0.3982485      0.4665493 0.2144718      3.627840  
1 1 1 -6  31 22 o 56.03099 0.8117061 31.06968       0.9025589 28.10158       1.189444  35.09834       1.385749  -6.214245      1.623412  
1 1 1 -6  31 23 o 7.102573 1.811575  0.4244343      0.3328560 0.3109739      0.4720873 0.5365988      0.4693834 -0.9140735     3.623149  
1 1 1 -6  31 24 o 26.00876 0.8587447 6.792691       0.4466862 6.755321       0.6327366 6.829818       0.6306877 -0.1435642     1.717489  
1 1 1 -6  31 25 f 14.97149 1.347242  2.333062       0.3718916 1.472712       0.5125760 3.289330       0.5403941 -6.215797      2.694484  
1 1 1 -6  31 26 o 19.90010 1.331630  4.432741       0.4491878 3.146662       0.8367441 4.953421       0.5324076 -4.617481      2.663261  
1 1 1 -6  31 27 o 23.97572 1.206486  5.567719       0.5620112 6.796368       0.9407358 4.885838       0.7008225 3.919436       2.412973  
1 1 1 -6  31 28 o 18.29672 1.049976  3.352913       0.3808680 3.501426       0.5834232 3.242617       0.5027851 0.6885834      2.099952  
1 1 1 -6  31 29 o 22.33471 0.9326050 4.801603       0.4070838 6.494007       0.6534234 3.728049       0.5204207 6.164379       1.865210  
1 1 1 -6  31 30 o 29.75693 0.8019454 8.930147       0.4750125 8.378991       0.6922973 9.420456       0.6529650 -1.757267      1.603891  
1 1 1 -6  31 31 o 53.57061 0.8103098 28.78118       0.8673617 27.19090       1.200897  30.51549       1.254101  -3.092384      1.620620  
1 1 1 -6  31 32 o 41.91586 0.7800083 17.62419       0.6525502 17.96044       0.9577799 17.33288       0.8914739 0.7356300      1.560017  
1 1 1 -6  31 33 o 53.94947 0.8389014 29.28009       0.9040638 28.32119       1.296626  30.18729       1.261189  -1.736740      1.677803  
1 1 1 -6  31 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  32 1  o 46.53534 0.7372669 21.60462       0.6844814 23.52649       1.009657  19.97013       0.9311126 3.811298       1.474534  
1 1 1 -6  32 2  o 22.25187 0.8365827 5.008657       0.3686329 5.739353       0.5168376 4.252016       0.5259328 3.343325       1.673165  
1 1 1 -6  32 3  o 10.05930 1.429964  1.112331       0.3058082 1.972687       0.4274235 0.2100386      0.4377163 7.893878       2.859928  
1 1 1 -6  32 4  o 31.34626 0.7385252 9.859885       0.4622959 10.01978       0.6394857 9.684848       0.6690890 0.5379467      1.477050  
1 1 1 -6  32 5  o 49.14500 0.7480475 23.92703       0.7300066 21.87460       0.9644826 26.67989       1.116999  -4.869415      1.496095  
1 1 1 -6  32 6  o 29.07464 0.7555880 8.476166       0.4390994 8.459570       0.6101045 8.493999       0.6324594 -0.5630875E-01 1.511176  
1 1 1 -6  32 7  o 34.70955 0.7385369 11.95867       0.5101104 10.70360       0.6832881 13.53889       0.7667066 -4.073647      1.477074  
1 1 1 -6  32 8  o 50.51029 1.126984  25.63532       1.137515  27.12555       1.641706  24.25922       1.577587  2.824795       2.253967  
1 1 1 -6  32 9  o 39.51154 0.7247424 15.63838       0.5721810 16.61997       0.8214822 14.71345       0.7974263 2.409561       1.449485  
1 1 1 -6  32 10 o 50.35414 0.7672315 25.33240       0.7707324 24.11908       1.045780  26.77496       1.140304  -2.624443      1.534463  
1 1 1 -6  32 11 o 44.60989 0.7406530 19.90171       0.6598029 21.45861       0.9595873 18.50557       0.9086955 3.303207       1.481306  
1 1 1 -6  32 12 o 80.23444 0.9693275 64.39888       1.550564  61.37175       2.094435  68.07014       2.306533  -4.138008      1.938655  
1 1 1 -6  32 13 f 24.21780 0.8375878 5.883601       0.4048920 5.854934       0.5548270 5.916258       0.5922066 -0.1210861     1.675176  
1 1 1 -6  32 14 f 131.2866 1.449515  174.0437       3.803668  170.6489       5.268849  177.7386       5.496786  -2.641571      2.899030  
1 1 1 -6  32 15 o 19.32398 0.9784932 3.741907       0.3773096 3.404957       0.5200907 4.116281       0.5482119 -1.835611      1.956986  
1 1 1 -6  32 16 o 78.68380 0.9647001 62.20300       1.518008  61.85428       2.131317  62.56202       2.162601  -0.4442444     1.929400  
1 1 1 -6  32 17 o 34.54055 0.7614746 11.93506       0.5250717 12.99550       0.7629300 10.98075       0.7237456 2.910934       1.522949  
1 1 1 -6  32 18 o 45.50689 0.7598237 20.73585       0.6907169 20.03253       0.9488961 21.52851       1.007366  -1.635139      1.519647  
1 1 1 -6  32 19 o 23.93942 0.8625876 5.750216       0.4116600 5.140591       0.5723936 6.403369       0.5924761 -2.634035      1.725175  
1 1 1 -6  32 20 o 9.840165 1.633874  0.9921011      0.3376146 0.5317166      0.4677312 1.492882       0.4878204 -4.618664      3.267749  
1 1 1 -6  32 21 f 17.03473 1.116000  2.921645       0.3798905 2.759066       0.5321289 3.090632       0.5425141 -0.9708595     2.232000  
1 1 1 -6  32 22 o 25.17927 0.9518502 6.464684       0.4696985 5.856434       0.7205026 6.914222       0.6194087 -2.120848      1.903700  
1 1 1 -6  32 23 o 29.23233 1.178556  8.604944       0.6847416 7.357065       0.9453358 9.982323       0.9931763 -4.477798      2.357111  
1 1 1 -6  32 24 f 51.37553 0.9783165 26.62688       0.9547273 26.79362       1.180591  26.31174       1.623020  0.5633430      1.956633  
1 1 1 -6  32 25 o 18.94386 1.049934  3.609915       0.3958869 3.149267       0.5488757 4.109408       0.5715496 -2.528912      2.099869  
1 1 1 -6  32 26 o 28.45725 0.8062718 8.096777       0.4562186 8.448370       0.6889920 7.822263       0.6088046 1.085278       1.612544  
1 1 1 -6  32 27 o 28.24902 0.8180956 8.037991       0.4606338 7.688237       0.6705726 8.350484       0.6338470 -1.179291      1.636191  
1 1 1 -6  32 28 f 25.52610 0.8756716 6.647661       0.4388925 5.272336       0.6272281 7.967081       0.6143477 -5.281185      1.751343  
1 1 1 -6  32 29 o 48.46821 0.7832987 23.58209       0.7586202 23.83970       1.098905  23.34754       1.048566  0.4979210      1.566597  
1 1 1 -6  32 30 f 24.43815 1.776778  5.136641       0.5287164 7.440277       1.780457  4.913854       0.5536928 4.661779       3.553557  
1 1 1 -6  32 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  33 1  f 56.98045 1.091302  32.58450       1.197598  32.36040       1.500992  32.97705       1.986632  -0.4449577     2.182605  
1 1 1 -6  33 2  o 57.93494 1.209690  33.80405       1.400758  35.54097       2.001940  32.13805       1.960647  2.927731       2.419380  
1 1 1 -6  33 3  f 31.12229 1.197689  9.770405       0.7444493 10.09361       1.037500  9.427388       1.068819  1.077175       2.395378  
1 1 1 -6  33 4  o 29.12712 1.069065  8.600459       0.5968391 8.295995       0.9886672 8.775036       0.7486444 -0.8686237     2.138130  
1 1 1 -6  33 5  o 42.45487 0.7348288 18.07522       0.6237134 18.72285       0.8856293 17.43791       0.8785416 1.512341       1.469658  
1 1 1 -6  33 6  o 15.15238 1.211850  2.326671       0.3299447 1.294814       0.4375674 3.686589       0.5023330 -8.010359      2.423699  
1 1 1 -6  33 7  o 15.05495 1.089800  2.300323       0.3252259 2.560296       0.4503465 2.016957       0.4701717 1.808504       2.179599  
1 1 1 -6  33 8  o 22.56515 0.8496428 5.114734       0.3829048 5.448479       0.5431474 4.784985       0.5398856 1.469654       1.699286  
1 1 1 -6  33 9  f 67.09512 0.8697356 45.09227       1.165141  43.42540       1.592610  47.01181       1.709064  -2.653358      1.739471  
1 1 1 -6  33 10 o 40.28627 0.7405934 16.28432       0.5964950 16.62428       0.8385537 15.93610       0.8486801 0.8555489      1.481187  
1 1 1 -6  33 11 o 23.01694 0.8618917 5.310745       0.3955015 4.745751       0.5477930 5.925947       0.5716144 -2.559750      1.723783  
1 1 1 -6  33 12 o 24.55152 0.8411183 6.044247       0.4123435 5.576372       0.5731427 6.546259       0.5936831 -1.971792      1.682237  
1 1 1 -6  33 13 o 20.59063 0.9589596 4.284647       0.3908877 5.022473       0.5558531 3.562820       0.5497940 3.543314       1.917919  
1 1 1 -6  33 14 o 14.25263 1.210564  2.051784       0.3442591 2.111551       0.4752530 1.985802       0.4993522 0.4469709      2.421129  
1 1 1 -6  33 15 o 46.77749 0.7659014 21.85870       0.7145876 20.70164       0.9678655 23.24522       1.059498  -2.704571      1.531803  
1 1 1 -6  33 16 o 27.32728 0.8334618 7.493085       0.4552363 7.351875       0.6305189 7.646852       0.6579601 -0.5349083     1.666924  
1 1 1 -6  33 17 o 61.53177 0.8457146 37.89221       1.038399  36.07200       1.411492  40.03947       1.533066  -3.201332      1.691429  
1 1 1 -6  33 18 o 13.66498 1.700373  1.608880       0.4245159 3.259404       0.7876548 0.9331493      0.5039781 8.504929       3.400747  
1 1 1 -6  33 19 o 53.08768 1.127347  28.22999       1.193206  25.97007       1.614004  30.95380       1.771927  -4.654465      2.254694  
1 1 1 -6  33 20 o 41.60676 0.9401442 17.92337       0.7540224 19.86711       0.9801470 15.10519       1.180201  5.763088       1.880288  
1 1 1 -6  33 21 o 12.00897 1.577170  1.521917       0.3630556 2.177757       0.5240685 0.9167170      0.5034297 5.347823       3.154340  
1 1 1 -6  33 22 o 36.12122 0.7880745 13.04125       0.5679133 14.34289       0.8336838 11.91425       0.7757440 3.351223       1.576149  
1 1 1 -6  33 23 f 71.90475 0.9275941 51.99736       1.333843  52.51250       1.902343  51.49921       1.870731  0.6975708      1.855188  
1 1 1 -6  33 24 o 26.09892 0.8796220 6.799384       0.4548663 5.597644       0.6174685 8.225391       0.6726207 -5.022135      1.759244  
1 1 1 -6  33 25 o 18.77728 1.088392  3.561322       0.4080411 3.381115       0.5833447 3.733964       0.5709689 -0.9429264     2.176784  
1 1 1 -6  33 26 o 15.78171 1.222123  2.622040       0.3689868 2.026163       0.5679080 3.057356       0.4854033 -3.290793      2.444247  
1 1 1 -6  33 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  34 1  o 49.21901 0.7717314 24.21706       0.7577612 23.02345       1.027979  25.63742       1.121374  -2.639957      1.543463  
1 1 1 -6  34 2  o 27.88806 0.7891258 7.733692       0.4377094 6.734744       0.5898674 8.957759       0.6529587 -3.974960      1.578252  
1 1 1 -6  34 3  o 65.16021 0.8598593 42.45673       1.117009  40.37366       1.508351  44.98644       1.662211  -3.511230      1.719719  
1 1 1 -6  34 4  o 30.75933 0.7644679 9.495486       0.4702638 9.569381       0.6633492 9.420828       0.6667709 0.2420387      1.528936  
1 1 1 -6  34 5  o 34.10267 0.7536632 11.50425       0.5103610 10.15127       0.6761914 13.29525       0.7779855 -4.592991      1.507326  
1 1 1 -6  34 6  o 50.09531 0.7734271 25.18881       0.7748468 25.55656       1.096608  24.82214       1.094992  0.7327461      1.546854  
1 1 1 -6  34 7  o 43.39025 0.7540306 18.89045       0.6542149 19.44234       0.9314950 18.35324       0.9190302 1.252930       1.508061  
1 1 1 -6  34 8  o 34.51517 1.006637  12.42731       0.6305139 13.11461       0.7600646 10.91062       1.129087  3.272232       2.013275  
1 1 1 -6  34 9  o 24.65506 1.175359  6.342495       0.5575889 7.188993       0.7298754 5.155996       0.8641112 4.157181       2.350718  
1 1 1 -6  34 10 o 35.19675 1.171274  12.35603       0.8198594 11.07715       1.093293  13.99928       1.239296  -4.112934      2.342548  
1 1 1 -6  34 11 o 39.69825 1.154934  15.85651       0.9152985 15.34731       1.249916  16.44530       1.344061  -1.358795      2.309867  
1 1 1 -6  34 12 o 52.39825 1.170495  27.23408       1.214194  24.62761       1.585161  30.93435       1.888707  -5.939636      2.340989  
1 1 1 -6  34 13 f 28.65150 1.013776  7.893539       0.5408351 9.269323       0.9933389 7.313867       0.6447835 3.334745       2.027551  
1 1 1 -6  34 14 o 21.41553 1.601586  4.613564       0.5968705 4.756500       1.190900  4.565615       0.6897559 0.2722740      3.203172  
1 1 1 -6  34 15 o 49.95461 1.082907  25.14761       1.081331  24.96346       1.551909  25.32138       1.507522  -0.3691444     2.165815  
1 1 1 -6  34 16 o 34.30822 0.9402867 11.31776       0.6101432 10.34757       0.7369593 13.43196       1.087897  -4.418999      1.880573  
1 1 1 -6  34 17 o 54.69024 0.8088986 30.03658       0.8846842 30.65396       1.258622  29.43368       1.243775  1.112797       1.617797  
1 1 1 -6  34 18 o 47.22932 0.7883547 22.35070       0.7438176 21.24626       1.023418  23.58735       1.082937  -2.466999      1.576709  
1 1 1 -6  34 19 o 13.19971 1.364954  1.766857       0.3599508 1.725689       0.5173396 1.805487       0.5011413 -0.3078175     2.729908  
1 1 1 -6  34 20 o 53.36639 0.8167772 28.61048       0.8716538 29.27436       1.240241  27.96250       1.225304  1.226048       1.633554  
1 1 1 -6  34 21 o 34.17324 0.8027575 11.70679       0.5478689 12.62420       0.7930064 10.86904       0.7577995 2.561115       1.605515  
1 1 1 -6  34 22 o 35.83033 1.061921  13.37168       0.7073539 11.69831       1.211576  14.23701       0.8712581 -3.628483      2.123843  
1 1 1 -6  34 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  35 1  o 43.61676 0.7539623 19.08765       0.6575481 19.66272       0.9402397 18.53717       0.9199201 1.286686       1.507925  
1 1 1 -6  35 2  o 33.36339 0.7588915 11.15171       0.5046473 12.50190       0.7305486 9.919411       0.6979268 3.864481       1.517783  
1 1 1 -6  35 3  o 40.06754 0.7566822 16.12041       0.6061546 16.47933       0.8530409 15.75435       0.8614857 0.9061852      1.513364  
1 1 1 -6  35 4  o 36.09792 0.7613332 13.00377       0.5480047 12.03051       0.7415764 14.17464       0.8133827 -2.957088      1.522666  
1 1 1 -6  35 5  o 53.07261 0.7932417 28.27360       0.8417721 27.81297       1.174304  28.76044       1.207271  -0.8864822     1.586483  
1 1 1 -6  35 6  o 34.53321 0.7640015 11.95514       0.5272867 11.40379       0.7308217 12.55379       0.7615172 -1.659538      1.528003  
1 1 1 -6  35 7  o 31.30739 0.7851270 9.836897       0.4905852 10.72680       0.7036951 8.995380       0.6842960 2.761581       1.570254  
1 1 1 -6  35 8  o 59.53323 0.8944123 35.74863       1.061325  33.71788       1.536096  37.60356       1.468092  -3.278038      1.788825  
1 1 1 -6  35 9  o 59.37190 1.136875  35.39623       1.346250  37.84388       1.996620  33.35580       1.822977  3.731522       2.273750  
1 1 1 -6  35 10 o 64.41019 1.187204  41.88606       1.529120  41.36094       2.139469  42.43442       2.186296  -0.8195648     2.374408  
1 1 1 -6  35 11 o 57.37826 0.9854126 33.38546       1.084524  34.01183       1.361129  32.29641       1.794780  1.600639       1.970825  
1 1 1 -6  35 12 o 69.39445 0.8993782 48.41257       1.247842  47.61748       1.738328  49.25783       1.792341  -1.169640      1.798756  
1 1 1 -6  35 13 o 26.91677 0.8359745 7.264793       0.4495295 6.906016       0.6187077 7.665964       0.6542410 -1.404215      1.671949  
1 1 1 -6  35 14 o 52.08160 0.8011624 27.24339       0.8344418 27.75999       1.186409  26.73767       1.173849  0.9789848      1.602325  
1 1 1 -6  35 15 o 35.62560 0.7845789 12.65713       0.5566961 11.21542       0.7551197 14.37363       0.8239501 -4.419342      1.569158  
1 1 1 -6  35 16 o 66.60414 1.087003  45.16039       1.391169  43.10087       2.284025  46.37507       1.754083  -2.597412      2.174006  
1 1 1 -6  35 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  35 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  36 1  o 78.60119 1.897720  0.000000       0.000000  ?              ?         62.56908       2.983260  ?              ?         
1 1 1 -6  36 2  o 44.52491 1.432759  0.000000       0.000000  ?              ?         19.96847       1.275869  ?              ?         
1 1 1 -6  36 3  o 29.11728 1.455759  0.000000       0.000000  ?              ?         8.541643       0.8477550 ?              ?         
1 1 1 -6  36 4  o 41.18158 1.432368  0.000000       0.000000  ?              ?         17.08238       1.179744  ?              ?         
1 1 1 -6  36 5  f 6.109885 2.637432  0.000000       0.000000  ?              ?         -0.4483964E-01 0.5882964 ?              ?         
1 1 1 -6  36 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  36 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  36 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -6  36 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  0  1  o 418.3685 6.153454  1756.008       51.43591  1767.146       73.19424  1745.142       72.29678  -0.000000      0.000000  
1 1 1 -5  0  2  o 120.5916 1.819862  145.1001       4.371068  152.2864       6.496776  139.1567       5.908293  -0.000000      0.000000  
1 1 1 -5  0  3  o 362.9690 5.338651  1320.544       38.70174  1300.571       53.81099  1341.946       55.70308  -0.000000      0.000000  
1 1 1 -5  0  4  o 170.3485 2.535075  290.3126       8.619055  297.9846       12.54241  283.4478       11.86421  -0.000000      0.000000  
1 1 1 -5  0  5  o 195.5623 2.901596  382.9418       11.33334  389.2831       16.30241  377.0105       15.76654  -0.000000      0.000000  
1 1 1 -5  0  6  o 467.5457 6.889141  2160.516       63.46869  2392.550       100.1420  2004.736       82.05311  -0.000000      0.000000  
1 1 1 -5  0  7  o 161.1326 2.401570  260.0445       7.731314  261.6284       11.00537  258.5011       10.86347  -0.000000      0.000000  
1 1 1 -5  0  8  f 149.6767 2.235643  224.3644       6.685162  226.1062       9.534553  222.6801       9.375935  -0.000000      0.000000  
1 1 1 -5  0  9  o 188.8308 2.800322  357.1605       10.56469  359.4395       15.04380  354.9429       14.83975  -0.000000      0.000000  
1 1 1 -5  0  10 o 370.3457 5.466013  1361.789       40.07018  1472.109       61.87202  1282.091       52.58864  -0.000000      0.000000  
1 1 1 -5  0  11 o 225.6905 3.354009  509.9765       15.11805  499.1831       21.00930  521.5670       21.77136  -0.000000      0.000000  
1 1 1 -5  0  12 o 326.2264 4.838610  1066.644       31.53244  1069.483       45.07214  1063.922       44.12998  -0.000000      0.000000  
1 1 1 -5  0  13 o 95.60846 1.475207  91.52114       2.817212  90.39494       3.933805  92.70690       4.036457  -0.000000      0.000000  
1 1 1 -5  0  14 o 358.2025 5.271287  1285.507       37.71980  1299.576       53.99139  1272.093       52.71907  -0.000000      0.000000  
1 1 1 -5  0  15 o 441.9796 6.508282  1952.645       57.33575  1883.909       77.91070  2033.848       84.68185  -0.000000      0.000000  
1 1 1 -5  0  16 o 530.0255 7.784212  2816.551       82.41781  2784.376       115.0722  2850.442       118.0995  -0.000000      0.000000  
1 1 1 -5  0  17 o 225.0404 3.347472  507.2606       15.05135  506.3466       21.31842  508.1691       21.25337  -0.000000      0.000000  
1 1 1 -5  0  18 o 414.0920 6.090424  1713.169       50.24489  1788.169       74.51402  1650.635       68.04044  -0.000000      0.000000  
1 1 1 -5  0  19 o 183.7061 2.745143  337.8583       10.07238  332.8614       14.02197  343.1856       14.47797  -0.000000      0.000000  
1 1 1 -5  0  20 o 578.9682 8.534012  3346.975       98.32542  3186.650       132.1122  3546.056       147.2173  -0.000000      0.000000  
1 1 1 -5  0  21 o 68.14715 1.120745  46.51415       1.525601  46.17450       2.144558  46.86214       2.170731  -0.000000      0.000000  
1 1 1 -5  0  22 f 189.4727 2.816479  359.4662       10.65941  354.8109       14.86466  364.3943       15.29386  -0.000000      0.000000  
1 1 1 -5  0  23 o 201.8397 4.239925  408.0956       17.09888  408.0956       17.09888  408.0956       17.09888  -0.000000      0.000000  
1 1 1 -5  0  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  0  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  0  26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  0  27 o 132.3031 2.837351  175.3399       7.500119  175.3399       7.500119  175.3399       7.500119  -0.000000      0.000000  
1 1 1 -5  0  28 o 112.9755 2.113477  129.1903       4.567195  123.5649       7.555937  132.4288       5.733058  -0.000000      0.000000  
1 1 1 -5  0  29 o 27.60553 1.230120  7.563404       0.6650497 6.172114       0.8788351 9.427776       1.017337  -0.000000      0.000000  
1 1 1 -5  0  30 o 129.5439 1.967780  168.0978       5.092474  166.6625       7.138022  169.5856       7.267412  -0.000000      0.000000  
1 1 1 -5  0  31 f 11.95212 1.373768  1.504373       0.3043667 1.715484       0.4488213 1.324622       0.4141458 -0.000000      0.000000  
1 1 1 -5  0  32 o 39.15094 0.8751866 15.36985       0.6834717 14.73790       0.9574831 16.02639       0.9759311 -0.000000      0.000000  
1 1 1 -5  0  33 f 209.7203 3.118677  440.9463       13.06696  444.0268       18.62745  437.9617       18.33496  -0.000000      0.000000  
1 1 1 -5  0  34 f 285.7020 4.226541  819.5121       24.12689  817.6329       34.03996  821.4093       34.20178  -0.000000      0.000000  
1 1 1 -5  0  35 f 332.1017 4.909867  1108.467       32.57336  1120.249       46.61827  1097.227       45.53230  -0.000000      0.000000  
1 1 1 -5  0  36 o 45.13182 0.9433991 20.37760       0.8482670 21.16410       1.247002  19.70021       1.157278  -0.000000      0.000000  
1 1 1 -5  0  37 o 79.16996 1.300096  62.80254       2.056081  62.45328       2.899936  63.15559       2.915603  -0.000000      0.000000  
1 1 1 -5  0  38 o 110.6643 1.718655  122.6059       3.796465  125.7262       5.509212  119.7841       5.238999  -0.000000      0.000000  
1 1 1 -5  0  39 o 205.8594 3.072472  425.6194       12.63720  426.6326       17.92973  424.6192       17.81423  -0.000000      0.000000  
1 1 1 -5  0  40 o 20.41502 1.048493  4.222184       0.4229121 3.969218       0.5798478 4.509687       0.6181656 -0.000000      0.000000  
1 1 1 -5  0  41 o 10.34540 1.897365  1.271049       0.3398024 1.068378       0.4750039 1.483475       0.4863015 -0.000000      0.000000  
1 1 1 -5  0  42 f 47.36224 0.9698074 22.44626       0.9155864 23.44740       1.340204  21.57008       1.253781  -0.000000      0.000000  
1 1 1 -5  0  43 o 44.35860 0.9597837 19.74135       0.8495896 19.84674       1.214242  19.64027       1.189153  -0.000000      0.000000  
1 1 1 -5  0  44 o 226.0720 3.382989  515.6732       15.28005  512.7058       21.48717  518.7090       21.73343  -0.000000      0.000000  
1 1 1 -5  0  45 o 95.71245 2.171865  92.12416       4.145250  94.55418       5.998655  89.90323       5.734782  -0.000000      0.000000  
1 1 1 -5  0  46 o 122.5591 1.900159  150.8100       4.651595  148.6106       6.494482  153.1268       6.665549  -0.000000      0.000000  
1 1 1 -5  0  47 o 185.5416 2.800071  347.1867       10.37671  342.0931       14.45582  352.6012       14.90423  -0.000000      0.000000  
1 1 1 -5  0  48 o 54.71688 1.067368  29.98036       1.164735  28.78500       1.600621  31.32568       1.698064  -0.000000      0.000000  
1 1 1 -5  0  49 o 39.79590 0.9864302 15.90473       0.7826326 16.17952       1.127822  15.64950       1.086929  -0.000000      0.000000  
1 1 1 -5  0  50 f 21.20962 1.184180  4.575525       0.4949754 4.391848       0.6722832 4.792958       0.7314565 -0.000000      0.000000  
1 1 1 -5  0  51 o 35.98269 0.9985251 13.02249       0.7159886 13.17656       1.027000  12.87680       0.9987139 -0.000000      0.000000  
1 1 1 -5  0  52 f 30.69224 1.037930  9.483302       0.6333786 10.05108       0.9173404 8.966041       0.8755831 -0.000000      0.000000  
1 1 1 -5  0  53 o 40.45444 1.042561  16.39700       0.8385095 17.26406       1.246024  15.67935       1.133597  -0.000000      0.000000  
1 1 1 -5  0  54 o 46.41545 1.060117  21.63992       0.9813719 22.20467       1.415484  21.11718       1.361811  -0.000000      0.000000  
1 1 1 -5  0  55 o 19.65830 1.394279  4.007931       0.5352321 3.586578       0.7579574 4.427014       0.7559119 -0.000000      0.000000  
1 1 1 -5  0  56 f 36.55551 1.065288  13.37161       0.7732758 14.83234       1.148752  12.16129       1.045658  -0.000000      0.000000  
1 1 1 -5  0  57 o 52.91794 1.134821  28.17338       1.198160  27.99702       1.715098  28.34151       1.674538  -0.000000      0.000000  
1 1 1 -5  0  58 o 10.28365 2.910934  0.7010326      0.6158862 3.132689       1.340624  0.5054310E-01  0.6933874 -0.000000      0.000000  
1 1 1 -5  0  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  1  1  o 309.7794 3.240875  958.7545       20.03981  990.4255       29.45042  931.4451       27.34742  9.494019       6.481750  
1 1 1 -5  1  2  o 337.0641 3.854278  1093.239       24.57528  1274.139       43.68066  1009.459       29.72622  39.05981       7.708556  
1 1 1 -5  1  3  o 418.1501 4.360681  1745.160       36.33235  1677.461       48.94344  1828.259       54.22490  -17.94455      8.721362  
1 1 1 -5  1  4  o 216.5428 2.419907  468.4929       10.33590  473.4413       16.04085  464.9799       13.51572  1.930771       4.839814  
1 1 1 -5  1  5  f 363.5128 3.798082  1287.077       26.97510  1166.012       34.05737  1490.881       44.18834  -44.53961      7.596164  
1 1 1 -5  1  6  o 380.6877 3.971935  1437.988       29.99650  1351.386       39.53106  1555.535       46.05535  -26.71582      7.943869  
1 1 1 -5  1  7  o 71.43990 0.8162745 49.99697       1.148623  56.96341       1.826801  45.44212       1.477143  8.062546       1.632549  
1 1 1 -5  1  8  o 251.7391 2.624251  632.6315       13.18565  657.4948       19.40404  611.3008       17.97277  9.160934       5.248503  
1 1 1 -5  1  9  f 258.2835 2.690926  667.5876       13.89993  665.0813       19.56059  670.1442       19.75581  -0.9781494     5.381852  
1 1 1 -5  1  10 o 170.9496 1.797218  292.1032       6.140827  298.5530       8.875673  286.1807       8.505058  3.616287       3.594435  
1 1 1 -5  1  11 o 425.5225 4.433795  1810.217       37.66589  1875.827       55.28750  1753.389       51.45407  14.32935       8.867590  
1 1 1 -5  1  12 o 449.1105 4.690820  2010.985       41.96758  2125.703       62.78927  1918.353       56.42223  22.99661       9.381640  
1 1 1 -5  1  13 o 269.0898 2.800398  722.6273       15.03813  751.2413       22.16223  698.2101       20.47240  9.842316       5.600796  
1 1 1 -5  1  14 o 122.6987 1.310795  150.5626       3.216631  150.0901       4.537723  151.0398       4.560368  -0.3869247     2.621590  
1 1 1 -5  1  15 o 531.6864 5.524682  2816.062       58.47872  2985.329       87.88163  2681.551       78.34098  28.47046       11.04936  
1 1 1 -5  1  16 o 181.2163 2.200486  328.0459       7.965173  320.4595       10.94364  336.5919       11.61525  -4.448410      4.400973  
1 1 1 -5  1  17 o 442.3752 4.604256  1955.076       40.66294  1894.428       55.54848  2025.095       59.68640  -14.73215      9.208511  
1 1 1 -5  1  18 o 523.9695 5.931103  2736.096       61.05890  2828.050       96.49505  2674.693       78.85262  14.42841       11.86221  
1 1 1 -5  1  19 o 380.7295 3.954134  1450.836       30.10864  1448.615       42.44724  1453.086       42.71410  -0.5850525     7.908269  
1 1 1 -5  1  20 o 204.5519 2.663494  411.1651       10.00932  437.3204       18.47115  400.2919       11.90948  9.013123       5.326988  
1 1 1 -5  1  21 o 471.9796 6.972103  2222.584       65.50948  2111.593       87.72404  2362.513       98.49789  -26.39438      13.94421  
1 1 1 -5  1  22 o 186.8764 2.776635  347.3321       10.32477  369.5173       15.57173  329.9270       13.79249  10.57878       5.553271  
1 1 1 -5  1  23 o 271.5972 4.001809  738.7171       21.73753  739.7724       30.78924  737.6683       30.69400  0.3861389      8.003617  
1 1 1 -5  1  24 o 96.28949 1.284151  93.99134       2.390947  98.04967       3.053882  87.56398       3.843215  5.448616       2.568301  
1 1 1 -5  1  25 o 200.5435 2.104806  400.6264       8.409112  421.6038       12.57212  383.6435       11.31201  9.452637       4.209611  
1 1 1 -5  1  26 o 390.9157 4.062367  1531.734       31.76005  1525.556       44.72431  1538.020       45.10916  -1.586273      8.124735  
1 1 1 -5  1  27 o 55.18839 0.8496106 30.77055       0.8950250 31.53622       1.118109  29.40481       1.493307  1.932873       1.699221  
1 1 1 -5  1  28 o 213.1772 3.159964  455.2169       13.46994  460.7461       19.28318  449.9481       18.82388  2.522644       6.319928  
1 1 1 -5  1  29 o 46.63383 0.9062862 20.99940       0.8277646 18.22306       1.048556  25.59133       1.348509  -7.897964      1.812572  
1 1 1 -5  1  30 o 142.8271 2.154158  204.1780       6.152821  202.3200       8.627433  206.1012       8.777308  -1.321136      4.308316  
1 1 1 -5  1  31 o 63.53844 0.9567734 38.37626       1.090619  44.92554       2.139452  36.07682       1.267700  6.956585       1.913547  
1 1 1 -5  1  32 o 81.61246 0.9307432 66.20671       1.512291  62.54231       2.024996  70.82771       2.274003  -5.073982      1.861486  
1 1 1 -5  1  33 o 78.02687 0.9005136 60.85232       1.404546  59.63933       1.948408  62.16454       2.026550  -1.617493      1.801027  
1 1 1 -5  1  34 o 171.5101 1.814488  294.4357       6.223798  292.9743       8.753820  295.9296       8.850534  -0.8596954     3.628976  
1 1 1 -5  1  35 o 107.0729 1.176998  114.6972       2.520470  114.9568       3.573325  114.4401       3.555706  0.2410355      2.353996  
1 1 1 -5  1  36 o 35.36226 0.6409236 12.09462       0.4456418 9.832746       0.5748206 15.50225       0.7055439 -8.015179      1.281847  
1 1 1 -5  1  37 o 92.19244 1.036791  84.98499       1.910811  83.45197       2.654250  86.63425       2.753048  -1.724258      2.073581  
1 1 1 -5  1  38 o 157.4993 1.675807  248.1585       5.274048  242.4353       7.276289  254.4936       7.655406  -3.816193      3.351613  
1 1 1 -5  1  39 o 112.5998 1.233947  126.4804       2.771489  121.3469       3.758163  132.6008       4.103523  -4.987625      2.467895  
1 1 1 -5  1  40 o 82.72064 0.9516632 68.33158       1.572046  70.97338       2.301561  66.02123       2.152349  2.989426       1.903326  
1 1 1 -5  1  41 o 96.37001 1.079272  92.38387       2.070097  87.37038       2.767824  98.74854       3.118580  -5.890938      2.158544  
1 1 1 -5  1  42 o 96.62149 1.082615  93.46937       2.092069  93.29682       2.953614  93.64307       2.963676  -0.1787796     2.165229  
1 1 1 -5  1  43 o 92.41000 1.045493  85.43542       1.930943  83.53731       2.671333  87.51240       2.794350  -2.145081      2.090987  
1 1 1 -5  1  44 o 33.51331 0.6574666 11.23668       0.4405814 11.17853       0.6159670 11.29760       0.6304372 -0.1771812     1.314933  
1 1 1 -5  1  45 o 52.28098 1.029818  27.25928       1.074416  25.53703       1.462244  29.28015       1.583951  -3.573147      2.059635  
1 1 1 -5  1  46 o 95.25422 1.080662  90.84470       2.057680  89.13370       2.854964  92.69430       2.968345  -1.861984      2.161324  
1 1 1 -5  1  47 o 40.41100 0.6802952 16.29846       0.5490146 15.45168       0.7522168 17.26375       0.8031291 -2.239677      1.360590  
1 1 1 -5  1  48 o 56.63462 0.7640702 32.10901       0.8654073 32.49485       1.231608  31.73271       1.216277  0.6720161      1.528140  
1 1 1 -5  1  49 o 40.48201 0.7060897 16.34053       0.5703977 15.41688       0.7756492 17.42824       0.8417245 -2.480385      1.412179  
1 1 1 -5  1  50 o 21.23470 0.8184195 4.469907       0.3416244 5.763411       0.5106844 3.422230       0.4596026 5.508760       1.636839  
1 1 1 -5  1  51 o 55.04287 0.7718320 30.31001       0.8489882 31.34671       1.231382  29.37071       1.172111  1.790169       1.543664  
1 1 1 -5  1  52 f 50.71649 0.7462450 25.75603       0.7567467 25.25031       1.055780  26.29036       1.085231  -1.022854      1.492490  
1 1 1 -5  1  53 o 31.20986 0.7458137 9.738247       0.4648817 9.061573       0.6420310 10.48403       0.6740188 -2.275852      1.491627  
1 1 1 -5  1  54 o 44.54237 0.7409966 19.78871       0.6585392 21.37352       0.9720976 18.44449       0.8952693 3.280193       1.481993  
1 1 1 -5  1  55 o 49.52431 0.7653408 24.49201       0.7565439 26.14603       1.113292  23.07281       1.031242  3.093647       1.530682  
1 1 1 -5  1  56 o 33.91477 0.7688626 11.52287       0.5213163 11.92629       0.7488537 11.14352       0.7261744 1.151356       1.537725  
1 1 1 -5  1  57 f 25.76344 1.051057  6.520835       0.5106081 7.129173       0.9022262 6.234176       0.6193357 1.685297       2.102114  
1 1 1 -5  1  58 o 20.71782 1.930801  4.174211       0.6966483 4.785957       1.422706  3.981270       0.7989901 1.731409       3.861602  
1 1 1 -5  1  59 o 18.07199 2.110918  2.927299       0.6927847 2.221120       0.8123879 4.810004       1.326469  -7.159602      4.221836  
1 1 1 -5  1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  2  1  o 85.05370 0.9355976 71.91893       1.584101  76.63449       2.382951  68.18502       2.120468  4.966217       1.871195  
1 1 1 -5  2  2  o 226.3916 2.365840  512.8162       10.71161  514.8520       15.23543  510.8262       15.06305  0.8875885      4.731679  
1 1 1 -5  2  3  o 253.1357 2.635230  638.6124       13.29438  611.8442       17.92379  671.3481       19.82128  -11.73454      5.270460  
1 1 1 -5  2  4  o 55.82899 0.6595702 31.03568       0.7342255 29.54003       0.9924320 32.84416       1.091299  -2.958908      1.319140  
1 1 1 -5  2  5  f 335.7931 3.501221  1127.882       23.49279  1155.084       34.09375  1103.288       32.41726  7.690491       7.002441  
1 1 1 -5  2  6  o 166.0750 1.749042  274.4860       5.782771  290.0250       8.687766  262.1247       7.748704  8.393753       3.498085  
1 1 1 -5  2  7  o 373.4258 4.133694  1400.449       30.76526  1348.447       44.92359  1446.380       42.21949  -13.15454      8.267387  
1 1 1 -5  2  8  o 59.97187 0.7039442 35.96630       0.8442997 36.15211       1.200778  35.78462       1.187375  0.3063507      1.407888  
1 1 1 -5  2  9  f 124.9195 1.330832  156.0493       3.324398  157.5622       4.752745  154.6000       4.651700  1.185165       2.661664  
1 1 1 -5  2  10 o 296.5403 3.085315  880.1924       18.29839  879.1316       25.88345  881.2524       25.87221  -0.3577271     6.170631  
1 1 1 -5  2  11 o 396.7039 4.511395  1535.471       34.27636  1717.010       58.85559  1442.297       42.16469  34.38452       9.022789  
1 1 1 -5  2  12 o 416.2102 4.331173  1722.361       35.81828  1839.604       54.47879  1633.092       47.53720  24.72684       8.662346  
1 1 1 -5  2  13 o 306.7793 3.190288  941.1339       19.56386  959.5588       28.22610  924.0988       27.14076  5.771637       6.380575  
1 1 1 -5  2  14 o 340.5754 3.547911  1160.680       24.16625  1153.871       34.06364  1167.580       34.28996  -2.011047      7.095821  
1 1 1 -5  2  15 o 133.7458 1.421724  178.7180       3.799841  183.1074       5.510122  174.7377       5.247095  3.128296       2.843448  
1 1 1 -5  2  16 f 201.7903 2.987472  406.4484       12.03328  421.6748       17.69219  393.3413       16.41478  7.013428       5.974944  
1 1 1 -5  2  17 o 507.4702 7.449292  2580.052       75.52903  2519.314       104.0471  2647.709       109.8145  -12.56711      14.89858  
1 1 1 -5  2  18 o 236.1316 3.489967  557.8746       16.47962  552.9457       23.08078  563.0004       23.53732  -2.125900      6.979934  
1 1 1 -5  2  19 o 439.6529 6.468369  1937.643       56.87640  1928.298       80.32226  1947.041       80.54899  -2.128479      12.93674  
1 1 1 -5  2  20 o 450.0379 6.609465  2006.242       58.85604  1872.764       76.83820  2195.733       91.55173  -35.66168      13.21893  
1 1 1 -5  2  21 o 47.13530 0.7834945 20.05975       0.6448050 18.09233       0.7332906 26.76789       1.354031  -9.201584      1.566989  
1 1 1 -5  2  22 o 180.1757 1.892849  324.6843       6.820151  327.4869       9.732552  321.9800       9.560061  1.527267       3.785698  
1 1 1 -5  2  23 o 195.2376 2.047014  381.3194       7.992964  382.5381       11.34065  380.1165       11.26722  0.6196442      4.094027  
1 1 1 -5  2  24 f 112.0618 1.212194  124.7974       2.702884  133.2272       4.078370  118.1950       3.609366  6.704910       2.424388  
1 1 1 -5  2  25 o 165.5452 1.748534  273.4515       5.777090  263.8925       7.869643  284.6235       8.507688  -6.256363      3.497069  
1 1 1 -5  2  26 o 330.6782 3.438363  1095.167       22.73587  1084.352       31.80072  1106.474       32.51803  -3.332031      6.876727  
1 1 1 -5  2  27 o 26.95781 0.5744134 7.242126       0.3089768 6.595978       0.4242620 7.971862       0.4508694 -2.551830      1.148827  
1 1 1 -5  2  28 o 60.33741 0.7377773 36.37753       0.8897927 35.49802       1.232911  37.33358       1.285446  -1.520805      1.475555  
1 1 1 -5  2  29 o 422.6248 4.398656  1792.724       37.15750  1828.672       53.66819  1759.627       51.49636  8.091766       8.797312  
1 1 1 -5  2  30 o 292.0729 3.747786  850.4547       20.43220  841.2239       24.72428  870.3379       36.28649  -4.650696      7.495572  
1 1 1 -5  2  31 o 76.19830 1.245595  58.07214       1.898065  58.90792       2.706747  57.26356       2.662341  1.078537       2.491191  
1 1 1 -5  2  32 o 209.8895 3.117961  441.4719       13.08434  435.6839       18.23051  447.6208       18.79028  -2.827835      6.235923  
1 1 1 -5  2  33 o 47.25949 0.9311664 22.30998       0.8795336 23.24670       1.271773  21.45124       1.217686  1.899086       1.862333  
1 1 1 -5  2  34 o 116.2532 1.547652  134.9880       3.384218  136.0087       5.901029  134.4878       4.131084  0.6249619      3.095304  
1 1 1 -5  2  35 o 146.9773 1.568807  216.1536       4.610628  218.4019       6.600389  214.0110       6.443275  1.490860       3.137614  
1 1 1 -5  2  36 o 68.46484 0.8246069 46.88512       1.129104  47.14604       1.603628  46.62861       1.590048  0.3777237      1.649214  
1 1 1 -5  2  37 o 27.84305 0.6601374 7.622669       0.3630187 9.565275       0.5509731 6.132457       0.4825718 6.163866       1.320275  
1 1 1 -5  2  38 f 87.70872 0.9951508 76.96967       1.745666  76.96162       2.470554  76.97770       2.466939  -0.9239197E-02 1.990302  
1 1 1 -5  2  39 o 80.45158 0.9324642 64.71178       1.499550  66.20607       2.164468  63.33258       2.079455  1.784019       1.864928  
1 1 1 -5  2  40 o 111.3130 1.221217  123.5834       2.710630  129.8816       4.025139  118.3568       3.666704  5.164490       2.442434  
1 1 1 -5  2  41 o 52.26498 0.7091457 27.26045       0.7402429 28.66441       1.082150  26.02578       1.014814  2.522697       1.418291  
1 1 1 -5  2  42 o 26.64789 0.6681293 7.051590       0.3544550 6.204852       0.4802338 8.064895       0.5253489 -3.488914      1.336259  
1 1 1 -5  2  43 o 108.8793 1.201282  118.7607       2.615847  118.3499       3.686174  119.1773       3.712702  -0.3785477     2.402564  
1 1 1 -5  2  44 o 84.59105 0.9779418 71.59987       1.653736  73.24439       2.383435  70.07317       2.296461  1.870338       1.955884  
1 1 1 -5  2  45 o 61.76595 1.121487  38.16889       1.384022  39.39341       2.012549  37.07017       1.906369  1.874310       2.242975  
1 1 1 -5  2  46 o 99.89708 1.124721  99.68958       2.241686  95.78699       3.045059  104.3070       3.312208  -4.246948      2.249441  
1 1 1 -5  2  47 f 32.70980 0.6796108 10.69530       0.4442159 10.10084       0.6170219 11.33496       0.6400427 -1.885380      1.359222  
1 1 1 -5  2  48 o 63.02306 0.8102421 39.49010       1.016867  36.84954       1.362773  42.80718       1.527402  -4.716881      1.620484  
1 1 1 -5  2  49 o 19.02715 0.8816070 3.615454       0.3349408 3.371703       0.4595835 3.891582       0.4891539 -1.363970      1.763214  
1 1 1 -5  2  50 o 32.15349 0.7070978 10.35287       0.4542021 11.01280       0.6471909 9.712374       0.6375941 2.021568       1.414196  
1 1 1 -5  2  51 o 29.15485 0.7328385 8.511710       0.4269519 8.039341       0.5984209 9.001457       0.6093290 -1.649172      1.465677  
1 1 1 -5  2  52 o 46.58552 0.7275199 21.73198       0.6776944 21.39047       0.9465643 22.09114       0.9707007 -0.7500038     1.455040  
1 1 1 -5  2  53 o 60.82823 0.8135182 36.85618       0.9860282 39.80345       1.474178  34.47018       1.326407  4.368587       1.627036  
1 1 1 -5  2  54 o 19.49289 0.9468428 3.817706       0.3686331 4.004113       0.5178279 3.626176       0.5248957 0.9703331      1.893686  
1 1 1 -5  2  55 o 53.42242 1.152592  28.49540       1.224034  30.44974       1.856966  26.99385       1.627695  3.196056       2.305184  
1 1 1 -5  2  56 f 27.34242 1.262987  7.478966       0.6837511 7.866959       1.054515  7.197512       0.8981400 1.193579       2.525974  
1 1 1 -5  2  57 o 12.16316 1.616489  1.546588       0.3815550 1.253998       0.5483525 1.821216       0.5312542 -2.534123      3.232978  
1 1 1 -5  2  58 o 19.85300 1.165130  4.039317       0.4524031 3.560353       0.6913489 4.398009       0.5982838 -2.128763      2.330260  
1 1 1 -5  2  59 o 23.24561 1.926031  5.692090       0.7418221 5.844321       0.8470829 5.191205       1.536538  1.651371       3.852062  
1 1 1 -5  2  60 o 10.48279 3.671179  1.034744       0.9526316 1.034744       0.9526316 ?              ?         ?              ?         
1 1 1 -5  2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  3  1  o 134.3093 1.422972  180.4055       3.821975  178.9087       5.359049  181.9549       5.452335  -1.133499      2.845944  
1 1 1 -5  3  2  o 205.8186 2.149600  423.3911       8.840864  414.1414       12.20243  433.6115       12.82665  -4.724884      4.299199  
1 1 1 -5  3  3  f 395.7720 4.490391  1568.413       35.09564  1577.813       54.17148  1561.614       46.07192  1.910736       8.980783  
1 1 1 -5  3  4  o 314.0938 3.287647  982.2176       20.55575  934.9406       27.52163  1041.866       30.91356  -16.97952      6.575294  
1 1 1 -5  3  5  f 323.8068 3.374857  1049.727       21.85553  1043.126       30.78153  1056.438       31.03682  -2.052307      6.749713  
1 1 1 -5  3  6  o 335.9199 3.504561  1118.582       23.33707  1212.105       35.96438  1050.562       30.67121  23.97562       7.009121  
1 1 1 -5  3  7  o 138.1864 1.462588  190.9459       4.041278  188.7025       5.643562  193.3070       5.789700  -1.665237      2.925176  
1 1 1 -5  3  8  o 130.9745 1.390773  170.5755       3.625458  181.3652       5.458967  162.0611       4.849345  7.366364       2.781546  
1 1 1 -5  3  9  o 457.7693 4.765051  2078.505       43.24444  2259.645       66.63786  1946.725       56.83825  34.01459       9.530102  
1 1 1 -5  3  10 o 395.7134 4.130151  1567.313       32.65963  1592.216       47.31625  1544.651       45.13620  5.980835       8.260302  
1 1 1 -5  3  11 o 337.7943 3.517600  1131.437       23.55784  1220.776       36.26361  1066.206       30.98686  22.82675       7.035201  
1 1 1 -5  3  12 o 373.2637 3.887988  1386.405       28.88396  1316.155       38.63040  1475.473       43.49757  -21.29614      7.775975  
1 1 1 -5  3  13 o 476.5056 6.217937  2189.875       52.82417  2465.340       103.8139  2093.637       61.36180  38.47562       12.43587  
1 1 1 -5  3  14 o 95.83806 1.476476  91.45327       2.819921  87.35844       3.799628  96.47422       4.207421  -4.754707      2.952952  
1 1 1 -5  3  15 o 395.5468 5.807368  1565.409       45.89202  1606.150       66.77728  1528.944       63.17470  9.721008       11.61474  
1 1 1 -5  3  16 o 372.5383 5.468817  1390.081       40.74672  1392.110       57.71812  1388.065       57.53146  0.5409241      10.93763  
1 1 1 -5  3  17 o 200.6387 2.566307  403.8266       9.762084  406.2545       12.04218  399.1724       16.67248  1.787888       5.132614  
1 1 1 -5  3  18 f 532.9440 5.539408  2844.875       59.03723  2822.883       82.75562  2867.667       84.24685  -4.184998      11.07882  
1 1 1 -5  3  19 f 332.4433 3.452712  1105.857       22.95448  1097.506       32.20008  1114.486       32.73151  -2.549835      6.905424  
1 1 1 -5  3  20 f 559.0710 5.815833  3120.234       64.81155  2989.705       87.47472  3279.099       96.50377  -25.75665      11.63167  
1 1 1 -5  3  21 o 62.72991 0.7480435 39.27657       0.9373620 40.85874       1.367334  37.87373       1.287523  2.379097       1.496087  
1 1 1 -5  3  22 o 179.1065 1.887223  320.4806       6.752250  328.8465       9.837630  313.0289       9.284598  4.412537       3.774445  
1 1 1 -5  3  23 o 384.3211 3.995105  1478.142       30.68656  1509.939       44.40193  1449.068       42.45800  7.892273       7.990210  
1 1 1 -5  3  24 o 112.8384 1.225459  127.3438       2.765520  126.8490       3.895839  127.8463       3.926411  -0.4417496     2.450918  
1 1 1 -5  3  25 o 258.5450 2.697157  668.6236       13.93797  656.2217       19.30679  682.1221       20.14229  -4.998138      5.394314  
1 1 1 -5  3  26 o 97.65208 1.073738  95.10577       2.092309  99.22472       3.086517  91.60368       2.846033  3.900726       2.147476  
1 1 1 -5  3  27 o 223.1426 2.334531  497.7198       10.40655  484.9929       14.30949  512.0075       15.16161  -6.040741      4.669063  
1 1 1 -5  3  28 o 173.4737 1.829616  301.0678       6.346559  304.7574       9.084592  297.5504       8.870034  2.074356       3.659232  
1 1 1 -5  3  29 o 132.5631 1.418769  174.7094       3.742157  165.6627       4.997138  186.2605       5.646594  -7.761581      2.837537  
1 1 1 -5  3  30 o 372.0590 3.875473  1388.834       28.83741  1391.258       40.93933  1386.447       40.62696  0.6371155      7.750947  
1 1 1 -5  3  31 o 115.1738 1.249332  132.3745       2.872118  137.6499       4.224583  127.8406       3.916471  4.255180       2.498665  
1 1 1 -5  3  32 o 318.4263 3.318357  1016.824       21.13260  1013.189       29.77072  1020.516       30.00264  -1.143341      6.636714  
1 1 1 -5  3  33 o 92.01677 1.029882  84.68105       1.895103  85.65570       2.705685  83.74245       2.655190  1.039101       2.059764  
1 1 1 -5  3  34 o 109.3466 1.463404  120.8378       3.072728  124.0912       3.869200  115.2820       5.056151  4.046974       2.926809  
1 1 1 -5  3  35 o 99.40459 1.557394  98.88744       3.096035  98.28076       4.348508  99.51110       4.409029  -0.6177216     3.114789  
1 1 1 -5  3  36 o 190.9690 2.850162  365.1521       10.86672  378.2177       15.94401  353.8180       14.84999  6.342850       5.700323  
1 1 1 -5  3  37 o 73.59612 1.230719  54.15997       1.810637  55.51216       2.611065  52.90745       2.513004  1.767609       2.461438  
1 1 1 -5  3  38 o 98.31524 1.358559  93.33522       2.407532  104.6634       4.644000  89.17170       2.815408  7.828979       2.717118  
1 1 1 -5  3  39 o 171.1934 1.814856  293.4623       6.209224  300.0978       8.990871  287.4117       8.585485  3.687729       3.629713  
1 1 1 -5  3  40 f 94.76478 1.063801  89.84081       2.015430  91.48657       2.899687  88.30268       2.803256  1.676895       2.127601  
1 1 1 -5  3  41 o 92.64758 1.044675  85.90765       1.935448  86.87875       2.765989  84.97602       2.709168  1.024864       2.089349  
1 1 1 -5  3  42 o 75.36369 0.8921524 56.78458       1.343619  55.39206       1.855295  58.32045       1.948454  -1.939590      1.784305  
1 1 1 -5  3  43 o 69.85867 0.8522384 48.13956       1.178905  44.11779       1.540802  53.81852       1.830934  -6.931946      1.704477  
1 1 1 -5  3  44 o 45.21105 0.6929854 20.43953       0.6263790 21.17245       0.8990202 19.74809       0.8732108 1.574348       1.385971  
1 1 1 -5  3  45 o 40.35869 0.9598215 15.98181       0.7668803 19.12751       1.185608  13.71898       1.005562  6.691250       1.919643  
1 1 1 -5  3  46 o 124.4946 1.358821  155.3847       3.381829  158.2380       4.870423  152.7283       4.699417  2.198975       2.717642  
1 1 1 -5  3  47 o 44.94307 0.6970591 20.16902       0.6257886 21.32296       0.9121606 19.14298       0.8601273 2.422729       1.394118  
1 1 1 -5  3  48 o 103.6035 1.162237  107.3464       2.403052  111.9729       3.541321  103.3979       3.271546  4.114983       2.324474  
1 1 1 -5  3  49 o 119.1786 1.313355  142.5604       3.129388  144.9051       4.497666  140.3602       4.356935  1.891060       2.626710  
1 1 1 -5  3  50 o 31.60033 0.7298268 9.652648       0.4523966 7.582249       0.5842506 12.75270       0.7149181 -8.171724      1.459654  
1 1 1 -5  3  51 o 17.62850 1.060166  3.074708       0.3677919 3.353517       0.5838811 2.891313       0.4735503 1.298595       2.120333  
1 1 1 -5  3  52 o 68.44608 1.094301  47.21405       1.400695  46.51968       2.455187  47.54911       1.705472  -0.8458176     2.188601  
1 1 1 -5  3  53 o 52.77650 1.132934  27.75370       1.187575  29.87757       1.811515  26.15297       1.572667  3.493740       2.265868  
1 1 1 -5  3  54 o 21.61881 1.384898  4.688580       0.5867107 4.806113       0.9327515 4.611632       0.7547122 0.4162865      2.769795  
1 1 1 -5  3  55 o 45.15160 0.7625927 20.41334       0.6878625 20.87958       1.001183  19.99648       0.9466728 0.9718552      1.525185  
1 1 1 -5  3  56 o 33.86383 0.7807300 11.42441       0.5267111 12.34398       0.7886218 10.68387       0.7076961 2.441147       1.561460  
1 1 1 -5  3  57 o 32.46277 0.8145364 10.51504       0.5273799 11.45985       0.7807243 9.722107       0.7152280 2.667128       1.629073  
1 1 1 -5  3  58 o 46.52402 0.9554667 21.10905       0.8300223 23.51239       1.501033  20.05050       0.9961827 3.634052       1.910933  
1 1 1 -5  3  59 o 22.60563 1.928797  5.258365       0.7342717 5.295700       0.8395655 5.136894       1.514363  0.5979385      3.857594  
1 1 1 -5  3  60 f 47.37875 1.627077  22.63275       1.541777  22.63275       1.541777  ?              ?         ?              ?         
1 1 1 -5  3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  4  1  o 382.1979 4.606694  1364.921       33.14826  1193.758       39.65452  1761.977       60.39676  -73.97873      9.213388  
1 1 1 -5  4  2  f 182.8678 1.920512  334.4093       7.021620  329.9413       9.779649  339.1630       10.08765  -2.519180      3.841023  
1 1 1 -5  4  3  o 214.4858 2.243612  457.3779       9.572991  487.3339       14.46098  434.0097       12.77226  12.41658       4.487223  
1 1 1 -5  4  4  o 315.4669 3.288736  995.7677       20.73972  1013.298       29.89069  979.4932       28.80048  5.344543       6.577472  
1 1 1 -5  4  5  o 441.7678 5.039961  1923.708       43.20406  2090.135       71.46734  1827.858       54.23670  29.36490       10.07992  
1 1 1 -5  4  6  o 194.3214 2.035378  375.1105       7.861988  400.9111       11.93218  355.3160       10.45144  11.72087       4.070755  
1 1 1 -5  4  7  o 274.3945 2.855062  753.5111       15.66779  757.2325       22.26279  749.8593       22.05389  1.341400       5.710124  
1 1 1 -5  4  8  f 253.3828 2.645909  633.3685       13.24731  587.8421       17.21310  699.5072       20.74696  -22.00310      5.291817  
1 1 1 -5  4  9  o 190.7077 2.479319  354.0009       8.567183  387.1907       16.29419  341.3201       10.07170  11.97893       4.958638  
1 1 1 -5  4  10 o 248.1276 3.323711  618.8323       16.29956  598.1250       24.81616  634.5432       21.61592  -7.367645      6.647422  
1 1 1 -5  4  11 o 435.8910 6.441212  1827.803       54.10983  1637.866       66.71365  2192.985       92.50481  -63.28500      12.88242  
1 1 1 -5  4  12 o 367.0790 5.396950  1340.434       39.39308  1268.908       52.44198  1433.057       59.67711  -22.27930      10.79390  
1 1 1 -5  4  13 o 437.9957 6.504442  1592.880       48.03995  1356.591       53.44102  2587.789       109.6592  -139.8620      13.00888  
1 1 1 -5  4  14 o 530.1163 7.104430  2830.338       74.97417  3017.512       103.5866  2624.404       108.6538  37.14304       14.20886  
1 1 1 -5  4  15 o 162.4852 1.856760  262.8768       5.938280  257.5938       7.703527  270.6129       9.322051  -4.000580      3.713519  
1 1 1 -5  4  16 o 247.7121 3.650995  613.8552       18.08265  605.9058       25.21138  622.2773       25.95005  -3.299286      7.301990  
1 1 1 -5  4  17 o 505.7466 5.713107  2541.688       56.55036  2661.286       90.68410  2465.586       72.33856  19.14011       11.42621  
1 1 1 -5  4  18 o 406.2025 4.217510  1650.880       34.24896  1679.375       49.29832  1624.297       47.61615  6.765015       8.435020  
1 1 1 -5  4  19 o 223.6322 2.334858  497.7306       10.39710  474.7758       13.94431  526.4692       15.60246  -11.54890      4.669716  
1 1 1 -5  4  20 o 463.7520 4.811286  2153.040       44.60250  2118.581       61.92107  2190.198       64.30116  -7.692352      9.622573  
1 1 1 -5  4  21 o 283.5544 2.951290  804.1884       16.72952  817.4413       24.09300  791.8488       23.24786  4.505707       5.902581  
1 1 1 -5  4  22 o 168.5835 1.776489  284.2771       5.989578  283.1289       8.433958  285.4454       8.507608  -0.6866150     3.552978  
1 1 1 -5  4  23 o 263.2324 2.746112  691.4943       14.42046  719.8429       21.31928  667.5851       19.57891  9.908234       5.492223  
1 1 1 -5  4  24 o 130.1933 1.392081  168.4652       3.606023  159.6310       4.814404  179.7551       5.442545  -7.724678      2.784162  
1 1 1 -5  4  25 o 35.03609 0.5739797 12.27053       0.4020445 12.45724       0.5782427 12.09580       0.5593801 0.5157585      1.147959  
1 1 1 -5  4  26 o 207.8900 2.177862  432.0784       9.047324  422.6237       12.48865  442.5207       13.12473  -4.777542      4.355724  
1 1 1 -5  4  27 o 219.7011 2.298598  483.1419       10.09957  485.8872       14.36997  480.4620       14.19750  1.232010       4.597196  
1 1 1 -5  4  28 o 104.2512 1.139618  108.4072       2.370819  104.3993       3.225520  113.1170       3.496543  -4.178711      2.279236  
1 1 1 -5  4  29 o 144.7907 1.541020  209.7440       4.462297  210.8742       6.347547  208.6397       6.274372  0.7707062      3.082040  
1 1 1 -5  4  30 o 57.55820 0.7280130 32.75409       0.8317896 30.19687       1.097452  36.20617       1.275090  -5.219166      1.456026  
1 1 1 -5  4  31 o 213.5749 2.238775  456.2797       9.555174  466.9238       13.85056  446.6133       13.19908  4.742050       4.477549  
1 1 1 -5  4  32 f 344.8177 3.592269  1192.831       24.76925  1181.242       34.64585  1204.946       35.42515  -3.410919      7.184539  
1 1 1 -5  4  33 o 251.0894 2.627276  631.6923       13.19286  627.6508       18.53794  635.8398       18.77945  -1.624069      5.254551  
1 1 1 -5  4  34 o 152.2260 1.623060  231.8701       4.940398  234.3281       7.073441  229.5289       6.903223  1.573242       3.246120  
1 1 1 -5  4  35 o 192.8068 2.030249  372.2948       7.828902  372.8143       11.08504  371.7777       11.05848  0.2681274      4.060498  
1 1 1 -5  4  36 o 82.81734 0.9497629 68.60084       1.572927  69.38483       2.246940  67.84747       2.202630  0.9275208      1.899526  
1 1 1 -5  4  37 o 96.41879 1.303056  94.61395       2.442497  100.6855       3.166818  85.69892       3.837396  7.786301       2.606112  
1 1 1 -5  4  38 o 78.42648 1.288615  61.37874       2.016976  64.41820       2.972298  58.78449       2.745994  3.585457       2.577231  
1 1 1 -5  4  39 f 47.13290 0.9525054 22.15103       0.8959577 21.07684       1.219142  23.41249       1.321147  -2.475300      1.905011  
1 1 1 -5  4  40 o 94.37973 1.501356  88.58240       2.817528  83.43839       3.749041  95.25833       4.270953  -6.237770      3.002711  
1 1 1 -5  4  41 o 62.47295 0.9677015 38.03676       1.112136  41.66814       2.060856  36.54472       1.320998  4.076317       1.935403  
1 1 1 -5  4  42 o 115.3169 1.264545  132.9305       2.911363  138.0788       4.272510  128.4678       3.977843  4.151680       2.529090  
1 1 1 -5  4  43 o 56.51653 0.7497973 31.95619       0.8474055 32.49731       1.210397  31.43598       1.186777  0.9381447      1.499595  
1 1 1 -5  4  44 f 58.51547 1.075848  34.22524       1.257029  33.10524       1.719542  35.51073       1.842205  -2.048744      2.151696  
1 1 1 -5  4  45 f 97.56490 1.186973  95.61725       2.302926  97.62865       3.114151  93.18978       3.421105  2.294716       2.373946  
1 1 1 -5  4  46 o 35.94279 0.6865155 12.71007       0.4892615 10.94999       0.6462579 15.07343       0.7488671 -5.731754      1.373031  
1 1 1 -5  4  47 f 68.06485 0.8548561 46.37595       1.163151  46.99047       1.675460  45.80425       1.616038  0.8678207      1.709712  
1 1 1 -5  4  48 o 47.25628 0.7282609 21.91667       0.6806116 25.43007       1.063949  19.48302       0.8854958 6.282230       1.456522  
1 1 1 -5  4  49 o 96.62401 1.104462  93.59409       2.133466  95.21124       3.070768  92.08514       2.966295  1.607643       2.208924  
1 1 1 -5  4  50 o 38.92047 0.9286766 14.84215       0.6595268 16.02161       1.235502  14.37212       0.7799490 2.077007       1.857353  
1 1 1 -5  4  51 o 99.87657 1.624801  100.4670       3.244032  97.84282       4.503217  103.2979       4.677240  -2.700615      3.249602  
1 1 1 -5  4  52 o 24.08728 1.061999  5.904518       0.4883076 6.109646       0.6118829 5.544758       0.8103302 1.197187       2.123998  
1 1 1 -5  4  53 o 63.85260 0.8488544 40.84978       1.083306  41.68277       1.566564  40.08640       1.499675  1.242588       1.697709  
1 1 1 -5  4  54 o 18.25998 1.019389  3.335556       0.3715470 3.549035       0.5467202 3.152348       0.5064778 1.080578       2.038778  
1 1 1 -5  4  55 f 32.57326 0.7759235 10.47507       0.5016042 12.13012       0.7675335 9.241224       0.6627062 4.422556       1.551847  
1 1 1 -5  4  56 o 12.24093 1.510400  1.496829       0.3534378 2.147635       0.5466737 1.029424       0.4632860 4.709805       3.020801  
1 1 1 -5  4  57 o 52.53308 0.8166444 27.62777       0.8562950 28.61089       1.259319  26.78232       1.167819  1.727226       1.633289  
1 1 1 -5  4  58 o 13.97691 1.593427  1.961386       0.4414838 2.109779       0.6797023 1.853096       0.5806400 0.8892660      3.186854  
1 1 1 -5  4  59 o 38.98630 1.504087  15.47489       1.042460  15.57472       1.223884  15.21105       1.989709  0.6889572      3.008173  
1 1 1 -5  4  60 f 42.03487 1.598952  17.81211       1.344235  17.81211       1.344235  ?              ?         ?              ?         
1 1 1 -5  4  61 o 25.90126 2.668881  6.861997       1.382547  6.861997       1.382547  ?              ?         ?              ?         
1 1 1 -5  4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  5  1  o 395.8670 4.136801  1537.523       32.17272  1410.206       41.14200  1737.931       51.61771  -41.24063      8.273602  
1 1 1 -5  5  2  o 96.74060 1.135975  92.56979       2.185619  106.1224       3.289882  81.86259       2.924196  12.53713       2.271950  
1 1 1 -5  5  3  o 88.96948 0.9776043 78.97121       1.735856  76.39795       2.364788  81.97767       2.556102  -3.135086      1.955209  
1 1 1 -5  5  4  f 459.3927 4.784085  2111.912       43.90361  2179.504       63.99515  2051.813       60.34378  13.83698       9.568171  
1 1 1 -5  5  5  o 296.2257 3.083718  878.2092       18.26758  872.4619       25.61546  884.1570       26.05876  -1.969360      6.167436  
1 1 1 -5  5  6  o 72.83511 0.9997770 53.23878       1.384048  52.45917       2.349617  53.65303       1.712730  -0.8216095     1.999554  
1 1 1 -5  5  7  o 366.6196 5.391911  1344.144       39.44833  1300.294       53.70444  1395.528       58.13537  -12.91483      10.78382  
1 1 1 -5  5  8  o 187.5786 2.777159  350.8304       10.38741  337.0772       14.05341  367.3923       15.42180  -8.070007      5.554317  
1 1 1 -5  5  9  o 382.9010 5.626113  1455.783       42.74176  1573.525       65.57540  1368.814       56.35820  26.60330       11.25223  
1 1 1 -5  5  10 o 532.9772 6.656598  2886.828       69.41270  3061.808       90.93864  2642.579       107.4410  39.56561       13.31320  
1 1 1 -5  5  11 o 355.2948 3.693105  1262.940       26.23527  1277.340       37.63681  1249.330       36.58990  3.934235       7.386210  
1 1 1 -5  5  12 o 570.9460 5.969087  3243.172       67.76865  3068.211       90.22499  3469.646       102.6517  -35.01892      11.93817  
1 1 1 -5  5  13 o 527.4470 5.488121  2763.273       57.51091  2598.750       76.24062  2980.491       87.60356  -36.07339      10.97624  
1 1 1 -5  5  14 o 354.3654 4.264919  1236.310       29.81890  1139.786       38.56014  1379.899       47.03075  -33.81082      8.529838  
1 1 1 -5  5  15 o 222.5207 2.324932  494.4283       10.33047  510.0557       15.12557  480.7656       14.14287  6.576965       4.649864  
1 1 1 -5  5  16 o 138.3303 1.603334  187.2660       4.271126  206.2977       7.220675  177.0231       5.297224  10.57529       3.206667  
1 1 1 -5  5  17 o 451.5971 4.687183  2024.691       42.01502  1910.535       55.50742  2177.841       64.29226  -29.51120      9.374366  
1 1 1 -5  5  18 o 536.7863 5.595738  2817.279       58.74995  3213.967       95.74832  2577.751       74.40217  58.99643       11.19148  
1 1 1 -5  5  19 o 98.80633 1.183159  95.42490       2.256284  105.8820       3.798809  89.72525       2.804559  8.173080       2.366317  
1 1 1 -5  5  20 o 283.1313 2.948202  801.7783       16.68684  814.5558       24.03644  789.8907       23.18415  4.348877       5.896404  
1 1 1 -5  5  21 o 249.5085 2.601152  622.8893       12.97975  625.5750       18.44599  620.2556       18.26760  1.064529       5.202304  
1 1 1 -5  5  22 o 187.5354 1.971251  351.2932       7.384051  361.9478       10.77558  341.8608       10.13874  5.351074       3.942503  
1 1 1 -5  5  23 o 264.4518 2.755953  699.9584       14.57619  697.8994       20.55821  702.0399       20.66992  -0.7815552     5.511905  
1 1 1 -5  5  24 o 124.0691 1.331402  153.7000       3.299143  149.1735       4.524588  158.8387       4.820879  -3.893188      2.662804  
1 1 1 -5  5  25 o 173.3777 1.829677  300.6407       6.342488  296.5901       8.837408  304.9431       9.107977  -2.406235      3.659354  
1 1 1 -5  5  26 o 383.6237 3.990759  1475.247       30.60877  1455.767       42.63622  1495.965       43.96922  -5.206116      7.981518  
1 1 1 -5  5  27 o 209.8177 2.198885  439.6538       9.209149  456.2301       13.54167  425.3916       12.56096  7.333069       4.397770  
1 1 1 -5  5  28 o 171.6302 1.811083  294.7850       6.216650  293.8477       8.764807  295.7338       8.818785  -0.5486755     3.622166  
1 1 1 -5  5  29 o 53.26194 0.6881503 27.43787       0.7182415 33.16059       1.167729  23.95538       0.9109327 8.640079       1.376301  
1 1 1 -5  5  30 o 139.5590 1.489664  194.6290       4.153766  189.8193       5.722590  199.9848       6.038779  -3.638107      2.979328  
1 1 1 -5  5  31 o 116.2191 1.260433  134.6905       2.922260  129.4278       3.965865  140.9424       4.322532  -4.949730      2.520866  
1 1 1 -5  5  32 o 78.00893 0.9042295 60.45581       1.403632  57.02192       1.874476  64.83901       2.117790  -5.008240      1.808459  
1 1 1 -5  5  33 o 144.3223 1.542191  208.2679       4.448405  204.0560       6.155903  212.8709       6.435389  -3.049240      3.084381  
1 1 1 -5  5  34 o 37.03120 0.6410164 13.36375       0.4686334 11.27178       0.6091406 16.39762       0.7335635 -6.920029      1.282033  
1 1 1 -5  5  35 f 101.5839 1.123000  103.1782       2.280473  105.2477       3.287409  101.2585       3.166161  1.961594       2.246000  
1 1 1 -5  5  36 o 74.98885 0.8837847 55.44924       1.312068  50.95016       1.713922  61.81866       2.039293  -7.242149      1.767569  
1 1 1 -5  5  37 o 158.8494 1.689348  252.6535       5.366056  255.4481       7.677298  249.9842       7.503197  1.714371       3.378696  
1 1 1 -5  5  38 o 95.05070 1.065874  90.26597       2.023760  93.23752       2.951694  87.62997       2.780067  2.945633       2.131748  
1 1 1 -5  5  39 o 133.4645 1.437803  178.3534       3.836972  180.7154       5.499987  176.1139       5.355492  1.718307       2.875606  
1 1 1 -5  5  40 f 152.9672 1.635369  234.5631       5.003131  234.2661       7.062518  234.8622       7.088546  -0.1934662     3.270739  
1 1 1 -5  5  41 o 16.58328 1.013104  2.779579       0.3176777 2.837229       0.3923188 2.669797       0.5413883 0.5100956      2.026209  
1 1 1 -5  5  42 o 30.78794 0.9070994 9.480561       0.5583091 9.202620       0.7758780 9.779023       0.8040098 -0.9349651     1.814199  
1 1 1 -5  5  43 o 25.11827 0.9805493 6.316968       0.4924529 6.302209       0.6878700 6.332485       0.7053252 -0.5946350E-01 1.961099  
1 1 1 -5  5  44 f 47.07804 0.8964866 22.12256       0.8276022 22.52770       1.311531  21.85451       1.066818  0.7035255      1.792973  
1 1 1 -5  5  45 o 68.42514 0.8607854 46.81812       1.177260  45.15030       1.631067  48.63185       1.700923  -2.540688      1.721571  
1 1 1 -5  5  46 o 47.38511 0.7188678 22.46780       0.6810727 22.76185       0.9773805 22.19024       0.9495853 0.6018295      1.437736  
1 1 1 -5  5  47 f 41.88169 0.8913465 15.91495       0.6505755 21.03089       1.367741  14.41902       0.7396006 7.854324       1.782693  
1 1 1 -5  5  48 o 88.52753 1.466571  78.72876       2.595343  79.62672       3.738423  77.89333       3.605900  0.9632645      2.933143  
1 1 1 -5  5  49 o 11.82288 1.831834  1.559252       0.4749961 0.2977583      0.7142444 2.559591       0.6360302 -8.271155      3.663667  
1 1 1 -5  5  50 o 58.60096 0.8078617 34.10904       0.9420655 37.41177       1.422207  31.52696       1.257507  5.007301       1.615723  
1 1 1 -5  5  51 o 15.23445 1.144084  2.390220       0.3367454 1.701328       0.4801353 3.057145       0.4724182 -4.450775      2.288168  
1 1 1 -5  5  52 o 52.41530 0.7690884 27.32763       0.8025835 29.64214       1.207416  25.49545       1.074265  3.943111       1.538177  
1 1 1 -5  5  53 o 40.16124 0.7535482 16.15488       0.6043085 14.93353       0.8434916 17.44288       0.8662034 -3.121819      1.507096  
1 1 1 -5  5  54 o 70.92867 0.9045486 50.22456       1.278567  53.30471       1.908679  47.71737       1.722026  3.915001       1.809097  
1 1 1 -5  5  55 o 47.31779 0.7729917 22.42173       0.7306020 22.89655       1.064643  21.99909       1.004438  0.9414673      1.545983  
1 1 1 -5  5  56 o 55.30704 0.8224463 30.52422       0.9072862 27.99213       1.233672  33.50703       1.338980  -4.971062      1.644893  
1 1 1 -5  5  57 o 20.03951 1.041437  4.059145       0.4143921 3.518388       0.5882077 4.591999       0.5838940 -2.679523      2.082873  
1 1 1 -5  5  58 o 18.19944 1.385735  3.334457       0.4994429 3.427347       0.7661173 3.265802       0.6586415 0.4158382      2.771470  
1 1 1 -5  5  59 o 25.40717 1.205577  6.418552       0.6060541 7.910289       0.9128238 5.242627       0.8104585 5.225145       2.411154  
1 1 1 -5  5  60 o 53.18564 1.499347  29.04535       1.472213  29.65486       1.780758  27.72917       2.616834  2.082237       2.998694  
1 1 1 -5  5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  5  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  6  1  f 266.5728 2.791218  706.0359       14.79138  668.4022       19.66838  755.0287       22.44112  -16.22626      5.582436  
1 1 1 -5  6  2  o 450.6660 5.657918  2062.271       49.53978  1919.871       78.62679  2156.015       63.79517  -26.43704      11.31584  
1 1 1 -5  6  3  o 101.6189 1.339865  104.4500       2.629290  98.61752       4.256789  108.0478       3.343292  -4.643456      2.679729  
1 1 1 -5  6  4  o 366.6319 5.389010  1343.687       39.42806  1398.468       58.12535  1296.998       53.66121  13.77130       10.77802  
1 1 1 -5  6  5  o 225.3528 3.333693  501.0262       14.83278  466.1452       19.23439  552.2047       23.29845  -19.05844      6.667386  
1 1 1 -5  6  6  o 267.6432 3.941703  707.3277       20.85040  657.7666       27.11534  779.0281       32.61411  -22.59955      7.883405  
1 1 1 -5  6  7  o 74.94456 0.9988669 55.34796       1.475604  70.46960       2.225838  43.49104       1.970969  17.99844       1.997734  
1 1 1 -5  6  8  f 294.9623 3.070839  869.7670       18.10106  852.9327       25.01064  888.2834       26.23042  -5.984497      6.141678  
1 1 1 -5  6  9  o 93.65148 1.033986  87.54430       1.933697  84.88878       2.647707  90.57974       2.830785  -3.038010      2.067971  
1 1 1 -5  6  10 o 192.0736 2.013767  368.6873       7.729752  361.5712       10.68302  376.5064       11.19821  -3.885971      4.027534  
1 1 1 -5  6  11 o 428.2538 4.462409  1835.571       38.21588  1816.804       53.52322  1855.090       54.58320  -4.461334      8.924819  
1 1 1 -5  6  12 f 511.3575 7.513269  2555.618       75.12022  2935.129       122.6503  2327.790       95.02992  58.99951       15.02654  
1 1 1 -5  6  13 o 340.6805 3.543461  1160.481       24.12562  1138.606       33.36000  1184.466       34.93182  -6.719940      7.086921  
1 1 1 -5  6  14 o 473.9592 4.919586  2240.258       46.47556  2145.536       62.70801  2355.698       69.22725  -22.10797      9.839172  
1 1 1 -5  6  15 o 347.6677 5.110002  1210.439       35.52975  1204.625       49.94372  1216.396       50.55518  -1.686737      10.22000  
1 1 1 -5  6  16 o 171.3371 1.804213  293.0070       6.171161  284.1673       8.427539  303.2270       9.061596  -5.559708      3.608426  
1 1 1 -5  6  17 o 528.9618 5.502078  2803.277       58.20684  2794.385       82.03841  2812.290       82.59826  -1.685547      11.00416  
1 1 1 -5  6  18 o 613.5175 6.963423  3724.770       83.05968  3993.508       136.3430  3566.180       104.7385  34.28546       13.92685  
1 1 1 -5  6  19 o 369.8248 3.842079  1368.295       28.40042  1395.389       41.03328  1343.380       39.34821  7.013947       7.684159  
1 1 1 -5  6  20 o 123.0193 1.320872  151.3093       3.248988  149.2831       4.532171  153.4514       4.660022  -1.693634      2.641744  
1 1 1 -5  6  21 o 433.9049 4.524986  1880.900       39.14625  1819.907       52.96982  1954.302       58.10868  -15.40640      9.049972  
1 1 1 -5  6  22 o 259.0141 2.701107  671.0038       13.98468  683.7166       20.18438  659.2672       19.39395  4.711182       5.402214  
1 1 1 -5  6  23 o 424.4913 4.426747  1799.700       37.43747  1733.648       50.41064  1880.931       55.90355  -17.23602      8.853495  
1 1 1 -5  6  24 o 201.2261 2.109077  404.9376       8.483686  397.8994       11.77417  412.5369       12.23455  -3.631989      4.218154  
1 1 1 -5  6  25 o 214.3462 2.245313  459.7790       9.624702  455.9605       13.50733  463.7175       13.71788  -1.806656      4.490626  
1 1 1 -5  6  26 o 296.7116 3.091888  881.5653       18.33916  896.1559       26.42697  868.0118       25.47044  4.722168       6.183776  
1 1 1 -5  6  27 o 268.6437 2.802157  722.8602       15.05372  729.2078       21.49500  716.7499       21.08914  2.309631       5.604314  
1 1 1 -5  6  28 o 129.7582 1.393977  167.0512       3.593062  180.0103       5.477633  157.2642       4.760266  8.756889       2.787954  
1 1 1 -5  6  29 o 266.2917 2.778798  710.1589       14.79615  702.0317       20.66634  718.7059       21.19344  -3.119202      5.557596  
1 1 1 -5  6  30 o 146.8466 1.563351  214.8189       4.574444  226.3762       6.830568  205.4200       6.159788  7.126160       3.126702  
1 1 1 -5  6  31 o 231.8881 2.428740  538.1415       11.25657  527.6199       15.58539  549.6154       16.27541  -4.727005      4.857480  
1 1 1 -5  6  32 o 188.2727 1.982228  354.6656       7.460273  348.6693       10.35664  361.1327       10.75550  -3.301773      3.964456  
1 1 1 -5  6  33 o 92.28999 1.036374  84.06218       1.893008  92.92050       2.944427  77.82102       2.471483  8.174965       2.072748  
1 1 1 -5  6  34 o 212.4241 2.230611  451.9411       9.475117  447.2886       13.25465  456.8032       13.54990  -2.231277      4.461222  
1 1 1 -5  6  35 o 66.68956 0.8174227 43.53251       1.073916  49.97634       1.707845  39.31821       1.381143  7.986824       1.634845  
1 1 1 -5  6  36 o 39.41284 0.6555775 15.53405       0.5166782 15.68378       0.7387174 15.39064       0.7229252 0.3717117      1.311155  
1 1 1 -5  6  37 o 155.2620 1.654374  241.4365       5.136985  242.6514       7.307133  240.2494       7.223182  0.7706604      3.308748  
1 1 1 -5  6  38 o 195.0806 2.058945  381.5522       8.031240  386.2919       11.51112  377.0568       11.21062  2.352158       4.117891  
1 1 1 -5  6  39 o 124.6376 1.353674  154.6728       3.358803  146.7099       4.497367  164.7161       5.050782  -7.201370      2.707347  
1 1 1 -5  6  40 o 109.9340 1.211485  121.0168       2.663534  121.6644       3.789520  120.3844       3.744494  0.5803604      2.422970  
1 1 1 -5  6  41 o 43.31467 0.6723740 18.60142       0.5794868 20.48453       0.8753379 17.13223       0.7731743 3.867031       1.344748  
1 1 1 -5  6  42 o 68.38768 0.8397342 46.80869       1.148523  46.47601       1.617807  47.14672       1.630786  -0.4898911     1.679468  
1 1 1 -5  6  43 o 79.25489 0.9359214 62.85561       1.482984  61.69259       2.063490  64.09800       2.132735  -1.514343      1.871843  
1 1 1 -5  6  44 o 187.0975 2.468463  346.8964       8.472385  337.5781       10.07310  369.4281       15.66365  -7.780579      4.936926  
1 1 1 -5  6  45 f 23.17934 1.522347  0.000000       0.000000  ?              ?         5.383127       0.7057399 ?              ?         
1 1 1 -5  6  46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  6  47 o 71.77013 1.767704  51.67484       2.537368  51.67484       2.537368  ?              ?         ?              ?         
1 1 1 -5  6  48 o 46.26567 0.8710440 21.15559       0.7582839 22.28694       1.335162  20.61693       0.9212828 1.774940       1.742088  
1 1 1 -5  6  49 o 45.10375 0.7254128 20.35357       0.6540010 19.43463       0.9107705 21.33181       0.9397020 -2.101139      1.450826  
1 1 1 -5  6  50 o 50.07894 0.7533975 25.08845       0.7538480 25.83107       1.095848  24.42132       1.038654  1.403011       1.506795  
1 1 1 -5  6  51 o 24.14943 0.8170185 5.728578       0.3905971 6.926551       0.6013384 4.854255       0.5137258 4.282419       1.634037  
1 1 1 -5  6  52 f 56.92365 0.8025026 32.47603       0.9134220 32.54005       1.306297  32.41479       1.277725  0.1071434      1.605005  
1 1 1 -5  6  53 o 35.62726 0.7490087 12.59717       0.5307970 13.93478       0.8034679 11.56131       0.7070605 3.321178       1.498017  
1 1 1 -5  6  54 o 33.93076 0.7692664 11.52775       0.5212382 11.76547       0.7615884 11.31828       0.7149084 0.6538048      1.538533  
1 1 1 -5  6  55 f 25.50624 0.8569059 6.502095       0.4361866 6.895093       0.6432237 6.167515       0.5934951 1.419798       1.713812  
1 1 1 -5  6  56 o 40.60963 0.7900625 16.49950       0.6406631 17.28813       0.9389933 15.81263       0.8763191 1.808071       1.580125  
1 1 1 -5  6  57 o 48.34544 0.9344861 23.37277       0.9013799 21.36669       1.232099  25.68280       1.322147  -4.448902      1.868972  
1 1 1 -5  6  58 o 62.91814 1.217342  39.91072       1.531685  40.02599       2.151846  39.79234       2.180701  0.1924896      2.434683  
1 1 1 -5  6  59 o 8.861888 2.093081  0.6678512      0.4569769 1.188266       0.6921403 0.2656865      0.6084450 3.542064       4.186161  
1 1 1 -5  6  60 o 11.32948 2.639539  1.354151       0.6611865 1.576162       0.7448140 0.5287081      1.436165  1.629954       5.279079  
1 1 1 -5  6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  7  1  o 442.6289 9.185988  0.000000       0.000000  ?              ?         1964.018       81.31967  ?              ?         
1 1 1 -5  7  2  o 309.7617 4.559900  953.6115       28.07622  900.9553       37.31045  1022.356       42.63086  -19.54547      9.119800  
1 1 1 -5  7  3  o 468.6745 5.920906  2217.146       53.03849  2257.248       66.24483  2145.534       88.52419  12.18661       11.84181  
1 1 1 -5  7  4  o 432.1398 4.485786  1856.779       38.53220  1981.031       58.47334  1761.410       51.22812  25.34503       8.971572  
1 1 1 -5  7  5  o 599.1182 6.254363  3587.768       74.78069  3461.444       101.8211  3735.697       110.1851  -22.78485      12.50873  
1 1 1 -5  7  6  o 289.9913 3.023139  839.7847       17.50411  815.8633       23.94101  867.2585       25.65709  -8.851563      6.046278  
1 1 1 -5  7  7  f 114.1711 1.227868  129.3969       2.786531  138.7495       4.231152  122.2337       3.702957  7.231682       2.455735  
1 1 1 -5  7  8  o 497.9601 5.174963  2483.012       51.53773  2472.266       72.64354  2493.903       73.12962  -2.167938      10.34993  
1 1 1 -5  7  9  o 378.3763 3.929000  1430.739       29.69691  1473.355       43.29330  1392.868       40.81198  10.61795       7.858001  
1 1 1 -5  7  10 o 543.4513 7.995306  2950.338       86.56371  3104.587       129.3928  2825.374       116.4645  25.49664       15.99061  
1 1 1 -5  7  11 o 161.0569 1.704917  257.6288       5.457854  275.0512       8.285321  244.2731       7.254190  9.551697       3.409835  
1 1 1 -5  7  12 o 506.7556 5.261262  2562.062       53.14432  2687.225       79.12229  2459.181       71.73448  22.42447       10.52252  
1 1 1 -5  7  13 o 450.2357 4.673312  2026.574       42.02989  2087.566       61.29343  1972.443       57.74376  12.75198       9.346623  
1 1 1 -5  7  14 f 380.8686 3.952810  1451.768       30.10765  1461.760       42.90095  1442.071       42.26351  2.579651       7.905620  
1 1 1 -5  7  15 o 258.5513 2.695980  668.1548       13.92903  683.0508       20.20167  654.6556       19.23138  5.485703       5.391960  
1 1 1 -5  7  16 o 398.7906 4.136956  1587.772       32.91803  1532.948       44.75730  1652.372       48.58405  -14.93698      8.273911  
1 1 1 -5  7  17 o 78.15594 0.8869818 60.98658       1.384754  59.17690       1.902096  63.02732       2.019882  -2.463036      1.773964  
1 1 1 -5  7  18 f 93.40223 1.032917  86.50442       1.916803  81.19775       2.540826  93.51368       2.920118  -6.591873      2.065835  
1 1 1 -5  7  19 o 196.2796 2.058536  385.3974       8.080961  384.8078       11.41765  385.9891       11.43879  -0.3007965     4.117071  
1 1 1 -5  7  20 o 440.6788 4.574027  1945.216       40.29966  1972.752       57.90351  1919.348       56.12284  6.031006       9.148054  
1 1 1 -5  7  21 f 68.87709 0.8161741 47.35058       1.122982  45.57953       1.542846  49.34603       1.637666  -2.733910      1.632348  
1 1 1 -5  7  22 o 462.9886 4.809824  2149.292       44.52602  2178.316       63.85890  2121.831       62.11586  6.061890       9.619647  
1 1 1 -5  7  23 o 247.7244 2.585281  613.9894       12.80384  623.9063       18.41540  604.7095       17.81429  3.866623       5.170562  
1 1 1 -5  7  24 o 192.2621 2.018653  369.4142       7.753783  360.2190       10.67156  379.6972       11.28516  -5.058365      4.037307  
1 1 1 -5  7  25 o 373.4346 3.884107  1398.269       29.00434  1385.126       40.57867  1411.997       41.47261  -3.574524      7.768214  
1 1 1 -5  7  26 o 178.1921 1.877819  317.2058       6.682230  327.5970       9.775777  308.0925       9.154944  5.463821       3.755637  
1 1 1 -5  7  27 o 101.0360 1.109284  101.7174       2.234640  106.9247       3.320933  97.40874       3.020854  4.706512       2.218568  
1 1 1 -5  7  28 o 251.7159 2.628466  634.4026       13.22949  627.0089       18.47355  642.1863       18.95435  -3.004944      5.256932  
1 1 1 -5  7  29 o 129.0366 1.388336  165.0624       3.555963  178.5671       5.444203  155.0141       4.696104  9.117569       2.776672  
1 1 1 -5  7  30 o 228.9969 2.399541  525.0206       10.98695  531.8206       15.75233  518.5787       15.33197  2.882019       4.799082  
1 1 1 -5  7  31 o 176.6297 1.866413  311.2826       6.575946  299.2946       8.919798  325.5557       9.732895  -7.418823      3.732825  
1 1 1 -5  7  32 o 65.02348 0.7969314 41.63367       1.025607  46.79927       1.596886  38.00689       1.338055  6.758678       1.593863  
1 1 1 -5  7  33 o 101.4838 1.123557  102.9672       2.279268  104.9748       3.287817  101.1097       3.162573  1.902649       2.247115  
1 1 1 -5  7  34 o 199.3365 2.098238  398.0166       8.364705  400.0996       11.89937  395.9818       11.76080  1.028824       4.196477  
1 1 1 -5  7  35 o 143.1101 1.531231  205.0100       4.382501  203.7711       6.162792  206.2775       6.233397  -0.8739624     3.062463  
1 1 1 -5  7  36 o 110.5517 1.217573  120.2496       2.657075  110.3785       3.439532  134.8587       4.184359  -11.05497      2.435145  
1 1 1 -5  7  37 o 40.12453 0.6620682 16.08270       0.5309132 16.67916       0.7690038 15.53947       0.7338764 1.419670       1.324136  
1 1 1 -5  7  38 o 194.4045 2.052649  378.9774       7.978250  373.6449       11.11319  384.6486       11.46074  -2.811172      4.105298  
1 1 1 -5  7  39 o 20.02406 0.7790664 3.958764       0.3078409 4.991568       0.4627728 3.138992       0.4122925 4.624622       1.558133  
1 1 1 -5  7  40 f 96.67671 1.086326  93.46584       2.098446  95.91221       3.048556  91.26295       2.892863  2.398621       2.172653  
1 1 1 -5  7  41 o 61.97503 0.7885821 38.39785       0.9768613 37.28912       1.353121  39.60469       1.411723  -1.866154      1.577164  
1 1 1 -5  7  42 o 83.44006 1.192064  70.33815       1.889212  67.85357       3.193352  71.67599       2.343278  -2.336800      2.384128  
1 1 1 -5  7  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  7  44 f 54.48731 1.080409  29.72365       1.175970  30.11729       1.710058  29.37049       1.619759  0.6799278      2.160818  
1 1 1 -5  7  45 o 129.2911 1.523234  167.9285       3.902483  168.3963       5.183493  167.3164       5.929275  0.4893341      3.046468  
1 1 1 -5  7  46 o 12.98612 1.142508  1.677290       0.2955278 1.855745       0.4423741 1.533455       0.3971524 1.237279       2.285017  
1 1 1 -5  7  47 o 120.8326 1.330890  146.1775       3.209064  152.3003       4.732646  140.9664       4.366087  4.651665       2.661780  
1 1 1 -5  7  48 o 46.87008 0.8807933 22.47549       0.8036346 24.52731       1.054115  19.62777       1.241842  5.240875       1.761587  
1 1 1 -5  7  49 o 52.12720 1.047973  27.22161       1.091580  26.44751       1.505383  28.07993       1.585158  -1.557377      2.095947  
1 1 1 -5  7  50 o 48.65926 1.030106  23.75459       1.002417  23.89216       1.412077  23.61482       1.423252  0.2862129      2.060213  
1 1 1 -5  7  51 o 38.50486 0.8757196 14.79010       0.6437789 15.11244       1.092006  14.61839       0.7970117 0.6112633      1.751439  
1 1 1 -5  7  52 o 14.46969 1.189995  2.104552       0.3423060 2.105826       0.5129930 2.103528       0.4595861 -0.3528595E-03 2.379989  
1 1 1 -5  7  53 o 16.80477 1.110100  2.850677       0.3713436 2.612697       0.5353161 3.071415       0.5155594 -1.367836      2.220200  
1 1 1 -5  7  54 o 43.24706 0.7670326 18.75642       0.6627670 17.71861       0.9343289 19.80751       0.9402878 -2.414410      1.534065  
1 1 1 -5  7  55 f 40.93693 0.7659202 16.72851       0.6252480 17.75309       0.9286696 15.87898       0.8456219 2.278820       1.531840  
1 1 1 -5  7  56 o 24.99975 0.8964273 6.340897       0.4431090 5.379236       0.6376845 7.238765       0.6161707 -3.722454      1.792855  
1 1 1 -5  7  57 o 31.98226 1.009135  10.01447       0.6352422 11.82278       1.014792  8.849306       0.8145833 4.611959       2.018269  
1 1 1 -5  7  58 o 24.86771 1.249678  6.214504       0.6188485 7.080046       0.9034395 5.449368       0.8494238 3.265331       2.499357  
1 1 1 -5  7  59 o 43.98759 1.110773  19.44082       0.9757646 18.25554       1.339385  20.78137       1.424416  -2.850231      2.221545  
1 1 1 -5  7  60 o 67.13368 1.694788  44.85352       2.011944  43.70753       2.337133  48.13360       3.953964  -2.698158      3.389576  
1 1 1 -5  7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  8  1  o 471.4208 6.941926  2222.386       65.29426  2153.292       88.78040  2303.792       96.36526  -15.86624      13.88385  
1 1 1 -5  8  2  o 68.78748 1.133325  47.31649       1.559108  46.83907       2.193493  47.80398       2.216512  -0.7013245     2.266650  
1 1 1 -5  8  3  o 252.2448 3.725194  635.6950       18.76631  655.1411       27.42913  618.5819       25.73130  7.235214       7.450388  
1 1 1 -5  8  4  o 204.8259 2.631224  418.4584       10.11424  423.2315       17.73231  416.1568       12.31375  1.701355       5.262448  
1 1 1 -5  8  5  o 573.1389 7.267947  3305.580       79.50160  3254.389       133.7098  3333.575       98.87841  -7.366333      14.53589  
1 1 1 -5  8  6  o 449.9471 5.421128  2021.402       48.68080  1936.974       66.26761  2120.375       71.74870  -20.32532      10.84226  
1 1 1 -5  8  7  o 537.8933 7.921018  2879.375       84.65019  3101.039       128.9188  2711.372       112.2347  35.97388       15.84204  
1 1 1 -5  8  8  o 346.1567 4.150387  1198.857       28.72375  1217.430       41.27803  1181.421       39.99537  5.191162       8.300775  
1 1 1 -5  8  9  o 441.3937 4.898006  1951.673       43.17445  1817.345       60.71597  2089.070       61.40564  -30.77374      9.796012  
1 1 1 -5  8  10 o 518.3909 5.381204  2685.749       55.68779  2601.368       76.03330  2783.391       81.79031  -17.49582      10.76241  
1 1 1 -5  8  11 o 425.0981 4.413021  1803.151       37.41668  1734.254       50.71692  1885.439       55.42651  -17.74118      8.826041  
1 1 1 -5  8  12 o 216.1358 2.261173  466.1988       9.754906  451.1977       13.30262  483.6492       14.34761  -7.502441      4.522346  
1 1 1 -5  8  13 o 511.1633 5.334309  2609.558       54.35659  2527.658       73.49600  2708.447       80.76009  -17.60324      10.66862  
1 1 1 -5  8  14 o 229.8517 2.771697  527.7239       12.72421  513.3046       17.45754  544.0656       18.58481  -6.684555      5.543393  
1 1 1 -5  8  15 o 552.1752 5.733650  3052.083       63.24669  3129.905       92.10070  2982.634       87.00528  13.26495       11.46730  
1 1 1 -5  8  16 o 495.2045 5.151144  2453.954       50.95330  2517.062       74.29021  2397.897       70.01716  11.97403       10.30229  
1 1 1 -5  8  17 f 106.6087 1.168949  113.6633       2.492184  113.9207       3.549963  113.4132       3.499539  0.2378769      2.337899  
1 1 1 -5  8  18 o 385.5881 4.002889  1487.699       30.84775  1458.233       42.68120  1519.926       44.63497  -7.975098      8.005777  
1 1 1 -5  8  19 o 506.1206 5.261683  2566.529       53.22322  2513.177       73.62396  2624.931       77.02948  -10.97614      10.52337  
1 1 1 -5  8  20 o 106.2727 1.162956  112.3439       2.461641  119.4778       3.689081  106.6180       3.305063  6.048576       2.325911  
1 1 1 -5  8  21 o 583.8342 6.071751  3423.639       70.87245  3475.615       101.8735  3374.889       98.66127  8.536011       12.14350  
1 1 1 -5  8  22 o 188.7338 1.982610  354.7637       7.454296  339.0416       10.02433  374.2119       11.14907  -9.305893      3.965219  
1 1 1 -5  8  23 o 48.40771 0.6581190 22.73963       0.6266946 19.67678       0.8027059 27.52090       1.002917  -8.101368      1.316238  
1 1 1 -5  8  24 o 196.3864 2.061172  385.8364       8.093092  380.4731       11.27435  391.5379       11.62439  -2.812271      4.122345  
1 1 1 -5  8  25 f 107.0559 1.166219  114.5979       2.496157  116.2994       3.586682  112.9997       3.476112  1.540138       2.332437  
1 1 1 -5  8  26 o 92.32843 1.027349  84.58771       1.885347  91.17390       2.864798  79.55585       2.504036  6.288704       2.054698  
1 1 1 -5  8  27 f 169.4685 1.789511  287.3981       6.065316  287.2521       8.576443  287.5442       8.578860  -0.8612061E-01 3.579022  
1 1 1 -5  8  28 o 119.3086 1.290968  140.7220       3.051197  131.0314       3.997633  154.2454       4.722469  -9.720680      2.581937  
1 1 1 -5  8  29 o 190.6455 2.007752  362.6029       7.633914  379.5645       11.31569  348.4352       10.34188  8.146469       4.015504  
1 1 1 -5  8  30 o 46.12820 0.6585139 21.23879       0.6067119 22.06637       0.8863546 20.50917       0.8322402 1.687557       1.317028  
1 1 1 -5  8  31 o 239.5872 2.507257  574.9537       12.01130  581.9391       17.21134  568.3217       16.77033  2.830063       5.014514  
1 1 1 -5  8  32 o 261.4955 2.735055  685.4416       14.30372  682.5179       20.14169  688.4161       20.31649  -1.122284      5.470110  
1 1 1 -5  8  33 o 89.36109 1.011497  78.80617       1.789931  72.69590       2.340660  87.41180       2.777792  -8.228165      2.022994  
1 1 1 -5  8  34 o 281.1733 2.939535  793.4045       16.52707  802.1904       23.65699  785.0285       23.09862  3.026306       5.879070  
1 1 1 -5  8  35 o 119.1933 1.296565  141.3484       3.075988  150.4225       4.630781  134.1832       4.114968  6.800636       2.593130  
1 1 1 -5  8  36 o 39.76292 0.6575800 15.81571       0.5228918 15.76412       0.7441844 15.86601       0.7348650 -0.1282539     1.315160  
1 1 1 -5  8  37 o 53.06577 0.7205673 27.82773       0.7596583 25.23049       1.006147  31.27131       1.158537  -5.689114      1.441135  
1 1 1 -5  8  38 o 38.09145 0.6545473 14.43532       0.4968500 15.43178       0.7421739 13.62605       0.6688386 2.368820       1.309095  
1 1 1 -5  8  39 o 94.11927 1.063753  88.24205       1.994362  93.38348       2.985449  84.09855       2.680103  4.921570       2.127506  
1 1 1 -5  8  40 f 60.13922 1.100343  35.38983       1.303288  40.96135       2.075601  31.76333       1.674560  7.629856       2.200687  
1 1 1 -5  8  41 o 44.71639 0.9935530 19.84204       0.8843858 17.60770       1.190969  22.58861       1.320449  -5.563648      1.987106  
1 1 1 -5  8  42 o 74.28711 1.078970  56.31634       1.567809  61.72064       2.078441  49.18171       2.388108  8.455612       2.157940  
1 1 1 -5  8  43 o 28.50918 0.6933246 8.130680       0.3950359 8.208955       0.5708101 8.058732       0.5472638 0.2625885      1.386649  
1 1 1 -5  8  44 o 78.72652 1.333367  61.84720       2.093031  58.29491       2.828104  66.14912       3.112239  -4.966263      2.666735  
1 1 1 -5  8  45 o 50.09594 0.7285625 24.89055       0.7259918 27.36624       1.099048  22.97403       0.9669970 4.377140       1.457125  
1 1 1 -5  8  46 o 100.8710 1.139353  101.8413       2.295291  105.1698       3.355041  98.91290       3.147002  3.084427       2.278706  
1 1 1 -5  8  47 o 33.75571 0.6983571 11.40276       0.4707636 11.49221       0.6860120 11.32314       0.6472025 0.2481804      1.396714  
1 1 1 -5  8  48 o 66.71363 0.8500376 44.54299       1.133050  45.62368       1.646659  43.57122       1.561482  1.531540       1.700075  
1 1 1 -5  8  49 o 55.07078 0.7801002 30.25649       0.8574168 28.27722       1.168747  32.56319       1.261724  -3.883755      1.560200  
1 1 1 -5  8  50 o 17.74774 0.9776939 3.170546       0.3445549 3.057362       0.5138792 3.262989       0.4644151 -0.5847034     1.955388  
1 1 1 -5  8  51 o 32.81300 0.8902463 10.48475       0.5579712 9.808601       0.6837069 11.83307       0.9654902 -3.053900      1.780493  
1 1 1 -5  8  52 o 25.76810 1.073520  6.670677       0.5531014 6.757636       0.7765474 6.581136       0.7879849 0.3441296      2.147040  
1 1 1 -5  8  53 o 28.77406 1.069161  8.251174       0.6114058 7.057166       0.8282912 9.680612       0.9062792 -4.546932      2.138323  
1 1 1 -5  8  54 o 13.16400 1.811484  1.814754       0.4598151 1.786680       0.6526151 1.842429       0.6479633 -0.2169752     3.622969  
1 1 1 -5  8  55 o 63.49426 0.9340880 40.66328       1.175650  39.02015       1.764500  41.97504       1.576569  -2.356655      1.868176  
1 1 1 -5  8  56 o 24.52997 1.030323  6.049576       0.5053307 6.027382       0.7226218 6.070817       0.7069278 -0.9138489E-01 2.060646  
1 1 1 -5  8  57 o 15.43825 1.599358  2.410561       0.4932655 2.562348       0.7163790 2.273721       0.6801922 0.9238749      3.198715  
1 1 1 -5  8  58 o 27.63211 1.142001  7.658737       0.6293153 8.122411       0.9340602 7.273304       0.8516153 1.517515       2.284001  
1 1 1 -5  8  59 o 57.18628 1.177944  32.97206       1.346743  32.41484       1.873864  33.56738       1.936862  -0.9911880     2.355889  
1 1 1 -5  8  60 o 13.52902 3.034959  1.956181       0.8008795 1.956181       0.8008795 ?              ?         ?              ?         
1 1 1 -5  8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  9  1  o 309.5356 3.217651  958.5431       19.91746  966.8483       28.41666  950.5228       27.92485  2.634003       6.435303  
1 1 1 -5  9  2  o 250.3613 2.610877  624.6969       13.03174  655.2207       19.37589  599.4840       17.60977  11.12230       5.221755  
1 1 1 -5  9  3  o 416.7730 4.327719  1738.772       36.07334  1734.846       50.91537  1742.728       51.11603  -0.9438782     8.655438  
1 1 1 -5  9  4  f 151.2744 1.929198  232.4017       5.694467  247.3280       7.430409  211.1582       8.864428  11.96036       3.858395  
1 1 1 -5  9  5  o 164.5474 2.456486  270.8449       8.083999  270.2644       11.39067  271.4340       11.47479  -0.3550110     4.912971  
1 1 1 -5  9  6  o 494.8467 7.300210  2448.258       72.08173  2349.173       97.97533  2565.173       106.4262  -21.70377      14.60042  
1 1 1 -5  9  7  f 449.8252 6.649586  2028.352       59.82164  2037.869       84.95271  2018.991       84.25278  2.089172       13.29917  
1 1 1 -5  9  8  o 417.8397 5.345899  1732.416       41.49283  1792.503       74.56863  1705.468       49.93787  10.15723       10.69180  
1 1 1 -5  9  9  o 511.2794 5.700788  2621.339       58.20443  2451.175       82.23711  2792.135       82.39010  -33.34204      11.40158  
1 1 1 -5  9  10 o 115.3666 1.242801  133.1035       2.867515  132.5550       4.042512  133.6589       4.068167  -0.4783401     2.485602  
1 1 1 -5  9  11 o 168.8715 1.779209  284.3329       5.993336  297.0610       8.870000  273.6401       8.129980  6.931732       3.558419  
1 1 1 -5  9  12 o 224.0338 2.339788  502.0215       10.48265  506.2331       14.95998  497.9589       14.69303  1.845215       4.679576  
1 1 1 -5  9  13 o 338.0356 4.060808  1143.301       27.43895  1163.262       39.58885  1124.848       38.06507  5.666992       8.121616  
1 1 1 -5  9  14 o 477.4544 4.972626  2282.683       47.46426  2320.100       68.31358  2247.763       65.99563  7.545197       9.945252  
1 1 1 -5  9  15 f 245.6456 2.561596  603.0251       12.57194  618.5551       18.28115  589.0903       17.31683  5.990479       5.123192  
1 1 1 -5  9  16 o 141.4438 1.503252  199.6505       4.244617  193.1398       5.794673  207.1884       6.235087  -4.964111      3.006504  
1 1 1 -5  9  17 f 266.4532 2.777697  709.0022       14.77553  687.2731       20.18075  734.1089       21.69258  -8.774536      5.555394  
1 1 1 -5  9  18 o 344.8926 3.583952  1190.925       24.71737  1202.667       35.34562  1179.688       34.57829  3.320770       7.167904  
1 1 1 -5  9  19 f 209.9020 2.197218  440.7975       9.223104  437.5746       12.93595  444.1297       13.15365  -1.559402      4.394435  
1 1 1 -5  9  20 o 266.3948 2.777268  710.3438       14.79586  705.6906       20.77166  715.1365       21.08078  -1.768829      5.554536  
1 1 1 -5  9  21 o 220.3348 2.305006  485.8199       10.15676  482.4592       14.26340  489.2769       14.46641  -1.544647      4.610012  
1 1 1 -5  9  22 o 125.2713 1.345213  156.6555       3.364746  162.3065       4.932126  151.7358       4.601952  4.216476       2.690426  
1 1 1 -5  9  23 o 67.23154 0.7979818 44.78724       1.065918  48.77381       1.624673  41.77439       1.412392  5.204308       1.595964  
1 1 1 -5  9  24 o 296.6446 3.090819  881.6245       18.33395  872.2111       25.62818  891.4919       26.23884  -3.235168      6.181639  
1 1 1 -5  9  25 o 174.3929 1.842736  304.2064       6.424461  309.4799       9.249019  299.2899       8.930474  2.916855       3.685472  
1 1 1 -5  9  26 o 119.5697 1.291453  142.7692       3.084027  138.5452       4.228552  147.5694       4.507772  -3.770767      2.582905  
1 1 1 -5  9  27 o 100.9851 1.113322  100.5882       2.223624  111.3180       3.469473  93.10832       2.896796  9.010651       2.226645  
1 1 1 -5  9  28 o 191.7157 2.018082  367.4935       7.729997  377.1147       11.24075  358.8617       10.64712  4.749634       4.036165  
1 1 1 -5  9  29 o 37.48035 0.6289573 13.76364       0.4665861 16.30470       0.7243611 11.96168       0.6099865 5.793030       1.257915  
1 1 1 -5  9  30 o 162.2611 1.721989  263.0128       5.579342  272.1003       8.171753  255.0774       7.636208  5.235779       3.443979  
1 1 1 -5  9  31 o 224.1005 2.349612  502.0311       10.51180  520.0031       15.43307  486.4778       14.35705  7.451279       4.699224  
1 1 1 -5  9  32 o 108.8563 1.194956  118.4322       2.599474  115.6070       3.590132  121.5457       3.768795  -2.725052      2.389911  
1 1 1 -5  9  33 f 223.4228 2.344510  499.8154       10.46659  512.1362       15.19860  488.7018       14.43491  5.217361       4.689021  
1 1 1 -5  9  34 o 85.23710 0.9766858 72.68588       1.664994  72.50960       2.352003  72.86296       2.357320  -0.2071991     1.953372  
1 1 1 -5  9  35 o 25.14522 0.6902073 6.321574       0.3465916 6.377565       0.5051236 6.271761       0.4764419 0.2099838      1.380415  
1 1 1 -5  9  36 o 90.71849 1.028600  81.08730       1.845268  74.43528       2.401376  90.67834       2.883478  -8.940781      2.057200  
1 1 1 -5  9  37 o 70.32038 1.045605  49.24500       1.374737  50.18895       2.431957  48.80173       1.666552  0.9640503      2.091209  
1 1 1 -5  9  38 o 82.44069 1.352533  67.66489       2.219319  72.17006       3.342163  64.11150       2.968194  4.870750       2.705066  
1 1 1 -5  9  39 o 61.08744 1.107265  37.35475       1.352254  37.67064       1.943603  37.05837       1.882608  0.4986877      2.214530  
1 1 1 -5  9  40 f 51.94804 0.7225726 26.60687       0.7444004 24.03241       0.9782653 30.14793       1.147308  -5.880798      1.445145  
1 1 1 -5  9  41 o 93.81950 1.063433  87.89037       1.990705  91.82811       2.939478  84.55428       2.705606  3.864792       2.126867  
1 1 1 -5  9  42 o 69.24911 1.197499  48.03459       1.658054  48.93892       2.379427  47.18099       2.311723  1.265038       2.394998  
1 1 1 -5  9  43 o 29.20584 0.6958811 8.352517       0.4019772 10.19354       0.6211599 7.025970       0.5272720 5.419214       1.391762  
1 1 1 -5  9  44 o 87.56193 1.013813  76.81490       1.775413  76.67548       2.514478  76.95351       2.507165  -0.1592407     2.027625  
1 1 1 -5  9  45 o 145.2505 1.569590  212.0044       4.559600  212.4610       6.469985  211.5538       6.426729  0.3075409      3.139181  
1 1 1 -5  9  46 o 58.61234 0.7875739 34.20377       0.9194229 36.51655       1.378359  32.34980       1.234091  3.545544       1.575148  
1 1 1 -5  9  47 f 28.61710 0.7306060 8.206149       0.4176192 8.068503       0.6031862 8.332879       0.5787753 -0.4634724     1.461212  
1 1 1 -5  9  48 o 26.72880 0.7742320 7.179630       0.4096202 5.912801       0.5714516 8.518435       0.5874611 -4.872971      1.548464  
1 1 1 -5  9  49 o 48.38638 0.7483948 23.43339       0.7238797 22.44324       1.009132  24.48294       1.038961  -2.105335      1.496790  
1 1 1 -5  9  50 o 12.68253 1.283439  1.629440       0.3226924 1.501277       0.4770842 1.737520       0.4381141 -0.9372282     2.566878  
1 1 1 -5  9  51 f 48.04805 0.7616295 23.14495       0.7315572 22.72004       1.044315  23.55438       1.025108  -0.8701324     1.523259  
1 1 1 -5  9  52 f 37.13306 0.7495831 13.78716       0.5557821 12.74017       0.7676330 14.94069       0.8057402 -2.959129      1.499166  
1 1 1 -5  9  53 o 116.3692 1.306712  136.3734       3.041198  136.1411       4.306957  136.6044       4.294876  -0.2014008     2.613424  
1 1 1 -5  9  54 o 41.31990 0.7737391 16.98191       0.6365037 18.58334       0.9576356 15.71456       0.8519150 3.458546       1.547478  
1 1 1 -5  9  55 o 24.11440 1.052570  5.801572       0.5018163 5.563241       0.6558470 6.138146       0.7793859 -1.169195      2.105141  
1 1 1 -5  9  56 o 33.82357 1.066922  11.50620       0.7217207 11.38436       1.018878  11.62890       1.022466  -0.3608093     2.133845  
1 1 1 -5  9  57 o 28.22324 1.145242  7.980266       0.6445544 8.846052       0.9498802 7.241411       0.8774922 2.826439       2.290483  
1 1 1 -5  9  58 o 40.15755 1.071146  16.20827       0.8593836 17.25273       1.243897  15.25446       1.188686  2.475380       2.142292  
1 1 1 -5  9  59 o 47.95960 1.123080  23.18242       1.077171  23.17871       1.514211  23.18623       1.532655  -0.3265381E-02 2.246160  
1 1 1 -5  9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  10 1  o 242.5904 2.531463  586.1979       12.23578  616.4673       18.27567  561.6070       16.47248  11.29793       5.062927  
1 1 1 -5  10 2  o 117.6900 1.266578  138.5114       2.981073  137.6499       4.187016  139.3972       4.245337  -0.7421646     2.533156  
1 1 1 -5  10 3  o 249.0585 2.597524  620.2966       12.93397  629.1147       18.59246  612.0272       18.00450  3.427322       5.195047  
1 1 1 -5  10 4  o 439.1086 4.567798  1924.050       40.00177  1850.323       54.18703  2012.349       59.30022  -18.40179      9.135596  
1 1 1 -5  10 5  f 618.3468 6.432981  3739.264       77.86645  3410.628       98.74651  4279.598       126.6179  -69.89630      12.86596  
1 1 1 -5  10 6  o 133.3562 1.428413  177.2853       3.799706  170.4381       5.153624  185.4404       5.624373  -5.623505      2.856827  
1 1 1 -5  10 7  o 481.2780 5.000299  2319.170       48.12071  2291.428       67.23338  2348.307       68.90327  -5.891327      10.00060  
1 1 1 -5  10 8  f 381.6468 4.873244  1450.513       34.84083  1435.586       42.29959  1482.004       61.43987  -5.878662      9.746489  
1 1 1 -5  10 9  o 209.9823 3.110068  441.1811       13.06069  443.5727       18.56800  438.8391       18.37475  1.125763       6.220135  
1 1 1 -5  10 10 o 296.0087 4.358863  873.9592       25.71870  838.6113       34.71558  916.9608       38.29003  -13.19672      8.717726  
1 1 1 -5  10 11 o 407.8272 5.993591  1667.485       48.88552  1673.812       69.45332  1661.273       68.82016  1.527527       11.98718  
1 1 1 -5  10 12 o 207.0540 2.817643  423.1013       11.21216  449.8372       18.91092  408.6085       13.92329  9.918304       5.635286  
1 1 1 -5  10 13 o 215.1645 2.726811  468.7728       11.34135  440.7778       18.29348  486.2508       14.45442  -10.59673      5.453621  
1 1 1 -5  10 14 o 124.2902 1.333059  153.5462       3.296996  163.6912       4.971797  145.5831       4.404830  7.282265       2.666118  
1 1 1 -5  10 15 o 299.0203 3.111617  894.0074       18.59200  873.9018       25.65013  916.2633       26.98690  -7.069366      6.223234  
1 1 1 -5  10 16 o 290.3004 3.022370  843.5117       17.54718  848.0388       24.95277  839.0828       24.68038  1.539490       6.044741  
1 1 1 -5  10 17 o 84.00000 0.9446092 70.52649       1.586267  69.24051       2.204632  71.90687       2.284119  -1.586807      1.889218  
1 1 1 -5  10 18 o 72.81334 0.8514714 51.76427       1.219692  59.97990       1.951136  46.49455       1.562647  9.258690       1.702943  
1 1 1 -5  10 19 o 75.83881 0.8722867 57.22763       1.317888  60.72667       1.971944  54.40328       1.771654  4.168083       1.744573  
1 1 1 -5  10 20 o 176.5354 1.859124  311.6006       6.560101  317.7737       9.475290  305.9175       9.091380  3.354004       3.718248  
1 1 1 -5  10 21 f 325.6298 3.388485  1060.230       22.02677  1098.074       32.35059  1027.522       30.07487  10.78488       6.776970  
1 1 1 -5  10 22 o 222.3977 2.327816  495.0369       10.35205  489.7438       14.47187  500.5833       14.81414  -2.431244      4.655631  
1 1 1 -5  10 23 o 110.6839 1.205657  122.0224       2.659667  128.6203       3.964991  116.6250       3.586152  5.415054       2.411314  
1 1 1 -5  10 24 o 211.8938 2.220507  449.4433       9.409433  446.1671       13.20402  452.8236       13.41232  -1.567032      4.441014  
1 1 1 -5  10 25 o 237.2885 2.480988  563.5426       11.76923  554.7166       16.36214  573.0046       16.94139  -3.842331      4.961977  
1 1 1 -5  10 26 o 236.1353 2.470895  556.8185       11.64088  536.9753       15.81597  580.2754       17.19585  -9.139587      4.941790  
1 1 1 -5  10 27 o 288.1087 3.007174  831.5443       17.31978  818.2050       24.05889  845.8939       24.95333  -4.780914      6.014349  
1 1 1 -5  10 28 o 77.54391 0.8995283 59.03440       1.376008  66.76366       2.174171  53.86977       1.777230  8.310478       1.799057  
1 1 1 -5  10 29 o 107.7658 1.181294  116.0734       2.544271  113.4182       3.519137  118.9812       3.682721  -2.579041      2.362587  
1 1 1 -5  10 30 o 230.4582 2.414384  531.9933       11.12634  537.5140       15.91410  526.7144       15.56184  2.333466       4.828768  
1 1 1 -5  10 31 o 300.2312 3.134706  903.8096       18.81001  886.0605       26.03464  923.1932       27.20679  -6.137939      6.269412  
1 1 1 -5  10 32 o 119.4261 1.297431  142.5503       3.095748  146.4331       4.502360  139.0686       4.263496  3.078659       2.594863  
1 1 1 -5  10 33 o 123.5609 1.338780  152.2374       3.298851  145.8561       4.465293  159.9052       4.894794  -5.675682      2.677561  
1 1 1 -5  10 34 o 42.28686 0.8245078 17.36048       0.6383710 19.19461       1.195325  16.62861       0.7550677 3.027012       1.649016  
1 1 1 -5  10 35 o 133.1415 2.032200  176.7526       5.387463  167.8754       7.221663  187.8932       8.090133  -7.476883      4.064401  
1 1 1 -5  10 36 o 197.7725 2.962664  392.1947       11.67970  375.6006       15.76560  412.3813       17.38858  -9.168289      5.925328  
1 1 1 -5  10 37 f 30.90612 0.8266014 10.01853       0.4851066 11.58636       0.6293849 7.723987       0.7614031 6.251953       1.653203  
1 1 1 -5  10 38 o 57.37839 0.7524502 32.86803       0.8621695 34.22375       1.262500  31.68321       1.180237  2.211678       1.504900  
1 1 1 -5  10 39 o 80.09612 0.9373302 63.86700       1.496016  60.28917       2.013175  68.27926       2.235643  -4.978897      1.874660  
1 1 1 -5  10 40 o 110.9228 1.225377  123.0812       2.715144  119.4894       3.730289  127.1280       3.959545  -3.430298      2.450753  
1 1 1 -5  10 41 o 25.62395 0.7111636 6.549547       0.3636949 6.889333       0.5359239 6.259469       0.4951741 1.227587       1.422327  
1 1 1 -5  10 42 o 56.03105 0.7587742 31.42032       0.8501388 31.53777       1.215111  31.30770       1.189843  0.2042580      1.517548  
1 1 1 -5  10 43 o 101.5875 1.620950  103.5247       3.289191  106.2871       4.796751  101.0731       4.518909  2.539017       3.241900  
1 1 1 -5  10 44 o 88.74632 1.026330  78.90136       1.821117  79.79404       2.613139  78.05839       2.539342  0.9725571      2.052660  
1 1 1 -5  10 45 o 58.76717 0.7866412 34.56518       0.9240674 35.01773       1.332489  34.14588       1.282596  0.7388916      1.573282  
1 1 1 -5  10 46 o 69.07290 0.8632004 47.73220       1.191628  46.10361       1.647881  49.51721       1.725210  -2.465408      1.726401  
1 1 1 -5  10 47 o 11.08460 1.394895  1.282332       0.2970123 1.051969       0.4369910 1.480121       0.4049180 -2.117574      2.789791  
1 1 1 -5  10 48 o 69.09143 0.8720134 47.65629       1.202318  45.05280       1.635374  50.71887       1.773708  -4.087776      1.744027  
1 1 1 -5  10 49 o 31.35412 0.7396641 9.764255       0.4616447 10.73992       0.6952323 8.994805       0.6174037 2.776394       1.479328  
1 1 1 -5  10 50 o 33.87766 0.7410566 11.51879       0.5011550 10.79918       0.7131208 12.22099       0.7044392 -2.099262      1.482113  
1 1 1 -5  10 51 o 66.25496 0.8644583 44.00176       1.145207  42.75776       1.600919  45.30547       1.638883  -1.918221      1.728917  
1 1 1 -5  10 52 o 63.40225 0.8542278 40.29154       1.082861  39.07621       1.510753  41.57565       1.552910  -1.965988      1.708456  
1 1 1 -5  10 53 o 55.10912 0.8079595 30.41247       0.8898515 28.90740       1.234631  32.03949       1.283682  -2.835838      1.615919  
1 1 1 -5  10 54 o 18.48368 1.052396  3.373676       0.3852559 3.896000       0.5977176 3.002470       0.5038881 2.400272       2.104791  
1 1 1 -5  10 55 o 26.52234 0.9418658 7.052944       0.4976825 6.928607       0.6722384 7.203748       0.7403383 -0.5073872     1.883732  
1 1 1 -5  10 56 f 23.51701 1.226695  5.580353       0.5687588 4.409638       0.7849883 6.874118       0.8252113 -5.230656      2.453390  
1 1 1 -5  10 57 o 33.73305 1.090910  11.39984       0.7341908 12.40813       1.082771  10.54171       0.9988980 2.748119       2.181820  
1 1 1 -5  10 58 o 60.36832 1.697464  0.000000       0.000000  ?              ?         36.77509       2.049460  ?              ?         
1 1 1 -5  10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  11 1  o 533.0880 6.007730  2853.629       63.61818  2805.876       95.27124  2892.057       85.46488  -8.224609      12.01546  
1 1 1 -5  11 2  o 122.9918 1.323962  150.2313       3.237960  142.0910       4.310512  160.7729       4.905255  -7.592903      2.647923  
1 1 1 -5  11 3  o 330.8633 3.438397  1095.278       22.74746  1109.047       32.59554  1082.205       31.76025  4.049438       6.876794  
1 1 1 -5  11 4  o 367.8051 3.837622  1352.960       28.20263  1380.332       40.95098  1328.265       38.89732  7.059021       7.675244  
1 1 1 -5  11 5  o 315.7638 3.289188  997.6636       20.76978  987.9468       29.10788  1007.743       29.64529  -3.130249      6.578377  
1 1 1 -5  11 6  o 417.4668 4.337833  1739.494       36.11554  1675.042       48.92842  1816.643       53.53162  -16.90930      8.675666  
1 1 1 -5  11 7  o 292.0181 3.043237  852.1812       17.75130  875.0033       25.88453  831.9177       24.39031  7.365448       6.086475  
1 1 1 -5  11 8  o 229.6685 2.403114  527.6926       11.03817  525.5480       15.55085  529.8704       15.67050  -0.9402313     4.806227  
1 1 1 -5  11 9  o 553.9958 5.759223  3074.335       63.76525  3008.305       88.17657  3146.720       92.32152  -12.42609      11.51845  
1 1 1 -5  11 10 f 134.0900 1.848799  179.9555       4.862523  179.3189       7.659397  180.3853       6.293385  -0.4049530     3.697598  
1 1 1 -5  11 11 o 401.2394 4.172765  1607.027       33.38463  1678.052       49.55286  1547.994       45.17608  16.15097       8.345530  
1 1 1 -5  11 12 f 159.6869 2.065270  255.7040       6.242176  256.9827       7.684481  253.2235       10.70283  1.197174       4.130540  
1 1 1 -5  11 13 o 499.0339 7.343897  2498.536       73.16225  2422.463       99.91725  2586.469       107.4242  -16.23730      14.68779  
1 1 1 -5  11 14 f 97.13219 1.517953  94.36769       2.948760  94.04049       4.151983  94.70070       4.188609  -0.3396378     3.035906  
1 1 1 -5  11 15 o 275.0599 4.058561  757.8919       22.32242  749.8557       31.19610  766.3237       31.95492  -2.980499      8.117123  
1 1 1 -5  11 16 o 88.99612 1.410072  77.20437       2.460995  89.37936       3.982105  69.68061       3.130371  11.06163       2.820144  
1 1 1 -5  11 17 o 226.2273 2.909237  510.0395       12.31264  519.0813       21.74867  505.7747       14.93683  2.842621       5.818474  
1 1 1 -5  11 18 o 33.69856 0.5935594 10.62061       0.3868282 14.88569       0.6520357 8.304191       0.4805265 9.764688       1.187119  
1 1 1 -5  11 19 o 151.8992 1.611395  230.6617       4.892309  235.5021       7.070828  226.2163       6.776118  3.053711       3.222790  
1 1 1 -5  11 20 o 73.20166 0.8516734 53.52376       1.245759  52.05688       1.718063  55.15002       1.808991  -2.112228      1.703347  
1 1 1 -5  11 21 o 147.0929 1.563620  216.4598       4.599638  215.0665       6.460198  217.8925       6.550483  -0.9595490     3.127239  
1 1 1 -5  11 22 o 95.73903 1.059781  90.80519       2.013896  98.60606       3.085028  85.01229       2.658492  7.095741       2.119562  
1 1 1 -5  11 23 o 233.1845 2.438901  543.8475       11.36320  531.2785       15.66185  557.8179       16.51178  -5.674393      4.877803  
1 1 1 -5  11 24 o 343.5820 3.578291  1183.148       24.57511  1162.953       34.08478  1205.013       35.46521  -6.081390      7.156582  
1 1 1 -5  11 25 o 231.0356 2.419006  531.3195       11.11989  504.8683       14.85157  565.0674       16.77540  -12.98763      4.838011  
1 1 1 -5  11 26 o 156.6962 1.663788  245.5831       5.211914  241.5645       7.243549  249.8970       7.504916  -2.654816      3.327577  
1 1 1 -5  11 27 o 139.0047 1.490058  190.4134       4.090712  176.0822       5.306187  211.4102       6.422676  -12.69112      2.980116  
1 1 1 -5  11 28 o 231.7896 2.427063  538.1718       11.25049  541.8646       16.03009  534.5871       15.79373  1.563705       4.854125  
1 1 1 -5  11 29 o 83.92986 0.9621542 70.02205       1.607308  74.81309       2.420607  66.24374       2.149603  5.102089       1.924308  
1 1 1 -5  11 30 o 103.0776 1.139632  105.9184       2.343150  101.3866       3.176412  111.3283       3.470515  -4.818192      2.279263  
1 1 1 -5  11 31 o 150.0919 1.991545  219.2856       5.407682  240.5690       10.31739  211.2242       6.349752  9.659256       3.983091  
1 1 1 -5  11 32 f 108.7593 1.692296  117.8257       3.666546  111.9148       4.927850  125.1562       5.487785  -6.071930      3.384591  
1 1 1 -5  11 33 o 26.00679 1.045994  6.694215       0.5257310 4.564414       0.7026532 9.402844       0.7924032 -9.300476      2.091989  
1 1 1 -5  11 34 o 87.76051 1.239196  74.72417       1.977619  71.61858       2.327964  82.77612       3.748474  -6.317162      2.478393  
1 1 1 -5  11 35 o 110.6363 1.216756  122.4114       2.690237  119.4629       3.716521  125.6570       3.899187  -2.793365      2.433511  
1 1 1 -5  11 36 o 113.3342 1.244352  128.5318       2.819038  125.9183       3.909802  131.3617       4.068369  -2.395172      2.488704  
1 1 1 -5  11 37 o 62.25295 0.7869477 38.74918       0.9794285 37.66957       1.362997  39.90184       1.408359  -1.791672      1.573895  
1 1 1 -5  11 38 o 40.16403 0.6655145 16.14408       0.5343813 15.96851       0.7641471 16.31213       0.7475836 -0.4282379     1.331029  
1 1 1 -5  11 39 o 112.4462 1.239054  126.3010       2.779488  131.9438       4.110050  121.5454       3.773107  4.604759       2.478108  
1 1 1 -5  11 40 o 64.78354 0.8141521 42.00895       1.054840  41.86673       1.496123  42.14954       1.487454  -0.2186203     1.628304  
1 1 1 -5  11 41 o 117.3778 1.291198  137.7213       3.023741  143.6520       4.467449  132.7076       4.107608  4.637039       2.582396  
1 1 1 -5  11 42 o 42.14759 0.6898189 17.60492       0.5782952 19.47863       0.8756021 16.15527       0.7701706 3.938301       1.379638  
1 1 1 -5  11 43 f 58.45877 0.7829980 33.57319       0.9044698 38.37889       1.419757  30.29060       1.173395  6.904648       1.565996  
1 1 1 -5  11 44 o 49.73389 0.7294116 24.75340       0.7251688 24.99093       1.044227  24.53214       1.007828  0.4593735      1.458823  
1 1 1 -5  11 45 o 62.89510 0.8164620 39.49041       1.025308  37.29636       1.402125  42.01201       1.503150  -3.742062      1.632924  
1 1 1 -5  11 46 o 68.13904 0.8575990 46.49027       1.168020  47.24042       1.686373  45.79858       1.619324  1.052803       1.715198  
1 1 1 -5  11 47 o 30.44804 0.7207447 9.293755       0.4384615 8.886912       0.6235715 9.691605       0.6166429 -1.321936      1.441489  
1 1 1 -5  11 48 o 68.74026 0.8705285 47.36125       1.196669  47.45798       1.706137  47.26759       1.678884  0.1358948      1.741057  
1 1 1 -5  11 49 f 72.35919 0.9034119 52.33561       1.305022  49.75929       1.781081  55.32214       1.917635  -3.829079      1.806824  
1 1 1 -5  11 50 o 41.08213 0.7449768 16.81906       0.6099731 15.02763       0.8313243 18.90829       0.8977665 -4.716522      1.489954  
1 1 1 -5  11 51 o 55.67178 0.8048200 31.06054       0.8958347 29.98423       1.255134  32.17819       1.279006  -1.967796      1.609640  
1 1 1 -5  11 52 f 19.24145 0.9875127 3.723035       0.3770974 3.669290       0.5674846 3.765533       0.5046251 -0.2591476     1.975025  
1 1 1 -5  11 53 o 51.65553 0.7942871 26.76312       0.8198968 26.66303       1.182832  26.85568       1.137514  -0.1922379     1.588574  
1 1 1 -5  11 54 o 69.71613 0.9143929 48.64493       1.272817  45.85898       1.740913  51.84433       1.865622  -4.272583      1.828786  
1 1 1 -5  11 55 o 55.90735 1.063971  31.11960       1.164815  29.95136       1.489455  32.95908       1.869006  -2.617348      2.127942  
1 1 1 -5  11 56 o 48.27296 1.550933  0.000000       0.000000  ?              ?         23.45956       1.497363  ?              ?         
1 1 1 -5  11 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  11 58 o 36.41763 1.103855  13.36071       0.8037845 13.79700       1.145002  12.93681       1.128621  1.177017       2.207710  
1 1 1 -5  11 59 o 44.61082 1.146631  20.01227       1.021333  18.70590       1.399550  21.50056       1.493821  -3.106308      2.293262  
1 1 1 -5  11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  12 1  o 148.4557 1.574324  219.9267       4.665292  228.2610       6.858400  212.7491       6.364668  5.222122       3.148648  
1 1 1 -5  12 2  o 169.4593 1.789826  286.8150       6.058511  295.3802       8.836031  279.2155       8.323019  4.766785       3.579651  
1 1 1 -5  12 3  o 280.1484 2.919150  784.1488       16.33406  762.8422       22.41674  808.2661       23.84948  -8.094757      5.838301  
1 1 1 -5  12 4  o 415.7048 4.316884  1729.309       35.86359  1767.478       51.94423  1694.541       49.57615  8.742157       8.633768  
1 1 1 -5  12 5  o 343.9055 3.574439  1183.722       24.58050  1170.711       34.35427  1197.369       35.18477  -3.866669      7.148877  
1 1 1 -5  12 6  o 137.3792 1.466574  188.2519       4.020561  196.1335       5.928360  181.5396       5.471002  5.309464       2.933148  
1 1 1 -5  12 7  o 383.8127 3.985085  1475.198       30.58988  1480.125       43.42836  1470.346       43.09481  1.269623       7.970170  
1 1 1 -5  12 8  o 240.0814 2.508251  576.6586       12.04219  572.4296       16.87385  581.0480       17.19103  -1.792252      5.016502  
1 1 1 -5  12 9  o 341.0784 5.019889  1165.770       34.23193  1149.789       47.67643  1182.776       49.18117  -4.809326      10.03978  
1 1 1 -5  12 10 f 111.1830 1.213217  123.3996       2.693640  127.7003       3.943008  119.6363       3.688481  3.625313       2.426434  
1 1 1 -5  12 11 o 173.6324 1.830625  301.5893       6.357034  302.4321       9.017611  300.7567       8.963047  0.4820709      3.661250  
1 1 1 -5  12 12 o 73.76859 0.8560647 53.44112       1.246608  48.72126       1.613093  60.43972       1.964268  -7.941452      1.712129  
1 1 1 -5  12 13 o 199.9947 2.098097  399.6496       8.382284  411.0610       12.21421  389.4905       11.52451  5.386261       4.196194  
1 1 1 -5  12 14 f 215.0241 2.251039  461.2285       9.654727  481.5983       14.29199  444.1301       13.09420  8.699524       4.502078  
1 1 1 -5  12 15 o 393.1509 4.087376  1543.190       32.02641  1621.245       47.73974  1479.315       43.18618  17.95377       8.174751  
1 1 1 -5  12 16 o 182.9820 2.367952  333.2954       8.098824  330.0460       9.813525  340.2346       14.34090  -2.725159      4.735904  
1 1 1 -5  12 17 o 53.17971 0.9827677 27.78595       1.034142  31.76826       1.612724  25.00496       1.347697  6.357323       1.965535  
1 1 1 -5  12 18 f 43.30058 0.8879927 18.74817       0.7689180 18.49388       1.077168  19.01237       1.097958  -0.5985870     1.775985  
1 1 1 -5  12 19 o 84.23273 1.350994  70.11943       2.255556  64.96712       2.959720  77.25713       3.483603  -7.289948      2.701988  
1 1 1 -5  12 20 o 22.72093 0.8747572 5.134766       0.3961007 5.779186       0.5829604 4.582109       0.5398609 2.634001       1.749514  
1 1 1 -5  12 21 o 179.2679 2.357145  310.0758       7.564500  348.0255       14.76027  296.5580       8.809321  14.24512       4.714290  
1 1 1 -5  12 22 o 61.37966 0.7565145 37.51098       0.9257583 39.73409       1.377378  35.67924       1.250272  3.302341       1.513029  
1 1 1 -5  12 23 o 41.67522 0.6228120 17.37184       0.5190388 17.22927       0.7385766 17.51096       0.7295697 -0.3380089     1.245624  
1 1 1 -5  12 24 o 156.2097 1.657562  243.8025       5.171721  251.2752       7.549689  237.1955       7.098942  4.499969       3.315124  
1 1 1 -5  12 25 o 106.2412 1.166586  112.8533       2.477813  110.9111       3.446066  114.9323       3.565289  -1.891144      2.333172  
1 1 1 -5  12 26 o 36.03892 0.6307260 12.98853       0.4543692 12.41891       0.6384970 13.57294       0.6467323 -1.601032      1.261452  
1 1 1 -5  12 27 f 111.8635 1.221786  125.1571       2.732906  123.5582       3.818381  126.8363       3.913189  -1.463959      2.443573  
1 1 1 -5  12 28 o 275.5038 3.563084  750.0150       18.05000  793.1226       33.19989  731.9264       21.50616  10.62857       7.126169  
1 1 1 -5  12 29 o 52.62492 1.012003  27.68477       1.064602  26.49730       1.485643  28.93816       1.526329  -2.318565      2.024006  
1 1 1 -5  12 30 o 79.10841 1.305368  62.49937       2.061346  64.59536       3.028474  60.69010       2.813725  2.464012       2.610736  
1 1 1 -5  12 31 o 166.3801 2.148916  279.7900       6.847661  285.9314       8.583148  269.0368       11.35752  5.174515       4.297832  
1 1 1 -5  12 32 f 40.47779 0.6602910 16.18498       0.5311435 14.17171       0.7086195 18.76633       0.8023907 -5.674259      1.320582  
1 1 1 -5  12 33 o 93.84042 1.056491  88.02065       1.981227  85.67915       2.735686  90.60332       2.873120  -2.620361      2.112982  
1 1 1 -5  12 34 o 43.81835 0.6688898 19.12297       0.5845345 20.30248       0.8674418 18.14186       0.7911314 2.464066       1.337780  
1 1 1 -5  12 35 o 153.5003 1.639827  236.1767       5.033943  237.5457       7.168313  234.8446       7.070829  0.8747559      3.279654  
1 1 1 -5  12 36 o 46.14837 0.6876674 21.26927       0.6340976 20.11803       0.8772189 22.52906       0.9176454 -2.611294      1.375335  
1 1 1 -5  12 37 o 24.56834 0.7110909 5.894216       0.3441444 7.563982       0.5312020 4.686453       0.4517756 5.853876       1.422182  
1 1 1 -5  12 38 o 124.7527 1.358268  155.7577       3.384499  160.5058       4.940350  151.5585       4.646008  3.567924       2.716536  
1 1 1 -5  12 39 o 23.65640 0.7487006 5.416334       0.3472146 7.219869       0.5453128 4.186581       0.4502904 6.407677       1.497401  
1 1 1 -5  12 40 o 92.39133 1.489616  85.27784       2.743525  90.05932       4.084789  81.34820       3.703094  4.683838       2.979232  
1 1 1 -5  12 41 o 90.85054 1.041489  82.61029       1.890943  84.43833       2.739010  80.94558       2.613778  1.914810       2.082978  
1 1 1 -5  12 42 o 36.07607 0.9902516 13.07249       0.7123780 12.02227       1.013789  14.09686       1.001237  -2.876137      1.980503  
1 1 1 -5  12 43 o 53.01235 0.7473313 28.10652       0.7914876 28.69578       1.151165  27.57821       1.090002  1.050861       1.494663  
1 1 1 -5  12 44 o 54.32677 0.7591040 29.54445       0.8245876 28.62723       1.156634  30.49245       1.175890  -1.715504      1.518208  
1 1 1 -5  12 45 o 39.13020 0.7020174 15.32168       0.5486948 15.49768       0.7984555 15.16420       0.7552863 0.4234581      1.404035  
1 1 1 -5  12 46 o 44.74598 0.7243839 19.91304       0.6452299 21.45949       0.9714806 18.69242       0.8630913 3.084042       1.448768  
1 1 1 -5  12 47 o 20.29841 0.8763537 4.167410       0.3525156 3.664292       0.5113890 4.622932       0.4865990 -2.363667      1.752707  
1 1 1 -5  12 48 o 45.58228 0.7389354 20.67273       0.6706260 22.29308       1.008392  19.38774       0.8979957 3.177368       1.477871  
1 1 1 -5  12 49 o 47.05250 0.7557607 21.99583       0.7080246 19.58440       0.9543216 24.94834       1.055973  -5.690083      1.511521  
1 1 1 -5  12 50 o 40.81419 0.7461919 16.70369       0.6087320 16.18340       0.8660243 17.21180       0.8558207 -1.260887      1.492384  
1 1 1 -5  12 51 o 59.32682 0.8254271 35.28086       0.9786806 35.65209       1.414549  34.93999       1.355467  0.5930672      1.650854  
1 1 1 -5  12 52 o 28.54562 0.8023092 8.123501       0.4564932 8.754573       0.6807598 7.607884       0.6153432 2.000513       1.604618  
1 1 1 -5  12 53 f 34.85485 0.7902536 12.16275       0.5487889 10.75258       0.7588938 13.70851       0.7945425 -4.235466      1.580507  
1 1 1 -5  12 54 o 27.49783 1.316395  7.748986       0.7037989 7.051286       1.106084  8.223644       0.9123141 -2.176231      2.632789  
1 1 1 -5  12 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  12 56 o 8.317847 2.141824  0.5473009      0.4725523 0.8461833      0.6862899 0.2778405      0.6516356 2.006405       4.283648  
1 1 1 -5  12 57 o 7.140623 1.992940  0.1693964      0.4606354 -0.4033704     0.6815113 0.6511470      0.6250219 -2.605000      3.985880  
1 1 1 -5  12 58 o 43.69844 1.110034  19.11266       0.9666933 21.17330       1.438645  17.41634       1.305285  4.264603       2.220068  
1 1 1 -5  12 59 f 35.80362 1.731044  12.80115       1.217275  11.64894       1.554850  14.62557       1.956527  -3.981133      3.462087  
1 1 1 -5  12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  13 1  o 167.4077 1.767808  280.2998       5.917890  282.8208       8.461507  277.8860       8.279773  1.472687       3.535615  
1 1 1 -5  13 2  o 268.7809 2.803634  721.6626       15.04593  700.7172       20.57868  745.7192       22.05418  -8.355743      5.607268  
1 1 1 -5  13 3  o 203.4586 2.133666  414.1391       8.681890  412.2556       12.21193  416.0640       12.34525  -0.9348145     4.267332  
1 1 1 -5  13 4  f 317.2832 3.302816  1006.630       20.93625  982.3362       28.82370  1033.761       30.46074  -8.083130      6.605633  
1 1 1 -5  13 5  o 329.5197 3.426186  1087.022       22.57579  1098.436       32.29729  1076.118       31.56915  3.376587       6.852371  
1 1 1 -5  13 6  o 47.58842 0.7154453 21.17019       0.6432239 18.50663       0.7721957 27.20701       1.162518  -9.140148      1.430891  
1 1 1 -5  13 7  o 97.94064 1.534492  95.36864       2.991565  101.7217       4.502519  90.34737       4.002849  5.803589       3.068985  
1 1 1 -5  13 8  o 206.6520 2.165822  426.6937       8.940750  415.7255       12.28996  439.0241       13.03080  -5.630234      4.331644  
1 1 1 -5  13 9  o 222.8383 2.330959  495.9588       10.37133  512.7240       15.19918  481.3509       14.18756  7.028793       4.661917  
1 1 1 -5  13 10 o 114.9837 1.245108  132.2307       2.863175  133.0549       4.075514  131.4274       4.023274  0.7074127      2.490215  
1 1 1 -5  13 11 o 140.4081 1.498736  194.9882       4.169564  182.0306       5.467959  212.9908       6.445100  -11.01778      2.997471  
1 1 1 -5  13 12 o 78.69411 0.9011418 61.57747       1.412377  65.73431       2.118022  58.24892       1.895293  4.754959       1.802284  
1 1 1 -5  13 13 f 188.1996 1.980574  354.0339       7.448308  362.9049       10.80880  346.0124       10.27822  4.482117       3.961149  
1 1 1 -5  13 14 f 74.17268 0.8606337 54.96701       1.275749  56.39633       1.848129  53.66599       1.763227  1.840096       1.721267  
1 1 1 -5  13 15 o 256.4170 2.677053  658.1211       13.72457  649.5654       19.12686  667.2017       19.70499  -3.429031      5.354107  
1 1 1 -5  13 16 o 279.0437 2.911340  779.0653       16.23090  761.3724       22.35480  798.7908       23.60403  -6.679138      5.822679  
1 1 1 -5  13 17 o 148.8456 1.583976  221.5092       4.712469  217.3243       6.528944  226.0605       6.808730  -2.931244      3.167951  
1 1 1 -5  13 18 o 189.5535 1.993602  358.7210       7.541553  372.8509       11.11091  346.6505       10.26945  6.897568       3.987203  
1 1 1 -5  13 19 o 230.6831 2.415600  532.2277       11.13351  545.8888       16.18521  519.9575       15.33917  5.604324       4.831201  
1 1 1 -5  13 20 o 93.69279 1.043876  86.47756       1.933050  96.26468       3.026443  79.73341       2.512284  8.817871       2.087751  
1 1 1 -5  13 21 f 282.5284 3.614918  800.3927       19.24357  799.8977       23.55103  801.3871       33.38028  0.2355957E-01  7.229836  
1 1 1 -5  13 22 o 118.1621 1.812118  139.3222       4.272267  145.4972       6.309432  134.0937       5.805744  4.817276       3.624237  
1 1 1 -5  13 23 o 239.6096 3.553657  575.9404       17.02808  580.9451       24.29074  571.1046       23.87725  2.039902       7.107314  
1 1 1 -5  13 24 o 271.8312 4.024496  741.7910       21.86826  729.2947       30.34682  755.2897       31.54047  -4.734467      8.048992  
1 1 1 -5  13 25 o 111.1980 2.432011  0.000000       0.000000  ?              ?         123.7591       5.408695  ?              ?         
1 1 1 -5  13 26 f 140.3702 3.001017  0.000000       0.000000  ?              ?         197.3187       8.425067  ?              ?         
1 1 1 -5  13 27 o 282.8188 4.191138  801.7941       23.63417  770.1594       31.96437  839.9468       35.10326  -12.17874      8.382276  
1 1 1 -5  13 28 o 116.8266 1.564990  135.5341       3.412781  133.6494       4.126268  139.6150       6.071757  -2.511650      3.129981  
1 1 1 -5  13 29 f 55.99307 0.7422777 30.38565       0.8150745 36.41877       1.321269  26.67928       1.035605  8.693703       1.484555  
1 1 1 -5  13 30 o 94.63888 1.062501  89.53339       2.009871  87.38736       2.784117  91.86897       2.904475  -2.365555      2.125003  
1 1 1 -5  13 31 o 64.51412 0.8019298 41.49210       1.032663  39.38783       1.407246  43.94736       1.520086  -3.531876      1.603860  
1 1 1 -5  13 32 o 74.96779 0.8904389 55.88433       1.329988  52.42292       1.787876  60.17310       1.990110  -5.164787      1.780878  
1 1 1 -5  13 33 o 60.75818 0.7767302 36.82908       0.9418840 38.47849       1.387383  35.41895       1.282805  2.515572       1.553460  
1 1 1 -5  13 34 o 81.72214 0.9498821 66.04105       1.538551  72.65464       2.376385  61.26818       2.018773  6.955605       1.899764  
1 1 1 -5  13 35 o 113.8061 1.248613  129.7106       2.841934  128.9623       4.002929  130.4711       4.035471  -0.6614532     2.497227  
1 1 1 -5  13 36 o 88.98050 1.016424  79.09509       1.806126  76.21869       2.473057  82.38287       2.644000  -3.456604      2.032848  
1 1 1 -5  13 37 o 139.1491 1.500227  194.1497       4.174592  192.1454       5.848223  196.2319       5.960919  -1.460770      3.000454  
1 1 1 -5  13 38 f 16.24161 0.9069777 2.622124       0.2935494 2.885614       0.4378681 2.407025       0.3956221 1.471472       1.813955  
1 1 1 -5  13 39 o 63.76223 1.135219  40.46218       1.441572  37.89303       1.933143  43.68056       2.163657  -4.524399      2.270438  
1 1 1 -5  13 40 o 38.85540 0.6803227 15.11654       0.5283738 14.80757       0.7552730 15.41270       0.7394451 -0.7793159     1.360645  
1 1 1 -5  13 41 o 68.19796 0.8507842 46.10544       1.153460  42.46968       1.531945  50.86473       1.752737  -6.142502      1.701568  
1 1 1 -5  13 42 o 29.70490 0.7121876 8.818312       0.4219869 9.021591       0.6227891 8.645767       0.5737783 0.6301517      1.424375  
1 1 1 -5  13 43 f 69.63321 0.8692499 48.56254       1.210481  47.78732       1.701106  49.35772       1.722859  -1.126137      1.738500  
1 1 1 -5  13 44 o 52.35056 0.7528334 27.34188       0.7860337 28.76120       1.165400  26.15734       1.064658  2.480381       1.505667  
1 1 1 -5  13 45 o 33.81104 0.7292084 11.36465       0.4877934 9.209886       0.6616238 13.93071       0.7220135 -6.976877      1.458417  
1 1 1 -5  13 46 o 46.44787 0.7500889 21.48788       0.6945795 19.37172       0.9452904 23.97107       1.023991  -4.944862      1.500178  
1 1 1 -5  13 47 o 45.48990 0.7386957 20.63248       0.6697308 21.86195       0.9988382 19.62824       0.9027228 2.447010       1.477391  
1 1 1 -5  13 48 o 82.19231 0.9860221 67.72187       1.620003  65.67121       2.246902  69.94193       2.337864  -2.586708      1.972044  
1 1 1 -5  13 49 o 24.54679 0.8222018 6.021507       0.4016996 6.231857       0.6025385 5.853217       0.5389444 0.7641907      1.644404  
1 1 1 -5  13 50 o 70.53174 0.9007219 49.87616       1.270161  48.42813       1.769923  51.41378       1.823850  -2.109619      1.801444  
1 1 1 -5  13 51 f 17.73568 1.067168  3.176355       0.3749447 3.034394       0.5634148 3.289203       0.5023307 -0.7279701     2.134336  
1 1 1 -5  13 52 o 67.38748 1.126158  45.38566       1.388739  46.43279       2.555131  44.94666       1.654437  0.9345779      2.252315  
1 1 1 -5  13 53 o 26.67918 1.356688  7.334912       0.7083961 5.997293       1.044872  8.472757       0.9636918 -4.658371      2.713375  
1 1 1 -5  13 54 o 36.03591 1.004110  12.86746       0.7146822 11.94828       0.9276019 14.21010       1.121095  -3.102303      2.008220  
1 1 1 -5  13 55 o 11.88015 2.041204  1.495000       0.4808316 1.674090       0.6979553 1.333225       0.6633601 1.349417       4.082408  
1 1 1 -5  13 56 o 43.26937 1.081172  18.85167       0.9354010 18.45732       1.305344  19.26791       1.341094  -0.9280548     2.162344  
1 1 1 -5  13 57 o 54.19928 1.151434  29.60954       1.247857  30.33082       1.787055  28.92320       1.743233  1.287239       2.302868  
1 1 1 -5  13 58 f 15.36211 1.817180  2.412476       0.5389575 3.036378       0.8142473 1.925987       0.7190084 3.792234       3.634361  
1 1 1 -5  13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  14 1  f 377.3917 3.931070  1421.595       29.55785  1490.235       44.14292  1365.807       39.79639  16.40030       7.862139  
1 1 1 -5  14 2  o 71.81342 0.8423961 51.57450       1.209869  51.85468       1.719284  51.29965       1.702861  0.3863754      1.684792  
1 1 1 -5  14 3  o 201.5179 2.116649  405.8368       8.521983  417.0734       12.39587  395.7663       11.73507  5.279724       4.233298  
1 1 1 -5  14 4  o 151.1032 2.274955  228.3359       6.871499  233.0260       9.912261  223.9966       9.534289  2.983505       4.549910  
1 1 1 -5  14 5  o 270.5366 2.821608  732.6946       15.26625  728.6506       21.46565  736.8334       21.71601  -1.508759      5.643215  
1 1 1 -5  14 6  f 294.3433 3.065817  867.4367       18.04578  859.6901       25.28079  875.4843       25.76733  -2.675201      6.131635  
1 1 1 -5  14 7  o 428.5798 4.454462  1837.717       38.09941  1908.229       56.12450  1777.452       51.88614  15.15720       8.908923  
1 1 1 -5  14 8  o 78.37589 0.9004108 61.24879       1.408444  58.70678       1.917650  64.22613       2.075368  -3.520309      1.800822  
1 1 1 -5  14 9  o 64.41138 0.7769364 41.46039       1.000369  42.46863       1.442919  40.52724       1.388142  1.506786       1.553873  
1 1 1 -5  14 10 o 223.5744 2.341717  499.6004       10.45833  486.6905       14.37389  514.1228       15.24517  -6.122894      4.683434  
1 1 1 -5  14 11 o 253.5501 2.647094  643.5494       13.42123  650.0112       19.18858  637.3606       18.77902  2.487930       5.294187  
1 1 1 -5  14 12 o 273.1962 2.849834  745.2963       15.53134  776.8971       22.96788  718.6711       21.08231  10.62076       5.699669  
1 1 1 -5  14 13 o 289.1880 3.013670  837.0443       17.41624  856.3318       25.24446  819.5259       24.05886  6.338226       6.027340  
1 1 1 -5  14 14 o 180.4010 1.901594  325.1929       6.852096  316.3620       9.407497  335.1719       10.00030  -5.204758      3.803189  
1 1 1 -5  14 15 o 246.2802 2.574122  607.3670       12.67769  602.2045       17.77019  612.7184       18.09207  -2.127899      5.148243  
1 1 1 -5  14 16 o 176.4393 1.861561  311.4524       6.567273  307.4577       9.160627  315.6764       9.419848  -2.325134      3.723123  
1 1 1 -5  14 17 o 226.9490 2.376551  514.8348       10.77161  500.5106       14.76724  531.1221       15.74658  -6.725891      4.753101  
1 1 1 -5  14 18 f 291.6414 3.040196  852.2509       17.73224  848.0638       24.94435  856.5281       25.21214  -1.444763      6.080393  
1 1 1 -5  14 19 o 174.6688 1.844806  305.1693       6.441691  310.6052       9.278841  300.1121       8.949916  2.998688       3.689613  
1 1 1 -5  14 20 o 265.6216 2.773571  706.8302       14.73304  701.6190       20.66827  712.2136       21.00721  -1.986023      5.547143  
1 1 1 -5  14 21 o 169.5892 1.793551  287.6665       6.080248  282.5594       8.438759  293.1802       8.768242  -3.125900      3.587101  
1 1 1 -5  14 22 o 169.2417 2.209841  283.3169       6.921335  295.9877       12.55298  277.7823       8.296368  5.288742       4.419682  
1 1 1 -5  14 23 o 121.5510 1.867413  145.2261       4.473998  163.2971       7.088897  133.2628       5.767847  12.32888       3.734826  
1 1 1 -5  14 24 o 178.3595 2.665653  318.7323       9.506461  322.6980       13.62912  314.9747       13.26655  2.154480       5.331305  
1 1 1 -5  14 25 o 179.7458 2.344933  319.2723       7.784937  312.4470       9.312938  335.1054       14.18433  -6.171219      4.689866  
1 1 1 -5  14 26 o 237.8856 3.056579  567.7629       13.70633  567.6223       16.78366  568.0447       23.74884  0.1831360      6.113157  
1 1 1 -5  14 27 o 91.19824 1.456644  83.11390       2.653640  80.72107       3.645857  85.80967       3.869771  -2.784981      2.913288  
1 1 1 -5  14 28 o 148.3842 2.243366  220.4717       6.652237  215.6340       9.188922  225.7991       9.642853  -3.408737      4.486732  
1 1 1 -5  14 29 o 124.7172 1.915612  155.8310       4.777926  154.9840       6.714866  156.6997       6.799955  -0.6847992     3.831224  
1 1 1 -5  14 30 o 129.0093 1.972928  166.1787       5.074617  159.0531       6.857990  174.8015       7.544169  -6.074020      3.945856  
1 1 1 -5  14 31 o 52.51576 0.8722925 28.20428       0.8827420 25.10529       1.410633  30.19894       1.131718  -4.855465      1.744585  
1 1 1 -5  14 32 o 120.4128 1.312825  145.1691       3.161237  143.4957       4.428739  146.9074       4.513805  -1.413467      2.625650  
1 1 1 -5  14 33 o 123.4355 1.341959  152.5181       3.311284  149.5657       4.596517  155.7033       4.774265  -2.478325      2.683917  
1 1 1 -5  14 34 o 69.75911 0.8486617 48.69844       1.184005  48.68312       1.680565  48.71354       1.668373  -0.2217102E-01 1.697323  
1 1 1 -5  14 35 o 115.1081 1.263172  132.6354       2.905787  135.5909       4.209234  129.9446       4.016355  2.442276       2.526345  
1 1 1 -5  14 36 o 51.08673 0.7164350 26.11700       0.7318636 26.05330       1.044711  26.17839       1.025577  -0.1230545     1.432870  
1 1 1 -5  14 37 o 45.88474 0.7023150 21.03629       0.6438823 21.78271       0.9362116 20.36635       0.8869577 1.541683       1.404630  
1 1 1 -5  14 38 f 122.2067 1.336840  149.5373       3.264024  145.3506       4.493603  154.2135       4.749035  -3.607887      2.673679  
1 1 1 -5  14 39 o 89.47644 1.029368  80.11946       1.840551  82.00183       2.668792  78.41207       2.541720  1.998535       2.058735  
1 1 1 -5  14 40 o 24.27953 0.7489309 5.918411       0.3618883 5.706189       0.5334477 6.099352       0.4925678 -0.8116798     1.497862  
1 1 1 -5  14 41 o 36.31725 0.7405034 13.21906       0.5372192 13.80293       0.7542366 12.61783       0.7653709 1.632168       1.481007  
1 1 1 -5  14 42 f 88.46600 1.026058  78.29235       1.813255  75.43621       2.490910  81.51196       2.644651  -3.421608      2.052116  
1 1 1 -5  14 43 o 93.42789 1.073238  87.52569       2.005155  87.91588       2.861210  87.14909       2.810892  0.4057312      2.146476  
1 1 1 -5  14 44 f 109.6039 1.225930  120.2645       2.680566  125.5443       3.963100  115.8121       3.639343  4.400970       2.451861  
1 1 1 -5  14 45 o 45.70692 0.7341152 20.92740       0.6708348 20.21547       0.9464608 21.64611       0.9509627 -1.564667      1.468230  
1 1 1 -5  14 46 o 80.72601 0.9700870 65.19781       1.563856  62.42791       2.140751  68.36752       2.290041  -3.662415      1.940174  
1 1 1 -5  14 47 f 67.98569 0.8739660 46.01366       1.183438  42.79377       1.587855  50.03730       1.775007  -5.306915      1.747932  
1 1 1 -5  14 48 o 22.08687 0.8877952 4.884880       0.3899822 4.967369       0.5853857 4.819056       0.5229215 0.3282967      1.775590  
1 1 1 -5  14 49 o 67.15639 0.8763027 45.19054       1.175610  46.15162       1.711361  44.33175       1.617715  1.343445       1.752605  
1 1 1 -5  14 50 f 12.28872 1.844963  2.038932       0.4130900 0.5111480      0.8386804 2.528299       0.4746603 -7.150181      3.689926  
1 1 1 -5  14 51 o 41.74557 1.146741  17.58444       0.9504983 17.07798       1.421110  17.99441       1.278575  -1.124390      2.293482  
1 1 1 -5  14 52 o 67.93975 0.8966858 46.34982       1.218209  45.86200       1.732742  46.82660       1.713043  -0.7130127     1.793372  
1 1 1 -5  14 53 f 21.19319 1.121264  4.630606       0.4634794 5.288393       0.6223531 3.811518       0.6944802 3.498661       2.242528  
1 1 1 -5  14 54 o 16.24015 1.502256  2.674040       0.4855506 2.636150       0.7202948 2.705597       0.6573575 -0.2325191     3.004512  
1 1 1 -5  14 55 o 33.42007 1.073007  11.22590       0.7162408 10.45286       0.9911033 12.07095       1.036239  -2.410393      2.146013  
1 1 1 -5  14 56 o 45.63729 1.091075  20.96925       0.9947207 21.24637       1.445914  20.72026       1.370601  0.5582619      2.182151  
1 1 1 -5  14 57 f 23.46441 1.261709  5.584058       0.5896726 5.292545       0.8592289 5.843591       0.8107289 -1.188749      2.523417  
1 1 1 -5  14 58 f 45.15099 1.094285  20.38180       0.9838404 22.60087       1.476364  18.60915       1.319529  4.378059       2.188569  
1 1 1 -5  14 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  15 1  o 180.5232 2.694710  326.2632       9.727921  323.4843       13.62826  329.1500       13.89019  -1.564758      5.389421  
1 1 1 -5  15 2  o 268.8915 2.804565  724.0326       15.08227  725.9088       21.39520  722.1791       21.26450  0.6911926      5.609130  
1 1 1 -5  15 3  o 73.08636 0.8735704 53.41131       1.276768  54.49489       1.820600  52.36267       1.791010  1.458542       1.747141  
1 1 1 -5  15 4  f 180.5786 1.905095  323.8616       6.837493  347.3658       10.38801  305.8947       9.082333  11.46692       3.810189  
1 1 1 -5  15 5  o 172.2329 1.819660  296.8018       6.267758  298.6703       8.920589  294.9800       8.808372  1.069977       3.639319  
1 1 1 -5  15 6  o 280.4375 2.924089  786.4286       16.37733  810.8328       23.93315  764.9380       22.45915  8.154022       5.848177  
1 1 1 -5  15 7  o 224.6393 2.351519  504.1482       10.54669  488.8364       14.41796  521.7712       15.46787  -7.313675      4.703039  
1 1 1 -5  15 8  o 178.6941 1.885868  318.5398       6.722106  332.7795       9.948754  306.5779       9.118413  7.320267       3.771737  
1 1 1 -5  15 9  o 234.9982 2.457674  552.3025       11.53946  539.5236       15.90059  566.5219       16.77285  -5.728500      4.915347  
1 1 1 -5  15 10 o 240.4935 2.514037  579.1668       12.09216  579.8672       17.12507  578.4703       17.07682  0.2895050      5.028074  
1 1 1 -5  15 11 o 140.4872 1.501550  195.8897       4.190937  184.6875       5.556247  210.6743       6.383184  -9.238907      3.003101  
1 1 1 -5  15 12 o 126.1955 1.359849  159.3177       3.432094  158.8038       4.838828  159.8380       4.868738  -0.4094315     2.719698  
1 1 1 -5  15 13 o 96.11543 1.067081  91.10264       2.028847  101.0186       3.163718  84.17629       2.644130  8.757065       2.134162  
1 1 1 -5  15 14 f 125.5269 1.351787  157.4681       3.390754  161.4042       4.920040  153.9075       4.679498  2.983551       2.703575  
1 1 1 -5  15 15 o 100.0327 1.105027  100.0613       2.210240  101.4373       3.168217  98.75668       3.084950  1.339157       2.210055  
1 1 1 -5  15 16 o 252.5516 2.639335  638.5500       13.32621  649.0226       19.16886  628.7542       18.53912  3.999176       5.278671  
1 1 1 -5  15 17 o 138.4955 1.482244  191.6625       4.101246  197.0518       5.968920  186.8427       5.644724  3.681580       2.964489  
1 1 1 -5  15 18 o 98.34487 1.097644  95.58606       2.139503  88.65485       2.807179  105.1923       3.304786  -8.402969      2.195288  
1 1 1 -5  15 19 o 188.2088 2.564895  354.6465       9.456953  355.7922       14.97598  353.8867       12.19628  0.4402313      5.129789  
1 1 1 -5  15 20 o 103.5136 1.611798  106.8174       3.327593  102.0333       4.506740  112.5519       4.934096  -5.074020      3.223596  
1 1 1 -5  15 21 o 222.4284 3.303020  495.6014       14.67432  510.0578       21.41857  482.8128       20.14517  6.080399       6.606041  
1 1 1 -5  15 22 o 197.2368 2.504858  395.3304       9.599607  415.7173       12.38667  364.6713       15.19004  13.01653       5.009717  
1 1 1 -5  15 23 f 84.18169 0.9632874 70.71152       1.618738  73.61874       2.379554  68.20728       2.208488  3.212234       1.926575  
1 1 1 -5  15 24 o 253.6620 2.653625  645.0437       13.46200  647.9089       19.13408  642.2352       18.94363  1.111923       5.307250  
1 1 1 -5  15 25 o 39.57116 0.6561378 15.03583       0.5081079 18.97111       0.8291138 12.66897       0.6430014 7.961269       1.312276  
1 1 1 -5  15 26 o 154.1287 1.642503  237.8420       5.063103  237.0750       7.144576  238.6159       7.176146  -0.4990692     3.285006  
1 1 1 -5  15 27 o 41.45029 0.6602069 17.05952       0.5447491 18.46372       0.8203660 15.95202       0.7285621 3.028728       1.320414  
1 1 1 -5  15 28 o 191.1008 2.016829  366.0302       7.707928  363.7584       10.83232  368.3603       10.97030  -1.198349      4.033659  
1 1 1 -5  15 29 o 67.74670 0.8286169 45.86993       1.121734  46.97638       1.627681  44.86907       1.548056  1.553757       1.657234  
1 1 1 -5  15 30 o 178.2042 1.888057  318.3087       6.727502  314.2280       9.388379  322.6157       9.645063  -2.340668      3.776114  
1 1 1 -5  15 31 o 101.7134 1.390866  103.1385       2.651964  102.2317       3.222934  105.0400       4.666728  -1.319496      2.781733  
1 1 1 -5  15 32 o 59.70928 1.083191  35.35782       1.286456  32.59557       1.713239  38.92865       1.947916  -5.294697      2.166383  
1 1 1 -5  15 33 o 63.93076 1.134140  40.90863       1.449600  40.29301       2.017606  41.56548       2.084098  -0.9923859     2.268280  
1 1 1 -5  15 34 o 108.0158 1.690773  116.9019       3.647895  120.5908       5.323894  113.6373       5.008357  3.195328       3.381547  
1 1 1 -5  15 35 o 18.15826 1.148472  3.323144       0.4130803 3.137921       0.6187317 3.472091       0.5548438 -0.9235401     2.296945  
1 1 1 -5  15 36 o 74.56422 1.257796  55.63050       1.873467  57.54415       2.732180  53.93219       2.573867  2.412018       2.515592  
1 1 1 -5  15 37 o 8.971032 1.605456  0.9117687      0.2969360 0.3977974      0.5422372 1.131916       0.3548760 -3.313634      3.210912  
1 1 1 -5  15 38 o 82.00790 0.9649023 67.14659       1.578525  70.14306       2.334939  64.62433       2.142233  3.354004       1.929805  
1 1 1 -5  15 39 o 75.09744 0.9075946 56.35403       1.360368  58.43381       2.001694  54.56900       1.854436  2.564186       1.815189  
1 1 1 -5  15 40 o 45.85776 1.027627  20.44583       0.9240825 24.29428       1.498045  18.08194       1.174074  6.750111       2.055253  
1 1 1 -5  15 41 o 51.51014 0.7437980 26.44986       0.7645644 24.43235       1.043498  28.78831       1.123437  -4.223564      1.487596  
1 1 1 -5  15 42 o 59.75980 0.8001993 35.75431       0.9556821 36.11009       1.381390  35.42770       1.323542  0.5669518      1.600399  
1 1 1 -5  15 43 o 52.81858 0.7636630 27.65024       0.8012022 30.42471       1.223467  25.56706       1.060144  4.586239       1.527326  
1 1 1 -5  15 44 o 47.24459 0.7380261 22.36524       0.6966229 22.15730       1.005940  22.55686       0.9656426 -0.4259911     1.476052  
1 1 1 -5  15 45 o 41.74023 0.7268198 17.16737       0.6007521 19.50351       0.9332783 15.51453       0.7850124 4.766125       1.453640  
1 1 1 -5  15 46 o 69.08305 0.8815818 47.84564       1.217603  48.16256       1.748200  47.54707       1.696850  0.4398727      1.763164  
1 1 1 -5  15 47 f 45.57573 0.7601346 20.79958       0.6916337 19.12299       0.9634172 22.58256       0.9935123 -3.792347      1.520269  
1 1 1 -5  15 48 o 24.23520 1.357567  6.078905       0.6395582 4.936137       0.9625519 6.982206       0.8557778 -4.240957      2.715135  
1 1 1 -5  15 49 o 54.84615 1.179153  30.29074       1.291597  29.38143       1.858919  31.13945       1.795898  -1.613556      2.358306  
1 1 1 -5  15 50 o 54.41623 0.8079246 29.70532       0.8788506 28.55529       1.240114  30.86567       1.245670  -2.122158      1.615849  
1 1 1 -5  15 51 o 47.49259 0.7828943 22.60442       0.7423409 22.94838       1.085778  22.30252       1.017228  0.6705170      1.565789  
1 1 1 -5  15 52 o 68.86996 0.9717413 47.76151       1.335385  49.84746       1.854645  45.51589       1.924321  3.156845       1.943483  
1 1 1 -5  15 53 o 27.13618 1.144826  7.405609       0.6206377 7.654673       0.9039080 7.183459       0.8536731 0.8569756      2.289652  
1 1 1 -5  15 54 o 34.33879 1.074385  11.89711       0.7362449 11.21409       1.054131  12.54763       1.028748  -1.947407      2.148769  
1 1 1 -5  15 55 o 64.23015 1.226942  41.63134       1.575855  41.06202       2.203445  42.22742       2.254629  -0.8933525     2.453884  
1 1 1 -5  15 56 o 64.88343 1.230689  42.47871       1.596190  41.28645       2.214039  43.76907       2.303316  -1.887554      2.461378  
1 1 1 -5  15 57 f 55.01925 1.158802  30.55356       1.274907  30.22035       1.783073  30.90208       1.823590  -0.6077271     2.317605  
1 1 1 -5  15 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  16 1  o 128.2859 1.380234  164.5087       3.538892  161.1763       4.897679  168.1493       5.119163  -2.715263      2.760468  
1 1 1 -5  16 2  o 174.8477 1.845164  305.9429       6.452260  307.3476       9.167542  304.5640       9.082796  0.7947693      3.690328  
1 1 1 -5  16 3  o 258.4572 2.699335  667.7441       13.92878  647.4564       19.03610  691.1227       20.43471  -8.417084      5.398671  
1 1 1 -5  16 4  o 153.9003 1.633644  236.7847       5.024592  231.8364       6.946421  242.2150       7.276778  -3.367508      3.267287  
1 1 1 -5  16 5  o 287.3762 2.997065  825.7118       17.19271  855.8298       25.26580  799.7394       23.46254  9.715363       5.994130  
1 1 1 -5  16 6  o 107.6277 1.176199  115.4456       2.524403  121.2381       3.746881  110.6308       3.416094  4.924606       2.352399  
1 1 1 -5  16 7  o 102.9107 1.131473  105.9210       2.328540  106.9206       3.323854  104.9576       3.263092  0.9531631      2.262945  
1 1 1 -5  16 8  o 226.6008 2.372252  513.0996       10.73265  497.6454       14.67345  530.8799       15.73904  -7.313217      4.744503  
1 1 1 -5  16 9  o 209.9769 2.202408  441.3691       9.248955  439.9785       13.03679  442.7783       13.12364  -0.6652069     4.404816  
1 1 1 -5  16 10 o 135.4090 1.451160  182.1873       3.907961  194.8514       5.914606  172.3749       5.206289  8.291489       2.902319  
1 1 1 -5  16 11 o 117.3313 1.276231  137.5913       2.992837  140.9843       4.329465  134.4861       4.141791  2.767281       2.552461  
1 1 1 -5  16 12 o 161.0886 1.708732  258.7791       5.489212  270.8517       8.142285  248.7208       7.432071  6.859406       3.417463  
1 1 1 -5  16 13 f 129.3224 1.391907  167.2871       3.599540  169.0959       5.145256  165.5533       5.037489  1.368423       2.783814  
1 1 1 -5  16 14 f 179.7691 1.897083  323.0477       6.813411  331.8813       9.914594  315.1428       9.378942  4.646637       3.794167  
1 1 1 -5  16 15 o 197.2919 2.558723  385.4713       9.353185  401.5895       16.91585  378.3736       11.22519  5.754074       5.117445  
1 1 1 -5  16 16 o 227.7941 3.379046  518.9815       15.35666  540.5336       22.68780  500.7586       20.86209  8.673264       6.758093  
1 1 1 -5  16 17 o 53.72680 1.013768  27.81728       1.064574  33.99040       1.747520  24.17444       1.342424  9.131081       2.027536  
1 1 1 -5  16 18 o 416.6422 6.173814  1754.865       51.44163  1766.478       73.28259  1743.583       72.22777  2.681122       12.34763  
1 1 1 -5  16 19 o 97.82568 1.350494  93.39989       2.416110  90.13831       2.859697  101.5355       4.516507  -5.801605      2.700988  
1 1 1 -5  16 20 o 277.4124 2.898484  771.5518       16.08025  766.3619       22.57241  776.8997       22.91322  -1.888275      5.796969  
1 1 1 -5  16 21 o 129.0687 1.391585  165.6919       3.574383  176.3904       5.386457  157.2741       4.777955  7.395424       2.783170  
1 1 1 -5  16 22 o 169.7219 1.799407  287.4743       6.091468  300.3755       9.020393  276.6588       8.259131  6.969299       3.598813  
1 1 1 -5  16 23 f 27.29887 0.6738888 7.311572       0.3640762 8.942039       0.5577044 6.100692       0.4806161 5.203396       1.347778  
1 1 1 -5  16 24 o 115.5158 1.262982  133.3273       2.914391  129.5440       4.004943  137.5857       4.249021  -3.475891      2.525963  
1 1 1 -5  16 25 o 131.9464 1.423138  174.1974       3.754421  171.5585       5.232147  176.9984       5.390498  -2.057571      2.846276  
1 1 1 -5  16 26 f 167.3509 1.776257  280.5233       5.944604  278.1900       8.338026  282.9354       8.477592  -1.412903      3.552514  
1 1 1 -5  16 27 o 55.42554 0.7343521 30.71000       0.8134661 31.24722       1.176524  30.21795       1.125970  0.9276848      1.468704  
1 1 1 -5  16 28 o 97.23277 1.089037  94.33589       2.112530  98.49115       3.122598  90.82896       2.868666  3.933235       2.178075  
1 1 1 -5  16 29 o 160.8056 1.713023  259.1271       5.507919  255.7622       7.687356  262.6768       7.895563  -2.139603      3.426046  
1 1 1 -5  16 30 o 18.18539 0.8449893 3.208165       0.2955683 4.726220       0.4604173 2.144014       0.3854867 7.097651       1.689979  
1 1 1 -5  16 31 o 217.0536 2.288228  473.5017       9.932649  470.1573       13.94645  476.9443       14.14953  -1.547333      4.576456  
1 1 1 -5  16 32 o 19.83572 0.7802399 3.982474       0.3058580 3.384594       0.4420156 4.531741       0.4236647 -2.892197      1.560480  
1 1 1 -5  16 33 o 58.03983 0.7633021 33.30508       0.8800536 30.28252       1.164912  37.32373       1.343213  -6.059719      1.526604  
1 1 1 -5  16 34 f 63.89861 0.8067206 40.86143       1.030645  41.04567       1.477600  40.68687       1.438299  0.2792473      1.613441  
1 1 1 -5  16 35 o 167.2745 1.785417  281.1102       5.973022  280.0700       8.422065  282.1628       8.472417  -0.6208801     3.570833  
1 1 1 -5  16 36 o 120.8123 1.324163  146.0983       3.194787  150.8094       4.672410  141.9619       4.378153  3.640350       2.648326  
1 1 1 -5  16 37 o 124.0218 1.678162  151.8349       3.835222  147.7452       4.574478  161.5110       7.036302  -5.306427      3.356324  
1 1 1 -5  16 38 o 32.87973 0.9492223 10.65777       0.6191280 12.61096       0.9441456 9.184229       0.8200653 5.202850       1.898445  
1 1 1 -5  16 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  16 40 o 23.71315 1.052229  5.606244       0.4968707 5.959158       0.7456816 5.324425       0.6663536 1.331638       2.104457  
1 1 1 -5  16 41 o 95.95782 1.550977  92.61700       2.976316  93.28053       4.242158  91.97375       4.176895  0.6720810      3.101954  
1 1 1 -5  16 42 o 37.66281 0.9747327 14.22883       0.7338489 13.97640       1.048736  14.47103       1.027236  -0.6587257     1.949465  
1 1 1 -5  16 43 o 51.76901 0.9153359 26.98766       0.8963459 26.49310       1.534965  27.24357       1.104162  -0.7657127     1.830672  
1 1 1 -5  16 44 o 57.68744 0.8053856 33.25262       0.9278527 31.13332       1.275020  35.63836       1.352795  -3.897568      1.610771  
1 1 1 -5  16 45 o 77.82099 1.031829  60.80824       1.583052  60.65966       2.452888  60.91432       2.072440  -0.2120667     2.063658  
1 1 1 -5  16 46 o 35.17037 1.142278  12.55998       0.7933065 11.43456       1.187358  13.46746       1.066205  -2.908466      2.284557  
1 1 1 -5  16 47 o 26.49435 1.011413  6.916190       0.5147223 6.598450       0.6373250 7.512192       0.8728686 -1.691465      2.022826  
1 1 1 -5  16 48 o 37.48061 0.7686703 14.10294       0.5751841 13.65125       0.8301396 14.52001       0.7976964 -1.162586      1.537341  
1 1 1 -5  16 49 o 85.08943 1.025428  72.75056       1.744942  72.21688       2.476168  73.27701       2.459358  -0.6257019     2.050855  
1 1 1 -5  16 50 o 91.46274 1.083795  84.12943       1.981854  84.63122       2.843969  83.65568       2.763301  0.5179367      2.167590  
1 1 1 -5  16 51 o 70.42204 0.9867230 49.69203       1.377960  48.76599       1.825621  50.91810       2.100656  -1.479721      1.973446  
1 1 1 -5  16 52 o 17.21233 1.370919  3.006472       0.4651541 3.663548       0.6684092 2.389420       0.6477324 3.695786       2.741839  
1 1 1 -5  16 53 f 78.96152 1.378666  63.00687       2.176682  61.85289       3.036803  64.22614       3.121531  -1.478928      2.757332  
1 1 1 -5  16 54 o 31.50457 1.107700  9.955526       0.6956782 10.55985       1.035918  9.459099       0.9388971 1.723120       2.215400  
1 1 1 -5  16 55 o 45.87617 1.089461  21.17667       0.9987982 20.11590       1.383799  22.33029       1.443093  -2.398590      2.178922  
1 1 1 -5  16 56 o 16.59764 1.709446  2.907981       0.5403703 2.426058       0.8047637 3.303662       0.7292087 -2.894621      3.418893  
1 1 1 -5  16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  17 1  o 292.1556 3.047736  855.3093       17.80760  850.8824       25.05411  859.8291       25.31543  -1.524750      6.095472  
1 1 1 -5  17 2  o 195.5055 2.055836  382.3173       8.033722  390.0749       11.60473  375.1779       11.13275  3.802094       4.111672  
1 1 1 -5  17 3  o 285.0028 2.972390  813.7037       16.93938  822.9409       24.24863  804.8995       23.67353  3.151428       5.944781  
1 1 1 -5  17 4  o 293.7493 3.063994  864.7292       18.00082  862.9399       25.40601  866.5328       25.50832  -0.6090393     6.127988  
1 1 1 -5  17 5  o 262.6093 2.742042  690.6612       14.39869  698.7022       20.61723  683.0051       20.11762  2.977478       5.484085  
1 1 1 -5  17 6  o 141.8779 1.515620  200.5299       4.285335  211.3085       6.392456  191.7323       5.775199  6.891235       3.031240  
1 1 1 -5  17 7  o 193.2186 2.032663  373.6013       7.853195  369.2522       10.96749  378.1775       11.25009  -2.304794      4.065325  
1 1 1 -5  17 8  o 292.1435 3.046813  855.3575       17.80125  850.7894       25.02670  860.0356       25.32550  -1.574646      6.093625  
1 1 1 -5  17 9  o 286.4899 2.989781  822.1552       17.12334  808.7912       23.79748  836.5026       24.65755  -4.813751      5.979561  
1 1 1 -5  17 10 o 168.0722 1.781267  282.5801       5.985170  278.4610       8.323393  286.9904       8.612632  -2.532806      3.562534  
1 1 1 -5  17 11 o 196.5627 2.068472  386.2886       8.122747  376.6581       11.17762  397.0656       11.82424  -5.178909      4.136944  
1 1 1 -5  17 12 o 94.33060 1.292046  88.77869       2.294831  89.74038       3.996784  88.30573       2.802893  0.7463531      2.584092  
1 1 1 -5  17 13 o 151.1417 2.276147  227.7832       6.855675  239.7734       10.22789  218.0011       9.238245  7.181152       4.552294  
1 1 1 -5  17 14 o 150.6740 2.268245  226.9830       6.826334  220.5412       9.369483  234.2710       9.965884  -4.542725      4.536490  
1 1 1 -5  17 15 o 154.0714 2.020332  234.6881       5.764386  229.9499       6.912235  245.5080       10.44546  -4.976120      4.040663  
1 1 1 -5  17 16 o 59.65084 0.7611811 35.55964       0.9076247 34.73453       1.258882  36.45283       1.309780  -1.439884      1.522362  
1 1 1 -5  17 17 o 185.4428 1.955950  343.9899       7.248760  336.7493       10.01868  351.9444       10.50090  -4.086487      3.911899  
1 1 1 -5  17 18 o 161.8947 1.719516  261.1574       5.546342  275.4868       8.289207  249.5417       7.463098  7.996445       3.439032  
1 1 1 -5  17 19 o 73.70571 0.8798550 54.23841       1.295444  56.36046       1.889581  52.35652       1.779445  2.714966       1.759710  
1 1 1 -5  17 20 o 221.9118 2.329854  493.1484       10.33464  484.1856       14.33062  502.8608       14.91784  -4.189148      4.659708  
1 1 1 -5  17 21 o 216.9270 2.278784  471.4928       9.884350  465.9856       13.80349  477.2886       14.16051  -2.592926      4.557568  
1 1 1 -5  17 22 o 133.5442 1.439923  177.7358       3.832247  169.9042       5.165188  187.3260       5.715773  -6.510086      2.879846  
1 1 1 -5  17 23 o 55.18715 0.7349690 30.46594       0.8111458 30.32037       1.153167  30.60850       1.141193  -0.2612000     1.469938  
1 1 1 -5  17 24 o 126.3216 1.367621  159.6647       3.453964  157.0639       4.807469  162.4394       4.965657  -2.123390      2.735242  
1 1 1 -5  17 25 f 72.29649 0.8674959 52.10592       1.251094  54.80238       1.851909  49.84205       1.696868  3.427528       1.734992  
1 1 1 -5  17 26 o 74.66815 0.8843821 55.77303       1.320438  56.28831       1.889740  55.28142       1.845798  0.6732864      1.768764  
1 1 1 -5  17 27 o 95.61272 1.076267  91.01137       2.049302  96.62355       3.073979  86.52174       2.749408  5.272766       2.152534  
1 1 1 -5  17 28 o 47.21428 0.6849528 22.19780       0.6446267 23.52774       0.9605200 21.10788       0.8695353 2.560635       1.369906  
1 1 1 -5  17 29 o 134.2710 1.448184  180.4843       3.886186  176.4988       5.374359  184.8517       5.626070  -3.098022      2.896367  
1 1 1 -5  17 30 o 45.78996 0.6828280 20.79553       0.6219147 22.70954       0.9416386 19.31466       0.8282687 3.704056       1.365656  
1 1 1 -5  17 31 o 30.61543 0.6697237 9.347871       0.4072390 7.906370       0.5592026 10.97566       0.5942389 -5.011625      1.339447  
1 1 1 -5  17 32 o 68.47891 0.8433953 46.54920       1.149393  43.17031       1.535003  50.86156       1.734124  -5.608040      1.686791  
1 1 1 -5  17 33 o 32.38795 0.6771511 10.49649       0.4369063 9.292521       0.6089416 11.77382       0.6272216 -3.829979      1.354302  
1 1 1 -5  17 34 o 71.37337 0.8698633 50.85258       1.238884  53.09583       1.827773  48.94609       1.685014  2.900429       1.739727  
1 1 1 -5  17 35 o 170.3242 1.818587  291.6075       6.194710  289.8351       8.710824  293.4211       8.811325  -1.042465      3.637174  
1 1 1 -5  17 36 o 96.56746 1.097262  93.22634       2.115729  89.67207       2.892942  97.31339       3.102191  -3.941956      2.194523  
1 1 1 -5  17 37 o 81.41280 0.9628105 66.36938       1.567283  64.93966       2.185988  67.88174       2.248269  -1.802681      1.925621  
1 1 1 -5  17 38 o 53.66000 1.080331  28.86883       1.158436  28.71881       1.670574  29.00779       1.607782  -0.2742081     2.160662  
1 1 1 -5  17 39 o 54.18638 0.7629841 29.38467       0.8265104 28.20264       1.155000  30.62521       1.183236  -2.233631      1.525968  
1 1 1 -5  17 40 o 73.45813 0.9033507 54.01543       1.326432  52.30962       1.839149  55.86456       1.914856  -2.413582      1.806701  
1 1 1 -5  17 41 o 67.14661 0.8550916 45.08588       1.147074  43.05424       1.578436  47.35962       1.669836  -3.198013      1.710183  
1 1 1 -5  17 42 f 27.28816 0.7704737 7.490717       0.4180741 7.121634       0.6161984 7.805534       0.5690985 -1.256947      1.540947  
1 1 1 -5  17 43 o 79.02382 1.263402  62.91764       1.950806  62.07976       3.098770  63.46772       2.510798  -0.9631500     2.526803  
1 1 1 -5  17 44 o 19.12517 2.374722  3.694241       0.9083393 3.694241       0.9083393 ?              ?         ?              ?         
1 1 1 -5  17 45 o 17.60176 1.347227  3.130510       0.4634776 2.315346       0.6378917 4.042074       0.6745565 -4.898484      2.694454  
1 1 1 -5  17 46 o 7.455971 2.010400  0.3798956      0.4130291 0.5168772      0.6337869 0.2787755      0.5445412 1.165488       4.020800  
1 1 1 -5  17 47 o 69.02911 1.243676  47.87129       1.715087  46.23861       2.358444  49.70383       2.498620  -2.484436      2.487352  
1 1 1 -5  17 48 o 34.65608 1.017554  12.02949       0.7038185 11.01000       0.9682183 13.17184       1.024898  -3.109756      2.035109  
1 1 1 -5  17 49 o 54.06168 1.102235  29.37969       1.191281  28.54858       1.656322  30.27036       1.714643  -1.581123      2.204471  
1 1 1 -5  17 50 o 69.44456 1.092666  48.59869       1.442645  48.24396       2.450729  48.78680       1.784611  -0.5186844     2.185332  
1 1 1 -5  17 51 o 42.64993 0.9523526 18.30298       0.7893530 18.37737       1.005249  18.18337       1.274790  0.2766457      1.904705  
1 1 1 -5  17 52 o 68.00890 1.253249  46.65753       1.704430  45.83741       2.388620  47.50829       2.432844  -1.217186      2.506498  
1 1 1 -5  17 53 o 19.31940 1.358468  3.780280       0.5242338 3.608504       0.7473260 3.946695       0.7355710 -0.8788147     2.716936  
1 1 1 -5  17 54 o 25.83368 1.154154  6.717829       0.5932038 5.818278       0.8191324 7.709859       0.8602080 -3.650293      2.308309  
1 1 1 -5  17 55 o 50.85072 1.127786  26.02316       1.145445  27.54912       1.672084  24.67385       1.572323  2.798901       2.255573  
1 1 1 -5  17 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  18 1  f 104.9485 1.155021  109.4164       2.411439  117.3438       3.644497  103.2431       3.216115  6.713295       2.310043  
1 1 1 -5  18 2  o 62.25451 0.7713990 38.74593       0.9601483 38.15621       1.337396  39.37316       1.379283  -0.9770966     1.542798  
1 1 1 -5  18 3  o 65.73384 0.8067034 42.62209       1.051622  47.83354       1.620950  38.83430       1.381921  6.843422       1.613407  
1 1 1 -5  18 4  o 168.2417 1.782572  283.2780       5.997826  281.9712       8.438151  284.6123       8.526960  -0.7834320     3.565143  
1 1 1 -5  18 5  o 221.6350 2.325730  491.8607       10.30810  496.1161       14.71111  487.7559       14.44815  1.880295       4.651460  
1 1 1 -5  18 6  o 206.1487 2.166145  424.4460       8.911869  410.2731       12.13795  441.0217       13.12661  -7.437546      4.332290  
1 1 1 -5  18 7  o 116.0178 1.265062  134.0009       2.923689  127.7489       3.929554  141.7534       4.375791  -6.030075      2.530125  
1 1 1 -5  18 8  f 87.72931 1.208282  78.07399       2.050352  72.53011       3.290210  81.59376       2.621638  -5.173500      2.416563  
1 1 1 -5  18 9  o 91.47823 1.445874  83.73140       2.645293  83.92567       3.751202  83.53922       3.730899  0.2109299      2.891749  
1 1 1 -5  18 10 o 52.54524 0.9844131 27.59418       1.034049  28.42142       1.490083  26.82574       1.436140  1.517845       1.968826  
1 1 1 -5  18 11 o 233.9430 3.468364  549.1152       16.22425  555.7246       23.24440  542.8362       22.65603  2.733032       6.936728  
1 1 1 -5  18 12 o 195.9693 2.514346  387.3560       9.405942  393.6233       11.72447  376.0382       15.75561  4.594894       5.028692  
1 1 1 -5  18 13 o 169.9324 1.800665  288.9950       6.118651  285.7225       8.552779  292.4257       8.756994  -1.968231      3.601330  
1 1 1 -5  18 14 o 40.77506 0.6647025 16.46622       0.5393934 14.87369       0.7217450 18.48100       0.8118078 -4.422733      1.329405  
1 1 1 -5  18 15 o 46.87511 0.6905136 21.85452       0.6454294 20.38771       0.8728158 23.62448       0.9587782 -3.451843      1.381027  
1 1 1 -5  18 16 o 131.4822 1.416929  172.9957       3.725954  172.3325       5.250388  173.6685       5.288408  -0.5073853     2.833858  
1 1 1 -5  18 17 o 113.9603 1.247115  129.1550       2.828772  137.7511       4.259492  122.3724       3.783628  6.739212       2.494229  
1 1 1 -5  18 18 o 104.9446 1.160823  110.0067       2.433107  113.6657       3.554708  106.7813       3.337426  3.276230       2.321646  
1 1 1 -5  18 19 o 59.00736 0.7728844 34.08456       0.9000614 39.47001       1.421013  30.47645       1.163127  7.617538       1.545769  
1 1 1 -5  18 20 o 225.3074 2.366234  508.8883       10.66105  504.2045       14.92555  513.7671       15.23316  -2.110001      4.732468  
1 1 1 -5  18 21 o 314.9213 3.293821  996.3127       20.72644  973.9024       28.58191  1021.167       30.10022  -7.411530      6.587642  
1 1 1 -5  18 22 o 49.13697 0.7123028 23.93347       0.6966096 26.48328       1.049823  21.92760       0.9311316 4.633907       1.424606  
1 1 1 -5  18 23 o 61.43970 0.7785955 37.60378       0.9538028 39.73306       1.417808  35.84349       1.289119  3.163052       1.557191  
1 1 1 -5  18 24 o 25.81359 0.6718748 6.700674       0.3443724 5.794862       0.4882848 7.597133       0.4857571 -3.490976      1.343750  
1 1 1 -5  18 25 o 62.54134 0.7878962 38.71272       0.9784064 42.59218       1.497359  35.82222       1.292489  5.407742       1.575792  
1 1 1 -5  18 26 f 94.19901 1.061711  88.27057       1.990489  94.25438       2.998856  83.55824       2.661241  5.665871       2.123422  
1 1 1 -5  18 27 f 45.07580 0.6730227 20.30297       0.6061761 20.86165       0.8804681 19.79952       0.8358001 1.177143       1.346045  
1 1 1 -5  18 28 o 34.68320 0.6592233 11.88687       0.4544602 13.61208       0.6884555 10.55455       0.6050078 4.405743       1.318447  
1 1 1 -5  18 29 f 48.74998 0.6986704 23.77113       0.6809335 24.07168       0.9792252 23.48972       0.9475277 0.5959206      1.397341  
1 1 1 -5  18 30 o 44.99231 0.6850906 20.24605       0.6161781 19.37481       0.8622412 21.15536       0.8808724 -1.978153      1.370181  
1 1 1 -5  18 31 o 83.99542 0.9748112 70.45349       1.634704  67.58185       2.232291  73.77421       2.400504  -3.678200      1.949622  
1 1 1 -5  18 32 o 100.1045 1.124113  100.2609       2.247970  103.0768       3.274687  97.75140       3.091440  2.649170       2.248225  
1 1 1 -5  18 33 f 163.1784 1.745053  267.4592       5.693777  270.5253       8.157302  264.5462       7.951090  1.812347       3.490106  
1 1 1 -5  18 34 o 104.8143 1.171781  110.0960       2.455989  110.9998       3.510547  109.2295       3.437199  0.8394318      2.343562  
1 1 1 -5  18 35 o 92.64221 1.062651  85.78196       1.965438  82.31804       2.683798  89.78845       2.886340  -4.017197      2.125302  
1 1 1 -5  18 36 o 116.5819 1.287705  136.3328       3.001858  137.6374       4.296248  135.0883       4.196062  1.084229       2.575410  
1 1 1 -5  18 37 f 31.29568 1.037135  9.874593       0.6453501 8.949538       0.9325293 10.72481       0.8940142 -2.839361      2.074270  
1 1 1 -5  18 38 o 49.68153 0.7374390 24.67074       0.7319954 23.23962       1.012931  26.23500       1.059000  -3.011707      1.474878  
1 1 1 -5  18 39 o 15.94168 1.096009  2.685070       0.3270972 1.650565       0.4719480 3.641369       0.4537587 -6.245768      2.192018  
1 1 1 -5  18 40 o 100.9706 1.148153  102.0326       2.313760  97.75435       3.150641  107.0411       3.408897  -4.567963      2.296307  
1 1 1 -5  18 41 o 23.68752 1.239721  5.564576       0.5787110 6.050137       0.9137487 5.239361       0.7478086 1.689165       2.479443  
1 1 1 -5  18 42 o 66.74551 1.238968  44.66193       1.651695  41.87157       2.273757  47.77936       2.403325  -4.406754      2.477937  
1 1 1 -5  18 43 o 19.40565 0.9244860 3.774284       0.3574467 3.812592       0.5302590 3.742379       0.4839244 0.1754475      1.848972  
1 1 1 -5  18 44 o 34.41659 0.7495231 11.85954       0.5130361 10.22951       0.7107125 13.63309       0.7413415 -4.941576      1.499046  
1 1 1 -5  18 45 o 59.45470 0.8227782 35.43269       0.9774380 35.70319       1.415761  35.18633       1.351116  0.4271507      1.645556  
1 1 1 -5  18 46 o 17.90798 1.076858  3.334514       0.3713190 2.408334       0.5420806 4.153239       0.5096658 -4.876808      2.153716  
1 1 1 -5  18 47 o 51.37477 0.7928873 25.92711       0.8049734 30.10040       1.263166  23.07338       1.044547  6.810745       1.585775  
1 1 1 -5  18 48 o 16.36380 1.155798  2.621986       0.3730550 3.221879       0.5872672 2.216142       0.4830343 3.051844       2.311595  
1 1 1 -5  18 49 o 52.13280 0.8156646 27.24872       0.8497962 25.77247       1.185536  28.80881       1.218738  -2.907284      1.631329  
1 1 1 -5  18 50 f 27.93676 0.9036253 7.839458       0.5048777 7.771346       0.7125899 7.908113       0.7154282 -0.2442856     1.807251  
1 1 1 -5  18 51 o 72.32962 1.299892  52.79806       1.879892  53.94448       2.697648  51.71575       2.621140  1.520454       2.599783  
1 1 1 -5  18 52 o 19.30395 1.356633  3.774389       0.5228270 3.523100       0.7404425 4.024253       0.7383400 -1.298691      2.713265  
1 1 1 -5  18 53 o 27.83772 1.164708  7.819068       0.6475720 7.780057       0.9393287 7.854403       0.8939648 -0.1455784     2.329415  
1 1 1 -5  18 54 o 23.93721 1.243257  5.834276       0.5899476 5.011896       0.8417003 6.628402       0.8271148 -3.381058      2.486514  
1 1 1 -5  18 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  19 1  o 53.20267 0.7214344 28.30931       0.7675930 28.26797       1.078931  28.35167       1.092273  -0.7856369E-01 1.442869  
1 1 1 -5  19 2  o 49.09842 0.6910141 23.45756       0.6679466 20.54604       0.8571553 27.95913       1.065814  -7.547634      1.382028  
1 1 1 -5  19 3  o 153.6692 1.636164  236.2784       5.027508  239.1038       7.198815  233.5883       7.024335  1.791473       3.272327  
1 1 1 -5  19 4  o 267.9384 3.432885  720.2341       17.33636  721.4514       30.05415  719.6272       21.22320  0.1208496E-01  6.865771  
1 1 1 -5  19 5  o 282.7762 4.187871  803.9462       23.68265  799.4881       33.24395  808.5401       33.74635  -1.577332      8.375741  
1 1 1 -5  19 6  o 162.1214 2.436587  263.0492       7.894459  256.6056       10.90943  270.1325       11.43823  -4.157471      4.873173  
1 1 1 -5  19 7  f 97.10046 1.523373  94.34045       2.958065  95.25147       4.222222  93.46226       4.145502  0.9200058      3.046746  
1 1 1 -5  19 8  o 191.7746 2.473782  368.5198       8.951721  368.5543       10.97265  368.4512       15.47925  0.1525574      4.947565  
1 1 1 -5  19 9  o 118.5371 1.290441  140.4119       3.056237  144.3326       4.443488  136.8920       4.210279  3.135025       2.580881  
1 1 1 -5  19 10 o 220.4214 2.313076  486.7333       10.19697  487.5659       14.45176  485.9078       14.38981  0.3744049      4.626153  
1 1 1 -5  19 11 o 35.50638 0.6547439 12.60657       0.4648395 13.00259       0.6619606 12.22131       0.6528976 1.100113       1.309488  
1 1 1 -5  19 12 o 97.68914 1.090993  95.41512       2.130549  97.27785       3.070768  93.68612       2.958472  1.836746       2.181987  
1 1 1 -5  19 13 o 143.0847 1.532491  204.2950       4.374555  196.6181       5.939650  213.3958       6.467053  -5.851654      3.064982  
1 1 1 -5  19 14 o 72.11942 0.8667378 51.66020       1.244049  48.51652       1.662247  55.66326       1.875738  -4.952049      1.733476  
1 1 1 -5  19 15 o 60.30853 0.7762067 36.37859       0.9362034 36.11787       1.317114  36.64481       1.330978  -0.4367027     1.552413  
1 1 1 -5  19 16 f 136.1747 1.468103  184.7050       3.982407  176.0455       5.352294  195.4448       5.960640  -7.108505      2.936207  
1 1 1 -5  19 17 o 122.8153 1.335231  150.8149       3.277163  154.5831       4.749360  147.3901       4.527792  2.923378       2.670462  
1 1 1 -5  19 18 o 102.2571 1.136800  104.4862       2.322348  107.6944       3.381686  101.6227       3.194863  2.964851       2.273600  
1 1 1 -5  19 19 o 97.02726 1.087192  94.20796       2.109735  94.01770       2.977893  94.39967       2.989369  -0.1965790     2.174384  
1 1 1 -5  19 20 o 33.64036 0.6758270 10.79028       0.4433195 8.283390       0.5643550 14.82986       0.7163957 -9.727777      1.351654  
1 1 1 -5  19 21 f 46.98200 0.6945082 21.94218       0.6504770 23.94090       0.9677708 20.29513       0.8785191 3.878460       1.389016  
1 1 1 -5  19 22 o 145.7658 1.561924  212.8701       4.553464  212.4120       6.424191  213.3326       6.455063  -0.3144989     3.123848  
1 1 1 -5  19 23 o 18.19172 0.8204592 3.308767       0.2977751 3.638836       0.4280291 2.999188       0.4145302 1.757742       1.640918  
1 1 1 -5  19 24 o 86.64333 0.9953437 75.04981       1.723131  77.09566       2.503970  73.20944       2.374901  2.238426       1.990687  
1 1 1 -5  19 25 o 48.41140 0.6948310 23.05691       0.6661395 26.29452       1.034540  20.76387       0.8706450 5.708218       1.389662  
1 1 1 -5  19 26 o 131.9370 1.426564  174.2842       3.761429  170.3313       5.197792  178.6302       5.450101  -3.131287      2.853129  
1 1 1 -5  19 27 o 24.76211 0.7370255 6.082441       0.3528541 4.157702       0.4730267 8.497007       0.5298091 -8.760216      1.474051  
1 1 1 -5  19 28 o 109.0012 1.204993  118.9974       2.626344  117.3325       3.668009  120.7489       3.762204  -1.561989      2.409985  
1 1 1 -5  19 29 o 40.30033 0.6706472 16.23996       0.5401232 16.51797       0.7820402 15.98640       0.7468720 0.6583748      1.341294  
1 1 1 -5  19 30 o 102.7956 1.149089  105.8110       2.361332  107.8299       3.402467  103.9352       3.279767  1.887062       2.298179  
1 1 1 -5  19 31 o 66.96602 0.8329648 44.79717       1.114221  43.02864       1.529794  46.79539       1.626106  -2.808083      1.665930  
1 1 1 -5  19 32 o 46.03251 0.7026968 21.21119       0.6468049 20.90001       0.9194201 21.51609       0.9100919 -0.6695557     1.405394  
1 1 1 -5  19 33 o 64.55983 0.8276454 41.59675       1.066789  39.41088       1.457320  44.12031       1.565854  -3.641476      1.655291  
1 1 1 -5  19 34 o 64.28316 0.8227665 41.31427       1.056363  42.55789       1.542697  40.21637       1.449501  1.815876       1.645533  
1 1 1 -5  19 35 o 15.50064 1.004046  2.392675       0.3074099 2.500444       0.4781018 2.316719       0.4013798 0.5870285      2.008093  
1 1 1 -5  19 36 o 36.44491 0.7616258 12.85478       0.5455772 10.82029       0.6985882 16.03580       0.8735284 -7.144398      1.523252  
1 1 1 -5  19 37 o 57.07793 0.7841082 32.62938       0.8949480 31.82925       1.262200  33.43830       1.269123  -1.409046      1.568216  
1 1 1 -5  19 38 o 69.00989 1.096606  45.72617       1.349817  52.35521       2.660012  43.42716       1.566489  6.351540       2.193211  
1 1 1 -5  19 39 o 73.08945 1.294402  53.61374       1.890859  51.38383       2.619552  56.03949       2.732159  -3.169609      2.588804  
1 1 1 -5  19 40 o 67.29893 1.061264  45.33314       1.349058  45.09092       1.653249  45.81584       2.333824  -0.4590378     2.122527  
1 1 1 -5  19 41 o 44.16976 0.7383978 19.55189       0.6519035 19.36035       0.9357311 19.73253       0.9087233 -0.4237137     1.476796  
1 1 1 -5  19 42 o 12.03109 1.415277  1.442287       0.3268693 1.928107       0.5055455 1.093294       0.4284806 3.623908       2.830554  
1 1 1 -5  19 43 o 23.22897 0.8742462 5.509605       0.3986255 4.490019       0.5806180 6.418700       0.5482560 -4.155241      1.748492  
1 1 1 -5  19 44 o 43.32705 0.7560906 18.82006       0.6538121 17.25241       0.9161289 20.44728       0.9333721 -3.685047      1.512181  
1 1 1 -5  19 45 o 40.85464 0.7544993 16.75406       0.6155841 16.14930       0.8842751 17.32272       0.8574780 -1.439091      1.508999  
1 1 1 -5  19 46 o 50.79901 0.7868679 25.85441       0.7979733 26.29835       1.168616  25.46660       1.092260  0.8086510      1.573736  
1 1 1 -5  19 47 o 56.29217 0.8207126 31.80716       0.9235066 31.32390       1.321461  32.26849       1.291138  -0.8433990     1.641425  
1 1 1 -5  19 48 o 34.28150 0.7963384 11.51943       0.5395843 13.79548       0.8434075 9.942330       0.7020637 5.599602       1.592677  
1 1 1 -5  19 49 o 39.91330 0.8278456 15.97509       0.6597714 17.28918       0.9485807 14.74364       0.9182726 3.183933       1.655691  
1 1 1 -5  19 50 f 39.18940 0.9836456 15.57586       0.7642385 16.96273       1.047322  13.99633       1.117700  3.798843       1.967291  
1 1 1 -5  19 51 f 26.99989 1.155403  7.291587       0.6213838 8.117633       0.9288617 6.622458       0.8359954 2.745039       2.310807  
1 1 1 -5  19 52 o 44.66904 1.086778  20.07398       0.9701126 21.14192       1.403046  19.09575       1.342827  2.275387       2.173556  
1 1 1 -5  19 53 o 22.63761 1.301252  5.188056       0.5886635 5.137537       0.8473824 5.235175       0.8183675 -0.2251320     2.602504  
1 1 1 -5  19 54 o 34.57792 2.855314  0.000000       0.000000  ?              ?         12.29385       1.974616  ?              ?         
1 1 1 -5  20 1  o 177.7304 3.752991  316.7396       13.34041  316.7396       13.34041  ?              ?         ?              ?         
1 1 1 -5  20 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  20 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  20 4  o 203.9709 4.306094  417.5410       17.56636  417.5410       17.56636  ?              ?         ?              ?         
1 1 1 -5  20 5  o 135.3108 1.802836  180.4122       4.491660  190.7552       8.244105  176.0459       5.356495  5.363770       3.605672  
1 1 1 -5  20 6  o 329.1711 3.437149  1088.630       22.62708  1094.719       32.19108  1082.684       31.81136  1.809479       6.874297  
1 1 1 -5  20 7  o 199.0717 2.100633  396.7875       8.359391  390.1061       11.60545  403.9919       12.05107  -3.473984      4.201266  
1 1 1 -5  20 8  o 152.8481 1.631347  233.2517       4.975963  243.0908       7.335958  224.8672       6.771977  5.947510       3.262695  
1 1 1 -5  20 9  o 217.0859 2.281222  472.2556       9.902964  476.7307       14.15063  467.9601       13.86359  2.009933       4.562444  
1 1 1 -5  20 10 f 52.39805 0.7238212 27.30509       0.7561250 29.48041       1.125408  25.51515       1.020864  3.782578       1.447642  
1 1 1 -5  20 11 o 129.0916 1.394751  166.7937       3.600999  166.5464       5.083976  167.0427       5.101231  -0.1918640     2.789502  
1 1 1 -5  20 12 o 258.0337 2.703598  668.0771       13.95208  665.7261       19.65343  670.4657       19.80994  -0.9114075     5.407197  
1 1 1 -5  20 13 o 90.85730 1.033298  82.51270       1.876300  80.57211       2.594437  84.64059       2.716765  -2.236748      2.066597  
1 1 1 -5  20 14 f 59.17280 0.7670541 34.14616       0.8937723 40.13733       1.425033  30.26113       1.147535  8.341221       1.534108  
1 1 1 -5  20 15 o 33.66824 0.6571655 11.26795       0.4407616 12.77040       0.6503199 9.991389       0.5994456 4.126371       1.314331  
1 1 1 -5  20 16 o 89.57351 1.018816  80.28564       1.825176  80.21581       2.578607  80.35575       2.583778  -0.7800293E-01 2.037632  
1 1 1 -5  20 17 o 77.62502 0.9121092 60.28880       1.416042  60.16955       1.998695  60.40899       2.006500  -0.1540680     1.824218  
1 1 1 -5  20 18 o 56.90580 0.7503455 32.39516       0.8539754 32.24536       1.205843  32.54588       1.209573  -0.2639809     1.500691  
1 1 1 -5  20 19 o 15.85564 0.9307637 2.534197       0.2851762 1.740021       0.3913117 3.433742       0.4164625 -5.340451      1.861527  
1 1 1 -5  20 20 o 50.61323 0.7108836 25.61202       0.7193414 25.04649       1.000940  26.21611       1.034494  -1.154732      1.421767  
1 1 1 -5  20 21 o 116.5860 1.277664  135.9243       2.975697  140.1455       4.336119  132.1667       4.091105  3.411713       2.555328  
1 1 1 -5  20 22 o 66.43483 0.8220835 44.12733       1.091709  45.26016       1.575913  43.08207       1.513779  1.637535       1.644167  
1 1 1 -5  20 23 o 87.98284 1.008953  76.90188       1.765373  82.85635       2.674257  72.30290       2.350238  5.985733       2.017906  
1 1 1 -5  20 24 o 41.70836 0.6658602 17.01005       0.5482930 19.97499       0.8640711 15.01152       0.7094108 5.946018       1.331720  
1 1 1 -5  20 25 o 80.97906 0.9442891 65.58034       1.528371  63.77707       2.115540  67.54907       2.210470  -2.325020      1.888578  
1 1 1 -5  20 26 o 76.22527 0.9085321 57.52883       1.374950  53.18630       1.815654  63.36726       2.105281  -6.666107      1.817064  
1 1 1 -5  20 27 f 174.4057 1.857636  305.6024       6.479415  304.0471       9.116919  307.1897       9.210347  -0.8925171     3.715273  
1 1 1 -5  20 28 o 117.6843 1.292218  138.1344       3.029612  131.3757       4.073188  146.5036       4.532572  -6.396469      2.584436  
1 1 1 -5  20 29 o 88.66650 1.017743  78.68334       1.803951  76.86802       2.504755  80.63975       2.600268  -2.121635      2.035485  
1 1 1 -5  20 30 o 73.76483 0.8911566 54.18814       1.310384  50.99362       1.767499  58.08688       1.952625  -4.798584      1.782313  
1 1 1 -5  20 31 o 115.4452 1.272600  133.5670       2.936352  136.2712       4.246036  131.0882       4.065127  2.230019       2.545200  
1 1 1 -5  20 32 o 77.00360 1.301581  59.45711       2.003726  60.80665       2.884070  58.19790       2.785874  1.684937       2.603163  
1 1 1 -5  20 33 o 56.89514 0.7749387 32.36553       0.8805029 33.18157       1.286724  31.64691       1.207488  1.344303       1.549877  
1 1 1 -5  20 34 o 108.0265 1.310274  117.3030       2.803952  116.0169       4.257211  118.2883       3.726371  -1.106735      2.620548  
1 1 1 -5  20 35 o 75.74596 1.137400  57.69888       1.616255  57.13435       2.819671  57.97512       1.972460  -0.6361313     2.274800  
1 1 1 -5  20 36 o 40.78150 1.024889  16.70435       0.8339359 16.23755       1.211946  17.12413       1.149275  -1.093044      2.049778  
1 1 1 -5  20 37 o 12.43168 1.612604  1.619517       0.3804576 1.743160       0.4920886 1.435775       0.5998780 1.475046       3.225208  
1 1 1 -5  20 38 o 52.40759 0.7625780 27.51927       0.7991248 26.92632       1.132053  28.10821       1.128223  -1.127911      1.525156  
1 1 1 -5  20 39 o 12.68513 1.309291  1.592364       0.3129843 2.294132       0.4864554 1.096655       0.4088455 4.858324       2.618581  
1 1 1 -5  20 40 o 46.80553 0.7482485 21.61299       0.6938909 24.45280       1.074960  19.58448       0.9085232 5.184967       1.496497  
1 1 1 -5  20 41 o 26.65220 0.7878584 7.091665       0.4184819 7.444426       0.6238410 6.803052       0.5642771 1.196938       1.575717  
1 1 1 -5  20 42 o 33.73069 0.7489619 11.09073       0.4982997 13.65997       0.7839174 9.348761       0.6454871 6.376343       1.497924  
1 1 1 -5  20 43 o 59.44690 0.8268562 35.40513       0.9825444 33.88939       1.367339  37.02340       1.412832  -2.630486      1.653712  
1 1 1 -5  20 44 o 22.01380 0.9387280 5.008283       0.4008818 3.827000       0.5894226 6.025029       0.5468348 -4.998335      1.877456  
1 1 1 -5  20 45 o 53.51658 0.8033844 28.66905       0.8578662 29.57897       1.264774  27.89374       1.167472  1.561058       1.606769  
1 1 1 -5  20 46 o 80.12558 0.9894241 64.39310       1.583974  61.74628       2.181646  67.34377       2.303472  -3.471680      1.978848  
1 1 1 -5  20 47 o 29.65725 0.8308564 8.860338       0.4909330 8.236567       0.7081607 9.437506       0.6811926 -2.028782      1.661713  
1 1 1 -5  20 48 o 58.70481 0.9009995 34.63960       1.053841  34.85804       1.431902  34.38146       1.556609  0.4281540      1.801999  
1 1 1 -5  20 49 f 11.20712 1.864455  1.301646       0.4206156 0.8269427      0.5672130 1.881589       0.6269422 -4.384879      3.728910  
1 1 1 -5  20 50 o 31.96567 1.086132  10.29646       0.6932465 9.550665       0.9736456 11.06331       0.9872941 -2.362780      2.172265  
1 1 1 -5  20 51 o 54.31254 1.140384  29.65864       1.236471  31.23887       1.817263  28.29645       1.687237  2.674503       2.280769  
1 1 1 -5  20 52 o 47.57191 1.112119  22.74534       1.055732  24.09913       1.558324  21.59685       1.435312  2.595459       2.224238  
1 1 1 -5  20 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  21 1  o 75.30385 0.8912835 56.64692       1.340857  55.08597       1.844580  58.39592       1.952538  -2.196045      1.782567  
1 1 1 -5  21 2  o 53.03649 0.7235809 27.59004       0.7586550 24.68880       0.9856063 31.80827       1.188436  -6.709320      1.447162  
1 1 1 -5  21 3  o 202.1065 2.129040  409.3728       8.605724  410.7092       12.21114  408.0541       12.12993  0.6538391      4.258081  
1 1 1 -5  21 4  o 229.3187 2.407710  527.1294       11.03815  535.7739       15.88423  519.0565       15.35007  3.622467       4.815421  
1 1 1 -5  21 5  o 253.1067 2.653627  642.9003       13.43301  643.2987       18.99670  642.5020       18.99760  0.1574402      5.307253  
1 1 1 -5  21 6  o 152.2388 2.015788  227.8432       5.620841  221.5674       6.671507  243.1954       10.43459  -6.967300      4.031576  
1 1 1 -5  21 7  o 76.07936 1.288303  57.73266       1.956025  60.90901       2.884626  55.02904       2.661322  3.858971       2.576606  
1 1 1 -5  21 8  o 241.5703 3.600305  587.6754       17.39291  583.5141       24.39963  591.9744       24.79982  -1.723007      7.200609  
1 1 1 -5  21 9  o 41.46626 0.9821855 17.19863       0.8143719 17.71114       1.162289  16.70437       1.141387  1.213543       1.964371  
1 1 1 -5  21 10 o 306.7314 3.952814  948.2335       22.78813  953.9662       39.74234  945.4254       27.81490  0.4038086      7.905627  
1 1 1 -5  21 11 f 100.8281 1.123426  101.6970       2.264641  100.1202       3.152098  103.3794       3.255791  -1.613625      2.246853  
1 1 1 -5  21 12 o 20.53087 0.7793822 4.216094       0.3199720 4.106128       0.4495629 4.328989       0.4555133 -0.5426407     1.558764  
1 1 1 -5  21 13 o 232.0007 2.438190  540.3725       11.31281  537.7239       15.91636  543.0767       16.08240  -1.143982      4.876380  
1 1 1 -5  21 14 o 57.79142 0.7569917 33.34068       0.8737966 32.07188       1.198618  34.77977       1.276528  -2.341328      1.513983  
1 1 1 -5  21 15 o 74.63087 0.8867426 55.52502       1.320054  53.06139       1.789416  58.46650       1.955265  -3.617256      1.773485  
1 1 1 -5  21 16 o 140.2339 1.508118  196.6831       4.223787  190.9849       5.791024  203.1599       6.174030  -4.324066      3.016237  
1 1 1 -5  21 17 o 72.68324 0.8736398 52.76509       1.268324  54.74242       1.852148  51.01913       1.740422  2.558243       1.747280  
1 1 1 -5  21 18 o 108.7034 1.202039  118.0937       2.609202  114.4650       3.571527  122.2471       3.821035  -3.569565      2.404078  
1 1 1 -5  21 19 f 65.87213 0.8191422 43.40730       1.078983  44.04768       1.543742  42.79566       1.508686  0.9493637      1.638284  
1 1 1 -5  21 20 o 116.4248 1.275849  135.4167       2.964662  130.5837       4.039184  141.0611       4.365087  -4.484680      2.551697  
1 1 1 -5  21 21 o 77.34154 0.9156199 59.85356       1.415978  60.78897       2.029419  58.96619       1.976615  1.176453       1.831240  
1 1 1 -5  21 22 o 58.31864 0.7679428 33.63733       0.8891815 37.33698       1.361689  30.88701       1.174056  5.523609       1.535886  
1 1 1 -5  21 23 o 147.1600 1.581562  217.2554       4.654851  217.2604       6.582507  217.2505       6.583402  0.3417969E-02  3.163124  
1 1 1 -5  21 24 o 92.15891 1.051108  85.05558       1.937340  85.42971       2.750355  84.68713       2.729391  0.4018402      2.102215  
1 1 1 -5  21 25 f 181.8116 1.934440  332.2633       7.033269  329.4775       9.857518  335.1520       10.03803  -1.543030      3.868881  
1 1 1 -5  21 26 o 58.78679 0.7710240 34.51845       0.9051046 35.81202       1.325565  33.38858       1.238852  2.057671       1.542048  
1 1 1 -5  21 27 o 102.3383 1.148976  104.2667       2.340265  98.47543       3.128696  111.6225       3.526095  -6.398293      2.297951  
1 1 1 -5  21 28 o 107.9240 1.199636  116.7386       2.589221  115.6247       3.636509  117.8839       3.687447  -1.043114      2.399272  
1 1 1 -5  21 29 f 50.12299 0.7228479 25.12609       0.7242804 24.12024       1.008900  26.19574       1.040401  -2.068920      1.445696  
1 1 1 -5  21 30 o 75.04855 0.9056466 56.09172       1.353478  59.77533       2.031491  53.15147       1.814970  4.399269       1.811293  
1 1 1 -5  21 31 o 41.37540 0.7129894 17.08549       0.5883054 17.78049       0.8719892 16.50484       0.7970333 1.537766       1.425979  
1 1 1 -5  21 32 o 20.04456 0.9298171 3.991891       0.3624865 4.167902       0.5912409 3.885885       0.4588380 0.6937599      1.859634  
1 1 1 -5  21 33 o 67.26859 1.210972  45.38743       1.627785  45.92167       2.357614  44.90075       2.250211  0.7478104      2.421945  
1 1 1 -5  21 34 o 41.08362 1.042605  16.97112       0.8538420 16.25765       1.242978  17.60861       1.174924  -1.650684      2.085210  
1 1 1 -5  21 35 o 24.88986 0.7831724 6.247174       0.3872696 5.615069       0.5600365 6.826423       0.5361105 -2.435335      1.566345  
1 1 1 -5  21 36 o 92.80797 1.070293  86.30389       1.984829  83.61828       2.736521  89.28503       2.883159  -3.036339      2.140586  
1 1 1 -5  21 37 o 16.27235 1.042901  2.597613       0.3323727 3.475344       0.5096927 1.948219       0.4384115 4.684088       2.085802  
1 1 1 -5  21 38 o 22.51289 0.8564311 5.136871       0.3811849 4.375572       0.5503339 5.838915       0.5284833 -3.252260      1.712862  
1 1 1 -5  21 39 o 64.33011 0.8450457 41.45907       1.086216  42.23308       1.576315  40.75922       1.498891  1.136990       1.690091  
1 1 1 -5  21 40 o 35.16580 0.7504842 12.40218       0.5257269 11.00135       0.7352706 13.86744       0.7519916 -4.073410      1.500968  
1 1 1 -5  21 41 o 53.66757 0.7938942 28.84894       0.8514287 29.49398       1.234218  28.26323       1.176088  1.140064       1.587788  
1 1 1 -5  21 42 o 23.29709 0.8757173 5.470852       0.4051972 5.189785       0.6004275 5.705902       0.5490797 -1.114265      1.751435  
1 1 1 -5  21 43 o 32.41982 0.7723862 10.56758       0.4994057 9.995872       0.7204458 11.09639       0.6928923 -1.700706      1.544772  
1 1 1 -5  21 44 o 77.06405 0.9596385 59.56560       1.477871  57.18418       2.041359  62.18848       2.142348  -3.229843      1.919277  
1 1 1 -5  21 45 o 34.24129 0.7910942 11.80922       0.5392123 10.60866       0.7685381 12.97315       0.7567220 -3.454323      1.582188  
1 1 1 -5  21 46 o 6.523924 1.810338  0.2542172      0.3470493 0.1070784      0.5324304 0.3629146      0.4576236 -0.5345330     3.620676  
1 1 1 -5  21 47 f 58.16619 0.8451778 33.97050       0.9828140 33.93126       1.409743  34.00761       1.370889  -0.7217789E-01 1.690356  
1 1 1 -5  21 48 o 27.42138 0.8815470 7.448144       0.4794848 8.415464       0.7382478 6.742372       0.6305942 3.029814       1.763094  
1 1 1 -5  21 49 f 10.17827 1.988555  1.071693       0.4299707 0.7271068      0.5924136 1.455277       0.6250380 -3.048848      3.977109  
1 1 1 -5  21 50 o 30.21732 1.140924  9.241244       0.6865048 8.307084       0.9753907 10.15826       0.9664007 -3.065508      2.281847  
1 1 1 -5  21 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  22 1  o 15.81928 0.8978219 2.513204       0.2829213 2.647415       0.3901293 2.364321       0.4109007 0.8952217      1.795644  
1 1 1 -5  22 2  o 54.15611 0.7286383 29.34052       0.7891484 29.44014       1.110530  29.23890       1.121602  0.1859932      1.457277  
1 1 1 -5  22 3  o 167.7375 1.783258  280.5128       5.956824  297.1157       8.933256  267.2198       7.993333  8.871078       3.566515  
1 1 1 -5  22 4  o 50.81409 0.7076809 25.83010       0.7191363 25.86856       1.010546  25.79064       1.023604  0.7690048E-01  1.415362  
1 1 1 -5  22 5  o 55.52816 0.7357433 30.78692       0.8160560 29.73790       1.120225  31.97308       1.191197  -2.011372      1.471487  
1 1 1 -5  22 6  o 95.96358 1.078630  91.94421       2.066357  88.73578       2.820577  95.66100       3.035819  -3.602455      2.157261  
1 1 1 -5  22 7  o 142.4763 1.529597  203.3358       4.358583  204.0167       6.180897  202.6624       6.147178  0.4739227      3.059194  
1 1 1 -5  22 8  o 150.5808 1.610997  226.7536       4.844062  219.9570       6.630980  234.5314       7.093455  -4.819717      3.221994  
1 1 1 -5  22 9  f 132.3467 1.429864  175.3316       3.782998  178.6475       5.450940  172.2504       5.254405  2.409073       2.859727  
1 1 1 -5  22 10 o 156.1587 1.667751  243.5932       5.194502  254.9564       7.694563  234.0780       7.041121  6.653778       3.335502  
1 1 1 -5  22 11 o 136.9773 1.812163  188.4606       4.686676  189.0962       5.753305  187.2068       8.080264  0.8143921      3.624326  
1 1 1 -5  22 12 o 48.05276 0.9977400 22.72468       0.9496791 20.40312       1.242385  25.98791       1.472959  -5.803860      1.995480  
1 1 1 -5  22 13 o 29.25441 0.9475339 8.480203       0.5511940 7.370655       0.7416075 9.849584       0.8238795 -4.234304      1.895068  
1 1 1 -5  22 14 o 104.6744 1.650620  109.0666       3.435845  102.9834       4.574589  116.9392       5.204087  -6.631516      3.301241  
1 1 1 -5  22 15 o 89.03421 1.443200  78.80656       2.554588  74.06737       3.396198  84.98188       3.876779  -6.105675      2.886400  
1 1 1 -5  22 16 f 49.38040 0.8564007 24.84617       0.8155753 22.61214       1.309986  26.26019       1.042198  -3.701866      1.712801  
1 1 1 -5  22 17 o 73.77461 0.8848984 53.94175       1.296991  50.11675       1.717891  59.01230       1.977918  -6.019951      1.769797  
1 1 1 -5  22 18 o 111.7568 1.231202  125.0787       2.751135  126.9001       3.947300  123.3582       3.836452  1.578819       2.462404  
1 1 1 -5  22 19 o 133.6956 1.446540  179.1349       3.866514  176.3700       5.381467  182.0852       5.559009  -2.125961      2.893079  
1 1 1 -5  22 20 f 59.40597 0.7765365 35.31472       0.9225708 35.66882       1.312771  34.96918       1.296800  0.5882950      1.553073  
1 1 1 -5  22 21 o 110.9374 1.227300  123.2081       2.721165  126.1550       3.938237  120.5159       3.764271  2.531441       2.454600  
1 1 1 -5  22 22 o 50.66043 0.7271568 25.37221       0.7318781 22.99589       0.9695060 28.52055       1.115936  -5.447330      1.454314  
1 1 1 -5  22 23 o 99.78845 1.122472  99.44888       2.234814  104.1315       3.301707  95.48956       3.035995  4.314491       2.244943  
1 1 1 -5  22 24 o 74.97700 0.9027229 55.71562       1.344306  51.71233       1.778348  61.05333       2.053462  -6.215759      1.805446  
1 1 1 -5  22 25 o 47.92569 0.7157166 22.97495       0.6857887 22.52686       0.9546648 23.45272       0.9857870 -0.9646835     1.431433  
1 1 1 -5  22 26 o 81.62199 0.9589676 65.17728       1.538423  74.99888       2.468466  58.93960       1.967197  9.808273       1.917935  
1 1 1 -5  22 27 o 64.67143 0.8206282 41.65916       1.057333  44.29121       1.581663  39.53260       1.421688  3.670143       1.641256  
1 1 1 -5  22 28 o 71.79539 0.8829779 50.85014       1.255575  46.35054       1.641999  57.18534       1.948345  -7.526604      1.765956  
1 1 1 -5  22 29 f 41.13460 0.7718430 17.11095       0.6240130 15.93234       0.9576433 17.98068       0.8226379 -2.497269      1.543686  
1 1 1 -5  22 30 o 85.99882 1.427509  74.23785       2.452644  75.57954       3.564747  73.03178       3.379766  1.460083       2.855018  
1 1 1 -5  22 31 o 29.27452 1.038747  8.123224       0.5887913 10.58297       0.9977967 6.809152       0.7293010 6.421722       2.077494  
1 1 1 -5  22 32 o 89.10393 1.034049  79.61716       1.842742  79.31686       2.607426  79.91682       2.604639  -0.3369370     2.068099  
1 1 1 -5  22 33 f 59.46597 0.8058779 34.90230       0.9505348 31.40358       1.250201  39.69565       1.463339  -6.954609      1.611756  
1 1 1 -5  22 34 o 48.74915 0.7426437 23.80261       0.7235920 23.83785       1.042682  23.76987       1.004986  0.6677628E-01  1.485287  
1 1 1 -5  22 35 o 60.80679 0.8140990 37.01079       0.9888858 37.85785       1.440054  36.25491       1.360339  1.310810       1.628198  
1 1 1 -5  22 36 o 64.53117 0.8411137 41.73646       1.085180  41.95625       1.557235  41.52896       1.513071  0.3266373      1.682227  
1 1 1 -5  22 37 f 36.67952 0.7274203 13.25464       0.5286310 15.19224       0.8187833 11.86966       0.6922420 4.517384       1.454841  
1 1 1 -5  22 38 o 9.230444 1.675599  0.8977309      0.3094237 0.8456898      0.4735443 0.9365054      0.4087527 -0.4332170     3.351197  
1 1 1 -5  22 39 o 38.19778 0.7531051 14.64019       0.5744031 13.69683       0.8131330 15.57983       0.8115267 -2.464970      1.506210  
1 1 1 -5  22 40 o 47.97820 0.7653208 22.98730       0.7323324 24.20828       1.085871  21.96860       0.9918523 2.323551       1.530642  
1 1 1 -5  22 41 o 35.89335 0.7681560 12.87130       0.5499463 13.50393       0.8146438 12.34159       0.7454389 1.611034       1.536312  
1 1 1 -5  22 42 o 6.940770 1.780773  0.3687594      0.3176060 0.5773675      0.5025485 0.2300276      0.4098270 1.793285       3.561547  
1 1 1 -5  22 43 o 93.97202 1.102420  88.84337       2.071905  88.32423       2.930423  89.36228       2.929810  -0.5524292     2.204841  
1 1 1 -5  22 44 o 35.47288 0.7893905 12.38531       0.5541800 14.35041       0.8631210 11.00699       0.7228593 4.692654       1.578781  
1 1 1 -5  22 45 f 27.96656 0.8627052 7.759079       0.4784316 8.564211       0.7373275 7.173571       0.6287730 2.467970       1.725410  
1 1 1 -5  22 46 o 28.91552 0.8487000 8.348619       0.4884315 8.854335       0.7352519 7.949169       0.6534536 1.551115       1.697400  
1 1 1 -5  22 47 o 5.853195 1.767558  -0.1849029E-01 0.3624417 0.1125884      0.5595523 -0.1132384     0.4757293 1.092995       3.535117  
1 1 1 -5  22 48 o 43.86481 0.9856089 19.48013       0.8564849 20.38899       1.151879  18.35631       1.280869  2.345356       1.971218  
1 1 1 -5  22 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  22 50 o 44.74051 1.594396  20.19482       1.426682  20.19482       1.426682  ?              ?         ?              ?         
1 1 1 -5  22 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  23 1  o 151.1592 1.618243  228.8362       4.888339  223.9731       6.753438  234.1882       7.084766  -3.361130      3.236487  
1 1 1 -5  23 2  o 115.0802 1.261350  131.7424       2.887929  141.0338       4.361494  124.4884       3.853767  7.167427       2.522699  
1 1 1 -5  23 3  o 106.0426 1.174575  112.5785       2.490759  111.6178       3.488307  113.5778       3.557647  -0.9214249     2.349150  
1 1 1 -5  23 4  f 116.0639 1.272326  134.2213       2.941504  142.3347       4.404808  127.6909       3.951796  6.289345       2.544652  
1 1 1 -5  23 5  o 78.55013 0.9242656 61.71701       1.451273  60.75848       2.014371  62.75152       2.092688  -1.266235      1.848531  
1 1 1 -5  23 6  o 102.7089 1.142537  105.4567       2.344293  108.9427       3.415837  102.3528       3.223204  3.200699       2.285074  
1 1 1 -5  23 7  o 79.89467 0.9323192 63.83748       1.489047  65.38279       2.146445  62.40384       2.067438  1.861809       1.864638  
1 1 1 -5  23 8  f 97.55270 1.094975  95.11283       2.133706  98.41425       3.113004  92.18752       2.930308  3.184639       2.189949  
1 1 1 -5  23 9  o 119.9015 1.308775  143.1801       3.124238  152.3531       4.695425  135.8926       4.185150  6.841057       2.617549  
1 1 1 -5  23 10 o 85.23083 0.9820814 72.64132       1.672787  70.97789       2.311635  74.46994       2.423696  -2.044662      1.964163  
1 1 1 -5  23 11 o 48.19899 0.6955961 23.05453       0.6677368 25.49626       1.000654  21.09445       0.8965449 4.563595       1.391192  
1 1 1 -5  23 12 o 40.55449 0.6717191 16.45393       0.5448040 16.65005       0.7736366 16.26099       0.7673404 0.4795151      1.343438  
1 1 1 -5  23 13 o 106.0297 1.176518  112.6022       2.494814  112.0569       3.509222  113.1596       3.547490  -0.5181046     2.353037  
1 1 1 -5  23 14 o 69.11484 0.8459391 47.55674       1.165179  44.95102       1.569169  50.75924       1.739605  -4.195534      1.691878  
1 1 1 -5  23 15 o 97.03119 1.092192  94.28343       2.119375  95.04389       3.019710  93.54518       2.975282  0.7701035      2.184384  
1 1 1 -5  23 16 f 51.70695 0.7266972 26.73698       0.7512605 27.50930       1.078832  26.00988       1.046778  1.448864       1.453394  
1 1 1 -5  23 17 o 116.2113 1.565745  135.9841       3.446553  137.0477       4.250028  133.9413       5.890357  1.455452       3.131491  
1 1 1 -5  23 18 o 41.59780 0.8469148 16.56194       0.6494090 15.47562       0.7686720 19.27080       1.213825  -4.543427      1.693830  
1 1 1 -5  23 19 o 99.13979 1.585111  98.64433       3.142944  98.77176       4.441735  98.51653       4.447860  0.1292267      3.170223  
1 1 1 -5  23 20 o 135.1717 2.078180  183.8936       5.618007  183.2063       7.904861  184.5951       7.985881  -0.5047913     4.156360  
1 1 1 -5  23 21 o 111.2710 1.747096  124.2833       3.885531  127.3853       5.618472  121.4397       5.379272  2.648888       3.494192  
1 1 1 -5  23 22 o 78.60558 1.322093  61.96136       2.078448  62.30341       2.938154  61.61876       2.940587  0.4356689      2.644186  
1 1 1 -5  23 23 f 51.55930 0.8874255 27.12877       0.8854978 24.41530       1.404812  28.91763       1.140627  -4.380058      1.774851  
1 1 1 -5  23 24 o 67.72813 1.032780  45.73319       1.315058  46.63506       2.301674  45.29610       1.602347  0.9411469      2.065560  
1 1 1 -5  23 25 o 111.3703 1.237088  124.0667       2.749547  129.4359       4.052238  119.4856       3.743036  4.440308       2.474176  
1 1 1 -5  23 26 o 91.12984 1.285516  83.91945       2.223437  81.38869       3.768861  85.27048       2.753686  -2.220123      2.571031  
1 1 1 -5  23 27 o 67.00574 1.202044  44.85218       1.607413  42.13029       2.188356  48.04147       2.368802  -4.394440      2.404088  
1 1 1 -5  23 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  23 29 o 85.31616 1.419662  72.68951       2.408878  77.33542       3.643133  69.08043       3.210979  4.784554       2.839324  
1 1 1 -5  23 30 o 60.38770 0.8048704 36.47076       0.9712505 35.07209       1.340312  38.01734       1.409402  -2.433353      1.609741  
1 1 1 -5  23 31 o 87.57564 1.022708  76.53805       1.784140  81.14111       2.670783  72.82854       2.397578  4.717186       2.045417  
1 1 1 -5  23 32 o 7.267405 1.591085  0.3657868      0.2835715 0.9722545      0.4614880 -0.2109505E-02 0.3594341 4.724844       3.182171  
1 1 1 -5  23 33 o 69.51117 0.8743088 48.40390       1.215086  47.15308       1.692616  49.73391       1.745379  -1.851250      1.748618  
1 1 1 -5  23 34 o 25.44118 0.7824148 6.515159       0.3953707 6.201550       0.5863990 6.776548       0.5353577 -1.134802      1.564830  
1 1 1 -5  23 35 o 83.63985 0.9948239 70.20748       1.664071  70.00003       2.361914  70.41196       2.344882  -0.2484055     1.989648  
1 1 1 -5  23 36 f 44.03988 0.7457237 19.34308       0.6548339 17.40579       0.8946826 21.57832       0.9610221 -4.730576      1.491447  
1 1 1 -5  23 37 o 75.40421 0.9306874 57.03456       1.402983  57.55324       2.016889  56.54829       1.952894  0.6581802      1.861375  
1 1 1 -5  23 38 o 53.81402 0.7912620 29.00275       0.8509656 27.46686       1.183851  30.64471       1.224050  -2.947994      1.582524  
1 1 1 -5  23 39 f 11.41726 1.549711  1.398126       0.3386670 1.013300       0.5083125 1.705307       0.4541465 -3.199589      3.099422  
1 1 1 -5  23 40 o 33.55473 0.7719350 11.28365       0.5168363 11.38944       0.7588086 11.19209       0.7058910 0.2873192      1.543870  
1 1 1 -5  23 41 o 63.50697 0.8579315 40.08852       1.081956  43.67817       1.653775  37.40232       1.430606  4.907375       1.715863  
1 1 1 -5  23 42 o 44.20351 0.7767098 19.60113       0.6860404 19.53838       0.9907384 19.65894       0.9509025 -0.1418610     1.553420  
1 1 1 -5  23 43 f 35.42663 0.7869315 12.55125       0.5555094 13.04261       0.8279435 12.14895       0.7491680 1.249626       1.573863  
1 1 1 -5  23 44 o 28.99319 0.8481990 8.442610       0.4890327 8.416662       0.7310696 8.463623       0.6578968 -0.9333611E-01 1.696398  
1 1 1 -5  23 45 o 23.70853 0.9370387 5.517454       0.4389764 6.642666       0.6866395 4.739657       0.5708793 3.989918       1.874077  
1 1 1 -5  23 46 o 53.82655 0.8334023 28.96964       0.8933632 30.43581       1.338389  27.79148       1.199761  2.430866       1.666805  
1 1 1 -5  23 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  23 48 o 16.44419 1.591959  2.747169       0.5227421 2.849141       0.7656724 2.658142       0.7154212 0.5606594      3.183918  
1 1 1 -5  23 49 o 23.51746 1.335630  5.578611       0.6233545 5.757531       0.9483379 5.442498       0.8271491 0.6303177      2.671260  
1 1 1 -5  24 1  o 14.28375 0.9360765 2.020514       0.2652167 1.691306       0.3568659 2.426672       0.3963853 -2.572530      1.872153  
1 1 1 -5  24 2  o 62.21452 0.7892102 38.73693       0.9819823 39.01055       1.387758  38.46255       1.389709  0.4404793      1.578420  
1 1 1 -5  24 3  o 59.17949 0.7661032 34.44732       0.8975883 39.36300       1.395950  30.98244       1.171984  7.073162       1.532206  
1 1 1 -5  24 4  o 9.755705 1.310889  0.9648253      0.2474638 0.6167861      0.3332233 1.392809       0.3695175 -4.074194      2.621777  
1 1 1 -5  24 5  o 210.7602 2.228086  446.3874       9.381743  435.7253       12.91525  458.2987       13.65087  -5.283188      4.456171  
1 1 1 -5  24 6  o 74.34814 0.8881319 55.33097       1.320612  55.58274       1.869083  55.07996       1.866174  0.3380127      1.776264  
1 1 1 -5  24 7  o 55.42423 0.7413900 30.54952       0.8185696 28.69890       1.099497  32.85080       1.226086  -3.741371      1.482780  
1 1 1 -5  24 8  o 24.13108 0.6957029 5.830525       0.3355379 5.989663       0.4705779 5.665936       0.4785674 0.6710167      1.391406  
1 1 1 -5  24 9  o 97.44157 1.096254  95.05344       2.135768  96.71503       3.066718  93.48851       2.976180  1.651123       2.192509  
1 1 1 -5  24 10 o 36.35689 0.6672529 12.98732       0.4807893 11.24668       0.6327369 15.36537       0.7395725 -5.660976      1.334506  
1 1 1 -5  24 11 o 107.7580 1.194592  116.3167       2.574205  117.5043       3.676393  115.1743       3.605591  1.077202       2.389185  
1 1 1 -5  24 12 o 34.52291 0.6638485 11.87883       0.4572177 13.11355       0.6685033 10.79362       0.6267239 3.358669       1.327697  
1 1 1 -5  24 13 o 107.3132 1.192023  115.2640       2.556201  112.5683       3.528099  118.2426       3.708685  -2.633255      2.384046  
1 1 1 -5  24 14 o 44.94402 0.6947362 19.93748       0.6200528 17.83248       0.8202689 22.74391       0.9471214 -5.459484      1.389472  
1 1 1 -5  24 15 o 50.87616 0.7237172 25.64294       0.7322424 23.49053       0.9744213 28.43518       1.109838  -4.854385      1.447434  
1 1 1 -5  24 16 o 77.07038 0.9167022 59.46259       1.412846  60.19793       2.017087  58.75434       1.979572  0.9346924      1.833404  
1 1 1 -5  24 17 o 37.88551 0.6823152 14.13896       0.5129271 16.59750       0.7829863 12.29074       0.6788790 5.680050       1.364630  
1 1 1 -5  24 18 f 63.58741 0.8111876 40.46351       1.031448  41.12362       1.475585  39.83281       1.442357  1.013481       1.622375  
1 1 1 -5  24 19 o 34.54513 0.6819510 11.87149       0.4697520 10.90087       0.6365271 13.03237       0.6961257 -3.082710      1.363902  
1 1 1 -5  24 20 f 101.3499 1.139786  102.8078       2.307770  105.9430       3.360777  100.0104       3.174540  2.913467       2.279573  
1 1 1 -5  24 21 o 78.77681 0.9378726 61.94738       1.474142  59.19460       2.002435  65.20442       2.178133  -3.803230      1.875745  
1 1 1 -5  24 22 f 58.12931 0.7796174 33.82686       0.9062895 33.54214       1.271323  34.12106       1.292308  -0.4968109     1.559235  
1 1 1 -5  24 23 o 104.7609 1.441781  110.6584       2.863761  108.7546       4.881233  111.6576       3.536325  -1.519928      2.883561  
1 1 1 -5  24 24 o 47.84106 1.066864  22.75615       1.016350  25.05515       1.526203  20.92422       1.362379  4.304188       2.133729  
1 1 1 -5  24 25 o 54.78145 1.272994  30.06606       1.394729  30.06606       1.394729  ?              ?         ?              ?         
1 1 1 -5  24 26 o 36.54150 0.9969602 13.33592       0.7272164 12.34928       0.9960988 14.46197       1.064149  -2.885040      1.993920  
1 1 1 -5  24 27 o 98.22077 1.948923  96.26289       3.563259  94.31546       4.293318  100.5738       6.387705  -2.819977      3.897845  
1 1 1 -5  24 28 o 46.69426 1.013706  21.85988       0.9465376 21.48969       1.324503  22.24626       1.353170  -0.8072586     2.027413  
1 1 1 -5  24 29 o 41.06983 1.001755  16.89533       0.8222721 17.53346       1.189917  16.31209       1.137584  1.481476       2.003510  
1 1 1 -5  24 30 f 97.39594 1.573221  95.56258       3.064199  95.00565       4.298198  96.13817       4.369545  -0.5693741     3.146441  
1 1 1 -5  24 31 o 14.65098 1.465349  2.154635       0.4278645 2.237924       0.6369054 2.086132       0.5776138 0.5081406      2.930698  
1 1 1 -5  24 32 o 41.69273 0.9914864 17.41790       0.8261911 16.64790       1.145448  18.25289       1.192813  -1.919113      1.982973  
1 1 1 -5  24 33 o 86.22970 1.249849  73.59692       1.997467  77.91548       3.622282  71.70990       2.394426  3.403748       2.499698  
1 1 1 -5  24 34 o 70.67115 1.082853  50.09785       1.443929  50.37725       2.499969  49.95799       1.768795  0.1914215      2.165705  
1 1 1 -5  24 35 o 32.37525 0.7658927 10.59512       0.4897401 8.690857       0.6933454 12.49119       0.6918512 -5.869354      1.531785  
1 1 1 -5  24 36 o 31.57205 0.7523187 9.959308       0.4726387 10.29495       0.7097602 9.691886       0.6335392 0.9467316      1.504637  
1 1 1 -5  24 37 o 30.25278 0.7678134 8.895499       0.4570385 10.87327       0.7300589 7.620824       0.5860977 5.359049       1.535627  
1 1 1 -5  24 38 o 51.69889 0.7813442 26.58653       0.8031571 28.74730       1.218449  24.92633       1.068028  3.676331       1.562688  
1 1 1 -5  24 39 f 41.13700 0.7582900 16.98460       0.6233457 16.48721       0.8911337 17.46114       0.8722572 -1.186272      1.516580  
1 1 1 -5  24 40 o 43.08264 0.7669811 18.43464       0.6559317 20.05624       1.004475  17.22907       0.8660877 3.262341       1.533962  
1 1 1 -5  24 41 o 51.31608 0.8038703 26.43645       0.8244225 25.31586       1.167464  27.55111       1.164361  -2.178379      1.607741  
1 1 1 -5  24 42 o 14.18231 1.327412  1.987834       0.3705041 2.569892       0.5674453 1.555284       0.4891689 3.556674       2.654824  
1 1 1 -5  24 43 o 35.14687 0.8010576 12.39659       0.5611680 12.42812       0.8290316 12.36992       0.7623749 0.7184982E-01  1.602115  
1 1 1 -5  24 44 o 47.30336 1.053989  23.15888       0.9113687 20.94522       1.625591  24.17361       1.100606  -3.531883      2.107978  
1 1 1 -5  24 45 o 41.78359 1.209542  17.59042       1.004374  17.88477       1.513179  17.35861       1.342830  0.5834961      2.419084  
1 1 1 -5  24 46 o 34.63343 1.092807  12.09110       0.7558350 11.23317       1.058987  12.98196       1.079121  -2.519444      2.185613  
1 1 1 -5  24 47 o 9.285238 2.194912  0.8008560      0.4858079 1.155416       0.7335208 0.5238116      0.6483989 2.454856       4.389824  
1 1 1 -5  24 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  25 1  o 36.68840 0.6511834 13.45926       0.4776072 13.16719       0.6635076 13.77333       0.6880372 -0.8252525     1.302367  
1 1 1 -5  25 2  o 80.13293 0.9399689 64.06264       1.502337  61.35003       2.035720  67.30692       2.226298  -3.707825      1.879938  
1 1 1 -5  25 3  o 111.1346 1.226268  123.7370       2.725033  125.5147       3.903215  122.0466       3.806175  1.554298       2.452537  
1 1 1 -5  25 4  o 106.6243 1.182942  113.1351       2.508806  106.9292       3.344161  121.1242       3.794291  -6.629517      2.365884  
1 1 1 -5  25 5  o 25.88053 0.6839162 6.722737       0.3529284 7.164873       0.4923943 6.255604       0.5061209 1.757143       1.367832  
1 1 1 -5  25 6  f 62.77977 0.7963179 39.35547       0.9981743 37.91430       1.364401  41.01504       1.464133  -2.465446      1.592636  
1 1 1 -5  25 7  o 108.3505 1.201193  117.1554       2.594344  111.9800       3.501278  123.4564       3.863291  -5.273308      2.402386  
1 1 1 -5  25 8  o 43.52429 0.6812660 18.87774       0.5917884 20.33575       0.8707408 17.62615       0.8067482 3.110443       1.362532  
1 1 1 -5  25 9  o 60.30321 0.7800846 35.88111       0.9323294 32.74519       1.222278  40.24442       1.441766  -6.208797      1.560169  
1 1 1 -5  25 10 o 47.35766 0.7000840 22.40810       0.6625456 23.42645       0.9603108 21.48303       0.9152729 2.050156       1.400168  
1 1 1 -5  25 11 o 40.08447 0.6698098 15.99190       0.5354991 17.59321       0.7902710 14.63242       0.7281568 3.690918       1.339620  
1 1 1 -5  25 12 o 92.63567 1.056877  85.63779       1.952483  81.91765       2.643057  90.10655       2.896813  -4.405167      2.113753  
1 1 1 -5  25 13 o 74.61223 0.8986927 55.40709       1.335760  59.42927       2.000654  52.17199       1.794255  4.852882       1.797385  
1 1 1 -5  25 14 o 88.19748 1.017407  77.58723       1.788952  73.98486       2.416141  81.95853       2.661547  -4.505821      2.034815  
1 1 1 -5  25 15 o 114.6369 1.264728  131.7709       2.899550  132.5783       4.125167  130.9825       4.076433  0.6922989      2.529455  
1 1 1 -5  25 16 o 96.67760 1.096093  93.65343       2.119074  94.76272       3.026940  92.58723       2.967589  1.120903       2.192187  
1 1 1 -5  25 17 f 36.81875 0.6879773 13.53963       0.5060446 12.76689       0.6981782 14.39490       0.7345139 -2.209126      1.375955  
1 1 1 -5  25 18 o 18.05606 0.8943886 3.269088       0.3222840 3.529672       0.4570438 3.011370       0.4545234 1.435101       1.788777  
1 1 1 -5  25 19 o 63.61277 0.8867705 40.61180       1.118558  39.87257       1.688054  41.19046       1.493510  -1.047920      1.773541  
1 1 1 -5  25 20 o 48.55147 1.038010  23.49968       1.005040  25.33416       1.491762  21.97487       1.360036  3.449577       2.076019  
1 1 1 -5  25 21 o 105.3381 1.674638  111.4828       3.523589  114.8135       5.140349  108.5306       4.839466  2.942848       3.349275  
1 1 1 -5  25 22 o 111.6343 1.519912  125.7707       3.219675  126.8270       3.978979  123.7674       5.479616  1.555824       3.039824  
1 1 1 -5  25 23 o 66.77592 0.8620588 44.33461       1.146183  41.21626       1.534999  48.26435       1.723165  -5.263481      1.724118  
1 1 1 -5  25 24 o 74.29091 1.306611  55.32628       1.938188  57.22344       2.840250  53.67289       2.651498  2.367188       2.613221  
1 1 1 -5  25 25 o 71.73445 0.8933886 51.53491       1.281100  50.43493       1.777969  52.72263       1.847531  -1.588455      1.786777  
1 1 1 -5  25 26 o 64.58154 0.8412475 41.79383       1.086558  41.70996       1.531043  41.87893       1.542270  -0.1298447     1.682495  
1 1 1 -5  25 27 o 69.76346 0.8737767 48.74831       1.218737  47.48465       1.697096  50.09395       1.751290  -1.865089      1.747553  
1 1 1 -5  25 28 o 33.82590 0.7188962 11.46638       0.4857466 11.33261       0.7023513 11.58903       0.6725183 -0.3813934     1.437792  
1 1 1 -5  25 29 o 125.0515 1.377952  157.1787       3.442845  161.2965       5.004763  153.4796       4.743567  3.083275       2.755905  
1 1 1 -5  25 30 f 19.56141 0.9067771 3.771736       0.3514290 4.559490       0.5359722 3.177653       0.4654476 3.524141       1.813554  
1 1 1 -5  25 31 o 65.49072 0.8470089 42.92580       1.107791  44.38927       1.620396  41.64156       1.517926  2.086418       1.694018  
1 1 1 -5  25 32 o 62.51373 0.8284112 39.13274       1.034559  40.17281       1.506538  38.20457       1.423193  1.564892       1.656822  
1 1 1 -5  25 33 o 27.70529 0.7763128 7.693912       0.4283016 7.695052       0.6359349 7.692965       0.5794217 -0.2321243E-02 1.552626  
1 1 1 -5  25 34 o 47.75792 0.7525530 22.40849       0.7108120 26.03693       1.110840  19.89269       0.9249714 6.412285       1.505106  
1 1 1 -5  25 35 o 36.10001 0.7438264 13.09936       0.5351958 12.51248       0.7789684 13.62410       0.7365721 -1.544319      1.487653  
1 1 1 -5  25 36 o 21.78802 0.9004554 4.715300       0.3884502 5.103528       0.6017672 4.437967       0.5086111 1.513714       1.800911  
1 1 1 -5  25 37 o 13.72423 1.456456  2.023175       0.3656380 1.212106       0.5202610 2.814767       0.5139764 -6.008551      2.912911  
1 1 1 -5  25 38 o 64.55064 1.051386  41.83513       1.291264  41.69478       1.595699  42.10139       2.197852  -0.2045670     2.102772  
1 1 1 -5  25 39 o 24.37417 1.054362  5.726703       0.5026472 4.790016       0.6355519 7.291154       0.8213625 -5.094997      2.108723  
1 1 1 -5  25 40 o 56.47446 1.047870  31.77162       1.154717  30.70773       1.467932  33.49850       1.870206  -2.388721      2.095740  
1 1 1 -5  25 41 o 12.62195 1.949248  1.724641       0.4861361 1.223537       0.7357507 2.112919       0.6476465 -3.621678      3.898496  
1 1 1 -5  25 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  25 43 o 6.966775 2.952832  0.4854207E-01  0.7138547 0.4854207E-01  0.7138547 ?              ?         ?              ?         
1 1 1 -5  25 44 o 27.23987 1.181602  7.553505       0.6371692 6.428229       0.9117447 8.627690       0.8908067 -4.042923      2.363203  
1 1 1 -5  25 45 o 23.85566 1.264820  5.650504       0.5978817 6.654372       0.9222100 4.922637       0.7852677 3.585894       2.529639  
1 1 1 -5  25 46 o 37.02699 1.383000  14.02305       0.9498258 13.52926       1.679099  14.25540       1.151824  -1.154629      2.766000  
1 1 1 -5  26 1  o 13.53427 1.120567  1.952337       0.2719919 2.776408       0.3840328 1.122907       0.3852796 6.238148       2.241134  
1 1 1 -5  26 2  o 45.25354 0.6905231 20.49650       0.6247970 20.55858       0.8740280 20.43162       0.8934864 0.1410637      1.381046  
1 1 1 -5  26 3  o 64.24899 0.8135874 41.32533       1.045423  41.42445       1.474912  41.22525       1.482017  0.1553650      1.627175  
1 1 1 -5  26 4  o 60.42651 0.7832185 36.52203       0.9459855 35.75004       1.310846  37.36102       1.366542  -1.330429      1.566437  
1 1 1 -5  26 5  o 80.03467 0.9426423 63.77501       1.502847  68.26472       2.251352  60.16642       2.018377  5.046135       1.885285  
1 1 1 -5  26 6  o 21.66120 0.7552478 4.684977       0.3266929 4.348872       0.4504941 5.057802       0.4744644 -1.635311      1.510496  
1 1 1 -5  26 7  o 60.46499 0.7831125 36.49682       0.9455615 38.49231       1.384830  34.75393       1.294217  3.086994       1.566225  
1 1 1 -5  26 8  o 64.45750 0.8158998 41.34115       1.047657  38.85376       1.407211  44.43421       1.569213  -4.320435      1.631800  
1 1 1 -5  26 9  o 46.70512 0.7029631 21.82319       0.6564331 21.43851       0.9144478 22.23217       0.9428781 -0.8483467     1.405926  
1 1 1 -5  26 10 o 68.95750 0.8532583 47.41862       1.173435  45.11603       1.588275  50.18605       1.741226  -3.667404      1.706517  
1 1 1 -5  26 11 f 26.15266 0.7049516 6.860202       0.3677421 7.411678       0.5187859 6.303249       0.5213553 2.119274       1.409903  
1 1 1 -5  26 12 o 39.39005 0.6893628 15.51764       0.5427814 16.25436       0.7791288 14.82293       0.7565852 1.815907       1.378726  
1 1 1 -5  26 13 o 97.95991 1.109887  96.00765       2.171324  99.55069       3.176194  92.89908       2.975094  3.379410       2.219774  
1 1 1 -5  26 14 o 40.36750 0.6915450 16.10896       0.5548154 14.39288       0.7373434 18.34867       0.8423558 -4.894630      1.383090  
1 1 1 -5  26 15 o 84.12164 0.9868367 70.68182       1.656579  74.12472       2.444019  67.75576       2.253119  3.772041       1.973673  
1 1 1 -5  26 16 o 21.52595 1.160736  4.644812       0.4962780 5.406907       0.7171255 3.944387       0.6874977 3.394526       2.321473  
1 1 1 -5  26 17 o 36.02698 0.9888148 12.56608       0.7002360 15.85526       1.117943  10.44250       0.8982761 7.494740       1.977630  
1 1 1 -5  26 18 o 22.96862 1.027575  5.302919       0.4647813 5.372972       0.6086138 5.204903       0.7199165 0.3752880      2.055149  
1 1 1 -5  26 19 f 14.30770 1.535508  2.377006       0.3742795 1.402489       0.6273897 2.915458       0.4663548 -5.495534      3.071015  
1 1 1 -5  26 20 o 11.96661 1.929325  1.485136       0.4530766 1.835207       0.6701974 1.190483       0.6148664 2.596453       3.858650  
1 1 1 -5  26 21 o 51.52605 0.7566966 26.23726       0.7739064 23.78806       1.020768  29.54829       1.186851  -5.577709      1.513393  
1 1 1 -5  26 22 o 22.49752 0.8418514 5.070213       0.3783420 5.100155       0.5493287 5.043193       0.5218417 0.1242580      1.683703  
1 1 1 -5  26 23 o 68.39101 0.8678749 46.87695       1.187092  46.69606       1.676363  47.05889       1.681250  -0.2648163     1.735750  
1 1 1 -5  26 24 f 28.22435 0.7580197 7.978294       0.4278465 8.091998       0.6105123 7.868559       0.5997635 0.3949604      1.516039  
1 1 1 -5  26 25 o 51.80057 0.7624407 26.84416       0.7892008 26.01488       1.088494  27.76324       1.145916  -1.682735      1.524881  
1 1 1 -5  26 26 o 56.99341 0.7929786 32.40533       0.9015587 30.58638       1.222450  34.57450       1.334960  -3.488358      1.585957  
1 1 1 -5  26 27 f 73.18612 0.9027893 53.61170       1.319968  51.60489       1.815159  55.86391       1.922933  -2.897812      1.805579  
1 1 1 -5  26 28 f 42.42233 0.7238035 17.87620       0.6112130 19.68507       0.9204439 16.44945       0.8174621 3.803967       1.447607  
1 1 1 -5  26 29 o 64.28561 0.8382748 41.22725       1.073964  43.85885       1.602947  39.08373       1.446675  3.696377       1.676550  
1 1 1 -5  26 30 f 25.91392 0.7967803 6.766164       0.4096541 5.777946       0.5787987 7.758078       0.5798796 -3.820477      1.593561  
1 1 1 -5  26 31 o 42.05408 0.7339351 17.72838       0.6165625 16.62495       0.8669296 18.85775       0.8770607 -2.653629      1.467870  
1 1 1 -5  26 32 o 39.66091 0.7304399 15.75681       0.5788209 15.93240       0.8395146 15.59770       0.7991305 0.4176331      1.460880  
1 1 1 -5  26 33 o 46.15041 0.7475407 21.21341       0.6865014 22.65940       1.035419  20.07915       0.9170431 2.782043       1.495081  
1 1 1 -5  26 34 o 9.200699 1.659258  0.9217652      0.3109872 0.6328741      0.4874627 1.120049       0.4038478 -2.320847      3.318516  
1 1 1 -5  26 35 o 14.84179 1.270538  2.151835       0.3407548 3.566744       0.5422092 1.228217       0.4380755 7.991294       2.541076  
1 1 1 -5  26 36 o 12.39999 1.405966  1.579590       0.3313535 1.561069       0.5290003 1.591549       0.4250736 -0.3417521     2.811931  
1 1 1 -5  26 37 o 42.60814 0.7617555 18.16517       0.6465641 18.68061       0.9637417 17.74329       0.8719001 1.087166       1.523511  
1 1 1 -5  26 38 o 12.84656 1.372375  1.647853       0.3463529 1.769641       0.5515392 1.568555       0.4450501 0.7541351      2.744751  
1 1 1 -5  26 39 o 49.52355 1.028757  25.29391       0.9389463 23.02760       1.654180  26.37119       1.140480  -3.478676      2.057513  
1 1 1 -5  26 40 o 34.99329 1.194843  12.38290       0.8305563 12.09821       1.241164  12.61376       1.117684  -0.7692261     2.389686  
1 1 1 -5  26 41 o 58.45490 0.8509045 34.32593       0.9943347 32.98190       1.400377  35.69255       1.412099  -2.316387      1.701809  
1 1 1 -5  26 42 o 30.60543 0.8581218 9.489274       0.5208587 8.527805       0.7604838 10.33880       0.7148438 -2.967577      1.716244  
1 1 1 -5  26 43 o 64.70994 0.9769945 42.07913       1.242839  42.56710       1.950552  41.74562       1.612566  0.5528412      1.953989  
1 1 1 -5  26 44 o 40.99290 1.103937  16.94564       0.9049783 16.61787       1.276117  17.27726       1.283581  -0.8022499     2.207875  
1 1 1 -5  26 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  27 1  o 74.53624 1.244879  55.72232       1.855656  56.27716       2.642489  55.18250       2.606468  0.7311554      2.489759  
1 1 1 -5  27 2  o 18.27134 1.038066  3.353827       0.3783106 3.197776       0.5471865 3.496723       0.5236157 -0.8197994     2.076133  
1 1 1 -5  27 3  o 59.19685 0.7837036 35.06323       0.9275486 36.00966       1.332541  34.17364       1.291906  1.548527       1.567407  
1 1 1 -5  27 4  f 50.43106 0.7298490 25.45190       0.7359998 26.14350       1.050699  24.78562       1.031294  1.345268       1.459698  
1 1 1 -5  27 5  o 85.23801 0.9942620 72.73560       1.693742  71.21670       2.342246  74.40041       2.452158  -1.859764      1.988524  
1 1 1 -5  27 6  f 60.78080 0.7951033 36.96208       0.9661541 38.05821       1.390206  35.93808       1.343678  1.741421       1.590207  
1 1 1 -5  27 7  o 88.44731 1.022758  78.35575       1.808331  77.11021       2.511295  79.69706       2.606071  -1.455284      2.045517  
1 1 1 -5  27 8  o 25.48228 0.7284033 6.468036       0.3702117 6.058281       0.5014889 6.958793       0.5488241 -1.764362      1.456807  
1 1 1 -5  27 9  o 53.90115 0.7529649 28.71438       0.8060746 32.44888       1.231223  25.91291       1.066386  6.053410       1.505930  
1 1 1 -5  27 10 o 15.99575 0.9723675 2.572834       0.3096069 2.672635       0.4229958 2.457669       0.4543884 0.6743469      1.944735  
1 1 1 -5  27 11 o 16.33968 1.009207  2.657970       0.3274854 2.822814       0.4990270 2.533278       0.4340168 0.8806782      2.018415  
1 1 1 -5  27 12 o 49.55053 1.012291  24.61116       1.003187  24.68444       1.421093  24.53837       1.416360  0.1469955      2.024582  
1 1 1 -5  27 13 o 86.99055 1.427444  75.42679       2.469241  70.63747       3.285308  81.64495       3.743440  -6.271713      2.854888  
1 1 1 -5  27 14 o 130.8790 2.023379  172.9996       5.296246  173.5904       7.518859  172.4178       7.461515  0.4379730      4.046757  
1 1 1 -5  27 15 o 50.56892 0.7460071 25.50044       0.7526478 24.10883       1.021594  27.15247       1.113091  -3.003315      1.492014  
1 1 1 -5  27 16 f 69.91226 0.8703123 48.95887       1.216691  49.80743       1.740941  48.14872       1.701074  1.183052       1.740625  
1 1 1 -5  27 17 o 88.11079 1.025434  77.72577       1.804746  75.32366       2.477807  80.44012       2.633934  -2.887779      2.050867  
1 1 1 -5  27 18 o 39.11877 0.7103205 15.29704       0.5551420 14.73211       0.7637595 15.92980       0.8083123 -1.527599      1.420641  
1 1 1 -5  27 19 o 28.89042 0.7457918 8.361236       0.4308389 8.163346       0.6089755 8.559543       0.6096215 -0.6856384     1.491584  
1 1 1 -5  27 20 o 61.69786 0.8258882 37.86552       1.014885  35.14709       1.361611  41.26356       1.522326  -4.942757      1.651776  
1 1 1 -5  27 21 o 57.29861 0.7908184 32.86114       0.9057093 31.94992       1.254477  33.85329       1.308995  -1.656216      1.581637  
1 1 1 -5  27 22 o 67.75951 0.8629246 45.94512       1.168169  44.39325       1.607090  47.68364       1.700988  -2.418762      1.725849  
1 1 1 -5  27 23 o 77.79970 0.9423895 60.70433       1.466284  61.11215       2.085955  60.30599       2.061537  0.5153580      1.884779  
1 1 1 -5  27 24 o 46.66244 0.7403107 21.81330       0.6908461 22.17081       0.9822994 21.46341       0.9717931 0.7570343      1.480621  
1 1 1 -5  27 25 o 41.30242 0.7271821 16.97260       0.5985516 18.91631       0.8888876 15.36012       0.8096147 4.297588       1.454364  
1 1 1 -5  27 26 o 83.68596 0.9966797 70.29753       1.668159  70.13579       2.356498  70.46000       2.361776  -0.1930008     1.993359  
1 1 1 -5  27 27 o 106.5073 1.201705  114.0691       2.559741  114.1696       3.633840  113.9701       3.606358  0.8915710E-01  2.403410  
1 1 1 -5  27 28 o 48.07237 0.7465493 22.87386       0.7123895 25.52655       1.092310  20.91038       0.9397548 4.785217       1.493099  
1 1 1 -5  27 29 o 10.71811 1.490253  1.210515       0.3098300 0.9443502      0.4558327 1.439075       0.4224056 -2.479218      2.980507  
1 1 1 -5  27 30 o 47.50141 0.7493290 22.45143       0.7083376 24.24171       1.068695  21.04870       0.9459748 3.347340       1.498658  
1 1 1 -5  27 31 o 50.46394 0.7651469 25.47730       0.7707236 26.38126       1.133104  24.69899       1.051411  1.656857       1.530294  
1 1 1 -5  27 32 o 25.06952 0.8160846 6.167050       0.4039609 7.199894       0.6363656 5.469944       0.5228038 3.434340       1.632169  
1 1 1 -5  27 33 o 35.42651 0.7530028 12.43462       0.5297013 13.86459       0.8106424 11.36911       0.6997527 3.507317       1.506006  
1 1 1 -5  27 34 o 48.92398 0.7714917 23.52324       0.7457515 27.18501       1.171316  21.02706       0.9670900 6.265404       1.542983  
1 1 1 -5  27 35 f 13.94571 1.238826  1.968669       0.3351659 1.925898       0.5413598 1.995254       0.4268013 -0.2746992     2.477651  
1 1 1 -5  27 36 o 46.32953 0.9991303 21.47079       0.8327355 21.84315       1.574800  21.32625       0.9811269 0.4437256      1.998261  
1 1 1 -5  27 37 o 17.09727 1.698882  2.804066       0.5604037 3.636751       0.9604308 2.374222       0.6900513 3.599000       3.397765  
1 1 1 -5  27 38 o 26.60145 0.8601971 7.112749       0.4526155 7.085795       0.6926257 7.132837       0.5979497 -0.1064758     1.720394  
1 1 1 -5  27 39 o 11.76862 1.636340  1.514827       0.3655169 1.094243       0.5722936 1.804595       0.4750266 -3.198612      3.272681  
1 1 1 -5  27 40 o 29.01813 0.8597463 8.523864       0.4949607 7.794403       0.7269199 9.154390       0.6758295 -2.353378      1.719493  
1 1 1 -5  27 41 o 32.40626 0.8337346 10.54960       0.5370739 10.58078       0.8056654 10.52466       0.7205212 0.6907272E-01  1.667469  
1 1 1 -5  27 42 o 40.20791 0.8230701 16.25745       0.6609412 15.93500       0.9548666 16.55404       0.9157820 -0.7777290     1.646140  
1 1 1 -5  27 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  28 1  o 77.86456 1.350420  60.71876       2.098979  63.87079       3.087360  58.00968       2.862219  3.736832       2.700839  
1 1 1 -5  28 2  f 31.15194 1.087433  9.745750       0.6764235 10.33291       0.9535319 9.150951       0.9597126 1.897682       2.174866  
1 1 1 -5  28 3  o 63.57139 1.024447  39.96587       1.202611  41.95515       2.191909  39.10915       1.438450  2.171368       2.048895  
1 1 1 -5  28 4  o 78.23135 0.9372354 61.32908       1.466330  61.95219       2.088214  60.72300       2.059491  0.7832413      1.874471  
1 1 1 -5  28 5  o 26.91973 0.7360417 7.022651       0.3887036 5.461148       0.5043691 9.306614       0.6099886 -7.135576      1.472083  
1 1 1 -5  28 6  o 64.03291 0.8210131 40.81901       1.047121  38.41767       1.405322  43.81625       1.570037  -4.203289      1.642026  
1 1 1 -5  28 7  o 96.08073 1.345136  91.34531       2.398112  96.49254       4.337903  89.07986       2.877863  3.680611       2.690273  
1 1 1 -5  28 8  o 120.5569 1.875743  146.3735       4.515192  141.5955       6.175021  151.8631       6.618961  -4.181023      3.751487  
1 1 1 -5  28 9  o 62.68219 1.130926  39.42105       1.417664  39.08213       1.989539  39.77064       2.020579  -0.5458755     2.261852  
1 1 1 -5  28 10 o 40.26683 0.8511469 15.81389       0.6377511 15.11612       0.7639287 17.41857       1.158480  -2.826523      1.702294  
1 1 1 -5  28 11 f 88.19260 1.024921  78.00339       1.807601  77.54497       2.534179  78.47820       2.579080  -0.5244827     2.049843  
1 1 1 -5  28 12 f 41.19165 0.7112293 16.97229       0.5853320 18.09694       0.8424406 15.92264       0.8138676 2.637161       1.422459  
1 1 1 -5  28 13 o 105.7922 1.189621  112.3380       2.516273  114.2388       3.613596  110.5488       3.505939  1.730652       2.379243  
1 1 1 -5  28 14 o 36.31310 0.7050467 13.18221       0.5114638 14.08964       0.7396389 12.35069       0.7080340 2.392048       1.410093  
1 1 1 -5  28 15 f 38.37439 0.7150967 14.74845       0.5487779 14.74333       0.7708402 14.75372       0.7814468 -0.1272964E-01 1.430193  
1 1 1 -5  28 16 f 83.31120 0.9859102 69.61118       1.642656  69.30603       2.308975  69.92391       2.337420  -0.3677826     1.971820  
1 1 1 -5  28 17 o 45.02605 0.7287201 20.09387       0.6527659 22.79408       0.9830890 17.96461       0.8729881 5.353985       1.457440  
1 1 1 -5  28 18 o 31.20303 1.019640  9.772901       0.6356767 10.32641       0.9024355 9.227786       0.8955690 1.759630       2.039280  
1 1 1 -5  28 19 o 33.61939 0.7285345 11.12519       0.4850698 13.52421       0.7398963 9.316870       0.6423782 6.248848       1.457069  
1 1 1 -5  28 20 o 50.32813 0.7543803 25.37813       0.7593060 25.17941       1.068580  25.58080       1.079140  -0.3977928     1.508761  
1 1 1 -5  28 21 o 47.79704 0.7439515 22.88708       0.7110853 23.16752       1.015470  22.61726       0.9960634 0.5737648      1.487903  
1 1 1 -5  28 22 o 104.1610 1.181216  108.8287       2.456592  105.2339       3.358680  112.9642       3.602402  -3.672447      2.362432  
1 1 1 -5  28 23 o 19.25509 0.9326371 3.725420       0.3585729 3.593704       0.5160891 3.848342       0.4985622 -0.6634369     1.865274  
1 1 1 -5  28 24 f 36.08742 0.7354403 12.99572       0.5296729 12.02242       0.7234176 14.12046       0.7776616 -2.901413      1.470881  
1 1 1 -5  28 25 o 54.77980 0.7849268 30.08272       0.8599615 30.15367       1.216700  30.01189       1.215639  0.1292953      1.569854  
1 1 1 -5  28 26 o 68.59483 0.8786800 47.05545       1.202923  45.04521       1.637710  49.41069       1.772674  -3.164749      1.757360  
1 1 1 -5  28 27 f 27.18670 0.7801788 7.445170       0.4220172 6.951458       0.6155468 7.883069       0.5797090 -1.717485      1.560358  
1 1 1 -5  28 28 o 11.11436 1.464748  1.279116       0.3112569 1.341057       0.4761405 1.232894       0.4113093 0.4442396      2.929496  
1 1 1 -5  28 29 o 35.58546 0.7407113 12.70698       0.5263335 11.84691       0.7425131 13.57560       0.7461961 -2.428467      1.481423  
1 1 1 -5  28 30 o 16.55445 1.118103  2.628081       0.3435781 4.412532       0.5502389 1.487703       0.4398690 8.813444       2.236206  
1 1 1 -5  28 31 o 46.57402 0.7562258 21.54965       0.7002552 23.62038       1.063240  19.96339       0.9305854 3.908276       1.512452  
1 1 1 -5  28 32 o 47.05045 0.7694064 22.21185       0.7237647 21.79803       1.030682  22.61443       1.016580  -0.8695450     1.538813  
1 1 1 -5  28 33 o 65.19165 1.087412  42.88904       1.317534  42.44788       2.338302  43.09426       1.594797  -0.6472244     2.174823  
1 1 1 -5  28 34 o 40.37012 1.132186  16.47773       0.9105431 15.34997       1.315447  17.51513       1.261642  -2.693733      2.264371  
1 1 1 -5  28 35 o 68.03117 0.9001533 46.51017       1.224549  45.96177       1.741552  47.04642       1.722157  -0.8007889     1.800307  
1 1 1 -5  28 36 o 63.47526 0.8668095 40.49109       1.100145  39.99480       1.567213  40.97325       1.544713  -0.7750931     1.733619  
1 1 1 -5  28 37 o 47.69817 0.7929831 22.85893       0.7558168 22.25019       1.082135  23.43874       1.056113  -1.250469      1.585966  
1 1 1 -5  28 38 o 59.23019 0.8461047 35.23576       1.001542  35.51898       1.447304  34.97550       1.387383  0.4470444      1.692209  
1 1 1 -5  28 39 o 25.14046 0.9195691 6.442107       0.4558289 5.684634       0.6775972 7.068255       0.6160659 -2.765709      1.839138  
1 1 1 -5  28 40 o 18.21714 1.132669  3.304324       0.4088741 3.667721       0.6325687 3.043546       0.5358607 1.686182       2.265337  
1 1 1 -5  28 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  29 1  o 42.22451 0.7021159 17.82894       0.5924891 18.64052       0.8574196 17.08725       0.8196670 1.836491       1.404232  
1 1 1 -5  29 2  o 85.69975 1.213231  74.21500       1.990985  72.19363       3.313129  75.35760       2.490924  -1.950203      2.426463  
1 1 1 -5  29 3  o 62.19930 1.114436  38.79242       1.385292  37.88180       1.914517  39.79308       2.006946  -1.525494      2.228872  
1 1 1 -5  29 4  o 101.5961 1.613072  103.9850       3.276713  102.4637       4.568804  105.5963       4.702011  -1.518852      3.226144  
1 1 1 -5  29 5  o 50.55939 1.020902  25.62167       1.031899  26.49247       1.484210  24.80692       1.435652  1.661625       2.041804  
1 1 1 -5  29 6  f 112.3024 2.022051  126.6620       3.558537  126.0420       3.950320  129.3307       8.195846  -0.5949173     4.044102  
1 1 1 -5  29 7  f 21.08750 1.314199  4.437060       0.5476989 3.559890       0.7425804 5.483497       0.8110697 -4.551382      2.628398  
1 1 1 -5  29 8  o 112.5592 1.794703  127.8715       4.037753  125.6712       5.595652  130.2616       5.832179  -1.992783      3.589407  
1 1 1 -5  29 9  f 136.5367 2.131304  188.3343       5.800554  180.5537       7.829849  197.7987       8.635667  -6.124924      4.262608  
1 1 1 -5  29 10 o 15.04605 1.328616  2.218955       0.3753019 2.442566       0.6698880 2.116662       0.4530845 1.050817       2.657233  
1 1 1 -5  29 11 o 11.82917 1.329851  1.440891       0.3043036 1.590877       0.4195761 1.274445       0.4419994 1.511033       2.659701  
1 1 1 -5  29 12 o 9.915546 1.584541  1.035098       0.3071439 1.134403       0.4260119 0.9276007      0.4432338 1.022296       3.169083  
1 1 1 -5  29 13 o 79.55302 0.9561280 63.04936       1.514413  67.96581       2.277343  59.15160       2.027731  5.511368       1.912256  
1 1 1 -5  29 14 o 78.95500 0.9505976 62.49347       1.500351  61.33274       2.082752  63.74554       2.163164  -1.518639      1.901195  
1 1 1 -5  29 15 o 25.21360 0.8054960 6.340939       0.4028691 7.561973       0.5913419 5.283321       0.5503502 4.514591       1.610992  
1 1 1 -5  29 16 o 30.14409 0.7481390 8.923809       0.4465246 7.682901       0.5855517 10.64813       0.6902476 -4.908352      1.496278  
1 1 1 -5  29 17 f 28.89650 0.7577937 8.365349       0.4378714 8.585822       0.6250842 8.152928       0.6135637 0.7478905      1.515587  
1 1 1 -5  29 18 o 43.76727 0.7375841 19.00963       0.6425049 17.11255       0.8606514 21.39790       0.9656670 -4.885174      1.475168  
1 1 1 -5  29 19 f 42.68881 0.7329081 18.25516       0.6256061 18.78760       0.8929450 17.74184       0.8767583 1.223255       1.465816  
1 1 1 -5  29 20 o 49.66901 0.7578926 24.52596       0.7497017 22.49984       1.006082  27.05575       1.124201  -4.573948      1.515785  
1 1 1 -5  29 21 o 44.00472 0.7378280 19.29797       0.6475240 17.84952       0.8776156 21.02860       0.9593011 -3.603642      1.475656  
1 1 1 -5  29 22 o 28.96464 0.7854138 8.395215       0.4539779 9.218165       0.6563499 7.640399       0.6285926 2.720440       1.570828  
1 1 1 -5  29 23 o 45.33655 0.7551609 20.41196       0.6813421 22.63089       1.027371  18.66978       0.9103364 4.355595       1.510322  
1 1 1 -5  29 24 o 73.79952 0.9230698 54.62368       1.361783  55.87920       1.963461  53.45995       1.890323  1.628830       1.846140  
1 1 1 -5  29 25 f 69.01665 0.8861631 47.79351       1.223017  48.40001       1.748131  47.21206       1.711661  0.8553925      1.772326  
1 1 1 -5  29 26 o 75.81001 0.9452462 57.69639       1.432731  58.67030       2.057765  56.78005       1.996019  1.236671       1.890492  
1 1 1 -5  29 27 o 14.35831 1.180686  2.105597       0.3330592 1.883667       0.5043786 2.277189       0.4435050 -1.382869      2.361372  
1 1 1 -5  29 28 o 17.96219 0.9907511 3.281395       0.3502555 2.982083       0.5303437 3.512938       0.4664559 -1.488768      1.981502  
1 1 1 -5  29 29 o 13.13365 1.408192  1.877407       0.3379042 1.189866       0.4987669 2.460685       0.4593948 -5.020205      2.816383  
1 1 1 -5  29 30 f 54.14971 1.007983  29.64012       1.013151  29.04838       1.797969  29.91544       1.226400  -0.9070587     2.015966  
1 1 1 -5  29 31 o 9.445539 2.179736  0.8738341      0.5019891 0.3547564      0.7749380 1.249130       0.6589273 -2.836986      4.359472  
1 1 1 -5  29 32 o 24.11031 0.8793617 5.671241       0.4176371 6.903169       0.6636543 4.863495       0.5373867 4.207447       1.758723  
1 1 1 -5  29 33 o 18.85877 1.051884  3.673626       0.3830213 3.170176       0.6020830 4.015883       0.4964265 -2.266123      2.103767  
1 1 1 -5  29 34 o 31.78214 0.8135497 10.19813       0.5114462 8.401192       0.7181861 12.04712       0.7285128 -5.733969      1.627099  
1 1 1 -5  29 35 o 18.21244 1.094789  3.423217       0.3884868 2.865549       0.5883082 3.854420       0.5173190 -2.731955      2.189578  
1 1 1 -5  29 36 o 42.19741 0.7884447 17.88471       0.6641113 17.80622       0.9687534 17.95430       0.9121873 -0.1859894     1.576889  
1 1 1 -5  29 37 o 15.43602 1.247783  2.355329       0.3791454 2.712401       0.6048472 2.124207       0.4866178 1.867986       2.495565  
1 1 1 -5  29 38 o 32.45506 0.8247514 10.54377       0.5302585 10.85916       0.8128204 10.31009       0.6996402 0.8231239      1.649503  
1 1 1 -5  29 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  30 1  o 64.69450 0.8383314 41.61619       1.078452  38.95697       1.434606  45.07171       1.635360  -4.704670      1.676663  
1 1 1 -5  30 2  o 47.22952 0.7280804 22.30705       0.6870984 23.41714       0.9973973 21.30440       0.9478989 2.232151       1.456161  
1 1 1 -5  30 3  o 88.73013 1.033954  78.48418       1.825348  73.99677       2.436059  84.22930       2.756380  -5.724434      2.067908  
1 1 1 -5  30 4  o 40.32528 0.7090014 16.29408       0.5716662 16.67427       0.8069520 15.91103       0.8099728 0.9466248      1.418003  
1 1 1 -5  30 5  o 104.5189 1.179679  109.4085       2.459271  104.9612       3.333150  114.7222       3.643391  -4.623116      2.359359  
1 1 1 -5  30 6  o 60.07949 0.8055452 36.05290       0.9661158 38.34219       1.420126  34.08058       1.318154  3.536156       1.611090  
1 1 1 -5  30 7  f 68.96191 0.8683617 47.48391       1.194038  45.21529       1.613979  50.22681       1.774687  -3.615578      1.736723  
1 1 1 -5  30 8  o 68.23874 0.8641427 46.55365       1.176811  44.68900       1.601637  48.74141       1.734860  -2.954308      1.728285  
1 1 1 -5  30 9  o 9.445717 1.598882  0.9393281      0.2978268 0.9828860      0.4080968 0.8896942      0.4356315 0.4730911      3.197764  
1 1 1 -5  30 10 o 41.19091 0.7116999 16.78287       0.5820497 15.24992       0.7686261 18.84368       0.8911920 -4.350704      1.423400  
1 1 1 -5  30 11 o 17.34073 0.9645026 3.019158       0.3339538 3.240558       0.4749270 2.802622       0.4696808 1.262058       1.929005  
1 1 1 -5  30 12 o 17.63782 0.9804215 3.143573       0.3434180 3.386114       0.4713700 2.869201       0.5013480 1.469311       1.960843  
1 1 1 -5  30 13 o 10.14112 1.817468  1.031919       0.3626952 0.8468546      0.4589960 1.339577       0.5918089 -2.266780      3.634937  
1 1 1 -5  30 14 o 48.98525 0.9279552 24.06950       0.8519841 24.05807       1.037488  24.09315       1.493029  0.2119446E-01  1.855910  
1 1 1 -5  30 15 o 21.46546 1.215041  4.630002       0.5192628 5.252894       0.7492973 4.054451       0.7202599 2.786669       2.430083  
1 1 1 -5  30 16 f 40.82417 1.036269  16.70373       0.8450400 17.89577       1.224450  15.61963       1.167702  2.779339       2.072537  
1 1 1 -5  30 17 o 32.76227 1.041778  10.66873       0.6780727 12.56135       1.013925  9.137398       0.9120275 5.210041       2.083556  
1 1 1 -5  30 18 f 34.88633 1.029330  12.22700       0.7173440 12.28924       0.9920951 12.15880       1.038447  0.1939240      2.058661  
1 1 1 -5  30 19 f 30.83592 0.9934868 9.733116       0.6008166 8.097265       0.8876414 11.11628       0.8162116 -4.905622      1.986974  
1 1 1 -5  30 20 o 27.65185 0.9446842 7.667156       0.5018575 7.707593       0.8360555 7.644378       0.6274796 0.8428001E-01  1.889368  
1 1 1 -5  30 21 o 54.03370 0.8598160 28.99459       0.9106907 30.77239       1.457476  27.85593       1.166427  2.658150       1.719632  
1 1 1 -5  30 22 o 63.99549 0.8551344 41.07589       1.094119  41.96806       1.572764  40.23921       1.523068  1.343491       1.710269  
1 1 1 -5  30 23 o 58.90872 0.8230271 34.77622       0.9690288 36.03888       1.401709  33.62037       1.341125  2.044010       1.646054  
1 1 1 -5  30 24 o 79.50763 0.9748617 63.47087       1.549542  65.00483       2.230897  62.04095       2.153896  1.850662       1.949723  
1 1 1 -5  30 25 o 23.32982 0.8744888 5.456898       0.4072570 5.945920       0.5865629 5.001740       0.5658900 2.020344       1.748978  
1 1 1 -5  30 26 o 22.71994 0.9112973 5.195185       0.4131788 4.882390       0.5908077 5.494616       0.5780473 -1.349445      1.822595  
1 1 1 -5  30 27 o 76.03400 1.353421  58.38915       2.057884  57.49980       2.914465  59.27341       2.906127  -1.168480      2.706841  
1 1 1 -5  30 28 o 39.18736 1.077153  15.43890       0.8388498 15.61115       1.262434  15.30273       1.122485  0.3636398      2.154306  
1 1 1 -5  30 29 f 23.72791 0.8837496 5.626511       0.4168201 5.904282       0.6311187 5.411614       0.5551140 1.024616       1.767499  
1 1 1 -5  30 30 o 44.30371 0.7695324 19.66102       0.6810170 20.46327       0.9938477 18.95089       0.9350466 1.696972       1.539065  
1 1 1 -5  30 31 o 26.10704 0.8305702 6.744802       0.4283730 7.473127       0.6716380 6.245350       0.5561846 2.330084       1.661140  
1 1 1 -5  30 32 f 37.65000 0.7699191 14.19217       0.5765087 14.55718       0.8669395 13.90278       0.7719207 0.8528061      1.539838  
1 1 1 -5  30 33 o 44.01952 0.7859498 19.39878       0.6894318 20.09370       1.026622  18.82794       0.9304623 1.420223       1.571900  
1 1 1 -5  30 34 o 36.47429 0.7873823 13.33004       0.5726230 13.74178       0.8487432 12.98605       0.7757879 1.021832       1.574765  
1 1 1 -5  30 35 o 47.56213 0.8044339 22.70019       0.7637486 20.80696       1.062171  24.72690       1.098976  -4.113480      1.608868  
1 1 1 -5  30 36 o 24.38120 1.717488  0.000000       0.000000  ?              ?         6.005373       0.8374882 ?              ?         
1 1 1 -5  31 1  o 38.26469 0.7075840 14.66978       0.5412709 15.26909       0.7701670 14.08486       0.7608631 1.546497       1.415168  
1 1 1 -5  31 2  o 54.40897 0.7707417 29.39738       0.8340082 27.16412       1.109933  32.29342       1.263950  -4.696968      1.541483  
1 1 1 -5  31 3  f 28.69550 0.7282524 8.255915       0.4177348 8.460215       0.5866138 8.045727       0.5950081 0.7230740      1.456505  
1 1 1 -5  31 4  o 45.76315 0.7324682 20.65627       0.6646265 18.48599       0.8730363 23.64780       1.024992  -5.624004      1.464936  
1 1 1 -5  31 5  o 40.94970 0.7118428 16.76678       0.5823607 17.77949       0.8457506 15.85370       0.8030707 2.347111       1.423686  
1 1 1 -5  31 6  o 31.11814 0.7277522 9.615246       0.4508426 8.690681       0.6045959 10.77330       0.6766458 -3.338839      1.455504  
1 1 1 -5  31 7  o 74.71906 0.9212456 55.93267       1.375220  54.18422       1.892230  57.89012       2.002129  -2.465355      1.842491  
1 1 1 -5  31 8  o 116.5668 1.300109  136.8087       3.030782  136.0568       4.256978  137.5815       4.315977  -0.6429138     2.600217  
1 1 1 -5  31 9  o 71.85091 1.291267  51.94707       1.854095  51.19990       2.563854  52.76619       2.684474  -1.067284      2.582535  
1 1 1 -5  31 10 o 47.23892 0.7403343 22.36289       0.6992138 22.26171       0.9751898 22.46993       1.003075  -0.2173653     1.480669  
1 1 1 -5  31 11 o 56.62688 0.7891572 31.93137       0.8905272 34.84498       1.329620  29.56115       1.199239  4.650414       1.578314  
1 1 1 -5  31 12 o 36.54858 0.7237234 13.38628       0.5288530 13.35536       0.7382562 13.41887       0.7579550 -0.8478928E-01 1.447447  
1 1 1 -5  31 13 o 49.33113 0.7562941 24.29285       0.7444756 22.89346       1.012067  25.94295       1.098992  -3.081028      1.512588  
1 1 1 -5  31 14 o 18.09825 0.9924568 3.288138       0.3589065 3.097752       0.5022197 3.486858       0.5130960 -1.073332      1.984914  
1 1 1 -5  31 15 o 44.85600 0.7446400 20.15771       0.6677989 19.67062       0.9296139 20.67709       0.9599364 -1.118309      1.489280  
1 1 1 -5  31 16 o 51.03439 0.7722766 26.10730       0.7880446 25.68509       1.099138  26.55389       1.130448  -0.8471909     1.544553  
1 1 1 -5  31 17 o 36.81878 0.7435261 13.57784       0.5472025 13.00910       0.7603889 14.18875       0.7880757 -1.598427      1.487052  
1 1 1 -5  31 18 o 20.80346 0.9211283 4.336231       0.3788698 3.499116       0.5199252 5.284027       0.5532299 -4.284622      1.842257  
1 1 1 -5  31 19 o 32.07022 0.7628811 10.26510       0.4881039 9.426790       0.6652260 11.24279       0.7184034 -2.824144      1.525762  
1 1 1 -5  31 20 o 56.92667 0.8064758 32.31544       0.9150099 30.21107       1.232787  34.89687       1.365388  -4.096771      1.612952  
1 1 1 -5  31 21 o 35.68069 0.7566643 12.76699       0.5399442 12.68356       0.7594138 12.85228       0.7678487 -0.2352943     1.513329  
1 1 1 -5  31 22 o 34.37295 0.7687681 11.81749       0.5276886 11.00947       0.7258183 12.72343       0.7685416 -2.487198      1.537536  
1 1 1 -5  31 23 o 62.16018 1.053903  38.77857       1.225719  39.12470       2.158799  38.61391       1.489002  0.2792892      2.107806  
1 1 1 -5  31 24 o 21.54594 1.521444  4.714701       0.6525641 4.187500       0.9211901 5.245753       0.9245489 -2.454802      3.042888  
1 1 1 -5  31 25 o 26.29631 1.111890  7.028026       0.5407425 7.137706       0.6537333 6.790404       0.9622346 0.7272911      2.223779  
1 1 1 -5  31 26 o 39.66165 0.7766482 15.78813       0.6159702 15.94689       0.8665087 15.62596       0.8757924 0.4060860      1.553296  
1 1 1 -5  31 27 o 32.10979 0.7902015 10.14661       0.5024251 12.06605       0.7769587 8.767118       0.6586747 5.116186       1.580403  
1 1 1 -5  31 28 o 28.23272 0.9767352 8.063258       0.5370974 8.223941       0.6894823 7.815267       0.8565590 0.7595501      1.953470  
1 1 1 -5  31 29 o 34.67820 0.9531648 12.10065       0.6385059 12.11800       0.8052436 12.07126       1.047923  0.1184959      1.906330  
1 1 1 -5  31 30 o 17.23383 1.318010  2.952535       0.4503877 2.573714       0.5934319 3.467185       0.6916870 -2.562221      2.636021  
1 1 1 -5  31 31 f 52.39636 1.030370  27.19431       1.046268  25.88517       1.311417  29.48672       1.735383  -3.330315      2.060739  
1 1 1 -5  31 32 o 43.04751 0.9923299 18.16058       0.8306277 16.67635       1.041162  20.75915       1.377637  -4.658119      1.984660  
1 1 1 -5  31 33 o 18.48621 1.466879  3.470906       0.5386470 3.443620       0.8083689 3.492697       0.7223861 -0.1634464     2.933758  
1 1 1 -5  31 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  32 1  o 22.64097 0.8505384 5.072481       0.3799750 4.022501       0.5084252 6.400941       0.5718874 -5.243807      1.701077  
1 1 1 -5  32 2  o 50.93633 0.7627837 25.95174       0.7757207 25.00726       1.059819  27.04160       1.138468  -1.987198      1.525567  
1 1 1 -5  32 3  o 66.42723 0.8585518 43.77234       1.131862  40.44291       1.492281  48.28216       1.736785  -5.866467      1.717104  
1 1 1 -5  32 4  o 55.98797 0.7866711 31.37220       0.8797253 30.24142       1.206907  32.65405       1.285001  -2.144566      1.573342  
1 1 1 -5  32 5  o 8.326683 2.098089  0.5323680      0.4628237 0.9672566      0.6723843 0.1407848      0.6380292 2.892455       4.196178  
1 1 1 -5  32 6  o 17.13046 1.012344  2.949537       0.3467170 3.029501       0.4892725 2.868877       0.4913984 0.4691830      2.024688  
1 1 1 -5  32 7  o 41.85167 0.7260030 17.46217       0.6055735 16.44252       0.8158435 18.71326       0.9036999 -2.702133      1.452006  
1 1 1 -5  32 8  o 7.683471 1.658791  0.5754847      0.2977372 0.8762657      0.4160878 0.2598720      0.4262231 2.884130       3.317582  
1 1 1 -5  32 9  o 41.11686 0.7257416 16.96423       0.5962548 17.44026       0.8335709 16.46547       0.8532360 1.187859       1.451483  
1 1 1 -5  32 10 o 18.11764 0.9343159 3.287428       0.3380772 3.090096       0.4644527 3.509813       0.4930551 -1.153652      1.868632  
1 1 1 -5  32 11 o 25.74138 0.7926778 6.667201       0.4068047 7.136661       0.5684351 6.174327       0.5824379 1.871176       1.585356  
1 1 1 -5  32 12 o 62.93076 0.8363723 39.73143       1.052445  39.31466       1.470385  40.16925       1.507056  -0.6735954     1.672745  
1 1 1 -5  32 13 f 60.76050 0.8231189 37.01550       0.9997240 36.24479       1.386480  37.85016       1.442850  -1.312881      1.646238  
1 1 1 -5  32 14 o 41.95430 0.7411976 17.65387       0.6217486 17.85155       0.8719460 17.44938       0.8868132 0.4812355      1.482395  
1 1 1 -5  32 15 o 35.71050 0.7422107 12.78416       0.5300075 12.47449       0.7432034 13.10463       0.7560495 -0.8806038     1.484421  
1 1 1 -5  32 16 o 42.74707 0.7447053 18.32074       0.6366123 18.04456       0.8926126 18.60665       0.9082015 -0.6553802     1.489411  
1 1 1 -5  32 17 o 32.06248 0.7634174 10.28400       0.4888180 9.578008       0.6732405 11.07115       0.7108804 -2.323227      1.526835  
1 1 1 -5  32 18 o 63.76722 0.8521431 40.79784       1.086239  40.14769       1.508211  41.49856       1.565751  -1.049965      1.704286  
1 1 1 -5  32 19 o 65.85149 1.068103  44.21098       1.345744  41.59066       2.222352  45.72817       1.691042  -3.250381      2.136206  
1 1 1 -5  32 20 o 35.96515 1.100121  13.02150       0.7901207 12.08213       1.106532  13.99871       1.128593  -2.659683      2.200241  
1 1 1 -5  32 21 o 36.97809 0.9515259 13.51710       0.6664823 13.06100       0.8138950 14.44548       1.161190  -1.806263      1.903052  
1 1 1 -5  32 22 o 9.660711 1.760710  0.9846624      0.3430586 1.069553       0.4911113 0.9037668      0.4794162 0.7872105      3.521419  
1 1 1 -5  32 23 o 53.55635 0.8066208 28.79921       0.8639624 28.88247       1.227760  28.71755       1.215980  0.1518593      1.613242  
1 1 1 -5  32 24 o 46.68618 0.7802032 21.84291       0.7278538 22.79214       1.056479  20.98531       1.004192  1.926022       1.560406  
1 1 1 -5  32 25 o 38.13407 0.7774681 14.59516       0.5929118 14.73662       0.8451462 14.45807       0.8320160 0.3629723      1.554936  
1 1 1 -5  32 26 o 41.43430 0.7800953 17.22316       0.6462213 16.76370       0.8995101 17.71323       0.9289926 -1.140602      1.560191  
1 1 1 -5  32 27 o 39.42018 0.7640618 15.59464       0.6014041 15.69220       0.8771721 15.50810       0.8261471 0.2243233      1.528124  
1 1 1 -5  32 28 o 28.00167 0.8327174 7.917959       0.4633867 7.464589       0.6829463 8.304751       0.6308099 -1.510962      1.665435  
1 1 1 -5  32 29 f 55.37150 0.8175762 30.80080       0.9052569 30.01740       1.272890  31.60253       1.287691  -1.428333      1.635152  
1 1 1 -5  32 30 o 42.47665 0.7867206 17.95347       0.6630133 19.39370       1.017193  16.88960       0.8742434 2.920135       1.573441  
1 1 1 -5  32 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  33 1  o 94.21820 1.094803  89.30341       2.062856  88.87383       2.897064  89.74522       2.938005  -0.4544144     2.189606  
1 1 1 -5  33 2  o 45.08707 0.7500393 19.96965       0.6689275 17.57472       0.8713572 23.40663       1.043849  -6.444233      1.500079  
1 1 1 -5  33 3  o 58.66489 0.8101742 34.52118       0.9502370 34.21871       1.323863  34.84262       1.364746  -0.5258369     1.620348  
1 1 1 -5  33 4  o 81.23609 0.9801998 65.67638       1.581091  61.32539       2.089878  71.49990       2.417794  -6.204697      1.960400  
1 1 1 -5  33 5  o 9.247694 1.666642  0.9058684      0.3122191 1.071664       0.4328821 0.7261043      0.4507487 1.695543       3.333285  
1 1 1 -5  33 6  o 10.21192 1.588978  1.094972       0.3158327 1.019933       0.4384300 1.175919       0.4553608 -0.7389479     3.177955  
1 1 1 -5  33 7  o 31.42892 0.7514998 9.876978       0.4710625 10.97705       0.6851081 8.890589       0.6487442 3.314369       1.503000  
1 1 1 -5  33 8  o 93.81541 1.092418  88.55766       2.049707  88.84904       2.900783  88.26711       2.896669  0.3093185      2.184836  
1 1 1 -5  33 9  o 23.99721 0.8395334 5.780473       0.4019486 5.787489       0.5498056 5.772419       0.5891098 0.3751564E-01  1.679067  
1 1 1 -5  33 10 o 25.67274 0.8265271 6.606216       0.4239890 6.424716       0.5844840 6.807804       0.6159769 -0.7411995     1.653054  
1 1 1 -5  33 11 o 60.43688 0.8281467 36.65708       1.000874  36.39101       1.401897  36.93370       1.429404  -0.4446106     1.656293  
1 1 1 -5  33 12 f 56.89399 0.8058887 32.48742       0.9169392 32.77497       1.293113  32.19661       1.300413  0.5094261      1.611777  
1 1 1 -5  33 13 o 12.51291 1.399487  1.643867       0.3284988 2.215301       0.4694875 1.095775       0.4597988 4.638210       2.798973  
1 1 1 -5  33 14 o 46.60062 0.7567165 21.72567       0.7041200 20.75039       0.9627261 22.84740       1.032482  -2.239471      1.513433  
1 1 1 -5  33 15 o 54.85226 1.012057  30.10716       1.084057  30.97300       1.742632  29.56057       1.384573  1.215218       2.024115  
1 1 1 -5  33 16 o 52.93416 1.108436  28.21488       1.173255  28.42867       1.678350  28.01056       1.640753  0.3864136      2.216871  
1 1 1 -5  33 17 o 33.99329 0.9424869 11.42988       0.6058285 11.06009       0.7387299 12.18938       1.058719  -1.597160      1.884974  
1 1 1 -5  33 18 o 51.39667 0.7884695 26.35824       0.8078624 24.49608       1.090493  28.62338       1.202712  -3.995457      1.576939  
1 1 1 -5  33 19 o 37.47136 0.7607681 14.08961       0.5700842 14.34704       0.8122838 13.83973       0.8002917 0.6748962      1.521536  
1 1 1 -5  33 20 o 65.01895 0.8704726 42.33870       1.129803  44.67413       1.661523  40.33017       1.540856  3.317383       1.740945  
1 1 1 -5  33 21 o 43.35157 0.7691787 18.86408       0.6668910 18.94178       0.9417585 18.78593       0.9444999 0.1802216      1.538357  
1 1 1 -5  33 22 o 19.60253 1.018073  3.881789       0.3977165 3.587880       0.5707045 4.159300       0.5545554 -1.461271      2.036146  
1 1 1 -5  33 23 o 43.30408 0.7839642 18.81170       0.6785502 18.34736       0.9394985 19.31806       0.9810812 -1.113079      1.567928  
1 1 1 -5  33 24 o 15.96997 1.206611  2.584365       0.3841545 2.427852       0.5540524 2.729268       0.5331060 -0.9499445     2.413221  
1 1 1 -5  33 25 o 46.67064 0.7921483 21.85286       0.7389588 20.96913       1.025381  22.80779       1.065886  -1.961754      1.584297  
1 1 1 -5  33 26 o 12.23811 1.520742  1.538317       0.3615077 1.848923       0.5314182 1.270765       0.4932149 2.538792       3.041483  
1 1 1 -5  33 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  34 1  o 25.45529 0.8300669 6.431487       0.4199542 5.584070       0.5626658 7.497237       0.6310010 -3.746307      1.660134  
1 1 1 -5  34 2  o 25.69247 1.094972  6.556184       0.5022050 6.448377       0.5875157 6.848661       0.9677008 -0.6958942     2.189945  
1 1 1 -5  34 3  o 74.23933 1.366250  55.22371       2.014511  51.83898       2.666694  59.72293       3.074534  -5.195831      2.732501  
1 1 1 -5  34 4  o 58.69564 1.215887  34.74474       1.426989  34.63183       1.994466  34.86315       2.042526  -0.1850662     2.431774  
1 1 1 -5  34 5  o 75.07663 1.235216  57.24951       1.837327  53.57054       2.739352  60.25787       2.477137  -4.520195      2.470432  
1 1 1 -5  34 6  o 20.44394 1.053621  4.073837       0.4218007 4.869223       0.6873755 3.593434       0.5342046 3.086439       2.107242  
1 1 1 -5  34 7  o 37.42348 0.7494860 13.87998       0.5574988 12.23563       0.7432974 15.99459       0.8429087 -5.006397      1.498972  
1 1 1 -5  34 8  o 5.664737 1.674014  0.5571648E-01  0.3191505 -0.3607458E-01 0.4460718 0.1519816      0.4568137 -0.6543331     3.348027  
1 1 1 -5  34 9  o 39.04414 0.7498727 15.29748       0.5854305 15.28721       0.8191448 15.30821       0.8369910 -0.2396011E-01 1.499745  
1 1 1 -5  34 10 o 34.76784 0.9033732 12.13471       0.6054238 12.20834       1.000888  12.09223       0.7602853 0.1189804      1.806746  
1 1 1 -5  34 11 o 9.544852 1.970744  0.8218443      0.4566559 0.1158542      0.6262376 1.623544       0.6673380 -5.623948      3.941487  
1 1 1 -5  34 12 o 44.06629 0.9599470 19.25275       0.8236558 18.37604       1.040734  20.72233       1.347439  -2.596886      1.919894  
1 1 1 -5  34 13 o 9.866681 1.731725  1.045449       0.3456132 1.288841       0.4731246 0.7669699      0.5060799 2.427567       3.463449  
1 1 1 -5  34 14 o 16.71621 1.115808  2.812674       0.3722948 2.765324       0.5087976 2.867241       0.5461987 -0.2956333     2.231617  
1 1 1 -5  34 15 o 5.390590 1.649102  -0.7160868E-01 0.3283604 -0.1825371     0.4475148 0.5776380E-01  0.4832892 -0.8852210     3.298203  
1 1 1 -5  34 16 o 24.96480 0.8785610 6.249330       0.4373534 5.602048       0.6042783 6.961401       0.6337994 -2.716648      1.757122  
1 1 1 -5  34 17 o 38.69696 0.7746540 15.03398       0.5995195 14.94395       0.8490461 15.12351       0.8466561 -0.2324371     1.549308  
1 1 1 -5  34 18 o 66.69913 0.8854576 44.70330       1.180808  43.97271       1.644868  45.48016       1.696142  -1.119209      1.770915  
1 1 1 -5  34 19 o 63.59968 0.8664390 40.65939       1.102071  41.00593       1.565830  40.31920       1.551398  0.5367889      1.732878  
1 1 1 -5  34 20 o 60.03168 0.8427622 36.18989       1.011256  35.35764       1.401222  37.09455       1.460909  -1.433956      1.685524  
1 1 1 -5  34 21 o 33.10717 0.8131278 10.97963       0.5371769 9.990682       0.7399030 12.08188       0.7811388 -3.149942      1.626256  
1 1 1 -5  34 22 o 95.87762 1.129388  92.63785       2.164007  90.38339       2.990336  95.11662       3.135562  -2.428329      2.258777  
1 1 1 -5  34 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  35 1  o 35.74626 0.7657887 12.78713       0.5462596 12.27101       0.7430274 13.39421       0.8058459 -1.560078      1.531577  
1 1 1 -5  35 2  f 27.24589 0.8198249 7.457089       0.4455805 8.177303       0.6370043 6.767078       0.6235044 2.585436       1.639650  
1 1 1 -5  35 3  o 20.81241 0.9395585 4.379865       0.3880224 4.996453       0.5479157 3.759523       0.5495812 2.971972       1.879117  
1 1 1 -5  35 4  o 12.23477 1.535076  1.560524       0.3633080 1.406211       0.5368543 1.690906       0.4934729 -1.385305      3.070152  
1 1 1 -5  35 5  o 27.72729 1.059499  7.736959       0.5872209 8.093251       0.8440139 7.402675       0.8175306 1.238850       2.118999  
1 1 1 -5  35 6  o 14.96520 1.554496  2.282990       0.4633406 2.395065       0.6377094 2.157666       0.6743498 0.8062830      3.108992  
1 1 1 -5  35 7  o 19.07785 1.151043  3.550614       0.4259748 3.212031       0.5309735 4.162064       0.7135436 -2.440945      2.302086  
1 1 1 -5  35 8  o 62.28891 0.8515272 38.89256       1.058596  37.63439       1.442497  40.36098       1.558369  -2.165527      1.703054  
1 1 1 -5  35 9  o 57.25280 0.8210103 32.92411       0.9400592 33.33380       1.336296  32.52273       1.322697  0.7056808      1.642021  
1 1 1 -5  35 10 o 79.95103 0.9834616 64.27063       1.571159  62.73691       2.167329  65.96935       2.280931  -1.994606      1.966923  
1 1 1 -5  35 11 o 89.35374 1.323208  80.37476       2.199092  79.62744       2.655074  82.00757       3.924542  -0.9261322     2.646415  
1 1 1 -5  35 12 o 26.68545 1.115253  7.216423       0.5774798 7.322969       0.7358547 7.045597       0.9317470 0.5738373      2.230506  
1 1 1 -5  35 13 o 39.99348 1.113935  16.13959       0.8896402 17.31574       1.267729  14.99837       1.248768  2.891857       2.227870  
1 1 1 -5  35 14 o 12.58568 2.161577  1.700382       0.5395156 1.839275       0.7624564 1.561098       0.7635251 1.047486       4.323153  
1 1 1 -5  35 15 o 19.51934 1.465488  3.871952       0.5682280 4.462391       0.8149208 3.313232       0.7927302 2.935694       2.930976  
1 1 1 -5  35 16 o 36.85447 1.117454  13.57995       0.8189852 12.63195       1.089631  14.81092       1.241640  -2.914719      2.234908  
1 1 1 -5  35 17 o 8.731306 3.210943  0.000000       0.000000  ?              ?         0.6454423      0.7366242 ?              ?         
1 1 1 -5  35 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  36 1  o 53.49149 1.069259  28.77803       1.142695  30.45318       1.660302  27.27040       1.575092  2.952732       2.138518  
1 1 1 -5  36 2  o 31.71859 0.8937615 10.12836       0.5545974 10.05755       0.8793368 10.17512       0.7146625 -0.2211170     1.787523  
1 1 1 -5  36 3  o 65.03766 1.046930  41.91043       1.284312  44.74412       2.255978  40.55169       1.562168  3.046875       2.093860  
1 1 1 -5  36 4  f 14.12956 1.485236  2.035775       0.4133410 1.973233       0.6370738 2.081242       0.5431917 -0.4161777     2.970471  
1 1 1 -5  36 5  o 75.43903 1.216151  57.55503       1.814644  57.08227       2.773429  57.90892       2.399567  -0.6592178     2.432302  
1 1 1 -5  36 6  o 25.66008 1.142211  6.649254       0.5853873 7.061016       0.8291962 6.240129       0.8265356 1.598795       2.284423  
1 1 1 -5  36 7  o 77.53067 1.906521  0.000000       0.000000  ?              ?         60.87761       2.956277  ?              ?         
1 1 1 -5  36 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  36 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -5  36 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  0  1  o 314.8707 4.715327  986.5541       29.49353  929.4200       39.24900  1060.664       44.70113  -0.000000      0.000000  
1 1 1 -4  0  2  o 202.7162 3.004902  410.6638       12.14331  426.0592       17.90395  397.5481       16.52526  -0.000000      0.000000  
1 1 1 -4  0  3  o 317.5467 4.673323  1010.014       29.62979  990.0908       40.98071  1031.837       42.89018  -0.000000      0.000000  
1 1 1 -4  0  4  o 168.2229 2.505411  283.1955       8.414433  289.8561       12.19249  277.1381       11.62723  -0.000000      0.000000  
1 1 1 -4  0  5  o 200.7252 2.971268  403.6199       11.91638  402.3915       16.80133  404.8633       16.90373  -0.000000      0.000000  
1 1 1 -4  0  6  o 299.1165 4.406864  892.2845       26.22209  943.0016       39.34674  851.7615       35.17089  -0.000000      0.000000  
1 1 1 -4  0  7  o 162.2332 2.415215  263.0797       7.815033  272.4323       11.46692  254.9679       10.67932  -0.000000      0.000000  
1 1 1 -4  0  8  o 323.8853 4.785058  1032.669       30.45247  1153.447       48.59821  954.5875       39.07532  -0.000000      0.000000  
1 1 1 -4  0  9  o 37.15512 0.7156926 13.82943       0.5308092 13.56112       0.7399625 14.11387       0.7618722 -0.000000      0.000000  
1 1 1 -4  0  10 o 344.1625 5.117413  1180.599       35.03204  1117.455       46.93202  1260.049       52.64410  -0.000000      0.000000  
1 1 1 -4  0  11 f 220.5453 3.263192  487.2850       14.37900  485.0076       20.22613  489.6120       20.44561  -0.000000      0.000000  
1 1 1 -4  0  12 o 364.4900 5.381017  1329.270       39.12656  1284.557       53.54179  1380.511       57.31763  -0.000000      0.000000  
1 1 1 -4  0  13 f 146.5693 2.194111  215.1329       6.424807  213.4760       9.014645  216.8433       9.159178  -0.000000      0.000000  
1 1 1 -4  0  14 o 170.0751 2.532721  289.6379       8.605047  292.8984       12.30839  286.5208       12.03497  -0.000000      0.000000  
1 1 1 -4  0  15 o 479.4726 7.054399  2288.173       67.14297  2166.851       89.10675  2447.545       102.1287  -0.000000      0.000000  
1 1 1 -4  0  16 o 306.4866 4.512430  940.3780       27.61618  922.9980       38.25914  959.2835       39.90306  -0.000000      0.000000  
1 1 1 -4  0  17 o 50.13739 1.783841  25.23398       1.783794  25.23398       1.783794  25.23398       1.783794  -0.000000      0.000000  
1 1 1 -4  0  18 o 108.0289 2.355910  116.8777       5.084738  116.8777       5.084738  116.8777       5.084738  -0.000000      0.000000  
1 1 1 -4  0  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  0  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  0  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  0  22 o 116.4118 2.515491  135.7233       5.850569  135.7233       5.850569  135.7233       5.850569  -0.000000      0.000000  
1 1 1 -4  0  23 f 9.433502 1.781389  0.9826637      0.2878431 1.510885       0.4863405 0.6978709      0.3571059 -0.000000      0.000000  
1 1 1 -4  0  24 o 119.6305 1.827094  143.2343       4.364420  146.2501       6.303555  140.4574       6.048770  -0.000000      0.000000  
1 1 1 -4  0  25 o 511.0643 7.524833  2621.699       76.77773  2683.983       111.2801  2565.114       106.0675  -0.000000      0.000000  
1 1 1 -4  0  26 o 122.7952 1.869154  151.0204       4.585437  149.9556       6.441063  152.1147       6.529414  -0.000000      0.000000  
1 1 1 -4  0  27 o 135.0624 2.044555  182.7129       5.516803  184.1075       7.860015  181.3588       7.745130  -0.000000      0.000000  
1 1 1 -4  0  28 o 25.64238 0.8236395 6.601871       0.4200188 7.043815       0.6095821 6.202403       0.5795478 -0.000000      0.000000  
1 1 1 -4  0  29 o 261.6938 3.869532  686.8680       20.23269  684.8558       28.53072  688.9036       28.69671  -0.000000      0.000000  
1 1 1 -4  0  30 o 171.7777 2.569116  295.6343       8.816211  298.6577       12.60037  292.7346       12.33973  -0.000000      0.000000  
1 1 1 -4  0  31 o 53.50740 0.9905820 28.68418       1.058265  28.27775       1.479333  29.11016       1.514512  -0.000000      0.000000  
1 1 1 -4  0  32 o 133.8158 2.037232  179.4047       5.446389  179.8721       7.744709  178.9473       7.660693  -0.000000      0.000000  
1 1 1 -4  0  33 o 232.3371 3.446541  541.3829       15.99933  540.2968       22.56791  542.4805       22.68549  -0.000000      0.000000  
1 1 1 -4  0  34 o 213.8268 3.182165  458.4275       13.59309  453.3329       19.02063  463.7453       19.43307  -0.000000      0.000000  
1 1 1 -4  0  35 o 156.2262 2.351222  244.6191       7.339034  244.3745       10.37256  244.8643       10.38538  -0.000000      0.000000  
1 1 1 -4  0  36 o 42.03117 0.9240521 17.72306       0.7749184 17.58496       1.106228  17.85613       1.085856  -0.000000      0.000000  
1 1 1 -4  0  37 o 121.2412 1.863051  147.3175       4.512821  147.1786       6.381095  147.4565       6.383091  -0.000000      0.000000  
1 1 1 -4  0  38 o 144.9990 2.195430  210.7841       6.359620  212.2882       9.067189  209.3277       8.922283  -0.000000      0.000000  
1 1 1 -4  0  39 o 229.4572 3.416632  529.1347       15.66245  525.2542       21.97046  533.1449       22.33412  -0.000000      0.000000  
1 1 1 -4  0  40 o 116.3327 1.797755  135.6705       4.177560  137.0489       5.975690  134.3530       5.842486  -0.000000      0.000000  
1 1 1 -4  0  41 o 17.99949 1.135269  3.286741       0.4003289 3.629797       0.6060321 3.021156       0.5332307 -0.000000      0.000000  
1 1 1 -4  0  42 o 20.37064 1.023236  4.214746       0.4126062 4.176280       0.5856614 4.252652       0.5813886 -0.000000      0.000000  
1 1 1 -4  0  43 o 109.2855 1.707455  119.8262       3.727927  119.3716       5.262933  120.2840       5.281286  -0.000000      0.000000  
1 1 1 -4  0  44 o 62.55110 1.120972  39.21506       1.399977  38.35892       1.952251  40.12141       2.008689  -0.000000      0.000000  
1 1 1 -4  0  45 o 93.10582 3.028826  87.26131       5.626920  87.26131       5.626920  87.26131       5.626920  -0.000000      0.000000  
1 1 1 -4  0  46 o 186.2684 2.807082  349.6610       10.44654  351.1819       14.84140  348.1677       14.70678  -0.000000      0.000000  
1 1 1 -4  0  47 o 25.29294 1.049005  6.473652       0.5264911 6.245952       0.7473127 6.698040       0.7418591 -0.000000      0.000000  
1 1 1 -4  0  48 o 68.96181 1.211673  47.71695       1.668890  47.55006       2.358660  47.88427       2.361676  -0.000000      0.000000  
1 1 1 -4  0  49 o 115.6975 1.816383  134.4906       4.196006  137.1028       6.057826  132.0815       5.817563  -0.000000      0.000000  
1 1 1 -4  0  50 f 32.05370 1.020958  10.35268       0.6513856 10.29707       0.9332376 10.40551       0.9096134 -0.000000      0.000000  
1 1 1 -4  0  51 o 7.168726 2.339856  0.7102482      0.4076107 0.3354319      0.5670411 1.111013       0.5863405 -0.000000      0.000000  
1 1 1 -4  0  52 o 38.90086 1.030427  15.18478       0.7980807 15.92223       1.167756  14.53846       1.093238  -0.000000      0.000000  
1 1 1 -4  0  53 o 23.17503 1.194207  5.461588       0.5471513 5.770166       0.7899933 5.177092       0.7585421 -0.000000      0.000000  
1 1 1 -4  0  54 o 57.09895 1.130747  32.75902       1.288893  32.79218       1.837612  32.72691       1.808283  -0.000000      0.000000  
1 1 1 -4  0  55 o 35.58106 1.080377  12.76809       0.7652023 12.27999       1.085719  13.24983       1.078635  -0.000000      0.000000  
1 1 1 -4  0  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  0  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  0  58 o 56.11430 1.561164  32.24570       1.576700  30.84111       2.910210  32.82928       1.875865  -0.000000      0.000000  
1 1 1 -4  0  59 o 19.93419 2.681049  4.139663       0.8923118 5.156751       1.652357  3.720945       1.060194  -0.000000      0.000000  
1 1 1 -4  0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  1  1  o 341.5524 4.165977  1164.558       28.37538  1116.944       38.40930  1221.766       42.10215  -15.28622      8.331953  
1 1 1 -4  1  2  f 437.6550 4.971245  1905.074       42.67008  1997.524       68.01831  1845.081       54.79291  17.16553       9.942491  
1 1 1 -4  1  3  f 274.4797 2.861727  750.8280       15.65418  718.0906       21.10061  790.9036       23.34599  -13.23935      5.723453  
1 1 1 -4  1  4  o 335.4524 3.505762  1112.475       23.22350  1042.861       30.15547  1213.943       36.40661  -25.41666      7.011523  
1 1 1 -4  1  5  f 273.5109 2.853693  741.1577       15.47511  695.0245       20.34768  804.4518       23.83359  -19.96637      5.707387  
1 1 1 -4  1  6  o 284.7657 2.973835  810.7980       16.92134  831.3087       24.56973  792.2914       23.33850  6.836914       5.947670  
1 1 1 -4  1  7  o 163.9528 1.729863  268.3596       5.662344  260.4915       7.739118  277.4235       8.306480  -5.159958      3.459727  
1 1 1 -4  1  8  o 369.6091 4.493891  1360.076       33.02289  1448.229       50.04496  1292.089       43.94939  21.01950       8.987782  
1 1 1 -4  1  9  o 90.09770 0.9853622 78.57463       1.730337  92.70766       2.861239  70.42554       2.172658  12.36299       1.970724  
1 1 1 -4  1  10 o 155.7410 1.640676  242.6212       5.110402  242.5274       7.232083  242.7149       7.222326  -0.6024170E-01 3.281352  
1 1 1 -4  1  11 o 429.1287 4.471647  1806.083       37.68700  2048.194       60.55211  1652.995       48.14953  45.84592       8.943294  
1 1 1 -4  1  12 o 377.2377 3.930589  1404.898       29.29061  1550.799       45.92167  1304.828       38.03135  32.49838       7.861178  
1 1 1 -4  1  13 o 307.9994 3.204864  947.1773       19.70089  916.9725       26.84898  982.4094       28.99741  -10.60361      6.409727  
1 1 1 -4  1  14 o 537.0090 5.590554  2882.552       59.91710  2788.411       81.63316  2992.499       88.22090  -18.91895      11.18111  
1 1 1 -4  1  15 o 350.5616 4.437898  1246.214       29.95026  1169.051       48.75489  1292.982       37.95638  -17.76651      8.875795  
1 1 1 -4  1  16 o 449.0825 6.614604  1989.617       58.64373  1837.380       75.97379  2214.036       92.24323  -41.73978      13.22921  
1 1 1 -4  1  17 o 174.6873 3.674529  303.9766       12.78843  320.6838       19.11704  290.4445       17.20487  8.641998       7.349058  
1 1 1 -4  1  18 o 194.0345 2.875099  376.5179       11.15360  371.2887       15.53411  382.0823       16.02447  -2.778610      5.750198  
1 1 1 -4  1  19 o 461.2106 5.813918  2150.805       51.49239  2204.151       64.80989  2059.483       84.79667  15.91293       11.62784  
1 1 1 -4  1  20 o 307.7753 3.198450  945.9810       19.65439  978.1962       28.81992  917.9711       26.87311  9.770599       6.396901  
1 1 1 -4  1  21 o 227.2555 2.376612  512.0439       10.71754  552.2028       16.42730  482.2816       14.14193  15.37068       4.753225  
1 1 1 -4  1  22 o 143.2417 1.860289  205.4679       5.034318  205.9431       6.181476  204.5319       8.675738  0.5051270      3.720577  
1 1 1 -4  1  23 o 62.88512 1.074638  39.54902       1.351212  39.53188       1.888941  39.56697       1.933647  -0.2776337E-01 2.149275  
1 1 1 -4  1  24 o 70.65723 1.158887  49.92382       1.637522  50.46938       2.335469  49.39626       2.296630  0.7592163      2.317775  
1 1 1 -4  1  25 o 307.0779 4.529829  934.5265       27.53603  874.7905       36.01008  1018.639       42.73026  -23.29025      9.059658  
1 1 1 -4  1  26 o 202.1017 2.588552  411.1774       9.953530  401.1824       16.81631  416.5674       12.34909  -3.863510      5.177105  
1 1 1 -4  1  27 o 394.6322 4.102323  1561.524       32.37661  1552.570       45.51911  1570.692       46.06058  -2.283295      8.204646  
1 1 1 -4  1  28 o 249.6939 2.606411  624.2197       13.01485  619.5468       18.25531  629.0501       18.56002  -1.897568      5.212821  
1 1 1 -4  1  29 o 59.81224 0.7319545 35.52411       0.8714876 33.27902       1.165587  38.37024       1.312367  -4.255154      1.463909  
1 1 1 -4  1  30 o 141.7696 1.510250  200.1335       4.265200  191.0459       5.734210  211.3881       6.381361  -7.166718      3.020501  
1 1 1 -4  1  31 o 160.1538 1.695585  256.6364       5.430638  258.4940       7.739770  254.8351       7.621754  1.140701       3.391170  
1 1 1 -4  1  32 o 206.5726 2.167558  426.9986       8.950945  420.0869       12.43255  434.4368       12.89733  -3.464294      4.335115  
1 1 1 -4  1  33 o 22.69679 0.6568673 5.147344       0.2978891 5.476317       0.4277952 4.837677       0.4150513 1.406813       1.313735  
1 1 1 -4  1  34 o 143.7602 1.534028  206.7739       4.409876  209.0305       6.307486  204.6160       6.167871  1.533081       3.068056  
1 1 1 -4  1  35 o 60.95973 0.7673650 37.08118       0.9342478 38.78934       1.366376  35.58151       1.280275  2.630333       1.534730  
1 1 1 -4  1  36 o 223.9595 2.350184  502.4406       10.52283  495.3073       14.64056  510.0638       15.13481  -3.278442      4.700369  
1 1 1 -4  1  37 o 126.4308 1.365461  159.8851       3.451092  156.9875       4.792415  163.0062       4.973801  -2.376266      2.730922  
1 1 1 -4  1  38 o 150.0923 1.602258  225.3725       4.805919  230.7396       6.964952  220.4948       6.639886  3.402908       3.204516  
1 1 1 -4  1  39 o 73.27245 0.8680128 53.11756       1.262198  49.19309       1.663977  58.43555       1.937006  -6.301453      1.736026  
1 1 1 -4  1  40 o 111.3173 1.219953  124.0279       2.715457  125.5785       3.888986  122.5528       3.793276  1.355789       2.439907  
1 1 1 -4  1  41 o 64.99898 0.8017198 42.18119       1.040753  43.98772       1.522003  40.59461       1.426344  2.607586       1.603440  
1 1 1 -4  1  42 o 87.71216 0.9986939 76.87034       1.749527  74.41212       2.398915  79.66337       2.557060  -2.987556      1.997388  
1 1 1 -4  1  43 o 84.09018 0.9698508 70.67830       1.629113  73.08279       2.376055  68.54514       2.237969  2.692085       1.939702  
1 1 1 -4  1  44 o 92.61107 1.051213  85.89774       1.947077  85.75537       2.750752  86.04070       2.756422  -0.1537552     2.102427  
1 1 1 -4  1  45 o 37.40805 0.9687189 13.90405       0.7217194 12.39392       0.9752303 15.73251       1.073106  -4.457314      1.937438  
1 1 1 -4  1  46 o 11.32718 1.280453  1.332163       0.2726103 1.816575       0.3926010 0.8811471      0.3788263 4.278117       2.560906  
1 1 1 -4  1  47 o 38.56121 0.6821158 14.85149       0.5254028 14.26386       0.7212342 15.51595       0.7669333 -1.621334      1.364232  
1 1 1 -4  1  48 f 91.56355 1.048700  83.91700       1.918532  86.44373       2.789811  81.64989       2.642599  2.606468       2.097400  
1 1 1 -4  1  49 o 80.71724 0.9561051 65.28394       1.543295  65.94488       2.203482  64.64752       2.162201  0.8003159      1.912210  
1 1 1 -4  1  50 o 54.37068 0.7637019 29.23768       0.8247428 32.91434       1.259556  26.47820       1.091201  5.906361       1.527404  
1 1 1 -4  1  51 o 64.63142 0.8368563 41.82492       1.081127  40.88886       1.498437  42.84129       1.561393  -1.504883      1.673713  
1 1 1 -4  1  52 o 41.65357 0.7238493 17.35150       0.6024963 16.67801       0.8313836 18.09642       0.8743566 -1.699028      1.447699  
1 1 1 -4  1  53 o 28.17524 0.7718601 7.938015       0.4334949 7.069746       0.5988863 8.893599       0.6282780 -3.233717      1.543720  
1 1 1 -4  1  54 o 27.52819 1.108872  7.589425       0.6081021 8.594296       0.8855119 6.692608       0.8365479 3.446697       2.217744  
1 1 1 -4  1  55 o 48.45904 1.113061  23.40760       1.070415  25.11787       1.638985  22.13554       1.413510  3.040535       2.226121  
1 1 1 -4  1  56 o 36.89814 0.7748516 13.65205       0.5713251 12.91953       0.8030121 14.40297       0.8130325 -2.008957      1.549703  
1 1 1 -4  1  57 o 18.87376 1.074119  3.606075       0.4026475 3.306290       0.5885483 3.869841       0.5520606 -1.499807      2.148239  
1 1 1 -4  1  58 o 46.28833 1.028179  21.51315       0.9342926 21.39325       1.209194  21.69077       1.471736  -0.2728729     2.056359  
1 1 1 -4  1  59 o 35.73919 1.622921  13.85925       1.012308  15.03192       1.203926  11.02948       1.870195  5.800705       3.245842  
1 1 1 -4  1  60 o 14.21761 3.361538  2.172694       0.9419870 2.172694       0.9419870 ?              ?         ?              ?         
1 1 1 -4  1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  2  1  o 215.6012 2.265672  463.4875       9.732524  447.8161       13.11398  482.7023       14.52106  -8.078323      4.531344  
1 1 1 -4  2  2  o 233.5414 2.441890  545.7670       11.40544  545.4655       16.17547  546.0651       16.08437  -0.1291962     4.883779  
1 1 1 -4  2  3  o 187.5728 1.966659  351.8338       7.375237  346.7334       10.26811  357.2693       10.60013  -2.806000      3.933319  
1 1 1 -4  2  4  o 256.7801 2.686620  658.0355       13.76931  632.7383       18.76076  687.5737       20.27248  -10.66209      5.373240  
1 1 1 -4  2  5  o 376.0760 4.269839  1415.961       31.73133  1424.384       48.86290  1409.818       41.72698  1.821747       8.539678  
1 1 1 -4  2  6  o 264.3215 2.769423  698.3760       14.62476  716.8231       21.27719  681.8562       20.13509  6.602539       5.538846  
1 1 1 -4  2  7  o 90.79408 0.9898462 82.15927       1.792380  86.08208       2.657348  78.88493       2.427795  3.962601       1.979692  
1 1 1 -4  2  8  o 151.7719 1.599764  227.0267       4.795628  210.4234       6.223116  251.3028       7.524908  -13.45955      3.199527  
1 1 1 -4  2  9  o 342.9439 3.568416  1174.274       24.41054  1133.764       33.12047  1222.447       36.11731  -12.88977      7.136832  
1 1 1 -4  2  10 o 197.5643 2.070373  387.4083       8.126137  365.5532       10.77351  416.2522       12.37677  -12.81876      4.140745  
1 1 1 -4  2  11 o 68.33995 0.9412457 47.56451       1.256866  41.98611       1.928909  51.68050       1.656893  -7.093643      1.882491  
1 1 1 -4  2  12 o 127.1487 1.913915  160.5606       4.837378  171.8415       7.342001  151.9069       6.430439  7.833611       3.827829  
1 1 1 -4  2  13 o 404.8605 5.951436  1628.385       47.80376  1532.919       63.02814  1757.677       73.34903  -27.59869      11.90287  
1 1 1 -4  2  14 o 336.1575 4.943763  1131.641       33.23647  1128.329       46.77749  1135.018       47.23275  -0.9901428     9.887526  
1 1 1 -4  2  15 o 640.9819 8.181429  4110.260       98.34773  4086.406       119.6687  4159.893       172.6222  -4.938171      16.36286  
1 1 1 -4  2  16 o 336.6663 4.325541  1114.968       26.74310  1086.395       31.81670  1183.748       49.36386  -14.32141      8.651081  
1 1 1 -4  2  17 f 401.7031 4.168227  1615.148       33.48742  1610.486       47.22165  1619.865       47.49625  -1.165222      8.336454  
1 1 1 -4  2  18 o 469.1898 4.881773  2203.534       45.79801  2171.432       63.90265  2237.437       65.66983  -7.016876      9.763545  
1 1 1 -4  2  19 o 76.27975 0.8665174 57.33991       1.307619  63.83966       2.038983  52.79921       1.704222  7.236221       1.733035  
1 1 1 -4  2  20 o 334.2614 3.478866  1117.609       23.24761  1100.289       32.33086  1136.151       33.45198  -5.355743      6.957732  
1 1 1 -4  2  21 o 213.8429 2.237482  456.0652       9.544260  475.6923       14.12222  439.5633       12.94918  8.441010       4.474964  
1 1 1 -4  2  22 o 376.9044 3.912239  1422.239       29.48969  1415.812       41.49091  1428.800       41.92188  -1.718262      7.824479  
1 1 1 -4  2  23 o 304.4385 3.170966  925.3168       19.26584  962.0782       28.38155  893.9017       26.23670  11.17523       6.341932  
1 1 1 -4  2  24 o 29.09126 0.5588925 8.323292       0.3222407 10.02338       0.4907955 7.035096       0.4272238 5.135925       1.117785  
1 1 1 -4  2  25 o 115.0947 1.532168  131.6777       3.293866  130.2159       3.987379  134.8186       5.844718  -1.987022      3.064337  
1 1 1 -4  2  26 o 220.9706 3.271755  486.8940       14.40469  465.9086       19.39071  512.7353       21.51749  -10.55989      6.543511  
1 1 1 -4  2  27 o 102.7476 1.594898  105.2959       3.268679  109.7910       4.838126  101.5211       4.433547  4.020584       3.189796  
1 1 1 -4  2  28 o 110.2820 1.697716  121.6885       3.744381  121.4478       5.268052  121.9344       5.323087  -0.2199554     3.395432  
1 1 1 -4  2  29 o 41.54093 0.7453542 16.69626       0.5702741 18.69287       1.059443  15.88176       0.6766682 3.381260       1.490708  
1 1 1 -4  2  30 o 211.5809 2.217219  448.0966       9.381417  444.6325       13.15281  451.6840       13.38488  -1.662338      4.434438  
1 1 1 -4  2  31 o 73.87682 0.8602997 54.52998       1.270183  56.01862       1.839871  53.17442       1.755703  1.924355       1.720599  
1 1 1 -4  2  32 o 196.0669 2.059868  384.7995       8.076735  381.9550       11.33283  387.7356       11.51377  -1.470749      4.119736  
1 1 1 -4  2  33 o 204.1516 2.143567  417.0650       8.747816  410.0674       12.14243  424.6162       12.61357  -3.553329      4.287134  
1 1 1 -4  2  34 o 217.9477 2.286424  475.7477       9.965974  473.2292       14.01499  478.3238       14.17439  -1.164795      4.572849  
1 1 1 -4  2  35 o 292.3752 3.051509  857.4083       17.84200  864.0869       25.44376  850.9473       25.02624  2.231934       6.103019  
1 1 1 -4  2  36 o 221.1386 2.319794  489.8349       10.25564  482.2041       14.25906  498.0126       14.76130  -3.557861      4.639589  
1 1 1 -4  2  37 o 112.1986 1.226586  125.9705       2.752407  126.3991       3.900870  125.5455       3.884167  0.3800507      2.453173  
1 1 1 -4  2  38 f 89.77069 1.014806  80.60852       1.821573  81.75359       2.610417  79.52177       2.543090  1.241722       2.029612  
1 1 1 -4  2  39 o 88.97058 1.008220  79.20915       1.793985  79.00208       2.526085  79.41986       2.548217  -0.2342606     2.016439  
1 1 1 -4  2  40 o 94.27124 1.058496  88.29471       1.984467  94.94294       3.005360  83.15514       2.642456  6.241074       2.116992  
1 1 1 -4  2  41 o 77.33481 0.9062427 59.84721       1.401536  59.46634       1.965489  60.24121       1.999079  -0.4999619     1.812485  
1 1 1 -4  2  42 o 70.67812 0.8537440 49.44695       1.198016  54.46190       1.834309  45.71651       1.582044  6.178497       1.707488  
1 1 1 -4  2  43 o 40.06217 0.6604075 16.03401       0.5287387 16.82281       0.7649333 15.31232       0.7316740 1.884190       1.320815  
1 1 1 -4  2  44 f 80.80569 0.9451342 65.29506       1.525946  63.64464       2.102635  67.13158       2.218013  -2.152267      1.890268  
1 1 1 -4  2  45 o 86.27466 1.411354  74.57988       2.433591  72.61668       3.365882  76.73028       3.522707  -2.372078      2.822707  
1 1 1 -4  2  46 f 117.4189 1.289179  137.7670       3.018893  132.1577       4.088317  144.4928       4.476799  -5.222931      2.578357  
1 1 1 -4  2  47 o 67.00505 0.8379362 44.95478       1.122809  44.65613       1.574903  45.26350       1.601207  -0.4516830     1.675872  
1 1 1 -4  2  48 o 57.72543 0.7696837 33.33730       0.8881738 32.54008       1.232741  34.19785       1.280770  -1.433159      1.539367  
1 1 1 -4  2  49 o 59.95636 0.7925805 35.69231       0.9453819 33.11468       1.260215  39.00995       1.429713  -4.904892      1.585161  
1 1 1 -4  2  50 o 61.51424 0.8079869 37.90410       0.9939901 38.28900       1.415548  37.52972       1.396083  0.6156197      1.615974  
1 1 1 -4  2  51 o 24.67589 0.9861869 6.455957       0.4496889 5.096216       0.7538573 7.207067       0.5602900 -4.296431      1.972374  
1 1 1 -4  2  52 f 24.61657 1.257701  6.081792       0.6150392 6.173144       0.9281407 6.010272       0.8212318 0.3151360      2.515401  
1 1 1 -4  2  53 o 41.17044 0.9760948 17.06156       0.7951782 17.38901       1.056291  16.63328       1.208025  0.9369011      1.952190  
1 1 1 -4  2  54 f 31.00986 0.7844880 9.649049       0.4858340 9.417850       0.7010955 9.862636       0.6738597 -0.7200832     1.568976  
1 1 1 -4  2  55 o 26.95019 0.8235357 7.260083       0.4426889 7.588259       0.6555638 6.984994       0.6002060 1.112556       1.647071  
1 1 1 -4  2  56 o 20.30733 0.9912397 4.156522       0.4006177 3.692672       0.5675028 4.617300       0.5656198 -2.276884      1.982479  
1 1 1 -4  2  57 o 11.87335 1.575358  1.460093       0.3634767 1.391775       0.5437958 1.515263       0.4886779 -0.7513943     3.150716  
1 1 1 -4  2  58 o 17.60834 1.223382  3.150701       0.4233292 2.970474       0.6522254 3.281892       0.5564681 -0.9053936     2.446764  
1 1 1 -4  2  59 o 18.71867 2.275894  3.702499       0.6920969 3.731771       0.7887492 3.604537       1.442929  0.9709530      4.551788  
1 1 1 -4  2  60 f 22.17805 1.962028  4.978236       0.8702790 4.978236       0.8702790 ?              ?         ?              ?         
1 1 1 -4  2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  3  1  f 307.7575 3.210082  947.5917       19.75045  928.1135       27.45562  968.4810       28.43273  -6.546448      6.420165  
1 1 1 -4  3  2  o 331.9335 3.477954  1096.555       22.96116  1044.030       30.61833  1164.054       34.70897  -18.02579      6.955908  
1 1 1 -4  3  3  o 263.7521 2.769289  684.1604       14.39030  764.4390       22.82457  631.1971       18.53917  25.21405       5.538577  
1 1 1 -4  3  4  o 378.3963 3.976428  1420.018       29.81609  1336.441       39.14346  1535.533       46.01855  -26.20422      7.952855  
1 1 1 -4  3  5  o 285.7039 3.233853  813.5616       18.19243  797.2254       23.62197  837.3761       28.52086  -6.967163      6.467705  
1 1 1 -4  3  6  o 293.4055 3.055421  855.1450       17.81306  917.3467       27.10209  807.8390       23.63523  18.62170       6.110841  
1 1 1 -4  3  7  f 62.52105 0.7243274 37.33191       0.8762410 46.10556       1.485981  32.65497       1.084936  10.75576       1.448655  
1 1 1 -4  3  8  o 232.4029 2.963391  541.5656       13.03226  537.6572       22.36865  543.5739       16.03478  -1.341995      5.926783  
1 1 1 -4  3  9  o 188.9880 2.798594  357.3400       10.57505  362.1332       15.17179  352.8109       14.74797  2.462006       5.597189  
1 1 1 -4  3  10 o 335.0707 4.970399  1124.751       33.29741  1092.483       46.39191  1159.037       47.81984  -9.906158      9.940798  
1 1 1 -4  3  11 o 177.2552 2.632217  307.5188       9.155837  349.1944       14.75495  281.4234       11.67560  19.09038       5.264433  
1 1 1 -4  3  12 o 573.3378 7.453146  3174.099       76.38860  3028.452       88.85303  3586.735       149.5564  -47.45245      14.90629  
1 1 1 -4  3  13 o 104.8675 1.136348  109.0922       2.366896  117.2823       3.609591  102.9144       3.134958  6.849297       2.272696  
1 1 1 -4  3  14 o 30.03937 0.4903715 8.946627       0.2933416 9.976461       0.4394352 8.118850       0.3939736 3.091919       0.9807430 
1 1 1 -4  3  15 o 231.2608 2.417513  534.3311       11.17062  521.2178       15.39427  548.9148       16.23448  -5.984543      4.835026  
1 1 1 -4  3  16 o 448.5350 6.607404  1999.281       58.87160  1878.250       77.98634  2159.632       89.76460  -31.22141      13.21481  
1 1 1 -4  3  17 o 663.6353 6.906880  4411.989       91.61446  4317.989       126.8525  4514.473       132.4538  -14.72827      13.81376  
1 1 1 -4  3  18 f 196.1773 2.054461  384.0351       8.044312  398.5519       11.83716  371.5774       10.96552  6.871506       4.108922  
1 1 1 -4  3  19 o 504.6352 5.243755  2550.633       52.92270  2557.981       75.11264  2543.390       74.57821  1.439911       10.48751  
1 1 1 -4  3  20 o 67.21049 0.7822955 44.63709       1.042717  49.23803       1.606190  41.28560       1.370860  5.915642       1.564591  
1 1 1 -4  3  21 o 241.7481 2.521237  582.4778       12.15009  610.8917       18.07896  559.0736       16.40796  10.70639       5.042474  
1 1 1 -4  3  22 o 90.22627 0.9981045 81.04108       1.794782  85.70947       2.677149  77.23003       2.418867  4.698227       1.996209  
1 1 1 -4  3  23 o 463.5392 4.819238  2151.566       44.64815  2203.157       64.58836  2104.352       61.78868  10.61197       9.638476  
1 1 1 -4  3  24 o 300.9141 3.131950  906.3021       18.84534  915.8237       26.96749  897.2142       26.34605  3.084412       6.263899  
1 1 1 -4  3  25 o 109.3715 1.202583  119.3431       2.625622  115.0174       3.582672  124.3622       3.859096  -4.270508      2.405166  
1 1 1 -4  3  26 o 213.1308 2.230494  454.5728       9.507455  452.5811       13.38343  456.6020       13.50859  -0.9417877     4.460988  
1 1 1 -4  3  27 o 175.9467 1.854312  307.9716       6.493794  327.2815       9.775392  292.7197       8.687745  9.809158       3.708625  
1 1 1 -4  3  28 o 142.6508 1.519786  203.2893       4.330870  209.5175       6.311934  197.7487       5.953333  4.121048       3.039572  
1 1 1 -4  3  29 o 219.1830 2.824211  478.7098       11.57421  474.0976       14.03012  488.5356       20.47808  -3.148621      5.648422  
1 1 1 -4  3  30 o 29.41218 0.8339005 8.639426       0.4901608 9.090524       0.7081305 8.224483       0.6791608 1.472061       1.667801  
1 1 1 -4  3  31 o 182.5663 2.720464  333.8953       9.933249  334.6292       14.07551  333.1671       14.02013  0.3991241      5.440929  
1 1 1 -4  3  32 o 246.8013 3.654730  611.0524       18.03564  618.5975       25.84227  603.8873       25.18300  2.958084       7.309460  
1 1 1 -4  3  33 o 75.56497 1.075501  57.59730       1.546605  55.54420       2.603775  58.71657       1.922501  -2.106354      2.151001  
1 1 1 -4  3  34 o 187.1395 1.972414  350.1655       7.374022  360.1005       10.73818  341.2993       10.14405  5.010391       3.944828  
1 1 1 -4  3  35 o 142.2254 1.520003  202.4395       4.323613  202.9432       6.131829  201.9415       6.097341  0.3515015      3.040006  
1 1 1 -4  3  36 o 93.21882 1.044930  86.33027       1.937826  92.64809       2.928292  81.40789       2.584747  6.023636       2.089859  
1 1 1 -4  3  37 o 176.5855 1.867231  311.6895       6.583169  322.8051       9.655573  302.0340       8.999072  5.861038       3.734462  
1 1 1 -4  3  38 o 61.34875 0.7736793 37.36572       0.9446104 34.93066       1.261746  40.47094       1.424834  -4.512798      1.547359  
1 1 1 -4  3  39 o 219.3426 2.306129  482.6854       10.11368  489.5248       14.51535  476.2322       14.09951  3.006973       4.612258  
1 1 1 -4  3  40 f 38.93121 0.6454614 15.10581       0.5015886 14.25172       0.6839253 16.09988       0.7378463 -2.372581      1.290923  
1 1 1 -4  3  41 o 87.64708 1.000843  76.23095       1.743125  71.41695       2.311892  82.57309       2.653581  -6.352684      2.001686  
1 1 1 -4  3  42 o 54.28485 0.7294576 29.48543       0.7919457 29.38540       1.114901  29.58731       1.125129  -0.1856766     1.458915  
1 1 1 -4  3  43 f 98.61232 1.105743  97.12291       2.176236  101.4703       3.205674  93.40670       2.963856  4.076370       2.211486  
1 1 1 -4  3  44 o 91.15839 1.203527  83.02261       2.189393  86.83756       3.228692  79.77511       2.978909  3.858688       2.407054  
1 1 1 -4  3  45 o 74.79944 1.269975  55.86626       1.894890  53.16792       2.568777  59.08722       2.806537  -3.940361      2.539951  
1 1 1 -4  3  46 o 76.24650 0.9125063 57.97851       1.387613  61.34742       2.058395  55.17225       1.878660  4.039459       1.825013  
1 1 1 -4  3  47 f 55.75811 0.7530736 31.07084       0.8388222 30.06053       1.152854  32.20742       1.222780  -1.921490      1.506147  
1 1 1 -4  3  48 o 128.3644 1.518372  164.8931       3.834591  169.4619       6.025120  161.7826       4.971393  2.868782       3.036743  
1 1 1 -4  3  49 o 16.71788 1.544385  2.814103       0.5102027 2.791573       0.7827212 2.830747       0.6727682 -0.1317577     3.088770  
1 1 1 -4  3  50 o 26.54758 1.130952  6.888196       0.5916674 8.213157       0.9399642 6.018726       0.7614424 4.112753       2.261903  
1 1 1 -4  3  51 o 24.70223 1.023648  6.287018       0.4816794 6.736824       0.6088775 5.534683       0.7874512 2.452333       2.047295  
1 1 1 -4  3  52 o 58.82281 0.8060769 34.43385       0.9445945 31.97601       1.269099  37.48671       1.414398  -4.670269      1.612154  
1 1 1 -4  3  53 o 38.86443 0.7421051 14.88838       0.5718889 17.18238       0.8810457 13.21809       0.7517918 5.087570       1.484210  
1 1 1 -4  3  54 f 31.95271 0.7705625 10.13521       0.4900056 11.31958       0.7381018 9.201887       0.6552228 3.305012       1.541125  
1 1 1 -4  3  55 o 18.49244 1.003738  3.415285       0.3701423 3.688426       0.5496388 3.188620       0.5006980 1.344187       2.007476  
1 1 1 -4  3  56 o 21.91955 0.9425943 4.799225       0.4121245 5.270665       0.6077324 4.397844       0.5607614 1.983732       1.885189  
1 1 1 -4  3  57 o 41.67212 0.7799526 17.34675       0.6483878 18.40927       0.9598161 16.45488       0.8793731 2.333897       1.559905  
1 1 1 -4  3  58 o 34.88969 0.9564389 12.44185       0.6421821 11.40665       1.038669  13.08244       0.8170643 -2.439865      1.912878  
1 1 1 -4  3  59 o 20.13232 1.440590  4.128819       0.5715392 4.991673       0.8153647 3.295321       0.8013738 4.209045       2.881181  
1 1 1 -4  3  60 o 65.88853 1.626021  43.68805       1.947530  43.06390       2.307886  45.23180       3.629627  -1.174232      3.252043  
1 1 1 -4  3  61 o 25.83853 2.604178  6.821973       1.345763  6.821973       1.345763  ?              ?         ?              ?         
1 1 1 -4  3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  4  1  o 211.6004 2.211249  444.1519       9.288303  478.2281       14.20819  418.7208       12.27428  14.04520       4.422499  
1 1 1 -4  4  2  o 296.7854 3.099638  875.0019       18.26850  829.0269       24.19018  936.0277       27.86995  -17.98383      6.199275  
1 1 1 -4  4  3  o 260.9059 2.917023  683.1634       15.17661  713.5562       20.98755  649.8516       21.97224  12.21912       5.834046  
1 1 1 -4  4  4  o 302.7296 3.799264  931.0855       22.42813  852.7356       35.06305  985.3419       29.17803  -21.98447      7.598528  
1 1 1 -4  4  5  o 25.35737 0.6103197 5.919636       0.2967986 8.912026       0.5062571 4.352530       0.3663627 8.990156       1.220639  
1 1 1 -4  4  6  o 110.8286 2.070919  120.9186       4.231286  127.9325       7.750864  117.9410       5.050214  4.487068       4.141839  
1 1 1 -4  4  7  o 227.6379 3.356212  518.7491       15.27865  522.6136       21.78208  515.0063       21.43661  1.666611       6.712424  
1 1 1 -4  4  8  o 278.7067 4.108243  755.7641       22.31952  685.7018       28.06122  876.4202       36.82468  -34.08328      8.216487  
1 1 1 -4  4  9  o 142.6358 1.835361  204.9873       5.002357  208.6260       6.244888  198.4718       8.356462  3.572830       3.670721  
1 1 1 -4  4  10 o 374.6643 3.903095  1405.669       29.24697  1404.952       41.38615  1406.384       41.33682  -0.1916809     7.806190  
1 1 1 -4  4  11 o 399.1682 4.149027  1593.788       33.09458  1556.973       45.67575  1634.476       48.01763  -9.681244      8.298054  
1 1 1 -4  4  12 o 237.2000 2.472762  561.1541       11.69991  540.8058       15.87321  585.3602       17.31270  -9.383530      4.945523  
1 1 1 -4  4  13 o 393.1380 4.081882  1545.143       32.06133  1508.589       44.15215  1585.920       46.63261  -9.815125      8.163763  
1 1 1 -4  4  14 o 258.3189 2.690006  667.1270       13.89051  655.4462       19.27863  679.7375       20.03128  -4.698105      5.380011  
1 1 1 -4  4  15 o 256.5825 3.097518  652.7665       15.76608  703.3519       24.20085  615.4673       20.78103  17.10645       6.195035  
1 1 1 -4  4  16 f 439.0134 6.448718  1922.042       56.38128  1833.595       75.67937  2032.365       84.52178  -22.52844      12.89744  
1 1 1 -4  4  17 o 437.3554 4.547295  1914.891       39.77450  1899.072       55.99556  1931.000       56.50721  -3.645569      9.094590  
1 1 1 -4  4  18 f 677.8270 7.039492  4605.892       95.40711  4537.760       133.1216  4677.847       136.8059  -10.28101      14.07898  
1 1 1 -4  4  19 o 262.0367 2.736716  686.9395       14.34194  688.3324       20.37319  685.5713       20.19314  0.5257874      5.473432  
1 1 1 -4  4  20 o 244.0410 2.544614  595.0659       12.40615  580.5467       17.07287  611.3099       18.05847  -6.296677      5.089229  
1 1 1 -4  4  21 o 334.4920 3.474615  1119.058       23.22948  1142.260       33.58421  1097.776       32.16463  6.635834       6.949229  
1 1 1 -4  4  22 o 249.7326 2.605890  623.9321       13.01359  629.9775       18.59632  618.1302       18.21751  2.368912       5.211781  
1 1 1 -4  4  23 o 50.14274 0.7168892 23.81986       0.6846897 21.14502       0.8306394 29.48975       1.209348  -8.319981      1.433778  
1 1 1 -4  4  24 o 107.6390 1.170927  115.8736       2.520618  115.2156       3.543216  116.5479       3.586563  -0.6186447     2.341854  
1 1 1 -4  4  25 o 49.56570 0.6536464 24.52976       0.6473569 23.68666       0.8920832 25.46758       0.9408653 -1.796368      1.307293  
1 1 1 -4  4  26 o 379.5241 3.945088  1441.158       29.89407  1489.897       43.83076  1398.766       40.87683  11.94003       7.890177  
1 1 1 -4  4  27 o 196.4080 2.061918  385.5832       8.090690  376.3084       11.13527  395.9550       11.77548  -4.992706      4.123836  
1 1 1 -4  4  28 o 167.2334 1.769562  279.4136       5.909893  287.7391       8.640779  272.0959       8.101010  4.669632       3.539123  
1 1 1 -4  4  29 o 112.3160 1.218299  126.0712       2.734646  123.2660       3.780306  129.1506       3.960747  -2.617912      2.436598  
1 1 1 -4  4  30 o 171.3924 1.809119  293.7566       6.197629  288.2436       8.587543  299.7493       8.953444  -3.351303      3.618239  
1 1 1 -4  4  31 o 110.7187 1.205513  122.6079       2.669083  123.9199       3.813400  121.3479       3.737064  1.160683       2.411026  
1 1 1 -4  4  32 o 299.5299 3.842439  896.6012       21.53543  889.1753       26.13398  912.3121       38.01268  -3.439941      7.684879  
1 1 1 -4  4  33 o 80.98547 1.310550  65.21317       2.113239  69.79919       3.175866  61.56925       2.830931  5.076401       2.621100  
1 1 1 -4  4  34 o 185.5706 2.769457  345.1300       10.27648  341.5384       14.36080  348.8994       14.71183  -1.972336      5.538914  
1 1 1 -4  4  35 o 140.3332 2.124164  196.9175       5.953344  203.3213       8.702091  191.2834       8.162399  4.274323       4.248327  
1 1 1 -4  4  36 o 204.5209 2.653143  415.2172       10.06947  431.2369       18.14276  408.0858       12.10503  5.415817       5.306286  
1 1 1 -4  4  37 o 68.14168 0.8273628 45.81897       1.117472  42.00000       1.465682  51.12085       1.726955  -6.688820      1.654726  
1 1 1 -4  4  38 o 173.4257 1.837169  300.5933       6.358065  312.7791       9.373665  290.2096       8.652852  6.478195       3.674339  
1 1 1 -4  4  39 o 131.6908 1.420265  173.6583       3.740382  172.4518       5.248001  174.9038       5.332405  -0.9279327     2.840530  
1 1 1 -4  4  40 o 105.6303 1.166808  111.3158       2.458102  106.7393       3.329524  116.7986       3.644331  -4.750092      2.333616  
1 1 1 -4  4  41 o 56.52899 0.7405077 31.97227       0.8371996 31.94284       1.182049  32.00188       1.185919  -0.5212784E-01 1.481015  
1 1 1 -4  4  42 o 164.3711 1.750903  270.9895       5.752660  266.0426       7.975492  276.3542       8.305521  -3.112137      3.501805  
1 1 1 -4  4  43 o 53.54613 0.7271822 28.66372       0.7783492 29.58652       1.123012  27.81061       1.079765  1.656849       1.454364  
1 1 1 -4  4  44 o 66.78535 1.170594  44.43018       1.558341  47.93768       2.322860  41.55960       2.101399  4.761734       2.341187  
1 1 1 -4  4  45 o 29.27730 1.028342  8.531178       0.6000696 9.271459       0.8949008 7.926403       0.8088605 2.292213       2.056684  
1 1 1 -4  4  46 f 59.80600 0.9767556 36.26712       1.102906  34.47692       1.879877  37.20673       1.361930  -2.313927      1.953511  
1 1 1 -4  4  47 o 114.5840 1.803449  131.6338       4.119364  138.1508       6.129751  126.2667       5.562755  5.114120       3.606897  
1 1 1 -4  4  48 o 64.24997 1.185244  41.40787       1.522262  41.51614       2.189319  41.30654       2.118055  0.1563797      2.370487  
1 1 1 -4  4  49 f 81.09743 0.9663340 65.60359       1.562012  69.66823       2.328717  62.27904       2.106063  4.536697       1.932668  
1 1 1 -4  4  50 o 22.04278 0.8368740 4.870506       0.3680975 4.841775       0.5382486 4.895749       0.5045236 -0.1253262     1.673748  
1 1 1 -4  4  51 o 98.40013 1.123323  96.98783       2.207212  93.58764       3.020162  100.8859       3.233707  -3.682312      2.246645  
1 1 1 -4  4  52 o 18.45428 0.9562418 3.378421       0.3509730 3.835872       0.5299131 3.020929       0.4684514 2.200903       1.912484  
1 1 1 -4  4  53 o 47.94810 0.7602690 23.00821       0.7282046 23.66727       1.061212  22.42171       1.001090  1.292778       1.520538  
1 1 1 -4  4  54 o 35.12153 0.7508109 12.22528       0.5244147 13.81440       0.7932407 10.99151       0.6989454 4.008877       1.501622  
1 1 1 -4  4  55 o 52.17954 0.7921829 27.07166       0.8224576 29.52213       1.242651  25.16144       1.097151  4.161583       1.584366  
1 1 1 -4  4  56 o 37.15504 0.7765012 13.63616       0.5726182 15.76758       0.8760952 12.04655       0.7565930 4.991829       1.553002  
1 1 1 -4  4  57 o 17.15807 1.129175  2.970141       0.3850703 2.891392       0.5733351 3.034856       0.5197439 -0.4287109     2.258350  
1 1 1 -4  4  58 f 31.06388 1.048729  9.446114       0.6406018 11.15215       1.027319  8.360699       0.8194246 4.452126       2.097458  
1 1 1 -4  4  59 o 46.53661 1.124639  21.74034       1.044230  20.83218       1.418474  22.81479       1.542888  -2.102070      2.249279  
1 1 1 -4  4  60 o 26.74214 1.856585  7.930903       0.8342633 8.601761       0.9752779 6.101100       1.610702  4.917370       3.713171  
1 1 1 -4  4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  4  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  5  1  o 127.9498 1.662366  163.7350       4.012357  163.8315       6.944654  163.6866       4.915866  0.4422760E-01  3.324733  
1 1 1 -4  5  2  o 248.5097 3.659528  616.7550       18.14585  641.9449       26.78161  595.3769       24.67221  9.340744       7.319057  
1 1 1 -4  5  3  o 241.5069 3.564111  584.0117       17.21466  586.9210       24.45777  581.1553       24.23418  1.190735       7.128222  
1 1 1 -4  5  4  o 262.7314 3.870393  686.9291       20.22706  732.2982       30.57113  651.6039       26.97580  15.30527       7.740786  
1 1 1 -4  5  5  o 97.55887 1.279687  96.45522       2.421955  100.8389       3.111006  89.71045       3.858889  5.706947       2.559375  
1 1 1 -4  5  6  o 241.1140 2.515210  581.3235       12.12140  592.7244       17.51675  570.8481       16.79079  4.529938       5.030420  
1 1 1 -4  5  7  o 226.7354 2.367479  512.3680       10.69870  491.8150       14.43261  537.4382       15.93992  -10.04843      4.734959  
1 1 1 -4  5  8  f 443.8061 4.656366  1963.800       41.15392  1874.468       55.23401  2075.281       61.70261  -22.52533      9.312733  
1 1 1 -4  5  9  f 230.6623 2.412337  532.2983       11.12832  531.0933       15.66573  533.5256       15.81093  -0.5262146     4.824673  
1 1 1 -4  5  10 o 353.8575 3.707928  1240.395       26.01588  1349.434       40.06526  1160.903       34.20889  26.58414       7.415856  
1 1 1 -4  5  11 o 191.9415 2.018623  362.2039       7.636086  404.5457       12.09646  334.1525       9.845819  18.32721       4.037246  
1 1 1 -4  5  12 o 459.8742 4.791195  2086.773       43.49652  2303.176       68.37106  1939.640       56.37638  39.41449       9.582390  
1 1 1 -4  5  13 o 442.3011 4.606173  1932.925       40.26604  2119.729       62.94991  1803.566       52.38441  35.65170       9.212345  
1 1 1 -4  5  14 o 453.7070 4.707380  2060.845       42.71479  2054.150       60.20960  2067.629       60.60802  -1.481934      9.414760  
1 1 1 -4  5  15 o 121.9409 1.306878  148.7088       3.187197  148.8745       4.519784  148.5448       4.495073  0.1351242      2.613756  
1 1 1 -4  5  16 o 207.0779 2.178004  426.8660       8.981837  450.2872       13.46375  408.0838       12.05685  10.18419       4.356009  
1 1 1 -4  5  17 o 503.3452 5.237840  2506.631       52.18659  2336.675       68.20383  2746.665       81.05465  -40.59116      10.47568  
1 1 1 -4  5  18 o 403.4713 4.188028  1629.615       33.79484  1627.511       47.71361  1631.734       47.87304  -0.5219727     8.376056  
1 1 1 -4  5  19 o 149.8269 1.587365  223.8692       4.745429  215.6206       6.450770  233.5979       7.005611  -5.997284      3.174730  
1 1 1 -4  5  20 o 183.4481 1.926034  336.2667       7.060197  328.6465       9.740353  344.7024       10.24825  -4.373535      3.852067  
1 1 1 -4  5  21 o 174.0982 1.831966  302.8752       6.373300  296.1300       8.796330  310.3292       9.246958  -4.075455      3.663931  
1 1 1 -4  5  22 o 119.5546 1.292812  142.7468       3.087943  138.6604       4.249712  147.3177       4.494592  -3.619560      2.585624  
1 1 1 -4  5  23 o 183.8030 1.932985  335.5315       7.062396  317.2853       9.387360  359.3273       10.72032  -11.42633      3.865970  
1 1 1 -4  5  24 o 203.3575 2.130652  413.5732       8.661698  420.6182       12.47750  407.0203       12.03354  3.338928       4.261304  
1 1 1 -4  5  25 o 183.9593 1.940675  337.6284       7.121092  351.3300       10.53705  326.1096       9.661326  6.845810       3.881351  
1 1 1 -4  5  26 o 150.0263 1.593702  225.1435       4.781159  226.9797       6.834490  223.3837       6.690954  1.197021       3.187404  
1 1 1 -4  5  27 o 153.9153 1.631429  237.0281       5.022032  236.8399       7.096625  237.2168       7.107841  -0.1222992     3.262858  
1 1 1 -4  5  28 o 138.2939 1.481156  190.8654       4.088282  184.2813       5.571251  198.5477       6.017961  -5.152649      2.962312  
1 1 1 -4  5  29 o 278.2737 2.901050  775.7766       16.14533  772.8308       22.73830  778.7718       22.92877  -1.063171      5.802100  
1 1 1 -4  5  30 o 118.2790 1.278881  139.7507       3.021781  136.0055       4.154699  143.9570       4.402988  -3.358711      2.557761  
1 1 1 -4  5  31 o 71.14900 0.8391025 50.58492       1.193212  49.45329       1.650963  51.82245       1.726482  -1.664360      1.678205  
1 1 1 -4  5  32 o 171.5844 1.813473  292.8635       6.191032  277.9939       8.266848  311.8540       9.342356  -9.847778      3.626946  
1 1 1 -4  5  33 o 215.5788 2.261949  465.3857       9.750978  469.7874       13.94001  461.1687       13.64466  1.991745       4.523897  
1 1 1 -4  5  34 o 99.28690 1.101162  97.96812       2.175504  104.8564       3.282485  92.57230       2.905201  6.181282       2.202325  
1 1 1 -4  5  35 f 160.4266 1.703955  257.6095       5.466311  255.0384       7.648583  260.2938       7.815172  -1.634018      3.407910  
1 1 1 -4  5  36 o 90.97658 1.271450  80.90958       2.116856  78.22578       2.507706  87.56312       3.948461  -5.102760      2.542900  
1 1 1 -4  5  37 o 113.4910 1.753970  128.7476       3.974729  133.4745       5.824636  124.6282       5.437539  3.884583       3.507941  
1 1 1 -4  5  38 o 122.0315 1.873272  149.2092       4.570753  147.4106       6.376985  151.1095       6.554721  -1.507965      3.746544  
1 1 1 -4  5  39 o 193.5969 2.629997  378.6866       10.09249  361.0975       15.11741  392.8295       13.55581  -8.307205      5.259995  
1 1 1 -4  5  40 o 105.7707 1.173190  112.0075       2.481665  111.0021       3.489036  113.0371       3.530542  -0.9604034     2.346380  
1 1 1 -4  5  41 o 103.6407 1.151440  107.5038       2.385651  109.3446       3.435897  105.7902       3.314991  1.709732       2.302879  
1 1 1 -4  5  42 o 36.76315 0.6606001 13.52484       0.4856359 13.34092       0.6897427 13.70566       0.6838807 -0.4962425     1.321200  
1 1 1 -4  5  43 o 81.40111 0.9530882 66.34261       1.551628  66.29087       2.199551  66.39384       2.189153  -0.6372070E-01 1.906176  
1 1 1 -4  5  44 o 133.2961 2.053617  178.7993       5.474694  178.9184       7.765957  178.6816       7.719029  0.8370972E-01  4.107234  
1 1 1 -4  5  45 o 139.4736 2.143884  195.8989       5.978933  193.0647       8.347349  198.8848       8.567941  -2.059586      4.287769  
1 1 1 -4  5  46 f 100.1066 1.380046  100.9663       2.623920  101.8343       3.245810  99.32899       4.457670  1.362892       2.760093  
1 1 1 -4  5  47 o 30.74585 0.7098846 9.463052       0.4364258 9.210563       0.6156864 9.718039       0.6187235 -0.8251247     1.419769  
1 1 1 -4  5  48 o 84.37639 0.9911031 71.10557       1.667981  74.63625       2.471173  68.15091       2.260625  3.825920       1.982206  
1 1 1 -4  5  49 o 45.90005 0.7282196 21.09658       0.6684102 21.13562       0.9538026 21.05889       0.9369715 0.8245468E-01  1.456439  
1 1 1 -4  5  50 o 39.44625 0.7269374 15.55943       0.5726900 14.43772       0.7941687 16.77468       0.8266176 -2.959740      1.453875  
1 1 1 -4  5  51 o 36.17080 0.7321904 13.10615       0.5295784 12.78209       0.7473648 13.43296       0.7505191 -0.8994598     1.464381  
1 1 1 -4  5  52 o 60.95641 0.8209005 37.06961       0.9976174 39.39523       1.484588  35.15480       1.347100  3.464237       1.641801  
1 1 1 -4  5  53 o 29.83131 0.7690297 8.831802       0.4565703 9.964319       0.6861493 7.931914       0.6116321 3.398760       1.538059  
1 1 1 -4  5  54 o 49.14039 0.7672382 24.15185       0.7528503 25.11782       1.103077  23.30955       1.030053  1.831890       1.534476  
1 1 1 -4  5  55 o 9.529050 1.760697  0.9606752      0.3400667 0.8431043      0.5070288 1.056809       0.4584813 -0.9930630     3.521393  
1 1 1 -4  5  56 o 7.983809 1.697530  0.6094190      0.3294127 0.1234114      0.4814275 1.037280       0.4517110 -3.881808      3.395060  
1 1 1 -4  5  57 f 31.87638 0.8277152 10.23542       0.5254176 9.267839       0.7500280 11.16782       0.7362683 -2.982237      1.655430  
1 1 1 -4  5  58 o 43.15438 0.9870690 18.67370       0.8390238 18.99645       1.310158  18.44931       1.092418  0.5926933      1.974138  
1 1 1 -4  5  59 o 26.87074 1.232277  7.139181       0.6482338 9.543920       0.9888123 5.326785       0.8584331 7.814499       2.464555  
1 1 1 -4  5  60 o 52.99233 1.516805  28.61628       1.461364  28.80713       1.740848  28.16086       2.689155  0.9187813      3.033611  
1 1 1 -4  5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  6  1  o 264.3586 3.890793  699.7899       20.56891  694.3527       28.82925  705.4274       29.35556  -2.087616      7.781586  
1 1 1 -4  6  2  o 280.7474 3.552326  798.3167       19.20978  825.1488       24.33522  753.9526       31.29124  12.76334       7.104653  
1 1 1 -4  6  3  o 155.2646 1.636707  240.0793       5.063933  252.9731       7.558180  229.5769       6.821336  7.530167       3.273413  
1 1 1 -4  6  4  o 107.7462 1.160355  115.2414       2.485645  123.7875       3.770507  108.6727       3.305651  7.012245       2.320711  
1 1 1 -4  6  5  o 390.2715 4.082170  1481.790       31.07648  1342.724       39.11489  1719.820       51.17372  -48.15347      8.164341  
1 1 1 -4  6  6  o 336.7455 3.503039  1101.061       22.97706  996.2856       28.84025  1283.133       38.01799  -42.49353      7.006078  
1 1 1 -4  6  7  o 113.3683 1.215675  128.5060       2.755804  130.0491       3.945997  127.0368       3.850352  1.328239       2.431350  
1 1 1 -4  6  8  o 197.7163 2.078056  389.2730       8.184600  372.5563       11.00489  409.9644       12.24347  -9.453583      4.156113  
1 1 1 -4  6  9  o 539.1842 6.257761  2627.303       59.42642  2351.109       67.83710  3538.555       123.2195  -109.3469      12.51552  
1 1 1 -4  6  10 o 373.2283 3.877686  1376.585       28.62469  1508.821       44.61408  1284.060       37.31867  30.05405       7.755372  
1 1 1 -4  6  11 o 333.9438 3.468793  1115.866       23.16729  1119.710       32.87357  1112.073       32.65451  1.142059       6.937585  
1 1 1 -4  6  12 o 227.2005 2.375680  516.0671       10.79095  526.1632       15.52527  506.6311       15.00921  4.296188       4.751359  
1 1 1 -4  6  13 o 105.6371 1.323167  110.5434       2.773515  103.7236       3.657652  119.7696       4.254300  -7.593399      2.646333  
1 1 1 -4  6  14 o 383.1186 3.975218  1464.107       30.37060  1531.140       45.05525  1408.285       41.11562  16.00314       7.950436  
1 1 1 -4  6  15 o 542.0936 7.963485  2946.326       86.26717  2886.342       119.1419  3012.434       125.0747  -11.53699      15.92697  
1 1 1 -4  6  16 o 289.1831 3.010529  836.7017       17.41177  836.3854       24.66629  837.0159       24.58185  -0.1095276     6.021059  
1 1 1 -4  6  17 o 88.33285 0.9857610 77.83427       1.738357  81.19769       2.553329  74.92831       2.373343  3.548340       1.971522  
1 1 1 -4  6  18 f 634.1785 6.610458  4029.290       83.76016  4125.323       121.7294  3942.937       115.4309  14.28107       13.22092  
1 1 1 -4  6  19 o 491.9673 5.135526  2407.760       50.21801  2279.444       66.73618  2575.261       76.24864  -29.93558      10.27105  
1 1 1 -4  6  20 o 591.3214 6.156174  3504.422       72.74946  3430.494       100.5461  3585.647       105.3913  -13.03131      12.31235  
1 1 1 -4  6  21 o 266.4469 2.776605  709.8906       14.78653  725.2465       21.38392  695.8211       20.46871  5.513306       5.553211  
1 1 1 -4  6  22 f 79.58835 0.9056973 62.49196       1.427648  57.58672       1.867748  69.38552       2.214164  -7.411171      1.811395  
1 1 1 -4  6  23 o 256.7370 2.677075  659.5719       13.74303  652.1993       19.19524  667.3256       19.68517  -2.939957      5.354150  
1 1 1 -4  6  24 o 396.0496 4.115116  1572.404       32.59575  1573.939       46.14522  1570.875       46.04963  0.3848267      8.230232  
1 1 1 -4  6  25 o 226.0972 2.366256  510.9420       10.68724  525.8483       15.57781  497.6875       14.68937  6.215347       4.732512  
1 1 1 -4  6  26 o 288.5593 3.007482  833.3569       17.34323  815.9689       23.96796  852.4674       25.12714  -6.300476      6.014964  
1 1 1 -4  6  27 o 113.5536 1.230101  128.8406       2.790987  132.1935       4.054530  125.8211       3.847691  2.803871       2.460202  
1 1 1 -4  6  28 o 100.6108 1.111174  101.0287       2.232358  97.49068       3.054079  105.0875       3.271148  -3.773453      2.222349  
1 1 1 -4  6  29 o 78.10982 0.8991389 60.89914       1.402690  58.79349       1.923074  63.29296       2.050453  -2.879311      1.798278  
1 1 1 -4  6  30 o 220.2339 2.307326  485.3729       10.15768  494.4417       14.65235  476.9818       14.09415  3.952591       4.614651  
1 1 1 -4  6  31 o 87.73325 0.9900362 76.75203       1.733269  73.62889       2.357167  80.42860       2.557495  -3.873360      1.980072  
1 1 1 -4  6  32 o 307.9630 3.211981  951.2724       19.78335  952.8987       28.02561  949.6572       27.93039  0.5231018      6.423962  
1 1 1 -4  6  33 o 103.5921 1.142345  106.6909       2.355509  100.9450       3.151109  113.9679       3.546160  -6.280617      2.284690  
1 1 1 -4  6  34 o 101.5835 1.124780  103.2269       2.284995  102.3835       3.206730  104.0968       3.256793  -0.8426132     2.249560  
1 1 1 -4  6  35 o 126.4488 1.368089  159.9654       3.458730  162.0811       4.967346  157.9743       4.818801  1.620804       2.736178  
1 1 1 -4  6  36 o 105.8383 1.167796  112.0753       2.471730  111.0424       3.467386  113.1424       3.524420  -0.9909515     2.335593  
1 1 1 -4  6  37 o 78.40489 0.9178636 60.77228       1.426697  66.91218       2.201112  56.32386       1.873547  6.746025       1.835727  
1 1 1 -4  6  38 o 52.29173 0.7185223 26.84352       0.7437055 23.85641       0.9706175 31.09072       1.157375  -6.914001      1.437045  
1 1 1 -4  6  39 o 40.27505 0.8029176 15.94374       0.6094627 15.40602       0.7402862 17.07489       1.073687  -2.063900      1.605835  
1 1 1 -4  6  40 o 94.14938 1.499609  88.79135       2.822793  90.31557       4.056337  87.36008       3.930690  1.563202       2.999217  
1 1 1 -4  6  41 o 91.22914 2.069534  0.000000       0.000000  ?              ?         83.42889       3.776035  ?              ?         
1 1 1 -4  6  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  6  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  6  44 o 84.74890 1.065997  71.71049       1.782344  70.53734       2.327320  73.37447       2.771760  -1.648262      2.131994  
1 1 1 -4  6  45 o 24.23759 0.7549908 5.893031       0.3634341 5.032311       0.5081860 6.794107       0.5199633 -3.633900      1.509982  
1 1 1 -4  6  46 o 39.16531 0.6922512 15.12877       0.5381846 17.41263       0.8232774 13.42450       0.7111834 5.085968       1.384502  
1 1 1 -4  6  47 o 110.7075 1.231008  122.5188       2.717863  128.4704       4.030808  117.5572       3.680335  4.896706       2.462017  
1 1 1 -4  6  48 o 21.75466 0.8259528 4.740500       0.3591363 4.737409       0.5171391 4.743380       0.4991305 -0.1498413E-01 1.651906  
1 1 1 -4  6  49 o 21.08952 0.8565646 4.499767       0.3566721 3.699460       0.5069922 5.283979       0.5018679 -3.757072      1.713129  
1 1 1 -4  6  50 f 25.86823 0.7756909 6.702726       0.4007812 6.721712       0.5823802 6.685645       0.5523889 0.6725883E-01  1.551382  
1 1 1 -4  6  51 o 10.35248 1.567717  1.127110       0.3145692 1.036513       0.4612057 1.205919       0.4301520 -0.8283787     3.135434  
1 1 1 -4  6  52 o 31.40974 0.7588425 9.836645       0.4754820 10.77775       0.7006789 9.033344       0.6473490 2.771669       1.517685  
1 1 1 -4  6  53 o 19.65949 0.9570619 3.838285       0.3714253 4.807885       0.5543959 3.048650       0.5003077 4.467279       1.914124  
1 1 1 -4  6  54 o 19.23569 1.004405  3.690576       0.3849326 4.006070       0.5759628 3.435904       0.5174757 1.473488       2.008810  
1 1 1 -4  6  55 o 5.197765 1.580044  -0.1893376     0.3277389 -0.7188740     0.4930818 0.2297626      0.4386620 -1.988350      3.160087  
1 1 1 -4  6  56 o 51.74865 0.8048045 26.86831       0.8327566 26.16120       1.176253  27.57890       1.179144  -1.369385      1.609609  
1 1 1 -4  6  57 o 12.58777 1.740449  1.858950       0.3953219 1.076597       0.6810529 2.256492       0.4854799 -4.768164      3.480899  
1 1 1 -4  6  58 o 55.90334 1.144716  31.46460       1.279542  32.26271       1.834208  30.70802       1.785851  1.379593       2.289432  
1 1 1 -4  6  59 o 47.94571 1.111444  23.15844       1.065706  22.83109       1.497376  23.49446       1.517089  -0.6870613     2.222887  
1 1 1 -4  6  60 o 57.23710 1.535472  32.91609       1.589726  32.47827       1.877762  34.02395       2.986982  -0.9807739     3.070945  
1 1 1 -4  6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  7  1  o 189.1293 1.981521  357.7723       7.494755  360.0113       10.67398  355.5949       10.52594  1.166824       3.963041  
1 1 1 -4  7  2  o 222.0246 2.322365  487.0490       10.20100  533.3269       15.87927  454.5304       13.31097  17.72980       4.644730  
1 1 1 -4  7  3  o 304.1963 3.162206  924.9072       19.21882  949.1402       27.94777  903.1671       26.47132  7.544739       6.324412  
1 1 1 -4  7  4  o 347.6178 3.617478  1198.721       24.96557  1126.591       32.99728  1295.290       38.18041  -24.21945      7.234955  
1 1 1 -4  7  5  o 29.79994 0.4954520 8.881212       0.2952622 8.812805       0.4193456 8.948469       0.4158045 -0.2276306     0.9909041 
1 1 1 -4  7  6  o 122.3497 1.308130  149.1489       3.190750  156.4289       4.744853  143.1391       4.311076  5.429817       2.616260  
1 1 1 -4  7  7  o 79.20251 0.8882917 62.72125       1.406925  63.47025       2.009098  62.00051       1.970838  0.9277649      1.776583  
1 1 1 -4  7  8  o 127.5102 1.359066  162.5719       3.465348  164.3615       4.954220  160.8576       4.848961  1.373695       2.718133  
1 1 1 -4  7  9  o 340.3466 3.544632  1153.025       24.02374  1097.815       32.22640  1222.082       36.04236  -18.23105      7.089263  
1 1 1 -4  7  10 o 380.1605 3.959799  1443.083       30.05636  1392.676       41.08499  1501.121       44.08572  -14.24139      7.919598  
1 1 1 -4  7  11 o 310.3301 3.226702  962.8856       20.01415  981.9371       28.92515  945.3862       27.72174  5.881805       6.453403  
1 1 1 -4  7  12 o 318.2780 4.677979  1011.157       29.70074  974.4641       40.30561  1054.755       43.93508  -12.58075      9.355959  
1 1 1 -4  7  13 o 491.7250 5.125961  2421.068       50.40257  2401.896       70.51912  2441.091       72.06606  -3.970032      10.25192  
1 1 1 -4  7  14 o 336.2912 4.941081  1130.712       33.18823  1100.636       45.54704  1164.755       48.45866  -9.504730      9.882161  
1 1 1 -4  7  15 o 158.1516 1.671676  250.1597       5.287554  250.1637       7.485065  250.1558       7.470420  0.2426147E-02  3.343352  
1 1 1 -4  7  16 o 92.93906 1.023207  86.16656       1.898172  83.15201       2.588375  89.67413       2.792016  -3.508362      2.046413  
1 1 1 -4  7  17 o 663.0483 6.890231  4407.746       91.31420  4487.438       131.9200  4334.440       126.5245  11.44751       13.78046  
1 1 1 -4  7  18 o 314.4519 3.271646  988.4182       20.55465  1014.569       29.88515  964.9420       28.31563  7.877350       6.543293  
1 1 1 -4  7  19 o 468.3926 4.865133  2179.143       45.22641  2054.140       59.71592  2347.296       69.25963  -31.15637      9.730267  
1 1 1 -4  7  20 o 259.4552 2.706460  673.5967       14.04336  670.0108       19.73964  677.2715       19.98321  -1.397003      5.412920  
1 1 1 -4  7  21 o 293.4251 3.057007  854.8156       17.81023  807.2226       23.55956  918.2875       27.20737  -18.88269      6.114014  
1 1 1 -4  7  22 o 246.4695 2.571537  607.9646       12.67588  606.1145       17.86376  609.8410       17.98972  -0.7545471     5.143074  
1 1 1 -4  7  23 o 119.0474 1.282019  140.4470       3.029338  152.0573       4.639196  131.8164       3.999820  8.497063       2.564038  
1 1 1 -4  7  24 o 132.5381 1.421774  175.4244       3.763718  170.3494       5.164006  181.1749       5.496987  -4.081223      2.843548  
1 1 1 -4  7  25 f 181.5441 1.910792  329.5513       6.933278  323.1949       9.598659  336.4857       10.02554  -3.655136      3.821584  
1 1 1 -4  7  26 o 316.4945 3.296118  1003.259       20.85009  983.7983       28.86135  1024.503       30.15406  -6.397858      6.592236  
1 1 1 -4  7  27 o 66.68924 0.8000748 43.92196       1.057562  48.58030       1.633792  40.56245       1.387455  6.009758       1.600150  
1 1 1 -4  7  28 o 164.9623 1.744335  272.2036       5.753081  276.1507       8.264204  268.4921       8.013747  2.317917       3.488669  
1 1 1 -4  7  29 o 108.5107 1.185164  117.0067       2.558639  110.6464       3.414805  125.1484       3.863523  -6.677757      2.370328  
1 1 1 -4  7  30 o 14.53722 0.8754047 2.107732       0.2535717 2.378545       0.3686419 1.864529       0.3493447 1.767777       1.750809  
1 1 1 -4  7  31 o 119.2171 1.291191  141.9077       3.073774  137.4058       4.206774  147.0641       4.502194  -4.046936      2.582383  
1 1 1 -4  7  32 o 128.8134 1.387197  165.8604       3.570972  162.0639       4.933398  170.0386       5.175534  -3.091766      2.774393  
1 1 1 -4  7  33 o 126.7359 1.367047  160.7202       3.465061  160.8642       4.908788  160.5772       4.891930  0.1129227      2.734094  
1 1 1 -4  7  34 o 52.57981 0.7116969 27.62425       0.7480418 26.68720       1.038741  28.63373       1.078141  -1.850632      1.423394  
1 1 1 -4  7  35 o 14.53482 0.9795387 2.104407       0.2835378 2.208103       0.4247090 2.021028       0.3808353 0.6428528      1.959077  
1 1 1 -4  7  36 f 137.8922 1.480565  190.3633       4.083134  190.5679       5.787402  190.1606       5.761532  0.1469421      2.961131  
1 1 1 -4  7  37 o 162.9856 1.732845  266.0519       5.646797  262.2536       7.867904  270.0868       8.109111  -2.393524      3.465690  
1 1 1 -4  7  38 o 42.77254 0.7335972 17.78715       0.6060541 20.24628       1.022863  16.45679       0.7523346 4.424465       1.467194  
1 1 1 -4  7  39 o 11.94082 1.697357  1.398431       0.3954190 1.989895       0.6216208 0.9964463      0.5124673 4.299603       3.394713  
1 1 1 -4  7  40 o 61.14079 1.113107  37.11996       1.353342  40.25211       2.051749  34.70772       1.800583  4.524189       2.226215  
1 1 1 -4  7  41 o 48.83446 0.8714812 22.61157       0.7732694 21.03193       0.9048398 26.88958       1.489064  -5.975327      1.742962  
1 1 1 -4  7  42 o 43.64861 0.6842850 19.04928       0.5971035 19.56099       0.8600314 18.57308       0.8296516 1.130695       1.368570  
1 1 1 -4  7  43 o 43.92101 0.8851162 19.42635       0.7677630 20.10166       1.019004  18.53961       1.167681  1.785069       1.770232  
1 1 1 -4  7  44 o 87.52144 1.422927  76.76804       2.488886  74.97381       3.440552  78.73770       3.604823  -2.137253      2.845854  
1 1 1 -4  7  45 o 61.44762 1.117454  37.84482       1.373294  37.85798       1.939805  37.83160       1.944465  0.2180481E-01  2.234909  
1 1 1 -4  7  46 o 35.89182 0.8276637 12.94987       0.5661243 12.73310       0.9549997 13.06733       0.7029550 -0.4800186     1.655327  
1 1 1 -4  7  47 o 63.85272 0.8228629 40.78598       1.049746  41.83963       1.526699  39.84111       1.445737  1.559612       1.645726  
1 1 1 -4  7  48 o 40.97152 0.7094405 16.51800       0.5759565 19.08257       0.8910450 14.67752       0.7548450 5.367168       1.418881  
1 1 1 -4  7  49 f 39.62683 0.7184431 15.72346       0.5690672 15.00347       0.7985769 16.46627       0.8111349 -1.844791      1.436886  
1 1 1 -4  7  50 o 59.00599 0.8038909 34.83948       0.9477336 35.88462       1.378213  33.90192       1.305349  1.673721       1.607782  
1 1 1 -4  7  51 o 46.05054 0.7455304 21.22927       0.6859286 21.60881       0.9965107 20.88753       0.9455899 0.7785759      1.491061  
1 1 1 -4  7  52 o 32.58982 0.7488226 10.57169       0.4862967 11.51534       0.7264864 9.805615       0.6545759 2.615953       1.497645  
1 1 1 -4  7  53 o 54.70431 0.7963256 29.90341       0.8698450 28.09181       1.191492  31.97077       1.272826  -3.536415      1.592651  
1 1 1 -4  7  54 o 49.55486 0.7776517 24.60066       0.7699718 25.00004       1.117553  24.23976       1.062352  0.7608185      1.555303  
1 1 1 -4  7  55 o 29.49404 0.8062453 8.649961       0.4732387 9.500106       0.7139500 7.983710       0.6320333 2.559769       1.612491  
1 1 1 -4  7  56 o 29.59137 0.8735537 8.819040       0.5075604 8.632243       0.7929942 8.948671       0.6606033 -0.5549278     1.747107  
1 1 1 -4  7  57 o 32.57870 0.9962857 10.61043       0.6375652 10.97297       1.008302  10.36893       0.8229717 0.8930779      1.992571  
1 1 1 -4  7  58 o 50.89204 1.114462  26.08156       1.134344  26.05047       1.602914  26.11276       1.605497  -0.6062698E-01 2.228923  
1 1 1 -4  7  59 o 35.04504 1.092258  12.28443       0.7624527 13.90077       1.130597  10.93615       1.032597  4.205822       2.184517  
1 1 1 -4  7  60 o 49.55130 1.129774  24.71039       1.117771  24.03363       1.529330  25.48653       1.637769  -1.438232      2.259548  
1 1 1 -4  7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  8  1  o 463.8335 4.824636  2131.601       44.35014  1998.485       58.22754  2315.532       68.44516  -34.08392      9.649272  
1 1 1 -4  8  2  o 171.5526 1.803257  294.1500       6.183386  288.7942       8.569679  299.9666       8.930750  -3.255035      3.606513  
1 1 1 -4  8  3  o 202.7045 2.122765  406.4420       8.524221  442.9606       13.18491  380.2160       11.17340  15.46884       4.245530  
1 1 1 -4  8  4  o 27.20157 0.4903443 7.390536       0.2666006 7.723033       0.3844709 7.082589       0.3700053 1.177208       0.9806887 
1 1 1 -4  8  5  o 416.7121 4.349738  1731.523       36.13994  1658.503       48.85579  1819.765       53.70717  -19.31061      8.699476  
1 1 1 -4  8  6  o 458.3579 4.762515  2099.927       43.59485  2043.511       59.75742  2164.113       63.73996  -13.12125      9.525030  
1 1 1 -4  8  7  o 159.2815 1.681739  252.8390       5.341236  264.8815       7.931047  242.8439       7.225460  6.915649       3.363478  
1 1 1 -4  8  8  f 101.1641 1.105916  101.3727       2.220952  110.1153       3.399939  94.86538       2.933277  7.536247       2.211831  
1 1 1 -4  8  9  o 132.0780 1.623408  174.2448       4.283742  179.1204       6.233596  169.8819       5.896687  3.496338       3.246816  
1 1 1 -4  8  10 o 425.7189 6.250692  1794.525       52.66716  1675.869       68.81749  1962.276       81.82523  -33.48090      12.50138  
1 1 1 -4  8  11 o 538.5162 5.609177  2845.646       59.35482  2609.500       75.93483  3216.533       95.16392  -56.14984      11.21835  
1 1 1 -4  8  12 o 86.17200 0.9641803 71.70855       1.617094  85.27081       2.687346  64.01014       2.024686  12.33492       1.928361  
1 1 1 -4  8  13 o 131.7405 1.987712  173.1139       5.225242  180.3887       7.709132  166.9315       7.106783  5.105057       3.975425  
1 1 1 -4  8  14 o 166.3091 1.752879  276.6370       5.830353  276.3025       8.227777  276.9745       8.263063  -0.2018890     3.505758  
1 1 1 -4  8  15 o 339.9334 3.535518  1150.004       23.91816  1095.494       31.98649  1219.140       36.02290  -18.15384      7.071037  
1 1 1 -4  8  16 o 286.2739 2.980286  819.4880       17.05414  836.0728       24.61523  804.1780       23.65009  5.563385       5.960573  
1 1 1 -4  8  17 f 419.4405 4.618136  1761.899       38.32704  1764.567       58.66225  1759.912       50.62649  0.4525146      9.236273  
1 1 1 -4  8  18 f 240.5062 2.515810  578.4628       12.09542  570.1765       16.79829  587.3843       17.43024  -3.572586      5.031620  
1 1 1 -4  8  19 o 235.2886 2.457117  553.7424       11.55937  561.5100       16.58578  546.4056       16.11903  3.205811       4.914234  
1 1 1 -4  8  20 o 147.7755 1.572142  215.8509       4.601734  236.5343       7.126348  201.0583       6.026670  11.99655       3.144285  
1 1 1 -4  8  21 o 316.6616 3.295844  1003.027       20.85279  1027.744       30.30161  980.7912       28.74086  7.390656       6.591688  
1 1 1 -4  8  22 o 162.9321 1.721047  265.0917       5.599754  257.2409       7.669670  274.0546       8.194893  -5.155121      3.442094  
1 1 1 -4  8  23 o 85.40430 0.9589856 72.94518       1.637943  73.36622       2.330836  72.53439       2.302231  0.4868393      1.917971  
1 1 1 -4  8  24 o 192.7158 2.025950  371.6197       7.807514  374.7620       11.15460  368.6017       10.93176  1.595352       4.051901  
1 1 1 -4  8  25 o 174.5242 1.839164  304.7915       6.419303  303.1566       9.028572  306.4630       9.128787  -0.9458771     3.678329  
1 1 1 -4  8  26 o 55.39106 0.7046889 30.05861       0.7709659 26.89002       0.9987443 34.73079       1.212780  -7.076427      1.409378  
1 1 1 -4  8  27 f 116.1329 1.256313  134.9090       2.917855  135.5557       4.149939  134.2767       4.103395  0.5502090      2.512626  
1 1 1 -4  8  28 o 252.8119 2.640716  638.9969       13.33078  620.3491       18.24634  660.3468       19.52353  -7.882431      5.281433  
1 1 1 -4  8  29 o 154.1689 1.638186  237.2481       5.040411  246.5683       7.423592  229.2765       6.865509  5.599792       3.276372  
1 1 1 -4  8  30 o 166.2397 1.761091  276.1113       5.846385  268.4076       8.008997  284.8990       8.553954  -4.950821      3.522183  
1 1 1 -4  8  31 o 97.97142 1.089363  95.05601       2.117685  103.4556       3.250057  88.85870       2.791657  7.444244       2.178726  
1 1 1 -4  8  32 o 140.1877 1.500153  196.6627       4.205943  195.7280       5.921342  197.6145       5.975226  -0.6719055     3.000305  
1 1 1 -4  8  33 o 176.1514 1.861572  310.6610       6.557755  312.9044       9.350459  308.4895       9.199515  1.249451       3.723143  
1 1 1 -4  8  34 o 104.1323 1.149757  108.4895       2.394399  107.6997       3.364273  109.3003       3.408543  -0.7677841     2.299515  
1 1 1 -4  8  35 o 47.49426 0.6902162 22.30353       0.6517102 20.13208       0.8665484 25.13103       0.9888230 -5.261227      1.380432  
1 1 1 -4  8  36 o 23.35807 0.8983213 5.048093       0.3831683 6.478652       0.7410976 4.526156       0.4476431 4.173796       1.796643  
1 1 1 -4  8  37 f 25.43692 1.023121  6.204970       0.5092645 8.268183       0.8183447 4.900936       0.6505923 6.614557       2.046243  
1 1 1 -4  8  38 o 99.00616 1.568884  98.02186       3.100954  101.5345       4.552306  94.98098       4.235621  3.294479       3.137768  
1 1 1 -4  8  39 o 89.02734 1.017377  78.72961       1.801465  73.90450       2.399416  84.96341       2.727271  -6.199638      2.034755  
1 1 1 -4  8  40 o 32.49373 0.6571141 10.34718       0.4225526 12.55467       0.6515067 8.744357       0.5551514 5.860600       1.314228  
1 1 1 -4  8  41 o 73.71472 0.8824155 54.34246       1.300194  52.95450       1.801770  55.85050       1.878107  -1.961281      1.764831  
1 1 1 -4  8  42 o 26.60554 0.7819930 7.143611       0.4080824 8.914351       0.5849400 5.464545       0.5695972 6.482662       1.563986  
1 1 1 -4  8  43 o 73.63425 0.8888825 54.28451       1.309030  53.94628       1.847085  54.62579       1.855438  -0.4610138     1.777765  
1 1 1 -4  8  44 o 24.91854 1.108116  6.069536       0.5454348 7.385814       0.8527267 5.158104       0.7095753 4.460590       2.216232  
1 1 1 -4  8  45 o 19.42967 0.8627394 3.710443       0.3287846 4.902949       0.5002936 2.803874       0.4362096 5.397907       1.725479  
1 1 1 -4  8  46 o 64.03671 0.9961195 41.58018       1.228654  43.01705       1.556957  39.20837       2.000360  3.005684       1.992239  
1 1 1 -4  8  47 o 31.22399 0.9560163 9.694156       0.5946584 10.84753       0.8862879 8.749804       0.8019680 3.352392       1.912033  
1 1 1 -4  8  48 o 47.73829 1.004324  22.82515       0.9582561 22.14860       1.325906  23.56494       1.386480  -1.477665      2.008648  
1 1 1 -4  8  49 o 16.84656 1.316894  2.857089       0.4300413 3.862863       0.6328660 1.994300       0.5861567 5.539562       2.633788  
1 1 1 -4  8  50 o 24.68179 0.9140151 6.021223       0.4299635 6.392349       0.7384990 5.830911       0.5288366 1.115673       1.828030  
1 1 1 -4  8  51 o 65.00740 0.8534360 42.30597       1.108735  40.69530       1.532150  44.07668       1.606465  -2.592785      1.706872  
1 1 1 -4  8  52 o 60.18374 0.8252020 36.18952       0.9915143 34.08359       1.354865  38.61790       1.454899  -3.755871      1.650404  
1 1 1 -4  8  53 o 19.99507 0.9517993 3.970065       0.3785942 4.512371       0.5701897 3.542462       0.5063108 2.416624       1.903599  
1 1 1 -4  8  54 o 32.92040 0.7837812 10.89282       0.5146546 10.37961       0.7441506 11.36335       0.7125409 -1.497845      1.567562  
1 1 1 -4  8  55 o 20.76781 0.9607732 4.329471       0.3968219 4.361388       0.5944607 4.303817       0.5329468 0.1283684      1.921546  
1 1 1 -4  8  56 o 15.17845 1.328916  2.310754       0.3962989 2.395165       0.6265360 2.254459       0.5116565 0.4365406      2.657833  
1 1 1 -4  8  57 f 26.54947 1.143624  7.098708       0.6072080 7.118622       0.8644544 7.079313       0.8531018 0.7153130E-01  2.287247  
1 1 1 -4  8  58 o 11.44340 2.021656  1.396107       0.4600116 1.336306       0.6913474 1.443618       0.6162236 -0.4485931     4.043312  
1 1 1 -4  8  59 o 57.10899 1.440263  33.22541       1.565073  32.40711       2.639980  33.66885       1.943408  -1.322773      2.880527  
1 1 1 -4  8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  8  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  9  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  9  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  9  3  o 553.9026 11.53541  0.000000       0.000000  ?              ?         3078.932       127.7898  ?              ?         
1 1 1 -4  9  4  o 308.3113 4.537726  949.9427       27.93772  980.1947       40.88359  923.4405       38.26598  9.181580       9.075452  
1 1 1 -4  9  5  o 154.9237 2.311254  239.7446       7.152639  233.6497       9.829696  246.6034       10.42747  -4.178040      4.622508  
1 1 1 -4  9  6  f 266.2350 3.918881  708.0574       20.83225  731.6904       30.52919  687.4645       28.49807  8.290466       7.837763  
1 1 1 -4  9  7  o 494.7105 5.145740  2448.870       50.88092  2395.420       70.45674  2507.126       73.55627  -11.25903      10.29148  
1 1 1 -4  9  8  o 458.5485 4.770063  2103.696       43.71557  2064.367       60.49289  2146.685       63.24520  -8.950134      9.540126  
1 1 1 -4  9  9  o 503.9645 5.237871  2540.935       52.74194  2602.862       76.64014  2485.221       72.69302  11.63065       10.47574  
1 1 1 -4  9  10 f 100.3269 1.095637  100.1268       2.189071  106.2382       3.283195  95.23552       2.937242  5.482635       2.191274  
1 1 1 -4  9  11 o 534.6852 5.550946  2858.072       59.25130  2772.263       80.92519  2957.226       86.99124  -17.22742      11.10189  
1 1 1 -4  9  12 o 227.6386 3.365031  517.8576       15.30310  532.5115       22.28233  504.7753       21.05361  6.083252       6.730063  
1 1 1 -4  9  13 o 306.1389 3.183205  936.3077       19.46282  965.2272       28.43763  910.8257       26.69418  8.872345       6.366411  
1 1 1 -4  9  14 o 86.87428 1.128126  72.57869       1.902321  87.48493       3.190646  64.35741       2.369541  13.30860       2.256253  
1 1 1 -4  9  15 o 224.1696 2.343789  501.9571       10.49381  516.8284       15.32480  488.8277       14.39937  6.239578       4.687578  
1 1 1 -4  9  16 o 86.80908 0.9686268 74.86584       1.673426  70.65295       2.236256  80.22718       2.522717  -5.513725      1.937254  
1 1 1 -4  9  17 o 571.4681 5.979564  3254.702       67.94566  3087.752       90.46137  3470.799       102.9188  -33.27301      11.95913  
1 1 1 -4  9  18 o 121.6968 1.312326  145.8635       3.153936  162.0511       4.953794  134.8290       4.089988  11.18029       2.624651  
1 1 1 -4  9  19 o 589.1274 6.139935  3473.904       72.14510  3642.425       106.9093  3332.990       97.76055  26.03046       12.27987  
1 1 1 -4  9  20 o 388.7454 4.039157  1512.434       31.36760  1474.565       43.13530  1554.934       45.69636  -10.28876      8.078314  
1 1 1 -4  9  21 o 90.72244 1.009269  81.24930       1.812754  89.64878       2.815207  75.29984       2.369313  7.905815       2.018539  
1 1 1 -4  9  22 o 316.9198 3.300315  1003.042       20.86098  966.6527       28.27750  1046.495       30.90044  -12.54639      6.600631  
1 1 1 -4  9  23 o 85.46542 0.9631386 72.76043       1.641674  69.32462       2.222577  76.88551       2.435338  -4.422005      1.926277  
1 1 1 -4  9  24 o 241.0959 2.518990  581.7358       12.14042  572.0252       16.85664  592.2015       17.49971  -4.171921      5.037980  
1 1 1 -4  9  25 o 191.4471 2.015414  366.6054       7.712261  359.9646       10.68764  373.8202       11.13999  -3.611298      4.030828  
1 1 1 -4  9  26 o 234.6383 2.453775  551.2800       11.51499  551.6725       16.29544  550.8884       16.27388  0.1666718      4.907550  
1 1 1 -4  9  27 o 119.7675 1.294668  143.1010       3.094402  137.8453       4.211662  149.2663       4.561541  -4.764252      2.589336  
1 1 1 -4  9  28 o 97.37800 1.085162  93.29114       2.086337  104.4164       3.282369  85.74952       2.702500  9.579056       2.170324  
1 1 1 -4  9  29 o 211.4582 2.218774  447.3690       9.376799  438.4759       12.96983  457.1075       13.57227  -4.392670      4.437549  
1 1 1 -4  9  30 o 105.1092 1.156503  109.0350       2.405132  120.4370       3.745698  101.0359       3.137333  9.221642       2.313007  
1 1 1 -4  9  31 o 91.38768 1.027750  83.51405       1.877949  84.81061       2.694669  82.28966       2.618605  1.378372       2.055500  
1 1 1 -4  9  32 o 151.2986 1.611668  229.1262       4.876859  229.1076       6.901148  229.1447       6.892701  -0.1240540E-01 3.223336  
1 1 1 -4  9  33 o 140.7745 1.864336  195.3036       4.831178  206.5366       8.871534  190.5681       5.760215  5.585037       3.728672  
1 1 1 -4  9  34 f 70.93312 1.217314  48.17063       1.678287  41.70689       2.093117  59.80769       2.808492  -12.74450      2.434629  
1 1 1 -4  9  35 o 21.82321 1.077877  4.818126       0.4652055 4.265600       0.6840682 5.293513       0.6345218 -2.356176      2.155754  
1 1 1 -4  9  36 o 41.23265 0.8156008 17.47251       0.6508311 19.34589       0.8502759 14.82201       1.011372  5.488838       1.631202  
1 1 1 -4  9  37 o 55.20782 0.7377797 30.20029       0.8099332 33.23125       1.228734  27.87153       1.077036  4.850918       1.475559  
1 1 1 -4  9  38 o 53.86806 0.7308276 28.37725       0.7764586 33.04125       1.229432  25.28259       1.001458  7.195988       1.461655  
1 1 1 -4  9  39 o 41.34003 0.6644390 16.59738       0.5407757 20.18488       0.8617607 14.26699       0.6945515 7.153450       1.328878  
1 1 1 -4  9  40 o 71.83052 0.8668156 51.57846       1.244296  50.02118       1.718471  53.29471       1.804048  -2.275352      1.733631  
1 1 1 -4  9  41 o 31.18593 0.6756045 9.429234       0.4145070 12.10550       0.6522859 7.616475       0.5368379 7.193497       1.351209  
1 1 1 -4  9  42 o 47.75134 0.7100469 22.76050       0.6772435 21.49832       0.9309871 24.17913       0.9869989 -2.804955      1.420094  
1 1 1 -4  9  43 o 82.92399 0.9705957 68.86272       1.609580  69.16790       2.293158  68.56636       2.259789  0.3608856      1.941191  
1 1 1 -4  9  44 f 50.24325 1.049569  24.95394       1.044726  27.74924       1.618201  22.95611       1.368037  4.752583       2.099139  
1 1 1 -4  9  45 f 60.25834 0.7915587 36.28951       0.9526098 37.54774       1.392628  35.18305       1.305935  1.957321       1.583117  
1 1 1 -4  9  46 o 106.5359 1.193398  113.3727       2.533664  119.4626       3.780150  108.4053       3.414039  5.154350       2.386796  
1 1 1 -4  9  47 f 65.23440 0.8350156 42.48850       1.086511  44.47818       1.608980  40.82066       1.473110  2.793301       1.670031  
1 1 1 -4  9  48 o 26.43202 0.7891107 6.934980       0.4047448 4.848992       0.5430613 9.541622       0.6070627 -8.871744      1.578221  
1 1 1 -4  9  49 o 63.34570 0.8320624 40.21037       1.054030  40.30521       1.502896  40.11856       1.478646  0.1451454      1.664125  
1 1 1 -4  9  50 o 42.92315 0.8944471 17.53404       0.7202064 15.95598       0.8621598 21.17809       1.310141  -6.035152      1.788894  
1 1 1 -4  9  51 o 71.90451 1.259699  51.98450       1.811039  52.97828       2.599643  51.04741       2.524405  1.330177       2.519397  
1 1 1 -4  9  52 f 82.76141 1.396011  69.01362       2.310709  69.25787       3.271618  68.77048       3.264067  0.2929993      2.792022  
1 1 1 -4  9  53 o 56.06010 0.9680103 31.56768       1.032042  31.48914       1.754645  31.60923       1.276124  -0.1740303     1.936021  
1 1 1 -4  9  54 o 62.00266 0.8513226 38.47949       1.053515  39.93289       1.550407  37.23275       1.435958  2.161655       1.702645  
1 1 1 -4  9  55 o 17.46782 1.138479  3.049967       0.3956114 3.267754       0.5978734 2.880339       0.5276431 1.094847       2.276959  
1 1 1 -4  9  56 o 41.21703 0.9727583 17.03854       0.7933269 17.29158       1.217925  16.85206       1.045563  0.5027809      1.945517  
1 1 1 -4  9  57 o 19.43840 1.401929  3.771093       0.5389616 4.662469       0.8094441 3.061160       0.7223784 4.094810       2.803859  
1 1 1 -4  9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  9  59 o 34.69125 1.135977  12.14791       0.7871050 12.53200       1.096891  11.74020       1.130122  1.149632       2.271955  
1 1 1 -4  9  60 f 42.47978 2.480571  0.000000       0.000000  ?              ?         18.43259       2.107482  ?              ?         
1 1 1 -4  9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  10 1  o 609.3916 6.350135  3713.363       77.26465  3581.486       105.6229  3865.160       113.3202  -23.17841      12.70027  
1 1 1 -4  10 2  o 337.1533 4.230992  1153.196       27.68200  1207.092       35.59051  1070.660       44.04301  20.30276       8.461984  
1 1 1 -4  10 3  o 564.5979 7.717461  3015.173       79.28082  2783.845       92.76087  3642.131       152.7110  -75.09564      15.43492  
1 1 1 -4  10 4  f 682.4167 10.05961  4642.590       136.2672  4371.861       180.0261  5005.803       208.5202  -45.87866      20.11923  
1 1 1 -4  10 5  o 344.5637 5.070412  1188.934       34.94108  1194.363       49.57827  1183.576       49.25166  1.562042       10.14082  
1 1 1 -4  10 6  o 379.0570 5.569856  1437.290       42.17401  1479.483       61.49466  1399.822       57.94923  10.46808       11.13971  
1 1 1 -4  10 7  o 264.2704 3.360717  703.2559       16.92754  684.1191       28.47008  713.7205       21.05305  -5.650665      6.721434  
1 1 1 -4  10 8  o 191.9730 2.014150  367.2366       7.708457  352.3976       10.41442  385.2167       11.46378  -8.543442      4.028299  
1 1 1 -4  10 9  f 87.03208 0.9761945 75.45223       1.694210  79.49691       2.515438  72.09403       2.292059  4.252487       1.952389  
1 1 1 -4  10 10 o 193.2023 2.025629  372.4695       7.811038  386.7699       11.49596  360.2059       10.64590  6.870728       4.051258  
1 1 1 -4  10 11 o 338.7079 4.980151  1145.240       33.63635  1198.002       49.91724  1101.358       45.52372  14.21378       9.960302  
1 1 1 -4  10 12 o 60.79465 0.7418579 36.02665       0.8868282 42.08585       1.421939  32.16947       1.134511  8.155075       1.483716  
1 1 1 -4  10 13 o 343.0509 3.563692  1177.942       24.44944  1172.434       34.38311  1183.575       34.77367  -1.619934      7.127385  
1 1 1 -4  10 14 o 321.1562 3.339796  1032.051       21.44654  1045.960       30.74718  1018.873       29.92932  4.209106       6.679593  
1 1 1 -4  10 15 o 332.2968 3.461774  1102.023       22.94154  1063.250       31.08610  1148.398       33.99750  -12.77969      6.923549  
1 1 1 -4  10 16 f 172.3802 1.816728  296.5344       6.250638  286.7505       8.520754  307.9341       9.197457  -6.140091      3.633457  
1 1 1 -4  10 17 o 347.8832 3.618130  1211.990       25.17336  1214.597       35.71395  1209.416       35.48814  0.7413940      7.236261  
1 1 1 -4  10 18 o 496.2191 5.157583  2470.560       51.18571  2473.559       72.47517  2467.575       72.30020  0.5989075      10.31517  
1 1 1 -4  10 19 o 389.6428 4.049131  1521.506       31.55117  1509.300       44.24773  1534.132       45.00203  -3.171417      8.098262  
1 1 1 -4  10 20 o 145.2237 1.548476  210.3244       4.486449  202.2419       6.092958  219.8966       6.630688  -6.073929      3.096951  
1 1 1 -4  10 21 o 146.0878 1.553817  213.0289       4.531628  206.0842       6.188592  221.0575       6.654076  -5.120331      3.107634  
1 1 1 -4  10 22 o 306.1633 3.188157  938.3932       19.50684  919.1253       26.96068  959.5612       28.25875  -6.574860      6.376313  
1 1 1 -4  10 23 o 215.8062 2.261956  465.6387       9.751910  454.1104       13.41616  478.5530       14.19973  -5.649216      4.523913  
1 1 1 -4  10 24 o 202.1697 2.122249  406.6735       8.536819  432.5266       12.87890  386.4118       11.40143  11.37981       4.244497  
1 1 1 -4  10 25 f 17.11348 0.7127310 2.900840       0.2422751 3.427678       0.3611116 2.469570       0.3267212 2.799089       1.425462  
1 1 1 -4  10 26 o 197.4197 2.074717  389.2727       8.176250  376.8841       11.15908  403.6326       12.01413  -6.759644      4.149433  
1 1 1 -4  10 27 o 145.5789 1.551647  211.8630       4.514088  216.7766       6.543095  207.4002       6.235757  3.216064       3.103294  
1 1 1 -4  10 28 o 103.4618 1.140686  105.5582       2.333915  117.0201       3.643724  97.58391       3.039218  9.386307       2.281373  
1 1 1 -4  10 29 o 183.8844 1.938771  338.5079       7.130115  337.4460       10.05462  339.5822       10.11264  -0.5796814     3.877543  
1 1 1 -4  10 30 o 352.9283 4.511005  1256.356       30.11766  1245.343       51.67282  1262.022       37.06435  -3.096405      9.022010  
1 1 1 -4  10 31 f 117.9197 1.813367  139.1098       4.273899  141.9457       6.177666  136.5063       5.919038  2.300545       3.626734  
1 1 1 -4  10 32 o 129.4031 1.976472  167.3671       5.106036  173.4629       7.495276  162.0884       6.974831  4.379662       3.952945  
1 1 1 -4  10 33 f 42.10915 0.8240231 15.86538       0.6185872 13.92523       0.7095475 22.01069       1.262803  -9.593082      1.648046  
1 1 1 -4  10 34 f 128.4493 1.387145  165.1555       3.563265  166.2025       5.077701  164.1396       5.001596  0.8008881      2.774290  
1 1 1 -4  10 35 o 35.16492 0.6482897 12.35204       0.4552740 11.44126       0.6322125 13.33312       0.6561646 -2.689625      1.296579  
1 1 1 -4  10 36 o 116.1426 1.269051  134.9509       2.946065  132.0738       4.081911  138.0790       4.256288  -2.579216      2.538102  
1 1 1 -4  10 37 o 53.65089 0.7309444 28.77498       0.7839162 29.51298       1.130944  28.09249       1.087577  1.322792       1.461889  
1 1 1 -4  10 38 o 70.35590 0.8512023 49.47639       1.196621  50.83609       1.738211  48.25149       1.649802  1.834145       1.702405  
1 1 1 -4  10 39 o 30.73539 0.6531941 9.452394       0.4013603 9.421801       0.5753814 9.481388       0.5601437 -0.9736443E-01 1.306388  
1 1 1 -4  10 40 o 56.09359 0.7505628 31.34730       0.8400642 29.37185       1.141856  33.67805       1.240300  -3.834976      1.501126  
1 1 1 -4  10 41 o 154.2443 2.345091  239.7921       7.234023  241.3396       10.28917  238.2793       10.17273  0.9780579      4.690182  
1 1 1 -4  10 42 o 19.05405 0.8552341 3.524498       0.3133750 5.194480       0.4879726 2.352353       0.4088181 7.454455       1.710468  
1 1 1 -4  10 43 f 100.2476 1.129110  100.6678       2.263043  98.82129       3.150671  102.6357       3.252616  -1.895386      2.258221  
1 1 1 -4  10 44 o 82.46925 0.9701293 68.13846       1.600031  68.18826       2.274941  68.08971       2.250824  0.5810547E-01  1.940259  
1 1 1 -4  10 45 o 37.10030 0.6982011 13.71622       0.5164693 14.55279       0.7680609 13.02574       0.6977823 2.054287       1.396402  
1 1 1 -4  10 46 o 59.97755 0.7972128 36.03028       0.9562333 35.61781       1.354057  36.44064       1.350586  -0.6861916     1.594426  
1 1 1 -4  10 47 o 63.07204 0.8232676 39.80656       1.037859  38.39739       1.437815  41.33954       1.499647  -2.327431      1.646535  
1 1 1 -4  10 48 o 46.82455 0.7377037 21.95019       0.6903031 20.75112       0.9653537 23.20490       0.9874948 -2.618473      1.475407  
1 1 1 -4  10 49 f 49.21993 0.7538813 24.21573       0.7410970 22.56322       1.023041  26.04046       1.075030  -3.527851      1.507763  
1 1 1 -4  10 50 o 62.90654 0.8384983 39.65160       1.054656  38.49433       1.473511  40.86719       1.510181  -1.882126      1.676997  
1 1 1 -4  10 51 o 88.24292 1.043841  77.74272       1.835368  73.21272       2.468849  83.33924       2.744127  -5.698875      2.087682  
1 1 1 -4  10 52 o 23.12294 0.9051718 5.386441       0.4157746 5.152995       0.6172968 5.580285       0.5625038 -0.9310741     1.810344  
1 1 1 -4  10 53 o 96.62344 1.376392  93.98901       2.516589  93.72261       3.092491  94.51130       4.330128  -0.1542664     2.752784  
1 1 1 -4  10 54 o 35.45403 1.037329  12.62572       0.7352426 13.08667       1.056912  12.19346       1.023474  1.253666       2.074657  
1 1 1 -4  10 55 o 22.30712 1.209712  5.027549       0.5373871 4.503754       0.7611767 5.548062       0.7587891 -2.341259      2.419424  
1 1 1 -4  10 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  10 57 o 44.49913 1.514233  19.93223       1.347641  19.93223       1.347641  ?              ?         ?              ?         
1 1 1 -4  10 58 o 70.16977 1.290597  49.74015       1.810926  49.13372       2.533513  50.37366       2.589476  -0.8675308     2.581194  
1 1 1 -4  10 59 o 53.51208 1.149138  28.87613       1.229694  29.40920       1.755831  28.36297       1.722741  0.9687309      2.298277  
1 1 1 -4  10 60 f 27.63924 1.962347  7.367946       1.048893  5.995195       1.297751  9.954108       1.781244  -6.922714      3.924693  
1 1 1 -4  10 61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  11 1  o 654.1228 6.811999  4263.633       88.65446  4038.168       118.3481  4551.931       133.8266  -39.03790      13.62400  
1 1 1 -4  11 2  o 401.9487 4.192647  1613.814       33.64540  1675.355       49.37593  1560.470       45.97002  14.25943       8.385295  
1 1 1 -4  11 3  o 283.9800 2.955048  806.3221       16.77337  822.3727       24.22953  791.5515       23.24344  5.420227       5.910097  
1 1 1 -4  11 4  o 571.1857 5.953294  3186.578       66.53960  2896.866       84.29314  3665.591       108.3883  -66.96936      11.90659  
1 1 1 -4  11 5  o 396.9444 4.125801  1577.287       32.75156  1570.273       45.98077  1584.511       46.66214  -1.787018      8.251601  
1 1 1 -4  11 6  o 213.3304 2.706649  460.4628       11.12518  475.5605       14.09527  435.5168       18.11839  9.410568       5.413299  
1 1 1 -4  11 7  o 295.3840 4.355601  869.0760       25.61845  827.9664       34.35497  920.5694       38.44976  -15.63174      8.711202  
1 1 1 -4  11 8  o 152.5066 2.288724  232.5162       6.977130  237.0957       10.06808  228.2850       9.677794  2.886383       4.577447  
1 1 1 -4  11 9  o 419.5521 6.165015  1761.317       51.63187  1706.142       70.46270  1825.293       75.87423  -14.11200      12.33003  
1 1 1 -4  11 10 o 71.45330 1.179050  50.53696       1.672955  55.37615       2.558273  46.92141       2.211304  5.915146       2.358100  
1 1 1 -4  11 11 o 381.9962 4.826863  1473.698       35.28407  1421.051       58.67899  1503.514       44.15929  -10.99445      9.653727  
1 1 1 -4  11 12 f 480.7824 4.992303  2316.168       47.99726  2294.787       67.19699  2338.439       68.58092  -4.518341      9.984606  
1 1 1 -4  11 13 o 352.0958 3.660342  1240.672       25.76381  1260.290       37.11281  1222.423       35.79403  5.361206       7.320683  
1 1 1 -4  11 14 o 301.9308 3.141620  911.4568       18.95091  890.2594       26.09381  935.1173       27.56820  -7.411621      6.283240  
1 1 1 -4  11 15 o 381.7222 3.965713  1459.178       30.26604  1439.837       42.16259  1479.740       43.47277  -5.205902      7.931425  
1 1 1 -4  11 16 o 205.2132 2.150756  420.6849       8.815063  409.1601       12.09180  433.7572       12.87808  -5.985580      4.301512  
1 1 1 -4  11 17 o 272.3354 2.840197  741.1677       15.44506  720.5244       21.14351  764.7862       22.61600  -8.105988      5.680394  
1 1 1 -4  11 18 o 363.3101 3.779736  1315.505       27.33386  1394.428       41.11952  1253.018       36.58792  19.37036       7.559472  
1 1 1 -4  11 19 o 145.9792 1.552648  213.0818       4.531250  216.5985       6.520317  209.7970       6.301591  2.327637       3.105297  
1 1 1 -4  11 20 o 143.0487 1.522961  204.6688       4.356308  202.3836       6.089084  207.0648       6.235006  -1.634766      3.045923  
1 1 1 -4  11 21 o 275.4049 2.872357  759.1445       15.80984  743.6717       21.86697  776.0912       22.88471  -5.864044      5.744715  
1 1 1 -4  11 22 o 212.8612 2.230912  452.1776       9.471922  472.3213       14.02468  435.2833       12.84373  8.678787       4.461823  
1 1 1 -4  11 23 f 168.0067 1.775930  280.3920       5.930025  300.2820       9.009052  265.1863       7.877111  10.42888       3.551860  
1 1 1 -4  11 24 o 106.1645 1.161296  112.5271       2.462233  108.9406       3.374519  116.6106       3.600726  -3.610283      2.322591  
1 1 1 -4  11 25 o 157.0236 1.667698  245.2776       5.211327  233.1005       6.966497  260.7498       7.852687  -8.791443      3.335397  
1 1 1 -4  11 26 o 190.6960 2.006472  363.9834       7.651746  361.0988       10.72981  366.9684       10.91497  -1.535599      4.012944  
1 1 1 -4  11 27 o 174.8592 2.265227  305.7967       7.451499  307.3503       12.98045  305.0331       9.100329  0.5780334      4.530454  
1 1 1 -4  11 28 o 233.9454 3.470904  547.3510       16.19111  573.1888       24.03952  525.8988       21.90450  10.02827       6.941808  
1 1 1 -4  11 29 o 250.1732 3.709536  627.6038       18.53411  647.0870       27.08818  610.4543       25.41421  7.250824       7.419073  
1 1 1 -4  11 30 o 81.16159 1.138733  66.99772       1.796843  71.21592       2.328974  60.79448       2.824297  6.427193       2.277467  
1 1 1 -4  11 31 o 147.7579 1.578714  217.2183       4.641515  231.2698       7.000982  206.1982       6.199958  8.465118       3.157428  
1 1 1 -4  11 32 o 137.8582 1.480240  188.5668       4.052220  177.1203       5.360250  203.8333       6.190382  -9.668427      2.960480  
1 1 1 -4  11 33 o 159.7184 1.698367  255.4987       5.425060  256.4353       7.705866  254.5783       7.638960  0.5791168      3.396733  
1 1 1 -4  11 34 o 69.56550 0.8413633 48.26513       1.168346  46.07647       1.592986  50.81302       1.718755  -3.401947      1.682727  
1 1 1 -4  11 35 o 145.1005 1.554857  210.7993       4.509952  207.0882       6.260221  214.8035       6.502763  -2.648514      3.109713  
1 1 1 -4  11 36 o 75.85753 0.8957264 57.51971       1.357703  59.04898       1.971592  56.14045       1.872409  1.914246       1.791453  
1 1 1 -4  11 37 o 62.66932 0.7888997 39.24248       0.9880443 37.83904       1.365370  40.78535       1.431592  -2.348877      1.577799  
1 1 1 -4  11 38 o 69.52676 0.8456199 48.34516       1.175372  47.16024       1.633580  49.61700       1.692436  -1.764679      1.691240  
1 1 1 -4  11 39 o 50.59338 0.7148813 25.27847       0.7173293 28.20494       1.105099  23.14760       0.9429911 4.992729       1.429763  
1 1 1 -4  11 40 o 26.01295 0.7037057 6.792499       0.3649591 6.378302       0.5262234 7.176374       0.5065963 -1.534679      1.407411  
1 1 1 -4  11 41 o 83.03508 0.9689519 68.73228       1.603445  72.65518       2.392123  65.53163       2.160721  4.277351       1.937904  
1 1 1 -4  11 42 o 7.247743 1.582456  0.5015136      0.2601421 0.7215546      0.3822482 0.3116732      0.3550487 2.176488       3.164912  
1 1 1 -4  11 43 o 72.24158 1.263451  51.51418       1.803280  57.63438       2.829089  47.32604       2.340318  7.091553       2.526903  
1 1 1 -4  11 44 o 12.01328 1.283534  1.427487       0.2898685 2.099585       0.4504032 0.9522883      0.3787236 4.917671       2.567068  
1 1 1 -4  11 45 f 34.66502 0.7009339 11.98655       0.4838553 10.50294       0.6644391 13.66156       0.7059998 -4.553501      1.401868  
1 1 1 -4  11 46 o 93.04743 1.069729  86.79961       1.990212  85.19810       2.776789  88.49136       2.853967  -1.762039      2.139458  
1 1 1 -4  11 47 f 11.19956 1.452041  1.350865       0.3084916 0.7462299      0.4397362 1.936822       0.4328905 -5.385205      2.904081  
1 1 1 -4  11 48 f 43.21279 0.7313343 18.68578       0.6308575 19.00017       0.9243619 18.41166       0.8631181 0.6759796      1.462669  
1 1 1 -4  11 49 o 25.00095 0.8001519 6.287505       0.3982367 5.627991       0.5659155 6.934472       0.5605069 -2.613386      1.600304  
1 1 1 -4  11 50 o 86.23227 1.024535  74.46450       1.764188  71.37645       2.413608  78.00693       2.585087  -3.821083      2.049071  
1 1 1 -4  11 51 o 9.362248 1.711580  0.9006576      0.3221198 1.092519       0.4923781 0.7571003      0.4259093 1.656006       3.423161  
1 1 1 -4  11 52 o 62.50562 0.8491353 38.99156       1.058822  36.29291       1.437621  42.19090       1.565315  -4.702065      1.698271  
1 1 1 -4  11 53 o 45.72962 0.7804386 20.91659       0.7116912 21.65332       1.054523  20.30032       0.9644624 1.467773       1.560877  
1 1 1 -4  11 54 o 35.48939 1.567626  12.62160       1.073058  12.27924       1.341658  13.22940       1.787637  -1.216122      3.135251  
1 1 1 -4  11 55 o 31.79092 1.520685  10.16704       0.9668795 10.16704       0.9668795 ?              ?         ?              ?         
1 1 1 -4  11 56 o 42.80954 1.063480  18.33310       0.9077185 19.95127       1.349125  16.99471       1.226968  3.427288       2.126960  
1 1 1 -4  11 57 o 32.42866 1.100463  10.58036       0.7129405 11.30484       1.028425  9.910068       0.9892179 2.140965       2.200925  
1 1 1 -4  11 58 o 38.20877 1.098819  14.70827       0.8395630 15.07438       1.194866  14.35126       1.179918  0.9426041      2.197639  
1 1 1 -4  11 59 f 71.29156 1.313176  51.42620       1.872079  50.91183       2.620055  51.96271       2.675868  -0.7189636     2.626353  
1 1 1 -4  11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  12 1  f 258.5690 2.695118  668.7173       13.93322  659.9248       19.41970  678.0455       20.00231  -3.499725      5.390235  
1 1 1 -4  12 2  o 302.7053 3.148337  916.9963       19.06019  914.7159       26.88665  919.3001       27.02425  -0.7560425     6.296673  
1 1 1 -4  12 3  o 54.17836 0.6892147 28.96037       0.7404595 32.37074       1.141758  26.48485       0.9727621 5.431641       1.378429  
1 1 1 -4  12 4  o 127.7952 1.369505  163.2239       3.498359  166.6464       5.050483  160.0672       4.850431  2.573395       2.739010  
1 1 1 -4  12 5  o 112.0826 1.214752  125.1559       2.714962  119.7429       3.672620  131.6785       4.031496  -5.323227      2.429503  
1 1 1 -4  12 6  o 413.3586 4.291974  1709.161       35.44656  1668.125       48.82997  1754.875       51.53756  -10.45984      8.583948  
1 1 1 -4  12 7  o 158.3546 1.677492  250.5418       5.308237  244.4411       7.326359  257.2836       7.701656  -4.053101      3.354984  
1 1 1 -4  12 8  o 413.0518 4.952772  1709.197       40.90311  1687.096       57.02867  1732.611       58.69897  -5.484100      9.905544  
1 1 1 -4  12 9  o 295.0004 3.072375  870.9639       18.12647  865.9387       25.51161  876.0875       25.75959  -1.717682      6.144750  
1 1 1 -4  12 10 o 195.4635 2.545290  375.2047       9.112188  365.1108       10.81600  399.8886       16.91394  -8.843781      5.090581  
1 1 1 -4  12 11 o 87.63862 1.283780  74.57658       2.134474  70.14495       2.597332  83.79534       3.746117  -7.782501      2.567561  
1 1 1 -4  12 12 o 148.7572 2.236626  221.2105       6.649132  216.6306       9.189498  226.2429       9.632738  -3.226929      4.473252  
1 1 1 -4  12 13 o 320.9586 4.728315  1032.924       30.35184  1032.031       42.88587  1033.820       42.96220  -0.2772522     9.456630  
1 1 1 -4  12 14 o 218.7643 3.240584  479.1442       14.17617  474.4502       19.83486  484.0456       20.26843  -2.186584      6.481168  
1 1 1 -4  12 15 o 201.1466 2.583140  405.4850       9.819007  403.4368       16.90874  406.5271       12.06098  -0.8298187     5.166280  
1 1 1 -4  12 16 o 239.8053 2.505235  575.3230       12.01011  566.3266       16.69231  584.9789       17.29337  -3.880951      5.010469  
1 1 1 -4  12 17 o 176.7955 1.864197  311.1076       6.562389  329.4543       9.851726  296.4738       8.798555  9.315750       3.728393  
1 1 1 -4  12 18 o 165.8526 1.753863  274.8876       5.811772  268.1417       8.005791  282.4035       8.450393  -4.294479      3.507727  
1 1 1 -4  12 19 o 128.0496 1.375350  163.5408       3.513754  170.7829       5.190663  157.4151       4.773858  5.215614       2.750701  
1 1 1 -4  12 20 f 176.7673 1.863326  312.6441       6.586282  315.9954       9.423437  309.4437       9.209080  1.850021       3.726652  
1 1 1 -4  12 21 o 99.74536 1.098780  99.40331       2.190087  96.88480       3.022406  102.1877       3.177947  -2.656845      2.197560  
1 1 1 -4  12 22 o 144.2414 1.537272  207.0949       4.415904  219.3025       6.621465  197.3161       5.926270  7.613083       3.074543  
1 1 1 -4  12 23 o 188.2574 1.982224  354.7024       7.462905  352.2077       10.48360  357.2654       10.62613  -1.340973      3.964448  
1 1 1 -4  12 24 o 190.9357 2.512155  350.6715       8.539190  396.9878       16.84293  334.6477       9.906801  16.17229       5.024310  
1 1 1 -4  12 25 o 91.42466 1.451721  83.44845       2.650470  80.47059       3.629128  86.85242       3.880108  -3.486816      2.903443  
1 1 1 -4  12 26 o 186.6775 2.785513  349.1389       10.39674  353.7107       14.92188  344.8255       14.49389  2.367859       5.571026  
1 1 1 -4  12 27 f 101.0956 1.356105  103.8091       2.659647  109.3106       3.424400  95.44508       4.222324  6.869179       2.712209  
1 1 1 -4  12 28 o 182.8446 1.929375  334.1539       7.045133  344.8331       10.30308  324.7758       9.655100  5.470291       3.858751  
1 1 1 -4  12 29 o 30.95183 0.6660698 9.246799       0.4044034 12.21204       0.6394205 7.270000       0.5220811 7.982422       1.332140  
1 1 1 -4  12 30 o 107.3243 1.180791  114.8666       2.527510  120.2348       3.745748  110.3792       3.424670  4.585724       2.361583  
1 1 1 -4  12 31 o 91.35869 1.033759  83.10369       1.882232  78.98432       2.536318  88.15335       2.808144  -5.013496      2.067518  
1 1 1 -4  12 32 o 107.9128 1.187961  116.5329       2.563651  117.2591       3.656651  115.8308       3.595230  0.6603241      2.375921  
1 1 1 -4  12 33 o 144.1039 1.543769  207.9258       4.448336  205.4115       6.214864  210.5669       6.369791  -1.783279      3.087538  
1 1 1 -4  12 34 o 121.7727 1.324064  148.4836       3.224694  148.2315       4.559918  148.7359       4.560894  -0.2070694     2.648129  
1 1 1 -4  12 35 o 80.28960 0.9355808 64.50667       1.502245  63.74832       2.109647  65.28675       2.139661  -0.9571533     1.871162  
1 1 1 -4  12 36 o 71.56296 0.8612608 51.25047       1.232658  51.10647       1.747768  51.39300       1.738752  -0.2004623     1.722522  
1 1 1 -4  12 37 o 40.65696 0.6595826 16.44975       0.5344306 17.56829       0.7978561 15.53947       0.7197607 2.492916       1.319165  
1 1 1 -4  12 38 o 96.30647 1.085291  92.39927       2.081733  98.07861       3.120034  87.84232       2.794778  5.298378       2.170582  
1 1 1 -4  12 39 o 49.74337 0.7118705 24.75644       0.7080393 23.98569       0.9941863 25.54971       1.008607  -1.571579      1.423741  
1 1 1 -4  12 40 o 36.12981 0.6757062 12.71167       0.4814088 15.38416       0.7613045 10.93103       0.6214252 6.157593       1.351412  
1 1 1 -4  12 41 o 51.03519 0.7252852 26.06908       0.7400275 26.03869       1.060765  26.09790       1.032905  -0.5917740E-01 1.450570  
1 1 1 -4  12 42 o 64.90495 0.8237572 42.18298       1.069273  41.75155       1.512594  42.61395       1.511768  -0.6643906     1.647514  
1 1 1 -4  12 43 o 31.92959 0.6949815 10.21517       0.4429395 10.02288       0.6434726 10.38834       0.6106387 -0.5738831     1.389963  
1 1 1 -4  12 44 o 51.98033 0.7481227 27.05862       0.7774501 26.88758       1.113180  27.22150       1.086275  -0.3228378     1.496245  
1 1 1 -4  12 45 o 41.26512 0.7087678 17.01641       0.5836794 15.50068       0.8077828 18.67238       0.8443238 -3.840771      1.417536  
1 1 1 -4  12 46 o 89.46109 1.040242  80.28458       1.861143  80.20953       2.643708  80.35831       2.620552  -0.8561707E-01 2.080484  
1 1 1 -4  12 47 o 37.10276 0.7178347 13.37480       0.5243409 16.38778       0.8348903 11.41234       0.6738003 6.692463       1.435669  
1 1 1 -4  12 48 o 29.79172 0.7454415 8.884235       0.4429703 8.995588       0.6525560 8.789071       0.6032540 0.3422413      1.490883  
1 1 1 -4  12 49 o 96.69130 1.117925  93.53542       2.155869  88.97958       2.919232  99.00104       3.197446  -5.141609      2.235849  
1 1 1 -4  12 50 f 51.47258 0.7723951 26.49899       0.7935458 27.40205       1.166868  25.72198       1.082375  1.623093       1.544790  
1 1 1 -4  12 51 f 32.58241 0.7767813 10.68229       0.5040377 9.659707       0.7185746 11.67275       0.7071956 -3.090439      1.553563  
1 1 1 -4  12 52 f 39.62728 1.141195  15.44229       0.8888723 17.66691       1.425258  14.02627       1.137105  4.542156       2.282390  
1 1 1 -4  12 53 o 27.23010 1.033947  7.204223       0.5359590 6.690824       0.6534375 8.259660       0.9368998 -2.829386      2.067894  
1 1 1 -4  12 54 o 61.35266 1.000253  37.63164       1.224102  34.86042       1.661285  40.92348       1.810622  -4.914547      2.000507  
1 1 1 -4  12 55 o 33.24380 1.049415  11.11448       0.6975806 10.92359       0.9742208 11.31533       0.9993138 -0.5840645     2.098831  
1 1 1 -4  12 56 o 14.94751 1.601528  2.258178       0.4776457 2.477216       0.7005700 2.067917       0.6529297 1.353265       3.203057  
1 1 1 -4  12 57 o 37.56857 1.068242  14.21194       0.8025768 14.00976       1.126292  14.42050       1.143944  -0.5425034     2.136484  
1 1 1 -4  12 58 o 17.00953 1.561969  2.935477       0.5309412 3.063706       0.7695501 2.818990       0.7334765 0.7061348      3.123938  
1 1 1 -4  12 59 o 22.01029 1.316027  4.900942       0.5785075 4.953778       0.8426729 4.853842       0.7956194 0.2115898      2.632055  
1 1 1 -4  12 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  13 1  o 259.4630 2.709403  673.5603       14.05758  680.9438       20.09651  666.4860       19.67116  2.782104       5.418805  
1 1 1 -4  13 2  o 162.7386 1.719165  264.3591       5.585610  273.8443       8.196251  256.1342       7.632352  5.437927       3.438330  
1 1 1 -4  13 3  o 267.6431 2.789647  715.5059       14.90784  739.5960       21.84748  694.5159       20.39330  8.407532       5.579294  
1 1 1 -4  13 4  o 319.4892 3.322858  1021.626       21.22825  1010.599       29.67412  1033.184       30.38090  -3.526306      6.645715  
1 1 1 -4  13 5  f 203.9044 3.028903  414.8350       12.31902  433.4698       18.23916  399.2028       16.70519  8.385925       6.057806  
1 1 1 -4  13 6  o 289.5996 3.016129  839.3204       17.46638  831.3221       24.43238  847.6807       24.97908  -2.818207      6.032259  
1 1 1 -4  13 7  o 214.8789 2.250883  460.6255       9.649376  480.4411       14.26028  443.8896       13.10532  8.495132       4.501766  
1 1 1 -4  13 8  o 362.8793 3.770846  1317.376       27.33947  1286.209       37.66233  1352.094       39.74977  -9.046417      7.541692  
1 1 1 -4  13 9  o 290.6704 3.029055  843.5588       17.56951  878.0361       25.90924  814.2077       23.90559  10.95383       6.058111  
1 1 1 -4  13 10 o 97.57634 1.077765  94.99967       2.099522  98.84633       3.082778  91.67204       2.867268  3.675209       2.155531  
1 1 1 -4  13 11 o 401.9741 4.178515  1615.973       33.52697  1674.854       49.29411  1565.289       45.73433  13.55801       8.357030  
1 1 1 -4  13 12 o 151.5583 1.608073  229.0468       4.861260  239.4058       7.197818  220.3587       6.591806  6.278885       3.216146  
1 1 1 -4  13 13 o 91.05436 1.015644  82.89726       1.849203  84.09492       2.647828  81.75694       2.583687  1.283493       2.031289  
1 1 1 -4  13 14 o 112.4064 1.311912  126.2200       2.943417  137.8919       4.242012  115.3829       4.087525  10.01116       2.623824  
1 1 1 -4  13 15 o 107.6968 1.451252  114.4040       2.888707  111.8758       3.456739  120.2573       5.259597  -3.875404      2.902503  
1 1 1 -4  13 16 o 223.0624 3.308986  496.3233       14.70261  474.8255       19.76223  522.9727       22.00305  -10.74231      6.617972  
1 1 1 -4  13 17 o 138.5020 2.094698  192.0011       5.802289  191.4182       8.175968  192.5925       8.235712  -0.4229889     4.189397  
1 1 1 -4  13 18 o 91.07095 1.439703  81.85557       2.595210  75.68115       3.388929  90.61090       4.035531  -8.189323      2.879407  
1 1 1 -4  13 19 o 123.8635 1.638932  153.0924       3.815412  154.7497       6.668629  152.2858       4.652071  0.9684601      3.277863  
1 1 1 -4  13 20 o 66.56047 0.9698617 44.90596       1.237938  42.15161       2.034002  46.52652       1.560175  -3.289940      1.939723  
1 1 1 -4  13 21 o 276.0761 3.542557  761.1091       18.32330  773.6471       32.25984  755.1375       22.26310  3.071014       7.085113  
1 1 1 -4  13 22 o 36.75964 0.8652949 13.13143       0.6261579 15.81823       0.9990718 11.39331       0.8035612 6.017242       1.730590  
1 1 1 -4  13 23 o 254.4872 3.767568  648.4062       19.13431  673.3092       28.19003  627.1311       26.05580  8.999268       7.535135  
1 1 1 -4  13 24 o 101.6821 1.367361  104.1269       2.653290  105.7754       3.305554  101.1410       4.448734  2.293800       2.734721  
1 1 1 -4  13 25 o 230.6200 2.415770  532.7733       11.14247  533.5938       15.77725  531.9567       15.73849  0.3539734      4.831539  
1 1 1 -4  13 26 o 247.2161 2.586487  612.4408       12.78836  613.5997       18.11975  611.2906       18.05138  0.4650421      5.172973  
1 1 1 -4  13 27 o 98.41010 1.095212  95.84910       2.137249  104.5949       3.291001  89.47034       2.810586  7.678116       2.190423  
1 1 1 -4  13 28 o 66.79845 0.8156764 44.55022       1.088069  46.04717       1.592192  43.23862       1.490374  2.101120       1.631353  
1 1 1 -4  13 29 o 93.08937 1.046828  86.46641       1.945283  83.12934       2.653664  90.34260       2.860001  -3.870979      2.093655  
1 1 1 -4  13 30 o 67.04053 0.8196545 44.64676       1.093542  48.00618       1.649343  42.01158       1.460773  4.468246       1.639309  
1 1 1 -4  13 31 o 131.9960 1.423117  174.4149       3.756599  172.9137       5.271319  175.9641       5.354933  -1.153015      2.846233  
1 1 1 -4  13 32 o 23.63805 0.7062789 5.496608       0.3306028 6.706397       0.5026276 4.574107       0.4389092 4.509239       1.412558  
1 1 1 -4  13 33 o 58.32154 0.7625859 33.97839       0.8886857 32.87780       1.225051  35.20093       1.291134  -1.990265      1.525172  
1 1 1 -4  13 34 o 66.16479 0.8178803 43.54139       1.077621  46.55412       1.617853  41.13881       1.444765  4.087715       1.635761  
1 1 1 -4  13 35 o 88.74458 1.012478  78.77442       1.796132  77.00072       2.492211  80.69135       2.590890  -2.075882      2.024956  
1 1 1 -4  13 36 o 70.87115 0.8563153 50.22823       1.213174  48.92377       1.683964  51.63582       1.749274  -1.911026      1.712631  
1 1 1 -4  13 37 o 110.0031 1.215144  121.2353       2.673337  121.4126       3.793981  121.0604       3.767499  0.1586227      2.430288  
1 1 1 -4  13 38 o 19.06760 0.8100660 3.590675       0.3068586 4.148668       0.4657965 3.162823       0.4078757 2.582825       1.620132  
1 1 1 -4  13 39 o 128.4834 1.976305  166.0531       5.078362  165.3456       7.156258  166.7708       7.207798  -0.5491486     3.952611  
1 1 1 -4  13 40 o 72.00244 0.8757885 51.87820       1.260435  52.72743       1.819599  51.09483       1.747625  1.130112       1.751577  
1 1 1 -4  13 41 o 110.8638 1.230063  122.2909       2.711142  114.9224       3.604231  131.8935       4.114508  -7.611809      2.460125  
1 1 1 -4  13 42 o 79.58881 1.348969  63.57784       2.146841  63.26865       3.062153  63.87671       3.010684  -0.3868637     2.697938  
1 1 1 -4  13 43 f 66.29696 0.8413533 43.80290       1.112604  40.97130       1.508088  47.18485       1.648141  -4.676723      1.682707  
1 1 1 -4  13 44 o 23.67968 0.7757431 5.508334       0.3638555 6.531650       0.5617671 4.768794       0.4775651 3.716574       1.551486  
1 1 1 -4  13 45 o 50.19318 0.7439523 25.23557       0.7467144 25.07777       1.063313  25.38910       1.048863  -0.3112106     1.487905  
1 1 1 -4  13 46 o 78.10732 0.9472190 60.85737       1.475067  57.33599       1.991980  65.13259       2.194866  -4.970528      1.894438  
1 1 1 -4  13 47 o 27.43406 0.7601221 7.527691       0.4152852 7.676095       0.6191460 7.406325       0.5599147 0.4864311      1.520244  
1 1 1 -4  13 48 o 45.55743 0.7500398 20.79636       0.6826026 19.47914       0.9574692 22.15782       0.9734200 -2.938358      1.500080  
1 1 1 -4  13 49 o 31.76196 0.7565866 10.09415       0.4784822 10.27820       0.7138584 9.944011       0.6447576 0.5189857      1.513173  
1 1 1 -4  13 50 f 86.91373 1.485245  76.18275       2.581099  74.00644       3.607352  78.46568       3.694663  -2.546623      2.970490  
1 1 1 -4  13 51 o 45.09412 0.9434999 20.55622       0.8111112 20.90250       1.009791  19.92651       1.361733  1.131428       1.887000  
1 1 1 -4  13 52 o 23.37603 0.8949112 5.352946       0.4131531 6.629789       0.6418859 4.449791       0.5398467 4.647192       1.789822  
1 1 1 -4  13 53 o 37.78504 0.8428628 14.29454       0.6332029 14.03304       0.8471220 14.62564       0.9532033 -0.7683868     1.685726  
1 1 1 -4  13 54 o 41.26037 1.034292  17.01045       0.8506508 15.71176       1.148028  18.59153       1.266714  -3.466587      2.068584  
1 1 1 -4  13 55 o 18.54307 1.379176  3.486113       0.5096104 3.174038       0.7252972 3.790395       0.7161851 -1.664473      2.758353  
1 1 1 -4  13 56 o 30.83490 1.081882  9.574344       0.6670491 9.769843       0.9555721 9.388535       0.9315848 0.6125050      2.163765  
1 1 1 -4  13 57 o 7.675227 2.018771  0.3110307      0.4410486 0.8880413      0.6761044 -0.1164074     0.5819135 3.533340       4.037541  
1 1 1 -4  13 58 o 43.95871 1.088379  19.47572       0.9566071 20.02635       1.371643  18.95428       1.334803  1.209316       2.176759  
1 1 1 -4  13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  14 1  o 247.3200 2.585811  611.9942       12.78721  603.3643       17.84186  621.1088       18.33595  -3.581482      5.171622  
1 1 1 -4  14 2  o 347.9662 5.128106  1214.932       35.68784  1212.048       50.34568  1217.844       50.59570  -0.8268433     10.25621  
1 1 1 -4  14 3  o 285.3660 2.974216  814.8394       16.96686  801.7526       23.56796  828.9189       24.44563  -4.747864      5.948433  
1 1 1 -4  14 4  o 315.8153 3.287400  998.3939       20.75651  1013.583       29.84375  984.1619       28.88785  4.643280       6.574799  
1 1 1 -4  14 5  o 312.6686 3.256303  978.8947       20.36043  986.1503       29.06053  971.8991       28.53466  2.270813       6.512606  
1 1 1 -4  14 6  o 307.5339 3.200279  946.0553       19.66505  969.9137       28.56726  924.5673       27.11101  7.349915       6.400558  
1 1 1 -4  14 7  o 265.2264 2.765897  703.9736       14.66748  713.5330       21.04938  694.9514       20.44953  3.494659       5.531793  
1 1 1 -4  14 8  o 289.8384 3.019985  841.1708       17.50595  843.3457       24.82703  839.0201       24.68787  0.7440186      6.039969  
1 1 1 -4  14 9  o 277.3023 2.890249  769.9377       16.02945  770.4097       22.68448  769.4669       22.65367  0.1695251      5.780499  
1 1 1 -4  14 10 f 210.4094 2.205585  441.5225       9.254075  462.2143       13.73366  424.3145       12.52427  8.991318       4.411169  
1 1 1 -4  14 11 o 298.5735 3.109267  892.7335       18.56398  901.6723       26.53611  884.1657       25.97961  2.921509       6.218533  
1 1 1 -4  14 12 o 275.9092 2.877073  762.1373       15.87182  772.0684       22.76840  752.7492       22.13718  3.489594       5.754147  
1 1 1 -4  14 13 o 330.6153 3.443023  1095.521       22.76596  1091.939       32.08787  1099.151       32.30511  -1.085663      6.886047  
1 1 1 -4  14 14 o 162.9292 1.725077  265.5942       5.620804  263.6250       7.885904  267.6277       8.013668  -1.226730      3.450154  
1 1 1 -4  14 15 o 283.7546 2.958883  806.6981       16.79143  803.1364       23.63721  810.3265       23.85766  -1.261841      5.917765  
1 1 1 -4  14 16 o 190.3032 2.001880  362.4770       7.619148  363.7289       10.81394  361.2429       10.73668  0.6519318      4.003760  
1 1 1 -4  14 17 o 78.28328 0.9684238 61.25705       1.512555  55.58994       2.107255  67.27985       2.172383  -7.465919      1.936848  
1 1 1 -4  14 18 o 197.7565 2.691246  390.3866       10.37767  397.5526       16.71507  385.8918       13.23810  2.875870       5.382492  
1 1 1 -4  14 19 o 109.2224 2.388288  119.3736       5.217091  119.3736       5.217091  ?              ?         ?              ?         
1 1 1 -4  14 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  14 21 o 65.15798 1.584682  42.46936       2.065094  42.46936       2.065094  ?              ?         ?              ?         
1 1 1 -4  14 22 o 61.79491 1.089606  37.76490       1.337273  41.88634       2.043956  34.68037       1.768243  5.827679       2.179212  
1 1 1 -4  14 23 f 157.2074 2.367519  247.3451       7.438076  242.7797       10.28264  252.3558       10.77251  -3.033752      4.735038  
1 1 1 -4  14 24 o 242.2009 3.111590  587.2239       14.16487  591.7147       24.72984  585.0313       17.28043  1.130295       6.223180  
1 1 1 -4  14 25 o 184.2519 2.096874  340.8655       7.687275  330.4131       11.36660  349.6763       10.43584  -5.249985      4.193747  
1 1 1 -4  14 26 o 138.4410 1.485510  190.8336       4.095781  202.0583       6.139750  181.8332       5.497878  7.292343       2.971020  
1 1 1 -4  14 27 o 49.03652 0.6935129 24.04547       0.6799771 23.29253       0.9546293 24.82092       0.9687927 -1.558270      1.387026  
1 1 1 -4  14 28 o 49.28442 0.6986645 24.16963       0.6868858 22.29152       0.9337379 26.38461       1.014028  -4.151608      1.397329  
1 1 1 -4  14 29 o 192.7702 2.034229  372.3886       7.842596  373.6952       11.13599  371.1027       11.04676  0.6691284      4.068459  
1 1 1 -4  14 30 o 114.1613 1.249888  130.2275       2.850085  126.2619       3.912003  134.7133       4.160744  -3.694725      2.499776  
1 1 1 -4  14 31 o 139.9515 1.502593  195.7730       4.199007  189.6144       5.745090  202.8359       6.152397  -4.708664      3.005186  
1 1 1 -4  14 32 o 134.0283 1.446397  179.9382       3.877046  180.5281       5.507779  179.3588       5.458497  0.4341736      2.892794  
1 1 1 -4  14 33 o 109.4794 1.206628  119.9469       2.640883  117.6382       3.669894  122.4263       3.803217  -2.181427      2.413256  
1 1 1 -4  14 34 f 20.17562 0.7638137 4.098320       0.3062526 3.749347       0.4459141 4.409895       0.4213428 -1.637659      1.527627  
1 1 1 -4  14 35 o 92.95439 1.053982  86.04655       1.951014  91.45549       2.927398  81.72407       2.616934  5.220528       2.107964  
1 1 1 -4  14 36 o 105.5574 1.173000  111.4921       2.473910  114.3926       3.595955  108.8856       3.408814  2.598465       2.346000  
1 1 1 -4  14 37 o 53.23405 0.7323511 28.35472       0.7795995 27.66047       1.095053  29.06823       1.110142  -1.321686      1.464702  
1 1 1 -4  14 38 o 85.02013 1.386606  72.19524       2.350899  68.78187       3.180320  76.30726       3.490655  -4.402512      2.773211  
1 1 1 -4  14 39 o 95.22602 1.080230  90.84199       2.057012  91.39155       2.938214  90.31372       2.880747  0.5623627      2.160460  
1 1 1 -4  14 40 o 29.66954 0.6965770 8.826866       0.4118433 8.606927       0.6045638 9.017313       0.5625699 -0.6935558     1.393154  
1 1 1 -4  14 41 o 96.82801 1.105076  93.84220       2.137041  96.52077       3.121902  91.48032       2.931536  2.588043       2.210152  
1 1 1 -4  14 42 o 18.11507 0.9044207 3.175959       0.3190304 4.434016       0.5000055 2.312100       0.4143296 5.850696       1.808841  
1 1 1 -4  14 43 o 22.43869 0.7974390 5.032427       0.3561152 5.144534       0.5331703 4.942132       0.4784996 0.4472275      1.594878  
1 1 1 -4  14 44 o 48.11747 0.7333887 23.00186       0.7018772 24.92125       1.062777  21.51715       0.9347172 3.527943       1.466777  
1 1 1 -4  14 45 o 72.69549 0.9014097 52.79072       1.307958  50.11521       1.782273  55.91348       1.925482  -3.974411      1.802819  
1 1 1 -4  14 46 o 46.24350 0.7396734 21.37834       0.6830084 19.75500       0.9444947 23.15780       0.9888724 -3.675446      1.479347  
1 1 1 -4  14 47 f 50.26754 0.9737988 26.06495       0.9106430 23.34183       1.569997  27.44560       1.117907  -4.135750      1.947598  
1 1 1 -4  14 48 o 37.79655 1.110897  14.38978       0.8364148 13.88488       1.226222  14.82910       1.143812  -1.261433      2.221794  
1 1 1 -4  14 49 o 31.22332 0.9528015 9.721068       0.5648186 9.585619       0.6944962 9.985675       0.9706871 -0.6036434     1.905603  
1 1 1 -4  14 50 o 41.43687 0.7544688 17.20060       0.6242182 17.38655       0.9115720 17.03642       0.8565505 0.4163475      1.508938  
1 1 1 -4  14 51 o 28.87555 0.8189735 8.416251       0.4699905 7.553343       0.6774989 9.216745       0.6525376 -2.883711      1.637947  
1 1 1 -4  14 52 o 59.46545 0.8414867 35.35442       0.9972836 36.99355       1.485843  34.01062       1.345345  2.487274       1.682973  
1 1 1 -4  14 53 o 29.17382 0.9766400 8.329892       0.5585675 7.504734       0.7098896 9.671143       0.9050601 -3.677816      1.953280  
1 1 1 -4  14 54 o 31.30029 1.066891  9.861873       0.6677356 9.662965       0.9466667 10.05882       0.9419923 -0.6333466     2.133781  
1 1 1 -4  14 55 o 31.44764 1.067408  9.950655       0.6709201 10.45951       0.9641299 9.472871       0.9342253 1.561642       2.134815  
1 1 1 -4  14 56 o 32.95650 1.090376  10.72982       0.7110815 13.12914       1.090453  8.954731       0.9379348 6.296215       2.180753  
1 1 1 -4  14 57 f 35.97334 1.074047  13.04383       0.7727348 13.03239       1.094802  13.05520       1.090833  -0.3274155E-01 2.148095  
1 1 1 -4  14 58 f 29.51377 1.140217  8.685990       0.6688185 9.761358       1.017349  7.867467       0.8875796 3.172358       2.280434  
1 1 1 -4  15 1  o 34.72002 0.5986612 12.05545       0.4157057 12.13667       0.5885887 11.97462       0.5872068 0.2333679      1.197322  
1 1 1 -4  15 2  o 159.2638 1.689874  253.2186       5.372947  262.4923       7.888536  245.1936       7.338259  5.425400       3.379748  
1 1 1 -4  15 3  o 229.7388 2.403670  527.8964       11.03700  538.9580       15.96014  517.7584       15.27945  4.604279       4.807340  
1 1 1 -4  15 4  o 281.5728 2.934732  792.7759       16.50526  771.8931       22.66069  816.3734       24.08861  -7.873688      5.869465  
1 1 1 -4  15 5  f 294.9908 3.072628  871.5836       18.12767  874.1334       25.72060  869.0670       25.55301  0.8556519      6.145257  
1 1 1 -4  15 6  o 252.7303 2.639073  639.1900       13.33383  649.7695       19.19362  629.3217       18.53726  4.034683       5.278145  
1 1 1 -4  15 7  o 239.9788 2.508682  576.2250       12.03493  566.4781       16.71482  586.7177       17.34245  -4.206863      5.017364  
1 1 1 -4  15 8  o 371.7653 3.869021  1385.459       28.75773  1405.342       41.31208  1366.767       40.05615  5.155731       7.738042  
1 1 1 -4  15 9  o 223.4132 2.340597  497.2002       10.41394  474.5836       13.97831  525.4113       15.61178  -11.34862      4.681193  
1 1 1 -4  15 10 o 216.0640 2.265445  467.2848       9.788840  463.7028       13.73897  470.9779       13.95048  -1.680054      4.530891  
1 1 1 -4  15 11 o 435.5338 4.532564  1904.974       39.47419  1885.394       55.18669  1925.487       56.48585  -4.557434      9.065127  
1 1 1 -4  15 12 o 60.00910 0.7463484 35.88726       0.8936711 37.85341       1.319966  34.22325       1.214317  3.024044       1.492697  
1 1 1 -4  15 13 o 54.94363 0.7086567 30.14912       0.7780877 29.16343       1.074148  31.23735       1.128637  -1.886997      1.417313  
1 1 1 -4  15 14 o 322.0326 4.142919  1029.807       24.72072  1070.826       44.67254  1011.702       29.67918  8.695374       8.285837  
1 1 1 -4  15 15 o 420.4670 6.216234  1780.548       52.21116  1737.036       71.76771  1829.468       76.09788  -10.78229      12.43247  
1 1 1 -4  15 16 o 161.6792 2.424381  260.8145       7.816506  250.3109       10.57953  273.4402       11.59911  -7.133148      4.848763  
1 1 1 -4  15 17 o 315.2653 4.655864  998.8887       29.35197  1008.661       41.95856  989.5238       41.07544  3.000305       9.311728  
1 1 1 -4  15 18 o 98.57565 1.356226  94.33386       2.429739  90.56889       2.859957  104.1009       4.606381  -6.842972      2.712452  
1 1 1 -4  15 19 o 170.6611 1.804832  291.4695       6.159771  289.3588       8.644153  293.6469       8.779897  -1.254059      3.609663  
1 1 1 -4  15 20 o 60.16701 0.7603601 35.90640       0.9101141 33.43534       1.213125  39.08779       1.376488  -4.696102      1.520720  
1 1 1 -4  15 21 f 295.6465 3.085533  876.4241       18.24316  870.8862       25.61298  882.1266       25.99061  -1.888977      6.171065  
1 1 1 -4  15 22 o 188.0939 1.982916  354.2175       7.459420  353.2676       10.52213  355.1772       10.57650  -0.5064392     3.965833  
1 1 1 -4  15 23 o 248.4540 2.600926  615.5062       12.86808  651.0648       19.30404  587.0696       17.26297  12.81764       5.201852  
1 1 1 -4  15 24 o 65.43773 0.9836113 42.87744       1.218249  42.96544       1.498589  42.70594       2.091918  0.2054672      1.967223  
1 1 1 -4  15 25 o 116.5039 1.795751  135.8843       4.183634  137.2187       5.977777  134.6033       5.857172  1.119385       3.591502  
1 1 1 -4  15 26 o 75.38027 1.253324  56.75702       1.887132  54.88025       2.590702  58.87851       2.754431  -2.648804      2.506647  
1 1 1 -4  15 27 o 72.82886 1.224953  52.73310       1.775828  56.53845       2.673527  49.72864       2.375589  4.668976       2.449906  
1 1 1 -4  15 28 o 199.5544 2.981423  400.1830       11.89740  396.4683       16.65686  404.0520       16.99930  -1.879425      5.962846  
1 1 1 -4  15 29 f 132.0709 1.754826  173.0137       4.305462  179.5171       7.741124  170.1010       5.180678  3.463181       3.509651  
1 1 1 -4  15 30 o 185.5821 2.394764  348.2223       8.478971  337.8896       14.21496  353.9289       10.56404  -4.546768      4.789529  
1 1 1 -4  15 31 o 98.28986 1.101699  96.68904       2.165379  95.51983       3.029886  97.90968       3.095795  -1.213478      2.203398  
1 1 1 -4  15 32 o 32.20382 0.6762848 10.22949       0.4301471 8.190018       0.5751225 12.81875       0.6480207 -7.184980      1.352570  
1 1 1 -4  15 33 o 47.08984 0.6903813 22.11397       0.6487059 23.20923       0.9576601 21.18526       0.8818402 2.147087       1.380763  
1 1 1 -4  15 34 o 126.9286 1.378893  160.6643       3.485432  170.0673       5.226977  153.1358       4.677036  6.636322       2.757786  
1 1 1 -4  15 35 o 169.0519 1.802326  286.4720       6.083887  295.9360       8.911481  278.2104       8.326143  5.193710       3.604652  
1 1 1 -4  15 36 o 58.34359 0.7695291 33.97357       0.8960541 35.47741       1.320006  32.68837       1.220284  2.386307       1.539058  
1 1 1 -4  15 37 o 34.12317 0.9213894 11.40820       0.6217918 9.562811       0.8160378 13.96276       0.9601201 -6.439983      1.842779  
1 1 1 -4  15 38 o 36.85165 0.6743349 13.55436       0.4958046 14.08793       0.7320898 13.10228       0.6738700 1.335037       1.348670  
1 1 1 -4  15 39 o 39.47829 0.6898942 15.09962       0.5353919 18.55544       0.8585154 12.90027       0.6848865 7.154190       1.379788  
1 1 1 -4  15 40 o 20.68905 0.8104002 4.285491       0.3312632 4.288919       0.5097791 4.282985       0.4358207 0.1015091E-01  1.620800  
1 1 1 -4  15 41 o 7.233541 1.654589  0.4799088      0.2756270 0.6875706      0.4233140 0.3270755      0.3631559 1.940843       3.309178  
1 1 1 -4  15 42 o 45.19067 0.7180541 20.42148       0.6474530 20.81714       0.9527825 20.08203       0.8825222 0.8089485      1.436108  
1 1 1 -4  15 43 f 67.80878 0.8607842 45.94584       1.164538  47.86076       1.720074  44.32532       1.582345  2.595139       1.721568  
1 1 1 -4  15 44 o 55.07917 0.7779174 30.35625       0.8562917 28.78102       1.190174  32.04666       1.232916  -2.960983      1.555835  
1 1 1 -4  15 45 o 56.78669 1.007440  31.34920       1.026752  34.63281       1.987725  30.15422       1.199114  3.853741       2.014881  
1 1 1 -4  15 46 o 54.70906 1.151061  30.09314       1.258452  29.34137       1.801391  30.80978       1.758813  -1.348152      2.302123  
1 1 1 -4  15 47 o 45.66661 0.7540034 20.91120       0.6875989 20.67749       0.9973962 21.12288       0.9492154 -0.4925423     1.508007  
1 1 1 -4  15 48 f 30.72897 0.7719049 9.509879       0.4711489 8.243766       0.6670566 10.77030       0.6655564 -4.111170      1.543810  
1 1 1 -4  15 49 o 5.386592 1.623676  -0.4668963E-01 0.3089290 0.1510679      0.4766815 -0.1898999     0.4056476 1.451030       3.247353  
1 1 1 -4  15 50 o 107.5024 1.226382  116.2511       2.635015  113.0227       3.645767  119.7822       3.812789  -3.110146      2.452763  
1 1 1 -4  15 51 o 61.20787 0.8529378 37.59794       1.043441  37.65296       1.503689  37.54685       1.449121  0.7847977E-01  1.705876  
1 1 1 -4  15 52 o 29.89706 0.9603719 9.188280       0.5606593 10.42225       0.7520673 7.644562       0.8411791 4.660622       1.920744  
1 1 1 -4  15 53 o 9.397720 2.054132  0.8825812      0.4241857 1.084600       0.6451485 0.7287406      0.5629883 1.582279       4.108263  
1 1 1 -4  15 54 o 18.48571 1.319108  3.448702       0.4872307 3.665601       0.7022315 3.247358       0.6765808 1.123997       2.638215  
1 1 1 -4  15 55 o 33.52312 1.077478  11.31996       0.7189767 9.907086       1.001152  12.82467       1.033177  -4.344023      2.154956  
1 1 1 -4  15 56 o 43.05814 1.063673  18.66966       0.9157256 18.15343       1.277372  19.21545       1.313444  -1.224140      2.127347  
1 1 1 -4  15 57 o 16.15899 1.738865  2.787967       0.5130488 1.561675       0.7078622 4.145056       0.7446565 -8.161586      3.477730  
1 1 1 -4  15 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  16 1  f 248.9875 2.601859  619.7473       12.93666  640.1300       18.93425  601.9016       17.71678  7.652222       5.203719  
1 1 1 -4  16 2  o 426.4698 4.440137  1825.870       37.85742  1852.689       54.43379  1800.746       52.68594  6.029724       8.880275  
1 1 1 -4  16 3  o 49.10451 0.6692715 23.38610       0.6457973 20.35439       0.8246415 28.19402       1.038486  -7.981476      1.338543  
1 1 1 -4  16 4  o 227.5393 2.381721  517.7281       10.82691  531.9504       15.75781  505.0100       14.90119  5.903946       4.763442  
1 1 1 -4  16 5  o 209.7160 2.199428  439.5237       9.211480  427.1383       12.62323  453.6311       13.47217  -6.301575      4.398856  
1 1 1 -4  16 6  o 178.8598 1.893790  320.1169       6.773520  317.2676       9.485318  323.0818       9.675932  -1.622437      3.787581  
1 1 1 -4  16 7  o 226.1824 2.369715  512.1810       10.71870  508.2277       15.03292  516.2692       15.28735  -1.772812      4.739429  
1 1 1 -4  16 8  o 233.1286 2.439261  543.0532       11.35195  526.2228       15.49803  562.5361       16.67462  -7.765121      4.878523  
1 1 1 -4  16 9  o 211.4887 2.219087  447.7551       9.385959  449.9062       13.33582  445.6435       13.21253  1.005600       4.438173  
1 1 1 -4  16 10 o 70.46844 0.8370373 48.69045       1.163876  44.06898       1.503671  55.59706       1.838210  -8.177399      1.674075  
1 1 1 -4  16 11 o 126.7104 1.673946  160.0025       3.979031  162.5291       6.988431  158.7905       4.840208  1.447662       3.347891  
1 1 1 -4  16 12 o 340.2368 5.024163  1161.771       34.12909  1126.799       46.65651  1202.021       50.05404  -10.92035      10.04833  
1 1 1 -4  16 13 o 179.8031 2.682296  323.7205       9.643091  319.4908       13.45072  328.1934       13.83206  -2.411682      5.364591  
1 1 1 -4  16 14 o 153.0562 1.981512  236.2894       5.802624  240.8642       7.258475  228.1886       9.658764  4.180969       3.963023  
1 1 1 -4  16 15 o 205.4873 2.159366  420.1391       8.827924  447.2376       13.32586  398.9457       11.78483  11.72095       4.318732  
1 1 1 -4  16 16 o 129.0426 1.389308  166.3136       3.580471  171.7666       5.234316  161.5183       4.908476  3.966743       2.778617  
1 1 1 -4  16 17 o 132.1018 1.420483  174.5702       3.752402  172.7995       5.252021  176.4165       5.363119  -1.367508      2.840966  
1 1 1 -4  16 18 o 358.9692 3.740882  1293.522       26.85417  1283.077       37.63965  1304.350       38.32467  -2.937378      7.481764  
1 1 1 -4  16 19 o 494.3693 5.161655  2462.576       51.01943  2429.209       71.09942  2497.996       73.25352  -6.839508      10.32331  
1 1 1 -4  16 20 o 254.0997 2.657589  646.8655       13.50169  655.7538       19.38343  638.4885       18.81768  3.380722       5.315178  
1 1 1 -4  16 21 o 126.4352 1.366660  159.6119       3.449770  154.5064       4.713408  165.5021       5.062724  -4.342781      2.733319  
1 1 1 -4  16 22 o 262.0007 2.740666  687.9774       14.35561  698.7112       20.64648  677.9314       19.97402  3.942383       5.481332  
1 1 1 -4  16 23 o 130.1314 1.403209  169.1347       3.646204  163.7909       4.989607  175.2584       5.341368  -4.399078      2.806417  
1 1 1 -4  16 24 o 287.4782 3.005914  828.8987       17.26725  810.5728       23.82508  849.1753       25.06094  -6.655518      6.011828  
1 1 1 -4  16 25 o 157.4877 1.677927  248.2357       5.282971  244.3551       7.348259  252.3875       7.600630  -2.543060      3.355855  
1 1 1 -4  16 26 o 151.8612 1.621380  229.5580       4.900152  217.8317       6.550536  244.4572       7.383767  -8.740082      3.242760  
1 1 1 -4  16 27 o 119.4056 1.300937  142.7107       3.106481  141.4837       4.356604  143.9799       4.430791  -1.043137      2.601875  
1 1 1 -4  16 28 o 110.5431 1.215274  122.0925       2.682611  126.2803       3.927691  118.4309       3.672703  3.542694       2.430548  
1 1 1 -4  16 29 o 31.87369 0.7882589 10.49754       0.4862317 12.23923       0.6498291 8.282000       0.7329146 6.209515       1.576518  
1 1 1 -4  16 30 o 76.04041 1.095222  58.32861       1.595612  59.47694       1.999558  56.31543       2.647525  2.101761       2.190444  
1 1 1 -4  16 31 o 156.0788 2.359885  244.9105       7.365883  246.7944       10.50245  243.0868       10.33347  1.173904       4.719769  
1 1 1 -4  16 32 o 105.7715 1.656972  112.1717       3.503733  114.1480       5.043776  110.3287       4.870804  1.793739       3.313943  
1 1 1 -4  16 33 o 65.12015 1.141205  41.69142       1.467547  47.39364       2.309455  37.82938       1.900622  7.322525       2.282410  
1 1 1 -4  16 34 f 50.18469 0.9992644 25.21567       1.002882  24.81424       1.409792  25.62692       1.426942  -0.8088760     1.998529  
1 1 1 -4  16 35 o 57.43681 0.9307268 32.42883       0.9904684 34.62435       1.801520  31.47766       1.185765  2.709805       1.861454  
1 1 1 -4  16 36 o 69.44592 1.199466  48.17984       1.662480  46.04331       2.263483  50.68248       2.449752  -3.327873      2.398932  
1 1 1 -4  16 37 f 118.5320 1.304092  140.9039       3.091511  140.2294       4.363427  141.5836       4.380737  -0.5698700     2.608184  
1 1 1 -4  16 38 o 65.85081 0.8338435 43.26494       1.094910  45.38147       1.625565  41.50732       1.481337  2.933228       1.667687  
1 1 1 -4  16 39 o 43.09038 0.7026203 18.54201       0.6042482 19.23592       0.8896236 17.94770       0.8232974 1.491478       1.405241  
1 1 1 -4  16 40 o 26.54600 0.7651669 7.067851       0.3999673 5.520615       0.5518554 8.779937       0.5805101 -6.137253      1.530334  
1 1 1 -4  16 41 o 25.96058 0.7568222 6.771410       0.3909884 6.494509       0.5755900 7.008646       0.5327713 -0.9930782     1.513644  
1 1 1 -4  16 42 o 23.30094 0.8049903 5.310578       0.3704054 6.614098       0.5737899 4.379271       0.4849985 4.788408       1.609981  
1 1 1 -4  16 43 o 110.8910 1.773913  124.1292       3.934000  123.8008       5.588817  124.4517       5.538554  -0.3029175     3.547826  
1 1 1 -4  16 44 o 52.11692 1.115520  26.78239       1.146919  30.19249       1.811380  24.50036       1.481790  5.418602       2.231040  
1 1 1 -4  16 45 o 49.92277 0.7609403 24.97715       0.7593934 23.98475       1.070308  25.98314       1.077618  -2.000786      1.521881  
1 1 1 -4  16 46 o 18.44771 0.9501627 3.362384       0.3478447 3.900512       0.5323907 2.961560       0.4594775 2.535561       1.900325  
1 1 1 -4  16 47 o 30.23711 0.7712069 9.228102       0.4630767 8.208818       0.6677875 10.17227       0.6427107 -3.249456      1.542414  
1 1 1 -4  16 48 o 56.01773 0.8069608 31.33257       0.9004959 32.88427       1.346380  30.07662       1.211292  2.490032       1.613922  
1 1 1 -4  16 49 f 122.0813 1.364455  150.1109       3.328348  145.7277       4.587207  154.9839       4.836685  -3.735435      2.728909  
1 1 1 -4  16 50 o 13.70279 1.405337  1.960386       0.3670655 1.678926       0.5539693 2.180683       0.4900970 -2.027229      2.810674  
1 1 1 -4  16 51 o 59.17776 0.9009659 35.06610       1.059906  34.30580       1.416150  36.03441       1.598167  -1.431057      1.801932  
1 1 1 -4  16 52 o 56.70094 1.138163  32.35999       1.290268  31.41161       1.798248  33.36634       1.852384  -1.711609      2.276327  
1 1 1 -4  16 53 o 49.59650 1.086296  24.75540       1.077166  23.92412       1.503863  25.63118       1.543601  -1.711895      2.172591  
1 1 1 -4  16 54 o 27.46189 1.136918  7.604947       0.6231306 7.560657       0.9096758 7.644102       0.8553139 -0.1655464     2.273836  
1 1 1 -4  16 55 o 22.97705 1.237930  5.387064       0.5625659 4.593959       0.8102393 6.125290       0.7817042 -3.340458      2.475859  
1 1 1 -4  16 56 o 32.08190 1.146384  10.39551       0.7350175 10.14692       1.051497  10.63305       1.027850  -0.7644405     2.292768  
1 1 1 -4  16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  17 1  o 120.6424 1.304346  145.4449       3.144480  149.1707       4.562280  142.0734       4.339976  2.939240       2.608693  
1 1 1 -4  17 2  o 225.4436 2.364007  507.1133       10.62764  487.3770       14.38465  530.8348       15.77026  -9.612793      4.728015  
1 1 1 -4  17 3  o 402.7214 4.191678  1628.095       33.76103  1632.656       47.90532  1623.595       47.58688  1.114624       8.383355  
1 1 1 -4  17 4  o 175.8565 1.860824  308.0865       6.518839  324.6195       9.750799  294.7253       8.765739  8.485291       3.721649  
1 1 1 -4  17 5  o 240.3260 2.514230  577.9060       12.07605  590.1910       17.47701  566.6818       16.70535  4.875885       5.028461  
1 1 1 -4  17 6  o 87.29326 0.9871840 76.13534       1.722081  74.29247       2.377928  78.16776       2.497230  -2.218758      1.974368  
1 1 1 -4  17 7  o 25.06227 0.7893953 6.451813       0.3794812 5.621775       0.6088892 6.978982       0.4852487 -2.708439      1.578791  
1 1 1 -4  17 8  o 179.1611 2.672260  321.0902       9.564512  330.2009       13.92822  312.9602       13.15721  4.794495       5.344521  
1 1 1 -4  17 9  o 195.0929 2.902920  381.3475       11.32583  378.7619       15.89491  384.0141       16.14224  -1.339966      5.805840  
1 1 1 -4  17 10 o 189.2733 2.819865  358.9308       10.67413  356.9211       15.01954  360.9816       15.17264  -1.068878      5.639730  
1 1 1 -4  17 11 o 131.1472 1.735010  170.0336       4.217672  166.6695       5.061773  177.6737       7.628119  -4.156097      3.470019  
1 1 1 -4  17 12 f 128.3579 1.382331  164.8271       3.548458  163.8250       4.986248  165.8553       5.050932  -0.7900238     2.764663  
1 1 1 -4  17 13 o 272.8064 2.849407  744.5266       15.52326  768.3898       22.71097  723.6021       21.26656  8.170319       5.698814  
1 1 1 -4  17 14 o 117.1812 1.275080  136.2227       2.968152  128.0995       3.932590  146.9757       4.524595  -8.046997      2.550161  
1 1 1 -4  17 15 o 109.8047 1.205015  120.6158       2.646231  120.0576       3.723449  121.1855       3.761514  -0.5131149     2.410030  
1 1 1 -4  17 16 o 102.7646 1.137303  104.7692       2.322437  98.41209       3.080776  113.1375       3.534651  -7.159180      2.274607  
1 1 1 -4  17 17 o 167.7558 1.778504  281.6906       5.966968  280.8264       8.407152  282.5678       8.470337  -0.5178070     3.557009  
1 1 1 -4  17 18 o 184.8074 1.951733  341.1868       7.200311  330.1549       9.827837  353.9698       10.57918  -6.426392      3.903466  
1 1 1 -4  17 19 o 220.7850 2.316864  488.3557       10.23057  488.0136       14.45859  488.6985       14.47785  -0.1545715     4.633728  
1 1 1 -4  17 20 o 98.86545 1.101758  97.77275       2.178241  98.71340       3.110342  96.86736       3.051497  0.9327621      2.203515  
1 1 1 -4  17 21 o 184.6873 1.950477  341.1461       7.195953  332.1831       9.890704  351.2259       10.48884  -5.138107      3.900955  
1 1 1 -4  17 22 o 164.1778 1.744818  269.6692       5.724943  263.9588       7.915075  275.9341       8.290554  -3.636612      3.489636  
1 1 1 -4  17 23 o 126.0247 1.367374  158.4354       3.437165  152.2008       4.659734  165.8762       5.090559  -5.415672      2.734747  
1 1 1 -4  17 24 o 117.3166 1.279703  137.7204       3.002018  136.0290       4.195459  139.4950       4.297364  -1.474625      2.559407  
1 1 1 -4  17 25 o 83.73300 0.9642894 69.80426       1.609409  66.12943       2.170134  74.29566       2.399156  -4.871445      1.928579  
1 1 1 -4  17 26 o 60.67408 0.7759357 36.81429       0.9412613 37.35120       1.352441  36.30991       1.310824  0.8573151      1.551871  
1 1 1 -4  17 27 f 169.0140 1.794937  286.2626       6.065277  281.9283       8.444545  290.8812       8.717143  -2.634827      3.589873  
1 1 1 -4  17 28 f 44.82471 0.6816668 19.88638       0.6070520 21.96197       0.9260542 18.32242       0.8038579 4.057102       1.363334  
1 1 1 -4  17 29 o 152.9856 1.635641  234.5850       5.003522  231.7796       6.989636  237.5335       7.165748  -1.870773      3.271283  
1 1 1 -4  17 30 f 59.26805 0.7699858 35.14798       0.9125500 35.22328       1.303496  35.07560       1.277965  0.1238365      1.539972  
1 1 1 -4  17 31 o 50.88625 0.7138376 25.82823       0.7248526 27.09522       1.069636  24.75229       0.9856943 2.299496       1.427675  
1 1 1 -4  17 32 o 56.38142 0.7531645 31.41031       0.8434809 28.38609       1.116364  35.43344       1.287603  -6.243755      1.506329  
1 1 1 -4  17 33 o 14.90196 0.9687512 2.260947       0.2838278 1.935040       0.4211506 2.532144       0.3841784 -2.005199      1.937502  
1 1 1 -4  17 34 f 21.62588 0.7767202 4.610291       0.3323960 5.677961       0.5025981 3.780249       0.4431517 4.385138       1.553440  
1 1 1 -4  17 35 f 186.3660 2.817621  351.6908       10.50166  349.6414       14.76412  353.7895       14.94064  -1.084915      5.635242  
1 1 1 -4  17 36 o 82.90639 1.208617  66.26183       1.820512  62.85273       2.137591  75.26454       3.473686  -7.383430      2.417235  
1 1 1 -4  17 37 o 97.08650 1.555722  94.45959       3.014979  90.87443       4.111957  98.62805       4.433865  -3.957954      3.111443  
1 1 1 -4  17 38 o 58.99614 1.098668  34.88855       1.296222  35.18999       1.848485  34.59692       1.818160  0.5001869      2.197335  
1 1 1 -4  17 39 o 13.50461 1.814658  1.919353       0.4725227 2.230563       0.6381196 1.541544       0.7030909 2.780901       3.629316  
1 1 1 -4  17 40 o 108.9471 2.440782  0.000000       0.000000  ?              ?         119.5996       5.318319  ?              ?         
1 1 1 -4  17 41 o 50.41422 1.495503  0.000000       0.000000  ?              ?         25.49825       1.507892  ?              ?         
1 1 1 -4  17 42 f 55.50636 0.9729720 30.43796       1.013615  29.60440       1.228032  32.21975       1.795434  -2.297554      1.945944  
1 1 1 -4  17 43 o 82.76791 0.9886895 68.72841       1.636564  68.27238       2.320000  69.18010       2.308940  -0.5496292     1.977379  
1 1 1 -4  17 44 o 31.54102 0.7518069 10.03046       0.4711532 8.909566       0.6764576 11.08653       0.6566083 -3.452881      1.503614  
1 1 1 -4  17 45 o 35.92373 0.7377529 12.84143       0.5272325 13.78214       0.7968690 12.10902       0.7031357 2.319363       1.475506  
1 1 1 -4  17 46 o 34.06337 0.7543240 11.42487       0.5080755 12.99309       0.7948972 10.34165       0.6606412 3.877621       1.508648  
1 1 1 -4  17 47 o 59.85165 0.8321231 35.93600       0.9957379 35.39406       1.419932  36.46037       1.396727  -0.8936272     1.664246  
1 1 1 -4  17 48 o 31.47868 0.7844806 9.991701       0.4911553 9.155107       0.7120004 10.75123       0.6784130 -2.539532      1.568961  
1 1 1 -4  17 49 o 48.16098 0.7893388 23.28917       0.7593566 22.72552       1.093393  23.81433       1.055399  -1.135658      1.578678  
1 1 1 -4  17 50 o 52.10370 0.8597003 27.19176       0.8926419 26.60028       1.206416  27.90735       1.326947  -1.235706      1.719401  
1 1 1 -4  17 51 o 39.22439 0.9768835 15.53129       0.7627071 16.34193       1.047198  14.61544       1.113075  2.213360       1.953767  
1 1 1 -4  17 52 o 41.12051 1.043244  17.01167       0.8574350 16.18995       1.201505  17.86446       1.224001  -2.031235      2.086488  
1 1 1 -4  17 53 o 15.50021 1.495226  2.423315       0.4622868 2.659953       0.6819685 2.222132       0.6288070 1.394747       2.990452  
1 1 1 -4  17 54 o 48.40881 1.092192  23.34863       1.050530  21.32664       1.391882  26.02519       1.601403  -4.799992      2.184383  
1 1 1 -4  17 55 o 36.44809 1.101044  13.32284       0.8002724 14.50607       1.187113  12.33718       1.083485  2.946495       2.202088  
1 1 1 -4  17 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  18 1  o 219.7588 2.304705  483.1975       10.12253  473.5141       14.00575  493.7872       14.64657  -4.599167      4.609410  
1 1 1 -4  18 2  o 60.33463 0.7579131 36.37512       0.9141081 37.45895       1.318523  35.37209       1.268420  1.729061       1.515826  
1 1 1 -4  18 3  o 131.2858 1.712344  174.2312       4.319510  166.0524       7.095411  179.0472       5.444695  -4.974380      3.424688  
1 1 1 -4  18 4  o 90.70959 1.433162  82.30848       2.599607  81.41460       3.636984  83.24219       3.717125  -1.006332      2.866324  
1 1 1 -4  18 5  o 166.0103 2.484241  275.7488       8.240993  269.5917       11.37338  282.5548       11.95761  -3.891006      4.968482  
1 1 1 -4  18 6  o 103.3189 1.608291  105.7455       3.296067  114.9504       5.065917  98.98827       4.340415  7.713890       3.216582  
1 1 1 -4  18 7  o 174.0964 2.264815  300.8506       7.339771  296.3585       8.850842  310.7421       13.13388  -4.041687      4.529629  
1 1 1 -4  18 8  o 190.3154 2.005055  361.2915       7.608675  378.5471       11.29977  346.9784       10.29137  8.274582       4.010109  
1 1 1 -4  18 9  o 178.7781 1.890095  319.9165       6.757880  321.2982       9.608016  318.5637       9.506956  0.7629242      3.780190  
1 1 1 -4  18 10 o 227.8203 2.388295  519.3652       10.87306  531.3540       15.76401  508.4860       15.01683  5.001053       4.776590  
1 1 1 -4  18 11 o 206.6454 2.171038  427.4023       8.968925  434.3748       12.90958  420.8969       12.46981  3.251282       4.342077  
1 1 1 -4  18 12 o 160.9586 1.709556  258.1980       5.483734  271.8636       8.179572  247.0414       7.390641  7.696442       3.419111  
1 1 1 -4  18 13 o 27.61471 0.6757841 7.441326       0.3669798 9.694698       0.5659661 5.806628       0.4820508 7.039240       1.351568  
1 1 1 -4  18 14 o 46.40528 0.6840327 21.27495       0.6305789 19.30178       0.8348399 23.89613       0.9622083 -4.949257      1.368065  
1 1 1 -4  18 15 f 50.56490 0.7062830 24.60471       0.6988361 21.06880       0.8835784 30.51169       1.142029  -9.335270      1.412566  
1 1 1 -4  18 16 o 202.9469 2.134938  412.5232       8.665545  411.8949       12.23302  413.1562       12.27696  -0.3095856     4.269877  
1 1 1 -4  18 17 o 175.2639 1.854568  307.0440       6.491396  298.3802       8.898545  316.8988       9.490458  -5.268524      3.709136  
1 1 1 -4  18 18 o 179.1201 1.893676  321.0021       6.778349  314.0667       9.361752  328.6444       9.827248  -4.056427      3.787352  
1 1 1 -4  18 19 o 110.1641 1.210727  121.3413       2.665849  118.8466       3.690986  124.0620       3.854486  -2.364037      2.421454  
1 1 1 -4  18 20 o 100.6685 1.122291  101.1902       2.255988  97.88799       3.087008  104.9753       3.305037  -3.516106      2.244581  
1 1 1 -4  18 21 o 185.9334 1.965054  345.9228       7.299121  337.1305       10.04037  355.7778       10.62987  -4.993652      3.930108  
1 1 1 -4  18 22 o 108.5425 1.196421  117.4275       2.588658  123.6470       3.854110  112.3155       3.494136  5.210983       2.392843  
1 1 1 -4  18 23 o 92.57263 1.046178  85.70278       1.935977  87.38847       2.791674  84.14101       2.687089  1.751534       2.092356  
1 1 1 -4  18 24 o 66.17348 0.8798542 43.90757       1.161327  47.37345       1.636511  40.39167       1.648279  5.275616       1.759708  
1 1 1 -4  18 25 o 79.25763 0.9260192 62.84581       1.467697  61.87916       2.056009  63.85028       2.095838  -1.242455      1.852038  
1 1 1 -4  18 26 o 121.8760 1.325985  148.5290       3.227699  153.2345       4.714751  144.3785       4.428040  3.621063       2.651969  
1 1 1 -4  18 27 o 73.17628 0.8777331 53.33758       1.279993  56.43282       1.910215  50.81528       1.724382  3.832848       1.755466  
1 1 1 -4  18 28 o 89.55426 1.021034  80.02278       1.824499  76.62414       2.479497  84.03590       2.694333  -4.130013      2.042067  
1 1 1 -4  18 29 o 19.88771 0.7785242 3.965183       0.3082156 3.880693       0.4558596 4.036330       0.4183211 -0.3925457     1.557048  
1 1 1 -4  18 30 o 52.55771 0.7291898 27.60595       0.7655306 28.32640       1.116162  26.96602       1.051938  1.292053       1.458380  
1 1 1 -4  18 31 o 84.85948 0.9839846 71.89950       1.666846  68.89720       2.273457  75.38934       2.451107  -3.816772      1.967969  
1 1 1 -4  18 32 o 69.52412 0.8546323 48.35082       1.187486  49.31933       1.718674  47.46613       1.642624  1.329376       1.709265  
1 1 1 -4  18 33 o 51.12962 0.7279081 26.16969       0.7440946 25.90977       1.063299  26.41915       1.041652  -0.4989929     1.455816  
1 1 1 -4  18 34 o 151.5409 2.310022  231.6946       7.000965  230.4620       9.846926  232.9545       9.955688  -0.8074493     4.620044  
1 1 1 -4  18 35 o 24.49385 0.7578773 6.050917       0.3683956 5.323172       0.5301931 6.730238       0.5122503 -2.873209      1.515755  
1 1 1 -4  18 36 o 142.0364 1.537679  202.5392       4.365333  206.6651       6.309794  198.7514       6.045698  2.757339       3.075359  
1 1 1 -4  18 37 o 75.49146 0.9163935 56.79104       1.379260  53.36225       1.862508  60.95476       2.052429  -5.015129      1.832787  
1 1 1 -4  18 38 o 78.03865 1.342837  60.84169       2.089772  56.95479       2.827030  65.52441       3.102973  -5.459122      2.685675  
1 1 1 -4  18 39 o 112.1926 1.783860  126.8545       4.001124  123.9311       5.563167  129.9871       5.758790  -2.665962      3.567720  
1 1 1 -4  18 40 o 46.47733 0.7400604 21.23005       0.6814216 18.26028       0.8962636 25.29838       1.049016  -7.559780      1.480121  
1 1 1 -4  18 41 o 85.75735 1.014925  73.74603       1.740083  74.83158       2.502186  72.72939       2.421496  1.216743       2.029849  
1 1 1 -4  18 42 o 83.02924 1.218946  67.77505       1.873193  65.43295       2.238437  73.24739       3.421597  -4.536911      2.437891  
1 1 1 -4  18 43 o 33.49801 0.9833318 11.25520       0.6579444 10.48606       0.9193403 12.06275       0.9420221 -2.350540      1.966664  
1 1 1 -4  18 44 o 51.68993 1.062154  26.43533       1.089107  23.74018       1.433245  30.11821       1.675414  -6.134563      2.124308  
1 1 1 -4  18 45 o 29.79695 1.016193  8.760239       0.5999905 10.54611       0.9166871 7.421793       0.7935918 5.224834       2.032387  
1 1 1 -4  18 46 o 48.02966 1.048284  22.96637       1.002358  20.88752       1.343065  25.58012       1.505978  -4.859871      2.096568  
1 1 1 -4  18 47 o 47.22604 1.044412  22.09699       0.9789400 25.17966       1.501017  19.81529       1.291375  5.643150       2.088825  
1 1 1 -4  18 48 o 34.47291 0.9133806 11.93423       0.5961459 11.93003       1.023527  11.93639       0.7333823 -0.5528641E-01 1.826761  
1 1 1 -4  18 49 o 65.12637 0.9402810 42.63585       1.220774  42.99894       1.664833  42.21356       1.795425  0.6250458      1.880562  
1 1 1 -4  18 50 o 73.42528 1.204000  54.46740       1.748778  55.19892       2.317702  53.50040       2.664747  1.238396       2.408001  
1 1 1 -4  18 51 o 40.69199 1.053576  16.63124       0.8565142 17.64610       1.243368  15.71473       1.181581  2.359638       2.107151  
1 1 1 -4  18 52 o 12.04240 1.866379  1.573726       0.4588774 0.8044896      0.6648641 2.273483       0.6341277 -5.862202      3.732758  
1 1 1 -4  18 53 o 33.40543 1.077625  11.24477       0.7195605 10.75702       1.013058  11.74138       1.022228  -1.471077      2.155250  
1 1 1 -4  18 54 f 41.22298 1.072969  17.10656       0.8836632 17.68482       1.286600  16.59020       1.215781  1.308487       2.145937  
1 1 1 -4  18 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  19 1  o 39.88949 0.9062853 15.80958       0.7205111 14.27053       0.9762956 17.65046       1.067748  -4.235744      1.812571  
1 1 1 -4  19 2  o 268.8118 3.978160  725.5438       21.37523  712.5638       29.63455  739.6203       30.86100  -4.980835      7.956319  
1 1 1 -4  19 3  o 197.5596 2.551800  389.5189       9.450859  386.6650       11.49044  395.4872       16.61636  -2.095764      5.103600  
1 1 1 -4  19 4  o 72.33914 0.8606823 52.28979       1.244152  51.17477       1.717533  53.52085       1.804694  -1.620781      1.721365  
1 1 1 -4  19 5  o 149.8956 1.598330  224.3125       4.782035  233.1474       7.035554  216.7261       6.519526  5.468704       3.196660  
1 1 1 -4  19 6  o 132.4856 1.425943  175.0293       3.767501  168.1517       5.101628  183.2794       5.587571  -5.701660      2.851886  
1 1 1 -4  19 7  o 163.1635 1.732290  264.1945       5.612501  284.8648       8.573442  248.6931       7.424507  11.06261       3.464580  
1 1 1 -4  19 8  o 150.4905 1.604853  226.6319       4.829836  224.8978       6.774250  228.4246       6.888011  -1.169754      3.209706  
1 1 1 -4  19 9  f 323.7311 3.377198  1049.638       21.82631  1086.914       32.04250  1017.370       29.81218  10.65567       6.754396  
1 1 1 -4  19 10 o 94.62462 1.062168  89.50924       2.009060  91.37380       2.899266  87.78683       2.786565  1.893982       2.124336  
1 1 1 -4  19 11 o 256.7568 2.686606  660.0994       13.78241  644.9906       18.99301  676.9046       20.03092  -6.181442      5.373213  
1 1 1 -4  19 12 o 171.0717 1.812850  292.8202       6.199492  287.7561       8.606876  298.2805       8.937264  -3.068527      3.625699  
1 1 1 -4  19 13 o 127.2929 1.376794  162.0679       3.503756  164.9434       5.040709  159.3798       4.873631  2.182281       2.753587  
1 1 1 -4  19 14 o 12.32583 1.138257  1.516522       0.2791530 1.313195       0.3849542 1.742024       0.4054030 -1.739222      2.276514  
1 1 1 -4  19 15 o 155.3209 1.654520  241.5202       5.139440  242.6549       7.305967  240.4086       7.231142  0.7212677      3.309040  
1 1 1 -4  19 16 o 159.2624 1.694570  253.5043       5.389283  262.0157       7.888817  246.0559       7.379814  4.996796       3.389139  
1 1 1 -4  19 17 o 199.0852 2.097497  397.1481       8.351315  399.0945       11.87092  395.2410       11.75108  0.9636383      4.194995  
1 1 1 -4  19 18 o 67.72547 0.8291008 45.88111       1.122990  46.16418       1.595905  45.60348       1.580501  0.4137268      1.658202  
1 1 1 -4  19 19 o 50.79865 0.7114633 25.70754       0.7212614 24.19479       0.9816162 27.48256       1.063310  -3.234905      1.422927  
1 1 1 -4  19 20 o 79.65852 0.9305467 63.25546       1.478773  60.37309       2.006303  66.68386       2.188106  -3.957390      1.861093  
1 1 1 -4  19 21 o 183.7238 1.943985  338.3379       7.141965  341.7607       10.21087  335.0595       9.993182  1.813660       3.887969  
1 1 1 -4  19 22 o 64.54762 0.8065709 41.66642       1.040978  40.92048       1.452184  42.45488       1.492995  -1.187706      1.613142  
1 1 1 -4  19 23 o 81.48679 0.9469193 66.23820       1.539689  63.48240       2.093126  69.48760       2.272860  -3.679710      1.893839  
1 1 1 -4  19 24 o 67.04475 0.8270506 44.95596       1.108643  44.10844       1.544463  45.85684       1.592350  -1.302612      1.654101  
1 1 1 -4  19 25 o 64.60049 0.8076778 41.16026       1.034463  37.40951       1.357937  46.34677       1.596828  -6.910732      1.615356  
1 1 1 -4  19 26 o 116.6311 1.277490  136.0567       2.976191  140.2323       4.341053  132.3533       4.088253  3.365578       2.554980  
1 1 1 -4  19 27 o 131.6964 1.426280  173.0672       3.742830  165.1070       5.039218  182.8620       5.589820  -6.706940      2.852559  
1 1 1 -4  19 28 o 108.9751 1.205888  118.9037       2.627108  116.5787       3.650774  121.4006       3.783355  -2.205093      2.411775  
1 1 1 -4  19 29 o 84.30831 0.9779578 71.04218       1.646582  73.44461       2.408305  68.93336       2.256352  2.668335       1.955916  
1 1 1 -4  19 30 o 103.7419 1.157940  107.8325       2.402512  107.3711       3.387757  108.2994       3.407660  -0.4462128     2.315881  
1 1 1 -4  19 31 o 82.97228 0.9687849 68.94042       1.607536  69.16816       2.288419  68.71857       2.258671  0.2693634      1.937570  
1 1 1 -4  19 32 o 62.01708 0.8001792 38.50355       0.9924352 38.20197       1.407500  38.80174       1.399564  -0.4839211     1.600358  
1 1 1 -4  19 33 o 14.75607 1.232067  2.200608       0.3446613 2.129132       0.5852757 2.238555       0.4264474 -0.3833599     2.464134  
1 1 1 -4  19 34 o 58.86077 0.7854074 34.66026       0.9238438 35.34999       1.338646  34.03299       1.276587  1.115318       1.570815  
1 1 1 -4  19 35 o 103.9781 1.444583  108.3170       2.811257  109.3361       4.949841  107.8318       3.415600  0.5634308      2.889166  
1 1 1 -4  19 36 o 44.40650 1.051600  19.66811       0.9298884 20.82053       1.395202  18.74705       1.247312  2.321854       2.103199  
1 1 1 -4  19 37 o 44.60318 0.8829079 19.85747       0.7492047 19.68966       0.9244389 20.17864       1.278903  -0.5206909     1.765816  
1 1 1 -4  19 38 o 89.86441 1.044832  80.97969       1.877542  79.63194       2.625726  82.38979       2.685783  -1.528191      2.089664  
1 1 1 -4  19 39 o 31.27232 0.7391821 9.807395       0.4612193 9.605994       0.6719671 9.986793       0.6341959 -0.6117783     1.478364  
1 1 1 -4  19 40 o 87.76523 1.029283  77.24873       1.805748  78.40284       2.603768  76.17931       2.506438  1.255486       2.058566  
1 1 1 -4  19 41 o 43.62357 0.7317950 19.03332       0.6376312 17.71578       0.8837154 20.46416       0.9209285 -3.146801      1.463590  
1 1 1 -4  19 42 o 50.43109 0.7629036 25.47735       0.7686094 25.70636       1.116055  25.27075       1.060061  0.4262581      1.525807  
1 1 1 -4  19 43 o 29.40982 0.7741675 8.711221       0.4531509 8.015769       0.6553346 9.348421       0.6272892 -2.268608      1.548335  
1 1 1 -4  19 44 o 62.65376 0.8413104 39.36999       1.053986  39.31785       1.506141  39.42003       1.475456  -0.8528519E-01 1.682621  
1 1 1 -4  19 45 o 8.020067 1.759304  0.6519489      0.3146298 0.5211494      0.4710895 0.7572750      0.4227351 -1.017360      3.518608  
1 1 1 -4  19 46 o 42.00163 0.7617537 17.66341       0.6390370 18.18654       0.9330513 17.20122       0.8770186 1.165726       1.523507  
1 1 1 -4  19 47 o 46.81234 0.7835798 21.96738       0.7328612 22.26776       1.063962  21.69620       1.010916  0.6031570      1.567160  
1 1 1 -4  19 48 o 72.11551 0.9945810 52.35896       1.430309  53.57994       1.963185  50.97763       2.088115  1.826820       1.989162  
1 1 1 -4  19 49 o 33.84438 0.9759384 11.51967       0.6564112 11.55353       0.8809185 11.47741       0.9842672 0.1323662      1.951877  
1 1 1 -4  19 50 o 34.11640 1.068156  11.68726       0.7274270 12.20445       1.069816  11.24253       0.9920538 1.392242       2.136312  
1 1 1 -4  19 51 o 33.69472 1.085402  11.43811       0.7308739 11.40253       1.053747  11.47109       1.014588  -0.1111069     2.170805  
1 1 1 -4  19 52 o 25.59832 1.220797  6.549590       0.6217968 7.367177       0.9371948 5.906713       0.8310497 2.822615       2.441594  
1 1 1 -4  19 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  19 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  20 1  o 88.09178 1.003708  76.60428       1.751158  84.83053       2.715570  70.74827       2.291185  7.987541       2.007416  
1 1 1 -4  20 2  o 120.9952 1.313239  146.4865       3.177880  146.9911       4.506540  145.9872       4.481963  0.4144440      2.626478  
1 1 1 -4  20 3  o 60.70454 0.7701393 36.84476       0.9347186 36.35663       1.302339  37.36335       1.342353  -0.8288040     1.540279  
1 1 1 -4  20 4  o 175.3320 1.854733  307.6369       6.501096  313.0061       9.359838  302.6321       9.036559  2.950684       3.709465  
1 1 1 -4  20 5  o 110.2457 1.211494  121.3762       2.667356  125.7072       3.901410  117.5749       3.655054  3.684334       2.422988  
1 1 1 -4  20 6  o 383.5578 4.004272  1478.799       30.69480  1511.564       44.43980  1448.907       42.44675  8.061401       8.008543  
1 1 1 -4  20 7  o 270.4971 2.829184  733.5431       15.29821  721.3441       21.24092  746.6914       22.05173  -4.653809      5.658367  
1 1 1 -4  20 8  o 46.94884 0.7088622 20.83117       0.6463665 27.83489       1.080841  16.93195       0.8064663 11.60873       1.417724  
1 1 1 -4  20 9  o 74.74003 0.8889963 55.87604       1.328817  56.21253       1.889660  55.54688       1.868974  0.4450378      1.777993  
1 1 1 -4  20 10 f 173.4809 1.838062  301.2229       6.374232  306.6985       9.188819  296.1440       8.849789  3.032410       3.676124  
1 1 1 -4  20 11 o 300.0347 3.136652  904.1482       18.82174  907.1280       26.71496  901.2114       26.52201  0.9764404      6.273304  
1 1 1 -4  20 12 o 119.9138 1.306210  143.8853       3.132309  142.6106       4.390584  145.2065       4.469991  -1.080727      2.612421  
1 1 1 -4  20 13 o 133.5316 1.442943  177.7639       3.840895  186.9840       5.717117  170.1790       5.185416  6.279709       2.885886  
1 1 1 -4  20 14 o 150.8409 1.610985  227.5449       4.855095  221.9409       6.687336  233.7909       7.060100  -3.917313      3.221969  
1 1 1 -4  20 15 o 172.4798 1.828943  297.7010       6.303081  290.7206       8.689168  305.4534       9.157029  -4.254196      3.657885  
1 1 1 -4  20 16 o 145.3171 1.557637  211.4785       4.527021  211.2610       6.397264  211.6966       6.407097  -0.1495667     3.115274  
1 1 1 -4  20 17 o 162.9198 1.734972  265.2100       5.640284  276.2591       8.320972  255.8179       7.671666  6.247910       3.469944  
1 1 1 -4  20 18 o 81.41423 0.9472886 66.31306       1.542288  65.66727       2.161830  66.98242       2.200944  -0.8068085     1.894577  
1 1 1 -4  20 19 o 103.2402 1.146820  105.7109       2.351176  114.6708       3.592338  98.99667       3.109757  7.576546       2.293639  
1 1 1 -4  20 20 o 63.85632 0.8005616 40.75965       1.021825  39.71275       1.415873  41.89764       1.476171  -1.709373      1.601123  
1 1 1 -4  20 21 o 92.00922 1.043704  84.40182       1.914931  88.99049       2.843654  80.59442       2.590288  4.554169       2.087409  
1 1 1 -4  20 22 o 114.2286 1.254380  130.6767       2.865719  130.5071       4.049894  130.8468       4.055591  -0.1484375     2.508760  
1 1 1 -4  20 23 o 46.19586 0.6937830 21.34765       0.6409395 20.95770       0.9007493 21.74758       0.9122100 -0.8546448     1.387566  
1 1 1 -4  20 24 o 28.19842 0.6925808 7.847272       0.3863470 6.390037       0.5168326 9.692917       0.5816464 -5.854717      1.385162  
1 1 1 -4  20 25 o 30.57084 0.6796545 9.343234       0.4153760 9.674157       0.5974572 9.033631       0.5778919 1.047024       1.359309  
1 1 1 -4  20 26 o 102.5868 1.147708  105.0816       2.349090  100.8439       3.190623  110.0978       3.471330  -4.495522      2.295416  
1 1 1 -4  20 27 o 162.6508 1.737541  265.4934       5.649633  260.9280       7.847532  270.4056       8.140074  -2.888916      3.475082  
1 1 1 -4  20 28 o 67.85449 0.8419507 45.51839       1.134125  41.57412       1.496563  50.83931       1.738218  -6.816689      1.683901  
1 1 1 -4  20 29 o 19.57840 0.8216501 3.953316       0.3105781 2.845089       0.4482206 4.976824       0.4307477 -5.444851      1.643300  
1 1 1 -4  20 30 o 73.57391 0.8906904 54.18223       1.310395  53.20785       1.832209  55.20254       1.874886  -1.353394      1.781381  
1 1 1 -4  20 31 o 124.4156 1.360558  155.0737       3.381070  159.7390       4.934744  150.9459       4.641800  3.508232       2.721117  
1 1 1 -4  20 32 o 49.86034 0.9238393 23.80217       0.8214743 27.34295       1.620711  22.57803       0.9529553 4.735477       1.847679  
1 1 1 -4  20 33 f 11.77548 1.851563  1.533180       0.4410401 0.7852227      0.6789927 2.079078       0.5800729 -5.228208      3.703125  
1 1 1 -4  20 34 o 43.80685 0.8825405 19.22833       0.7335311 19.23706       0.9043757 19.21154       1.254071  0.5355835E-01  1.765081  
1 1 1 -4  20 35 o 53.19883 1.014621  28.69805       1.066037  25.67409       1.583742  31.20317       1.441486  -5.208893      2.029243  
1 1 1 -4  20 36 f 22.60729 0.8145216 5.097055       0.3664860 5.342389       0.5509796 4.902383       0.4908031 0.9684925      1.629043  
1 1 1 -4  20 37 o 47.04130 0.7334718 22.12961       0.6886224 22.66834       1.012003  21.66508       0.9397265 1.060844       1.466944  
1 1 1 -4  20 38 o 25.53491 0.7749321 6.501549       0.3948227 7.047715       0.5821761 6.036419       0.5372527 1.976461       1.549864  
1 1 1 -4  20 39 o 53.73462 0.7760632 28.91985       0.8336697 27.74422       1.167305  30.14374       1.191027  -2.230598      1.552126  
1 1 1 -4  20 40 o 46.42662 0.7517417 21.42514       0.6944741 23.29663       1.048699  19.96338       0.9268231 3.578239       1.503483  
1 1 1 -4  20 41 o 38.75140 0.7394530 15.05705       0.5724079 14.84483       0.8267363 15.25246       0.7933117 -0.5292702     1.478906  
1 1 1 -4  20 42 o 16.12361 1.127189  2.521599       0.3441612 3.940726       0.5407477 1.555341       0.4462009 7.382985       2.254378  
1 1 1 -4  20 43 o 29.40454 0.7775508 8.663750       0.4560624 8.723886       0.6708351 8.612069       0.6218824 0.1845722      1.555102  
1 1 1 -4  20 44 o 41.15273 0.7559936 16.98576       0.6217881 16.73841       0.8923346 17.21921       0.8668995 -0.5871582     1.511987  
1 1 1 -4  20 45 o 24.07673 0.8500462 5.757219       0.4051939 6.227236       0.6278582 5.421741       0.5304424 1.658388       1.700092  
1 1 1 -4  20 46 o 32.26757 0.7895305 10.47017       0.5082462 9.894086       0.7309524 11.00939       0.7071747 -1.731512      1.579061  
1 1 1 -4  20 47 o 60.40360 0.9053240 36.53987       1.086512  35.78209       1.448869  37.51358       1.642379  -1.400856      1.810648  
1 1 1 -4  20 48 o 61.21503 0.9175912 37.71491       1.120918  38.84443       1.549410  36.47459       1.623629  1.949196       1.835182  
1 1 1 -4  20 49 o 35.37145 0.9790226 12.28715       0.6796612 11.14699       0.8664320 14.11107       1.095859  -4.141178      1.958045  
1 1 1 -4  20 50 o 29.44219 1.109039  8.732111       0.6518029 8.779357       0.9527863 8.690550       0.8936317 0.1363621      2.218078  
1 1 1 -4  20 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  20 52 o 41.56269 1.568168  17.42584       1.303546  17.42584       1.303546  ?              ?         ?              ?         
1 1 1 -4  20 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  21 1  o 180.3616 2.707356  326.3841       9.765333  324.2387       13.71048  328.5932       13.91226  -1.198151      5.414713  
1 1 1 -4  21 2  o 157.0611 2.375432  245.9674       7.427887  261.0844       11.16085  233.9477       9.952007  8.591675       4.750865  
1 1 1 -4  21 3  o 215.7269 3.219467  466.9549       13.87360  480.6706       20.22677  454.7693       19.06517  5.941605       6.438933  
1 1 1 -4  21 4  o 135.8649 1.786094  186.2214       4.628798  180.3054       7.761372  189.4872       5.766568  -3.437195      3.572187  
1 1 1 -4  21 5  o 225.4988 2.368851  509.2935       10.67344  497.7755       14.71823  522.0697       15.50123  -5.355682      4.737702  
1 1 1 -4  21 6  f 135.6797 1.460124  184.1339       3.959586  180.5016       5.481912  188.0959       5.725423  -2.792572      2.920248  
1 1 1 -4  21 7  o 73.47774 0.8764006 53.95384       1.287034  55.48859       1.862792  52.55203       1.780292  1.997002       1.752801  
1 1 1 -4  21 8  o 237.8446 2.495694  567.5132       11.87175  567.6662       16.79598  567.3607       16.78239  0.6362915E-01  4.991388  
1 1 1 -4  21 9  o 37.43370 0.6692719 13.81826       0.4974316 16.20302       0.7548600 11.98785       0.6613311 5.628994       1.338544  
1 1 1 -4  21 10 o 307.4717 3.218144  950.8862       19.78817  957.6283       28.19915  944.3455       27.77508  2.132477       6.436288  
1 1 1 -4  21 11 o 108.9748 1.201373  117.7052       2.598401  110.1342       3.429037  127.9152       3.982050  -8.144203      2.402746  
1 1 1 -4  21 12 f 155.1754 1.656589  241.1439       5.140040  244.0697       7.364627  238.3650       7.177225  1.831284       3.313177  
1 1 1 -4  21 13 o 92.20175 1.043728  85.07142       1.924652  84.92549       2.714882  85.21886       2.728911  -0.1587601     2.087457  
1 1 1 -4  21 14 o 138.9728 1.494329  193.2015       4.149417  188.5294       5.719232  198.3940       6.029366  -3.537857      2.988658  
1 1 1 -4  21 15 o 150.1759 1.606300  225.8272       4.822278  229.9178       6.948822  222.0270       6.697577  2.616699       3.212600  
1 1 1 -4  21 16 o 145.4638 1.560535  211.2964       4.527371  203.0747       6.134158  221.1338       6.709841  -6.182114      3.121069  
1 1 1 -4  21 17 o 109.7311 1.209047  120.5545       2.653288  119.8686       3.731453  121.2560       3.773533  -0.6306534     2.418094  
1 1 1 -4  21 18 o 112.6460 1.237971  126.6816       2.782355  121.7957       3.780255  132.4573       4.110096  -4.719070      2.475941  
1 1 1 -4  21 19 f 78.18446 0.9225468 61.06921       1.440754  63.25743       2.102751  59.13288       1.978031  2.633827       1.845094  
1 1 1 -4  21 20 o 99.20066 1.115014  98.47437       2.211225  96.77857       3.072613  100.2962       3.184688  -1.768570      2.230028  
1 1 1 -4  21 21 o 35.53279 0.6695533 12.59372       0.4750941 13.49125       0.6937616 11.80111       0.6519547 2.377193       1.339107  
1 1 1 -4  21 22 o 125.5686 1.366898  158.0349       3.432768  157.7090       4.844504  158.3636       4.864896  -0.2594452     2.733796  
1 1 1 -4  21 23 o 74.84540 0.8970574 56.07591       1.342812  56.12218       1.899338  56.02965       1.898709  0.6179047E-01  1.794115  
1 1 1 -4  21 24 o 155.2933 1.663922  242.0189       5.167428  243.8936       7.368892  240.2050       7.248296  1.178238       3.327845  
1 1 1 -4  21 25 o 51.66471 0.7292716 26.70999       0.7534837 26.88191       1.074152  26.54344       1.057223  0.3269577      1.458543  
1 1 1 -4  21 26 o 139.5620 1.508245  195.3803       4.208831  193.0250       5.874476  197.8644       6.033062  -1.721130      3.016490  
1 1 1 -4  21 27 f 31.50807 0.6783958 9.961912       0.4258298 8.960639       0.6028731 10.95882       0.6015576 -3.170956      1.356792  
1 1 1 -4  21 28 o 66.56932 0.8318467 44.35172       1.107344  43.47661       1.550700  45.26229       1.581806  -1.339722      1.663693  
1 1 1 -4  21 29 o 73.22617 1.096658  54.31779       1.521894  51.89230       2.577429  55.61611       1.885726  -2.590927      2.193316  
1 1 1 -4  21 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  21 31 f 51.61310 0.9670873 26.86969       0.9908885 28.70378       1.352894  24.74724       1.455366  3.839882       1.934175  
1 1 1 -4  21 32 o 54.68744 0.7670718 29.94674       0.8388802 29.32527       1.183375  30.57450       1.189359  -1.141785      1.534144  
1 1 1 -4  21 33 o 17.18455 0.9484813 2.944446       0.3251267 3.237311       0.4789125 2.694078       0.4428046 1.577679       1.896963  
1 1 1 -4  21 34 o 25.75163 1.150391  6.743392       0.5831014 6.038181       0.8778880 7.300131       0.7800202 -2.460539      2.300783  
1 1 1 -4  21 35 o 47.20785 0.7360111 22.30845       0.6940739 22.56408       1.009105  22.07893       0.9561702 0.5098572      1.472022  
1 1 1 -4  21 36 o 30.53856 0.7436522 9.371437       0.4526341 8.596140       0.6463152 10.11771       0.6341021 -2.492189      1.487304  
1 1 1 -4  21 37 o 23.21487 0.8191053 5.362409       0.3777291 5.718946       0.5751857 5.092052       0.5008708 1.343279       1.638211  
1 1 1 -4  21 38 f 59.62647 0.8101102 35.63913       0.9659278 35.04026       1.369341  36.23222       1.362739  -1.000175      1.620220  
1 1 1 -4  21 39 o 57.46077 0.7985464 32.96447       0.9150217 34.75362       1.358401  31.47834       1.238031  2.837383       1.597093  
1 1 1 -4  21 40 o 28.34269 0.7707824 7.987373       0.4351157 8.813868       0.6519596 7.323565       0.5842813 2.621971       1.541565  
1 1 1 -4  21 41 o 20.40820 0.9217941 4.088690       0.3720318 4.999997       0.5748993 3.432100       0.4879849 3.829851       1.843588  
1 1 1 -4  21 42 o 36.46340 0.7485451 13.32781       0.5445459 13.31357       0.7983659 13.34019       0.7446460 -0.4243851E-01 1.497090  
1 1 1 -4  21 43 o 7.257013 1.824191  0.4624411      0.3324060 0.4419968      0.4968940 0.4790013      0.4472082 0.2152300E-01  3.648383  
1 1 1 -4  21 44 o 50.79331 0.7910674 25.87191       0.8031341 26.10146       1.158271  25.65935       1.114594  0.4291306      1.582135  
1 1 1 -4  21 45 o 45.06667 0.7846099 20.37156       0.7061740 20.39749       1.026919  20.34830       0.9726512 0.4700851E-01  1.569220  
1 1 1 -4  21 46 o 56.95855 0.8333398 32.55437       0.9484999 32.79306       1.372342  32.33607       1.312425  0.3916435      1.666680  
1 1 1 -4  21 47 o 69.93195 0.9792388 49.24924       1.365419  50.30272       1.871403  48.05000       1.996668  1.635170       1.958478  
1 1 1 -4  21 48 o 9.450615 2.079637  0.9143460      0.4359898 1.007786       0.6113853 0.8176596      0.6219148 0.7570305      4.159273  
1 1 1 -4  21 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  21 50 o 6.479397 2.824544  -0.1035599     0.6874851 -0.1035599     0.6874851 ?              ?         ?              ?         
1 1 1 -4  21 51 o 70.55270 1.288408  50.32780       1.817289  49.31273       2.526857  51.41534       2.615504  -1.461678      2.576815  
1 1 1 -4  21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  22 1  o 169.3450 1.798717  287.3785       6.092062  287.0755       8.604466  287.6830       8.626528  -0.1784363     3.597434  
1 1 1 -4  22 2  o 99.08878 1.108392  98.22044       2.195917  99.96760       3.153195  96.57513       3.059896  1.709465       2.216783  
1 1 1 -4  22 3  o 90.80917 1.033301  81.36472       1.857362  90.42606       2.888452  74.97653       2.425260  8.495583       2.066603  
1 1 1 -4  22 4  o 101.0412 1.125602  101.5829       2.264613  108.3038       3.401216  96.23060       3.035233  5.964859       2.251203  
1 1 1 -4  22 5  o 166.6450 2.169737  279.5580       6.850547  281.6946       8.449398  275.4589       11.70313  2.033554       4.339473  
1 1 1 -4  22 6  o 136.2486 2.082504  185.8374       5.666015  180.4264       7.759230  192.0189       8.293318  -4.227753      4.165008  
1 1 1 -4  22 7  o 80.94656 1.339446  65.60086       2.168418  66.15461       3.078968  65.05591       3.054390  0.6778641      2.678893  
1 1 1 -4  22 8  o 98.32754 1.562102  96.58289       3.065123  93.09151       4.170839  100.6826       4.519614  -3.846497      3.124204  
1 1 1 -4  22 9  o 50.36922 0.8704543 24.93976       0.8177227 26.60730       1.468995  24.19105       0.9843258 2.387718       1.740909  
1 1 1 -4  22 10 o 54.88326 0.8010771 30.29125       0.8747875 27.83047       1.266798  32.53432       1.209465  -4.286564      1.602154  
1 1 1 -4  22 11 o 113.6050 1.246249  129.1586       2.830486  131.4139       4.072416  127.0510       3.936849  1.915398       2.492498  
1 1 1 -4  22 12 o 70.47466 0.8527088 49.64043       1.200871  48.38137       1.657488  51.03157       1.742259  -1.878067      1.705418  
1 1 1 -4  22 13 o 95.22403 1.072803  90.51373       2.038690  87.11491       2.774864  94.50018       3.005176  -3.869995      2.145605  
1 1 1 -4  22 14 o 155.1771 1.659259  241.4158       5.149532  241.9380       7.301554  240.8988       7.263670  0.3327637      3.318519  
1 1 1 -4  22 15 o 76.19844 0.9061635 57.89670       1.377435  55.31937       1.868523  60.96438       2.038536  -3.698952      1.812327  
1 1 1 -4  22 16 o 24.84428 0.7018076 6.177402       0.3482814 6.217609       0.4815044 6.133283       0.5043799 0.1702671      1.403615  
1 1 1 -4  22 17 o 129.2753 1.401833  167.4561       3.624245  166.4484       5.093271  168.4896       5.158261  -0.7860718     2.803666  
1 1 1 -4  22 18 f 103.1163 1.150190  106.4445       2.371183  108.1967       3.409756  104.8036       3.299671  1.640099       2.300380  
1 1 1 -4  22 19 f 90.40359 1.033445  81.81868       1.868226  82.77668       2.671936  80.90235       2.613186  1.033966       2.066890  
1 1 1 -4  22 20 o 27.90982 0.6948052 7.793502       0.3876719 7.484990       0.5447510 8.110072       0.5518189 -1.119604      1.389610  
1 1 1 -4  22 21 o 36.09816 0.6732439 13.02804       0.4858289 12.50546       0.6770094 13.58286       0.6975843 -1.491673      1.346488  
1 1 1 -4  22 22 o 194.4798 2.062879  379.8885       8.013496  369.7091       11.00446  391.3804       11.69239  -5.501663      4.125757  
1 1 1 -4  22 23 o 61.06693 0.7945172 37.23330       0.9688187 38.93353       1.420124  35.75311       1.325045  2.600109       1.589034  
1 1 1 -4  22 24 o 106.3720 1.184844  113.3702       2.520307  112.1593       3.527596  114.6328       3.602076  -1.157906      2.369687  
1 1 1 -4  22 25 o 39.21933 0.6883590 15.37138       0.5395382 16.16525       0.7791032 14.63982       0.7478977 1.943550       1.376718  
1 1 1 -4  22 26 o 100.4397 1.412407  97.76084       2.554024  109.1923       4.930680  93.56895       2.985803  7.614044       2.824815  
1 1 1 -4  22 27 o 39.11013 0.9842656 15.34288       0.7666394 15.11310       1.133055  15.53689       1.041150  -0.5478821     1.968531  
1 1 1 -4  22 28 o 42.82330 0.9118560 18.47605       0.7730621 19.22534       1.035161  17.53121       1.162421  1.986141       1.823712  
1 1 1 -4  22 29 o 15.43748 1.005889  2.398815       0.3066590 2.316582       0.4681461 2.460620       0.4058560 -0.4710112     2.011779  
1 1 1 -4  22 30 o 111.2157 1.237147  123.8106       2.746175  128.7225       4.041786  119.5986       3.742781  4.072243       2.474294  
1 1 1 -4  22 31 f 38.18198 0.6982298 14.08195       0.5232733 17.54570       0.8437694 11.91724       0.6670370 7.360050       1.396460  
1 1 1 -4  22 32 o 31.35829 1.066290  9.783968       0.6610160 10.36325       1.027209  9.374546       0.8635760 1.560360       2.132580  
1 1 1 -4  22 33 o 24.00303 0.7930059 5.750562       0.3788224 5.978283       0.5689210 5.569176       0.5077533 0.8472557      1.586012  
1 1 1 -4  22 34 o 27.64552 0.7572129 7.634841       0.4159368 7.834019       0.6285782 7.479695       0.5547603 0.6349430      1.514426  
1 1 1 -4  22 35 o 77.50310 0.9384540 59.99553       1.450034  63.11886       2.156646  57.41870       1.958902  3.656586       1.876908  
1 1 1 -4  22 36 o 65.71069 0.8509707 43.26142       1.117393  43.82878       1.618548  42.74478       1.544515  0.8172684      1.701941  
1 1 1 -4  22 37 f 20.67663 0.8824379 4.318723       0.3621430 3.931559       0.5297415 4.658408       0.4961978 -1.761452      1.764876  
1 1 1 -4  22 38 o 44.23567 0.7364924 19.61309       0.6511346 19.48026       0.9366915 19.73730       0.9057733 -0.2936172     1.472985  
1 1 1 -4  22 39 o 37.01694 0.7403370 13.70223       0.5465606 14.11438       0.8085081 13.35538       0.7417116 1.018295       1.480674  
1 1 1 -4  22 40 o 45.92560 0.7594236 20.80272       0.6908950 23.64753       1.071280  18.77688       0.9040219 5.284164       1.518847  
1 1 1 -4  22 41 o 42.46529 0.7589080 18.05732       0.6431758 18.38931       0.9444631 17.77022       0.8783113 0.7211723      1.517816  
1 1 1 -4  22 42 o 68.97607 0.8954657 47.65694       1.232896  49.37897       1.812447  46.17385       1.682008  2.303230       1.790931  
1 1 1 -4  22 43 o 24.88118 0.8764179 6.275917       0.4315964 5.627975       0.6358304 6.829555       0.5877411 -2.422009      1.752836  
1 1 1 -4  22 44 o 44.18520 0.7789872 19.56497       0.6871030 19.88641       1.006450  19.28437       0.9403365 0.6719170      1.557974  
1 1 1 -4  22 45 o 35.82632 0.7809108 12.79776       0.5569524 13.69645       0.8379267 12.08648       0.7454568 2.232697       1.561822  
1 1 1 -4  22 46 o 22.08370 0.9729516 4.740539       0.4225002 6.030744       0.6710420 3.893160       0.5438250 4.814302       1.945903  
1 1 1 -4  22 47 o 55.68610 1.846854  31.34250       2.056882  31.34250       2.056882  ?              ?         ?              ?         
1 1 1 -4  22 48 o 6.920940 2.011052  0.1228642      0.4451800 0.3967134      0.6951874 -0.6749997E-01 0.5796137 1.812192       4.022103  
1 1 1 -4  22 49 o 40.15482 1.070065  16.12062       0.8554770 17.68391       1.286669  14.88200       1.145290  3.451626       2.140130  
1 1 1 -4  22 50 o 24.98108 1.217980  6.303380       0.6076996 6.327690       0.8834756 6.281548       0.8372223 0.7857895E-01  2.435960  
1 1 1 -4  22 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  23 1  o 175.1660 1.860180  307.6986       6.515224  311.6709       9.338136  303.9310       9.094530  2.194855       3.720361  
1 1 1 -4  23 2  o 211.0366 2.225904  447.3179       9.394269  444.5908       13.19186  450.1238       13.38117  -1.297501      4.451809  
1 1 1 -4  23 3  o 55.12620 0.7399418 30.35912       0.8151591 31.57522       1.181669  29.25496       1.125965  2.103184       1.479884  
1 1 1 -4  23 4  o 126.2061 1.371162  159.2139       3.455232  165.1789       5.065567  154.0239       4.725058  4.404335       2.742324  
1 1 1 -4  23 5  o 78.70767 0.9235419 61.34721       1.443094  67.25374       2.209823  56.95543       1.905511  6.532982       1.847084  
1 1 1 -4  23 6  o 19.01384 0.7733948 3.601182       0.2934014 3.382483       0.3985518 3.859934       0.4335140 -1.254644      1.546790  
1 1 1 -4  23 7  f 79.89307 0.9349777 63.45808       1.487218  68.23813       2.236473  59.66862       1.991299  5.355499       1.869955  
1 1 1 -4  23 8  f 90.87912 1.034582  82.67216       1.880410  83.01785       2.668053  82.33096       2.650636  0.3773117      2.069163  
1 1 1 -4  23 9  o 82.52705 0.9592059 68.16456       1.583166  68.52463       2.248967  67.81084       2.229037  0.4318085      1.918412  
1 1 1 -4  23 10 o 75.54582 1.106314  56.86970       1.561707  56.38897       1.892468  57.89592       2.765025  -0.9645920     2.212627  
1 1 1 -4  23 11 o 92.75887 1.282472  87.42580       2.292498  91.18539       2.914210  81.32190       3.713243  5.352600       2.564943  
1 1 1 -4  23 12 o 32.13667 0.9337729 10.27901       0.5979844 11.59021       0.8803496 9.155797       0.8148038 3.785299       1.867546  
1 1 1 -4  23 13 o 23.54357 0.9847608 5.551306       0.4632387 5.602714       0.6427019 5.495726       0.6682838 0.2282238      1.969522  
1 1 1 -4  23 14 o 70.96738 1.225869  49.87810       1.725944  46.17515       2.272512  54.92546       2.653166  -6.145058      2.451737  
1 1 1 -4  23 15 o 81.27525 1.167939  65.69035       1.774470  67.51424       3.146266  64.83957       2.148841  1.594460       2.335878  
1 1 1 -4  23 16 o 61.76405 0.9724877 37.24023       1.107132  40.63874       2.042581  35.82641       1.317447  3.864174       1.944975  
1 1 1 -4  23 17 o 71.32336 0.8652729 50.91266       1.234168  51.45563       1.760178  50.38757       1.730944  0.7475662      1.730546  
1 1 1 -4  23 18 o 59.98677 0.7823197 36.00945       0.9384705 35.72173       1.315446  36.30769       1.339270  -0.4875107     1.564639  
1 1 1 -4  23 19 o 136.0545 1.472105  185.6389       4.004992  187.7319       5.730371  183.6402       5.599716  1.494003       2.944210  
1 1 1 -4  23 20 o 48.08459 0.7094097 23.04090       0.6806524 21.70678       0.9250093 24.61622       1.005153  -3.022343      1.418819  
1 1 1 -4  23 21 o 104.2189 1.165002  108.6812       2.425567  105.6541       3.335906  112.0769       3.533122  -3.068947      2.330004  
1 1 1 -4  23 22 o 31.91614 0.6908992 10.14458       0.4392969 8.965827       0.6005612 11.50111       0.6442571 -3.970098      1.381798  
1 1 1 -4  23 23 o 121.4994 1.891208  148.4330       4.593887  145.8875       6.391489  151.1535       6.607362  -2.142815      3.782416  
1 1 1 -4  23 24 f 23.17488 1.171184  5.376523       0.5424135 5.589506       0.7862792 5.183134       0.7492378 0.8739071      2.342367  
1 1 1 -4  23 25 o 109.2909 1.495495  120.1203       3.089324  120.4227       3.796188  119.5273       5.315878  0.5668030      2.990989  
1 1 1 -4  23 26 o 37.56965 0.6958256 14.12712       0.5228124 13.93959       0.7357603 14.31836       0.7430300 -0.5037270     1.391651  
1 1 1 -4  23 27 o 35.65797 0.9568936 12.67629       0.6806565 11.60938       0.9273016 13.92263       1.002249  -3.238243      1.913787  
1 1 1 -4  23 28 f 25.32533 0.7706240 6.486016       0.3849524 5.271345       0.5459468 7.687063       0.5428761 -4.769564      1.541248  
1 1 1 -4  23 29 o 74.85583 0.9094789 55.80592       1.355405  59.61843       2.037821  52.78119       1.815115  4.549370       1.818958  
1 1 1 -4  23 30 o 75.14611 1.207098  55.44802       1.733062  60.82436       2.980805  52.70259       2.130082  5.307571       2.414196  
1 1 1 -4  23 31 o 41.69868 0.7147625 17.26509       0.5926793 18.77854       0.8987204 16.10035       0.7884198 3.203247       1.429525  
1 1 1 -4  23 32 o 21.93662 0.8331932 4.783141       0.3620575 5.094002       0.5584878 4.557784       0.4755152 1.214893       1.666386  
1 1 1 -4  23 33 o 90.87839 1.055103  82.87999       1.917628  82.89278       2.725406  82.86747       2.698663  0.1076508E-01  2.110205  
1 1 1 -4  23 34 o 108.5592 1.219771  118.1757       2.644036  113.9930       3.616115  122.9809       3.875846  -4.101730      2.439542  
1 1 1 -4  23 35 f 14.53618 1.123071  2.083790       0.3234730 2.449364       0.4992680 1.819317       0.4246558 2.156452       2.246142  
1 1 1 -4  23 36 o 54.78545 0.7884753 29.72024       0.8586286 26.56403       1.141900  33.82635       1.302446  -6.610901      1.576951  
1 1 1 -4  23 37 o 44.27258 0.7487196 19.56396       0.6605870 20.54499       0.9851051 18.76236       0.8904690 2.003464       1.497439  
1 1 1 -4  23 38 o 50.18758 0.7714090 25.25525       0.7741253 24.88637       1.101169  25.61568       1.088498  -0.7280006     1.542818  
1 1 1 -4  23 39 o 12.23322 1.461627  1.599977       0.3362651 1.112502       0.4930624 2.023865       0.4597813 -3.907152      2.923255  
1 1 1 -4  23 40 o 22.39245 0.9067340 5.014241       0.4038312 5.211131       0.6085721 4.859336       0.5398000 0.7751217      1.813468  
1 1 1 -4  23 41 o 27.13792 0.8353794 7.306691       0.4503607 8.119927       0.6873881 6.695056       0.5961287 2.611805       1.670759  
1 1 1 -4  23 42 o 42.41236 0.7745318 18.05682       0.6563419 17.18861       0.9304639 18.91666       0.9259676 -2.037815      1.549064  
1 1 1 -4  23 43 o 52.31219 0.8074748 27.43841       0.8436739 27.88535       1.229603  27.04082       1.159730  0.7964973      1.614950  
1 1 1 -4  23 44 o 29.21120 1.163482  8.691597       0.5838475 8.413776       1.170537  8.783606       0.6736246 -0.7437325     2.326964  
1 1 1 -4  23 45 o 57.74706 1.243930  33.69151       1.433852  33.25599       2.086452  34.08128       1.973781  -0.7453079     2.487859  
1 1 1 -4  23 46 o 27.76045 0.9238079 7.721222       0.5110717 8.698810       0.7446878 6.850841       0.7026701 3.319883       1.847616  
1 1 1 -4  23 47 o 35.97147 1.058625  13.03366       0.7613800 13.08514       1.091067  12.98479       1.062990  0.1325798      2.117250  
1 1 1 -4  23 48 o 9.169657 2.100031  0.8506067      0.4482807 0.5855795      0.6891435 1.045008       0.5902196 -1.556851      4.200063  
1 1 1 -4  23 49 o 9.615404 3.154472  0.000000       0.000000  ?              ?         0.9259465      0.7001151 ?              ?         
1 1 1 -4  24 1  o 15.24677 0.8781967 2.355272       0.2644330 2.593571       0.3594895 2.074315       0.3903424 1.703937       1.756393  
1 1 1 -4  24 2  o 47.17862 0.6934105 22.26247       0.6541533 22.85430       0.9347776 21.69451       0.9157413 1.228603       1.386821  
1 1 1 -4  24 3  o 75.56577 0.8976070 56.98192       1.353903  59.86441       1.992470  54.50928       1.845395  3.537918       1.795214  
1 1 1 -4  24 4  f 182.4092 1.935740  334.1212       7.060505  330.5682       9.867290  337.8490       10.10715  -1.976425      3.871479  
1 1 1 -4  24 5  o 77.41606 0.9151898 59.89037       1.415054  58.16529       1.940880  61.84785       2.067492  -2.373528      1.830380  
1 1 1 -4  24 6  o 155.9081 1.668089  243.1987       5.188868  234.4736       7.051420  253.5030       7.663004  -6.058975      3.336177  
1 1 1 -4  24 7  o 97.39378 1.096058  94.95785       2.134390  96.55643       3.062841  93.44862       2.975999  1.591324       2.192116  
1 1 1 -4  24 8  o 56.51340 0.7527327 31.93071       0.8501538 31.23923       1.175286  32.68963       1.231265  -1.281376      1.505465  
1 1 1 -4  24 9  o 70.17367 0.8545192 49.28550       1.199224  48.98559       1.685029  49.59333       1.707105  -0.4321747     1.709038  
1 1 1 -4  24 10 o 76.45702 0.9093226 58.51226       1.390336  58.10688       1.949603  58.93178       1.983293  -0.5380630     1.818645  
1 1 1 -4  24 11 o 126.8768 1.379990  161.1817       3.498283  157.3090       4.819999  165.4924       5.085291  -3.208183      2.759980  
1 1 1 -4  24 12 o 105.3924 1.171947  110.9333       2.464436  116.0828       3.639702  106.5737       3.348906  4.495316       2.343894  
1 1 1 -4  24 13 o 41.06755 0.6736396 16.85572       0.5528130 16.41989       0.7627369 17.33801       0.8023584 -1.116528      1.347279  
1 1 1 -4  24 14 o 87.82670 1.011394  77.09209       1.773870  74.60650       2.429301  79.93110       2.596277  -3.022949      2.022789  
1 1 1 -4  24 15 o 105.8333 1.178201  111.8643       2.487542  107.3701       3.375994  117.2027       3.679385  -4.626991      2.356403  
1 1 1 -4  24 16 o 84.59245 0.9844674 71.65334       1.665407  71.03386       2.335521  72.29420       2.375468  -0.7428665     1.968935  
1 1 1 -4  24 17 o 13.90084 1.348745  2.153109       0.3286403 2.597438       0.4168181 1.423041       0.5342885 4.410836       2.697490  
1 1 1 -4  24 18 o 78.58369 1.319099  61.68057       2.067812  65.19261       3.061890  58.73568       2.803783  4.089500       2.638199  
1 1 1 -4  24 19 o 43.88864 1.388163  0.000000       0.000000  ?              ?         19.29232       1.218492  ?              ?         
1 1 1 -4  24 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  24 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  24 22 o 67.93744 1.504781  43.99662       1.809754  41.50927       2.088501  51.49377       3.625886  -7.187737      3.009562  
1 1 1 -4  24 23 o 78.19570 1.130433  62.08956       1.704095  58.21000       2.763884  64.46880       2.164454  -4.048828      2.260867  
1 1 1 -4  24 24 f 32.65507 0.7160619 10.53644       0.4645498 12.26240       0.7028621 9.197616       0.6190377 4.688198       1.432124  
1 1 1 -4  24 25 o 45.18204 0.7371247 20.40808       0.6653890 21.09904       0.9685597 19.79052       0.9156705 1.444901       1.474249  
1 1 1 -4  24 26 o 45.90765 0.7287543 20.85630       0.6651642 18.68352       0.8856618 23.66759       1.007427  -5.420834      1.457509  
1 1 1 -4  24 27 o 33.61943 0.7285421 11.29581       0.4891896 12.16119       0.7079498 10.50505       0.6767421 2.461025       1.457084  
1 1 1 -4  24 28 f 52.80956 1.084221  27.87601       1.141108  29.16383       1.700383  26.82080       1.539173  2.201126       2.168442  
1 1 1 -4  24 29 o 74.45960 0.9086654 55.48413       1.351367  57.29935       1.973527  53.88164       1.854286  2.283722       1.817331  
1 1 1 -4  24 30 o 93.30269 1.076457  87.06853       2.003241  91.13226       2.967586  83.66656       2.715225  3.971718       2.152913  
1 1 1 -4  24 31 o 51.15792 0.7552206 26.05071       0.7694540 28.02587       1.154705  24.47316       1.031957  3.461754       1.510441  
1 1 1 -4  24 32 o 59.81467 0.8053684 35.85529       0.9633400 35.08734       1.357054  36.63539       1.367746  -1.292999      1.610737  
1 1 1 -4  24 33 o 64.20526 0.8369812 41.32068       1.074282  41.56895       1.544806  41.08818       1.494948  0.3690414      1.673962  
1 1 1 -4  24 34 o 43.65768 0.7369547 19.10719       0.6429902 18.87745       0.9242489 19.32267       0.8951023 -0.5127869     1.473909  
1 1 1 -4  24 35 o 21.66091 0.8883771 4.808459       0.3765486 3.918666       0.5553743 5.565504       0.5122734 -3.806581      1.776754  
1 1 1 -4  24 36 f 32.49176 0.7561557 10.60460       0.4901350 10.18192       0.7098830 10.98966       0.6775575 -1.246540      1.512311  
1 1 1 -4  24 37 o 22.45978 0.8796842 4.971358       0.3915262 5.788466       0.6048605 4.382092       0.5136552 3.118942       1.759368  
1 1 1 -4  24 38 o 21.05608 0.9495886 4.553934       0.3904192 3.586548       0.5698087 5.409966       0.5360122 -4.335041      1.899177  
1 1 1 -4  24 39 o 11.90511 1.515204  1.378743       0.3432781 2.161754       0.5520226 0.8850286      0.4383399 5.466709       3.030408  
1 1 1 -4  24 40 o 15.80912 1.308437  2.736356       0.3669571 1.574669       0.5367588 3.755760       0.5028141 -7.059700      2.616873  
1 1 1 -4  24 41 o 22.82190 0.9233105 5.155043       0.4182453 5.916771       0.6404621 4.588661       0.5522658 2.894659       1.846621  
1 1 1 -4  24 42 o 30.57194 1.274377  9.536497       0.7685575 8.647272       1.152619  10.24836       1.031284  -2.648941      2.548754  
1 1 1 -4  24 43 o 35.64030 1.005361  12.40112       0.6815869 11.62812       0.8315570 13.98361       1.189791  -3.229839      2.010723  
1 1 1 -4  24 44 o 25.04754 0.9201447 6.393841       0.4543895 5.364209       0.6593003 7.325398       0.6271148 -3.921434      1.840289  
1 1 1 -4  24 45 o 50.33384 0.9768084 25.29684       0.9456640 24.80161       1.179599  26.18762       1.582039  -1.288643      1.953617  
1 1 1 -4  24 46 o 15.90279 1.543142  2.563753       0.4884654 2.636953       0.7314466 2.504832       0.6562448 0.3871813      3.086285  
1 1 1 -4  24 47 o 24.39768 1.244477  6.040357       0.6048014 5.604029       0.8725352 6.443869       0.8390821 -1.731394      2.488955  
1 1 1 -4  24 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  25 1  o 105.2613 1.169423  111.0054       2.461854  111.5225       3.494666  110.4961       3.468653  0.4860535      2.338845  
1 1 1 -4  25 2  o 63.46759 0.8004153 40.28961       1.015430  39.55389       1.407837  41.08737       1.465997  -1.205807      1.600831  
1 1 1 -4  25 3  o 95.26835 1.077639  90.80074       2.051420  88.57816       2.829139  93.26492       2.978947  -2.451874      2.155279  
1 1 1 -4  25 4  o 82.40903 0.9627963 67.71376       1.581818  64.62407       2.136496  71.46211       2.353235  -4.138588      1.925593  
1 1 1 -4  25 5  o 47.99637 0.6983029 23.04599       0.6700425 22.84583       0.9325322 23.25960       0.9633872 -0.4299660     1.396606  
1 1 1 -4  25 6  f 84.79299 0.9828561 71.95345       1.666111  73.47065       2.398230  70.53806       2.316376  1.725235       1.965712  
1 1 1 -4  25 7  o 109.8960 1.217482  120.9445       2.674418  118.6829       3.708118  123.3964       3.860904  -2.135124      2.434965  
1 1 1 -4  25 8  o 65.58094 0.8214723 43.04795       1.077422  43.45462       1.531098  42.64904       1.516416  0.6135712      1.642945  
1 1 1 -4  25 9  o 102.3640 1.145810  104.7005       2.340785  100.8551       3.187240  109.2033       3.448969  -4.061981      2.291620  
1 1 1 -4  25 10 o 18.22972 0.8349394 3.320194       0.3039079 3.061517       0.4205552 3.602910       0.4396624 -1.484068      1.669879  
1 1 1 -4  25 11 o 64.41838 0.8161154 41.03937       1.043472  45.59150       1.600784  37.67600       1.375982  6.133930       1.632231  
1 1 1 -4  25 12 o 49.66731 0.7171597 24.47091       0.7086815 22.63056       0.9450933 26.83497       1.071157  -4.227642      1.434319  
1 1 1 -4  25 13 o 90.43896 1.035529  81.80477       1.870980  84.48447       2.724687  79.41384       2.573695  2.794685       2.071057  
1 1 1 -4  25 14 o 100.7091 1.131541  101.5575       2.277781  99.58228       3.156628  103.7031       3.290051  -2.037338      2.263083  
1 1 1 -4  25 15 o 38.70285 0.7376660 15.03355       0.5684162 14.51198       0.8362985 15.48138       0.7749286 -1.255035      1.475332  
1 1 1 -4  25 16 o 91.06680 1.479702  83.01259       2.689034  86.74997       3.965982  79.83252       3.658355  3.769333       2.959404  
1 1 1 -4  25 17 f 31.85476 1.001287  10.16942       0.6376514 10.50646       0.9017707 9.832374       0.9017797 1.058062       2.002575  
1 1 1 -4  25 18 o 23.97728 1.014442  5.886281       0.4756881 6.653016       0.6388830 4.932440       0.7125848 3.593082       2.028883  
1 1 1 -4  25 19 o 53.26722 0.7471858 28.33156       0.7948147 29.75630       1.163714  27.08581       1.088161  2.502731       1.494372  
1 1 1 -4  25 20 o 61.74729 0.8043367 38.16946       0.9931933 37.69021       1.391461  38.66724       1.418093  -0.7896156     1.608673  
1 1 1 -4  25 21 o 48.57017 0.7283698 23.41058       0.7042986 25.94791       1.058874  21.39738       0.9431909 4.678017       1.456740  
1 1 1 -4  25 22 o 81.71863 0.9687409 66.87597       1.582519  68.43291       2.281701  65.43280       2.196756  1.828896       1.937482  
1 1 1 -4  25 23 o 53.86353 0.7708418 28.54190       0.8222829 32.89478       1.276241  25.45239       1.075199  6.895348       1.541684  
1 1 1 -4  25 24 o 75.01202 0.9210368 56.36998       1.381521  57.45092       1.976946  55.33828       1.931382  1.404427       1.842074  
1 1 1 -4  25 25 o 48.81370 0.9071897 24.21068       0.8526277 25.18472       1.081692  22.61254       1.385544  2.661114       1.814379  
1 1 1 -4  25 26 o 56.71883 1.286498  32.24818       1.459373  32.24818       1.459373  ?              ?         ?              ?         
1 1 1 -4  25 27 o 82.69000 1.382569  68.55061       2.281589  71.97498       3.363558  65.63209       3.105212  3.797615       2.765139  
1 1 1 -4  25 28 o 118.9943 1.868029  143.1368       4.445625  143.9921       6.308913  142.2932       6.265439  0.7048798      3.736059  
1 1 1 -4  25 29 o 57.28661 1.101774  32.50611       1.252753  36.66905       1.921633  29.42915       1.652082  6.284237       2.203549  
1 1 1 -4  25 30 o 32.47757 0.9811410 10.57991       0.6371616 10.89209       0.9096817 10.27926       0.8927227 0.9414063      1.962282  
1 1 1 -4  25 31 f 48.15974 1.024918  23.21868       0.9855238 24.39482       1.446193  22.19893       1.346611  2.266430       2.049837  
1 1 1 -4  25 32 o 28.05888 0.8993629 7.465440       0.4751410 9.179564       0.8600901 6.712558       0.5700154 4.360695       1.798726  
1 1 1 -4  25 33 o 17.71550 1.216633  3.352059       0.3911712 2.655686       0.6781408 3.699303       0.4788688 -2.977488      2.433267  
1 1 1 -4  25 34 f 61.25192 0.9042559 36.63530       1.065422  41.26377       1.813022  34.19382       1.316774  5.705853       1.808512  
1 1 1 -4  25 35 o 17.78887 1.064342  3.315379       0.3625772 2.411474       0.5410686 4.052109       0.4884780 -4.619431      2.128684  
1 1 1 -4  25 36 o 43.87695 0.7552764 18.93576       0.6555045 21.85892       1.023901  16.90559       0.8532930 5.623482       1.510553  
1 1 1 -4  25 37 o 36.57691 0.7622283 13.45334       0.5560870 12.64135       0.7990416 14.21601       0.7743893 -2.155819      1.524457  
1 1 1 -4  25 38 o 18.67134 1.021054  3.474084       0.3790077 3.775679       0.5755743 3.243198       0.5036026 1.412947       2.042107  
1 1 1 -4  25 39 o 56.19582 1.045381  32.13830       1.086683  30.74234       1.928193  32.78806       1.315495  -1.934505      2.090762  
1 1 1 -4  25 40 o 26.98046 1.330313  7.395927       0.7065473 7.079400       1.087399  7.627203       0.9294963 -1.056173      2.660626  
1 1 1 -4  25 41 o 11.40633 1.643305  1.379433       0.3622234 1.169549       0.5597486 1.530648       0.4751158 -1.800138      3.286611  
1 1 1 -4  25 42 o 26.11515 0.8817756 6.836184       0.4557473 6.972087       0.6997985 6.736090       0.6005692 0.4323101      1.763551  
1 1 1 -4  25 43 f 40.33044 0.7896252 16.20109       0.6337036 17.58935       0.9567150 15.11587       0.8458712 3.047085       1.579250  
1 1 1 -4  25 44 f 9.253527 2.112646  0.7428619      0.4564834 1.331776       0.7352996 0.3735555      0.5822797 3.882379       4.225292  
1 1 1 -4  25 45 o 44.75265 1.083761  20.03082       0.9659913 22.21591       1.446626  18.27243       1.297710  4.365112       2.167522  
1 1 1 -4  25 46 o 12.58937 2.862721  0.000000       0.000000  ?              ?         1.691872       0.7046992 ?              ?         
1 1 1 -4  26 1  o 41.50180 0.6799464 17.05098       0.5612569 19.57566       0.8436693 15.04654       0.7517360 5.453007       1.359893  
1 1 1 -4  26 2  o 95.77710 1.083997  91.88267       2.076015  90.86724       2.900948  92.94862       2.972207  -1.082207      2.167994  
1 1 1 -4  26 3  o 92.45909 1.053409  85.62656       1.947760  86.50503       2.778022  84.77717       2.731661  0.9316254      2.106818  
1 1 1 -4  26 4  o 65.60673 0.8248029 42.82749       1.077669  40.40046       1.445393  45.86554       1.617134  -4.156956      1.649606  
1 1 1 -4  26 5  o 20.10435 0.7883134 4.034647       0.3163359 3.877466       0.4311176 4.217981       0.4656030 -0.8453083     1.576627  
1 1 1 -4  26 6  o 66.71409 0.8315356 44.34899       1.106290  47.28387       1.642813  41.91370       1.496468  4.017685       1.663071  
1 1 1 -4  26 7  o 89.40248 1.026770  80.01855       1.835113  81.70701       2.643271  78.44746       2.549737  1.817284       2.053540  
1 1 1 -4  26 8  o 131.6699 1.431108  173.9214       3.767648  171.7415       5.255356  176.2266       5.404284  -1.690262      2.862217  
1 1 1 -4  26 9  o 38.21504 0.6806141 14.61306       0.5201368 14.80033       0.7423517 14.43245       0.7289991 0.4807625      1.361228  
1 1 1 -4  26 10 o 92.90083 1.059334  86.17872       1.962908  82.60789       2.660203  90.44665       2.908300  -4.201889      2.118668  
1 1 1 -4  26 11 o 54.43034 0.7505752 29.58856       0.8160431 31.08939       1.191128  28.26103       1.120249  2.594563       1.501150  
1 1 1 -4  26 12 o 40.90484 0.9647744 16.62006       0.7859006 15.08412       1.055656  18.52972       1.177098  -4.203594      1.929549  
1 1 1 -4  26 13 o 81.13442 1.352393  65.52433       2.180939  70.81327       3.314709  61.48684       2.896123  5.707718       2.704786  
1 1 1 -4  26 14 o 34.29325 0.9898045 11.78314       0.6788666 11.72372       0.9597781 11.84263       0.9603469 -0.1733360     1.979609  
1 1 1 -4  26 15 o 89.96243 1.038316  80.70047       1.861578  85.79573       2.778351  76.54945       2.507736  5.119141       2.076631  
1 1 1 -4  26 16 o 36.24213 0.6940885 13.14946       0.5030398 13.25454       0.7075287 13.04205       0.7153471 0.2935410      1.388177  
1 1 1 -4  26 17 o 35.30962 0.6909137 12.40700       0.4864393 13.72107       0.7192670 11.29935       0.6603600 3.426071       1.381827  
1 1 1 -4  26 18 o 44.11068 0.7102017 19.46442       0.6262853 18.91170       0.8706045 20.05722       0.9016115 -1.296661      1.420403  
1 1 1 -4  26 19 o 27.10347 0.7447589 7.341978       0.4024338 6.559805       0.5568550 8.197114       0.5822485 -3.018885      1.489518  
1 1 1 -4  26 20 o 46.46213 0.7231858 21.60143       0.6717448 22.09768       0.9669209 21.13848       0.9339195 1.030144       1.446372  
1 1 1 -4  26 21 o 45.06153 0.7269994 20.31553       0.6548932 19.57123       0.9111881 21.11083       0.9418924 -1.706253      1.453999  
1 1 1 -4  26 22 o 50.52014 1.097924  25.27699       1.101976  28.82827       1.677635  22.58186       1.461487  6.158382       2.195848  
1 1 1 -4  26 23 o 60.82488 0.8177953 37.01633       0.9938360 35.95020       1.368520  38.20600       1.445642  -1.847767      1.635591  
1 1 1 -4  26 24 o 36.14283 0.7255309 13.08228       0.5244234 12.96359       0.7367277 13.20419       0.7466655 -0.3320808     1.451062  
1 1 1 -4  26 25 f 60.95822 0.8131169 37.23599       0.9913116 37.31405       1.399459  37.15738       1.404406  0.1289520      1.626234  
1 1 1 -4  26 26 o 100.6709 1.147362  101.5081       2.305385  97.71715       3.141051  105.9349       3.394265  -4.047798      2.294724  
1 1 1 -4  26 27 o 34.99501 0.7429879 12.21800       0.5184608 13.63081       0.7587051 10.98030       0.7101314 3.782589       1.485976  
1 1 1 -4  26 28 o 43.15298 0.7228765 18.67325       0.6233155 17.89928       0.8862869 19.43072       0.8767922 -1.775314      1.445753  
1 1 1 -4  26 29 o 36.93543 0.7163374 13.47795       0.5250398 15.25804       0.8062355 12.16711       0.6918562 4.173229       1.432675  
1 1 1 -4  26 30 o 17.46428 0.9544703 3.100891       0.3284771 2.761889       0.4914064 3.374709       0.4416418 -1.760914      1.908941  
1 1 1 -4  26 31 o 32.52961 0.7462592 10.62724       0.4845077 10.07452       0.6949503 11.14999       0.6758438 -1.655087      1.492518  
1 1 1 -4  26 32 o 34.28634 0.7464253 11.80097       0.5109426 11.38212       0.7363002 12.18999       0.7096030 -1.181034      1.492851  
1 1 1 -4  26 33 f 27.79668 0.8063537 7.791129       0.4442554 6.579484       0.6271154 9.011753       0.6294351 -4.374825      1.612707  
1 1 1 -4  26 34 o 9.298967 1.685733  0.9252684      0.3127847 0.7905369      0.4990709 1.012425       0.4014006 -1.049405      3.371466  
1 1 1 -4  26 35 o 22.26434 0.9012121 4.917070       0.3981753 5.455362       0.6114486 4.520727       0.5246700 2.085196       1.802424  
1 1 1 -4  26 36 o 47.27512 0.7770467 22.40875       0.7340812 21.16150       1.027679  23.70814       1.048943  -2.690506      1.554093  
1 1 1 -4  26 37 o 34.76256 1.803486  12.18615       1.253876  12.18615       1.253876  ?              ?         ?              ?         
1 1 1 -4  26 38 o 51.54398 1.169491  26.66858       1.205605  26.66858       1.205605  ?              ?         ?              ?         
1 1 1 -4  26 39 o 57.10396 1.006662  32.66158       1.103092  32.32102       1.374765  33.27717       1.848326  -0.7419472     2.013324  
1 1 1 -4  26 40 o 16.45148 1.416164  2.754431       0.4582831 3.398971       0.6592975 2.151855       0.6374738 3.783511       2.832327  
1 1 1 -4  26 41 o 60.89987 1.175295  37.40549       1.431337  37.54268       2.041579  37.27288       2.007288  0.2126160      2.350590  
1 1 1 -4  26 42 o 30.75113 1.102459  9.494226       0.6754871 8.402506       0.9267722 10.73144       0.9865982 -3.771494      2.204918  
1 1 1 -4  26 43 o 19.66040 1.356789  3.902706       0.5314399 4.059175       0.7929935 3.775136       0.7160254 0.6961632      2.713577  
1 1 1 -4  26 44 o 11.59479 2.058713  1.437013       0.4717551 1.412880       0.7373102 1.453740       0.6138533 -0.1879396     4.117425  
1 1 1 -4  26 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  27 1  o 18.43971 0.8395545 3.390758       0.3089754 3.152694       0.4215989 3.666973       0.4541263 -1.392574      1.679109  
1 1 1 -4  27 2  o 80.71221 0.9527025 65.02699       1.533799  62.23066       2.079234  68.36518       2.271770  -3.787384      1.905405  
1 1 1 -4  27 3  o 88.45824 1.021613  78.30985       1.805586  76.29636       2.487154  80.55345       2.625421  -2.396378      2.043226  
1 1 1 -4  27 4  o 82.09477 0.9650040 67.27959       1.580273  64.39662       2.142800  70.71723       2.339867  -3.836258      1.930008  
1 1 1 -4  27 5  o 61.53349 0.7997547 37.72531       0.9808336 35.79413       1.321981  40.09021       1.462918  -3.482960      1.599509  
1 1 1 -4  27 6  o 82.72739 0.9705498 68.55961       1.605668  68.11079       2.252496  69.02327       2.289470  -0.5489731     1.941100  
1 1 1 -4  27 7  o 17.58031 1.019329  2.996188       0.3520142 3.672785       0.5664573 2.570517       0.4493021 3.126480       2.038658  
1 1 1 -4  27 8  o 67.72006 1.179871  45.98925       1.598007  46.22228       2.264431  45.75806       2.255442  0.3419876      2.359742  
1 1 1 -4  27 9  f 30.08842 0.9651823 9.037893       0.5795966 8.295856       0.7949247 9.880112       0.8468873 -2.628969      1.930365  
1 1 1 -4  27 10 o 36.79629 0.8717561 13.56876       0.6305615 13.59972       0.8199616 13.52396       0.9864351 0.1139412      1.743512  
1 1 1 -4  27 11 f 65.14874 0.8325845 42.33144       1.082199  45.07222       1.600191  40.02127       1.469117  3.867859       1.665169  
1 1 1 -4  27 12 o 36.04296 0.6927005 12.89996       0.4973076 11.72733       0.6688910 14.34928       0.7436296 -3.633049      1.385401  
1 1 1 -4  27 13 o 69.50877 0.8656937 48.39655       1.203385  48.14173       1.690322  48.65843       1.713603  -0.3700104     1.731387  
1 1 1 -4  27 14 o 33.54704 0.6973487 11.27028       0.4676791 11.65392       0.6615326 10.88694       0.6612639 1.143124       1.394697  
1 1 1 -4  27 15 o 32.29299 0.7003896 10.44131       0.4521676 10.83979       0.6422630 10.04971       0.6366965 1.222958       1.400779  
1 1 1 -4  27 16 o 79.45781 0.9493024 62.76291       1.499905  58.72430       1.995295  68.01028       2.274371  -5.819229      1.898605  
1 1 1 -4  27 17 o 21.78862 1.024146  4.756354       0.4213158 4.774760       0.7283215 4.747097       0.5165083 0.4301453E-01  2.048291  
1 1 1 -4  27 18 f 97.60510 1.578812  95.41895       3.069679  90.40386       4.123706  101.6517       4.597144  -5.686539      3.157624  
1 1 1 -4  27 19 o 96.53119 1.568169  93.85509       3.027462  93.67033       4.264098  94.04290       4.299072  -0.1872787     3.136337  
1 1 1 -4  27 20 o 19.73736 0.9053750 3.912622       0.3546979 4.543534       0.5085303 3.314880       0.4949813 3.111227       1.810750  
1 1 1 -4  27 21 o 77.34048 0.9374545 59.95164       1.449703  61.06565       2.078763  58.89684       2.022763  1.396446       1.874909  
1 1 1 -4  27 22 o 73.40591 0.9068931 53.81382       1.327792  51.30843       1.798726  56.81377       1.968270  -3.732552      1.813786  
1 1 1 -4  27 23 o 86.15372 1.013686  74.47857       1.746647  74.38709       2.465379  74.57076       2.474912  -0.1054611     2.027372  
1 1 1 -4  27 24 f 27.29755 0.7684551 7.466002       0.4194320 7.428989       0.5859458 7.504896       0.6006610 -0.1376419     1.536910  
1 1 1 -4  27 25 o 91.86227 1.067326  84.73357       1.960874  85.20654       2.787048  84.26995       2.759348  0.5059662      2.134652  
1 1 1 -4  27 26 o 30.29107 0.7513900 9.194801       0.4551994 9.121191       0.6417018 9.269360       0.6458163 -0.2441578     1.502780  
1 1 1 -4  27 27 f 88.33728 1.039526  78.26681       1.835081  76.16876       2.533677  80.58177       2.661427  -2.479721      2.079051  
1 1 1 -4  27 28 o 38.36264 0.7353693 14.74181       0.5639805 14.15542       0.7892083 15.35379       0.8062421 -1.560143      1.470739  
1 1 1 -4  27 29 o 11.29713 1.473453  1.252090       0.3190866 1.904778       0.5053963 0.8194706      0.4114642 4.912879       2.946905  
1 1 1 -4  27 30 o 53.01892 0.7793828 28.15866       0.8259988 26.92054       1.151426  29.47136       1.185601  -2.401634      1.558766  
1 1 1 -4  27 31 o 53.71217 0.7870325 28.89321       0.8446429 29.73597       1.227668  28.13575       1.163893  1.481644       1.574065  
1 1 1 -4  27 32 o 21.80911 0.9135880 4.614863       0.3903703 6.177859       0.6138208 3.553378       0.5058474 6.000078       1.827176  
1 1 1 -4  27 33 o 11.72255 1.473074  1.398564       0.3300902 1.477055       0.5301187 1.348861       0.4218498 0.3126669      2.946148  
1 1 1 -4  27 34 o 23.99650 1.296766  5.737471       0.6134014 6.205286       0.9667259 5.422189       0.7936245 1.591848       2.593532  
1 1 1 -4  27 35 o 11.27788 1.822790  1.441981       0.4284357 2.019799       0.5559749 0.5972033      0.6722501 5.724984       3.645581  
1 1 1 -4  27 36 o 53.83654 0.8071865 29.09974       0.8685202 28.77756       1.247750  29.40257       1.209681  -0.5865402     1.614373  
1 1 1 -4  27 37 o 36.66441 0.7824936 13.53281       0.5709004 13.00569       0.8411819 13.98296       0.7773418 -1.342831      1.564987  
1 1 1 -4  27 38 f 26.24086 0.8664749 6.938357       0.4504451 6.766341       0.6810092 7.072147       0.6005934 -0.5981789     1.732950  
1 1 1 -4  27 39 o 31.00130 0.8248392 9.687215       0.5093821 8.830791       0.7280441 10.50848       0.7129434 -2.708574      1.649678  
1 1 1 -4  27 40 o 42.90748 0.7999254 18.50024       0.6853334 17.20625       0.9654784 19.81440       0.9729807 -3.037884      1.599851  
1 1 1 -4  27 41 o 12.17253 1.762756  1.635613       0.3944503 1.279736       0.6863383 1.811133       0.4820055 -2.418118      3.525513  
1 1 1 -4  27 42 f 25.71574 1.185205  6.686901       0.6082167 6.511600       0.8830645 6.845117       0.8389284 -0.6612720     2.370410  
1 1 1 -4  27 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  28 1  o 69.80215 0.8649017 48.70461       1.205529  47.01432       1.649502  50.64258       1.766227  -2.590332      1.729803  
1 1 1 -4  28 2  o 37.93905 0.7386362 14.32120       0.5556026 15.08159       0.8522082 13.75906       0.7327369 1.735420       1.477272  
1 1 1 -4  28 3  o 68.66718 1.192455  47.21096       1.634960  45.61519       2.235988  49.04443       2.396738  -2.480591      2.384910  
1 1 1 -4  28 4  o 48.38422 0.9870744 23.46591       0.9551513 23.48201       1.346149  23.44957       1.355475  0.3431702E-01  1.974149  
1 1 1 -4  28 5  o 99.27732 1.579954  99.05408       3.134308  96.73643       4.324822  101.6180       4.548819  -2.427948      3.159909  
1 1 1 -4  28 6  o 45.48676 0.9820951 20.36873       0.8845856 18.14916       1.156093  23.50342       1.373899  -5.866798      1.964190  
1 1 1 -4  28 7  o 48.22928 1.005690  23.31994       0.9700350 23.36920       1.366502  23.26989       1.377234  0.1039085      2.011381  
1 1 1 -4  28 8  o 90.48141 1.470945  81.72377       2.647547  76.91622       3.529592  87.90868       4.003402  -6.011665      2.941890  
1 1 1 -4  28 9  o 25.83270 0.9492407 6.769410       0.4764529 7.057610       0.6130795 6.329911       0.7570928 1.420902       1.898481  
1 1 1 -4  28 10 f 31.90379 0.7487417 10.12162       0.4723903 9.738536       0.6181378 10.65948       0.7324319 -1.435226      1.497483  
1 1 1 -4  28 11 o 80.17947 0.9561102 64.27587       1.530536  67.32471       2.247035  61.63714       2.090448  3.532181       1.912220  
1 1 1 -4  28 12 o 34.01107 0.7063851 11.56323       0.4800580 10.97318       0.6635492 12.21125       0.6953779 -1.817825      1.412770  
1 1 1 -4  28 13 f 39.36164 0.7027936 15.48315       0.5525189 16.64426       0.8005014 14.42672       0.7635659 2.814205       1.405587  
1 1 1 -4  28 14 o 66.84348 0.8531232 44.70198       1.139405  46.46284       1.656690  43.12147       1.569562  2.491638       1.706246  
1 1 1 -4  28 15 o 110.0498 1.230549  121.6109       2.707712  123.5218       3.884100  119.8041       3.776723  1.675156       2.461098  
1 1 1 -4  28 16 o 11.34977 1.404920  1.325591       0.3094479 1.518849       0.4370213 1.131260       0.4382319 1.889990       2.809840  
1 1 1 -4  28 17 o 44.93776 1.032540  20.22035       0.9268177 21.69118       1.342261  18.88009       1.281299  3.120811       2.065079  
1 1 1 -4  28 18 o 42.58475 0.7214644 18.13709       0.6139803 18.92408       0.8897801 17.42176       0.8483027 1.760487       1.442929  
1 1 1 -4  28 19 o 38.61420 0.7245665 14.73586       0.5554087 17.44241       0.8390712 12.62516       0.7409762 6.229267       1.449133  
1 1 1 -4  28 20 o 57.38246 0.7900950 32.88464       0.9049255 31.24250       1.232808  34.80314       1.332516  -3.092896      1.580190  
1 1 1 -4  28 21 f 59.95134 0.8089205 35.66085       0.9642456 39.47534       1.463597  32.73545       1.281728  5.602360       1.617841  
1 1 1 -4  28 22 o 60.04790 0.8131416 35.77050       0.9704499 32.90631       1.287423  39.53952       1.476840  -5.502892      1.626283  
1 1 1 -4  28 23 o 75.67214 0.9288382 57.43165       1.405379  58.29631       2.015513  56.61345       1.960634  1.105042       1.857676  
1 1 1 -4  28 24 o 39.83955 0.7324612 15.78168       0.5813457 14.27273       0.7839468 17.62531       0.8665373 -4.199322      1.464922  
1 1 1 -4  28 25 o 44.90134 0.7462823 20.20386       0.6701371 19.99079       0.9411372 20.42299       0.9544368 -0.4798737     1.492565  
1 1 1 -4  28 26 o 55.69022 0.7930562 31.08711       0.8832003 31.59375       1.261018  30.59929       1.237385  0.8901100      1.586112  
1 1 1 -4  28 27 f 62.67087 0.8457127 39.38070       1.059754  38.85236       1.478490  39.93897       1.519801  -0.8617592     1.691425  
1 1 1 -4  28 28 o 23.62862 0.8665391 5.529615       0.4044622 6.910943       0.6074441 4.429459       0.5421076 5.242199       1.733078  
1 1 1 -4  28 29 o 39.64116 0.7377008 15.67708       0.5828426 13.98152       0.7962188 17.63451       0.8554977 -4.600174      1.475402  
1 1 1 -4  28 30 o 26.02978 0.8111650 6.723032       0.4196152 7.475228       0.6388792 6.152371       0.5564703 2.529285       1.622330  
1 1 1 -4  28 31 o 22.58520 1.353136  5.160172       0.5908661 5.097255       0.9649324 5.197915       0.7473690 -0.2743187     2.706273  
1 1 1 -4  28 32 o 56.21259 0.9984070 31.67270       1.069249  31.47559       1.322393  32.04492       1.817223  -0.4181747     1.996814  
1 1 1 -4  28 33 o 17.35881 1.078199  2.935559       0.3670638 3.539832       0.5949242 2.564127       0.4664272 2.783837       2.156397  
1 1 1 -4  28 34 o 36.52283 0.7735123 13.38440       0.5638358 13.38012       0.8243602 13.38817       0.7728942 -0.1894760E-01 1.547025  
1 1 1 -4  28 35 o 60.74960 0.8477011 37.06991       1.029706  36.31871       1.460790  37.81178       1.451702  -1.230480      1.695402  
1 1 1 -4  28 36 o 61.81184 0.8567916 38.37209       1.057923  38.62915       1.536551  38.14039       1.458737  0.3804588      1.713583  
1 1 1 -4  28 37 o 84.16713 1.028588  71.18958       1.729900  68.39600       2.385726  74.28685       2.512055  -3.470695      2.057175  
1 1 1 -4  28 38 o 30.07904 0.8470393 9.190348       0.5037443 8.156750       0.7421647 10.07331       0.6859551 -3.196852      1.694079  
1 1 1 -4  28 39 f 28.32450 0.8577793 8.138769       0.4800235 7.498058       0.7201284 8.651100       0.6439524 -2.051641      1.715559  
1 1 1 -4  28 40 o 23.04155 0.9623115 5.306151       0.4406964 5.662930       0.6691637 5.032885       0.5856333 1.347498       1.924623  
1 1 1 -4  28 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  29 1  o 43.76392 1.480083  19.21502       1.295485  19.21502       1.295485  ?              ?         ?              ?         
1 1 1 -4  29 2  o 28.87621 1.121749  8.225209       0.6360341 10.77525       0.9649477 6.266188       0.8457655 7.793724       2.243498  
1 1 1 -4  29 3  o 66.77106 1.220786  44.69755       1.627945  43.30690       2.231526  46.27964       2.380182  -2.207039      2.441572  
1 1 1 -4  29 4  f 10.46245 1.724139  1.240813       0.3597482 0.6662264      0.6111967 1.545398       0.4449978 -3.878697      3.448277  
1 1 1 -4  29 5  o 44.26097 0.7130882 19.62130       0.6311730 19.72438       0.8875906 19.51586       0.8977225 0.2363167      1.426176  
1 1 1 -4  29 6  o 109.6601 1.225245  120.5103       2.682156  116.4660       3.660614  125.1984       3.941191  -3.945274      2.450490  
1 1 1 -4  29 7  o 80.17972 0.9557154 64.38364       1.531004  62.79347       2.108547  66.15686       2.226607  -2.085426      1.911431  
1 1 1 -4  29 8  o 35.83641 0.7035724 12.86701       0.5040295 13.08095       0.7058037 12.64437       0.7200198 0.6102066      1.407145  
1 1 1 -4  29 9  o 75.35713 0.9174502 56.54311       1.375973  53.21099       1.838850  60.78266       2.074174  -5.000427      1.834900  
1 1 1 -4  29 10 o 30.45933 0.7151750 9.293440       0.4348840 10.04736       0.6208236 8.567071       0.6093739 2.429043       1.430350  
1 1 1 -4  29 11 o 46.63925 0.7319092 21.78975       0.6826364 22.21702       0.9672267 21.36570       0.9635708 0.9123688      1.463818  
1 1 1 -4  29 12 o 62.09917 0.8162093 38.52332       1.011961  40.80642       1.485326  36.54549       1.382461  3.421089       1.632419  
1 1 1 -4  29 13 o 52.26036 0.7537943 27.35716       0.7877774 27.74306       1.124730  26.98553       1.103737  0.7229004      1.507589  
1 1 1 -4  29 14 o 25.98980 1.071051  6.780066       0.5566863 6.698114       0.7815354 6.864471       0.7931395 -0.3185501     2.142101  
1 1 1 -4  29 15 f 7.563632 1.718015  0.5637992      0.2957225 0.6201218      0.4083882 0.5017096      0.4287866 0.5194712      3.436029  
1 1 1 -4  29 16 o 47.68794 0.7426586 22.73945       0.7075863 23.98403       1.028141  21.61950       0.9753050 2.474186       1.485317  
1 1 1 -4  29 17 o 40.69251 0.7225118 16.58588       0.5878182 16.41420       0.8190433 16.76823       0.8441250 -0.4326401     1.445024  
1 1 1 -4  29 18 o 16.26206 1.089273  2.689542       0.3314065 4.037704       0.4910335 1.561685       0.4491246 7.607135       2.178547  
1 1 1 -4  29 19 o 43.88540 0.7317458 19.27618       0.6418816 18.55475       0.8901737 20.05757       0.9264266 -1.708607      1.463492  
1 1 1 -4  29 20 o 49.45591 0.7557356 24.50658       0.7474080 24.11748       1.046471  24.91173       1.067843  -0.8007698     1.511471  
1 1 1 -4  29 21 o 28.84043 0.7738759 8.302917       0.4453539 9.101023       0.6526573 7.607479       0.6092336 2.584593       1.547752  
1 1 1 -4  29 22 f 17.65641 1.018191  3.142331       0.3581871 2.890659       0.5137658 3.380350       0.4996359 -1.388805      2.036382  
1 1 1 -4  29 23 o 74.95722 0.9283003 56.31492       1.390455  58.05234       2.018166  54.74500       1.918422  2.192581       1.856601  
1 1 1 -4  29 24 o 17.11758 1.036060  2.940921       0.3544416 3.102696       0.5088944 2.788508       0.4939519 0.9154053      2.072120  
1 1 1 -4  29 25 o 74.90105 0.9324510 56.02193       1.391831  59.80836       2.078359  52.94305       1.874137  4.552338       1.864902  
1 1 1 -4  29 26 o 49.00153 0.7692172 24.05597       0.7534732 23.24699       1.046070  24.92823       1.086207  -1.710220      1.538434  
1 1 1 -4  29 27 o 6.969638 2.004411  0.1831971E-01  0.3991789 0.6345356      0.7926453 -0.1910666     0.4620475 3.881639       4.008822  
1 1 1 -4  29 28 f 36.46122 1.150805  13.30440       0.8362394 11.89609       1.138373  14.95514       1.232465  -4.175850      2.301609  
1 1 1 -4  29 29 f 25.66622 0.9767348 6.327511       0.4841362 5.581665       0.5979800 7.746573       0.8248266 -4.177515      1.953470  
1 1 1 -4  29 30 o 51.33199 0.7776617 26.42564       0.7979232 26.68952       1.150411  26.18101       1.107670  0.4890633      1.555323  
1 1 1 -4  29 31 o 39.21841 0.7546610 15.42337       0.5899689 15.50925       0.8716311 15.35076       0.8014627 0.1915932      1.509322  
1 1 1 -4  29 32 o 30.79594 0.7872005 9.469151       0.4828357 10.02720       0.7235228 9.021088       0.6483164 1.621559       1.574401  
1 1 1 -4  29 33 o 44.95297 0.7727710 20.27645       0.6931792 20.37615       1.016345  20.18975       0.9478434 0.1956863      1.545542  
1 1 1 -4  29 34 o 35.50791 0.7819480 12.69007       0.5526529 12.27219       0.8147587 13.04617       0.7521310 -1.100677      1.563896  
1 1 1 -4  29 35 o 29.76451 0.8286868 8.824375       0.4904757 9.571455       0.7437071 8.249325       0.6524854 2.203941       1.657374  
1 1 1 -4  29 36 o 35.49535 0.7895403 12.50035       0.5560588 13.84529       0.8545055 11.51253       0.7323281 3.263111       1.579081  
1 1 1 -4  29 37 f 10.65656 1.715792  1.224851       0.3542450 1.065907       0.5524111 1.335865       0.4616683 -1.268163      3.431584  
1 1 1 -4  29 38 o 47.71912 0.8010872 22.88817       0.7633052 22.56337       1.107031  23.18254       1.053882  -0.6591454     1.602174  
1 1 1 -4  29 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  30 1  o 29.71809 0.7240816 8.835699       0.4285940 9.986997       0.6192659 7.777200       0.5937838 3.715683       1.448163  
1 1 1 -4  30 2  o 14.64585 1.052567  2.201507       0.3011242 2.617089       0.4139033 1.734205       0.4389033 3.017261       2.105134  
1 1 1 -4  30 3  f 52.54905 0.7555298 27.46989       0.7903914 25.69411       1.057588  29.71659       1.189583  -3.815117      1.511060  
1 1 1 -4  30 4  f 67.23634 0.8515266 45.27310       1.144098  44.21724       1.579284  46.43922       1.659706  -1.643936      1.703053  
1 1 1 -4  30 5  o 55.40599 0.7691352 30.55473       0.8486687 28.61598       1.137847  32.98548       1.274070  -3.930183      1.538270  
1 1 1 -4  30 6  f 48.76912 0.7482628 23.75757       0.7286685 25.57797       1.063409  22.14632       1.000456  3.512386       1.496526  
1 1 1 -4  30 7  o 134.1141 1.814558  181.6643       4.566006  181.0725       5.564333  182.8841       7.989159  -0.1293030     3.629116  
1 1 1 -4  30 8  o 74.49443 1.307515  55.64882       1.943407  53.26319       2.639951  58.47110       2.871399  -3.456886      2.615029  
1 1 1 -4  30 9  o 46.42645 1.042253  21.49665       0.9624539 20.36075       1.283082  22.95808       1.455370  -2.774017      2.084507  
1 1 1 -4  30 10 o 43.77626 1.041587  19.19948       0.9101587 18.62063       1.241924  19.87108       1.337727  -1.415146      2.083174  
1 1 1 -4  30 11 o 31.51056 1.026972  9.917185       0.6454930 10.90009       0.9513159 9.078554       0.8787286 2.880444       2.053945  
1 1 1 -4  30 12 o 59.30589 0.8037075 35.25842       0.9532900 35.33167       1.347966  35.18512       1.348346  0.1235847      1.607415  
1 1 1 -4  30 13 o 50.85307 0.7534812 25.91664       0.7663285 25.91461       1.081228  25.91869       1.086294  -0.3486633E-02 1.506962  
1 1 1 -4  30 14 o 41.07267 0.7215857 16.86130       0.5918855 16.13892       0.8107131 17.68583       0.8661380 -1.877686      1.443171  
1 1 1 -4  30 15 o 27.82285 0.7643670 7.758676       0.4237787 8.667887       0.6080294 6.899792       0.5909620 3.175621       1.528734  
1 1 1 -4  30 16 o 27.78883 0.7827291 7.725842       0.4345316 7.255246       0.6006359 8.242615       0.6294147 -1.773382      1.565458  
1 1 1 -4  30 17 o 65.75296 0.8540446 43.36095       1.123038  43.16089       1.577305  43.56665       1.599356  -0.3058243     1.708089  
1 1 1 -4  30 18 o 8.232765 1.728420  0.6944334      0.3076084 0.5767114      0.4393374 0.8076432      0.4308352 -1.115897      3.456841  
1 1 1 -4  30 19 o 79.13599 0.9610155 62.86260       1.520961  62.51384       2.139692  63.21882       2.162414  -0.4422150     1.922031  
1 1 1 -4  30 20 o 45.78057 0.7546718 20.96645       0.6902500 22.24637       1.001593  19.80875       0.9525728 2.656677       1.509344  
1 1 1 -4  30 21 o 42.89573 0.7478486 18.42085       0.6410385 19.07239       0.9304912 17.83226       0.8843949 1.439991       1.495697  
1 1 1 -4  30 22 o 71.99177 0.9097731 51.90283       1.307818  54.29667       1.917150  49.81927       1.788601  3.089844       1.819546  
1 1 1 -4  30 23 o 28.23731 0.8072684 7.999211       0.4558605 7.998181       0.6490354 8.000214       0.6404191 -0.4817963E-02 1.614537  
1 1 1 -4  30 24 o 66.77089 1.262707  44.91880       1.685457  45.53412       2.427156  44.34575       2.342302  0.8709946      2.525414  
1 1 1 -4  30 25 o 21.94804 1.478300  4.869287       0.6488594 4.959281       0.9228196 4.781291       0.9125189 0.4027843      2.956599  
1 1 1 -4  30 26 o 24.98647 0.8839672 6.269859       0.4416284 6.167192       0.6282284 6.370162       0.6209491 -0.4073257     1.767934  
1 1 1 -4  30 27 o 39.68401 0.7754943 15.63649       0.6123167 17.73226       0.9211864 13.97753       0.8195844 4.715805       1.550989  
1 1 1 -4  30 28 o 53.03137 0.8045204 28.11610       0.8515288 26.50742       1.159815  29.99728       1.254203  -3.275322      1.609041  
1 1 1 -4  30 29 o 89.19835 1.058410  79.99767       1.887115  77.93294       2.615848  82.23842       2.725069  -2.390152      2.116819  
1 1 1 -4  30 30 o 61.51298 0.8427072 38.00917       1.036465  37.74420       1.480187  38.26406       1.451793  -0.4277649     1.685414  
1 1 1 -4  30 31 o 29.80413 0.8062458 8.892188       0.4796240 9.334644       0.7061291 8.513223       0.6535050 1.368597       1.612492  
1 1 1 -4  30 32 o 33.51184 0.7784256 11.19576       0.5194933 12.10435       0.7800980 10.47176       0.6963614 2.421345       1.556851  
1 1 1 -4  30 33 o 69.30238 0.9055116 48.24887       1.254039  49.16200       1.817335  47.41887       1.732652  1.239853       1.811023  
1 1 1 -4  30 34 o 29.03342 0.8387787 8.461423       0.4840037 8.553745       0.7280455 8.388306       0.6479103 0.2683392      1.677557  
1 1 1 -4  30 35 o 23.81399 0.9823467 5.887826       0.4475062 3.959624       0.6363985 7.773841       0.6293981 -8.009995      1.964693  
1 1 1 -4  30 36 o 47.54668 1.553500  0.000000       0.000000  ?              ?         22.79696       1.477275  ?              ?         
1 1 1 -4  31 1  o 62.82319 0.8244797 39.55657       1.035710  40.34386       1.483371  38.80767       1.446746  1.218475       1.648959  
1 1 1 -4  31 2  o 45.91161 0.7335889 20.68811       0.6660869 18.23306       0.8669409 24.22556       1.040651  -6.508556      1.467178  
1 1 1 -4  31 3  o 61.88080 0.8206529 38.18376       1.011722  36.15054       1.360039  40.70294       1.513873  -3.660961      1.641306  
1 1 1 -4  31 4  o 45.64769 0.7321017 20.87551       0.6682422 21.47030       0.9526705 20.29942       0.9375846 1.280994       1.464203  
1 1 1 -4  31 5  o 34.51675 0.7119811 11.93711       0.4914626 11.89045       0.6899189 11.98516       0.7002625 -0.1361732     1.423962  
1 1 1 -4  31 6  f 98.04420 1.123369  96.60499       2.202770  96.43951       3.106458  96.77235       3.123990  -0.1669769     2.246739  
1 1 1 -4  31 7  o 102.0075 1.660090  104.9589       3.380249  101.5829       4.611695  108.8783       4.969072  -3.492294      3.320180  
1 1 1 -4  31 8  o 102.7093 1.166614  106.0572       2.396247  107.0731       3.415650  105.0727       3.362582  0.9649811      2.333229  
1 1 1 -4  31 9  o 29.64114 0.7507172 8.804514       0.4448528 8.752180       0.6193157 8.860297       0.6393984 -0.1802044     1.501434  
1 1 1 -4  31 10 o 38.21384 0.7216802 14.64396       0.5511153 15.27287       0.7776029 14.00923       0.7811991 1.653759       1.443360  
1 1 1 -4  31 11 o 51.48500 0.7585530 26.44400       0.7788001 24.98329       1.053277  28.20583       1.156762  -3.118122      1.517106  
1 1 1 -4  31 12 o 32.32809 0.7379392 10.44777       0.4763500 10.02176       0.6513720 10.93753       0.6984060 -1.411283      1.475878  
1 1 1 -4  31 13 o 57.82516 0.8029848 33.51783       0.9285102 34.30648       1.325187  32.75728       1.301360  1.336735       1.605970  
1 1 1 -4  31 14 f 74.84329 0.9263005 56.07009       1.383898  53.93008       1.887603  58.55722       2.034948  -3.070686      1.852601  
1 1 1 -4  31 15 o 62.98165 1.032566  40.32301       1.235476  41.42358       1.536557  38.31021       2.077983  2.557095       2.065132  
1 1 1 -4  31 16 o 47.18051 0.9736980 22.27645       0.8940111 22.01348       1.136632  22.70305       1.447712  -0.6819382     1.947396  
1 1 1 -4  31 17 o 22.03444 1.189086  4.836955       0.5211827 4.267199       0.6988835 5.550788       0.7822732 -2.895948      2.378171  
1 1 1 -4  31 18 o 82.07338 1.404263  67.65001       2.295478  64.25298       3.081566  71.88480       3.440623  -4.561592      2.808526  
1 1 1 -4  31 19 f 33.29898 1.051017  11.15567       0.6991553 11.29937       0.9695643 11.00000       1.009132  0.4568291      2.102034  
1 1 1 -4  31 20 o 37.68133 1.533610  0.000000       0.000000  ?              ?         14.28211       1.155769  ?              ?         
1 1 1 -4  31 21 o 24.22650 3.032709  0.000000       0.000000  ?              ?         6.004580       1.469439  ?              ?         
1 1 1 -4  31 22 o 31.51060 1.105290  9.986636       0.6937307 9.940199       0.9386905 10.04252       1.029793  -0.1441517     2.210580  
1 1 1 -4  31 23 o 33.63460 0.8507381 11.43610       0.5654621 10.78021       0.8544579 11.94718       0.7542521 -1.750713      1.701476  
1 1 1 -4  31 24 o 42.33292 0.7749688 17.97242       0.6559074 17.32312       0.9178813 18.64994       0.9376199 -1.564117      1.549938  
1 1 1 -4  31 25 o 53.11175 0.8002334 28.30746       0.8499855 28.59407       1.210128  28.02835       1.194153  0.5300293      1.600467  
1 1 1 -4  31 26 o 57.64416 0.8252102 33.32579       0.9508527 34.44431       1.372426  32.29328       1.318606  1.856644       1.650420  
1 1 1 -4  31 27 o 24.16360 0.8788925 5.865566       0.4240470 5.421699       0.5930623 6.329854       0.6065513 -1.876560      1.757785  
1 1 1 -4  31 28 o 32.62094 0.8081216 10.64239       0.5250599 9.359327       0.7202473 12.09764       0.7670545 -4.188810      1.616243  
1 1 1 -4  31 29 o 29.44471 0.8056009 8.750185       0.4718097 7.852325       0.6762266 9.601851       0.6586017 -2.974010      1.611202  
1 1 1 -4  31 30 o 21.24951 0.9797109 4.677461       0.4039315 3.599103       0.5955160 5.596340       0.5497193 -4.709581      1.959422  
1 1 1 -4  31 31 o 9.703039 1.645377  1.033511       0.3378771 0.4993293      0.5199382 1.423988       0.4445340 -4.316644      3.290753  
1 1 1 -4  31 32 o 41.91692 0.7770680 17.60402       0.6502419 18.30457       0.9552463 16.99913       0.8876333 1.543957       1.554136  
1 1 1 -4  31 33 f 46.09215 0.8047891 21.37363       0.7399785 20.80489       1.077465  21.88136       1.018037  -1.179386      1.609578  
1 1 1 -4  31 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  32 1  o 48.46964 0.9329114 23.38778       0.8498746 24.15501       1.492573  23.01968       1.033836  1.104992       1.865823  
1 1 1 -4  32 2  o 55.09414 1.146709  30.46238       1.261452  29.41378       1.724963  31.66782       1.849461  -2.023281      2.293418  
1 1 1 -4  32 3  o 20.34995 0.9175695 4.168978       0.3722665 4.373225       0.5150379 3.945544       0.5386866 1.054213       1.835139  
1 1 1 -4  32 4  o 46.23973 0.7442463 21.40048       0.6875339 20.74802       0.9459639 22.13109       1.001009  -1.489082      1.488493  
1 1 1 -4  32 5  o 46.61673 0.7368292 21.77883       0.6867635 21.57520       0.9577099 21.99437       0.9853399 -0.4463577     1.473658  
1 1 1 -4  32 6  o 11.23667 1.500399  1.374334       0.3215177 1.883349       0.4419326 0.8019602      0.4686303 4.892607       3.000797  
1 1 1 -4  32 7  o 89.69359 1.053473  80.82512       1.889037  79.64679       2.627528  82.08578       2.717762  -1.344109      2.106946  
1 1 1 -4  32 8  o 52.19610 0.7682160 27.27321       0.8010396 26.39112       1.101168  28.26463       1.167414  -1.786236      1.536432  
1 1 1 -4  32 9  o 19.86343 0.9013581 3.939269       0.3567131 3.493061       0.4865177 4.457995       0.5245650 -2.423136      1.802716  
1 1 1 -4  32 10 o 41.36169 0.7334414 16.90583       0.6021344 15.11526       0.7947296 19.31896       0.9225993 -5.065502      1.466883  
1 1 1 -4  32 11 o 18.35003 0.9591154 3.384723       0.3512292 3.418036       0.4824157 3.347146       0.5123619 0.1981602      1.918231  
1 1 1 -4  32 12 o 18.61892 0.9579366 3.504200       0.3535002 4.033266       0.4991184 2.971701       0.5007350 2.851038       1.915873  
1 1 1 -4  32 13 o 43.18133 0.7432594 18.68669       0.6415930 18.36392       0.8909854 19.03431       0.9246499 -0.7718353     1.486519  
1 1 1 -4  32 14 o 51.87780 0.7771642 26.89548       0.8048685 28.99774       1.179268  25.06220       1.101246  3.782402       1.554328  
1 1 1 -4  32 15 o 50.06957 0.7731151 25.13941       0.7740831 25.73089       1.102766  24.56488       1.086845  1.162216       1.546230  
1 1 1 -4  32 16 o 35.14195 1.070092  12.42082       0.7521008 12.38418       1.063212  12.45752       1.064050  -0.1041870     2.140184  
1 1 1 -4  32 17 o 87.72765 1.478215  77.75208       2.592132  75.73515       3.592447  79.94266       3.743899  -2.357430      2.956430  
1 1 1 -4  32 18 o 27.38952 0.9995115 7.503322       0.5210806 7.418585       0.6429803 7.665465       0.8894331 -0.4051743     1.999023  
1 1 1 -4  32 19 o 37.55704 0.7698269 14.11874       0.5775307 13.24058       0.7966267 15.09160       0.8384833 -2.458069      1.539654  
1 1 1 -4  32 20 o 25.17472 0.8559421 6.338415       0.4285690 7.339894       0.6263570 5.456835       0.5876674 3.733438       1.711884  
1 1 1 -4  32 21 o 48.60255 0.7806766 23.70361       0.7588373 23.71913       1.069462  23.68788       1.076893  0.3330612E-01  1.561353  
1 1 1 -4  32 22 o 60.15501 0.8418670 36.31471       1.012519  37.17746       1.454834  35.50425       1.410051  1.382969       1.683734  
1 1 1 -4  32 23 o 20.46897 0.9744205 4.213493       0.3987804 4.255022       0.5723451 4.174310       0.5559341 0.1936359      1.948841  
1 1 1 -4  32 24 o 54.15351 0.8085287 29.35264       0.8741146 31.03924       1.284162  27.89647       1.193212  2.885338       1.617057  
1 1 1 -4  32 25 f 53.99825 0.8138717 29.24812       0.8784271 28.40860       1.216808  30.16181       1.269429  -1.613953      1.627743  
1 1 1 -4  32 26 f 35.78344 0.7881290 12.84236       0.5633795 13.74698       0.8097947 11.99382       0.7842950 2.445129       1.576258  
1 1 1 -4  32 27 o 58.06151 0.8410199 33.85672       0.9764144 33.21192       1.364056  34.53431       1.398297  -1.132019      1.682040  
1 1 1 -4  32 28 o 46.63773 0.8031340 21.79812       0.7482320 22.98917       1.090438  20.73835       1.028588  2.400753       1.606268  
1 1 1 -4  32 29 o 14.08997 1.294313  1.982690       0.3623460 2.272130       0.5507118 1.761735       0.4811691 1.788666       2.588627  
1 1 1 -4  32 30 o 72.27837 0.9381822 52.54447       1.355724  53.08401       1.947357  52.03702       1.888561  0.7108154      1.876364  
1 1 1 -4  32 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  33 1  o 22.16442 0.8755960 4.930629       0.3876521 4.602848       0.5429816 5.271381       0.5536188 -1.506475      1.751192  
1 1 1 -4  33 2  o 96.84996 1.117577  94.20280       2.161350  91.30721       2.958668  97.51629       3.164971  -3.164696      2.235154  
1 1 1 -4  33 3  o 84.55270 1.008914  71.72353       1.703640  69.54137       2.334579  74.20933       2.491711  -2.732300      2.017829  
1 1 1 -4  33 4  o 65.66531 0.8566697 43.27102       1.124780  42.98362       1.570743  43.57348       1.611394  -0.4429703     1.713339  
1 1 1 -4  33 5  o 42.45049 0.7384764 18.01592       0.6258792 19.54045       0.9116283 16.65662       0.8608101 3.390041       1.476953  
1 1 1 -4  33 6  o 18.71783 0.9620888 3.525507       0.3593063 3.614850       0.4952434 3.426215       0.5220906 0.5084839      1.924178  
1 1 1 -4  33 7  o 63.93392 0.8444088 40.88814       1.077768  43.31956       1.583424  38.78930       1.471150  3.525944       1.688818  
1 1 1 -4  33 8  f 41.11526 0.7388027 16.95000       0.6071362 16.90392       0.8432019 16.99961       0.8749165 -0.1121483     1.477605  
1 1 1 -4  33 9  o 45.83058 0.7488399 20.60700       0.6782841 18.11017       0.8808689 24.24378       1.063102  -6.666698      1.497680  
1 1 1 -4  33 10 o 29.09608 0.7675914 8.473138       0.4456870 8.227630       0.6069634 8.760395       0.6565458 -0.9084892     1.535183  
1 1 1 -4  33 11 o 73.80876 1.115306  55.52209       1.587205  52.14014       2.573510  57.59821       2.016365  -3.812683      2.230613  
1 1 1 -4  33 12 o 30.26373 1.068163  9.061036       0.6409957 7.787378       0.8474516 10.76399       0.9799179 -4.890648      2.136326  
1 1 1 -4  33 13 o 62.77467 1.182099  39.66887       1.483175  40.89957       2.144815  38.54102       2.053235  1.857395       2.364197  
1 1 1 -4  33 14 f 18.31993 1.037281  3.413407       0.3712529 4.320079       0.5312343 2.547882       0.5190399 4.834351       2.074562  
1 1 1 -4  33 15 o 51.77696 0.7817391 26.79188       0.8078395 28.74597       1.189176  25.11729       1.100845  3.490356       1.563478  
1 1 1 -4  33 16 o 22.66727 0.8888305 5.158753       0.4028510 5.033790       0.5626164 5.290229       0.5770942 -0.5630627     1.777661  
1 1 1 -4  33 17 f 11.53185 1.556905  1.372344       0.3510625 1.579087       0.5059951 1.180455       0.4874772 1.917396       3.113809  
1 1 1 -4  33 18 o 36.83293 0.7686799 13.61864       0.5661567 13.46429       0.8051649 13.76958       0.7962427 -0.4159431     1.537360  
1 1 1 -4  33 19 o 7.109330 1.815728  0.4270382      0.3354191 0.2984344      0.4840977 0.5457852      0.4651765 -0.9356523     3.631457  
1 1 1 -4  33 20 o 43.97310 0.7782111 19.37589       0.6837936 20.25261       0.9926498 18.58418       0.9432971 1.888626       1.556422  
1 1 1 -4  33 21 f 14.78355 1.267633  2.249980       0.3673853 1.836031       0.5377408 2.612327       0.5031091 -2.635111      2.535266  
1 1 1 -4  33 22 o 26.17505 0.8551186 6.859375       0.4443392 8.094710       0.6491147 5.770106       0.6095325 4.432827       1.710237  
1 1 1 -4  33 23 o 23.76503 0.8998343 5.670243       0.4271767 6.077401       0.6157458 5.292448       0.5931273 1.646702       1.799669  
1 1 1 -4  33 24 o 41.57989 0.7784624 17.35628       0.6472197 17.61155       0.9274331 17.11393       0.9036441 0.5938187      1.556925  
1 1 1 -4  33 25 o 51.02895 0.8040213 26.03837       0.8184541 27.89192       1.211688  24.48306       1.109933  3.319481       1.608043  
1 1 1 -4  33 26 o 29.88220 0.8427724 8.971404       0.5034960 8.639515       0.7067041 9.313528       0.7175207 -1.125551      1.685545  
1 1 1 -4  33 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  33 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  34 1  o 64.79767 0.8580558 42.10707       1.110611  41.11802       1.526137  43.22052       1.619280  -1.606335      1.716112  
1 1 1 -4  34 2  f 54.25706 0.7937298 29.48279       0.8600854 28.46282       1.178713  30.64427       1.257826  -1.997704      1.587460  
1 1 1 -4  34 3  f 65.85828 0.8630636 43.55627       1.136786  43.52952       1.603740  43.58328       1.611604  -0.3945923E-01 1.726127  
1 1 1 -4  34 4  o 73.64570 0.9253708 54.29531       1.359345  51.84368       1.842337  57.22483       2.013908  -3.621506      1.850742  
1 1 1 -4  34 5  o 21.60247 0.9152490 4.693313       0.3950127 4.813283       0.5507576 4.566228       0.5668546 0.5747871      1.830498  
1 1 1 -4  34 6  f 57.77571 0.9765493 34.06016       1.093896  31.38725       1.739659  35.80812       1.406817  -3.890892      1.953099  
1 1 1 -4  34 7  o 55.67548 1.106572  31.20578       1.231907  32.10192       1.760536  30.34605       1.724386  1.568665       2.213145  
1 1 1 -4  34 8  o 42.03403 0.9652458 17.27939       0.7857627 15.95349       0.9791768 19.67753       1.316872  -4.361736      1.930492  
1 1 1 -4  34 9  o 34.91970 0.7554255 12.21260       0.5270768 11.58836       0.7278327 12.90096       0.7643023 -1.873566      1.510851  
1 1 1 -4  34 10 o 46.73847 0.7606603 21.76000       0.7082131 20.07975       0.9514711 23.84742       1.060506  -4.012444      1.521321  
1 1 1 -4  34 11 o 70.48544 0.9013763 49.80521       1.268241  47.93586       1.729816  51.97798       1.864920  -2.840218      1.802753  
1 1 1 -4  34 12 o 8.064377 1.810947  0.6424020      0.3349940 0.4583177      0.4715681 0.8299380      0.4759687 -1.684595      3.621894  
1 1 1 -4  34 13 o 72.03577 0.9148002 52.00480       1.315283  49.78670       1.791695  54.59719       1.936971  -3.309464      1.829600  
1 1 1 -4  34 14 o 79.09721 0.9729146 62.93241       1.539092  63.06211       2.179889  62.80349       2.173335  0.1620865      1.945829  
1 1 1 -4  34 15 o 65.75797 0.8691404 43.24897       1.139651  41.01559       1.540797  45.94669       1.693411  -3.720009      1.738281  
1 1 1 -4  34 16 o 43.12666 0.7601848 18.66003       0.6554628 18.39061       0.9128289 18.94680       0.9417776 -0.6398735     1.520370  
1 1 1 -4  34 17 o 42.60664 0.7622706 18.18911       0.6488920 19.33924       0.9390097 17.13788       0.8977254 2.576099       1.524541  
1 1 1 -4  34 18 f 25.25656 0.8613843 6.405450       0.4349335 6.181011       0.6057702 6.644250       0.6248512 -0.9131889     1.722769  
1 1 1 -4  34 19 o 51.10009 0.7945618 26.22300       0.8119885 26.62415       1.155380  25.83150       1.141398  0.7728653      1.589124  
1 1 1 -4  34 20 o 55.49546 0.8214166 30.81953       0.9094695 29.19718       1.234483  32.74531       1.344977  -3.173882      1.642833  
1 1 1 -4  34 21 o 34.95150 0.7806678 12.26674       0.5456610 12.39755       0.7781088 12.14017       0.7654100 0.3657341      1.561336  
1 1 1 -4  34 22 o 97.05484 1.136666  94.94463       2.204829  92.72177       3.049581  97.37913       3.191454  -2.360001      2.273332  
1 1 1 -4  34 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  34 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  35 1  o 19.41123 1.242736  3.775990       0.4787922 3.173001       0.6495146 4.493594       0.7085608 -3.385216      2.485471  
1 1 1 -4  35 2  o 33.85470 1.016711  11.52245       0.6878584 11.19554       0.9498498 11.88295       0.9974524 -1.004356      2.033422  
1 1 1 -4  35 3  o 22.23206 1.095238  5.048601       0.4598768 5.198102       0.5688816 4.766653       0.7812390 1.021591       2.190476  
1 1 1 -4  35 4  o 25.23323 1.128857  6.451269       0.5114908 6.493455       0.6040394 6.344364       0.9615626 0.3838234      2.257714  
1 1 1 -4  35 5  o 30.63250 1.187010  9.418271       0.7240967 10.74040       1.063433  8.275439       0.9887004 4.003405       2.374021  
1 1 1 -4  35 6  f 39.34808 1.111225  15.59473       0.8739707 16.37211       1.252761  14.85764       1.219858  1.916134       2.222450  
1 1 1 -4  35 7  o 30.93178 1.167504  9.601330       0.7202159 8.968776       0.9750216 10.36093       1.068457  -2.225359      2.335008  
1 1 1 -4  35 8  o 27.46245 1.005080  7.424081       0.5236737 8.116251       0.9136286 7.085414       0.6390710 1.813440       2.010160  
1 1 1 -4  35 9  o 63.32999 0.8560978 40.12890       1.081299  38.11009       1.463849  42.55320       1.604136  -3.479874      1.712196  
1 1 1 -4  35 10 o 51.47631 0.7888697 26.57875       0.8117086 27.67676       1.170340  25.56100       1.126758  2.046951       1.577739  
1 1 1 -4  35 11 o 33.28733 0.7798798 11.12376       0.5190949 11.00626       0.7253753 11.24710       0.7431704 -0.3584213     1.559760  
1 1 1 -4  35 12 o 18.41095 1.022653  3.417917       0.3754148 3.755013       0.5344640 3.089623       0.5274390 1.805285       2.045306  
1 1 1 -4  35 13 o 22.38485 0.9038256 5.043242       0.4043661 4.891262       0.5762299 5.190698       0.5675883 -0.6707973     1.807651  
1 1 1 -4  35 14 o 32.13974 0.7979216 10.37859       0.5126991 10.45682       0.7166994 10.29659       0.7337327 0.2527084      1.595843  
1 1 1 -4  35 15 o 24.72169 0.8773372 6.080337       0.4303463 5.108200       0.5794187 7.276378       0.6426903 -4.371433      1.754674  
1 1 1 -4  35 16 o 36.98032 0.7752871 13.46700       0.5675368 11.31880       0.7481733 16.37836       0.8709906 -6.817654      1.550574  
1 1 1 -4  35 17 o 25.28263 1.124567  6.464612       0.5278135 6.403323       0.9386446 6.492954       0.6382858 -0.2584763     2.249134  
1 1 1 -4  35 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  35 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  36 1  o 44.30946 0.7727152 19.59520       0.6821495 22.15773       1.005884  17.41319       0.9282018 5.339222       1.545430  
1 1 1 -4  36 2  o 32.76387 0.7862511 10.73446       0.5140307 10.09259       0.6987998 11.49129       0.7587997 -2.122980      1.572502  
1 1 1 -4  36 3  f 51.96787 0.7956755 27.09335       0.8264148 28.52029       1.189991  25.76402       1.148564  2.643848       1.591351  
1 1 1 -4  36 4  o 72.52899 0.9251282 52.90344       1.341820  53.90717       1.913602  51.93256       1.882031  1.354126       1.850256  
1 1 1 -4  36 5  f 41.42776 0.7749762 17.24189       0.6417997 17.69952       0.9026600 16.77402       0.9127072 1.118900       1.549952  
1 1 1 -4  36 6  o 86.68536 1.042710  75.70377       1.807666  75.33150       2.541682  76.08480       2.571430  -0.4269257     2.085419  
1 1 1 -4  36 7  o 8.962615 2.004941  0.8171175      0.3974198 0.7724767      0.6386839 0.8453232      0.5076771 -0.8364105E-01 4.009881  
1 1 1 -4  36 8  o 59.76778 1.502566  35.13352       1.612981  38.93407       3.116002  33.74238       1.885214  3.894070       3.005132  
1 1 1 -4  36 9  o 51.89287 2.429386  0.000000       0.000000  ?              ?         27.48929       2.521356  ?              ?         
1 1 1 -4  36 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -4  36 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  0  1  o 321.7492 4.743548  1033.918       30.40122  1085.820       45.17376  990.9510       41.10178  -0.000000      0.000000  
1 1 1 -3  0  2  o 287.0710 4.257443  825.3057       24.39796  810.6359       33.68046  841.5032       35.39091  -0.000000      0.000000  
1 1 1 -3  0  3  o 60.01634 0.9785258 36.07458       1.173062  36.39410       1.672359  35.76509       1.645878  -0.000000      0.000000  
1 1 1 -3  0  4  o 87.90981 1.357704  77.39585       2.384493  76.96892       3.355216  77.83153       3.389409  -0.000000      0.000000  
1 1 1 -3  0  5  o 224.9431 3.323710  506.1083       14.91702  522.1111       21.80455  492.0293       20.45206  -0.000000      0.000000  
1 1 1 -3  0  6  f 219.8604 3.255880  484.2885       14.30265  486.5773       20.27951  482.0232       20.17491  -0.000000      0.000000  
1 1 1 -3  0  7  o 393.2191 5.805504  1547.907       45.52090  1597.914       66.91959  1504.842       62.10251  -0.000000      0.000000  
1 1 1 -3  0  8  o 486.1982 7.201539  2342.301       69.17229  2576.037       107.9279  2179.358       90.11334  -0.000000      0.000000  
1 1 1 -3  0  9  o 221.5972 3.277541  491.9706       14.51162  490.1131       20.47555  493.8451       20.56984  -0.000000      0.000000  
1 1 1 -3  0  10 o 171.7125 2.558174  294.9361       8.766117  287.5150       12.04859  303.2826       12.77785  -0.000000      0.000000  
1 1 1 -3  0  11 o 282.9213 4.168987  801.9673       23.56093  812.4868       33.78567  792.0084       32.87342  -0.000000      0.000000  
1 1 1 -3  0  12 o 44.29814 0.8170695 19.66388       0.7227978 19.68065       1.024171  19.64723       1.020221  -0.000000      0.000000  
1 1 1 -3  0  13 o 128.4502 2.742144  165.2474       7.037433  165.2474       7.037433  165.2474       7.037433  -0.000000      0.000000  
1 1 1 -3  0  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  0  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  0  18 o 90.66675 2.021798  82.26932       3.651921  79.40578       4.990914  85.56930       5.357772  -0.000000      0.000000  
1 1 1 -3  0  19 f 501.3239 7.369777  2520.330       73.82091  2517.254       104.1220  2523.440       104.6773  -0.000000      0.000000  
1 1 1 -3  0  20 o 457.4558 6.728971  2094.828       61.42366  2036.668       84.30650  2160.631       89.67410  -0.000000      0.000000  
1 1 1 -3  0  21 o 409.1464 6.016848  1677.531       49.17001  1654.596       68.44437  1701.991       70.68348  -0.000000      0.000000  
1 1 1 -3  0  22 o 153.9410 2.315340  237.3264       7.120886  235.4822       10.00218  239.2218       10.14014  -0.000000      0.000000  
1 1 1 -3  0  23 o 303.7783 4.484445  922.7173       27.16201  955.8280       39.98017  894.3334       37.01656  -0.000000      0.000000  
1 1 1 -3  0  24 o 183.5594 2.734198  337.4623       10.02634  334.5145       14.03607  340.5336       14.32718  -0.000000      0.000000  
1 1 1 -3  0  25 f 518.1110 7.663573  2655.857       78.20391  2467.733       101.0000  2937.494       123.5793  -0.000000      0.000000  
1 1 1 -3  0  26 o 241.2402 3.570125  582.9521       17.20062  592.9018       24.77341  573.6912       23.90075  -0.000000      0.000000  
1 1 1 -3  0  27 f 279.6275 4.129844  783.9371       23.07175  778.2929       32.36522  789.7687       32.89806  -0.000000      0.000000  
1 1 1 -3  0  28 o 185.5517 2.767642  344.8905       10.25793  340.1593       14.30966  349.8918       14.71252  -0.000000      0.000000  
1 1 1 -3  0  29 o 13.46358 1.116475  1.881999       0.2932517 1.788096       0.4025562 1.988176       0.4280586 -0.000000      0.000000  
1 1 1 -3  0  30 o 288.2010 4.257089  833.2113       24.51065  825.2653       34.31950  841.4839       35.01764  -0.000000      0.000000  
1 1 1 -3  0  31 o 145.2041 2.192204  211.1276       6.356820  214.8955       9.161510  207.6294       8.827586  -0.000000      0.000000  
1 1 1 -3  0  32 o 84.31142 1.354119  71.16483       2.279788  69.68235       3.168771  72.75560       3.282446  -0.000000      0.000000  
1 1 1 -3  0  33 f 21.84448 0.9141057 4.822068       0.3963871 4.809180       0.5551646 4.835471       0.5661487 -0.000000      0.000000  
1 1 1 -3  0  34 f 238.8645 3.544318  572.0968       16.90830  562.4500       23.49920  582.4525       24.34724  -0.000000      0.000000  
1 1 1 -3  0  35 o 30.19151 0.9072390 9.166443       0.5452982 9.148817       0.7855523 9.182833       0.7575461 -0.000000      0.000000  
1 1 1 -3  0  36 o 32.56727 0.9148281 10.65700       0.5937897 10.82070       0.8443973 10.49687       0.8351695 -0.000000      0.000000  
1 1 1 -3  0  37 o 79.77597 1.310198  63.76448       2.087672  64.09396       2.979595  63.44675       2.925965  -0.000000      0.000000  
1 1 1 -3  0  38 f 129.5111 1.979762  168.1390       5.122458  167.2339       7.203526  169.0648       7.285674  -0.000000      0.000000  
1 1 1 -3  0  39 o 73.33043 1.233723  53.89038       1.807079  53.42758       2.548914  54.35805       2.562331  -0.000000      0.000000  
1 1 1 -3  0  40 f 18.31344 1.126321  3.426483       0.4062619 3.317466       0.5611195 3.546592       0.5889741 -0.000000      0.000000  
1 1 1 -3  0  41 o 41.47374 0.9263820 17.25942       0.7667095 17.18929       1.086148  17.32907       1.082444  -0.000000      0.000000  
1 1 1 -3  0  42 o 58.11414 1.062749  33.85842       1.233193  34.00698       1.761233  33.71554       1.727259  -0.000000      0.000000  
1 1 1 -3  0  43 o 6.263878 2.184137  0.5633098      0.3423318 0.7736285      0.4809972 0.3474208      0.4873253 -0.000000      0.000000  
1 1 1 -3  0  44 o 5.838952 2.174474  0.4594063      0.3417261 0.2790644      0.4538472 0.6955006      0.5192829 -0.000000      0.000000  
1 1 1 -3  0  45 f 109.8251 3.470363  121.5298       7.605923  121.5298       7.605923  121.5298       7.605923  -0.000000      0.000000  
1 1 1 -3  0  46 o 100.8463 1.603615  102.0558       3.230178  103.0827       4.619640  101.0734       4.518368  -0.000000      0.000000  
1 1 1 -3  0  47 o 9.586371 2.313093  1.196433       0.3967553 1.221939       0.5440804 1.167466       0.5798166 -0.000000      0.000000  
1 1 1 -3  0  48 o 31.63104 0.9933345 10.08129       0.6252986 9.733849       0.8888450 10.42173       0.8798352 -0.000000      0.000000  
1 1 1 -3  0  49 o 166.3508 2.530769  279.1178       8.407588  283.6677       12.10445  274.8765       11.68680  -0.000000      0.000000  
1 1 1 -3  0  50 o 88.74341 1.458817  79.07825       2.585003  80.37450       3.720970  77.86906       3.593838  -0.000000      0.000000  
1 1 1 -3  0  51 o 8.684371 1.827990  0.8355898      0.4171436 -0.1856878     0.5744150 1.975175       0.6067744 -0.000000      0.000000  
1 1 1 -3  0  52 o 45.84116 1.367699  21.40261       1.155597  21.76385       1.398964  20.62668       2.050330  -0.000000      0.000000  
1 1 1 -3  0  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  0  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  0  55 f 8.389245 2.936769  1.065692       0.5774224 0.4951207      1.330167  1.198176       0.6409638 -0.000000      0.000000  
1 1 1 -3  0  56 o 73.78757 1.330012  54.39537       1.947623  58.02662       2.957968  51.61628       2.587723  -0.000000      0.000000  
1 1 1 -3  0  57 f 25.49602 1.333100  6.533763       0.6608845 7.165061       1.053588  6.124229       0.8485918 -0.000000      0.000000  
1 1 1 -3  0  58 o 56.99319 1.202024  32.53073       1.359113  34.08045       2.056991  31.32997       1.810642  -0.000000      0.000000  
1 1 1 -3  0  59 o 18.36901 2.285770  3.238716       0.6655748 4.540307       1.412928  2.867530       0.7545338 -0.000000      0.000000  
1 1 1 -3  0  60 o 6.552446 3.954167  0.4755095      0.9246261 0.4755095      0.9246261 0.4755095      0.9246261 -0.000000      0.000000  
1 1 1 -3  0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  0  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  1  1  o 229.7958 2.417037  525.8876       11.06259  502.5821       14.86018  554.8600       16.56861  -11.35895      4.834074  
1 1 1 -3  1  2  f 40.54655 0.5245678 16.43487       0.4253027 16.15107       0.5942242 16.73294       0.6089850 -0.7175026     1.049136  
1 1 1 -3  1  3  f 329.2234 3.756185  1082.078       24.33205  1066.655       31.58221  1104.603       38.16684  -5.668365      7.512369  
1 1 1 -3  1  4  o 214.6422 2.240685  460.2800       9.607246  474.2017       14.00725  447.9131       13.20189  6.116867       4.481371  
1 1 1 -3  1  5  f 325.7557 3.400469  1050.508       21.94033  982.0908       28.74043  1146.073       33.96699  -25.10141      6.800939  
1 1 1 -3  1  6  o 309.6466 3.236770  951.9409       19.89262  899.7354       26.27887  1022.003       30.44310  -19.69159      6.473541  
1 1 1 -3  1  7  o 371.7009 3.877037  1381.839       28.79236  1426.428       41.88865  1341.906       39.64132  11.33652       7.754075  
1 1 1 -3  1  8  o 327.3918 3.729170  1045.486       23.43952  1171.332       40.03701  979.8594       28.91230  29.08588       7.458340  
1 1 1 -3  1  9  o 262.5915 3.394856  672.6583       16.18668  732.5709       30.64415  649.4731       19.06308  15.67709       6.789712  
1 1 1 -3  1  10 o 43.84008 0.6935762 18.07312       0.5453937 21.83048       1.076815  16.77667       0.6325259 5.762772       1.387152  
1 1 1 -3  1  11 o 362.2692 5.341809  1316.073       38.69228  1325.497       55.47258  1307.145       53.99560  2.503723       10.68362  
1 1 1 -3  1  12 o 159.2279 2.370677  252.8351       7.528263  243.1805       10.19845  264.3950       11.15948  -6.653671      4.741354  
1 1 1 -3  1  13 f 135.8135 2.037519  184.4606       5.532823  182.2469       7.714235  186.8058       7.939825  -1.676971      4.075037  
1 1 1 -3  1  14 o 362.7600 4.654824  1313.865       31.57051  1306.571       38.30438  1329.317       55.74900  -2.939880      9.309649  
1 1 1 -3  1  15 o 651.8141 7.892193  4260.554       102.8291  4177.760       142.6157  4350.202       148.4014  -13.13672      15.78439  
1 1 1 -3  1  16 o 407.1790 5.206996  1646.102       39.61843  1621.165       47.93482  1699.858       70.37928  -9.452606      10.41399  
1 1 1 -3  1  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  1  18 o 184.2059 2.734690  338.2277       10.04373  324.8162       13.57979  354.4235       14.92299  -8.029282      5.469380  
1 1 1 -3  1  19 o 426.7106 6.263321  1820.321       53.33692  1760.303       72.63412  1890.559       78.57530  -15.18863      12.52664  
1 1 1 -3  1  20 f 326.0446 4.791903  1064.515       31.24745  1065.342       44.22405  1063.691       44.15718  0.2524719      9.583805  
1 1 1 -3  1  21 o 245.0379 3.146858  596.0455       14.36103  613.9382       25.65911  587.8842       17.32948  5.254395       6.293716  
1 1 1 -3  1  22 o 242.7991 2.533539  589.2111       12.29192  603.2214       17.83710  576.5409       16.96265  5.488327       5.067079  
1 1 1 -3  1  23 o 285.7713 2.976760  816.9091       17.00649  829.8688       24.47206  804.8049       23.65059  4.377686       5.953521  
1 1 1 -3  1  24 o 225.1053 2.353645  506.7836       10.59199  514.6218       15.24187  499.4631       14.72992  3.362610       4.707289  
1 1 1 -3  1  25 o 446.9779 4.650317  2000.789       41.52782  1954.088       57.18234  2052.909       60.40881  -10.98917      9.300633  
1 1 1 -3  1  26 o 254.1260 2.650362  646.1959       13.46590  637.4044       18.75277  655.5547       19.34851  -3.563141      5.300725  
1 1 1 -3  1  27 o 351.2280 3.653563  1231.497       25.57714  1292.146       38.09504  1181.718       34.51276  15.64450       7.307127  
1 1 1 -3  1  28 o 116.3418 1.260959  134.8011       2.923382  142.0938       4.363167  128.8604       3.938019  5.683624       2.521919  
1 1 1 -3  1  29 o 63.86081 0.7672496 40.78022       0.9798423 40.29154       1.373667  41.28641       1.398068  -0.7787895     1.534499  
1 1 1 -3  1  30 o 131.1930 1.406497  172.1869       3.690340  171.6305       5.195366  172.7534       5.242814  -0.4274292     2.812994  
1 1 1 -3  1  31 o 109.1021 1.188590  119.0202       2.592675  120.9542       3.725509  117.2039       3.610393  1.717598       2.377179  
1 1 1 -3  1  32 f 197.3629 2.073482  388.2320       8.154012  371.3488       10.97845  409.0047       12.17758  -9.517303      4.146963  
1 1 1 -3  1  33 o 175.4903 1.851897  307.4588       6.485610  296.8749       8.829372  319.8614       9.557967  -6.536011      3.703793  
1 1 1 -3  1  34 o 189.8877 1.999860  360.8895       7.592846  356.0131       10.58811  366.0520       10.89425  -2.636749      3.999721  
1 1 1 -3  1  35 o 159.8469 1.695768  255.7488       5.421114  256.7927       7.700798  254.7233       7.632882  0.6459503      3.391536  
1 1 1 -3  1  36 o 65.29877 0.8009492 42.48558       1.043571  40.32590       1.417695  45.03980       1.541763  -3.608074      1.601898  
1 1 1 -3  1  37 o 96.82538 1.079798  92.97614       2.076637  100.6221       3.168858  87.22099       2.749254  6.912865       2.159596  
1 1 1 -3  1  38 o 73.66930 0.8672968 54.26041       1.277312  55.41399       1.839586  53.18649       1.774934  1.510712       1.734594  
1 1 1 -3  1  39 f 52.71216 0.7092149 27.61893       0.7447985 25.86698       1.000936  29.79238       1.114858  -3.721519      1.418430  
1 1 1 -3  1  40 o 50.83412 0.6994197 25.85041       0.7110710 25.70436       1.001406  25.99893       1.009860  -0.2895622     1.398839  
1 1 1 -3  1  41 o 78.41577 0.9148636 61.31610       1.431054  64.52588       2.118743  58.62337       1.940601  3.758125       1.829727  
1 1 1 -3  1  42 o 26.47329 0.6575857 6.963902       0.3466173 7.957383       0.5124096 6.125815       0.4706325 3.458199       1.315171  
1 1 1 -3  1  43 o 123.9893 1.347711  154.0880       3.341997  154.5793       4.740094  153.6024       4.712623  0.3922577      2.695423  
1 1 1 -3  1  44 o 65.08805 0.8127298 42.24846       1.055491  44.62437       1.559446  40.23988       1.433832  3.363068       1.625460  
1 1 1 -3  1  45 o 102.9109 1.630660  106.2705       3.354631  104.2726       4.657376  108.4245       4.835994  -2.001480      3.261320  
1 1 1 -3  1  46 o 30.23993 0.6784999 9.138467       0.4098813 8.542752       0.5688671 9.781634       0.5910907 -2.047510      1.357000  
1 1 1 -3  1  47 f 101.2453 1.135712  102.7286       2.299048  104.3708       3.299658  101.1793       3.205094  1.568581       2.271425  
1 1 1 -3  1  48 o 92.09629 1.053303  84.97555       1.939331  86.52457       2.790683  83.52881       2.696974  1.618912       2.106605  
1 1 1 -3  1  49 o 91.74361 1.054090  84.29974       1.932464  86.63377       2.804065  82.18845       2.666924  2.410255       2.108181  
1 1 1 -3  1  50 o 20.53618 1.015215  3.799395       0.3908686 5.570990       0.7249005 3.073183       0.4641176 6.054806       2.030430  
1 1 1 -3  1  51 o 22.79541 1.142056  5.203238       0.5198005 5.641448       0.7551693 4.808682       0.7165668 1.821905       2.284111  
1 1 1 -3  1  52 o 43.52694 0.9498470 18.74001       0.8109571 17.73991       1.037509  20.31058       1.300170  -2.923420      1.899694  
1 1 1 -3  1  53 o 49.03341 0.7626593 24.01054       0.7466083 22.49947       1.021372  25.74446       1.094103  -3.301682      1.525319  
1 1 1 -3  1  54 o 39.29474 0.7594779 15.47999       0.5963884 15.35445       0.8589348 15.59685       0.8287178 -0.3115997     1.518956  
1 1 1 -3  1  55 o 39.69417 1.046229  15.82492       0.8302914 15.72774       1.157394  15.92797       1.191779  -0.2469444     2.092458  
1 1 1 -3  1  56 o 42.32765 1.054891  18.00729       0.8929118 18.40664       1.268831  17.61548       1.256790  0.9324837      2.109782  
1 1 1 -3  1  57 o 34.32759 0.7983093 11.85703       0.5462554 11.24191       0.7920496 12.41502       0.7543705 -1.713993      1.596619  
1 1 1 -3  1  58 o 36.67991 0.8782618 13.38325       0.6382324 14.38924       0.9851654 12.65567       0.8378237 2.339199       1.756524  
1 1 1 -3  1  59 o 37.81796 1.129869  14.40952       0.8510972 16.16118       1.220041  12.74902       1.187870  4.504066       2.259737  
1 1 1 -3  1  60 o 53.70443 1.633083  29.08485       1.754076  29.08485       1.754076  ?              ?         ?              ?         
1 1 1 -3  1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  1  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  2  1  o 315.9341 3.297542  980.7182       20.51274  1102.757       32.63200  900.9902       26.37540  31.85260       6.595084  
1 1 1 -3  2  2  o 381.9744 4.005676  1453.246       30.46456  1546.682       45.76559  1378.900       40.82349  21.88647       8.011352  
1 1 1 -3  2  3  o 293.2873 3.340354  852.7628       19.17013  901.0518       30.81829  822.2858       24.48331  13.34729       6.680709  
1 1 1 -3  2  4  o 409.2682 5.300044  1667.770       40.71683  1715.705       71.62695  1644.885       49.49092  8.209442       10.60009  
1 1 1 -3  2  5  o 324.4738 3.731017  974.7912       21.96523  878.5959       25.56126  1246.351       42.94756  -56.42221      7.462035  
1 1 1 -3  2  6  o 360.5906 4.514388  1323.766       31.90178  1180.792       48.68248  1431.368       42.23354  -34.85425      9.028776  
1 1 1 -3  2  7  o 83.37289 1.299458  69.42657       2.164825  71.72080       3.144418  67.35926       2.984860  2.614899       2.598916  
1 1 1 -3  2  8  o 384.8622 5.695069  1466.430       43.27263  1370.720       56.13414  1606.607       67.93388  -30.39267      11.39014  
1 1 1 -3  2  9  o 295.4416 4.348197  868.3099       25.53164  822.0849       33.91649  928.7608       38.78582  -17.97427      8.696393  
1 1 1 -3  2  10 o 91.63232 1.206220  85.36852       2.161347  91.96869       2.844294  76.34955       3.324877  8.524857       2.412440  
1 1 1 -3  2  11 o 269.2350 3.419585  729.5830       17.51908  738.4275       21.73328  713.1727       29.60371  4.786682       6.839171  
1 1 1 -3  2  12 o 314.5446 3.273458  989.4335       20.57538  968.6227       28.40650  1012.401       29.84255  -6.943237      6.546915  
1 1 1 -3  2  13 o 422.3967 4.407342  1765.275       36.87438  1939.155       57.11663  1641.009       48.28529  35.18204       8.814684  
1 1 1 -3  2  14 o 510.8497 5.301232  2610.544       54.09730  2688.649       78.86479  2541.135       74.34534  14.38394       10.60246  
1 1 1 -3  2  15 o 394.5685 4.103406  1547.380       32.18297  1652.800       48.84560  1466.509       42.78196  23.55942       8.206813  
1 1 1 -3  2  16 o 612.3890 6.380313  3752.242       78.03895  3652.734       107.0891  3864.926       113.9584  -17.24500      12.76063  
1 1 1 -3  2  17 o 482.3693 6.607955  2224.597       58.88100  2612.562       109.8085  2068.029       69.75750  55.94406       13.21591  
1 1 1 -3  2  18 o 291.8523 3.038205  848.4553       17.66705  811.7840       23.78044  893.6278       26.39330  -14.00586      6.076410  
1 1 1 -3  2  19 o 293.8143 3.061082  862.8769       17.97321  843.8365       24.82495  883.8517       26.05559  -6.802032      6.122164  
1 1 1 -3  2  20 o 450.7421 5.659932  2061.594       49.38398  2146.782       63.15018  1927.487       79.23394  24.52139       11.31986  
1 1 1 -3  2  21 o 116.5718 1.773799  135.9024       4.134997  136.9638       5.902429  134.8794       5.794600  0.8935623      3.547599  
1 1 1 -3  2  22 o 83.62953 1.326466  68.93169       2.194591  63.48814       2.860325  76.72236       3.421855  -7.910316      2.652931  
1 1 1 -3  2  23 o 396.0343 5.828408  1573.259       46.16496  1572.085       65.24577  1574.435       65.32855  -0.2951660     11.65682  
1 1 1 -3  2  24 o 42.31465 0.7370265 18.38162       0.6053283 15.47375       0.9303454 20.51639       0.7971362 -5.958878      1.474053  
1 1 1 -3  2  25 o 91.63571 1.019529  83.98263       1.868491  84.18942       2.639684  83.77496       2.645216  0.2261734      2.039057  
1 1 1 -3  2  26 o 96.97249 1.075229  94.04954       2.085282  94.39169       2.963385  93.71395       2.934890  0.3492813      2.150459  
1 1 1 -3  2  27 o 176.3252 1.857871  310.2947       6.537999  322.7552       9.628319  299.6335       8.906110  6.548553       3.715742  
1 1 1 -3  2  28 o 174.7269 1.841504  305.4854       6.434892  303.8146       9.046936  307.1961       9.154643  -0.9662323     3.683008  
1 1 1 -3  2  29 o 142.0145 1.514561  201.3474       4.294098  194.8931       5.865902  208.8000       6.303195  -4.890930      3.029123  
1 1 1 -3  2  30 f 188.7884 1.984814  356.6889       7.493673  359.2078       10.67367  354.2406       10.52324  1.313202       3.969627  
1 1 1 -3  2  31 o 94.30006 1.051446  87.40280       1.956763  80.08449       2.530948  98.27734       3.085196  -9.641380      2.102892  
1 1 1 -3  2  32 o 98.97623 1.091390  97.99293       2.160432  97.93816       3.053610  98.04783       3.057017  -0.5536652E-01 2.182779  
1 1 1 -3  2  33 o 203.4102 2.135653  413.8668       8.680814  404.7370       11.98285  423.9500       12.59291  -4.709793      4.271306  
1 1 1 -3  2  34 o 225.0701 2.358240  507.0710       10.60889  497.5829       14.69867  517.3885       15.32757  -4.383667      4.716480  
1 1 1 -3  2  35 o 206.5038 2.169393  426.4952       8.948626  439.1335       13.05067  415.2804       12.29375  5.755646       4.338785  
1 1 1 -3  2  36 o 273.7959 2.862503  752.1212       15.67391  747.6865       22.02391  756.6722       22.31140  -1.628967      5.725005  
1 1 1 -3  2  37 o 88.10770 1.000037  77.42606       1.758206  81.08762       2.594766  74.31774       2.390708  3.838470       2.000074  
1 1 1 -3  2  38 f 55.71473 0.7375991 30.10712       0.8068484 26.34244       1.028005  36.14675       1.302076  -8.794540      1.475198  
1 1 1 -3  2  39 o 95.86414 1.071755  91.89521       2.053602  94.04356       2.967733  89.92138       2.844640  2.146851       2.143509  
1 1 1 -3  2  40 f 48.57863 0.6871416 23.16295       0.6605725 20.60446       0.8613625 26.81627       1.029289  -6.390125      1.374283  
1 1 1 -3  2  41 o 90.22276 1.021155  81.45559       1.842162  82.62729       2.641355  80.34589       2.570511  1.261871       2.042310  
1 1 1 -3  2  42 o 97.90694 1.095112  95.97416       2.144131  95.10320       3.004720  96.87781       3.060570  -0.9038162     2.190224  
1 1 1 -3  2  43 o 15.97884 0.8921371 2.548576       0.2835461 2.196589       0.3902324 2.942261       0.4126998 -2.332400      1.784274  
1 1 1 -3  2  44 o 88.06938 1.009277  77.59956       1.776544  79.64482       2.570178  75.72836       2.458374  2.217850       2.018555  
1 1 1 -3  2  45 o 113.7167 1.775165  129.1953       4.019075  122.5613       5.384255  137.5427       6.039707  -6.523758      3.550331  
1 1 1 -3  2  46 o 115.0535 1.266076  132.7223       2.912975  131.5413       4.081548  133.9484       4.158672  -1.040062      2.532152  
1 1 1 -3  2  47 f 49.32425 0.7189829 24.34521       0.7091337 24.81685       1.014791  23.89510       0.9913534 0.9331932      1.437966  
1 1 1 -3  2  48 o 57.69119 1.099006  33.33773       1.267346  32.38951       1.756652  34.36703       1.830206  -1.707611      2.198012  
1 1 1 -3  2  49 f 66.38696 1.201868  44.17352       1.594765  42.36440       2.211586  46.13324       2.301795  -2.829124      2.403736  
1 1 1 -3  2  50 o 31.66746 0.9053302 9.975515       0.5453795 9.809307       0.6715764 10.29742       0.9346143 -0.7468224     1.810660  
1 1 1 -3  2  51 o 36.47343 0.7237474 13.27773       0.5263243 11.88872       0.7232279 14.84161       0.7674048 -4.044571      1.447495  
1 1 1 -3  2  52 o 51.72623 0.7670906 26.66912       0.7914974 24.60247       1.075513  29.11074       1.169017  -4.349247      1.534181  
1 1 1 -3  2  53 o 22.31988 0.9015614 4.985889       0.4019782 5.318579       0.5834372 4.685251       0.5546229 1.415319       1.803123  
1 1 1 -3  2  54 o 31.03003 0.7820873 9.656641       0.4846599 9.554029       0.7025617 9.749811       0.6694607 -0.3190536     1.564175  
1 1 1 -3  2  55 o 33.65555 0.7694465 11.35575       0.5175077 11.33013       0.7465177 11.37945       0.7180453 -0.7649231E-01 1.538893  
1 1 1 -3  2  56 o 21.32440 0.9837328 4.561860       0.4192638 4.749065       0.6064253 4.390441       0.5802947 0.8366032      1.967466  
1 1 1 -3  2  57 o 40.02108 1.008821  15.95300       0.7936209 15.35057       1.022869  16.86415       1.257950  -1.849213      2.017643  
1 1 1 -3  2  58 o 44.10981 1.092335  19.48019       0.9607074 18.35780       1.298008  20.83992       1.428661  -2.786980      2.184671  
1 1 1 -3  2  59 o 22.52151 1.199564  5.154868       0.5270861 4.915884       0.8326775 5.314649       0.6808572 -0.9214249     2.399127  
1 1 1 -3  2  60 o 22.79805 1.996683  5.386965       0.7696427 5.441705       0.8824826 5.213037       1.573050  0.7947903      3.993365  
1 1 1 -3  2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  2  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  3  1  o 265.9414 2.770729  707.0093       14.72288  725.7396       21.39150  690.1512       20.29437  6.679443       5.541458  
1 1 1 -3  3  2  o 181.1801 1.900525  324.9895       6.824408  304.8269       8.961030  352.8309       10.53006  -13.23621      3.801050  
1 1 1 -3  3  3  o 337.4357 4.361303  1118.056       27.06947  1199.068       49.93145  1084.335       32.21433  16.71063       8.722607  
1 1 1 -3  3  4  o 355.4164 6.531459  1224.886       41.73553  1369.999       80.76983  1172.028       48.74772  27.06726       13.06292  
1 1 1 -3  3  5  o 277.3556 4.127082  753.7165       22.50505  861.5710       36.04988  684.8416       28.80815  31.74637       8.254164  
1 1 1 -3  3  6  o 224.2529 3.307421  501.2280       14.77613  527.9318       22.09193  479.6114       19.87643  10.74600       6.614841  
1 1 1 -3  3  7  o 336.6376 4.415137  1128.960       29.61007  1278.930       43.61731  1000.769       40.32602  41.26004       8.830274  
1 1 1 -3  3  8  o 207.0246 2.166227  428.4569       8.962107  437.0725       12.98368  420.6162       12.38610  3.969650       4.332454  
1 1 1 -3  3  9  o 104.9470 1.135753  110.1503       2.383829  109.6388       3.358233  110.6698       3.384406  -0.4910889     2.271505  
1 1 1 -3  3  10 o 152.5955 1.610238  231.5003       4.888707  246.2534       7.377558  219.9509       6.527564  8.613327       3.220477  
1 1 1 -3  3  11 o 372.2882 3.880150  1388.028       28.89020  1388.679       40.97942  1387.384       40.73552  0.1706848      7.760300  
1 1 1 -3  3  12 o 96.91742 1.052489  93.88691       2.039187  95.59814       2.936924  92.29401       2.833547  1.704277       2.104978  
1 1 1 -3  3  13 o 144.8590 1.536449  209.7588       4.448878  213.1947       6.419470  206.5835       6.171199  2.280991       3.072898  
1 1 1 -3  3  14 o 401.5515 4.168718  1609.739       33.40500  1553.266       45.46341  1676.003       49.24667  -15.25082      8.337437  
1 1 1 -3  3  15 o 457.6530 4.775980  2092.563       43.63607  2028.473       59.61036  2166.556       64.05000  -15.04697      9.551961  
1 1 1 -3  3  16 o 343.9961 4.128604  1182.263       28.36197  1147.921       38.85624  1221.425       41.49327  -10.66373      8.257209  
1 1 1 -3  3  17 o 559.5613 5.800498  3136.447       64.90653  3161.002       92.66357  3112.794       90.94397  4.288452       11.60100  
1 1 1 -3  3  18 o 382.5400 3.968701  1464.005       30.35208  1442.484       42.23060  1487.001       43.65339  -5.807434      7.937401  
1 1 1 -3  3  19 o 432.3994 4.486175  1871.852       38.79594  1877.949       55.02565  1865.824       54.70723  1.399109       8.972349  
1 1 1 -3  3  20 o 243.7315 2.544804  594.0861       12.40136  586.0268       17.28915  602.6273       17.79827  -3.402527      5.089608  
1 1 1 -3  3  21 o 303.0731 3.154596  914.4545       19.03704  871.9677       25.52831  967.6812       28.57314  -15.76569      6.309192  
1 1 1 -3  3  22 o 220.2534 2.301762  485.3138       10.13914  487.1382       14.40195  483.5211       14.27669  0.8202820      4.603523  
1 1 1 -3  3  23 f 285.1046 3.635968  817.5788       19.66591  825.7498       24.30173  802.0750       33.47507  4.262848       7.271936  
1 1 1 -3  3  24 o 208.7076 2.693284  432.2628       10.48501  425.9026       12.66659  446.1067       18.68756  -4.776581      5.386567  
1 1 1 -3  3  25 o 233.0817 3.444456  543.9692       16.05286  537.5095       22.40756  550.7802       23.00873  -2.837082      6.888913  
1 1 1 -3  3  26 o 128.4296 1.944221  164.7800       4.987750  169.9636       7.274651  160.1814       6.851812  3.803970       3.888443  
1 1 1 -3  3  27 o 116.4547 1.778457  135.6761       4.141765  134.5968       5.807450  136.7932       5.908538  -0.9419098     3.556914  
1 1 1 -3  3  28 o 81.75742 1.135990  66.51286       1.740398  67.85321       3.066493  65.87595       2.113836  1.201286       2.271981  
1 1 1 -3  3  29 o 221.7050 2.320812  491.7667       10.28410  501.9087       14.86596  482.4583       14.24193  4.374878       4.641623  
1 1 1 -3  3  30 o 285.6187 2.977521  815.8525       16.98145  792.1679       23.24217  842.9741       24.87131  -8.856262      5.955041  
1 1 1 -3  3  31 o 62.83060 0.7700346 39.41895       0.9664989 38.24173       1.328364  40.74315       1.408856  -1.990074      1.540069  
1 1 1 -3  3  32 o 113.0291 1.228599  127.7569       2.776474  125.9557       3.868605  129.6703       3.987131  -1.641861      2.457198  
1 1 1 -3  3  33 o 188.5685 1.985292  355.6941       7.482018  348.6818       10.35188  363.3640       10.82640  -3.883469      3.970585  
1 1 1 -3  3  34 o 94.98682 1.060271  90.01660       2.010055  86.75075       2.738288  93.83254       2.959926  -3.725159      2.120543  
1 1 1 -3  3  35 o 51.04198 0.6939667 25.97075       0.7069714 24.75965       0.9627602 27.38803       1.041492  -2.574043      1.387933  
1 1 1 -3  3  36 o 45.32347 0.6678340 20.36143       0.6023340 18.72997       0.8041869 22.44625       0.9090834 -4.098671      1.335668  
1 1 1 -3  3  37 f 102.7497 1.136453  105.6340       2.335312  106.3040       3.320838  104.9785       3.284718  0.6443176      2.272907  
1 1 1 -3  3  38 o 192.4475 2.029543  371.0565       7.807655  364.7163       10.83716  377.8990       11.25826  -3.406845      4.059086  
1 1 1 -3  3  39 o 83.35835 0.9600859 68.65094       1.586133  75.95345       2.451479  63.39275       2.080225  7.525299       1.920172  
1 1 1 -3  3  40 o 13.39338 0.9764526 1.799341       0.2546836 1.293235       0.3485016 2.379444       0.3731101 -4.054299      1.952905  
1 1 1 -3  3  41 o 78.90738 0.9210348 61.31828       1.436757  56.16911       1.867823  68.78009       2.248482  -7.978989      1.842070  
1 1 1 -3  3  42 o 93.84088 1.057644  88.17486       1.984947  87.79613       2.794373  88.56058       2.820081  -0.4061737     2.115288  
1 1 1 -3  3  43 f 62.42979 0.7862923 38.89363       0.9800323 40.88103       1.439210  37.17529       1.338241  2.964272       1.572585  
1 1 1 -3  3  44 o 87.09531 1.415519  75.56464       2.453944  81.17564       3.696185  71.14204       3.281507  5.730095       2.831039  
1 1 1 -3  3  45 o 88.50105 1.445754  78.54474       2.557720  79.60858       3.685872  77.55669       3.552156  1.148605       2.891507  
1 1 1 -3  3  46 o 15.68065 1.472743  2.512430       0.4518549 2.212435       0.6895908 2.738146       0.5981575 -1.684742      2.945487  
1 1 1 -3  3  47 o 60.71946 1.140610  36.90189       1.383964  35.09052       1.914314  38.88529       2.003148  -3.117744      2.281221  
1 1 1 -3  3  48 o 38.92554 0.7012291 15.16658       0.5458632 15.32222       0.7785096 15.01607       0.7655870 0.3925247      1.402458  
1 1 1 -3  3  49 f 54.31310 0.7651972 29.54211       0.8311527 29.09697       1.172843  29.99120       1.178029  -0.8228645     1.530394  
1 1 1 -3  3  50 f 47.65581 0.7351289 22.72127       0.7002752 21.88234       0.9718340 23.62730       1.009943  -1.827915      1.470258  
1 1 1 -3  3  51 o 52.60638 0.7622651 27.70989       0.8016171 28.15557       1.155008  27.29571       1.113450  0.8138046      1.524530  
1 1 1 -3  3  52 o 68.05667 0.8705598 46.41676       1.184682  45.26192       1.655751  47.62807       1.695753  -1.734154      1.741120  
1 1 1 -3  3  53 f 38.76482 0.7363045 15.01676       0.5697383 15.69292       0.8381662 14.43600       0.7767928 1.615177       1.472609  
1 1 1 -3  3  54 o 44.74370 0.7532986 19.99228       0.6725698 21.12522       0.9930281 19.03212       0.9141722 2.330669       1.506597  
1 1 1 -3  3  55 o 26.68872 0.8447935 7.053595       0.4479266 8.238510       0.6762846 6.127540       0.5978665 3.945036       1.689587  
1 1 1 -3  3  56 o 17.41239 1.091915  3.064082       0.3776919 2.898410       0.5584483 3.203748       0.5127473 -0.8852024     2.183830  
1 1 1 -3  3  57 o 49.11256 0.7938385 24.06809       0.7769128 25.66297       1.160564  22.77300       1.045815  2.926109       1.587677  
1 1 1 -3  3  58 o 67.65295 0.9748525 46.16018       1.308810  44.62582       1.958875  47.39750       1.759077  -2.085136      1.949705  
1 1 1 -3  3  59 o 34.09425 1.113776  11.70916       0.7566406 13.07005       1.084248  10.41728       1.056398  3.884121       2.227552  
1 1 1 -3  3  60 o 7.826906 2.446602  -0.1307738     0.6318433 -0.1279735     0.7144316 -0.1408283     1.353768  -2.524270      4.893204  
1 1 1 -3  3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  3  63 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  4  1  o 140.5152 2.096791  197.3394       5.887633  202.1269       8.539448  193.0016       8.128488  3.243851       4.193583  
1 1 1 -3  4  2  o 124.9934 1.885807  155.3563       4.690601  165.2840       7.070736  147.5535       6.268506  7.086838       3.771613  
1 1 1 -3  4  3  o 308.0577 4.556108  845.0715       25.28328  726.5981       29.13937  1205.949       50.85689  -77.42603      9.112215  
1 1 1 -3  4  4  o 358.6779 4.506259  1304.240       31.65038  1372.140       41.42033  1208.963       49.06533  22.87534       9.012519  
1 1 1 -3  4  5  o 190.1121 1.990295  361.5762       7.567558  362.4159       10.71772  360.7414       10.68664  0.4401550      3.980589  
1 1 1 -3  4  6  o 295.2101 3.075880  867.0056       18.06942  923.8770       27.24265  822.3324       24.14490  17.16296       6.151760  
1 1 1 -3  4  7  o 120.3456 1.282533  144.8437       3.086730  145.8345       4.396474  143.8805       4.334771  0.8115311      2.565066  
1 1 1 -3  4  8  o 289.6837 3.011729  836.9344       17.39413  804.1553       23.51230  876.5612       25.85182  -12.47119      6.023458  
1 1 1 -3  4  9  o 266.1727 2.771540  708.8103       14.75026  718.5002       21.15438  699.6417       20.57761  3.536713       5.543080  
1 1 1 -3  4  10 o 41.04864 0.5483857 16.52701       0.4454738 14.64843       0.5810141 19.20649       0.6939012 -5.551807      1.096771  
1 1 1 -3  4  11 o 180.6568 1.898331  324.3788       6.821358  307.8032       9.095490  345.6867       10.31242  -10.47789      3.796662  
1 1 1 -3  4  12 o 185.3027 1.946263  343.4263       7.212323  346.1509       10.28207  340.7872       10.11941  1.446487       3.892527  
1 1 1 -3  4  13 o 407.4867 4.238519  1662.089       34.53754  1669.548       49.32355  1654.914       48.37712  1.787231       8.477038  
1 1 1 -3  4  14 o 389.4929 4.054690  1511.008       31.46612  1439.030       42.33860  1599.820       47.02980  -20.60562      8.109380  
1 1 1 -3  4  15 o 312.9774 3.252269  975.3530       20.27362  931.3940       27.23128  1030.018       30.36677  -15.73709      6.504538  
1 1 1 -3  4  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  4  17 o 582.4494 6.061950  3375.099       70.16599  3198.241       93.17940  3606.726       106.6357  -34.90588      12.12390  
1 1 1 -3  4  18 o 447.2458 4.652311  1999.545       41.56147  2063.388       60.64903  1943.019       57.06787  13.42319       9.304622  
1 1 1 -3  4  19 f 246.4956 2.575154  607.6870       12.69195  614.4628       18.19645  601.2673       17.71163  2.673904       5.150308  
1 1 1 -3  4  20 o 133.2158 1.419602  177.3374       3.779437  181.2148       5.472825  173.8024       5.225603  2.781235       2.839204  
1 1 1 -3  4  21 o 321.9670 3.348234  1036.819       21.54729  1056.858       31.12689  1018.381       29.85765  5.963654       6.696468  
1 1 1 -3  4  22 o 184.2887 1.935226  339.4997       7.128525  333.3340       9.878819  346.1979       10.29667  -3.487656      3.870451  
1 1 1 -3  4  23 o 477.6235 4.960651  2286.947       47.38491  2279.040       66.69679  2295.006       67.33248  -1.659943      9.921303  
1 1 1 -3  4  24 o 307.7332 3.403948  950.1805       20.82147  930.7906       31.04943  966.0251       28.06782  -5.768250      6.807896  
1 1 1 -3  4  25 o 139.3059 1.483866  193.4841       4.123065  185.9905       5.589767  202.4264       6.106184  -5.895386      2.967732  
1 1 1 -3  4  26 f 210.4381 2.204777  442.1483       9.260594  458.7722       13.62446  427.8728       12.62544  7.329178       4.409554  
1 1 1 -3  4  27 o 76.10420 1.081124  57.65428       1.548265  57.12239       1.888133  58.74595       2.705025  -1.060829      2.162247  
1 1 1 -3  4  28 o 188.0284 2.796564  353.8794       10.50970  361.4676       15.19809  346.9255       14.54906  3.852798       5.593127  
1 1 1 -3  4  29 o 76.44671 1.239393  58.45734       1.894829  58.14462       2.661959  58.77856       2.697786  -0.4142761     2.478786  
1 1 1 -3  4  30 o 252.4234 3.732548  638.9088       18.83685  648.5463       27.07728  629.8705       26.22197  3.673889       7.465096  
1 1 1 -3  4  31 o 80.94771 1.112493  66.63268       1.770959  57.10786       2.627302  74.56397       2.397475  -10.78458      2.224987  
1 1 1 -3  4  32 o 78.91325 0.9104279 62.27023       1.436660  63.18162       2.054695  61.39845       2.009545  1.129440       1.820856  
1 1 1 -3  4  33 o 172.8054 1.828605  298.1937       6.307271  309.8295       9.277825  288.1952       8.600311  6.246689       3.657209  
1 1 1 -3  4  34 o 98.84645 1.096749  97.23347       2.159329  92.44926       2.899959  103.1867       3.234932  -5.427193      2.193498  
1 1 1 -3  4  35 o 166.4725 1.763811  276.8500       5.861822  268.0990       8.005594  286.9645       8.606746  -5.652313      3.527621  
1 1 1 -3  4  36 o 176.4478 1.864843  311.3689       6.572994  303.2106       9.033281  320.5489       9.582221  -4.897079      3.729686  
1 1 1 -3  4  37 f 184.8028 1.950280  341.9997       7.205171  336.5465       10.01340  347.8546       10.37555  -3.046890      3.900561  
1 1 1 -3  4  38 o 88.49493 1.004243  77.39547       1.760877  85.29547       2.724063  71.72501       2.307878  7.658066       2.008486  
1 1 1 -3  4  39 o 162.8946 1.867160  266.6692       6.049040  259.5738       8.976815  272.5708       8.186915  -4.028046      3.734321  
1 1 1 -3  4  40 f 68.27841 0.8315212 46.42761       1.131995  43.96738       1.529268  49.40948       1.683604  -3.981110      1.663042  
1 1 1 -3  4  41 o 123.7370 1.344419  153.2164       3.324241  149.5541       4.588118  157.2633       4.823048  -3.104004      2.688839  
1 1 1 -3  4  42 f 77.55413 0.9152508 60.19195       1.419413  59.24935       1.986285  61.17565       2.029106  -1.240189      1.830502  
1 1 1 -3  4  43 o 92.62590 1.494967  85.86622       2.764371  88.95157       4.059112  83.19746       3.775138  3.086166       2.989934  
1 1 1 -3  4  44 o 139.9228 4.317393  0.000000       0.000000  ?              ?         198.4884       12.08204  ?              ?         
1 1 1 -3  4  45 o 59.99314 1.124703  35.07877       1.329069  30.50965       1.708413  42.08333       2.115275  -9.620110      2.249405  
1 1 1 -3  4  46 o 82.01315 0.9622005 67.36103       1.578022  66.36629       2.208220  68.39914       2.255862  -1.236290      1.924401  
1 1 1 -3  4  47 o 131.2802 1.429596  172.8239       3.749492  177.5853       5.456710  168.5648       5.160818  3.405853       2.859192  
1 1 1 -3  4  48 o 57.18834 0.7748570 32.73983       0.8859839 33.15770       1.271771  32.34579       1.234980  0.7075195      1.549714  
1 1 1 -3  4  49 o 80.34428 0.9578736 64.67351       1.538723  63.47469       2.143905  65.94712       2.209755  -1.532890      1.915747  
1 1 1 -3  4  50 o 34.88981 0.7228075 12.16364       0.5036898 12.73027       0.7361396 11.66483       0.6906815 1.523434       1.445615  
1 1 1 -3  4  51 o 77.57344 0.9401960 60.20832       1.456641  57.86684       1.996386  62.87401       2.130115  -3.213326      1.880392  
1 1 1 -3  4  52 o 32.59645 0.7466635 10.45573       0.4824016 12.36063       0.7417372 9.059377       0.6350566 5.053968       1.493327  
1 1 1 -3  4  53 o 55.23136 0.7926069 30.56413       0.8753231 29.91984       1.221726  31.24368       1.254721  -1.194916      1.585214  
1 1 1 -3  4  54 o 59.05709 0.8216198 34.71668       0.9660941 37.66510       1.452919  32.37990       1.293467  4.455944       1.643240  
1 1 1 -3  4  55 f 32.58791 0.7704147 10.57627       0.5003057 11.49936       0.7472923 9.826439       0.6735222 2.558258       1.540829  
1 1 1 -3  4  56 o 48.20398 0.7781960 23.16310       0.7472405 24.86435       1.119569  21.79644       1.003456  3.166580       1.556392  
1 1 1 -3  4  57 o 7.687416 1.765964  0.4417808      0.3407495 1.011607       0.5297191 0.3955648E-01  0.4450496 4.236402       3.531927  
1 1 1 -3  4  58 o 6.805316 1.931982  0.1232548E-01  0.4242613 0.6241386      0.6719649 -0.3932327     0.5470963 3.394619       3.863965  
1 1 1 -3  4  59 o 52.34820 1.143952  27.51502       1.195118  26.16355       1.626382  29.10140       1.762065  -2.774010      2.287905  
1 1 1 -3  4  60 o 14.42223 2.485497  2.501683       0.6769237 2.882322       0.7757939 1.287330       1.385679  4.833022       4.970995  
1 1 1 -3  4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  5  1  o 286.8213 2.992126  823.2455       17.15783  816.4652       23.90193  830.4539       24.64479  -2.430237      5.984252  
1 1 1 -3  5  2  o 306.9576 3.208601  941.9669       19.67163  919.8964       27.00640  966.9123       28.71161  -7.637909      6.417202  
1 1 1 -3  5  3  o 227.4286 2.373167  516.2150       10.77063  498.7907       14.66050  536.6481       15.87595  -8.312119      4.746333  
1 1 1 -3  5  4  o 339.5534 3.567813  1121.942       23.66841  1013.622       29.87292  1304.605       38.79255  -42.72870      7.135625  
1 1 1 -3  5  5  o 42.37957 0.5586912 16.24613       0.4466339 23.59071       0.8153399 13.09737       0.5338573 12.37959       1.117382  
1 1 1 -3  5  6  o 75.81881 0.8519660 57.45250       1.291348  58.70414       1.859745  56.28717       1.794486  1.593704       1.703932  
1 1 1 -3  5  7  o 387.9111 4.039174  1490.379       31.02307  1395.881       40.59898  1622.986       48.09351  -29.16220      8.078347  
1 1 1 -3  5  8  o 320.2798 3.337239  1026.209       21.36235  1045.336       30.89349  1008.684       29.57170  5.706329       6.674477  
1 1 1 -3  5  9  o 152.4594 1.608159  232.4116       4.902052  229.3829       6.831517  235.6264       7.038201  -2.046509      3.216319  
1 1 1 -3  5  10 f 160.2926 1.689524  256.9499       5.415369  254.7164       7.573599  259.2864       7.746297  -1.424698      3.379048  
1 1 1 -3  5  11 o 229.5001 2.394253  526.0049       10.97379  542.9541       16.04360  511.1036       15.04323  6.933334       4.788505  
1 1 1 -3  5  12 o 228.4024 2.382803  521.6293       10.88068  529.4260       15.64484  514.3251       15.14265  3.303329       4.765605  
1 1 1 -3  5  13 o 289.1132 3.006423  835.8105       17.37597  822.2744       24.13984  850.3647       25.03104  -4.853058      6.012847  
1 1 1 -3  5  14 f 483.3033 5.540243  2209.052       49.59581  2017.300       58.72886  2685.797       92.60297  -68.81619      11.08049  
1 1 1 -3  5  15 o 445.8757 9.275971  1988.663       82.40866  1904.367       110.9595  2092.355       123.0652  -20.86740      18.55194  
1 1 1 -3  5  16 o 383.4805 3.986855  1466.539       30.48172  1408.868       41.20444  1536.249       45.30158  -16.57654      7.973709  
1 1 1 -3  5  17 o 220.4179 2.314417  485.7285       10.19775  478.2349       14.16030  493.8024       14.69834  -3.528870      4.628833  
1 1 1 -3  5  18 o 438.8111 4.553934  1927.708       39.96152  1941.920       57.03759  1914.006       56.00481  3.170715       9.107868  
1 1 1 -3  5  19 o 149.1916 1.580010  222.1564       4.706283  215.2716       6.432325  230.0881       6.904063  -4.963821      3.160020  
1 1 1 -3  5  20 o 311.7128 3.506599  969.8589       21.54382  988.1149       33.58538  957.0949       28.08282  4.924866       7.013198  
1 1 1 -3  5  21 o 290.6688 3.024906  844.7570       17.57152  826.8290       24.28774  864.4465       25.45295  -6.460388      6.049813  
1 1 1 -3  5  22 o 317.8432 3.306395  1011.310       21.01830  1010.623       29.72000  1011.998       29.72872  -0.2162476     6.612790  
1 1 1 -3  5  23 o 178.6666 1.881630  318.1687       6.701910  333.3306       9.968048  305.6608       9.053658  7.736511       3.763261  
1 1 1 -3  5  24 o 360.4928 3.746683  1301.162       26.99839  1279.061       37.45284  1325.071       38.95440  -6.355255      7.493366  
1 1 1 -3  5  25 o 542.9268 5.674794  2958.577       61.57037  2880.615       85.02295  3044.541       89.28025  -14.96771      11.34959  
1 1 1 -3  5  26 o 201.2610 2.111447  404.9536       8.491059  414.5923       12.33011  396.2597       11.71020  4.546341       4.222893  
1 1 1 -3  5  27 o 395.6951 4.115217  1571.003       32.56362  1584.328       46.47832  1558.156       45.63702  3.281738       8.230434  
1 1 1 -3  5  28 o 255.5565 2.673976  653.8622       13.66271  642.9614       19.03268  665.4520       19.62490  -4.387543      5.347951  
1 1 1 -3  5  29 o 285.1317 3.208100  815.9043       18.15042  806.1676       27.35767  823.5598       24.25810  -3.127014      6.416200  
1 1 1 -3  5  30 o 212.8470 2.736834  453.4904       10.96667  452.8000       13.40632  454.8868       19.06625  -0.3622742     5.473668  
1 1 1 -3  5  31 o 150.8646 1.977316  225.6546       5.553116  221.9826       6.694316  233.7562       9.943507  -3.844391      3.954631  
1 1 1 -3  5  32 o 211.5646 3.143110  446.7190       13.24611  426.7112       17.80473  471.5201       19.82305  -10.52704      6.286220  
1 1 1 -3  5  33 o 118.2978 1.817344  139.7969       4.293306  145.1672       6.283952  135.0956       5.879511  4.248848       3.634688  
1 1 1 -3  5  34 o 202.0488 2.604199  409.0910       9.919798  409.4124       17.18703  408.9305       12.14730  -0.3504944E-01 5.208398  
1 1 1 -3  5  35 o 157.0800 1.671803  246.0532       5.235435  235.6680       7.073230  258.6370       7.786038  -7.294266      3.343606  
1 1 1 -3  5  36 o 104.9640 1.158965  109.9860       2.428736  106.1570       3.318123  114.4049       3.564613  -3.924271      2.317930  
1 1 1 -3  5  37 o 79.49802 0.9255304 62.69876       1.462986  58.59505       1.945441  68.04005       2.219488  -5.935440      1.851061  
1 1 1 -3  5  38 o 61.98222 0.7829124 38.40556       0.9701436 37.44607       1.348880  39.43373       1.396331  -1.602547      1.565825  
1 1 1 -3  5  39 o 7.535726 1.490467  0.5733264      0.2508486 0.2607560      0.3614790 0.8636705      0.3483900 -3.145572      2.980935  
1 1 1 -3  5  40 o 140.4767 1.849420  198.8321       4.928812  195.2304       8.389319  200.7305       6.090842  -2.097092      3.698839  
1 1 1 -3  5  41 o 105.9290 1.664852  112.2809       3.520273  116.5398       5.175249  108.6134       4.802463  3.717957       3.329703  
1 1 1 -3  5  42 o 110.1613 1.729890  121.6921       3.807788  124.5316       5.528530  119.1294       5.252146  2.430557       3.459780  
1 1 1 -3  5  43 o 127.9277 1.391305  163.7804       3.554350  169.4722       5.201515  158.7946       4.868240  4.150826       2.782609  
1 1 1 -3  5  44 f 14.71906 0.9900141 2.160107       0.2888453 2.591648       0.4236361 1.785205       0.3948583 2.737932       1.980028  
1 1 1 -3  5  45 o 85.19456 1.414731  71.59956       2.379353  80.27465       3.745777  65.73155       3.080707  8.480362       2.829461  
1 1 1 -3  5  46 o 94.25541 1.072962  89.03703       2.022527  89.47675       2.878848  88.60849       2.842077  0.4578400      2.145923  
1 1 1 -3  5  47 o 62.64267 0.8098157 39.27795       1.014365  38.48307       1.417064  40.11325       1.452657  -1.299076      1.619631  
1 1 1 -3  5  48 o 81.01729 0.9592887 65.45613       1.548580  69.41714       2.314060  62.24355       2.084006  4.408676       1.918577  
1 1 1 -3  5  49 o 56.40303 0.7778277 31.70312       0.8744965 33.80208       1.303486  29.98514       1.179272  3.374413       1.555655  
1 1 1 -3  5  50 o 24.28925 0.8044857 5.925667       0.3883549 5.114762       0.5446017 6.764653       0.5539512 -3.395554      1.608971  
1 1 1 -3  5  51 o 10.62668 1.502790  1.171864       0.3079411 1.299268       0.4522717 1.061755       0.4204557 1.105244       3.005580  
1 1 1 -3  5  52 o 33.25408 0.7367818 11.07012       0.4890479 10.13277       0.6808400 12.06928       0.7029249 -2.909628      1.473564  
1 1 1 -3  5  53 o 33.23281 0.7367293 10.97890       0.4876896 12.16686       0.7296643 10.01971       0.6556517 3.223059       1.473459  
1 1 1 -3  5  54 o 43.65318 0.7599251 18.95072       0.6606702 20.83153       0.9910007 17.44604       0.8863855 3.866154       1.519850  
1 1 1 -3  5  55 o 32.22705 0.7846161 10.37274       0.5026880 8.876728       0.6892093 12.07320       0.7347947 -4.953789      1.569232  
1 1 1 -3  5  56 o 26.11906 0.8696290 6.843504       0.4529288 6.900548       0.6679979 6.794960       0.6162082 0.1942348      1.739258  
1 1 1 -3  5  57 o 60.43243 0.9156141 36.84334       1.099361  34.97729       1.626442  38.41309       1.491739  -2.864635      1.831228  
1 1 1 -3  5  58 o 42.28852 1.069879  17.96474       0.9039609 19.08381       1.308315  16.94250       1.250436  2.519581       2.139757  
1 1 1 -3  5  59 o 14.09319 1.944591  2.097244       0.5285134 2.125298       0.7446043 2.068760       0.7502896 0.2074833      3.889181  
1 1 1 -3  5  60 o 28.58465 1.201941  8.240218       0.6864059 7.724319       0.9590588 8.782005       0.9828265 -1.843769      2.403883  
1 1 1 -3  5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  6  1  o 449.9589 5.895301  1957.127       47.47648  2200.058       92.67445  1870.685       55.28166  35.80457       11.79060  
1 1 1 -3  6  2  o 380.5515 4.317122  1450.001       32.49784  1457.641       49.83988  1444.350       42.86294  1.636475       8.634243  
1 1 1 -3  6  3  o 168.3059 1.768122  282.6752       5.939452  293.5451       8.741796  273.3548       8.094777  5.993927       3.536243  
1 1 1 -3  6  4  o 218.6988 2.283337  478.2864       9.982186  486.2350       14.39155  470.9169       13.85748  3.497726       4.566675  
1 1 1 -3  6  5  o 405.3853 4.242314  1640.590       34.32009  1731.395       50.62700  1563.377       46.68427  20.66449       8.484629  
1 1 1 -3  6  6  o 153.5137 1.620997  232.6238       4.921729  216.3236       6.414468  255.9570       7.674544  -12.90184      3.241993  
1 1 1 -3  6  7  o 138.1088 1.464119  190.7386       4.043421  188.8837       5.654498  192.6795       5.784231  -1.373581      2.928239  
1 1 1 -3  6  8  o 330.1161 3.431268  1083.671       22.52879  1027.551       30.02859  1155.933       34.07461  -19.40561      6.862536  
1 1 1 -3  6  9  f 403.0254 4.197966  1621.544       33.74758  1565.271       45.78265  1688.502       49.94054  -15.24500      8.395932  
1 1 1 -3  6  10 o 434.7858 4.531226  1880.716       39.17766  1787.438       52.19435  2001.092       59.29322  -24.50070      9.062451  
1 1 1 -3  6  11 f 121.6237 1.302081  147.6656       3.162923  152.8974       4.622048  143.0580       4.337589  4.044327       2.604161  
1 1 1 -3  6  12 o 190.1524 1.996166  361.2506       7.583344  353.4990       10.44197  369.9019       11.03121  -4.310944      3.992331  
1 1 1 -3  6  13 o 348.4221 3.616885  1209.787       25.11267  1159.648       33.83930  1271.250       37.46639  -15.99118      7.233770  
1 1 1 -3  6  14 o 412.5775 4.943977  1703.691       40.77935  1678.865       56.72731  1730.240       58.66279  -6.207764      9.887954  
1 1 1 -3  6  15 f 373.9008 3.880098  1399.159       29.01490  1394.881       40.88523  1403.499       41.18291  -1.150146      7.760197  
1 1 1 -3  6  16 o 248.6734 2.592328  618.6146       12.89275  619.8133       18.27731  617.4273       18.18922  0.4792786      5.184655  
1 1 1 -3  6  17 o 364.2673 3.783729  1327.704       27.55934  1342.741       39.48471  1313.419       38.48414  4.016937       7.567458  
1 1 1 -3  6  18 o 123.6858 1.325780  151.8207       3.258984  143.1760       4.327348  163.1489       4.953685  -8.072144      2.651561  
1 1 1 -3  6  19 o 115.4383 1.247015  132.1832       2.859913  142.4256       4.356883  124.4288       3.790967  7.793114       2.494030  
1 1 1 -3  6  20 o 638.2554 6.660628  4053.269       84.38464  3819.614       111.4824  4366.747       129.1285  -42.51959      13.32126  
1 1 1 -3  6  21 f 408.4630 4.240600  1670.796       34.63419  1689.874       49.63150  1652.688       48.35377  4.534058       8.481199  
1 1 1 -3  6  22 o 54.60521 0.6921602 29.71462       0.7543402 28.24953       1.027067  31.43058       1.111528  -2.912544      1.384320  
1 1 1 -3  6  23 o 290.6373 3.028366  844.2748       17.57801  820.9274       24.10136  870.8076       25.69302  -8.559540      6.056731  
1 1 1 -3  6  24 o 106.7922 1.167519  112.9432       2.473857  105.7260       3.261032  122.7273       3.796922  -7.956772      2.335037  
1 1 1 -3  6  25 o 157.4550 1.667058  247.9561       5.248395  244.7640       7.323678  251.3262       7.525122  -2.081863      3.334115  
1 1 1 -3  6  26 o 171.5609 1.809509  294.5073       6.208622  295.8056       8.822433  293.2336       8.738798  0.7485352      3.619018  
1 1 1 -3  6  27 o 50.95750 0.6786618 25.74709       0.6882052 28.22205       1.038686  23.81033       0.9188348 4.328182       1.357324  
1 1 1 -3  6  28 o 192.9877 2.027945  372.7775       7.827226  374.0432       11.10964  371.5301       11.02954  0.6498260      4.055890  
1 1 1 -3  6  29 o 188.1943 1.981613  353.1802       7.435184  339.0579       10.05011  370.2551       11.05087  -8.272751      3.963227  
1 1 1 -3  6  30 f 141.2910 1.509558  199.4776       4.261144  194.3159       5.864681  205.2496       6.201775  -3.864716      3.019116  
1 1 1 -3  6  31 o 213.9845 2.244233  455.4471       9.549859  431.7109       12.71933  486.1171       14.45824  -12.67580      4.488466  
1 1 1 -3  6  32 o 152.5211 1.622197  232.8012       4.948282  231.8104       6.970614  233.8078       7.025566  -0.6538696     3.244394  
1 1 1 -3  6  33 o 220.0232 2.308157  483.6189       10.13360  466.8241       13.78313  503.3779       14.95005  -8.276306      4.616315  
1 1 1 -3  6  34 o 158.7498 2.084930  248.2268       6.090439  241.9958       7.258174  263.0545       11.19659  -6.528900      4.169861  
1 1 1 -3  6  35 o 58.19586 1.050506  33.65686       1.217470  31.54416       1.632090  36.30737       1.828050  -4.089222      2.101013  
1 1 1 -3  6  36 o 122.7019 1.880107  150.7395       4.611907  148.3236       6.411470  153.3298       6.638918  -2.032608      3.760214  
1 1 1 -3  6  37 o 38.97682 1.293584  0.000000       0.000000  ?              ?         15.19967       1.008396  ?              ?         
1 1 1 -3  6  38 o 78.54892 1.837867  0.000000       0.000000  ?              ?         61.77314       2.887249  ?              ?         
1 1 1 -3  6  39 o 101.4063 1.602593  102.4294       3.235573  96.79454       4.333374  109.5289       4.864048  -6.252602      3.205187  
1 1 1 -3  6  40 o 53.67841 0.8860117 29.33931       0.9143293 30.82937       1.161187  26.90803       1.483263  3.662212       1.772023  
1 1 1 -3  6  41 o 109.9223 1.212358  120.9062       2.663077  117.9890       3.676498  124.1265       3.862719  -2.782341      2.424716  
1 1 1 -3  6  42 o 39.70241 0.6811671 15.72460       0.5400540 14.83717       0.7399825 16.73598       0.7899691 -2.389736      1.362334  
1 1 1 -3  6  43 o 42.53807 0.9412710 17.82965       0.7939829 15.90270       1.043639  20.47750       1.223382  -5.368729      1.882542  
1 1 1 -3  6  44 o 95.16151 1.082034  89.85348       2.044544  97.76410       3.126379  83.94230       2.702549  7.237190       2.164068  
1 1 1 -3  6  45 f 77.30634 1.316746  59.94710       2.035757  59.57950       2.887352  60.31047       2.870711  -0.4741364     2.633492  
1 1 1 -3  6  46 o 44.75951 0.7096716 20.04922       0.6351922 20.32784       0.9081461 19.78236       0.8887625 0.6083832      1.419343  
1 1 1 -3  6  47 o 70.82034 0.8724629 50.08238       1.232940  52.47217       1.819734  48.05434       1.676358  3.109344       1.744926  
1 1 1 -3  6  48 o 56.71733 0.7735927 32.21422       0.8774973 31.88648       1.236569  32.54667       1.245416  -0.5814056     1.547185  
1 1 1 -3  6  49 o 42.22121 0.7143138 17.82438       0.6026422 16.84906       0.8350895 18.88428       0.8705454 -2.407642      1.428628  
1 1 1 -3  6  50 f 39.70779 0.7128689 15.77782       0.5658026 15.05544       0.7884540 16.54477       0.8124152 -1.873543      1.425738  
1 1 1 -3  6  51 o 12.67925 1.289830  1.662096       0.3136260 1.349409       0.4507451 1.955544       0.4366586 -2.552483      2.579661  
1 1 1 -3  6  52 o 7.802939 1.539452  0.4410655      0.3078717 1.230232       0.4678589 -0.1616490     0.4088711 6.083873       3.078903  
1 1 1 -3  6  53 o 11.63903 1.523526  1.406415       0.3413041 1.485489       0.4974933 1.336107       0.4691101 0.6262131      3.047053  
1 1 1 -3  6  54 o 55.86432 0.8081309 31.22337       0.9018815 29.43299       1.243696  33.20905       1.309774  -3.371849      1.616262  
1 1 1 -3  6  55 o 15.37476 1.191615  2.435451       0.3576538 1.944796       0.5262566 2.856594       0.4875554 -2.972568      2.383229  
1 1 1 -3  6  56 o 38.16579 0.7781157 14.61314       0.5936100 13.99809       0.8370534 15.23540       0.8419506 -1.620296      1.556231  
1 1 1 -3  6  57 o 13.12570 1.642096  1.738887       0.4043300 1.910125       0.6848838 1.647277       0.5009430 0.7088041      3.284192  
1 1 1 -3  6  58 o 12.24295 1.927583  1.610643       0.4622814 1.254067       0.6695274 1.935510       0.6390653 -2.711639      3.855166  
1 1 1 -3  6  59 o 19.50785 1.450434  3.882607       0.5572843 3.083712       0.7807469 4.712405       0.7957041 -4.169685      2.900869  
1 1 1 -3  6  60 o 58.07032 1.189698  33.96895       1.380343  32.76552       1.900798  35.31167       2.007791  -2.163536      2.379396  
1 1 1 -3  6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  7  1  o 126.9372 1.350939  161.0287       3.427505  157.8003       4.746458  164.5465       4.954692  -2.656418      2.701878  
1 1 1 -3  7  2  o 273.7589 2.848582  748.8438       15.57649  729.2558       21.39067  770.9555       22.72699  -7.604614      5.697164  
1 1 1 -3  7  3  o 279.3374 2.905204  779.5205       16.20675  804.1196       23.70061  757.9157       22.21141  8.257446       5.810408  
1 1 1 -3  7  4  o 157.2036 1.656561  246.3146       5.192925  236.5989       7.027458  258.0013       7.707355  -6.804001      3.313122  
1 1 1 -3  7  5  o 309.3027 3.215800  957.3464       19.89132  963.4952       28.35558  951.3888       27.91085  1.953217       6.431600  
1 1 1 -3  7  6  o 190.8894 1.999293  364.2922       7.629306  370.6180       10.99238  358.4128       10.59739  3.194962       3.998587  
1 1 1 -3  7  7  o 633.0293 6.585865  3961.685       82.37249  3678.540       107.0163  4373.320       129.0330  -54.54938      13.17173  
1 1 1 -3  7  8  o 404.9411 4.209092  1640.171       34.06694  1607.338       47.17565  1675.951       49.24695  -8.454102      8.418184  
1 1 1 -3  7  9  o 229.0563 2.395478  523.5709       10.95059  543.2157       16.12628  506.7613       14.91724  7.952026       4.790956  
1 1 1 -3  7  10 o 204.2018 2.137785  416.5123       8.720181  406.2320       11.98522  428.0757       12.71117  -5.345703      4.275570  
1 1 1 -3  7  11 o 177.4100 1.866343  313.7376       6.602688  301.8306       8.937760  328.0424       9.796421  -7.384384      3.732686  
1 1 1 -3  7  12 o 358.9966 3.725972  1288.398       26.72759  1260.372       36.86702  1319.448       38.80439  -8.214233      7.451944  
1 1 1 -3  7  13 f 409.5870 6.029533  1661.325       48.91728  1548.780       64.07265  1818.594       75.74115  -32.80045      12.05907  
1 1 1 -3  7  14 o 443.3918 5.324899  1935.311       46.48995  1790.309       59.82398  2156.386       73.86839  -41.13361      10.64980  
1 1 1 -3  7  15 o 67.98848 0.8621110 46.37941       1.168380  49.17895       1.622634  43.36505       1.683738  4.275749       1.724222  
1 1 1 -3  7  16 o 392.5859 4.072647  1539.656       31.92106  1493.207       43.62499  1593.184       46.83181  -12.70511      8.145293  
1 1 1 -3  7  17 o 152.5587 1.613447  232.3867       4.915909  225.8176       6.740146  239.8526       7.185496  -4.598175      3.226893  
1 1 1 -3  7  18 o 465.0546 4.827451  2166.491       44.90041  2161.803       63.39805  2171.209       63.59998  -1.008636      9.654902  
1 1 1 -3  7  19 o 284.9510 2.964715  811.5662       16.87815  792.2419       23.24017  833.1345       24.55249  -7.164032      5.929430  
1 1 1 -3  7  20 o 62.91275 0.7531109 39.54781       0.9471167 38.53541       1.313844  40.64307       1.366562  -1.674934      1.506222  
1 1 1 -3  7  21 o 123.3951 1.328959  152.1293       3.277094  148.4591       4.525848  156.1746       4.751395  -3.125191      2.657918  
1 1 1 -3  7  22 o 198.2088 2.078087  393.0505       8.237424  390.5906       11.57433  395.5753       11.72610  -1.256042      4.156175  
1 1 1 -3  7  23 o 45.18220 0.6370115 20.11151       0.5708436 22.86698       0.8791499 18.10296       0.7505953 5.271595       1.274023  
1 1 1 -3  7  24 o 65.13037 0.7827587 42.40897       1.019341  43.01991       1.462561  41.83189       1.421451  0.9118423      1.565517  
1 1 1 -3  7  25 o 209.6953 2.200095  439.8174       9.221925  448.7684       13.30988  431.5529       12.78924  4.097321       4.400190  
1 1 1 -3  7  26 o 212.3663 2.224462  451.0196       9.439847  441.0780       13.02963  462.0027       13.69514  -4.915192      4.448925  
1 1 1 -3  7  27 o 327.1428 3.406105  1071.853       22.26415  1047.550       30.69151  1098.848       32.34614  -7.795013      6.812210  
1 1 1 -3  7  28 o 212.9565 2.232964  454.0020       9.510460  454.6547       13.46795  453.3530       13.43176  0.3049927      4.465929  
1 1 1 -3  7  29 f 41.55811 0.6311141 16.84073       0.5174055 20.06446       0.8178545 14.68952       0.6680959 6.465961       1.262228  
1 1 1 -3  7  30 o 126.8967 1.369867  161.1044       3.476595  161.5171       4.930207  160.6962       4.903200  0.3231049      2.739733  
1 1 1 -3  7  31 o 62.86303 0.7739519 39.50784       0.9727449 40.14264       1.397275  38.91084       1.355035  0.9794121      1.547904  
1 1 1 -3  7  32 o 174.5931 1.844714  304.6675       6.432733  313.9533       9.394635  296.4710       8.826443  4.995087       3.689429  
1 1 1 -3  7  33 o 139.2920 1.490989  194.1682       4.153642  193.7254       5.864828  194.6139       5.883491  -0.3186035     2.981978  
1 1 1 -3  7  34 o 139.4307 1.494794  192.5569       4.132940  180.0681       5.435941  209.6662       6.362545  -10.59402      2.989588  
1 1 1 -3  7  35 o 212.1219 3.162034  451.6992       13.40678  443.1925       18.58035  460.9386       19.36403  -4.142776      6.324068  
1 1 1 -3  7  36 o 106.0741 1.659854  112.6829       3.521160  113.1459       5.009862  112.2309       4.950022  0.4293518      3.319707  
1 1 1 -3  7  37 o 200.0430 3.648012  408.2268       14.04200  421.4666       17.76613  386.1888       22.92133  9.246674       7.296024  
1 1 1 -3  7  38 o 69.31430 1.180184  47.90283       1.631864  50.76792       2.416089  45.49941       2.212885  3.793755       2.360368  
1 1 1 -3  7  39 o 49.86082 0.9749236 24.37403       0.9609925 21.61420       1.248752  28.38225       1.504910  -6.778675      1.949847  
1 1 1 -3  7  40 o 70.93551 1.201412  50.31458       1.702510  48.82355       2.340817  51.98914       2.480692  -2.225143      2.402825  
1 1 1 -3  7  41 o 66.48743 0.9964507 44.58532       1.264907  43.15576       2.116516  45.37961       1.577649  -1.695885      1.992901  
1 1 1 -3  7  42 o 85.51569 0.9877557 73.22575       1.689341  73.19170       2.396110  73.25938       2.382129  -0.4022980E-01 1.975511  
1 1 1 -3  7  43 o 49.52072 0.7163637 24.48651       0.7084925 25.56309       1.036244  23.54148       0.9708679 2.038685       1.432727  
1 1 1 -3  7  44 o 73.51576 0.8907619 53.88771       1.306177  51.16116       1.769648  57.15084       1.935961  -4.065331      1.781524  
1 1 1 -3  7  45 o 127.6152 1.393080  163.4256       3.554918  165.1623       5.085626  161.7662       4.971156  1.319832       2.786160  
1 1 1 -3  7  46 o 26.91687 0.7309672 7.263828       0.3922987 6.576869       0.5525745 7.961938       0.5570408 -2.572636      1.461934  
1 1 1 -3  7  47 o 17.92637 0.9033968 3.184691       0.3214284 3.797229       0.4807704 2.689595       0.4322309 3.085814       1.806794  
1 1 1 -3  7  48 o 34.19511 0.6997663 11.66424       0.4774399 12.33136       0.7054949 11.10055       0.6485037 1.796043       1.399533  
1 1 1 -3  7  49 o 23.59382 0.8064194 5.553871       0.3796891 5.951461       0.5599045 5.215370       0.5166259 1.556290       1.612839  
1 1 1 -3  7  50 o 31.88388 0.7258201 10.11724       0.4613464 11.12105       0.6853884 9.285646       0.6238321 2.873297       1.451640  
1 1 1 -3  7  51 o 22.83885 0.8480312 5.247169       0.3859802 4.828064       0.5526772 5.646209       0.5392861 -1.792521      1.696062  
1 1 1 -3  7  52 o 22.72606 0.8576725 5.173058       0.3887712 5.259663       0.5733595 5.099352       0.5289345 0.3475780      1.715345  
1 1 1 -3  7  53 o 25.78323 0.8164333 6.666161       0.4200502 6.655240       0.6148255 6.675720       0.5752305 -0.4428482E-01 1.632867  
1 1 1 -3  7  54 o 9.090888 1.747953  0.8733785      0.3326038 0.6375341      0.4912507 1.072996       0.4519488 -2.028658      3.495906  
1 1 1 -3  7  55 o 29.58313 0.8026679 8.702398       0.4727728 9.656819       0.7101600 7.942723       0.6335779 2.886591       1.605336  
1 1 1 -3  7  56 o 34.49161 0.8011690 11.96982       0.5508553 10.97586       0.7850881 12.93367       0.7731043 -2.839787      1.602338  
1 1 1 -3  7  57 o 26.00471 1.083817  6.645702       0.5549580 7.716976       0.8847610 5.950857       0.7125577 3.360334       2.167634  
1 1 1 -3  7  58 o 35.32995 1.089474  12.55517       0.7694260 12.92999       1.110070  12.20857       1.067446  1.011600       2.178948  
1 1 1 -3  7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  7  60 o 10.87870 3.139029  1.250735       0.7208468 1.250735       0.7208468 ?              ?         ?              ?         
1 1 1 -3  7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  7  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  8  1  o 483.3102 5.429077  2336.580       52.38184  2144.083       72.70317  2544.371       75.53623  -41.37897      10.85815  
1 1 1 -3  8  2  o 54.97344 0.7322983 30.10583       0.7961995 30.98148       1.228401  29.47145       1.045560  1.373135       1.464597  
1 1 1 -3  8  3  o 158.4839 1.674410  250.0079       5.285901  264.0674       7.912774  238.6776       7.103347  8.007462       3.348819  
1 1 1 -3  8  4  o 442.8887 4.603544  1963.835       40.77702  1957.384       57.58871  1970.321       57.74644  -1.459106      9.207088  
1 1 1 -3  8  5  o 559.2911 5.826502  3133.012       65.16138  3093.493       91.06209  3174.481       93.28221  -7.215332      11.65300  
1 1 1 -3  8  6  o 452.4237 4.697500  2048.450       42.49096  2078.885       61.04504  2019.846       59.18090  6.508331       9.395000  
1 1 1 -3  8  7  o 392.9856 4.077394  1545.565       32.04443  1555.989       45.67177  1535.458       44.97169  2.606934       8.154788  
1 1 1 -3  8  8  o 412.6369 4.286015  1693.098       35.17615  1604.589       46.88902  1807.035       53.19958  -24.48148      8.572030  
1 1 1 -3  8  9  o 379.0601 3.935050  1435.701       29.79206  1395.963       40.87747  1480.723       43.51034  -11.16110      7.870100  
1 1 1 -3  8  10 o 124.7432 1.332938  155.3589       3.320887  160.4199       4.852461  150.9001       4.554567  3.815018       2.665876  
1 1 1 -3  8  11 o 356.5238 4.276268  1272.000       30.48414  1256.809       42.54396  1288.028       43.70150  -4.368683      8.552535  
1 1 1 -3  8  12 o 452.2826 5.421115  2040.111       48.85738  1952.438       65.80708  2147.792       72.93021  -21.52026      10.84223  
1 1 1 -3  8  13 o 326.4407 3.924618  1064.544       25.58430  1032.031       35.04002  1101.667       37.44270  -10.64706      7.849236  
1 1 1 -3  8  14 o 631.5057 6.594399  3994.352       83.20661  4081.137       120.8565  3916.147       114.7265  12.97894       13.18880  
1 1 1 -3  8  15 o 597.1149 6.227731  3570.310       74.31289  3481.948       102.6161  3667.753       107.7611  -15.48651      12.45546  
1 1 1 -3  8  16 o 161.5585 1.710212  260.6522       5.517899  253.9137       7.564460  268.3151       8.066706  -4.454910      3.420424  
1 1 1 -3  8  17 o 213.6142 2.237600  455.6510       9.543318  443.1112       13.05155  470.0587       13.98983  -6.301819      4.475201  
1 1 1 -3  8  18 o 166.8817 1.761111  278.5582       5.877791  279.9068       8.349282  277.2331       8.276104  0.8007050      3.522222  
1 1 1 -3  8  19 o 315.6550 3.283358  996.2645       20.70837  1022.300       30.08494  972.8215       28.54760  7.820465       6.566716  
1 1 1 -3  8  20 f 48.77947 0.6464973 23.38605       0.6241470 26.67517       0.9722319 21.08019       0.8140409 5.734577       1.292995  
1 1 1 -3  8  21 o 249.8029 2.607637  624.0256       13.01881  637.8665       18.83843  611.3723       18.01210  5.293411       5.215275  
1 1 1 -3  8  22 o 242.1575 2.528518  586.9357       12.24596  587.2717       17.33930  586.6014       17.29759  0.1378937      5.057036  
1 1 1 -3  8  23 o 168.2867 1.777435  283.3267       5.981959  281.7081       8.401526  284.9910       8.519237  -0.9742126     3.554869  
1 1 1 -3  8  24 o 143.3460 1.527319  202.7236       4.327521  223.6754       6.767249  188.2279       5.628873  12.35297       3.054639  
1 1 1 -3  8  25 o 279.0395 2.908859  779.9910       16.23282  775.3668       22.81238  784.7342       23.10374  -1.672058      5.817719  
1 1 1 -3  8  26 o 244.2608 2.552600  594.3776       12.41394  566.5153       16.63929  629.3546       18.64302  -12.82187      5.105200  
1 1 1 -3  8  27 o 174.6113 1.844058  303.6799       6.414947  289.7995       8.628422  320.8340       9.592117  -8.872894      3.688117  
1 1 1 -3  8  28 o 209.6798 2.198641  439.7470       9.212711  449.9250       13.35450  430.5049       12.72571  4.619293       4.397281  
1 1 1 -3  8  29 o 106.1095 1.164565  111.7476       2.455472  120.1414       3.735965  105.3642       3.258018  6.958115       2.329130  
1 1 1 -3  8  30 o 42.92133 0.6436427 18.39835       0.5519742 18.99211       0.8026197 17.86554       0.7603159 1.312092       1.287285  
1 1 1 -3  8  31 o 60.42619 0.7602133 36.43383       0.9175083 34.88290       1.258413  38.19394       1.340588  -2.739059      1.520427  
1 1 1 -3  8  32 f 37.52632 0.8047509 14.25104       0.5641987 13.61531       0.9832512 14.56311       0.6888965 -1.265537      1.609502  
1 1 1 -3  8  33 o 85.09534 1.380103  72.44293       2.348387  71.34536       3.283348  73.59249       3.360227  -1.318932      2.760205  
1 1 1 -3  8  34 o 178.4475 2.673071  318.7917       9.523821  308.8413       13.02082  330.2396       13.96625  -5.955826      5.346141  
1 1 1 -3  8  35 o 134.2824 1.776893  179.3441       4.452641  177.1457       5.384504  184.0988       7.918678  -2.509872      3.553787  
1 1 1 -3  8  36 o 61.42358 0.7774049 37.68640       0.9538850 38.84664       1.390418  36.65480       1.311070  1.782845       1.554810  
1 1 1 -3  8  37 o 122.2065 1.328172  149.4976       3.245635  147.6697       4.537835  151.4121       4.644050  -1.527557      2.656344  
1 1 1 -3  8  38 o 21.90030 0.7239821 4.787182       0.3167323 5.086569       0.4606560 4.518743       0.4361982 1.295837       1.447964  
1 1 1 -3  8  39 o 87.31601 0.9998294 76.25282       1.745007  74.58718       2.418219  78.06246       2.520587  -1.986542      1.999659  
1 1 1 -3  8  40 o 62.91277 0.7958710 39.54885       1.000245  40.82230       1.457697  38.41572       1.375041  1.909874       1.591742  
1 1 1 -3  8  41 o 95.84190 1.320769  92.08259       2.393339  92.12055       2.939924  92.00797       4.121116  0.1292114      2.641539  
1 1 1 -3  8  42 o 25.82782 0.9534929 6.638373       0.4909209 5.998302       0.6665587 7.397161       0.7257453 -2.705198      1.906986  
1 1 1 -3  8  43 o 15.77898 1.222683  2.498068       0.3827617 2.099434       0.5320665 2.925649       0.5510458 -2.616830      2.445366  
1 1 1 -3  8  44 f 77.49150 1.298637  60.12927       2.010585  62.26591       2.925816  58.21750       2.767571  2.599586       2.597274  
1 1 1 -3  8  45 f 66.61447 1.018334  43.92895       1.266488  45.95775       2.260306  43.00050       1.529062  2.168007       2.036667  
1 1 1 -3  8  46 f 55.31143 0.7599155 30.58327       0.8395971 31.55652       1.224693  29.72024       1.153263  1.655827       1.519831  
1 1 1 -3  8  47 o 52.55559 0.7479486 27.46420       0.7826648 29.68845       1.176814  25.70007       1.048053  3.786205       1.495897  
1 1 1 -3  8  48 o 28.94841 0.7254649 8.359509       0.4187693 8.802553       0.6219264 7.992023       0.5664166 1.395990       1.450930  
1 1 1 -3  8  49 o 23.00630 0.8021167 5.270182       0.3679187 5.771876       0.5464466 4.854158       0.4976073 1.990349       1.604233  
1 1 1 -3  8  50 o 12.67450 1.409949  1.780386       0.3207696 0.8988175      0.4630854 2.593505       0.4447437 -6.809124      2.819898  
1 1 1 -3  8  51 o 68.40416 0.8775336 46.92276       1.200482  46.33080       1.695629  47.51768       1.699855  -0.8670731     1.755067  
1 1 1 -3  8  52 o 60.05491 0.8233301 36.14498       0.9886694 35.12940       1.383229  37.20571       1.413646  -1.725266      1.646660  
1 1 1 -3  8  53 o 20.13601 0.9373229 4.052044       0.3762387 4.274097       0.5601450 3.869514       0.5078537 0.9974804      1.874646  
1 1 1 -3  8  54 o 34.18678 0.7657702 11.71345       0.5230223 11.80543       0.7587630 11.63017       0.7219405 0.2519188      1.531540  
1 1 1 -3  8  55 o 35.45065 0.7768534 12.61952       0.5501630 12.14482       0.7866715 13.07396       0.7697019 -1.312786      1.553707  
1 1 1 -3  8  56 o 27.05462 0.9737129 7.107718       0.5016208 8.152448       0.8764332 6.598769       0.6117223 2.825325       1.947426  
1 1 1 -3  8  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  8  58 o 16.83681 3.106832  3.003297       1.006890  3.003297       1.006890  ?              ?         ?              ?         
1 1 1 -3  8  59 o 34.11337 1.107454  11.72360       0.7554845 11.96103       1.077779  11.49425       1.059294  0.6796303      2.214908  
1 1 1 -3  8  60 o 42.23520 1.107002  17.96075       0.9342994 18.99039       1.348938  17.01137       1.295292  2.328537       2.214004  
1 1 1 -3  8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  9  1  o 310.1039 3.224375  958.6275       19.93552  1005.017       29.62596  920.2400       26.94984  13.65338       6.448751  
1 1 1 -3  9  2  o 554.3628 5.751279  3067.582       63.57751  2946.056       86.04043  3213.742       94.35854  -24.05609      11.50256  
1 1 1 -3  9  3  o 316.8877 3.295510  1003.786       20.86852  982.8397       28.81542  1026.889       30.26283  -6.941528      6.591021  
1 1 1 -3  9  4  o 469.3331 4.896286  2175.770       45.46199  2017.094       59.28273  2402.310       70.83453  -40.93439      9.792573  
1 1 1 -3  9  5  f 520.7054 5.418343  2699.833       56.14071  2569.970       75.02221  2865.103       84.63383  -28.24286      10.83669  
1 1 1 -3  9  6  o 461.0161 4.789632  2096.163       43.60238  1941.876       56.53963  2322.572       68.49111  -41.18079      9.579264  
1 1 1 -3  9  7  o 205.4125 2.149330  421.9066       8.827284  416.6448       12.30395  427.4874       12.67149  -2.637741      4.298660  
1 1 1 -3  9  8  o 553.9069 5.787069  3036.442       63.48763  2823.553       83.11456  3334.664       98.37163  -45.96509      11.57414  
1 1 1 -3  9  9  o 549.4508 8.114052  2981.331       87.86525  2764.353       113.3532  3307.956       139.0751  -49.05768      16.22810  
1 1 1 -3  9  10 o 254.8601 2.656855  648.7087       13.52291  668.9915       19.77035  630.8762       18.53767  7.471191       5.313711  
1 1 1 -3  9  11 o 285.0878 2.968598  811.1598       16.88953  842.1150       24.88177  784.7099       22.99987  10.05670       5.937196  
1 1 1 -3  9  12 o 164.1359 1.730599  268.0354       5.655989  283.9510       8.490166  255.3363       7.583892  8.713470       3.461198  
1 1 1 -3  9  13 o 507.3005 5.264849  2566.182       53.20176  2454.515       71.51001  2704.610       79.61880  -24.55423      10.52970  
1 1 1 -3  9  14 o 277.5947 2.895844  770.6769       16.07120  783.1010       23.11627  759.0537       22.35888  4.326080       5.791687  
1 1 1 -3  9  15 o 423.5790 4.394926  1796.709       37.23091  1788.812       52.41559  1804.751       52.89257  -1.875885      8.789852  
1 1 1 -3  9  16 o 385.0415 3.997004  1479.966       30.69821  1426.411       41.63892  1543.735       45.43695  -15.19171      7.994008  
1 1 1 -3  9  17 o 203.9573 2.135734  415.4576       8.699471  428.5728       12.71695  403.9216       11.92685  6.037888       4.271468  
1 1 1 -3  9  18 o 323.4025 3.361632  1046.024       21.72412  1071.114       31.52152  1023.326       29.98139  7.369934       6.723265  
1 1 1 -3  9  19 o 238.1029 2.485250  566.5216       11.82026  582.8254       17.23625  552.0464       16.24088  6.453339       4.970501  
1 1 1 -3  9  20 o 519.0929 5.393794  2702.841       55.96339  2757.810       80.85374  2652.288       77.53869  10.08179       10.78759  
1 1 1 -3  9  21 f 319.0417 3.321477  1018.097       21.16770  992.7341       29.08801  1046.649       30.86198  -8.419098      6.642953  
1 1 1 -3  9  22 o 280.8769 2.927053  789.7452       16.43812  779.1874       22.91986  800.9282       23.58858  -3.858887      5.854106  
1 1 1 -3  9  23 o 72.57661 0.8442954 52.06561       1.214741  57.20587       1.874183  48.34197       1.595159  6.105019       1.688591  
1 1 1 -3  9  24 o 258.4661 2.697830  669.0967       13.94595  668.5752       19.71411  669.6191       19.73100  -0.2015991     5.395661  
1 1 1 -3  9  25 o 139.7152 1.491633  191.9441       4.108360  176.8260       5.300298  214.6977       6.502467  -13.53867      2.983266  
1 1 1 -3  9  26 o 72.55993 0.8493477 52.06863       1.223220  48.14612       1.613396  57.37151       1.875924  -6.355347      1.698695  
1 1 1 -3  9  27 o 343.2205 3.573872  1181.420       24.53024  1172.397       34.41090  1190.742       34.97805  -2.655548      7.147743  
1 1 1 -3  9  28 o 112.3958 1.223161  126.3741       2.749502  126.7020       3.903352  126.0512       3.873586  0.2891998      2.446322  
1 1 1 -3  9  29 o 125.0990 1.664792  154.4800       3.847612  162.1667       7.008306  151.1635       4.603412  4.359688       3.329583  
1 1 1 -3  9  30 o 175.3612 2.626380  304.2572       9.112888  334.0537       14.18173  283.3010       11.89332  14.40709       5.252761  
1 1 1 -3  9  31 o 145.8379 2.205009  212.9158       6.428809  209.5756       8.938737  216.4948       9.252814  -2.364319      4.410019  
1 1 1 -3  9  32 o 89.08270 1.256255  75.97366       2.001481  72.08216       2.325851  87.07970       3.929185  -8.392067      2.512511  
1 1 1 -3  9  33 o 195.9226 2.064507  384.4002       8.086713  378.6978       11.25535  390.4848       11.62635  -2.996323      4.129013  
1 1 1 -3  9  34 o 89.32744 1.012011  79.65922       1.804906  82.67458       2.647647  77.04136       2.466965  3.150032       2.024023  
1 1 1 -3  9  35 o 113.9302 1.245625  129.4070       2.829090  136.0421       4.209301  123.9404       3.820738  5.300812       2.491249  
1 1 1 -3  9  36 o 88.46091 1.008283  78.29713       1.783697  77.58160       2.501351  79.03739       2.544254  -0.8217926     2.016565  
1 1 1 -3  9  37 o 128.7457 1.393285  165.7442       3.582552  171.0446       5.235456  161.0768       4.912899  3.857841       2.786571  
1 1 1 -3  9  38 o 98.79031 1.105609  97.64531       2.183445  95.74815       3.032043  99.68890       3.146872  -1.990234      2.211217  
1 1 1 -3  9  39 o 72.81848 0.8731465 52.97828       1.269887  54.73375       1.855203  51.43063       1.741927  2.264244       1.746293  
1 1 1 -3  9  40 o 55.27574 0.7405770 30.57542       0.8187045 30.33911       1.156875  30.81250       1.158773  -0.4281540     1.481154  
1 1 1 -3  9  41 o 21.18679 0.7563295 4.483037       0.3200557 4.667470       0.4676349 4.320518       0.4389773 0.8177433      1.512659  
1 1 1 -3  9  42 o 54.92588 0.7473419 30.16993       0.8206372 29.27999       1.141472  31.12198       1.180631  -1.675232      1.494684  
1 1 1 -3  9  43 o 83.69419 0.9766416 70.15535       1.634742  70.18318       2.320447  70.12792       2.303397  0.3205872E-01  1.953283  
1 1 1 -3  9  44 o 34.23030 1.317163  12.27746       0.8539212 13.81340       1.092244  9.862768       1.369509  5.794708       2.634325  
1 1 1 -3  9  45 o 77.22411 1.298624  59.82038       2.005299  59.04723       2.802081  60.63203       2.871017  -1.019768      2.597247  
1 1 1 -3  9  46 o 129.9797 2.009406  170.2180       5.215891  176.0650       7.630399  165.0897       7.146158  4.141991       4.018812  
1 1 1 -3  9  47 o 27.38724 0.9777354 7.514134       0.5353673 7.725151       0.7692193 7.315887       0.7455813 0.7450695      1.955471  
1 1 1 -3  9  48 o 70.55643 1.061580  50.48676       1.436253  47.99262       2.367902  51.93843       1.806505  -2.857254      2.123159  
1 1 1 -3  9  49 o 33.32574 0.7351733 11.13017       0.4893467 11.01565       0.7086556 11.23455       0.6765421 -0.3310432     1.470347  
1 1 1 -3  9  50 o 96.86048 1.114772  93.75083       2.152197  88.79884       2.901479  99.80830       3.209040  -5.641220      2.229543  
1 1 1 -3  9  51 o 91.49831 1.069818  83.97052       1.955418  86.27127       2.849095  81.92162       2.688634  2.353912       2.139637  
1 1 1 -3  9  52 o 77.94545 0.9557677 60.97712       1.489891  60.65363       2.113127  61.29689       2.100975  -0.4142685     1.911535  
1 1 1 -3  9  53 o 34.51851 0.7542371 11.81871       0.5178425 13.22107       0.7834893 10.73089       0.6900562 3.596642       1.508474  
1 1 1 -3  9  54 o 26.61196 0.8340893 7.093803       0.4428338 7.262216       0.6527536 6.950202       0.6027536 0.5792332      1.668179  
1 1 1 -3  9  55 o 33.34030 1.506938  11.13786       0.6872171 11.38485       1.872529  11.09941       0.7387673 0.1512489      3.013876  
1 1 1 -3  9  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  9  57 o 55.80130 1.145580  31.36572       1.278321  31.18418       1.790928  31.55429       1.825197  -0.3237762     2.291160  
1 1 1 -3  9  58 o 32.33884 1.073617  10.50803       0.6931229 11.44229       1.005926  9.663500       0.9563960 2.738361       2.147234  
1 1 1 -3  9  59 f 65.27299 1.243204  42.96943       1.621639  44.54886       2.351951  41.53818       2.238909  2.274185       2.486408  
1 1 1 -3  9  60 f 27.73922 1.212060  7.746036       0.6710051 8.464302       0.9813612 7.115413       0.9195417 2.412485       2.424120  
1 1 1 -3  9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  10 1  f 435.4322 5.822852  1906.344       50.13863  1852.246       76.28836  1947.479       66.52385  -11.04623      11.64570  
1 1 1 -3  10 2  o 382.4710 6.365596  1499.282       43.99950  1387.687       80.61403  1546.633       52.51084  -21.11740      12.73119  
1 1 1 -3  10 3  o 347.9739 4.172506  1211.363       29.02440  1232.301       41.83036  1191.923       40.30550  5.789276       8.345013  
1 1 1 -3  10 4  o 555.1655 6.674702  3033.831       72.92818  2798.384       93.70229  3395.580       116.1468  -53.49054      13.34940  
1 1 1 -3  10 5  o 440.3487 4.584294  1941.371       40.37223  1938.125       57.31915  1944.567       56.87336  -0.7355347     9.168589  
1 1 1 -3  10 6  o 112.3923 1.215873  125.7660       2.722571  132.4966       4.069312  120.3117       3.663220  5.419716       2.431746  
1 1 1 -3  10 7  o 648.3345 6.741103  4102.572       85.41315  3728.166       107.9250  4730.144       139.7276  -76.84393      13.48221  
1 1 1 -3  10 8  o 237.2132 2.474470  562.4080       11.73080  550.9380       16.21969  574.9883       16.98659  -5.065506      4.948941  
1 1 1 -3  10 9  o 154.2651 1.631683  237.0988       5.017807  248.8714       7.466004  227.4003       6.776501  6.956802       3.263365  
1 1 1 -3  10 10 o 224.1602 3.312827  502.4106       14.84175  513.2106       21.47375  492.5329       20.53641  4.605484       6.625654  
1 1 1 -3  10 11 o 153.0230 1.618696  233.8615       4.947850  240.7035       7.214850  227.7867       6.798343  4.218948       3.237391  
1 1 1 -3  10 12 o 516.6923 5.364848  2673.922       55.41814  2634.920       77.10494  2715.600       79.70593  -7.772705      10.72970  
1 1 1 -3  10 13 o 317.3315 3.298374  1006.765       20.91490  984.3874       28.85820  1031.524       30.35478  -7.413940      6.596748  
1 1 1 -3  10 14 o 347.5894 3.610460  1209.189       25.09439  1222.688       35.91046  1196.306       35.08169  3.786407       7.220920  
1 1 1 -3  10 15 o 260.3913 2.713489  678.0452       14.12348  666.3294       19.58669  690.7347       20.38442  -4.679504      5.426978  
1 1 1 -3  10 16 o 85.53298 1.037769  72.89931       1.770510  80.86533       2.584282  65.85291       2.430543  8.775253       2.075539  
1 1 1 -3  10 17 o 228.5752 2.389657  520.8208       10.88899  546.2690       16.19706  499.8339       14.70899  10.14371       4.779315  
1 1 1 -3  10 18 o 52.08904 0.6802995 27.05892       0.7075213 28.41230       1.038253  25.88556       0.9667425 2.425194       1.360599  
1 1 1 -3  10 19 o 214.7366 2.247289  460.2037       9.629318  478.8388       14.20556  444.3619       13.09764  8.015564       4.494579  
1 1 1 -3  10 20 o 186.0574 1.956240  344.7801       7.251184  329.4383       9.753546  363.7372       10.84205  -9.205811      3.912480  
1 1 1 -3  10 21 o 129.2468 1.384310  166.8219       3.573344  172.1461       5.221759  162.1328       4.900472  3.871033       2.768621  
1 1 1 -3  10 22 f 38.51984 0.6099984 14.22270       0.4600104 11.37111       0.5868422 18.76744       0.7408530 -9.600025      1.219997  
1 1 1 -3  10 23 o 160.8034 1.703978  258.6250       5.477925  254.8001       7.619559  262.7169       7.880962  -2.458145      3.407956  
1 1 1 -3  10 24 o 179.7225 1.895187  320.6594       6.766387  344.9684       10.31018  302.2681       8.967858  11.85910       3.790374  
1 1 1 -3  10 25 o 282.1732 2.943729  796.4606       16.58959  775.1005       22.75421  820.6982       24.23851  -8.045746      5.887457  
1 1 1 -3  10 26 o 110.0832 1.480984  120.0100       3.024304  124.5395       5.453199  117.9980       3.634448  2.948799       2.961968  
1 1 1 -3  10 27 o 283.7030 4.194814  808.3724       23.79845  801.0661       33.33107  815.9708       33.99080  -2.601746      8.389628  
1 1 1 -3  10 28 o 105.1358 1.634954  110.6125       3.437710  111.0032       4.886639  110.2297       4.837053  0.3670959      3.269908  
1 1 1 -3  10 29 o 76.16767 1.071869  59.11425       1.595488  64.38136       2.105918  52.01757       2.444462  8.119949       2.143738  
1 1 1 -3  10 30 o 164.2364 1.740345  269.9960       5.716504  270.5450       8.105270  269.4525       8.063604  0.3317719      3.480690  
1 1 1 -3  10 31 o 93.23390 1.046796  84.77018       1.913759  97.92570       3.097212  76.64543       2.434006  11.40346       2.093592  
1 1 1 -3  10 32 o 158.0553 1.680806  250.0522       5.312068  253.0745       7.607408  247.1764       7.420861  1.861099       3.361612  
1 1 1 -3  10 33 o 275.7254 2.884725  762.9282       15.90262  773.9404       22.84218  752.5706       22.15304  3.842163       5.769450  
1 1 1 -3  10 34 o 48.50049 0.6885089 23.46294       0.6665646 24.56313       0.9805781 22.51786       0.9088341 2.107502       1.377018  
1 1 1 -3  10 35 o 86.81960 0.9912130 75.19469       1.717494  72.06030       2.338139  78.86788       2.531129  -3.916039      1.982426  
1 1 1 -3  10 36 o 171.4485 1.819771  294.6984       6.239535  292.6579       8.764002  296.7958       8.885318  -1.200500      3.639541  
1 1 1 -3  10 37 f 141.6262 1.521506  201.0043       4.309499  201.9267       6.129609  200.1027       6.060090  0.6404572      3.043011  
1 1 1 -3  10 38 o 150.8396 1.615327  227.7256       4.865876  235.3189       7.117864  221.0637       6.667017  4.698853       3.230655  
1 1 1 -3  10 39 o 83.62700 0.9692841 69.97203       1.620533  68.47249       2.253533  71.57787       2.332042  -1.853340      1.938568  
1 1 1 -3  10 40 o 76.99321 0.9137813 58.77848       1.397380  64.05481       2.133721  54.81598       1.849087  5.987541       1.827563  
1 1 1 -3  10 41 f 78.75180 1.069550  61.96031       1.681819  59.39148       2.299317  64.91595       2.466362  -3.498215      2.139101  
1 1 1 -3  10 42 o 15.02297 0.9468398 2.230934       0.2822305 2.666206       0.4249626 1.887449       0.3775067 2.589403       1.893680  
1 1 1 -3  10 43 o 79.07188 0.9368770 62.35198       1.477541  59.12583       2.000918  66.22064       2.191130  -4.474907      1.873754  
1 1 1 -3  10 44 o 89.68199 1.119072  80.54840       1.987465  80.06376       2.628861  81.19495       3.036376  -0.5987701     2.238145  
1 1 1 -3  10 45 o 99.61972 1.127997  99.48215       2.246892  97.78001       3.136455  101.2766       3.220378  -1.747543      2.255994  
1 1 1 -3  10 46 o 90.67799 1.048691  82.36433       1.900678  80.18470       2.631729  84.74076       2.747967  -2.501640      2.097381  
1 1 1 -3  10 47 o 16.85602 0.9937319 2.953132       0.3186302 1.930720       0.4541075 3.944651       0.4471943 -5.974575      1.987464  
1 1 1 -3  10 48 o 31.34177 0.8614869 9.722939       0.5218605 9.389428       0.6531652 10.31163       0.8677881 -1.451612      1.722974  
1 1 1 -3  10 49 o 61.59271 1.134789  37.96206       1.394748  36.14423       1.896235  40.10474       2.058709  -3.193455      2.269579  
1 1 1 -3  10 50 o 77.54784 1.322691  60.50620       2.051092  59.73127       2.868801  61.31656       2.933652  -1.011040      2.645382  
1 1 1 -3  10 51 o 83.49831 1.274160  70.48363       2.102920  67.86235       3.195787  72.48544       2.792749  -2.838036      2.548320  
1 1 1 -3  10 52 o 32.40990 0.7791886 10.54639       0.5038548 9.698210       0.7121562 11.39649       0.7129609 -2.619911      1.558377  
1 1 1 -3  10 53 o 49.08151 1.032869  24.30308       0.9124551 23.97276       1.711028  24.43436       1.078629  -0.5693398     2.065739  
1 1 1 -3  10 54 o 38.96365 1.205497  15.35168       0.9281083 14.87807       1.414948  15.70932       1.229574  -1.105732      2.410993  
1 1 1 -3  10 55 o 10.00425 1.942950  1.054435       0.4011298 0.9728360      0.5829480 1.127817       0.5528170 -0.6572742     3.885900  
1 1 1 -3  10 56 o 48.29536 1.076479  23.41146       1.038253  22.31243       1.422128  24.66582       1.519308  -2.415928      2.152959  
1 1 1 -3  10 57 o 11.05723 2.029507  1.312958       0.4622312 0.9437973      0.6732619 1.642114       0.6357379 -2.799851      4.059015  
1 1 1 -3  10 58 o 27.06183 1.161248  7.385236       0.6284811 7.355939       0.8919862 7.414120       0.8856608 -0.1091156     2.322496  
1 1 1 -3  10 59 o 43.63943 1.099003  19.19703       0.9591046 19.32221       1.367581  19.07587       1.345448  0.2764549      2.198006  
1 1 1 -3  10 60 o 32.96552 1.114559  10.95817       0.7343369 11.52627       1.047910  10.41001       1.029357  1.687996       2.229119  
1 1 1 -3  11 1  o 511.8830 6.613612  2549.071       61.24814  2450.535       71.89475  2809.836       116.9567  -34.48108      13.22722  
1 1 1 -3  11 2  o 145.8061 2.193502  211.8493       6.377258  222.6187       9.471732  202.9189       8.625200  6.751617       4.387005  
1 1 1 -3  11 3  o 523.7410 7.707300  2650.777       78.11025  2380.150       96.90666  3152.695       131.9727  -73.18167      15.41460  
1 1 1 -3  11 4  f 159.1346 2.379723  253.1438       7.569448  248.3711       10.49057  258.3273       10.93275  -3.126007      4.759446  
1 1 1 -3  11 5  o 467.4750 5.825300  2222.847       53.27400  2010.094       82.14643  2377.279       69.98746  -39.42514      11.65060  
1 1 1 -3  11 6  o 150.2766 1.592654  225.1685       4.774496  216.7275       6.479768  235.1946       7.062063  -6.142273      3.185308  
1 1 1 -3  11 7  o 232.5856 2.427492  540.5451       11.28083  554.5061       16.39539  527.9940       15.54552  5.694687       4.854985  
1 1 1 -3  11 8  o 530.0208 7.061011  2833.289       74.31521  2676.162       110.0555  2964.979       100.7545  -27.40332      14.12202  
1 1 1 -3  11 9  o 394.6961 4.097239  1557.465       32.30303  1517.337       44.37956  1602.682       47.10931  -10.78333      8.194478  
1 1 1 -3  11 10 f 447.6518 4.656249  1999.627       41.56112  1916.156       56.20537  2100.332       61.73569  -20.50287      9.312498  
1 1 1 -3  11 11 o 666.0375 6.944598  4406.638       91.70025  4124.874       120.5296  4793.884       141.3005  -49.81793      13.88920  
1 1 1 -3  11 12 o 503.8079 5.232616  2541.808       52.68711  2486.775       72.87226  2602.086       76.26516  -11.39081      10.46523  
1 1 1 -3  11 13 o 228.1572 2.383838  520.8005       10.87729  523.4195       15.47217  518.2411       15.29497  1.133469       4.767676  
1 1 1 -3  11 14 o 89.95171 1.008501  80.85710       1.813299  82.75191       2.618506  79.11118       2.513500  2.023338       2.017001  
1 1 1 -3  11 15 o 324.6222 3.379726  1055.040       21.94131  1062.097       31.24051  1048.171       30.82309  2.139557       6.759451  
1 1 1 -3  11 16 o 365.4114 3.796648  1336.843       27.73306  1314.688       38.50378  1360.728       39.97873  -6.275543      7.593296  
1 1 1 -3  11 17 o 385.2449 4.004415  1486.881       30.84489  1506.170       44.25266  1468.655       43.01614  4.845276       8.008829  
1 1 1 -3  11 18 o 41.63998 0.6294179 16.45415       0.5102303 21.75015       0.8462064 13.42882       0.6395708 9.991310       1.258836  
1 1 1 -3  11 19 o 212.9446 2.230830  453.1273       9.488254  466.6519       13.85139  441.1708       13.02367  5.972397       4.461661  
1 1 1 -3  11 20 o 78.70337 0.9097981 60.74299       1.410348  55.48400       1.814197  68.77580       2.242163  -8.441704      1.819596  
1 1 1 -3  11 21 o 153.0031 1.623949  233.3988       4.954882  224.0528       6.706780  244.6299       7.352121  -6.716660      3.247898  
1 1 1 -3  11 22 o 83.90671 0.9599497 69.87277       1.600617  65.91452       2.124378  75.07057       2.434388  -5.453697      1.919899  
1 1 1 -3  11 23 o 247.1114 3.208927  596.3604       14.39163  649.3268       27.26200  575.8970       16.94516  14.59993       6.417855  
1 1 1 -3  11 24 o 308.1526 4.550650  952.7154       28.01389  978.8593       40.79773  929.3920       38.53434  7.945221       9.101300  
1 1 1 -3  11 25 o 91.46597 1.454040  83.18408       2.647554  78.64365       3.543621  88.92094       3.983229  -5.612579      2.908079  
1 1 1 -3  11 26 o 149.6415 1.971233  219.6569       5.403319  213.2767       6.411285  235.2991       10.03861  -7.294006      3.942465  
1 1 1 -3  11 27 o 87.30777 0.9870571 76.19368       1.722519  77.70809       2.488147  74.79987       2.387017  1.664520       1.974114  
1 1 1 -3  11 28 o 150.1694 1.598924  225.0314       4.790541  234.6221       7.076293  216.9169       6.508911  5.885376       3.197848  
1 1 1 -3  11 29 f 222.4466 2.333653  495.4339       10.37752  487.5281       14.41788  503.9324       14.94855  -3.673080      4.667306  
1 1 1 -3  11 30 o 231.1870 2.422850  534.9545       11.19070  549.0870       16.28082  522.2978       15.40736  5.766785       4.845701  
1 1 1 -3  11 31 o 44.26796 0.6671690 19.60019       0.5906146 19.60423       0.8417836 19.59628       0.8288764 0.8846283E-02  1.334338  
1 1 1 -3  11 32 o 135.3955 1.455221  183.1552       3.934325  189.3466       5.762121  177.7477       5.384959  4.274261       2.910441  
1 1 1 -3  11 33 o 74.48466 0.8809258 55.37079       1.310336  53.16822       1.793908  57.89008       1.918554  -3.167488      1.761852  
1 1 1 -3  11 34 o 89.52617 1.017035  78.97028       1.800620  72.48820       2.343597  88.31004       2.813153  -8.825325      2.034069  
1 1 1 -3  11 35 o 114.7137 1.258594  130.7861       2.871257  123.2112       3.823189  140.5856       4.348480  -7.554733      2.517188  
1 1 1 -3  11 36 o 77.18306 0.9064856 59.60017       1.398912  60.30293       2.006711  58.93575       1.951178  0.8840332      1.812971  
1 1 1 -3  11 37 o 51.33719 0.7098503 26.35095       0.7285911 25.53987       1.015901  27.20999       1.045503  -1.625881      1.419701  
1 1 1 -3  11 38 o 18.39688 0.8009619 3.413510       0.2923934 3.073934       0.4262133 3.715408       0.4018728 -1.744267      1.601924  
1 1 1 -3  11 39 o 41.36804 0.6662034 17.12722       0.5510384 16.89572       0.7851434 17.35194       0.7735577 -0.5517693     1.332407  
1 1 1 -3  11 40 o 33.42986 0.8973089 11.19141       0.5997791 11.00417       0.8531542 11.37437       0.8433621 -0.5541382     1.794618  
1 1 1 -3  11 41 o 29.13142 0.6825936 8.386931       0.3951930 9.557987       0.6000681 7.489978       0.5251660 3.546658       1.365187  
1 1 1 -3  11 42 o 77.51465 0.9263542 60.17071       1.435915  60.35736       2.049520  59.99075       2.012371  0.2343826      1.852708  
1 1 1 -3  11 43 f 58.48031 0.7803093 34.11034       0.9108887 31.99874       1.243085  36.55887       1.338593  -3.893627      1.560619  
1 1 1 -3  11 44 o 79.91191 0.9492272 63.88223       1.515730  61.72540       2.090068  66.27496       2.201394  -2.838776      1.898454  
1 1 1 -3  11 45 o 56.93382 0.7785500 32.43280       0.8861084 31.21682       1.233305  33.73030       1.273978  -2.204700      1.557100  
1 1 1 -3  11 46 f 75.07100 0.9148158 56.48164       1.373480  55.85939       1.936667  57.11130       1.948174  -0.8328018     1.829632  
1 1 1 -3  11 47 o 37.03571 0.7159957 13.71531       0.5291964 14.05548       0.7782596 13.42277       0.7217273 0.8499374      1.431991  
1 1 1 -3  11 48 o 45.83236 0.7351500 20.87209       0.6701975 22.64418       1.014436  19.49954       0.8927816 3.420456       1.470300  
1 1 1 -3  11 49 o 39.27216 0.7247281 15.44850       0.5683810 15.50735       0.8274775 15.39593       0.7820675 0.1377602      1.449456  
1 1 1 -3  11 50 o 51.25935 0.7729733 26.14077       0.7894980 23.68179       1.065911  29.12931       1.175094  -5.302296      1.545947  
1 1 1 -3  11 51 o 38.24027 1.007206  14.87954       0.6920088 14.23065       1.291157  15.14106       0.8196794 -1.255722      2.014412  
1 1 1 -3  11 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  11 53 o 22.61123 1.141695  5.133764       0.5131398 4.392237       0.7076343 5.956113       0.7452009 -3.450935      2.283390  
1 1 1 -3  11 54 o 21.14548 1.214258  4.521251       0.5105904 3.971448       0.7224423 5.069963       0.7217259 -2.597672      2.428517  
1 1 1 -3  11 55 o 18.32240 1.360314  3.421312       0.4924081 2.836912       0.7007906 3.991196       0.6920324 -3.152130      2.720628  
1 1 1 -3  11 56 o 25.72845 1.167673  6.659223       0.6002153 6.916123       0.8737212 6.429642       0.8259566 0.9342461      2.335345  
1 1 1 -3  11 57 o 44.52261 1.075184  19.93478       0.9565901 19.13482       1.320595  20.81788       1.387532  -1.874035      2.150368  
1 1 1 -3  11 58 o 42.73772 1.062174  18.33344       0.9060706 19.42710       1.334152  17.39720       1.234408  2.350670       2.124349  
1 1 1 -3  11 59 o 64.38797 1.230608  41.71142       1.580137  39.44830       2.137451  44.43874       2.346444  -3.810406      2.461216  
1 1 1 -3  11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  12 1  o 409.6010 4.587433  1683.225       37.32641  1654.189       55.88349  1706.613       50.15496  -6.466888      9.174867  
1 1 1 -3  12 2  f 166.0070 1.754953  275.6353       5.826514  274.4435       8.201708  276.8497       8.278703  -0.7243805     3.509906  
1 1 1 -3  12 3  o 251.1139 2.618429  630.8565       13.14974  634.7651       18.71565  627.0458       18.47969  1.535400       5.236858  
1 1 1 -3  12 4  o 284.9465 2.967065  812.3837       16.90730  818.5816       24.12062  806.3970       23.70583  2.134796       5.934129  
1 1 1 -3  12 5  o 271.3985 3.464086  737.0452       17.71919  736.6521       21.68945  737.8337       30.72470  -0.1348267     6.928173  
1 1 1 -3  12 6  o 493.1467 7.259279  2431.013       71.32748  2324.239       96.00855  2562.542       106.5590  -23.95041      14.51856  
1 1 1 -3  12 7  o 69.84248 1.157456  48.77847       1.616653  49.26454       2.304853  48.30775       2.268173  0.6848373      2.314912  
1 1 1 -3  12 8  o 201.6264 2.991292  406.7449       12.06014  402.4600       16.85864  411.2361       17.25966  -2.172745      5.982585  
1 1 1 -3  12 9  o 270.7374 3.460526  732.3754       17.60698  737.7910       30.75238  729.7344       21.47515  1.389862       6.921052  
1 1 1 -3  12 10 o 372.7804 4.174734  1395.653       30.97969  1348.658       45.63688  1435.817       42.18970  -11.73761      8.349467  
1 1 1 -3  12 11 f 522.3903 5.422162  2736.378       56.64038  2710.505       79.24953  2763.395       80.98174  -5.029297      10.84432  
1 1 1 -3  12 12 o 126.6407 1.358983  160.0076       3.434920  166.3904       5.056850  154.5397       4.680385  4.676941       2.717967  
1 1 1 -3  12 13 o 432.1589 4.489759  1871.064       38.78976  1903.047       55.82853  1841.215       53.93448  7.118927       8.979518  
1 1 1 -3  12 14 o 284.3413 2.960996  809.0637       16.83263  821.3412       24.19546  797.5482       23.43273  4.173737       5.921992  
1 1 1 -3  12 15 o 244.6434 2.553981  598.7662       12.49138  589.7476       17.37620  608.4115       17.96969  -3.807114      5.107961  
1 1 1 -3  12 16 o 303.2996 3.157822  921.1693       19.15351  913.9614       26.86595  928.6194       27.31391  -2.408966      6.315645  
1 1 1 -3  12 17 o 78.97694 0.9040081 61.74764       1.417365  57.48680       1.871616  67.47694       2.170300  -6.323158      1.808016  
1 1 1 -3  12 18 o 322.6486 3.359318  1042.908       21.67329  1054.280       31.02109  1032.063       30.29320  3.427277       6.718635  
1 1 1 -3  12 19 o 143.6545 1.530060  205.8412       4.384876  214.8380       6.483424  198.2567       5.952803  5.765411       3.060120  
1 1 1 -3  12 20 f 231.9559 2.981377  536.9695       12.95469  545.1929       22.80922  533.0536       15.73973  2.452621       5.962755  
1 1 1 -3  12 21 f 100.1817 1.561767  100.1197       3.121496  104.5024       4.612917  96.41767       4.239598  4.030319       3.123535  
1 1 1 -3  12 22 o 221.5943 3.285101  492.1992       14.55896  493.2567       20.65590  491.1551       20.52371  0.4708252      6.570201  
1 1 1 -3  12 23 f 172.8138 2.228852  300.1331       7.313270  302.6731       9.041731  295.3277       12.43678  2.186325       4.457705  
1 1 1 -3  12 24 o 62.56824 0.7731515 38.49804       0.9561849 43.39740       1.497879  35.12840       1.242221  6.606232       1.546303  
1 1 1 -3  12 25 o 108.8015 1.190155  118.1359       2.584824  122.8306       3.800149  114.0937       3.526191  4.012016       2.380310  
1 1 1 -3  12 26 o 158.2252 1.679731  249.4800       5.296196  262.6233       7.903533  238.7680       7.135168  7.525391       3.359462  
1 1 1 -3  12 27 o 71.64867 0.8512440 51.33288       1.219634  50.51004       1.707336  52.19031       1.742859  -1.172249      1.702488  
1 1 1 -3  12 28 o 147.5464 1.574157  217.7658       4.643173  221.4260       6.686242  214.3565       6.452850  2.391418       3.148314  
1 1 1 -3  12 29 o 74.86824 0.8808967 56.03976       1.318633  54.89431       1.837682  57.25548       1.893216  -1.576241      1.761793  
1 1 1 -3  12 30 f 242.8089 2.543892  591.2214       12.35359  591.1858       17.47465  591.2570       17.46658  -0.1496887E-01 5.087784  
1 1 1 -3  12 31 o 217.2675 2.283285  473.0787       9.919220  467.3798       13.84478  479.0894       14.21847  -2.680466      4.566570  
1 1 1 -3  12 32 o 223.5935 2.348947  501.4392       10.50267  506.1588       15.00584  496.9070       14.70479  2.054520       4.697894  
1 1 1 -3  12 33 o 84.58827 0.9721537 71.03365       1.635738  66.49769       2.179526  76.88348       2.475134  -6.132317      1.944307  
1 1 1 -3  12 34 o 117.3633 1.280591  137.7722       3.003555  134.4297       4.149766  141.4497       4.352845  -2.983566      2.561183  
1 1 1 -3  12 35 o 63.54424 0.7928943 40.39929       1.007521  40.55175       1.438784  40.25259       1.411313  0.2346878      1.585789  
1 1 1 -3  12 36 f 62.22799 0.7833309 38.68974       0.9736578 39.82045       1.420483  37.68773       1.337207  1.711361       1.566662  
1 1 1 -3  12 37 o 101.6832 1.132686  103.4914       2.302218  105.3433       3.322383  101.7808       3.193120  1.745552       2.265372  
1 1 1 -3  12 38 f 25.38873 0.6972597 6.210040       0.3465983 8.335689       0.5495017 4.805615       0.4466552 6.948780       1.394519  
1 1 1 -3  12 39 o 31.76812 0.6585953 10.06992       0.4172022 10.44962       0.6185901 9.753089       0.5650625 1.094509       1.317191  
1 1 1 -3  12 40 o 53.97858 0.7402315 29.09528       0.7982231 27.51735       1.099609  30.85303       1.160572  -3.087376      1.480463  
1 1 1 -3  12 41 o 93.93438 1.068990  88.39032       2.007946  89.16148       2.871433  87.65237       2.808926  0.7993164      2.137980  
1 1 1 -3  12 42 o 26.89589 0.7181427 7.135053       0.3832819 8.148711       0.5882697 6.387341       0.5052403 3.270269       1.436285  
1 1 1 -3  12 43 o 94.57704 1.541332  89.88323       2.915370  89.28693       4.132371  90.47413       4.113605  -0.6297073     3.082664  
1 1 1 -3  12 44 o 10.61463 1.410679  1.223083       0.2838340 0.7800804      0.4241651 1.582293       0.3819495 -3.894663      2.821357  
1 1 1 -3  12 45 o 50.85357 0.7429717 25.85151       0.7549350 24.45398       1.044006  27.38315       1.092953  -2.876675      1.485943  
1 1 1 -3  12 46 o 7.830967 1.610546  0.5567158      0.2849938 0.9953049      0.4400637 0.2398843      0.3740253 3.828467       3.221092  
1 1 1 -3  12 47 o 49.74599 0.7516615 24.34725       0.7393838 27.75336       1.156776  21.99448       0.9614120 5.772110       1.503323  
1 1 1 -3  12 48 o 33.98940 0.7307706 11.59408       0.4958852 11.07817       0.7118543 12.08044       0.6911777 -1.476208      1.461541  
1 1 1 -3  12 49 o 77.91081 1.376310  60.79445       2.138206  56.72120       2.891524  65.70939       3.176252  -5.716255      2.752620  
1 1 1 -3  12 50 o 53.36896 1.162751  28.58529       1.235547  29.12285       1.843848  28.14721       1.664533  0.8852692      2.325503  
1 1 1 -3  12 51 o 39.36873 0.7464774 15.52340       0.5870275 15.75220       0.8543410 15.31877       0.8079633 0.5454140      1.492955  
1 1 1 -3  12 52 o 56.09860 0.8143488 31.41904       0.9101253 33.16758       1.360920  30.00432       1.224141  2.801353       1.628698  
1 1 1 -3  12 53 o 24.26311 0.8677014 5.938457       0.4188592 5.352017       0.6006992 6.493411       0.5843515 -2.354605      1.735403  
1 1 1 -3  12 54 o 50.57880 1.078224  25.54558       1.086228  23.68235       1.457757  27.87154       1.628742  -4.107918      2.156448  
1 1 1 -3  12 55 o 32.60183 1.067393  10.68724       0.6950476 9.936374       0.9684504 11.48480       0.9981120 -2.368490      2.134786  
1 1 1 -3  12 56 f 27.88317 1.117734  7.817132       0.6206233 6.855997       0.8569619 8.877250       0.9000072 -3.614098      2.235468  
1 1 1 -3  12 57 f 35.54733 1.068434  12.72667       0.7595829 12.68809       1.076706  12.76489       1.071736  -0.1091995     2.136867  
1 1 1 -3  12 58 o 27.39130 1.146187  7.563667       0.6241536 6.497301       0.8646984 8.723624       0.9018461 -4.053713      2.292373  
1 1 1 -3  12 59 f 40.93810 1.076630  16.81752       0.8794625 18.36399       1.292570  15.48447       1.200071  3.492584       2.153261  
1 1 1 -3  13 1  o 194.2027 2.038981  377.2258       7.918348  380.8461       11.31482  373.7510       11.08518  1.825226       4.077962  
1 1 1 -3  13 2  f 244.2632 2.549766  596.7752       12.45221  605.3519       17.88534  588.7067       17.34716  3.402771       5.099531  
1 1 1 -3  13 3  o 193.9525 2.885066  374.9959       11.15294  359.8647       15.04767  393.4403       16.61362  -8.640869      5.770132  
1 1 1 -3  13 4  o 343.2380 4.122929  1179.964       28.30225  1174.560       39.85846  1185.460       40.19450  -1.583221      8.245858  
1 1 1 -3  13 5  o 233.2040 2.439632  543.3787       11.36521  529.1901       15.62414  559.3229       16.56255  -6.452835      4.879264  
1 1 1 -3  13 6  o 490.1348 5.089986  2404.537       49.82438  2338.927       68.31717  2479.087       72.82309  -14.21771      10.17997  
1 1 1 -3  13 7  o 230.7633 2.414016  530.9786       11.10868  510.0916       15.03620  556.0798       16.48344  -9.951645      4.828032  
1 1 1 -3  13 8  o 444.3971 4.613469  1977.371       40.96727  2025.597       59.46425  1933.801       56.52070  10.27621       9.226937  
1 1 1 -3  13 9  o 136.9410 1.788045  188.1105       4.637094  189.2072       5.713107  185.9931       7.938439  1.189346       3.576090  
1 1 1 -3  13 10 o 277.7700 4.101456  772.7059       22.77440  786.3009       32.81833  760.0775       31.63024  4.699493       8.202912  
1 1 1 -3  13 11 o 175.8789 2.622453  308.9233       9.207444  299.0947       12.56954  320.3037       13.52554  -6.018005      5.244906  
1 1 1 -3  13 12 f 231.2423 3.423116  533.1157       15.76880  562.3031       23.58801  509.5320       21.20305  11.37065       6.846232  
1 1 1 -3  13 13 o 108.1274 1.465721  113.5733       2.880985  125.0277       5.457012  109.1470       3.392266  7.328049       2.931442  
1 1 1 -3  13 14 o 316.3598 4.048197  998.9363       23.97221  1016.059       42.28690  990.8279       29.09989  3.697021       8.096394  
1 1 1 -3  13 15 o 58.52695 0.7311677 34.18360       0.8546925 35.63479       1.249266  32.90664       1.171878  2.330341       1.462335  
1 1 1 -3  13 16 o 280.9882 3.164754  791.0946       17.60426  790.4565       26.87425  791.5742       23.29911  -0.2731323     6.329508  
1 1 1 -3  13 17 o 182.8437 2.724209  334.4678       9.952885  342.8322       14.45188  326.9214       13.72708  4.336517       5.448417  
1 1 1 -3  13 18 f 138.1068 2.088901  190.6880       5.763532  195.6652       8.387535  186.2355       7.933162  3.406372       4.177802  
1 1 1 -3  13 19 o 181.3754 2.706722  328.7475       9.799534  341.3286       14.40800  317.9177       13.36767  6.431046       5.413445  
1 1 1 -3  13 20 o 133.3662 1.758114  176.6351       4.374080  174.2925       5.286438  181.7203       7.788738  -2.750977      3.516228  
1 1 1 -3  13 21 f 262.3423 2.740128  687.1264       14.33660  718.5046       21.24999  660.9118       19.42300  10.93655       5.480255  
1 1 1 -3  13 22 f 212.3966 2.228473  451.4462       9.462461  459.1731       13.61980  444.2366       13.15612  3.507187       4.456945  
1 1 1 -3  13 23 o 272.7181 2.846878  744.5206       15.51378  762.8713       22.52139  727.9503       21.40106  6.373291       5.693756  
1 1 1 -3  13 24 o 136.8958 1.467219  187.5114       4.017068  186.8510       5.663240  188.1800       5.698913  -0.4848938     2.934438  
1 1 1 -3  13 25 o 209.7165 2.201906  439.9327       9.226225  451.2417       13.41202  429.7737       12.71183  5.102203       4.403811  
1 1 1 -3  13 26 o 138.4865 1.485205  190.9057       4.095899  181.7040       5.494734  202.4125       6.144536  -7.465988      2.970411  
1 1 1 -3  13 27 o 134.0166 1.440559  179.5661       3.857992  183.5987       5.592959  175.9056       5.328679  2.865585       2.881118  
1 1 1 -3  13 28 o 216.4998 2.273388  469.1848       9.835309  458.6466       13.57599  480.8252       14.26827  -5.100296      4.546776  
1 1 1 -3  13 29 o 195.0567 2.055380  381.0850       8.016561  376.5327       11.19720  385.8722       11.48244  -2.384811      4.110760  
1 1 1 -3  13 30 o 148.9063 1.590375  221.6814       4.730822  215.6923       6.504198  228.4089       6.893552  -4.259277      3.180750  
1 1 1 -3  13 31 o 160.5786 1.708702  258.3011       5.487607  257.8510       7.750530  258.7535       7.770806  -0.2803040     3.417404  
1 1 1 -3  13 32 o 128.9336 1.393067  166.4464       3.592136  165.4233       5.054081  167.4908       5.106421  -0.8000488     2.786135  
1 1 1 -3  13 33 o 133.5654 1.439647  178.6680       3.845383  177.0339       5.393657  180.3572       5.483850  -1.240433      2.879294  
1 1 1 -3  13 34 o 82.38280 0.9538665 67.59813       1.565741  71.57662       2.339827  64.37197       2.107012  4.365387       1.907733  
1 1 1 -3  13 35 o 73.53093 0.8769084 54.10765       1.289570  53.61859       1.818444  54.60244       1.829057  -0.6686707     1.753817  
1 1 1 -3  13 36 o 53.39964 0.7240763 28.42066       0.7716967 26.75160       1.051087  30.37238       1.136611  -3.387623      1.448153  
1 1 1 -3  13 37 o 94.11626 1.064554  88.70316       2.003770  87.99839       2.819770  89.42209       2.847957  -0.7549820     2.129108  
1 1 1 -3  13 38 o 37.87862 0.6653115 14.34357       0.5031704 14.57653       0.7357799 14.13891       0.6896398 0.5761337      1.330623  
1 1 1 -3  13 39 o 75.20177 0.9007965 56.48627       1.352918  54.10379       1.854011  59.19999       1.978699  -3.382278      1.801593  
1 1 1 -3  13 40 f 68.37851 0.8474256 46.77773       1.158490  45.43668       1.612807  48.20724       1.665152  -2.023293      1.694851  
1 1 1 -3  13 41 o 45.35829 0.7025813 20.51808       0.6360673 18.89690       0.8718320 22.36304       0.9300588 -3.818039      1.405163  
1 1 1 -3  13 42 f 32.16040 0.6931337 10.33602       0.4448799 10.59882       0.6540932 10.10981       0.6068680 0.7579556      1.386267  
1 1 1 -3  13 43 o 47.90787 0.7261589 22.98446       0.6955816 22.38693       0.9845470 23.57993       0.9828572 -1.245201      1.452318  
1 1 1 -3  13 44 o 89.04712 1.033479  79.47868       1.840199  77.97146       2.571483  81.06072       2.634531  -1.728783      2.066958  
1 1 1 -3  13 45 o 37.37073 0.7057921 13.98793       0.5269321 13.13602       0.7403746 14.86238       0.7501096 -2.309059      1.411584  
1 1 1 -3  13 46 o 53.56012 0.7698883 28.66223       0.8235706 26.86587       1.133007  30.67469       1.199221  -3.550152      1.539777  
1 1 1 -3  13 47 o 39.95576 1.089006  16.07630       0.8672819 15.27047       1.259085  16.80385       1.196361  -1.926922      2.178011  
1 1 1 -3  13 48 o 44.87628 1.121730  20.21434       1.003224  17.97880       1.393812  22.61751       1.445123  -5.160862      2.243461  
1 1 1 -3  13 49 o 30.39101 0.7773021 9.272838       0.4710392 8.417559       0.6643291 10.13756       0.6679860 -2.829395      1.554604  
1 1 1 -3  13 50 o 9.036587 1.744930  0.8391045      0.3229879 0.9878860      0.4909838 0.7255997      0.4288440 1.317044       3.489860  
1 1 1 -3  13 51 o 54.67516 0.8014169 29.71719       0.8708301 32.24394       1.324799  27.79479       1.155556  4.047684       1.602834  
1 1 1 -3  13 52 o 50.84154 0.7922733 25.94269       0.8051505 25.36259       1.149523  26.50136       1.128089  -1.122890      1.584547  
1 1 1 -3  13 53 o 67.47901 1.033969  45.76251       1.395178  44.77087       1.952256  46.79761       1.994585  -1.493973      2.067939  
1 1 1 -3  13 54 f 26.17791 1.102464  6.895635       0.5770395 7.008476       0.8281580 6.789156       0.8044715 0.4138508      2.204929  
1 1 1 -3  13 55 o 29.49012 1.073833  8.703980       0.6310576 7.764347       0.8592290 9.804419       0.9298490 -3.443388      2.147665  
1 1 1 -3  13 56 o 15.82966 1.589689  2.523774       0.4993024 3.014209       0.7408513 2.115615       0.6758564 2.815583       3.179379  
1 1 1 -3  13 57 o 16.61708 1.657192  2.895533       0.5050029 1.743130       0.6906476 4.219585       0.7402986 -7.629425      3.314383  
1 1 1 -3  13 58 o 44.89999 1.097041  20.14021       0.9804336 22.56672       1.474066  18.21511       1.312961  4.801445       2.194083  
1 1 1 -3  13 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  14 1  o 316.0461 3.289230  997.9658       20.75110  1034.065       30.49487  966.8345       28.31879  10.60544       6.578460  
1 1 1 -3  14 2  o 274.9330 2.871647  756.0606       15.77979  771.8229       22.81719  741.6110       21.84641  5.482391       5.743295  
1 1 1 -3  14 3  o 92.94837 1.034121  85.11391       1.900360  94.75548       2.971351  78.44042       2.472045  8.774155       2.068242  
1 1 1 -3  14 4  o 278.2795 2.899504  775.1255       16.13596  780.9622       23.00723  769.4754       22.63667  2.059143       5.799008  
1 1 1 -3  14 5  f 102.2512 1.131158  104.5645       2.313169  103.9002       3.255367  105.2421       3.287499  -0.6560211     2.262315  
1 1 1 -3  14 6  o 98.24295 1.085897  94.15179       2.092197  85.28590       2.662136  108.4740       3.383562  -11.79776      2.171794  
1 1 1 -3  14 7  o 464.4376 4.826612  2162.318       44.80546  2123.199       62.07557  2204.863       64.73716  -8.730103      9.653224  
1 1 1 -3  14 8  o 490.1739 5.096947  2404.917       49.84948  2322.010       67.77052  2502.656       73.58331  -18.27942      10.19389  
1 1 1 -3  14 9  o 185.4395 1.950602  343.9635       7.232481  348.4581       10.37129  339.7085       10.09101  2.356354       3.901205  
1 1 1 -3  14 10 o 43.75023 0.6335490 18.63827       0.5464889 16.17099       0.7045952 22.36343       0.8657714 -7.076485      1.267098  
1 1 1 -3  14 11 o 261.2966 2.726715  683.1015       14.24094  696.4777       20.57302  670.7957       19.73270  4.901276       5.453431  
1 1 1 -3  14 12 o 163.3047 1.728361  266.6181       5.641432  261.4427       7.813477  272.2541       8.153778  -3.306625      3.456723  
1 1 1 -3  14 13 o 61.36784 1.069294  37.22828       1.302272  41.17095       1.998940  34.32096       1.716531  5.579117       2.138589  
1 1 1 -3  14 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  14 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  14 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  14 17 o 174.4434 3.683493  304.7702       12.85122  304.7702       12.85122  ?              ?         ?              ?         
1 1 1 -3  14 18 o 140.6699 1.855934  194.7172       4.802665  206.4333       8.835361  189.8036       5.721806  5.866608       3.711868  
1 1 1 -3  14 19 o 199.9945 2.101540  400.2963       8.404428  404.5982       12.02240  396.1848       11.75347  2.098877       4.203080  
1 1 1 -3  14 20 o 205.7552 2.160669  423.3052       8.881684  434.6669       12.92609  413.1435       12.22446  5.217194       4.321337  
1 1 1 -3  14 21 o 43.83699 0.6575010 19.06811       0.5741282 21.05085       0.8594709 17.47043       0.7715122 4.083256       1.315002  
1 1 1 -3  14 22 o 123.6733 1.338561  152.9966       3.310414  154.6033       4.729965  151.4539       4.634753  1.272034       2.677122  
1 1 1 -3  14 23 o 94.56787 1.059557  88.90839       1.994935  95.08255       2.999140  84.00879       2.671694  5.851364       2.119113  
1 1 1 -3  14 24 o 207.7362 2.181771  431.9756       9.061135  425.3507       12.60538  439.0589       13.03413  -3.289215      4.363542  
1 1 1 -3  14 25 f 160.0071 1.699479  255.8500       5.430968  263.7475       7.935372  248.8913       7.448795  4.632767       3.398958  
1 1 1 -3  14 26 o 86.35246 0.9865875 73.16873       1.679157  82.83249       2.662544  66.78693       2.163694  9.284409       1.973175  
1 1 1 -3  14 27 o 32.46618 0.6496791 10.49439       0.4203106 9.311418       0.5751947 11.84977       0.6156870 -3.908840      1.299358  
1 1 1 -3  14 28 o 163.6909 1.739615  267.4995       5.681047  257.4012       7.714493  279.4645       8.397294  -6.720032      3.479230  
1 1 1 -3  14 29 o 48.34117 0.6933601 22.59804       0.6569310 27.39561       1.067372  19.67257       0.8334957 7.985046       1.386720  
1 1 1 -3  14 30 o 63.53331 0.7930635 40.31277       1.006288  41.59352       1.470792  39.18562       1.379777  1.893410       1.586127  
1 1 1 -3  14 31 f 72.13428 0.8624342 52.01946       1.243321  53.08653       1.799479  51.04473       1.719864  1.413574       1.724868  
1 1 1 -3  14 32 o 138.7270 1.490888  192.8027       4.136463  191.9243       5.829765  193.6933       5.870129  -0.6358185     2.981777  
1 1 1 -3  14 33 o 13.25549 1.017731  1.766011       0.2674113 1.700444       0.4018683 1.818113       0.3582350 -0.4453211     2.035463  
1 1 1 -3  14 34 o 67.02557 0.8259575 44.83602       1.105509  42.83620       1.513062  47.12620       1.619180  -3.197105      1.651915  
1 1 1 -3  14 35 o 46.50075 0.6874921 21.51428       0.6375597 19.68738       0.8660275 23.67603       0.9420539 -4.286533      1.374984  
1 1 1 -3  14 36 f 42.07037 0.6753843 17.48993       0.5639024 19.48656       0.8656028 16.01781       0.7432618 4.118736       1.350769  
1 1 1 -3  14 37 o 31.46101 0.6799695 9.890769       0.4244665 8.283857       0.5856004 11.66963       0.6161355 -5.379862      1.359939  
1 1 1 -3  14 38 o 106.6112 1.186851  113.4459       2.523188  108.2667       3.413265  119.6863       3.746643  -5.334312      2.373703  
1 1 1 -3  14 39 o 59.27691 0.7772907 35.13701       0.9204438 35.87776       1.339664  34.47464       1.266798  1.180218       1.554581  
1 1 1 -3  14 40 o 31.51401 0.6796044 9.810042       0.4252799 11.08389       0.6504545 8.858908       0.5620559 3.526009       1.359209  
1 1 1 -3  14 41 o 28.41014 0.7008780 7.975947       0.3951563 8.916949       0.6067770 7.282952       0.5207143 2.871469       1.401756  
1 1 1 -3  14 42 f 46.09196 0.7723722 21.30326       0.7108192 22.59655       1.001567  19.99076       1.008975  2.827183       1.544744  
1 1 1 -3  14 43 o 49.38058 0.7338281 24.28975       0.7219144 25.81590       1.080195  23.05789       0.9704778 2.785461       1.467656  
1 1 1 -3  14 44 o 39.58611 0.7122030 15.70152       0.5621740 15.58674       0.8261160 15.80052       0.7672156 -0.2742844     1.424406  
1 1 1 -3  14 45 o 61.26197 1.184429  37.68584       1.450659  36.28731       2.039508  39.11788       2.063789  -2.307144      2.368857  
1 1 1 -3  14 46 o 35.63581 0.9002246 12.85494       0.6173557 13.20085       0.7796914 12.27363       1.010754  1.325001       1.800449  
1 1 1 -3  14 47 o 42.45889 0.7395833 18.08434       0.6269423 16.85602       0.8866934 19.31232       0.8865673 -2.892570      1.479167  
1 1 1 -3  14 48 o 41.89542 0.7360995 17.58877       0.6157756 17.58964       0.8968293 17.58800       0.8469832 -0.3028870E-02 1.472199  
1 1 1 -3  14 49 o 22.10855 0.8813216 4.877192       0.3870177 5.118283       0.5882378 4.693178       0.5139122 0.9519367      1.762643  
1 1 1 -3  14 50 o 67.64099 0.8824018 45.89381       1.193022  46.21985       1.719737  45.59134       1.656418  0.4561691      1.764804  
1 1 1 -3  14 51 o 41.65112 0.7671400 17.40223       0.6374223 15.80913       0.8923057 19.06237       0.9108841 -3.902901      1.534280  
1 1 1 -3  14 52 o 18.77411 1.135942  3.578309       0.4120385 2.463905       0.5670059 4.825333       0.5997965 -6.282691      2.271883  
1 1 1 -3  14 53 o 24.50877 1.119493  6.047528       0.5486193 6.013731       0.7831298 6.080099       0.7687985 -0.1384144     2.238986  
1 1 1 -3  14 54 o 10.85076 1.919781  1.248766       0.4156291 1.241645       0.6018286 1.255259       0.5746870 -0.6102085E-01 3.839563  
1 1 1 -3  14 55 o 24.65343 1.172874  6.168106       0.5738763 5.345655       0.8171297 6.968601       0.8061489 -3.294380      2.345748  
1 1 1 -3  14 56 f 32.22719 1.055606  10.45798       0.6803079 10.66169       0.9698398 10.26064       0.9545439 0.6185608      2.111212  
1 1 1 -3  14 57 o 31.35559 1.097810  9.899876       0.6861826 11.06055       0.9914616 8.832804       0.9506423 3.541189       2.195620  
1 1 1 -3  14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  15 1  o 216.7302 2.273410  470.0660       9.853728  467.3696       13.84416  472.8348       14.02822  -1.258530      4.546821  
1 1 1 -3  15 2  o 209.0611 2.193563  437.2192       9.168658  431.0974       12.76876  443.7356       13.17360  -3.017731      4.387127  
1 1 1 -3  15 3  o 140.8218 1.503035  197.7572       4.222134  190.3295       5.728069  206.5938       6.247713  -5.770432      3.006070  
1 1 1 -3  15 4  f 88.08262 0.9942178 77.56330       1.750920  76.28839       2.439392  78.91812       2.514672  -1.492340      1.988436  
1 1 1 -3  15 5  o 71.74908 0.8436027 50.45297       1.193635  57.62156       1.889737  45.69440       1.539654  8.310020       1.687205  
1 1 1 -3  15 6  o 156.4734 1.659206  244.9505       5.192420  245.3723       7.352546  244.5310       7.333872  0.2686462      3.318412  
1 1 1 -3  15 7  o 153.2916 1.629013  234.7063       4.987474  228.1758       6.842459  242.1088       7.285034  -4.540192      3.258027  
1 1 1 -3  15 8  o 151.7243 1.613757  230.2377       4.895663  227.2915       6.830993  233.3490       7.019898  -1.994278      3.227514  
1 1 1 -3  15 9  o 200.9818 2.279537  404.5262       9.075911  402.9139       13.80583  405.7533       12.04430  -0.7330933     4.559073  
1 1 1 -3  15 10 o 183.3275 2.365988  337.3185       8.218390  333.7871       14.05695  339.1525       10.13008  -1.527878      4.731975  
1 1 1 -3  15 11 o 199.7072 2.967185  399.2640       11.84361  391.5659       16.39820  407.6589       17.12418  -4.013046      5.934371  
1 1 1 -3  15 12 o 135.9778 2.056218  184.9603       5.589269  181.6588       7.759787  188.5199       8.057454  -2.518051      4.112436  
1 1 1 -3  15 13 f 106.1983 1.431713  111.4392       2.819895  109.1880       3.385487  116.5395       5.095869  -3.441704      2.863426  
1 1 1 -3  15 14 o 115.5451 1.254197  132.5387       2.880576  142.4173       4.374483  124.9758       3.827576  7.542000       2.508394  
1 1 1 -3  15 15 f 268.3010 2.801907  721.0892       15.03485  719.2032       21.19279  723.0002       21.33288  -0.7045593     5.603813  
1 1 1 -3  15 16 o 154.7807 1.643801  239.6879       5.088123  237.8016       7.138588  241.6359       7.254188  -1.237122      3.287602  
1 1 1 -3  15 17 f 259.7366 2.713562  675.7714       14.09565  672.5986       19.82770  679.0133       20.04255  -1.230011      5.427123  
1 1 1 -3  15 18 o 298.6396 3.797627  901.7176       21.66623  918.2036       27.04944  872.2075       36.18981  8.003357       7.595253  
1 1 1 -3  15 19 o 116.0477 1.782740  134.4392       4.129342  139.9535       6.076306  129.7071       5.628869  4.407448       3.565481  
1 1 1 -3  15 20 f 189.5082 2.825094  359.8923       10.70708  358.0339       15.05625  361.7939       15.22943  -0.9873505     5.650189  
1 1 1 -3  15 21 o 57.31091 1.035984  32.58855       1.181433  30.32208       1.576634  35.49086       1.784140  -4.507210      2.071968  
1 1 1 -3  15 22 o 208.4460 3.100468  435.6382       12.92199  430.0717       18.02113  441.5290       18.53876  -2.730835      6.200937  
1 1 1 -3  15 23 o 157.2686 2.016460  251.2939       6.166399  230.9145       9.727178  264.9866       7.973245  -10.87250      4.032921  
1 1 1 -3  15 24 o 136.6974 1.467004  187.0031       4.010705  186.6622       5.666821  187.3453       5.677182  -0.2496490     2.934007  
1 1 1 -3  15 25 o 86.01511 0.9825432 73.44120       1.680339  79.14582       2.548818  69.05582       2.234750  5.860847       1.965086  
1 1 1 -3  15 26 o 37.79829 0.6481739 14.04888       0.4855000 16.16995       0.7509801 12.52583       0.6363677 4.819298       1.296348  
1 1 1 -3  15 27 o 93.98035 1.061748  88.20113       1.993002  85.24419       2.733848  91.55509       2.911604  -3.354317      2.123495  
1 1 1 -3  15 28 o 48.04115 0.6942728 22.71779       0.6606735 25.78423       1.024792  20.53683       0.8642537 5.459076       1.388546  
1 1 1 -3  15 29 o 144.7495 1.550121  209.8436       4.487442  208.7092       6.315820  211.0001       6.377027  -0.7891388     3.100241  
1 1 1 -3  15 30 o 196.5006 2.074607  386.5462       8.138818  374.3314       11.12049  400.6361       11.94359  -6.647995      4.149215  
1 1 1 -3  15 31 o 179.5708 1.902742  323.4865       6.833538  323.2751       9.663803  323.6979       9.664362  -0.1176758     3.805485  
1 1 1 -3  15 32 f 151.6477 1.622843  230.5385       4.921834  229.2644       6.925254  231.8390       6.996338  -0.8449707     3.245687  
1 1 1 -3  15 33 o 44.58331 0.6811096 19.85956       0.6068692 18.88782       0.8417703 20.91127       0.8757213 -2.268417      1.362219  
1 1 1 -3  15 34 o 44.17555 0.6896601 19.14131       0.6032794 16.51848       0.7911147 22.78586       0.9325593 -7.089397      1.379320  
1 1 1 -3  15 35 o 153.9611 1.649225  237.5942       5.072793  244.0211       7.382915  231.8466       6.981897  3.922760       3.298451  
1 1 1 -3  15 36 o 56.29504 0.7574593 31.71576       0.8527134 31.01117       1.200948  32.43214       1.210952  -1.261696      1.514919  
1 1 1 -3  15 37 o 72.58352 0.8823123 52.26127       1.273684  48.32615       1.695283  57.36135       1.929975  -6.212708      1.764625  
1 1 1 -3  15 38 o 51.14770 0.7255086 26.18442       0.7418993 26.17043       1.063295  26.19770       1.035659  -0.2786636E-01 1.451017  
1 1 1 -3  15 39 o 15.97637 1.173545  2.872861       0.3081728 1.206076       0.4391982 4.489362       0.4325226 -10.40180      2.347089  
1 1 1 -3  15 40 o 32.20416 0.6976302 10.41338       0.4477413 9.498045       0.6376655 11.30354       0.6288306 -2.803635      1.395260  
1 1 1 -3  15 41 o 29.43075 1.079937  8.667368       0.6309622 8.826736       0.9559916 8.544364       0.8398736 0.4695244      2.159873  
1 1 1 -3  15 42 o 45.36850 0.9174180 20.48925       0.7537187 20.95016       1.412354  20.30572       0.8912383 0.6686630      1.834836  
1 1 1 -3  15 43 o 10.49071 2.114744  1.079673       0.4598425 1.476559       0.7438018 0.8341295      0.5850449 2.723380       4.229489  
1 1 1 -3  15 44 o 51.76275 0.9394593 26.06643       0.9006060 24.84189       1.073884  28.96942       1.653457  -3.929440      1.878919  
1 1 1 -3  15 45 o 19.56908 0.9027240 3.906501       0.3467076 3.387959       0.5206844 4.319551       0.4647127 -2.386072      1.805448  
1 1 1 -3  15 46 o 50.77773 0.7657236 25.78518       0.7766008 24.03218       1.073526  27.70973       1.124828  -3.616215      1.531447  
1 1 1 -3  15 47 o 30.47122 0.7583755 9.234933       0.4596353 9.960616       0.6956367 8.672624       0.6123454 2.104885       1.516751  
1 1 1 -3  15 48 o 12.65973 1.452772  1.800428       0.3311918 0.9543003      0.4921889 2.500555       0.4477154 -6.242533      2.905544  
1 1 1 -3  15 49 o 72.87851 0.9191189 53.30509       1.339593  52.82115       1.899102  53.78435       1.889874  -0.6620865     1.838238  
1 1 1 -3  15 50 o 49.21759 0.7814540 24.27137       0.7684259 22.75625       1.070296  25.88319       1.103921  -3.172195      1.562908  
1 1 1 -3  15 51 o 39.06390 0.7692007 15.33428       0.5997979 14.53270       0.8589929 16.09695       0.8378857 -2.005035      1.538401  
1 1 1 -3  15 52 o 36.57217 0.9543061 13.51048       0.6942607 14.57933       0.9611094 12.34422       1.003958  3.063271       1.908612  
1 1 1 -3  15 53 o 19.17163 1.369357  3.612122       0.4920444 5.748630       0.7670197 2.118051       0.6414163 9.436112       2.738715  
1 1 1 -3  15 54 o 35.89919 1.042049  12.97473       0.7476968 12.99379       1.077133  12.95701       1.038718  0.4234314E-01  2.084098  
1 1 1 -3  15 55 o 12.99553 1.807080  1.800740       0.4560909 1.276007       0.6559003 2.292013       0.6346446 -4.077135      3.614161  
1 1 1 -3  15 56 o 7.408024 1.944040  0.3028425      0.4331113 -0.3236754     0.6403178 0.8312337      0.5880397 -3.288676      3.888080  
1 1 1 -3  15 57 o 24.30072 1.265918  5.994966       0.6125500 5.459185       0.8775147 6.504153       0.8554594 -2.156860      2.531836  
1 1 1 -3  16 1  f 44.03219 0.6482543 18.85492       0.5625165 16.25243       0.7245227 22.80438       0.8925357 -7.439156      1.296509  
1 1 1 -3  16 2  o 104.9092 1.150094  109.8999       2.409872  113.5955       3.519813  106.6390       3.306342  3.313698       2.300188  
1 1 1 -3  16 3  o 156.0042 1.654970  243.0678       5.155900  251.2685       7.543732  235.8788       7.063068  4.926544       3.309940  
1 1 1 -3  16 4  o 136.0980 1.455638  185.0822       3.958200  190.1501       5.754960  180.5326       5.452741  3.530014       2.911276  
1 1 1 -3  16 5  f 105.7233 1.159820  111.1980       2.441708  105.7015       3.274317  118.0835       3.664771  -5.852371      2.319640  
1 1 1 -3  16 6  f 223.7052 2.855046  504.6871       12.19217  489.9654       20.42306  512.8390       15.19736  -5.227203      5.710092  
1 1 1 -3  16 7  o 336.5901 4.970064  1139.026       33.45240  1150.215       47.80980  1128.293       46.82332  3.217377       9.940127  
1 1 1 -3  16 8  o 186.4941 2.778281  347.5164       10.34016  335.6522       14.07858  361.4122       15.23634  -6.880447      5.556563  
1 1 1 -3  16 9  o 231.0763 3.423800  535.2061       15.81842  542.5216       22.70555  528.3068       22.05009  3.057678       6.847599  
1 1 1 -3  16 10 o 129.1788 1.713650  165.1311       4.103028  162.1499       4.925929  171.8859       7.414812  -3.734947      3.427299  
1 1 1 -3  16 11 f 309.0877 3.220692  956.8925       19.89773  939.7303       27.57845  975.5262       28.73654  -5.761414      6.441383  
1 1 1 -3  16 12 o 79.84248 0.9237104 63.69767       1.473876  65.26922       2.135791  62.26884       2.036503  1.878227       1.847421  
1 1 1 -3  16 13 o 97.27740 1.080420  94.29500       2.095903  90.22939       2.836458  99.18439       3.110579  -4.600441      2.160840  
1 1 1 -3  16 14 o 165.2082 1.751325  273.1357       5.786654  273.5032       8.194070  272.7701       8.173100  0.2215729      3.502651  
1 1 1 -3  16 15 o 135.7730 1.457615  184.4275       3.957875  185.6401       5.633289  183.2453       5.561955  0.8809967      2.915230  
1 1 1 -3  16 16 f 57.86098 0.7418600 33.48024       0.8584184 33.24231       1.204426  33.72589       1.223779  -0.4177475     1.483720  
1 1 1 -3  16 17 o 148.7021 1.585376  220.4754       4.700922  231.1416       6.978813  211.6159       6.360360  6.556152       3.170752  
1 1 1 -3  16 18 o 88.41520 1.003983  78.00184       1.772068  81.24111       2.603625  75.20626       2.418742  3.410950       2.007966  
1 1 1 -3  16 19 f 174.3148 1.845751  303.8630       6.429346  297.3111       8.876009  311.0954       9.325580  -3.945129      3.691502  
1 1 1 -3  16 20 o 72.56896 0.8639783 52.24615       1.247026  48.82394       1.660591  56.67181       1.888417  -5.405014      1.727957  
1 1 1 -3  16 21 o 209.8622 2.204466  441.1209       9.252652  440.5015       13.06508  441.7442       13.10547  -0.2950287     4.408933  
1 1 1 -3  16 22 o 48.58942 0.7642357 23.14681       0.7328846 29.23155       1.120366  18.59558       0.9689537 10.94330       1.528471  
1 1 1 -3  16 23 o 186.6798 2.412002  349.7539       8.510418  350.6811       10.45634  347.9342       14.64776  0.8770905      4.824004  
1 1 1 -3  16 24 f 52.57967 0.9966217 27.25576       1.039337  24.61572       1.366541  30.87844       1.600783  -5.951786      1.993243  
1 1 1 -3  16 25 o 115.6841 1.783649  133.8249       4.121644  130.1653       5.661455  137.9519       6.012105  -3.354950      3.567297  
1 1 1 -3  16 26 o 48.08966 0.9681122 22.66669       0.9206244 20.05257       1.197509  26.44450       1.439578  -6.641258      1.936224  
1 1 1 -3  16 27 o 62.37186 1.104110  38.57800       1.369633  42.29278       2.075296  35.71143       1.823037  5.269657       2.208220  
1 1 1 -3  16 28 o 88.34291 1.220828  78.84573       2.062837  75.61863       3.429635  80.67498       2.582122  -2.887199      2.441656  
1 1 1 -3  16 29 f 127.1698 1.377539  161.3439       3.492228  169.4769       5.196081  154.6438       4.716228  5.812691       2.755078  
1 1 1 -3  16 30 f 36.69743 0.6548713 13.44107       0.4796852 13.94608       0.7055024 13.00689       0.6541583 1.278538       1.309743  
1 1 1 -3  16 31 o 119.1094 1.301216  141.7790       3.093725  147.1588       4.548189  137.1464       4.220536  4.188072       2.602431  
1 1 1 -3  16 32 o 109.6666 1.212036  120.2259       2.654371  116.1976       3.634561  124.8301       3.885706  -3.923157      2.424072  
1 1 1 -3  16 33 o 164.5943 1.756303  270.2065       5.749468  288.2131       8.696118  256.2226       7.663396  9.636002       3.512606  
1 1 1 -3  16 34 o 22.19579 0.7541340 4.955260       0.3330440 4.483607       0.4785526 5.398252       0.4637852 -2.060936      1.508268  
1 1 1 -3  16 35 o 66.03712 0.8272325 43.64224       1.092419  42.78695       1.531375  44.52846       1.558819  -1.317390      1.654465  
1 1 1 -3  16 36 o 116.4641 1.283442  135.9702       2.989037  136.9462       4.270765  135.0332       4.184818  0.8151932      2.566884  
1 1 1 -3  16 37 f 100.4967 1.129963  101.1964       2.270572  102.2425       3.254389  100.2042       3.169443  1.008209       2.259926  
1 1 1 -3  16 38 o 13.74486 1.207899  1.904336       0.2919255 3.220887       0.4507403 0.9530803      0.3831388 8.375843       2.415799  
1 1 1 -3  16 39 o 52.19521 0.7469127 27.27917       0.7795135 26.59056       1.102687  27.96707       1.102110  -1.318653      1.493825  
1 1 1 -3  16 40 o 53.33487 1.101797  28.48785       1.173675  26.45717       1.630119  30.67361       1.691221  -3.947250      2.203595  
1 1 1 -3  16 41 o 52.94247 1.099255  28.09178       1.161893  28.49695       1.699560  27.73625       1.592035  0.7077904      2.198510  
1 1 1 -3  16 42 o 79.65215 0.9554068 63.40744       1.517992  66.31625       2.246869  60.96486       2.058949  3.340858       1.910814  
1 1 1 -3  16 43 o 50.08311 0.7535754 25.00945       0.7529227 22.84141       1.027837  27.51998       1.106047  -4.664501      1.507151  
1 1 1 -3  16 44 o 69.28049 0.8766731 48.00404       1.212037  49.77864       1.786058  46.48922       1.650155  2.360062       1.753346  
1 1 1 -3  16 45 f 20.66324 0.8921582 4.221030       0.3656804 4.771355       0.5628605 3.819092       0.4810282 2.294924       1.784316  
1 1 1 -3  16 46 f 14.73018 1.153370  2.208189       0.3338692 2.010289       0.5084974 2.358153       0.4426469 -1.190975      2.306741  
1 1 1 -3  16 47 o 89.90443 1.058240  81.14782       1.902225  79.30946       2.650458  83.10056       2.731683  -2.096123      2.116480  
1 1 1 -3  16 48 o 114.5888 1.289293  132.1860       2.953873  133.5686       4.238546  130.8804       4.118840  1.150108       2.578587  
1 1 1 -3  16 49 o 49.54375 0.7857772 24.51491       0.7766051 22.26305       1.063186  27.09080       1.137108  -4.862461      1.571554  
1 1 1 -3  16 50 o 82.59751 1.008272  68.56378       1.665478  67.32989       2.344857  69.82000       2.365967  -1.503632      2.016544  
1 1 1 -3  16 51 f 26.17827 0.9797724 6.853576       0.5067645 6.679917       0.6630768 7.097465       0.7857963 -0.7755566     1.959545  
1 1 1 -3  16 52 o 34.57137 1.042149  11.98805       0.7185298 10.78278       0.9892364 13.33406       1.045397  -3.678265      2.084298  
1 1 1 -3  16 53 o 25.29625 1.142630  6.457449       0.5771263 6.311142       0.8348785 6.591345       0.7986836 -0.5628510     2.285260  
1 1 1 -3  16 54 f 40.76537 1.045475  16.73533       0.8521649 16.33836       1.207062  17.12978       1.203233  -0.9715881     2.090949  
1 1 1 -3  16 55 o 43.47112 1.072459  19.02967       0.9320433 19.57464       1.341428  18.52101       1.295964  1.200233       2.144919  
1 1 1 -3  16 56 o 6.093342 1.822246  -0.1891020     0.4323871 -0.9413986     0.6545587 0.3933206      0.5759346 -2.518274      3.644493  
1 1 1 -3  16 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  17 1  o 177.3082 1.870704  314.6243       6.633800  315.0509       9.396602  314.2003       9.366691  0.2394409      3.741408  
1 1 1 -3  17 2  f 291.3186 3.735208  847.5921       20.37183  861.7733       35.91718  840.8662       24.73548  3.266693       7.470415  
1 1 1 -3  17 3  o 243.8639 3.608583  596.4039       17.60005  595.6129       24.87039  597.1974       24.91010  -0.3237762     7.217167  
1 1 1 -3  17 4  o 356.5904 5.265148  1278.944       37.53985  1294.973       53.83998  1263.779       52.36929  4.313721       10.53030  
1 1 1 -3  17 5  o 391.4188 5.782436  1543.051       45.25903  1558.398       64.73500  1528.376       63.30097  3.770569       11.56487  
1 1 1 -3  17 6  o 215.7388 2.769606  466.2910       11.27180  466.4356       13.81361  466.0030       19.49926  0.2212372      5.539212  
1 1 1 -3  17 7  o 224.1065 2.348321  502.3576       10.51650  491.5550       14.51845  514.2825       15.25394  -5.057083      4.696643  
1 1 1 -3  17 8  o 305.5269 3.184824  935.6156       19.46094  936.6159       27.55704  934.6201       27.48694  0.3248291      6.369647  
1 1 1 -3  17 9  o 40.13567 0.6316152 16.09607       0.5067306 15.69496       0.7025970 16.53090       0.7315290 -1.041233      1.263230  
1 1 1 -3  17 10 f 338.2665 3.523527  1147.362       23.83200  1134.009       33.26756  1161.438       34.15712  -4.027496      7.047055  
1 1 1 -3  17 11 o 88.32185 0.9974762 77.63908       1.755402  73.80974       2.362267  82.36118       2.623216  -4.838768      1.994952  
1 1 1 -3  17 12 f 161.7062 1.714934  261.5050       5.543060  256.7233       7.683246  266.6952       8.004779  -3.078354      3.429867  
1 1 1 -3  17 13 o 209.5431 2.200221  439.6092       9.220306  442.1757       13.12273  437.1067       12.95780  1.206192       4.400442  
1 1 1 -3  17 14 o 118.3074 1.285199  139.5415       3.032487  146.2850       4.495173  133.9095       4.108090  5.225471       2.570398  
1 1 1 -3  17 15 o 89.15096 1.007786  79.49857       1.796847  79.88029       2.553259  79.12402       2.529163  0.4239120      2.015573  
1 1 1 -3  17 16 o 179.3861 1.895432  321.2043       6.783557  309.6850       9.214762  334.8327       10.02291  -6.993347      3.790864  
1 1 1 -3  17 17 o 128.2831 1.385715  164.6560       3.555180  163.7644       5.005219  165.5638       5.050656  -0.7006378     2.771431  
1 1 1 -3  17 18 f 160.1093 1.705149  256.1040       5.451583  248.4845       7.462530  264.8238       7.983183  -5.092499      3.410298  
1 1 1 -3  17 19 o 124.2028 1.345336  154.1386       3.337982  158.6823       4.863900  150.0935       4.589298  3.453156       2.690673  
1 1 1 -3  17 20 o 103.6979 1.150840  107.3006       2.381836  111.8202       3.507371  103.4323       3.244782  4.040451       2.301679  
1 1 1 -3  17 21 o 144.2037 1.543208  207.5356       4.439927  199.8383       6.031914  216.6374       6.559181  -5.812805      3.086416  
1 1 1 -3  17 22 o 90.60458 1.033029  82.12131       1.871826  83.06899       2.665200  81.19887       2.629485  1.031441       2.066059  
1 1 1 -3  17 23 o 115.9515 1.266289  134.4405       2.934709  131.6177       4.064018  137.5163       4.242334  -2.539742      2.532578  
1 1 1 -3  17 24 o 184.3265 1.948629  340.4732       7.183626  341.1166       10.18240  339.8357       10.13612  0.3457031      3.897259  
1 1 1 -3  17 25 o 82.15126 0.9537261 67.10811       1.559880  71.78864       2.345398  63.39559       2.088833  5.102852       1.907452  
1 1 1 -3  17 26 o 20.78433 0.7533017 4.325762       0.3125437 4.247194       0.4538918 4.396607       0.4310030 -0.3598595     1.506603  
1 1 1 -3  17 27 o 88.16495 1.005611  77.71250       1.771713  79.67879       2.569510  75.93040       2.446197  2.122276       2.011221  
1 1 1 -3  17 28 o 73.47136 1.064296  54.69770       1.508294  56.70067       1.916097  51.43472       2.445610  3.601547       2.128592  
1 1 1 -3  17 29 o 182.6270 2.744061  335.8648       10.02065  332.1190       13.99919  339.8008       14.34999  -2.070297      5.488121  
1 1 1 -3  17 30 o 74.46178 1.246350  55.53278       1.855918  55.98197       2.647446  55.09872       2.602461  0.5909195      2.492700  
1 1 1 -3  17 31 o 115.6581 1.794254  134.2662       4.149367  132.5910       5.791094  136.0335       5.948244  -1.475769      3.588508  
1 1 1 -3  17 32 o 23.84043 1.021077  5.706169       0.4721858 3.997676       0.6447231 7.682855       0.6934828 -7.726599      2.042153  
1 1 1 -3  17 33 o 113.2027 1.519751  129.3921       3.279024  125.8124       5.512609  131.3521       4.079114  -2.554626      3.039502  
1 1 1 -3  17 34 o 66.65691 0.9083835 44.64636       1.198969  43.29537       1.813700  45.69500       1.597920  -1.810486      1.816767  
1 1 1 -3  17 35 o 114.6006 1.264793  131.6631       2.898828  130.5835       4.080010  132.7635       4.119398  -0.9483032     2.529587  
1 1 1 -3  17 36 o 52.11316 0.7419221 27.19522       0.7729951 26.54079       1.098236  27.83774       1.088194  -1.244846      1.483844  
1 1 1 -3  17 37 o 66.59190 1.036654  45.42571       1.322513  40.76113       2.147938  48.27377       1.678378  -5.674271      2.073308  
1 1 1 -3  17 38 o 25.08919 1.178535  6.403544       0.5825970 5.591438       0.8647745 7.078456       0.7883517 -2.970163      2.357070  
1 1 1 -3  17 39 o 14.99550 1.412437  2.424930       0.3828829 2.774410       0.4857274 1.851410       0.6222364 3.280119       2.824874  
1 1 1 -3  17 40 o 59.79554 0.8017012 35.79231       0.9584380 34.61794       1.337283  37.03268       1.374349  -2.016422      1.603402  
1 1 1 -3  17 41 o 31.63781 0.7174352 9.931784       0.4511183 10.84023       0.6863806 9.240946       0.5985545 2.520956       1.434870  
1 1 1 -3  17 42 o 66.27409 0.8526562 44.00655       1.129996  43.01066       1.582844  45.04167       1.613714  -1.529442      1.705312  
1 1 1 -3  17 43 f 28.87445 0.7448195 8.364261       0.4293843 8.114010       0.6199487 8.594995       0.5952842 -0.8350563     1.489639  
1 1 1 -3  17 44 o 28.77323 0.7562352 8.231784       0.4333591 9.031708       0.6500795 7.591989       0.5813832 2.495152       1.512470  
1 1 1 -3  17 45 o 32.83939 0.7512811 10.82891       0.4922442 10.42907       0.7130885 11.19288       0.6803422 -1.166283      1.502562  
1 1 1 -3  17 46 o 42.60343 0.7458144 17.62667       0.6247138 21.49349       1.001655  15.16503       0.7991957 7.405472       1.491629  
1 1 1 -3  17 47 o 38.28921 0.7522079 14.70061       0.5751284 14.60047       0.8355405 14.79078       0.7928466 -0.2532806     1.504416  
1 1 1 -3  17 48 o 56.16504 0.8125613 31.58164       0.9117179 29.65723       1.260158  33.69540       1.320699  -3.586643      1.625123  
1 1 1 -3  17 49 o 8.004462 1.821669  0.6045241      0.3316732 0.8267611      0.5145420 0.4465387      0.4338315 1.904728       3.643337  
1 1 1 -3  17 50 o 37.61157 0.9079573 14.11893       0.6700401 13.77051       0.8624298 14.64948       1.064235  -1.135170      1.815915  
1 1 1 -3  17 51 o 45.62527 1.046915  20.78587       0.9513875 19.19100       1.276992  22.77543       1.426283  -3.897083      2.093830  
1 1 1 -3  17 52 o 33.64925 1.048075  11.41252       0.7041260 10.66374       0.9970655 12.15747       0.9945084 -2.220131      2.096149  
1 1 1 -3  17 53 o 24.64273 1.162106  6.180724       0.5668957 5.296792       0.8149608 7.009422       0.7890880 -3.481485      2.324213  
1 1 1 -3  17 54 o 33.67163 1.061263  11.43272       0.7140278 10.95169       1.014893  11.90419       1.004759  -1.416931      2.122525  
1 1 1 -3  17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  17 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  18 1  o 88.17944 1.400910  77.78238       2.470376  78.61236       3.524596  76.98093       3.463484  0.9243011      2.801820  
1 1 1 -3  18 2  o 129.9217 1.721526  166.6837       4.143048  163.1185       4.967659  174.8294       7.508809  -4.468521      3.443053  
1 1 1 -3  18 3  o 109.0072 1.197272  118.4690       2.602560  113.9860       3.523095  123.8538       3.861256  -4.522598      2.394544  
1 1 1 -3  18 4  o 150.0139 1.597764  223.9962       4.772425  213.3707       6.398081  237.3231       7.165361  -7.972382      3.195529  
1 1 1 -3  18 5  o 124.7791 1.350875  155.4019       3.364854  150.1310       4.591866  161.5147       4.944972  -4.557213      2.701750  
1 1 1 -3  18 6  o 288.6764 3.012218  834.6786       17.38006  819.2858       24.07198  851.4409       25.11972  -5.540680      6.024437  
1 1 1 -3  18 7  o 119.5160 1.298578  142.8979       3.103896  142.3270       4.366986  143.4807       4.412512  -0.4821243     2.597156  
1 1 1 -3  18 8  o 69.86867 0.8366045 47.76028       1.151906  55.04871       1.829739  42.97519       1.482575  8.637444       1.673209  
1 1 1 -3  18 9  o 199.1494 2.094810  396.7399       8.337627  405.4254       12.06757  388.8069       11.53296  4.161743       4.189621  
1 1 1 -3  18 10 o 28.16847 0.6553318 7.917318       0.3687438 7.557978       0.5065563 8.322368       0.5378110 -1.356617      1.310664  
1 1 1 -3  18 11 o 135.8586 1.457500  184.5950       3.958648  181.6514       5.504358  187.7487       5.697377  -2.241180      2.915000  
1 1 1 -3  18 12 o 183.0329 1.931271  334.8726       7.060668  344.9249       10.30218  325.9684       9.695959  5.166199       3.862541  
1 1 1 -3  18 13 o 154.5869 1.647385  237.2096       5.059254  223.3316       6.705631  255.5489       7.708460  -10.40268      3.294771  
1 1 1 -3  18 14 o 60.80547 0.7723275 36.97717       0.9391990 37.34163       1.335061  36.62007       1.321499  0.5932198      1.544655  
1 1 1 -3  18 15 o 184.4912 1.947635  340.7680       7.186052  338.8003       10.10062  342.7849       10.22576  -1.077103      3.895270  
1 1 1 -3  18 16 o 160.3884 1.704930  257.4515       5.468079  255.0493       7.649133  259.9620       7.819752  -1.527985      3.409860  
1 1 1 -3  18 17 o 126.4048 1.367404  159.5936       3.451774  165.1038       5.050238  154.7628       4.728702  4.084740       2.734807  
1 1 1 -3  18 18 o 174.5500 1.847572  304.8864       6.446149  299.2133       8.935845  311.0418       9.308004  -3.378433      3.695145  
1 1 1 -3  18 19 o 93.69447 1.058701  87.30594       1.974800  82.69682       2.644373  93.11762       2.969372  -5.555695      2.117402  
1 1 1 -3  18 20 o 96.06161 1.078324  92.13858       2.068506  89.12028       2.831631  95.59222       3.028947  -3.365166      2.156648  
1 1 1 -3  18 21 o 157.2326 1.675446  247.5017       5.267540  244.4674       7.357128  250.6933       7.545290  -1.974228      3.350893  
1 1 1 -3  18 22 o 322.2078 3.372246  1045.017       21.73120  1046.671       30.78293  1043.374       30.68243  0.5046692      6.744492  
1 1 1 -3  18 23 o 125.7136 1.364142  158.2262       3.429806  158.5077       4.859879  157.9470       4.841132  0.2224197      2.728284  
1 1 1 -3  18 24 o 145.3664 1.558295  211.0702       4.519728  220.0599       6.673165  203.4512       6.143374  5.692215       3.116589  
1 1 1 -3  18 25 o 130.4101 1.410895  170.3279       3.679691  171.3667       5.237233  169.3151       5.171134  0.7839508      2.821789  
1 1 1 -3  18 26 f 61.44409 0.7832561 37.66058       0.9605060 39.48002       1.415309  36.10712       1.307776  2.741993       1.566512  
1 1 1 -3  18 27 o 91.14735 1.034769  83.13557       1.885896  81.90714       2.632904  84.42990       2.702580  -1.381454      2.069537  
1 1 1 -3  18 28 o 153.3823 1.640767  235.6868       5.029185  230.2500       6.945366  241.6799       7.291970  -3.704697      3.281534  
1 1 1 -3  18 29 o 85.29565 0.9832532 72.76798       1.675900  74.48537       2.431072  71.21276       2.313460  1.913368       1.966506  
1 1 1 -3  18 30 o 35.71752 0.6677722 12.77228       0.4767417 12.41553       0.6791621 13.11881       0.6693736 -0.9848061     1.335544  
1 1 1 -3  18 31 o 54.89468 0.7426189 30.08965       0.8138204 31.22197       1.195189  29.11082       1.111224  1.919865       1.485238  
1 1 1 -3  18 32 o 87.91139 1.011549  77.39811       1.778396  77.69408       2.532887  77.11034       2.497547  0.3301239      2.023098  
1 1 1 -3  18 33 o 68.44618 0.8542726 46.66428       1.165838  43.97752       1.574970  49.92087       1.733962  -4.334137      1.708545  
1 1 1 -3  18 34 o 69.92323 1.060282  47.73301       1.375464  45.76363       1.644375  52.32113       2.509887  -4.634186      2.120565  
1 1 1 -3  18 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  18 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  18 37 o 64.15409 1.156091  41.27363       1.483077  40.91272       2.073784  41.65145       2.121817  -0.5713310     2.312182  
1 1 1 -3  18 38 o 75.62517 1.286533  57.13023       1.939336  54.03940       2.614988  60.90800       2.891008  -4.510635      2.573066  
1 1 1 -3  18 39 o 107.6234 1.482560  115.4811       2.973818  119.3943       5.307577  113.6905       3.590302  2.407875       2.965121  
1 1 1 -3  18 40 o 24.72881 0.8934393 6.404240       0.4223996 4.803075       0.6435188 7.616323       0.5598988 -5.695724      1.786879  
1 1 1 -3  18 41 o 68.41838 0.8704916 46.89707       1.190826  45.53345       1.663346  48.33088       1.705614  -2.040291      1.740983  
1 1 1 -3  18 42 o 10.44522 1.475437  1.050184       0.3031133 1.835258       0.4829324 0.5398712      0.3893583 6.130621       2.950875  
1 1 1 -3  18 43 o 30.32151 0.7631118 9.250526       0.4586835 7.768798       0.6434599 10.78130       0.6540217 -4.966547      1.526224  
1 1 1 -3  18 44 o 50.62849 0.7689862 25.66121       0.7780225 24.27036       1.081754  27.15165       1.119812  -2.841537      1.537972  
1 1 1 -3  18 45 f 29.64573 0.7699233 8.383702       0.4452136 11.36113       0.7252007 6.582759       0.5640114 8.041180       1.539847  
1 1 1 -3  18 46 o 63.51240 0.8541775 40.46985       1.084793  40.04887       1.544823  40.87937       1.523655  -0.6565170     1.708355  
1 1 1 -3  18 47 o 56.06352 0.8175485 31.14231       0.9109018 27.89187       1.209886  35.39575       1.384023  -6.668110      1.635097  
1 1 1 -3  18 48 o 91.73697 1.084869  84.63413       1.989755  85.25055       2.856305  84.05297       2.773403  0.6368637      2.169737  
1 1 1 -3  18 49 o 51.80251 0.8560209 26.86085       0.8828444 26.18212       1.186618  27.70236       1.321270  -1.446255      1.712042  
1 1 1 -3  18 50 o 47.76611 1.061239  22.84862       1.010659  24.35353       1.503666  21.60856       1.364958  2.844097       2.122479  
1 1 1 -3  18 51 o 30.06014 1.074082  9.030869       0.6429036 9.844217       0.9661872 8.384616       0.8612417 2.403484       2.148164  
1 1 1 -3  18 52 o 20.10808 1.267605  4.091778       0.5087625 3.885460       0.7296187 4.287035       0.7097887 -1.004074      2.535209  
1 1 1 -3  18 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  18 54 o 36.30386 1.568652  13.29442       1.138962  13.29442       1.138962  ?              ?         ?              ?         
1 1 1 -3  18 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  19 1  o 124.7119 1.348769  155.1392       3.355771  149.3153       4.556712  162.0409       4.960515  -5.096397      2.697537  
1 1 1 -3  19 2  o 147.4200 1.572902  217.4689       4.637312  218.8518       6.598109  216.1190       6.518909  0.9255676      3.145804  
1 1 1 -3  19 3  o 117.9230 1.283405  138.4710       3.015735  146.4747       4.503741  131.9656       4.060415  6.146049       2.566809  
1 1 1 -3  19 4  o 200.0300 2.105201  400.3531       8.416783  392.9438       11.65896  408.4171       12.16331  -3.856674      4.210402  
1 1 1 -3  19 5  o 61.25767 0.7713184 37.53133       0.9449306 37.49969       1.329057  37.56366       1.343731  -0.5209351E-01 1.542637  
1 1 1 -3  19 6  o 129.0331 1.391114  166.5904       3.589963  167.0542       5.089525  166.1313       5.064517  0.3572540      2.782227  
1 1 1 -3  19 7  f 256.6880 2.684164  659.9459       13.77289  648.7639       19.11771  672.0120       19.85906  -4.507019      5.368329  
1 1 1 -3  19 8  o 28.27435 0.6711727 7.950393       0.3782534 7.124866       0.5151277 8.916307       0.5572095 -3.167654      1.342345  
1 1 1 -3  19 9  o 138.5429 1.485191  192.0724       4.115204  191.5993       5.802835  192.5510       5.836868  -0.3428955     2.970383  
1 1 1 -3  19 10 o 55.03211 0.7278533 29.89246       0.7950287 33.59920       1.219595  27.15329       1.048404  5.855076       1.455707  
1 1 1 -3  19 11 o 60.11428 0.7634448 36.05901       0.9165736 37.72754       1.340714  34.59490       1.255901  2.604816       1.526890  
1 1 1 -3  19 12 o 72.89575 0.8691892 52.22960       1.251912  47.57914       1.624377  59.03300       1.964725  -7.852722      1.738378  
1 1 1 -3  19 13 o 156.0502 1.660993  243.7423       5.183630  245.3385       7.381230  242.1891       7.281312  1.006973       3.321985  
1 1 1 -3  19 14 o 113.2514 1.239705  126.5566       2.776774  117.2000       3.617429  139.9779       4.332498  -10.04406      2.479411  
1 1 1 -3  19 15 o 71.24947 0.8586599 50.77920       1.223554  50.56923       1.723430  50.99258       1.737387  -0.2969131     1.717320  
1 1 1 -3  19 16 o 116.3326 1.270722  134.7334       2.944255  142.7896       4.412141  128.2660       3.953176  6.233086       2.541444  
1 1 1 -3  19 17 f 274.3701 2.870970  754.5864       15.73496  735.1093       21.62328  776.5082       22.94026  -7.482361      5.741940  
1 1 1 -3  19 18 o 179.9953 1.905431  324.5217       6.858490  327.4238       9.793715  321.7288       9.607698  1.575745       3.810862  
1 1 1 -3  19 19 o 75.43980 0.8934036 56.78390       1.345406  54.58226       1.835230  59.34190       1.978184  -3.152054      1.786807  
1 1 1 -3  19 20 o 108.7215 1.198142  118.0307       2.600553  113.9561       3.550992  122.7438       3.819101  -4.034309      2.396283  
1 1 1 -3  19 21 o 157.8216 1.682635  249.0757       5.302895  241.5779       7.260777  257.6472       7.763267  -5.071014      3.365269  
1 1 1 -3  19 22 o 100.2763 1.120785  100.6373       2.247593  101.3904       3.202374  99.90614       3.155301  0.7386856      2.241569  
1 1 1 -3  19 23 o 156.3292 1.669484  243.9548       5.202135  233.5096       7.019134  256.6843       7.748715  -7.376068      3.338969  
1 1 1 -3  19 24 o 114.0796 1.252456  130.2787       2.856730  128.3523       3.981350  132.3229       4.101376  -1.735367      2.504912  
1 1 1 -3  19 25 o 152.1918 1.629469  231.1650       4.941342  220.7947       6.652287  243.9301       7.380542  -7.560181      3.258938  
1 1 1 -3  19 26 o 88.89639 1.017628  78.97523       1.806939  76.54758       2.480303  81.72088       2.637753  -2.903687      2.035255  
1 1 1 -3  19 27 o 109.6353 1.211405  120.3625       2.655440  118.3821       3.700027  122.4659       3.813250  -1.856499      2.422810  
1 1 1 -3  19 28 o 18.69593 0.8394237 3.579211       0.3055628 2.702307       0.4398403 4.397221       0.4248135 -4.533400      1.678847  
1 1 1 -3  19 29 o 28.97055 0.6815438 8.340476       0.3934754 9.128676       0.5872293 7.698257       0.5300672 2.466869       1.363088  
1 1 1 -3  19 30 o 77.70351 0.9240725 60.07930       1.429303  64.18848       2.151273  56.83192       1.912423  4.722260       1.848145  
1 1 1 -3  19 31 f 150.6709 1.619141  227.8502       4.877784  224.5776       6.801631  231.3155       6.999062  -2.218552      3.238282  
1 1 1 -3  19 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  19 33 f 116.3470 1.826647  136.2015       4.250286  134.7263       5.975944  137.7117       6.046297  -1.274460      3.653293  
1 1 1 -3  19 34 o 46.76025 0.8798844 22.08910       0.7842624 22.54732       0.9771129 21.25939       1.314831  1.397686       1.759769  
1 1 1 -3  19 35 o 103.7521 1.165718  107.9435       2.418793  106.8922       3.400332  109.0203       3.441418  -1.021988      2.331435  
1 1 1 -3  19 36 o 78.68290 0.9428320 62.02455       1.483519  60.93465       2.079659  63.15379       2.116861  -1.407272      1.885664  
1 1 1 -3  19 37 o 71.88228 0.8939627 51.48678       1.281150  48.19390       1.729941  55.48631       1.906546  -5.058250      1.787925  
1 1 1 -3  19 38 o 59.36431 0.7993017 35.25907       0.9476995 36.15411       1.383417  34.46762       1.300886  1.413769       1.598603  
1 1 1 -3  19 39 o 55.97574 0.7845945 31.37169       0.8780633 30.29706       1.226008  32.50341       1.258154  -1.968136      1.569189  
1 1 1 -3  19 40 o 61.38276 0.9871159 38.01087       1.167112  38.61366       1.471392  36.98816       1.916574  1.373627       1.974232  
1 1 1 -3  19 41 o 35.05016 0.9748799 12.21556       0.6803135 10.96262       0.9143912 13.76906       1.018172  -3.990967      1.949760  
1 1 1 -3  19 42 o 24.40799 1.084165  5.804087       0.5175787 7.869711       0.8060986 4.355162       0.6751272 7.180882       2.168330  
1 1 1 -3  19 43 o 18.55433 1.238675  3.431056       0.4575048 3.880353       0.6852188 3.069650       0.6145530 2.172655       2.477350  
1 1 1 -3  19 44 o 23.54479 1.098478  5.573999       0.5156026 5.006102       0.7216511 6.166204       0.7369334 -2.461166      2.196955  
1 1 1 -3  19 45 o 69.42273 1.233659  48.45941       1.711357  49.72963       2.484018  47.31178       2.361106  1.718163       2.467318  
1 1 1 -3  19 46 o 50.80573 0.9307735 26.24539       0.9097815 24.68777       1.483904  27.18352       1.151614  -2.508785      1.861547  
1 1 1 -3  19 47 f 24.16491 0.8974848 5.786113       0.4298142 6.425333       0.6645356 5.326382       0.5635657 2.257849       1.794970  
1 1 1 -3  19 48 o 85.41853 1.114061  73.28996       1.886509  72.34962       2.500061  74.53340       2.874890  -1.201157      2.228121  
1 1 1 -3  19 49 o 26.68150 1.109036  7.134901       0.5898039 7.561769       0.8791529 6.785535       0.7953467 1.436115       2.218072  
1 1 1 -3  19 50 o 18.95994 1.358139  3.604075       0.5105584 4.338194       0.7580638 2.994623       0.6907052 3.523323       2.716278  
1 1 1 -3  19 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  19 52 o 20.55203 1.892274  4.274376       0.7778017 4.274376       0.7778017 ?              ?         ?              ?         
1 1 1 -3  19 53 o 49.23735 1.097377  24.44305       1.080475  24.08759       1.512015  24.81398       1.544550  -0.7287216     2.194754  
1 1 1 -3  19 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  20 1  o 119.0811 1.295329  141.7825       3.083230  144.7673       4.451683  139.0307       4.274409  2.405899       2.590657  
1 1 1 -3  20 2  o 90.90849 1.027317  82.57552       1.866036  80.57538       2.571986  84.79850       2.711483  -2.320992      2.054634  
1 1 1 -3  20 3  o 58.99740 0.7550713 34.77612       0.8901433 33.97910       1.228006  35.65857       1.292147  -1.422749      1.510143  
1 1 1 -3  20 4  f 208.9363 2.196758  436.2338       9.161061  452.9346       13.47891  421.8959       12.48903  7.401031       4.393516  
1 1 1 -3  20 5  o 128.4964 1.387605  165.0786       3.563388  161.6436       4.926745  168.8467       5.160136  -2.798798      2.775209  
1 1 1 -3  20 6  o 173.0470 1.833324  298.6362       6.324336  313.8265       9.410865  286.1263       8.540300  7.983307       3.666648  
1 1 1 -3  20 7  o 14.96008 0.9589098 2.237182       0.2867428 2.193601       0.3974828 2.284473       0.4140558 -0.3035069     1.917820  
1 1 1 -3  20 8  o 122.1203 1.326355  147.9244       3.216507  138.9565       4.255132  159.8805       4.913152  -8.555016      2.652710  
1 1 1 -3  20 9  o 147.6514 1.579238  217.9305       4.658261  224.2059       6.784105  212.3323       6.407563  4.012329       3.158476  
1 1 1 -3  20 10 o 155.5793 1.658307  242.1327       5.156436  237.2953       7.135849  247.4188       7.459520  -3.245468      3.316615  
1 1 1 -3  20 11 o 310.2871 3.242377  966.2928       20.10466  989.1451       29.15121  945.5637       27.76404  6.952820       6.484755  
1 1 1 -3  20 12 f 93.54108 1.052572  87.34222       1.965717  90.79474       2.885102  84.35090       2.685505  3.441032       2.105144  
1 1 1 -3  20 13 o 181.6504 1.922380  330.3836       6.981202  335.6216       10.04473  325.4893       9.709614  2.778381       3.844760  
1 1 1 -3  20 14 o 49.99092 0.7083724 24.97521       0.7079207 25.76082       1.019894  24.24482       0.9834046 1.515827       1.416745  
1 1 1 -3  20 15 f 243.0864 2.549657  591.6606       12.37227  573.0180       16.88727  613.2619       18.17802  -8.215363      5.099314  
1 1 1 -3  20 16 o 88.19140 1.006760  77.82317       1.775744  78.04036       2.515516  77.60743       2.507067  0.2452698      2.013519  
1 1 1 -3  20 17 o 227.0385 2.386505  516.6012       10.82345  531.2841       15.77717  503.5479       14.87590  6.060150       4.773011  
1 1 1 -3  20 18 o 126.3229 1.369953  159.5607       3.457324  164.1557       5.033174  155.4556       4.757272  3.434601       2.739905  
1 1 1 -3  20 19 o 80.73163 0.9416228 64.82758       1.513851  69.31679       2.272312  61.24495       2.029948  4.993256       1.883246  
1 1 1 -3  20 20 o 69.25742 0.8434845 47.74924       1.164312  50.86306       1.736836  45.20786       1.569084  4.078651       1.686969  
1 1 1 -3  20 21 o 117.3553 1.283964  137.6777       3.009219  142.3431       4.400767  133.5805       4.124054  3.722061       2.567929  
1 1 1 -3  20 22 o 149.2177 1.598621  222.4974       4.758395  214.0882       6.455666  232.5012       7.041163  -6.138458      3.197242  
1 1 1 -3  20 23 o 111.5384 1.228320  124.5452       2.739239  122.7214       3.816692  126.4826       3.933693  -1.681000      2.456640  
1 1 1 -3  20 24 f 73.44081 0.8836052 53.12699       1.283735  59.73310       2.003309  48.52425       1.672179  7.619522       1.767210  
1 1 1 -3  20 25 o 49.47630 0.7127273 24.43636       0.7042897 23.40898       0.9654900 25.60479       1.029634  -2.217026      1.425455  
1 1 1 -3  20 26 o 13.35227 1.066673  1.810989       0.2799217 1.446141       0.4002242 2.160378       0.3916533 -2.675003      2.133346  
1 1 1 -3  20 27 o 71.41432 0.8669052 50.85926       1.235311  48.32014       1.678414  53.86037       1.824730  -3.872780      1.733810  
1 1 1 -3  20 28 o 128.6724 1.398954  165.8514       3.597014  161.6995       4.963451  170.4438       5.220143  -3.379204      2.797908  
1 1 1 -3  20 29 o 12.15210 1.659660  1.751046       0.3347296 1.063613       0.6590357 1.990036       0.3885827 -3.888937      3.319319  
1 1 1 -3  20 30 o 87.23077 1.443089  76.27816       2.516350  74.08114       3.491433  78.65293       3.629919  -2.609016      2.886177  
1 1 1 -3  20 31 o 77.36588 1.836112  60.03983       2.841048  60.03983       2.841048  ?              ?         ?              ?         
1 1 1 -3  20 32 o 82.57910 0.9708177 68.27629       1.602358  69.50008       2.315497  67.15170       2.219691  1.415352       1.941635  
1 1 1 -3  20 33 o 130.4498 1.423289  169.9421       3.697503  161.4099       4.960501  180.6094       5.546560  -7.298882      2.846577  
1 1 1 -3  20 34 f 132.9923 1.450123  177.3046       3.850087  171.1949       5.256957  184.3732       5.654436  -4.907791      2.900246  
1 1 1 -3  20 35 o 82.12935 0.9738795 67.50515       1.598266  65.17053       2.204279  70.09311       2.320797  -2.986992      1.947759  
1 1 1 -3  20 36 o 27.28554 1.146749  7.130687       0.6110240 9.282163       1.002186  5.857754       0.7708730 6.249451       2.293499  
1 1 1 -3  20 37 o 19.68434 0.8779833 3.828100       0.3431689 4.425380       0.5231900 3.377105       0.4546285 2.656425       1.755967  
1 1 1 -3  20 38 o 34.44128 0.7249765 11.90788       0.4982458 11.29881       0.7164488 12.47834       0.6933698 -1.714207      1.449953  
1 1 1 -3  20 39 o 67.87199 0.8689722 46.18401       1.179530  45.74836       1.669206  46.61851       1.667010  -0.6412506     1.737944  
1 1 1 -3  20 40 o 37.45850 0.7298825 13.93831       0.5438699 15.21080       0.8229401 12.95153       0.7246902 3.006531       1.459765  
1 1 1 -3  20 41 o 26.87068 0.7962487 7.063587       0.4226630 8.509930       0.6620904 6.068744       0.5491096 4.530293       1.592497  
1 1 1 -3  20 42 o 21.98971 0.8707141 4.817130       0.3810534 5.173064       0.5744740 4.537492       0.5091940 1.437166       1.741428  
1 1 1 -3  20 43 o 80.44191 0.9793150 64.96626       1.575399  64.95654       2.243907  64.97570       2.212329  -0.1644135E-01 1.958630  
1 1 1 -3  20 44 o 33.60426 0.7661451 11.19937       0.5120627 12.62313       0.7742085 10.09222       0.6827211 3.754595       1.532290  
1 1 1 -3  20 45 f 18.26085 1.038158  3.292203       0.3705359 4.432217       0.5632315 2.422321       0.4919964 5.490549       2.076317  
1 1 1 -3  20 46 o 24.29505 0.8806992 5.878128       0.4260114 6.437560       0.6406065 5.434558       0.5704246 2.053261       1.761398  
1 1 1 -3  20 47 o 63.07044 1.051334  39.08838       1.247218  37.40280       1.509364  42.71683       2.214520  -4.073921      2.102668  
1 1 1 -3  20 48 o 45.35195 0.9726108 20.75904       0.8735226 21.30582       1.165741  20.05890       1.319124  1.404385       1.945222  
1 1 1 -3  20 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  20 50 o 59.69447 1.648885  35.93849       1.968586  35.93849       1.968586  ?              ?         ?              ?         
1 1 1 -3  20 51 o 10.72196 1.746268  0.9210600      0.4624483 2.451880       0.7190538 -0.1587572     0.6039130 9.592875       3.492536  
1 1 1 -3  20 52 o 19.82663 1.346523  3.988992       0.5320113 3.873742       0.7795444 4.089468       0.7278665 -0.5612564     2.693046  
1 1 1 -3  20 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  21 1  o 149.7122 1.600144  224.3817       4.790977  225.9220       6.817589  222.8789       6.734111  1.014160       3.200288  
1 1 1 -3  21 2  o 149.1215 1.594114  222.6233       4.754229  223.3721       6.750064  221.8862       6.697237  0.4968567      3.188229  
1 1 1 -3  21 3  o 123.2449 1.337368  151.3889       3.285611  159.4465       4.891435  144.7645       4.435119  5.946594       2.674736  
1 1 1 -3  21 4  f 110.2420 1.212248  121.2632       2.666555  116.7946       3.625033  126.5322       3.936326  -4.410385      2.424496  
1 1 1 -3  21 5  o 116.7143 1.273766  136.2949       2.972863  137.8923       4.250305  134.7649       4.159687  1.337883       2.547532  
1 1 1 -3  21 6  f 103.8348 1.149955  107.8401       2.387396  109.5687       3.427271  106.2107       3.327513  1.615128       2.299910  
1 1 1 -3  21 7  o 191.7215 2.023964  368.2489       7.760030  365.5087       10.88605  371.0798       11.06481  -1.446823      4.047928  
1 1 1 -3  21 8  o 40.01945 0.6650938 16.00303       0.5320672 16.62340       0.7664171 15.42590       0.7392322 1.495823       1.330188  
1 1 1 -3  21 9  o 197.1323 2.079519  389.0799       8.191604  380.5465       11.30488  398.5136       11.88633  -4.535080      4.159038  
1 1 1 -3  21 10 o 158.9985 1.693593  252.9137       5.380473  259.5047       7.815856  246.9766       7.418001  3.926682       3.387187  
1 1 1 -3  21 11 o 140.5972 1.510971  197.7147       4.244663  193.1529       5.851048  202.7828       6.167137  -3.414795      3.021942  
1 1 1 -3  21 12 o 193.0956 2.039442  373.2559       7.866261  384.3983       11.47404  363.3748       10.80521  5.414185       4.078884  
1 1 1 -3  21 13 o 64.65443 0.8050025 41.81031       1.040754  41.36707       1.455448  42.27410       1.488816  -0.7008438     1.610005  
1 1 1 -3  21 14 o 32.13262 0.6667049 10.30844       0.4280507 9.814544       0.5906366 10.85483       0.6212319 -1.618252      1.333410  
1 1 1 -3  21 15 o 82.16748 0.9547392 67.55533       1.568896  67.19253       2.205929  67.92669       2.231805  -0.4461212     1.909478  
1 1 1 -3  21 16 o 32.01119 0.6619805 10.24572       0.4236889 9.909871       0.5924752 10.59722       0.6061313 -1.073359      1.323961  
1 1 1 -3  21 17 o 27.92738 0.6830428 7.796730       0.3811791 8.269364       0.5465605 7.349149       0.5318766 1.647213       1.366086  
1 1 1 -3  21 18 o 90.64518 1.030587  81.79266       1.860574  77.58900       2.497265  87.03738       2.789406  -5.202011      2.061175  
1 1 1 -3  21 19 f 93.00117 1.053522  86.44976       1.957323  89.25801       2.852084  83.94964       2.691073  2.848228       2.107043  
1 1 1 -3  21 20 o 59.94047 0.7765321 35.78893       0.9284277 33.81429       1.257982  38.15117       1.375920  -3.614452      1.553064  
1 1 1 -3  21 21 o 33.07965 0.6770461 10.72437       0.4431551 9.013340       0.5827436 13.07085       0.6824271 -6.130331      1.354092  
1 1 1 -3  21 22 o 160.5833 1.715218  258.7807       5.508411  257.2739       7.742075  260.3254       7.838968  -0.9429321     3.430436  
1 1 1 -3  21 23 o 52.41868 0.7294497 27.48406       0.7645492 28.02915       1.096149  26.96765       1.066915  1.011551       1.458899  
1 1 1 -3  21 24 o 69.72890 0.8551657 48.66336       1.192505  49.05521       1.699153  48.28301       1.674041  0.5527115      1.710331  
1 1 1 -3  21 25 o 69.05297 0.8502168 47.54781       1.171142  50.21240       1.734231  45.31386       1.587913  3.540741       1.700434  
1 1 1 -3  21 26 o 50.58037 1.053235  25.61205       1.064967  26.06733       1.534323  25.18881       1.479362  0.8653717      2.106469  
1 1 1 -3  21 27 o 40.35439 1.008228  16.19796       0.8107575 14.56293       1.098178  18.15681       1.202014  -4.447178      2.016456  
1 1 1 -3  21 28 o 89.39716 1.293403  75.03695       2.023587  70.13531       2.316581  90.82107       4.157067  -11.43252      2.586807  
1 1 1 -3  21 29 o 14.89823 1.018981  2.196038       0.3017041 2.506906       0.4579906 1.957709       0.4010121 1.839369       2.037961  
1 1 1 -3  21 30 o 121.5999 1.334396  147.9743       3.237643  154.1831       4.778767  142.7063       4.401858  4.683746       2.668793  
1 1 1 -3  21 31 o 16.32328 0.9792281 2.575331       0.3135193 3.401044       0.4962032 2.026649       0.4044880 4.203530       1.958456  
1 1 1 -3  21 32 o 59.58553 0.7939399 35.02842       0.9384260 31.48470       1.234834  39.87300       1.443802  -7.025574      1.587880  
1 1 1 -3  21 33 o 42.84630 0.7108787 18.36710       0.6087737 17.45564       0.8495333 19.32920       0.8728105 -2.184956      1.421757  
1 1 1 -3  21 34 o 20.83258 0.8690239 4.440131       0.3529936 3.368089       0.5063540 5.453723       0.4923569 -5.006817      1.738048  
1 1 1 -3  21 35 o 70.43897 1.269805  49.47234       1.777814  53.13867       2.700520  46.66803       2.361804  4.548615       2.539610  
1 1 1 -3  21 36 o 15.56461 1.069638  2.436533       0.3305027 2.382684       0.4956142 2.479657       0.4435160 -0.3174505     2.139276  
1 1 1 -3  21 37 o 60.84087 0.8156160 37.09645       0.9923518 36.39321       1.400389  37.80577       1.406425  -1.160301      1.631232  
1 1 1 -3  21 38 o 81.00555 0.9739290 65.83309       1.577652  66.03796       2.251601  65.63550       2.211222  0.2435608      1.947858  
1 1 1 -3  21 39 o 64.49986 0.8475059 41.47933       1.088817  44.24031       1.631716  39.26317       1.461884  3.839153       1.695012  
1 1 1 -3  21 40 o 67.10514 0.8689104 44.83840       1.159810  48.17188       1.754395  42.25055       1.545779  4.387192       1.737821  
1 1 1 -3  21 41 o 29.58165 0.7890622 8.840977       0.4626164 7.581912       0.6608924 10.05058       0.6477812 -4.174124      1.578124  
1 1 1 -3  21 42 o 38.21279 0.7527763 14.58741       0.5740406 15.36765       0.8469307 13.92437       0.7807355 1.881042       1.505553  
1 1 1 -3  21 43 o 8.677439 1.661377  0.6409746      0.3350142 1.414209       0.5242921 0.1074071      0.4355245 5.877213       3.322754  
1 1 1 -3  21 44 o 65.43063 0.8776143 42.92677       1.147027  43.91413       1.671568  42.04811       1.576854  1.411316       1.755229  
1 1 1 -3  21 45 o 34.42668 0.7855588 11.91772       0.5394775 11.34954       0.7791833 12.44086       0.7476653 -1.589424      1.571118  
1 1 1 -3  21 46 f 83.54610 1.094294  70.39722       1.823385  72.49892       2.510523  68.05079       2.652655  2.692192       2.188589  
1 1 1 -3  21 47 o 44.80530 2.390289  20.40303       2.141952  20.40303       2.141952  ?              ?         ?              ?         
1 1 1 -3  21 48 o 38.76726 1.056545  15.09743       0.8180880 14.12901       1.127123  16.17562       1.189280  -2.624935      2.113091  
1 1 1 -3  21 49 f 54.14783 1.115839  29.47332       1.206497  30.95427       1.768113  28.18293       1.650446  2.529495       2.231677  
1 1 1 -3  21 50 o 31.00465 1.089692  9.709311       0.6743426 9.092506       0.9601616 10.30970       0.9472974 -1.966333      2.179384  
1 1 1 -3  21 51 o 38.43191 1.068676  14.81459       0.8192417 16.34663       1.204428  13.49547       1.117603  3.686630       2.137352  
1 1 1 -3  21 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  22 1  o 230.2997 3.438698  534.2372       15.83693  530.0386       22.20377  538.5850       22.59497  -1.825745      6.877397  
1 1 1 -3  22 2  o 91.94539 1.478864  84.60684       2.718401  86.29794       3.912476  83.02853       3.779758  1.773567       2.957728  
1 1 1 -3  22 3  o 75.95620 1.282015  57.40245       1.939885  61.64635       2.905013  53.98701       2.606089  5.033417       2.564030  
1 1 1 -3  22 4  o 72.51872 1.081846  50.66139       1.417020  57.20613       2.728137  48.24335       1.658254  6.153961       2.163692  
1 1 1 -3  22 5  o 130.1827 1.406732  169.6631       3.662199  171.3702       5.228601  168.0193       5.131042  1.283890       2.813464  
1 1 1 -3  22 6  o 90.79207 1.031696  82.17388       1.868154  78.51759       2.529830  86.55883       2.770476  -4.422661      2.063391  
1 1 1 -3  22 7  o 149.5763 1.599334  224.1104       4.784439  223.9071       6.759121  224.3147       6.773339  -0.1357269     3.198667  
1 1 1 -3  22 8  o 63.34341 0.7961574 39.89219       1.004536  37.51240       1.348516  42.85912       1.505703  -4.217411      1.592315  
1 1 1 -3  22 9  o 94.96987 1.068399  90.25684       2.029146  89.62115       2.847792  90.91241       2.892011  -0.6786499     2.136798  
1 1 1 -3  22 10 o 94.86835 1.067430  89.71474       2.019101  85.73869       2.729406  94.52058       3.000719  -4.620857      2.134860  
1 1 1 -3  22 11 o 142.4008 1.530114  202.5344       4.346960  211.5374       6.425326  194.9359       5.902906  5.807007       3.060228  
1 1 1 -3  22 12 o 45.88486 0.6838326 20.97774       0.6259934 19.90689       0.8494512 22.25049       0.9260808 -2.552235      1.367665  
1 1 1 -3  22 13 o 21.62935 0.7378355 4.679461       0.3155700 5.668483       0.4582019 3.787045       0.4352489 4.348751       1.475671  
1 1 1 -3  22 14 o 40.85030 0.6646706 16.68907       0.5428564 17.31327       0.7745857 16.08653       0.7610237 1.501209       1.329341  
1 1 1 -3  22 15 o 57.30431 0.7541529 32.85552       0.8643196 33.00622       1.223236  32.70527       1.221431  0.2625427      1.508306  
1 1 1 -3  22 16 f 105.4850 1.170412  111.3684       2.468361  113.2620       3.547781  109.5918       3.436458  1.735191       2.340824  
1 1 1 -3  22 17 f 81.23627 0.9488105 66.04726       1.541415  66.58855       2.197876  65.52332       2.162339  0.6544037      1.897621  
1 1 1 -3  22 18 o 54.89915 0.7421454 29.95799       0.8116127 32.40139       1.216077  27.99548       1.089856  4.008934       1.484291  
1 1 1 -3  22 19 o 34.14151 0.6657724 11.59542       0.4532738 12.78968       0.6700735 10.58792       0.6154555 3.222878       1.331545  
1 1 1 -3  22 20 o 31.60648 0.6754874 9.958260       0.4260606 10.91034       0.6228044 9.120741       0.5841343 2.829878       1.350975  
1 1 1 -3  22 21 o 70.31504 0.8596137 49.47736       1.208673  50.17680       1.728763  48.80852       1.690523  0.9714355      1.719227  
1 1 1 -3  22 22 o 140.8492 1.638254  199.6919       4.595187  192.0637       6.741869  206.3104       6.279853  -5.094498      3.276507  
1 1 1 -3  22 23 o 107.0285 1.692825  115.0000       3.622605  116.3911       5.196078  113.6843       5.053185  1.251961       3.385649  
1 1 1 -3  22 24 o 46.66405 1.030411  21.38010       0.9516075 25.03362       1.480800  18.80984       1.242022  6.655399       2.060823  
1 1 1 -3  22 25 o 56.80511 0.9413351 33.05713       1.031877  35.60712       1.328448  29.17837       1.638408  5.674618       1.882670  
1 1 1 -3  22 26 o 59.92215 0.7977921 35.41554       0.9478731 40.07650       1.462528  32.03978       1.244663  6.695446       1.595584  
1 1 1 -3  22 27 o 52.23608 0.7441033 27.31487       0.7773783 27.26061       1.097717  27.36946       1.101049  -0.1040268     1.488207  
1 1 1 -3  22 28 o 97.88884 1.562229  96.20691       3.056680  98.50172       4.416165  94.09642       4.235114  2.230301       3.124458  
1 1 1 -3  22 29 o 51.95462 0.7434375 26.20410       0.7585831 31.50156       1.222676  22.88877       0.9672558 8.274971       1.486875  
1 1 1 -3  22 30 o 58.51443 0.7836312 34.23535       0.9157507 35.20728       1.338314  33.37963       1.255759  1.556492       1.567262  
1 1 1 -3  22 31 f 11.49196 1.369854  1.437791       0.2913508 0.9308868      0.4375666 1.841517       0.3905028 -4.122546      2.739707  
1 1 1 -3  22 32 f 6.540441 1.621666  0.3637601      0.2762689 0.9969022E-01  0.4270889 0.5537574      0.3622702 -1.719402      3.243332  
1 1 1 -3  22 33 o 59.17844 1.065601  35.12973       1.226312  35.16514       1.981072  35.10774       1.561426  0.2872467E-02  2.131202  
1 1 1 -3  22 34 o 46.25137 0.7331277 21.22712       0.6741224 23.23627       1.023917  19.68992       0.8956186 3.823811       1.466255  
1 1 1 -3  22 35 o 51.69849 0.7577676 26.57339       0.7789792 28.60751       1.180830  25.00610       1.036511  3.470715       1.515535  
1 1 1 -3  22 36 o 34.77322 0.7242404 11.98661       0.5010014 13.49144       0.7562854 10.80981       0.6687990 3.848198       1.448481  
1 1 1 -3  22 37 o 13.51263 1.187224  1.848988       0.3163542 1.746017       0.4820440 1.926890       0.4192784 -0.6789045     2.374449  
1 1 1 -3  22 38 o 78.43341 0.9558765 61.73374       1.499313  61.73656       2.135011  61.73100       2.105983  -0.2212524E-03 1.911753  
1 1 1 -3  22 39 o 33.72807 0.7564279 11.40191       0.5081652 11.40121       0.7534888 11.40249       0.6882432 -0.8861542E-02 1.512856  
1 1 1 -3  22 40 f 15.79517 1.121060  2.538452       0.3487797 2.294736       0.5255975 2.730213       0.4662213 -1.388165      2.242120  
1 1 1 -3  22 41 o 27.58195 0.8076587 7.609558       0.4440662 7.867686       0.6595923 7.395568       0.6005595 0.8483276      1.615317  
1 1 1 -3  22 42 o 22.84962 0.8945182 5.219592       0.4060003 5.423739       0.6158937 5.062703       0.5399206 0.7781944      1.789036  
1 1 1 -3  22 43 o 53.29493 0.8047739 28.46744       0.8569912 29.10277       1.244444  27.89437       1.181910  1.124813       1.609548  
1 1 1 -3  22 44 o 23.90344 1.039968  5.793071       0.4711961 5.595475       0.7997718 5.898124       0.5831534 -0.6739025     2.079935  
1 1 1 -3  22 45 o 37.01607 1.387621  13.96356       1.018327  15.58934       1.413805  12.21078       1.467987  4.578442       2.775241  
1 1 1 -3  22 46 o 49.00998 0.9644648 23.93195       0.9117208 23.33914       1.140258  24.98271       1.518098  -1.600163      1.928930  
1 1 1 -3  22 47 o 41.57681 1.042012  17.30269       0.8639117 18.85396       1.281774  16.01139       1.169449  3.392593       2.084025  
1 1 1 -3  22 48 o 46.16896 1.064046  21.40242       0.9804296 22.52572       1.445239  20.44474       1.334452  2.226570       2.128092  
1 1 1 -3  22 49 o 29.79811 1.105041  8.885740       0.6559051 9.987576       0.9767793 7.980920       0.8851542 3.341698       2.210082  
1 1 1 -3  22 50 o 100.5461 1.667265  102.9442       3.350711  100.5098       4.641260  105.5942       4.842379  -2.446510      3.334529  
1 1 1 -3  23 1  o 100.4471 1.121103  100.9805       2.251793  99.80360       3.147326  102.2147       3.223058  -1.197617      2.242206  
1 1 1 -3  23 2  o 117.6367 1.287615  138.4422       3.027208  142.1007       4.383895  135.1078       4.185248  2.964447       2.575229  
1 1 1 -3  23 3  o 84.86391 0.9773170 71.73635       1.652838  68.27843       2.226424  75.98186       2.466972  -4.531464      1.954634  
1 1 1 -3  23 4  o 80.88864 0.9438252 65.38645       1.525601  67.76391       2.214020  63.23707       2.105146  2.794998       1.887650  
1 1 1 -3  23 5  o 78.84997 1.129883  63.21376       1.714247  66.08710       2.176118  58.51456       2.782916  4.823120       2.259766  
1 1 1 -3  23 6  o 31.02044 0.9509085 9.635330       0.5895534 9.785144       0.8227358 9.477214       0.8452278 0.4970207      1.901817  
1 1 1 -3  23 7  o 54.02518 1.042724  28.88336       1.119843  32.44221       1.700779  26.15971       1.487881  5.807182       2.085447  
1 1 1 -3  23 8  o 163.3091 2.470170  268.1134       8.065100  264.3465       11.22687  272.1304       11.59352  -2.353149      4.940340  
1 1 1 -3  23 9  o 125.2551 1.687807  153.6817       3.861301  166.2069       7.224020  148.6720       4.568706  6.851280       3.375614  
1 1 1 -3  23 10 o 119.8081 1.307846  143.7248       3.132955  145.8666       4.494566  141.7007       4.369417  1.732994       2.615692  
1 1 1 -3  23 11 o 59.94622 0.7743013 35.91004       0.9276554 37.19595       1.343517  34.73843       1.282420  2.048115       1.548603  
1 1 1 -3  23 12 o 143.8015 1.545812  207.0421       4.441336  212.7136       6.457188  201.9500       6.118484  3.723495       3.091623  
1 1 1 -3  23 13 o 85.37791 0.9850109 72.91190       1.680815  71.44901       2.326064  74.51041       2.431504  -1.788811      1.970022  
1 1 1 -3  23 14 o 160.2061 1.712271  256.7578       5.472095  247.2145       7.425324  268.1013       8.095450  -6.470688      3.424541  
1 1 1 -3  23 15 o 97.78928 1.102118  95.74792       2.155053  94.66698       3.010906  96.88338       3.085888  -1.129623      2.204236  
1 1 1 -3  23 16 o 39.52178 0.6701440 15.54687       0.5282723 17.11317       0.7787143 14.21146       0.7190295 3.669224       1.340288  
1 1 1 -3  23 17 o 63.71357 0.8063000 40.33688       1.022774  43.65817       1.538728  37.70806       1.368954  4.663105       1.612600  
1 1 1 -3  23 18 o 135.8068 1.468850  184.3357       3.978379  176.9963       5.389029  193.1266       5.897900  -5.902985      2.937699  
1 1 1 -3  23 19 f 59.17638 0.9566035 35.32792       1.072468  34.22994       1.824664  35.90743       1.325615  -1.440891      1.913207  
1 1 1 -3  23 20 o 51.80178 1.060305  26.68181       1.093615  28.96592       1.644374  24.87026       1.464429  3.943180       2.120611  
1 1 1 -3  23 21 o 105.7856 1.676092  112.2775       3.543765  109.5342       4.903794  115.2762       5.126931  -2.693764      3.352185  
1 1 1 -3  23 22 o 45.24870 0.8740888 20.64778       0.7457676 20.95429       0.9169186 20.04874       1.281856  1.018105       1.748178  
1 1 1 -3  23 23 o 96.40326 1.093525  93.11512       2.108243  93.70200       3.002560  92.54441       2.960888  0.5976868      2.187050  
1 1 1 -3  23 24 o 83.92201 0.9837217 70.49437       1.650084  68.92579       2.285031  72.20370       2.385344  -1.946495      1.967443  
1 1 1 -3  23 25 f 117.4504 1.296168  138.3198       3.043210  141.0258       4.387499  135.8109       4.224617  2.205208       2.592335  
1 1 1 -3  23 26 o 34.82876 0.9346505 12.03993       0.6480179 10.75269       0.8710129 13.63570       0.9697967 -4.132351      1.869301  
1 1 1 -3  23 27 f 145.2379 1.571611  212.0413       4.564820  213.3907       6.502422  210.7300       6.409834  0.9049530      3.143223  
1 1 1 -3  23 28 o 75.11696 0.9166435 56.19063       1.371599  52.86409       1.841887  60.33164       2.055039  -4.954506      1.833287  
1 1 1 -3  23 29 o 27.34559 0.7333970 7.450548       0.3989092 7.828001       0.6019776 7.155030       0.5326484 1.226063       1.466794  
1 1 1 -3  23 30 o 26.09181 0.7516433 6.821697       0.3918127 6.735181       0.5653623 6.901650       0.5434980 -0.3205681     1.503287  
1 1 1 -3  23 31 o 39.12029 0.7142933 15.32417       0.5580942 14.25742       0.7814423 16.43471       0.7973262 -2.781643      1.428587  
1 1 1 -3  23 32 o 74.36348 0.9157558 54.87643       1.353318  50.68072       1.794466  60.41013       2.060823  -6.515900      1.831512  
1 1 1 -3  23 33 o 13.44790 1.267184  1.772090       0.3185549 2.650340       0.5014598 1.177880       0.4124743 5.602216       2.534369  
1 1 1 -3  23 34 f 73.34753 0.9055457 53.95143       1.328323  53.62850       1.884384  54.27038       1.872734  -0.4388351     1.811091  
1 1 1 -3  23 35 o 48.61508 0.7501302 23.65998       0.7286240 22.21070       1.014822  25.20197       1.046781  -3.073402      1.500260  
1 1 1 -3  23 36 o 14.36127 1.164564  2.136064       0.3242301 1.713876       0.4895467 2.465969       0.4327496 -2.627200      2.329128  
1 1 1 -3  23 37 o 20.88355 0.9407560 4.512693       0.3778864 3.157033       0.5422412 5.792788       0.5269125 -6.312531      1.881512  
1 1 1 -3  23 38 o 73.82210 0.9254500 54.69495       1.366225  54.24736       1.941342  55.13416       1.923055  -0.6031036     1.850900  
1 1 1 -3  23 39 o 39.63192 0.7632382 15.72125       0.6036791 14.33151       0.8370689 17.22742       0.8714298 -3.649521      1.526476  
1 1 1 -3  23 40 o 7.489731 1.746271  0.4540682      0.3198571 0.8790028      0.4973611 0.1543676      0.4176906 3.376164       3.492541  
1 1 1 -3  23 41 o 32.02588 0.7891421 10.31471       0.5041371 9.753192       0.7259436 10.83777       0.7006444 -1.696795      1.578284  
1 1 1 -3  23 42 o 33.86733 1.182706  11.58751       0.7977237 11.07750       1.167232  12.03451       1.092751  -1.428616      2.365412  
1 1 1 -3  23 43 o 19.01274 1.486032  3.785376       0.5446924 4.378870       0.7217552 3.000134       0.8302024 3.655987       2.972065  
1 1 1 -3  23 44 o 67.17162 0.9012439 45.30654       1.210402  43.83145       1.692703  46.85002       1.731490  -2.239899      1.802488  
1 1 1 -3  23 45 o 64.26886 0.9656711 41.33659       1.224735  40.29772       1.597439  42.81808       1.907625  -1.894100      1.931342  
1 1 1 -3  23 46 f 46.28451 0.9841974 21.13896       0.8865370 19.86903       1.116408  23.30679       1.458624  -3.639103      1.968395  
1 1 1 -3  23 47 o 25.92107 1.144462  6.817069       0.5895063 6.315884       0.8629670 7.255572       0.8072000 -1.827614      2.288924  
1 1 1 -3  23 48 o 17.66365 1.438876  3.184278       0.5050630 2.942441       0.7381758 3.397138       0.6925403 -1.303514      2.877753  
1 1 1 -3  23 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  24 1  o 75.79720 0.8990529 57.48617       1.362679  58.38923       1.949390  56.62322       1.905596  1.163437       1.798106  
1 1 1 -3  24 2  o 149.1760 1.598888  223.1522       4.770237  222.4602       6.723607  223.8537       6.768891  -0.4642792     3.197776  
1 1 1 -3  24 3  o 133.0148 1.439593  177.3275       3.829668  178.2327       5.436970  176.4362       5.395208  0.6729736      2.879186  
1 1 1 -3  24 4  o 66.31351 0.8257114 43.62798       1.088425  40.77016       1.445448  47.37037       1.654095  -4.969711      1.651423  
1 1 1 -3  24 5  o 135.0915 1.459804  182.9273       3.943942  184.2038       5.611872  181.6817       5.543902  0.9294586      2.919607  
1 1 1 -3  24 6  o 55.80269 0.7502810 30.96929       0.8345549 33.57537       1.243696  28.83464       1.125599  4.244091       1.500562  
1 1 1 -3  24 7  o 140.0687 1.510137  196.6397       4.228756  193.7346       5.881600  199.7486       6.084277  -2.133789      3.020275  
1 1 1 -3  24 8  o 124.4149 1.355022  154.3778       3.358603  163.4768       5.023538  147.0231       4.516400  6.582535       2.710043  
1 1 1 -3  24 9  o 25.48106 0.7055196 6.385440       0.3561458 5.370553       0.4717578 7.730343       0.5430698 -4.628254      1.411039  
1 1 1 -3  24 10 o 24.12198 0.9004763 5.992373       0.4022568 6.301279       0.4916228 5.366655       0.6996964 1.945444       1.800953  
1 1 1 -3  24 11 o 83.08414 1.369193  68.83136       2.265750  65.43559       3.042058  73.06207       3.395508  -4.567612      2.738385  
1 1 1 -3  24 12 f 73.43333 1.250904  54.03118       1.837097  54.50947       2.611153  53.56237       2.585138  0.6433640      2.501809  
1 1 1 -3  24 13 o 88.52956 1.438631  78.53722       2.545733  77.07915       3.528502  80.12016       3.676475  -1.707420      2.877263  
1 1 1 -3  24 14 o 127.9793 1.973082  164.6612       5.050106  165.6303       7.177695  163.7113       7.106691  0.7428894      3.946165  
1 1 1 -3  24 15 o 92.10597 1.652252  86.59548       2.491881  82.67445       5.332227  87.69108       2.818596  -2.922829      3.304504  
1 1 1 -3  24 16 o 112.8803 1.769197  127.5291       3.982712  121.9990       5.391399  134.1718       5.908919  -5.343811      3.538395  
1 1 1 -3  24 17 o 83.82849 1.387147  70.22944       2.320085  67.06367       3.151042  73.97771       3.428709  -4.103172      2.774295  
1 1 1 -3  24 18 o 92.60909 1.282953  87.28361       2.297364  91.55391       2.939822  80.58514       3.681965  5.973694       2.565905  
1 1 1 -3  24 19 o 88.48695 1.020365  78.29130       1.803417  75.84706       2.474858  81.05862       2.633348  -2.935570      2.040729  
1 1 1 -3  24 20 o 50.06475 0.7263121 25.07782       0.7270190 25.45363       1.044170  24.72421       1.012865  0.7270966      1.452624  
1 1 1 -3  24 21 o 47.76846 0.7187374 22.84026       0.6866448 22.86999       0.9745556 22.81096       0.9676065 0.6145859E-01  1.437475  
1 1 1 -3  24 22 o 36.98569 0.6974878 13.53924       0.5128288 11.80224       0.6871323 15.72333       0.7705063 -5.296749      1.394976  
1 1 1 -3  24 23 o 85.55813 0.9984773 73.31233       1.707992  74.62594       2.454124  72.07836       2.378579  1.483505       1.996955  
1 1 1 -3  24 24 o 101.9881 1.151842  104.2104       2.347902  101.8504       3.248986  106.7901       3.396813  -2.409081      2.303683  
1 1 1 -3  24 25 o 32.11250 0.7205553 10.24078       0.4602783 8.890156       0.6228539 11.86572       0.6831850 -4.629513      1.441111  
1 1 1 -3  24 26 o 65.23739 0.8394079 42.62840       1.095177  42.29320       1.540941  42.97053       1.556808  -0.5179901     1.678816  
1 1 1 -3  24 27 o 22.12858 0.8488911 4.905268       0.3756725 4.834137       0.5284238 4.977960       0.5341853 -0.3245277     1.697782  
1 1 1 -3  24 28 o 91.60156 1.060108  84.02281       1.939559  81.43173       2.661036  86.95946       2.832930  -2.999207      2.120217  
1 1 1 -3  24 29 o 41.35954 0.7119541 17.03035       0.5866756 18.27486       0.8777750 16.02555       0.7887208 2.712593       1.423908  
1 1 1 -3  24 30 o 37.07295 0.7576838 13.77973       0.5613106 14.25014       0.7875872 13.29415       0.8001889 1.290356       1.515368  
1 1 1 -3  24 31 o 64.15513 0.8329161 40.83440       1.061212  44.70400       1.621890  37.93761       1.403292  5.252613       1.665832  
1 1 1 -3  24 32 f 39.55188 0.7238528 15.68624       0.5720303 15.21979       0.8191836 16.13014       0.7991350 -1.152599      1.447706  
1 1 1 -3  24 33 o 36.75921 0.7315029 13.28846       0.5324662 15.44710       0.8264565 11.75653       0.6962226 5.007580       1.463006  
1 1 1 -3  24 34 o 28.74991 0.7626215 8.161125       0.4351193 9.362650       0.6670741 7.271335       0.5740527 3.627480       1.525243  
1 1 1 -3  24 35 o 49.12590 0.7607895 23.97892       0.7433242 26.15284       1.126184  22.30078       0.9894728 3.906158       1.521579  
1 1 1 -3  24 36 f 37.11422 0.7478720 13.83359       0.5537708 12.78045       0.7859547 14.87183       0.7803756 -2.818100      1.495744  
1 1 1 -3  24 37 o 25.51979 0.8217579 6.505485       0.4170003 6.761930       0.6292432 6.304669       0.5568292 0.8869629      1.643516  
1 1 1 -3  24 38 f 14.17383 1.227967  2.045886       0.3436338 1.842230       0.5123451 2.212412       0.4632920 -1.315787      2.455934  
1 1 1 -3  24 39 f 30.25078 0.8879890 9.153242       0.5155826 9.306868       0.8631985 9.068036       0.6428525 0.3606300      1.775978  
1 1 1 -3  24 40 o 37.31308 1.193371  14.10290       0.8852866 12.91554       1.285831  15.17299       1.220677  -3.038727      2.386742  
1 1 1 -3  24 41 o 67.72197 0.8991424 46.06485       1.217501  45.79843       1.739410  46.32075       1.704726  -0.3914795     1.798285  
1 1 1 -3  24 42 o 9.400610 1.788967  0.9466158      0.3463882 0.7452335      0.5320656 1.094755       0.4563408 -1.578126      3.577935  
1 1 1 -3  24 43 o 27.86641 0.8480779 7.848515       0.4695867 7.165746       0.6835268 8.458810       0.6462330 -2.326826      1.696156  
1 1 1 -3  24 44 o 23.17082 0.9857709 5.390772       0.4528180 6.416985       0.6589741 4.472723       0.6232785 4.187777       1.971542  
1 1 1 -3  24 45 o 42.28563 1.051708  17.82700       0.8848376 15.79442       1.187127  20.36779       1.327266  -5.374039      2.103416  
1 1 1 -3  24 46 o 27.02549 1.137611  7.375305       0.6144269 7.105673       0.8735707 7.639283       0.8643639 -0.9898319     2.275221  
1 1 1 -3  24 47 o 24.25984 1.185363  5.944314       0.5710495 5.048193       0.7931805 6.908626       0.8228059 -3.825865      2.370726  
1 1 1 -3  24 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  25 1  f 76.86470 0.9133847 58.97640       1.401011  56.72779       1.906018  61.61919       2.066337  -3.174858      1.826769  
1 1 1 -3  25 2  o 36.30828 0.6645066 12.96129       0.4782894 11.34877       0.6290323 15.17121       0.7363907 -5.260464      1.329013  
1 1 1 -3  25 3  o 50.99875 0.7203689 25.93811       0.7334945 27.72958       1.075142  24.37829       1.003224  3.283173       1.440738  
1 1 1 -3  25 4  o 104.4026 1.163454  109.1845       2.429071  108.2701       3.404295  110.1329       3.467015  -0.8885956     2.326909  
1 1 1 -3  25 5  f 107.5832 1.193336  115.3902       2.557801  122.3192       3.824919  109.7852       3.440152  5.803032       2.386672  
1 1 1 -3  25 6  o 113.0975 1.247764  128.1864       2.822380  128.3841       3.994403  127.9892       3.988498  0.1742401      2.495529  
1 1 1 -3  25 7  o 84.04253 0.9771891 70.17017       1.633251  75.83270       2.474370  65.79826       2.174172  5.955276       1.954378  
1 1 1 -3  25 8  o 46.17136 0.6935391 21.29580       0.6397865 20.53102       0.8809032 22.14957       0.9307421 -1.751003      1.387078  
1 1 1 -3  25 9  o 60.85362 0.7880234 36.85975       0.9554021 34.84887       1.284490  39.34987       1.429379  -3.692333      1.576047  
1 1 1 -3  25 10 o 130.6949 1.419407  171.0257       3.704818  166.1234       5.078255  176.6037       5.416937  -3.984161      2.838814  
1 1 1 -3  25 11 o 131.4449 1.545793  172.8336       4.003281  176.6581       6.252676  170.1767       5.211479  2.379684       3.091586  
1 1 1 -3  25 12 f 79.50629 1.327960  62.88229       2.099495  67.93636       3.182689  58.98869       2.793502  5.599022       2.655920  
1 1 1 -3  25 13 o 77.13084 1.301380  59.61196       2.006464  60.70668       2.894450  58.59925       2.783916  1.358231       2.602760  
1 1 1 -3  25 14 o 31.07971 0.8990887 9.245541       0.5396405 8.158111       0.6665189 11.31482       0.9194348 -5.065559      1.798177  
1 1 1 -3  25 15 o 92.49742 1.059474  85.71300       1.959920  86.20744       2.784172  85.22729       2.759483  0.5282974      2.118948  
1 1 1 -3  25 16 o 88.89893 1.261020  78.83286       2.098399  78.07589       2.546390  80.43469       3.704209  -1.237534      2.522040  
1 1 1 -3  25 17 o 18.94569 0.9942389 3.400188       0.3619339 2.943199       0.4432509 4.314484       0.6269606 -3.606796      1.988478  
1 1 1 -3  25 18 o 51.27261 1.022778  26.33017       1.048194  25.98485       1.453814  26.70401       1.512679  -0.6970940     2.045556  
1 1 1 -3  25 19 f 115.1013 1.800275  133.3257       4.144107  134.2645       5.893738  132.4076       5.828117  0.7983627      3.600549  
1 1 1 -3  25 20 o 47.36903 0.9962473 22.33796       0.9402726 20.85624       1.264417  24.17106       1.406375  -3.488869      1.992495  
1 1 1 -3  25 21 o 44.67222 0.9758603 19.93375       0.8703977 21.13106       1.276878  18.89452       1.189607  2.496777       1.951721  
1 1 1 -3  25 22 o 76.26158 1.132336  56.82287       1.590682  62.18686       2.939355  54.60138       1.891609  4.877525       2.264672  
1 1 1 -3  25 23 o 83.19449 1.068653  69.40554       1.756947  69.38925       2.700689  69.41750       2.313419  -0.5207062E-01 2.137305  
1 1 1 -3  25 24 f 72.66586 0.8977906 52.90253       1.304623  53.48679       1.862421  52.33961       1.828088  0.7865753      1.795581  
1 1 1 -3  25 25 f 78.11983 0.9430019 61.13100       1.472612  62.57641       2.123804  59.79260       2.043682  1.774391       1.886004  
1 1 1 -3  25 26 o 65.40538 0.8463319 42.68804       1.104364  45.44543       1.633511  40.36673       1.498784  3.870674       1.692664  
1 1 1 -3  25 27 o 72.27857 1.296888  52.26111       1.868932  55.52905       2.779789  49.56539       2.524721  4.090500       2.593776  
1 1 1 -3  25 28 o 99.39431 1.136718  98.85217       2.253917  103.8005       3.334703  94.69027       3.058250  4.548019       2.273436  
1 1 1 -3  25 29 o 45.90532 0.7305251 21.01304       0.6683089 22.22081       0.9972423 20.02841       0.9004195 2.379654       1.461050  
1 1 1 -3  25 30 o 31.10970 0.7489845 9.643501       0.4606170 7.753801       0.6271249 11.85717       0.6787561 -6.590233      1.497969  
1 1 1 -3  25 31 o 47.56717 0.7408172 22.64187       0.7037431 23.21291       1.028232  22.13866       0.9652379 1.123058       1.481634  
1 1 1 -3  25 32 o 54.18661 0.7786607 28.85208       0.8327983 33.00069       1.313708  26.06477       1.076814  6.374943       1.557321  
1 1 1 -3  25 33 o 58.80448 0.8101115 34.61100       0.9512710 35.66431       1.392313  33.68885       1.302750  1.669533       1.620223  
1 1 1 -3  25 34 o 46.10158 0.7499045 21.03912       0.6861044 23.43236       1.053289  19.27516       0.9042670 4.492401       1.499809  
1 1 1 -3  25 35 o 18.67224 0.9662246 3.467163       0.3588460 3.822476       0.5434625 3.192499       0.4778207 1.677387       1.932449  
1 1 1 -3  25 36 o 52.59359 0.7873772 27.62783       0.8251550 29.00384       1.231565  26.50697       1.111535  2.358074       1.574754  
1 1 1 -3  25 37 o 20.34960 1.552780  4.251256       0.6221125 3.720651       0.9262264 4.687376       0.8397208 -2.398617      3.105560  
1 1 1 -3  25 38 o 32.43766 0.9955729 10.32401       0.6147136 9.799483       0.7521091 11.37943       1.066869  -2.380173      1.991146  
1 1 1 -3  25 39 o 40.14074 0.7805652 16.20630       0.6242306 14.57921       0.8832181 17.83027       0.8823734 -4.049713      1.561130  
1 1 1 -3  25 40 o 43.00077 0.7865441 18.56835       0.6757088 18.21393       0.9729139 18.89861       0.9391722 -0.8013649     1.573088  
1 1 1 -3  25 41 o 30.82386 0.8293824 9.622930       0.5067648 8.487858       0.7350580 10.65114       0.6996030 -3.515116      1.658765  
1 1 1 -3  25 42 o 62.11816 0.8645464 38.77314       1.073451  38.63723       1.543257  38.90054       1.494114  -0.2214203     1.729093  
1 1 1 -3  25 43 o 28.06256 0.9963313 7.819445       0.5475915 7.435341       0.6989396 8.429938       0.8811632 -1.731493      1.992663  
1 1 1 -3  25 44 o 28.86822 1.112423  8.424395       0.6406294 7.902553       0.9182010 8.919364       0.8942472 -1.767479      2.224845  
1 1 1 -3  25 45 o 48.29908 1.076901  23.45214       1.038515  24.68458       1.523772  22.38311       1.419165  2.354298       2.153803  
1 1 1 -3  25 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  26 1  o 66.65828 0.8289394 44.42442       1.104051  43.26083       1.521541  45.71833       1.604488  -1.839554      1.657879  
1 1 1 -3  26 2  o 83.62210 0.9728863 69.85625       1.623943  67.40077       2.214994  72.71019       2.387952  -3.165321      1.945773  
1 1 1 -3  26 3  o 77.01896 0.9149788 59.28203       1.407581  61.58837       2.055571  57.24578       1.931462  2.812866       1.829958  
1 1 1 -3  26 4  o 43.17222 0.6806152 18.64808       0.5875741 19.13790       0.8371059 18.17241       0.8249382 1.117722       1.361230  
1 1 1 -3  26 5  o 76.57433 0.9145094 58.69201       1.400268  59.82200       2.005332  57.61677       1.956141  1.437401       1.829019  
1 1 1 -3  26 6  o 46.67754 0.7060766 21.44266       0.6535093 24.87780       1.006083  18.93541       0.8595276 6.359486       1.412153  
1 1 1 -3  26 7  o 75.57396 1.098284  57.75256       1.589633  55.36131       2.634531  59.12156       1.993393  -2.527809      2.196567  
1 1 1 -3  26 8  o 72.32144 1.237900  52.41102       1.789876  51.51563       2.490643  53.36730       2.573944  -1.274101      2.475799  
1 1 1 -3  26 9  o 30.61124 0.9625492 9.274842       0.5858034 8.282285       0.7802219 10.55736       0.8868944 -3.709858      1.925098  
1 1 1 -3  26 10 o 64.39051 1.056931  41.30022       1.325610  40.49923       1.684827  42.60181       2.147721  -1.602097      2.113861  
1 1 1 -3  26 11 o 39.91626 0.6881319 15.91118       0.5484893 17.21847       0.7951290 14.72440       0.7575935 3.122429       1.376264  
1 1 1 -3  26 12 o 85.57314 0.9948701 73.21798       1.700024  70.84154       2.326942  75.93848       2.489695  -2.967049      1.989740  
1 1 1 -3  26 13 o 31.54952 0.7021828 9.768394       0.4358769 12.65489       0.6649076 7.593174       0.5772011 8.017582       1.404366  
1 1 1 -3  26 14 o 59.41293 0.7868083 35.33277       0.9346935 34.94385       1.304519  35.74308       1.339903  -0.6706543     1.573617  
1 1 1 -3  26 15 o 114.8857 1.271768  131.5495       2.907298  140.6711       4.386300  124.4022       3.882688  7.035507       2.543536  
1 1 1 -3  26 16 o 69.39662 0.8623608 48.22696       1.196771  47.88087       1.678027  48.58522       1.707333  -0.5056458     1.724722  
1 1 1 -3  26 17 f 52.11525 0.7428512 27.18545       0.7741475 27.57867       1.107300  26.80949       1.082733  0.7365570      1.485702  
1 1 1 -3  26 18 o 74.91843 0.9095151 56.14605       1.361312  54.42706       1.872840  58.07163       1.982182  -2.424278      1.819030  
1 1 1 -3  26 19 o 56.55429 0.7748980 31.82772       0.8732765 29.72641       1.175191  34.41881       1.304980  -4.140106      1.549796  
1 1 1 -3  26 20 o 56.98322 0.9464002 32.62490       1.030508  32.26346       1.730680  32.82344       1.282679  -0.5280495     1.892800  
1 1 1 -3  26 21 o 79.24001 0.9510535 62.73535       1.503700  60.12905       2.043453  65.81338       2.220692  -3.571121      1.902107  
1 1 1 -3  26 22 o 48.27682 0.7365807 23.32905       0.7109927 23.93661       1.020121  22.75512       0.9914810 1.221565       1.473161  
1 1 1 -3  26 23 o 45.96297 0.7308928 21.15577       0.6718198 21.41211       0.9579725 20.90769       0.9424118 0.5475388      1.461786  
1 1 1 -3  26 24 o 45.60238 0.9866046 21.13743       0.8818207 19.25819       1.355301  22.51702       1.161235  -3.593121      1.973209  
1 1 1 -3  26 25 o 20.78435 1.174860  4.462040       0.4465159 4.662683       0.5394388 4.025405       0.7957733 1.565189       2.349720  
1 1 1 -3  26 26 f 98.93737 1.592898  98.64574       3.150787  100.7409       4.531559  96.68491       4.383882  2.022430       3.185796  
1 1 1 -3  26 27 o 57.07599 1.094546  32.67773       1.248799  33.93253       1.799909  31.51304       1.734069  2.110729       2.189093  
1 1 1 -3  26 28 o 20.89583 1.137554  4.384767       0.4746531 4.731303       0.6800333 4.055553       0.6628193 1.614428       2.275108  
1 1 1 -3  26 29 o 16.95783 1.317107  2.862899       0.4399688 3.642229       0.6578729 2.232291       0.5917813 4.145612       2.634213  
1 1 1 -3  26 30 o 11.22091 1.831305  1.301485       0.3991524 1.506990       0.6199364 1.155966       0.5216703 1.482751       3.662611  
1 1 1 -3  26 31 o 9.015717 1.987153  0.8261689      0.3984753 0.6941990      0.6085728 0.9252079      0.5272035 -0.8225670     3.974307  
1 1 1 -3  26 32 o 16.49500 1.215277  2.739465       0.3805133 2.731148       0.6492660 2.743817       0.4696171 -0.6994057E-01 2.430554  
1 1 1 -3  26 33 o 29.47563 0.9261389 8.869978       0.5147750 8.258175       0.8742296 9.194690       0.6368968 -1.621628      1.852278  
1 1 1 -3  26 34 o 56.86846 1.215492  32.36597       1.376426  28.46629       1.873098  36.94366       2.029405  -7.421558      2.430983  
1 1 1 -3  26 35 o 86.29836 1.493311  75.12897       2.570531  77.55600       3.799377  73.08021       3.490759  2.512093       2.986622  
1 1 1 -3  26 36 o 33.81884 0.7736827 11.48529       0.5214564 11.29673       0.7669486 11.64739       0.7111139 -0.5260773     1.547365  
1 1 1 -3  26 37 o 8.267878 1.843091  0.6728277      0.3361878 0.7935793      0.5265467 0.5897266      0.4368112 1.101087       3.686182  
1 1 1 -3  26 38 o 104.5642 1.203781  110.1084       2.515831  107.1545       3.482388  113.3333       3.638597  -2.917412      2.407563  
1 1 1 -3  26 39 o 46.63314 0.7890021 21.81097       0.7348249 22.07048       1.070879  21.58005       1.010174  0.5160789      1.578004  
1 1 1 -3  26 40 o 27.51511 0.8630705 7.622324       0.4721865 7.450580       0.7024211 7.763920       0.6377925 -0.5818424     1.726141  
1 1 1 -3  26 41 o 47.45516 0.7926368 22.55992       0.7503715 23.25972       1.107990  21.96702       1.019852  1.346527       1.585274  
1 1 1 -3  26 42 o 8.383858 2.083954  0.6451471      0.4319524 0.6000387      0.6582229 0.6792668      0.5724622 -0.5527401E-01 4.167909  
1 1 1 -3  26 43 o 38.93273 1.048306  15.25127       0.8151766 14.18711       1.130005  16.40600       1.177105  -2.837200      2.096612  
1 1 1 -3  26 44 o 10.55900 2.104205  1.160737       0.4610900 1.363405       0.7028802 1.007637       0.6109092 1.485880       4.208411  
1 1 1 -3  27 1  o 62.45682 0.8023708 38.90687       0.9993380 37.19442       1.352162  40.96815       1.483507  -3.013664      1.604742  
1 1 1 -3  27 2  o 46.68304 0.7093056 21.80082       0.6620267 21.25801       0.9218565 22.37890       0.9513336 -1.199059      1.418611  
1 1 1 -3  27 3  o 113.4259 1.528654  130.2095       3.319563  125.8716       5.516931  132.6713       4.156110  -3.141525      3.057307  
1 1 1 -3  27 4  o 48.05625 0.9931359 23.08959       0.9534637 24.25942       1.388435  22.04560       1.311642  2.298004       1.986272  
1 1 1 -3  27 5  o 149.1845 2.279712  224.8539       6.801954  224.5754       9.614707  225.1328       9.624131  -0.1853180     4.559424  
1 1 1 -3  27 6  o 59.23418 0.9520426 35.35988       1.071364  35.83530       1.327215  34.47066       1.815128  1.183949       1.904085  
1 1 1 -3  27 7  o 55.15983 0.7528186 29.88129       0.8207688 26.85662       1.065709  34.29098       1.286778  -6.727242      1.505637  
1 1 1 -3  27 8  o 73.49557 0.8905089 54.06835       1.308469  55.27599       1.882575  52.93975       1.819925  1.585434       1.781018  
1 1 1 -3  27 9  o 43.41702 0.7011670 18.84981       0.6084586 19.81205       0.8751388 17.94940       0.8465539 2.143631       1.402334  
1 1 1 -3  27 10 o 50.76157 0.7303842 25.79093       0.7413868 26.45962       1.056121  25.14124       1.041001  1.297775       1.460768  
1 1 1 -3  27 11 o 83.97179 0.9857067 70.48416       1.652671  73.66245       2.424187  67.72424       2.259005  3.523285       1.971413  
1 1 1 -3  27 12 o 34.98281 0.6955064 12.03956       0.4817881 14.67628       0.7341629 10.04515       0.6385098 6.613838       1.391013  
1 1 1 -3  27 13 o 33.52290 0.6876036 11.20527       0.4599474 10.60211       0.6250525 11.91757       0.6792499 -1.958965      1.375207  
1 1 1 -3  27 14 o 43.05117 0.7081623 18.55075       0.6096530 18.88985       0.8712748 18.22545       0.8533631 0.7705688      1.416325  
1 1 1 -3  27 15 o 90.37361 1.044930  81.89211       1.888682  82.00860       2.672523  81.77587       2.669478  0.1284866      2.089861  
1 1 1 -3  27 16 o 45.89934 0.7204978 20.87391       0.6577532 18.95235       0.8763368 23.35312       0.9954050 -4.786209      1.440996  
1 1 1 -3  27 17 o 83.19090 0.9825491 69.15926       1.630937  66.26211       2.216132  72.58233       2.408894  -3.780708      1.965098  
1 1 1 -3  27 18 o 88.00096 1.446634  77.89699       2.546055  78.46199       3.613475  77.33993       3.587990  0.6338425      2.893268  
1 1 1 -3  27 19 o 35.09834 0.7074872 12.32458       0.4963515 11.79043       0.6904077 12.89600       0.7140847 -1.573223      1.414974  
1 1 1 -3  27 20 o 34.75937 0.7248470 12.04892       0.5025355 10.90563       0.6877648 13.35848       0.7360774 -3.524643      1.449694  
1 1 1 -3  27 21 o 85.50423 1.439648  73.56544       2.461617  73.97291       3.512788  73.17228       3.450551  0.4585114      2.879295  
1 1 1 -3  27 22 o 25.70704 0.7912459 6.610059       0.4064537 6.305830       0.5613557 6.945313       0.5892855 -1.241299      1.582492  
1 1 1 -3  27 23 o 77.11190 0.9367594 59.62968       1.444599  60.15237       2.058266  59.12225       2.028014  0.6646118      1.873519  
1 1 1 -3  27 24 o 87.06114 1.025663  76.06684       1.785773  75.51295       2.507025  76.63734       2.544318  -0.6410294     2.051325  
1 1 1 -3  27 25 o 127.6425 1.407739  163.7682       3.587929  169.7838       5.257399  158.5240       4.908724  4.347321       2.815477  
1 1 1 -3  27 26 f 54.04462 0.7809470 29.12556       0.8416798 27.32838       1.138663  31.29034       1.249701  -3.653816      1.561894  
1 1 1 -3  27 27 o 40.87188 0.7401040 16.60072       0.6024501 18.49020       0.9017599 15.07753       0.8096499 4.165543       1.480208  
1 1 1 -3  27 28 o 82.76521 0.9951687 68.73645       1.646748  67.49906       2.292711  70.05505       2.366761  -1.533745      1.990337  
1 1 1 -3  27 29 o 49.65501 0.7715187 24.69643       0.7658754 25.48904       1.102197  23.95644       1.064984  1.539055       1.543037  
1 1 1 -3  27 30 o 71.81224 0.9070491 51.73183       1.302360  52.38929       1.868951  51.11120       1.815829  0.8827209      1.814098  
1 1 1 -3  27 31 o 51.65023 1.149569  26.83283       1.186282  25.21483       1.662835  28.50981       1.692881  -3.184170      2.299137  
1 1 1 -3  27 32 f 14.75033 1.951806  2.158537       0.5536940 3.648484       0.8707610 1.147165       0.7174124 8.457753       3.903613  
1 1 1 -3  27 33 f 65.04622 0.8656557 42.47303       1.125978  41.64330       1.593196  43.30105       1.591553  -1.274529      1.731311  
1 1 1 -3  27 34 o 32.96757 0.7692320 10.80995       0.5039736 11.68584       0.7666979 10.14355       0.6687523 2.325686       1.538464  
1 1 1 -3  27 35 o 40.43755 0.7747888 16.42799       0.6251481 15.12404       0.8834836 17.73554       0.8847035 -3.228882      1.549578  
1 1 1 -3  27 36 o 49.82513 0.7971104 24.90799       0.7934775 25.04103       1.150358  24.78724       1.095914  0.2460747      1.594221  
1 1 1 -3  27 37 o 31.31581 0.8480281 9.841926       0.5308807 9.425052       0.7417700 10.27969       0.7601240 -1.361347      1.696056  
1 1 1 -3  27 38 o 33.39149 0.9420916 10.99128       0.6131886 10.28870       0.7738177 12.17699       1.005267  -2.778748      1.884183  
1 1 1 -3  27 39 o 56.43576 1.011564  31.56642       1.085992  30.52661       1.332679  33.62177       1.873660  -2.621830      2.023128  
1 1 1 -3  27 40 o 8.254763 1.961268  0.6127926      0.4058804 0.9776759      0.5690350 0.2348866      0.5791005 2.798380       3.922535  
1 1 1 -3  27 41 o 21.96963 1.240604  4.765556       0.5387081 5.779991       0.8394563 4.055280       0.7024243 3.882425       2.481208  
1 1 1 -3  27 42 o 36.15993 1.071370  13.19397       0.7739033 12.70192       1.106890  13.66454       1.082448  -1.337452      2.142740  
1 1 1 -3  27 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  28 1  o 92.88063 1.312860  84.34737       2.228588  81.21149       2.635659  92.21301       4.174226  -5.755150      2.625720  
1 1 1 -3  28 2  o 86.48312 1.009202  74.78925       1.742225  72.16749       2.376672  77.83450       2.561448  -3.260719      2.018404  
1 1 1 -3  28 3  o 60.65440 0.7973154 36.76045       0.9655308 35.49133       1.319242  38.22446       1.416918  -2.246487      1.594631  
1 1 1 -3  28 4  o 33.22794 0.6938246 10.81886       0.4561639 9.264198       0.5969375 13.00102       0.7072192 -5.616549      1.387649  
1 1 1 -3  28 5  o 81.82500 0.9664340 67.10337       1.581532  67.07027       2.228740  67.13693       2.244593  -0.3942871E-01 1.932868  
1 1 1 -3  28 6  o 12.57848 1.215872  1.662775       0.2876536 1.968912       0.3871735 1.285592       0.4297582 2.874220       2.431745  
1 1 1 -3  28 7  f 65.02338 0.8278669 42.35235       1.076548  42.42755       1.514850  42.27562       1.530204  0.1179352      1.655734  
1 1 1 -3  28 8  o 86.75943 1.009827  75.11456       1.746024  71.57114       2.352617  79.45952       2.605150  -4.523613      2.019655  
1 1 1 -3  28 9  o 34.45010 0.6973191 11.78838       0.4781028 10.96765       0.6386584 12.83467       0.7211024 -2.704563      1.394638  
1 1 1 -3  28 10 o 52.71931 0.7470074 27.79769       0.7871124 28.91196       1.138143  26.77621       1.089725  2.022247       1.494015  
1 1 1 -3  28 11 o 28.34119 0.7273993 8.047404       0.4102007 9.149160       0.5889315 7.009266       0.5716759 3.774044       1.454799  
1 1 1 -3  28 12 o 29.63397 0.7209437 8.721375       0.4250427 7.598099       0.5746484 10.07824       0.6315793 -4.180576      1.441887  
1 1 1 -3  28 13 o 28.47253 0.7382796 7.936574       0.4153074 6.555088       0.5449091 9.851295       0.6415104 -5.781132      1.476559  
1 1 1 -3  28 14 o 89.23954 1.040341  79.88842       1.856766  79.46894       2.617503  80.31331       2.634304  -0.4712677     2.080683  
1 1 1 -3  28 15 o 46.39985 2.243071  0.000000       0.000000  ?              ?         21.69031       2.081563  ?              ?         
1 1 1 -3  28 16 o 49.76434 1.076224  24.83229       1.070739  25.69106       1.538479  24.02556       1.491136  1.667961       2.152449  
1 1 1 -3  28 17 o 60.84302 0.8104926 37.09241       0.9861803 36.95802       1.385028  37.23061       1.404515  -0.2222786     1.620985  
1 1 1 -3  28 18 o 36.74241 0.7219254 13.47537       0.5291671 14.89910       0.7718793 12.21288       0.7268588 3.651783       1.443851  
1 1 1 -3  28 19 o 61.96078 0.8218243 38.30469       1.015748  40.88161       1.504618  36.14687       1.376840  3.808380       1.643649  
1 1 1 -3  28 20 o 72.69579 0.9028572 52.90873       1.311212  54.77506       1.910153  51.24566       1.803138  2.415703       1.805714  
1 1 1 -3  28 21 o 29.67270 0.7535434 8.823119       0.4471280 8.794496       0.6372374 8.850880       0.6275430 -0.9593964E-01 1.507087  
1 1 1 -3  28 22 o 72.16597 0.9038014 51.95667       1.299745  49.10288       1.749645  55.47072       1.941528  -4.389046      1.807603  
1 1 1 -3  28 23 o 81.12683 0.9776973 66.02942       1.585913  64.96184       2.211406  67.15990       2.275611  -1.346222      1.955395  
1 1 1 -3  28 24 o 74.69556 0.9246294 55.94319       1.380767  57.22182       1.987222  54.74971       1.919917  1.646271       1.849259  
1 1 1 -3  28 25 o 24.60394 0.8223545 6.056848       0.4038340 6.631025       0.5848430 5.533613       0.5582964 2.227064       1.644709  
1 1 1 -3  28 26 o 53.23699 0.7814539 28.41255       0.8320113 28.77252       1.179636  28.05622       1.173670  0.6720695      1.562908  
1 1 1 -3  28 27 o 51.59917 0.7823577 26.66141       0.8068867 25.74869       1.117857  27.65423       1.165878  -1.840923      1.564715  
1 1 1 -3  28 28 o 33.36174 1.188523  11.20078       0.7926812 10.77620       1.116600  11.63216       1.125494  -1.281170      2.377046  
1 1 1 -3  28 29 o 37.12125 1.169994  13.82219       0.8664670 12.53810       1.190205  15.27011       1.263847  -3.665195      2.339988  
1 1 1 -3  28 30 o 45.88466 0.7580456 21.05537       0.6937274 21.86911       1.027105  20.37273       0.9407324 1.619061       1.516091  
1 1 1 -3  28 31 o 12.33993 1.396870  1.470960       0.3235137 2.279418       0.5253562 0.9771158      0.4106007 5.401238       2.793740  
1 1 1 -3  28 32 o 42.22269 0.7605078 17.90014       0.6411896 17.47479       0.9267262 18.29073       0.8880668 -0.9715652     1.521016  
1 1 1 -3  28 33 o 19.81990 0.9752836 3.936606       0.3825060 4.030012       0.5881841 3.868155       0.5035207 0.3924370      1.950567  
1 1 1 -3  28 34 o 39.09613 0.7707601 15.35971       0.5999467 15.07650       0.8873010 15.59823       0.8142975 -0.6784439     1.541520  
1 1 1 -3  28 35 o 99.27406 1.157040  99.34629       2.297168  98.93398       3.260817  99.75251       3.236688  -0.4181671     2.314081  
1 1 1 -3  28 36 o 73.42578 0.9367465 54.19688       1.375394  52.85592       1.928629  55.58464       1.962002  -1.851189      1.873493  
1 1 1 -3  28 37 o 31.98326 0.8182262 10.30440       0.5210887 9.873729       0.7640578 10.67890       0.7125016 -1.268126      1.636452  
1 1 1 -3  28 38 o 53.91241 0.8271751 29.11031       0.8904197 27.01061       1.224150  31.46932       1.297539  -4.120895      1.654350  
1 1 1 -3  28 39 f 38.51592 0.8835036 14.98601       0.6663059 14.56947       1.047769  15.26883       0.8633723 -0.9486656     1.767007  
1 1 1 -3  28 40 o 13.51752 1.891767  1.939349       0.4903553 1.891266       0.7394096 1.977097       0.6551456 -0.3940878     3.783533  
1 1 1 -3  28 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  29 1  f 54.14421 0.7586868 29.28047       0.8203583 31.08934       1.199557  27.69113       1.124409  3.132179       1.517374  
1 1 1 -3  29 2  o 26.57205 0.7426012 6.924706       0.3896002 5.610660       0.5137883 8.702554       0.5976214 -5.811489      1.485202  
1 1 1 -3  29 3  o 16.08866 1.006375  2.624872       0.3106644 3.629477       0.4532707 1.734887       0.4266302 5.885281       2.012750  
1 1 1 -3  29 4  o 47.16418 0.7250220 22.17098       0.6819846 20.86721       0.9231650 23.73735       1.011871  -3.035984      1.450044  
1 1 1 -3  29 5  o 73.52235 0.9015399 53.61644       1.315816  49.79523       1.737004  58.76177       2.015616  -6.071518      1.803080  
1 1 1 -3  29 6  o 117.5282 1.302171  138.8225       3.060795  138.5755       4.316062  139.0724       4.341283  -0.2079773     2.604341  
1 1 1 -3  29 7  o 68.10284 0.8572611 46.01715       1.159500  42.77713       1.533646  50.34018       1.771518  -5.531174      1.714522  
1 1 1 -3  29 8  o 13.04665 1.152035  1.710344       0.3003266 1.753493       0.4193635 1.664914       0.4302996 0.3408051      2.304071  
1 1 1 -3  29 9  o 44.86315 0.7194927 20.12893       0.6447656 19.60175       0.8857030 20.72327       0.9404281 -1.245712      1.438985  
1 1 1 -3  29 10 o 93.11789 1.071535  86.85761       1.993059  90.06101       2.909003  84.02359       2.736154  3.221649       2.143070  
1 1 1 -3  29 11 o 71.56236 0.8878846 51.27047       1.269552  49.87299       1.749345  52.82552       1.845333  -2.053444      1.775769  
1 1 1 -3  29 12 o 37.90665 1.000988  14.20231       0.7532277 12.38391       0.9987159 16.60110       1.147078  -5.545723      2.001977  
1 1 1 -3  29 13 o 29.76780 0.7389103 8.872304       0.4396929 8.734126       0.6104231 9.021302       0.6338793 -0.4803448     1.477821  
1 1 1 -3  29 14 o 47.21306 0.7377551 21.87420       0.6891115 19.18340       0.8984472 25.71911       1.073979  -6.906055      1.475510  
1 1 1 -3  29 15 o 77.78526 0.9420173 60.69144       1.465482  60.71943       2.067537  60.66319       2.077509  0.3730774E-01  1.884035  
1 1 1 -3  29 16 o 29.97606 0.7474513 8.932940       0.4454171 10.44357       0.6600949 7.670118       0.6035286 4.620810       1.494903  
1 1 1 -3  29 17 o 60.06206 0.8066671 36.10927       0.9682897 37.59651       1.402025  34.75295       1.338892  2.360573       1.613334  
1 1 1 -3  29 18 o 19.91546 0.8980924 3.962810       0.3565715 4.439473       0.5208591 3.542387       0.4891681 2.248447       1.796185  
1 1 1 -3  29 19 o 30.37650 0.7396485 9.244914       0.4490849 9.295397       0.6472890 9.198062       0.6235785 0.1578369      1.479297  
1 1 1 -3  29 20 f 61.65001 0.8270145 38.05499       1.018912  36.78448       1.407352  39.45456       1.477094  -2.157623      1.654029  
1 1 1 -3  29 21 o 50.32615 0.7638465 25.30224       0.7674130 24.01914       1.047200  26.79060       1.127855  -2.744835      1.527693  
1 1 1 -3  29 22 o 89.64090 1.051476  80.71909       1.885082  80.60485       2.658554  80.83463       2.673325  -0.1259079     2.102952  
1 1 1 -3  29 23 o 39.42061 0.7298165 15.57213       0.5753586 15.79317       0.8189049 15.35663       0.8085537 0.5525856      1.459633  
1 1 1 -3  29 24 o 68.55167 0.9608130 47.03596       1.297832  47.99647       2.025625  46.36710       1.690357  1.140060       1.921626  
1 1 1 -3  29 25 o 69.17953 1.280204  48.21541       1.771224  47.78667       2.505080  48.64402       2.504697  -0.6197433     2.560408  
1 1 1 -3  29 26 o 30.55768 1.010736  9.054580       0.5667466 8.592681       0.6704017 10.21152       1.061006  -2.581785      2.021471  
1 1 1 -3  29 27 o 37.17054 0.7610230 13.80970       0.5647767 12.85866       0.7742466 14.89123       0.8256600 -2.727222      1.522046  
1 1 1 -3  29 28 o 64.11665 0.8599730 41.25600       1.102693  40.82463       1.548156  41.70019       1.570980  -0.6793289     1.719946  
1 1 1 -3  29 29 o 15.37976 1.193903  2.412041       0.3612837 1.935247       0.5145971 2.875490       0.5073446 -3.058290      2.387806  
1 1 1 -3  29 30 o 61.23848 0.8372154 37.64640       1.025243  37.35410       1.459062  37.93147       1.440934  -0.4742851     1.674431  
1 1 1 -3  29 31 o 29.61820 0.7950968 8.751856       0.4679662 9.241414       0.7102798 8.376348       0.6220668 1.446440       1.590194  
1 1 1 -3  29 32 o 27.70833 0.8042784 7.702396       0.4433841 7.741357       0.6624107 7.670773       0.5967904 0.1166706      1.608557  
1 1 1 -3  29 33 o 23.97699 0.8870308 5.740086       0.4235785 6.177662       0.6356131 5.390511       0.5681148 1.628183       1.774062  
1 1 1 -3  29 34 o 106.2033 1.220246  113.6414       2.589000  109.8161       3.560232  117.9346       3.771711  -3.765236      2.440492  
1 1 1 -3  29 35 o 43.75191 0.7815864 18.99356       0.6773593 20.78843       1.048619  17.70838       0.8873201 3.491299       1.563173  
1 1 1 -3  29 36 o 63.07476 0.8745340 39.96575       1.102109  40.51570       1.599426  39.46856       1.520781  0.8136139      1.749068  
1 1 1 -3  29 37 o 29.55299 0.8504376 8.840652       0.4985996 8.157465       0.7351745 9.422539       0.6784850 -2.152439      1.700875  
1 1 1 -3  29 38 f 50.95501 1.112025  26.18734       1.133170  26.06263       1.610690  26.30955       1.594520  -0.2466812     2.224051  
1 1 1 -3  29 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  30 1  o 60.13834 1.007931  34.74068       1.087101  32.94127       1.265493  39.80761       2.123576  -5.606178      2.015862  
1 1 1 -3  30 2  o 45.00535 1.044569  20.33016       0.9399260 21.01123       1.334510  19.65970       1.324064  1.500210       2.089138  
1 1 1 -3  30 3  o 46.67207 1.064748  21.78896       0.9918969 23.74173       1.449459  20.06906       1.360291  3.923130       2.129496  
1 1 1 -3  30 4  o 39.26631 0.9412827 15.33260       0.7265814 16.16552       1.150886  14.78063       0.9368964 1.739128       1.882565  
1 1 1 -3  30 5  o 109.1846 1.325123  120.1954       2.873255  117.6112       4.301696  122.2769       3.860764  -2.207542      2.650247  
1 1 1 -3  30 6  o 123.0091 1.357383  152.2117       3.338133  149.9203       4.644564  154.6601       4.800987  -1.900528      2.714766  
1 1 1 -3  30 7  o 52.28274 0.7553205 27.38232       0.7895688 27.10820       1.101061  27.67249       1.132856  -0.5366707     1.510641  
1 1 1 -3  30 8  o 74.55985 0.9158041 55.71490       1.365015  57.14375       1.967335  54.38849       1.895513  1.839417       1.831608  
1 1 1 -3  30 9  o 12.82592 1.690323  1.756300       0.4143191 2.151900       0.5610438 1.281778       0.6144647 3.589878       3.380646  
1 1 1 -3  30 10 f 18.24966 0.9262279 3.238533       0.3314265 2.491049       0.4314010 4.315149       0.5177388 -4.987333      1.852456  
1 1 1 -3  30 11 o 62.00314 0.8187656 38.51997       1.014815  37.94360       1.409095  39.14105       1.462737  -0.9598427     1.637531  
1 1 1 -3  30 12 o 50.87334 0.7535673 25.80713       0.7646204 24.20062       1.035570  27.73276       1.133763  -3.461597      1.507135  
1 1 1 -3  30 13 o 56.51588 0.7875519 32.01184       0.8899285 31.84126       1.242287  32.19165       1.275467  -0.3064613     1.575104  
1 1 1 -3  30 14 o 100.6807 1.146970  101.8791       2.309554  101.9688       3.265541  101.7894       3.266864  0.8924866E-01  2.293940  
1 1 1 -3  30 15 o 55.91859 0.7861201 31.33410       0.8788684 30.99499       1.224233  31.69473       1.262464  -0.6215553     1.572240  
1 1 1 -3  30 16 o 37.18383 0.7273627 13.84262       0.5405354 13.53756       0.7475607 14.17687       0.7825007 -0.8561096     1.454725  
1 1 1 -3  30 17 o 36.43482 0.7290308 13.25301       0.5301942 12.26870       0.7256022 14.38058       0.7766095 -2.892818      1.458062  
1 1 1 -3  30 18 o 51.27943 0.7652951 26.35571       0.7848188 26.05067       1.101711  26.66998       1.118277  -0.6020050     1.530590  
1 1 1 -3  30 19 f 90.51715 1.059681  82.15150       1.915460  79.50764       2.622804  85.17327       2.804003  -3.101372      2.119361  
1 1 1 -3  30 20 o 66.60454 0.8703890 44.40285       1.157948  46.56322       1.690707  42.49416       1.589177  3.041283       1.740778  
1 1 1 -3  30 21 o 43.84182 1.107584  19.29931       0.9704029 20.05863       1.406777  18.61001       1.340346  1.640347       2.215167  
1 1 1 -3  30 22 f 57.35683 1.181413  32.67537       1.344992  36.83237       2.062815  29.60120       1.773919  6.245918       2.362827  
1 1 1 -3  30 23 o 26.85851 0.8190600 7.200522       0.4387639 7.951581       0.6460335 6.557460       0.5977833 2.588392       1.638120  
1 1 1 -3  30 24 o 45.78148 0.7553074 21.01599       0.6915220 21.24854       0.9859288 20.79081       0.9701812 0.4978142      1.510615  
1 1 1 -3  30 25 o 6.606068 1.744671  0.3095196      0.3206830 0.9059110E-01  0.4636839 0.5102423      0.4439858 -1.532656      3.489341  
1 1 1 -3  30 26 o 63.94274 0.8572578 40.88052       1.093775  38.74400       1.486272  43.40458       1.615452  -3.624218      1.714516  
1 1 1 -3  30 27 o 58.46286 0.8266220 34.27956       0.9661105 33.46686       1.342187  35.15338       1.391732  -1.434586      1.653244  
1 1 1 -3  30 28 o 46.82305 0.7811601 21.97270       0.7309314 21.37515       1.009191  22.63203       1.060071  -1.334270      1.562320  
1 1 1 -3  30 29 o 101.8528 1.176303  104.5536       2.396081  103.9617       3.368799  105.1597       3.408696  -0.5786362     2.352606  
1 1 1 -3  30 30 o 90.40305 1.070671  82.29683       1.935469  82.80788       2.767854  81.80783       2.707479  0.5389557      2.141342  
1 1 1 -3  30 31 o 80.26088 0.9853116 64.81137       1.581593  64.20609       2.235696  65.41775       2.237726  -0.7543793     1.970623  
1 1 1 -3  30 32 o 57.73626 0.8269325 33.40968       0.9530740 34.54758       1.399913  32.42661       1.301195  1.818565       1.653865  
1 1 1 -3  30 33 o 61.76346 0.8555822 38.20372       1.055092  35.65941       1.446113  41.09974       1.542830  -4.384880      1.711164  
1 1 1 -3  30 34 o 16.89061 1.136097  2.905798       0.3766724 2.725069       0.5814160 3.036517       0.4944732 -0.9463196     2.272193  
1 1 1 -3  30 35 f 29.43021 0.8355139 8.719938       0.4884643 8.557342       0.7309121 8.851163       0.6566288 -0.5144997     1.671028  
1 1 1 -3  30 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  31 1  o 74.84171 0.9171095 56.16257       1.372054  55.25229       1.904346  57.14516       1.978533  -1.255295      1.834219  
1 1 1 -3  31 2  o 68.51262 0.8682724 47.07644       1.189746  47.28239       1.683428  46.87093       1.681683  0.3000793      1.736545  
1 1 1 -3  31 3  f 96.72069 1.110127  93.90527       2.145821  91.83004       2.966020  96.18433       3.108275  -2.229385      2.220254  
1 1 1 -3  31 4  o 32.82626 1.065547  10.81297       0.6991228 11.35908       1.004459  10.29983       0.9736775 1.608925       2.131093  
1 1 1 -3  31 5  f 56.25546 0.7874849 31.67115       0.8849877 30.69782       1.216599  32.76501       1.289724  -1.829426      1.574970  
1 1 1 -3  31 6  o 16.03542 1.036653  2.588338       0.3315476 2.782018       0.4658980 2.389620       0.4719181 1.224397       2.073307  
1 1 1 -3  31 7  o 116.5290 1.300240  136.6277       3.029047  134.5639       4.211728  138.8390       4.359532  -1.807632      2.600480  
1 1 1 -3  31 8  o 65.05228 1.055596  41.86464       1.268261  40.87220       1.516542  44.17342       2.313098  -2.420792      2.111193  
1 1 1 -3  31 9  o 60.40247 1.158519  36.55835       1.396516  34.88397       1.900064  38.52551       2.059501  -2.988060      2.317039  
1 1 1 -3  31 10 o 43.39003 1.035209  18.62059       0.8899900 16.88325       1.165471  21.05086       1.378434  -4.770615      2.070419  
1 1 1 -3  31 11 f 88.58549 1.482919  79.14277       2.625956  77.93357       3.645281  80.44716       3.786044  -1.388313      2.965839  
1 1 1 -3  31 12 o 105.5966 1.470643  112.4629       2.927686  112.6254       5.069726  112.3816       3.586083  -0.1990051     2.941286  
1 1 1 -3  31 13 o 37.53901 0.8067716 14.13664       0.5984380 14.08568       0.9194331 14.17410       0.7882658 -0.1332626     1.613543  
1 1 1 -3  31 14 o 63.64393 0.8392648 40.40738       1.064978  43.43641       1.584137  37.90944       1.438575  4.323883       1.678530  
1 1 1 -3  31 15 o 12.01497 1.362782  1.482928       0.3186005 1.597914       0.4430208 1.359756       0.4585169 1.167219       2.725564  
1 1 1 -3  31 16 o 46.71321 0.7555168 21.71282       0.7029242 20.07979       0.9431926 23.75293       1.054218  -3.918118      1.511034  
1 1 1 -3  31 17 o 58.36758 1.157277  34.01480       1.344923  31.48876       1.801075  37.19876       2.022068  -4.848526      2.314555  
1 1 1 -3  31 18 o 43.82835 1.087386  19.27568       0.9520450 18.31760       1.309328  20.35049       1.386799  -2.304539      2.174771  
1 1 1 -3  31 19 o 47.37712 0.7771214 22.35991       0.7333456 20.87431       0.9841625 24.21455       1.099633  -3.509369      1.554243  
1 1 1 -3  31 20 o 26.08829 0.8148618 6.829263       0.4250871 6.672493       0.6008570 6.986356       0.6014715 -0.6014557     1.629724  
1 1 1 -3  31 21 o 52.58623 0.7870921 27.60789       0.8256148 29.57975       1.223115  25.95742       1.119009  3.429653       1.574184  
1 1 1 -3  31 22 o 86.77000 1.035640  75.65121       1.796367  77.29567       2.590225  74.12737       2.493431  1.807571       2.071279  
1 1 1 -3  31 23 o 91.15422 1.076638  83.60231       1.962799  83.65071       2.778726  83.55411       2.772918  0.5181885E-01  2.153277  
1 1 1 -3  31 24 f 21.52594 0.9469827 4.654943       0.4076103 4.744515       0.5836936 4.569684       0.5694656 0.4034557      1.893965  
1 1 1 -3  31 25 o 34.82906 0.7809551 12.09139       0.5414142 10.57202       0.7358096 13.88517       0.7995002 -4.746387      1.561910  
1 1 1 -3  31 26 o 8.023991 1.766402  0.6367192      0.3272126 0.3664536      0.4697652 0.8914196      0.4560372 -2.348573      3.532804  
1 1 1 -3  31 27 o 28.51200 0.8268278 8.157567       0.4712973 7.888101       0.6559601 8.445103       0.6775963 -0.9728165     1.653656  
1 1 1 -3  31 28 o 42.03060 0.7835335 17.73575       0.6585648 17.93477       0.9276626 17.53354       0.9350843 0.4785957      1.567067  
1 1 1 -3  31 29 o 24.52890 0.8999090 6.047180       0.4414616 6.076034       0.6273228 6.018872       0.6213619 0.1153221      1.799818  
1 1 1 -3  31 30 o 55.40358 0.8171060 30.78240       0.9040373 31.65409       1.322188  30.01710       1.238878  1.461533       1.634212  
1 1 1 -3  31 31 o 43.47659 0.7791905 18.99578       0.6761637 18.74998       0.9845205 19.21524       0.9302642 -0.5454483     1.558381  
1 1 1 -3  31 32 f 21.88717 0.9494643 4.687685       0.4098251 5.779973       0.6452635 3.949156       0.5305822 4.155100       1.898929  
1 1 1 -3  31 33 o 17.96090 1.439243  3.464044       0.4856757 2.525038       0.7605566 4.110617       0.6311115 -4.457331      2.878485  
1 1 1 -3  31 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  32 1  o 42.06587 0.7314563 17.72286       0.6149942 17.38573       0.8517170 18.09011       0.8889431 -0.8330803     1.462913  
1 1 1 -3  32 2  o 108.4291 1.223786  118.0206       2.648254  113.8917       3.606929  122.8494       3.900690  -4.075859      2.447572  
1 1 1 -3  32 3  f 42.60948 0.7321404 18.19996       0.6235236 18.26099       0.8672237 18.13465       0.8971274 0.1515999      1.464281  
1 1 1 -3  32 4  o 35.18873 0.7348960 12.17273       0.5120993 10.63939       0.6704389 14.32027       0.7934346 -5.216286      1.469792  
1 1 1 -3  32 5  o 31.60340 0.7478811 10.02060       0.4721526 10.57158       0.6672673 9.468105       0.6681828 1.745914       1.495762  
1 1 1 -3  32 6  o 33.44767 0.7390436 11.19697       0.4937808 10.87811       0.6783636 11.55631       0.7201294 -1.008972      1.478087  
1 1 1 -3  32 7  o 47.95522 0.7489257 23.05581       0.7182512 23.10391       1.010600  23.00672       1.021001  0.1025810      1.497851  
1 1 1 -3  32 8  o 95.56876 1.105023  91.73817       2.110140  89.46766       2.909384  94.25819       3.065076  -2.478325      2.210046  
1 1 1 -3  32 9  o 36.85304 0.7322308 13.49804       0.5370499 12.45285       0.7173986 14.83052       0.8100135 -3.214603      1.464462  
1 1 1 -3  32 10 o 48.82789 0.7589029 23.62561       0.7362878 21.46567       0.9757966 26.48115       1.121976  -5.117039      1.517806  
1 1 1 -3  32 11 o 30.84623 0.7613496 9.516353       0.4690504 9.029243       0.6434615 10.06867       0.6851770 -1.679356      1.522699  
1 1 1 -3  32 12 o 52.79018 0.9399635 28.13250       0.9468073 27.50757       1.590111  28.47577       1.178495  -0.9838295     1.879927  
1 1 1 -3  32 13 o 32.13677 1.076911  10.38538       0.6916448 10.33783       0.9586584 10.43701       0.9988458 -0.1466866     2.153821  
1 1 1 -3  32 14 o 15.85393 1.727171  2.634639       0.5235332 3.045412       0.7169114 2.165279       0.7663326 3.010315       3.454343  
1 1 1 -3  32 15 o 63.02225 0.8503706 39.71801       1.069821  42.33355       1.572423  37.46385       1.459761  3.846558       1.700741  
1 1 1 -3  32 16 o 73.06532 0.9208442 53.53284       1.344237  51.94485       1.850402  55.30741       1.956072  -2.283775      1.841688  
1 1 1 -3  32 17 o 17.08075 1.221997  2.710491       0.3985651 2.206266       0.4835391 3.779096       0.7039275 -4.555185      2.443994  
1 1 1 -3  32 18 o 39.99973 0.9489194 15.94698       0.7435492 15.46358       0.9528424 16.69972       1.189023  -1.503677      1.897839  
1 1 1 -3  32 19 f 8.929983 2.027794  0.7906936      0.4119579 0.9192815      0.5986204 0.6750080      0.5677940 1.055436       4.055588  
1 1 1 -3  32 20 o 43.99883 1.047267  19.38297       0.9193121 21.14982       1.354652  17.87458       1.251655  3.700626       2.094533  
1 1 1 -3  32 21 o 50.36673 1.078755  25.52789       1.086468  26.21534       1.549714  24.86340       1.523615  1.336472       2.157510  
1 1 1 -3  32 22 o 49.88282 1.076641  24.76530       1.067946  28.11105       1.615305  22.16718       1.423432  5.915298       2.153282  
1 1 1 -3  32 23 o 39.54039 1.023467  15.69774       0.8082377 15.01587       1.107842  16.47366       1.181778  -1.826778      2.046933  
1 1 1 -3  32 24 o 70.65173 1.175238  49.42941       1.610068  54.04533       2.670670  46.79383       2.018035  4.961250       2.350476  
1 1 1 -3  32 25 o 30.36116 0.9442098 9.266178       0.5560407 9.282033       0.9043087 9.256540       0.7050796 0.7915497E-03  1.888420  
1 1 1 -3  32 26 o 40.16543 0.8486691 16.06404       0.6719480 17.02842       1.055425  15.40670       0.8713654 1.983395       1.697338  
1 1 1 -3  32 27 o 74.87219 0.9631390 56.38025       1.441931  55.11796       2.014511  57.70638       2.064817  -1.717148      1.926278  
1 1 1 -3  32 28 o 11.89464 1.614240  1.466144       0.3739261 1.886051       0.5458299 1.094808       0.5132914 3.485872       3.228480  
1 1 1 -3  32 29 o 27.22197 0.8783973 7.420694       0.4772694 8.008465       0.7011105 6.913107       0.6515344 2.001030       1.756795  
1 1 1 -3  32 30 o 68.21629 1.071296  46.90628       1.461179  46.80385       2.090269  47.00416       2.043368  -0.1591034     2.142592  
1 1 1 -3  32 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  33 1  o 110.7913 1.248424  123.6477       2.765150  121.9109       3.845641  125.5068       3.978783  -1.593506      2.496848  
1 1 1 -3  33 2  o 91.04823 1.065681  83.31126       1.939428  81.81187       2.688295  84.93865       2.800688  -1.695961      2.131362  
1 1 1 -3  33 3  o 94.01514 1.090316  88.78456       2.047700  86.42032       2.814871  91.44203       2.984324  -2.638062      2.180632  
1 1 1 -3  33 4  o 72.50845 0.9089158 52.79106       1.317972  52.73543       1.851529  52.84820       1.876509  -0.7375336E-01 1.817832  
1 1 1 -3  33 5  o 19.80934 0.9240221 3.959410       0.3641419 4.181287       0.4993559 3.707428       0.5321564 1.201387       1.848044  
1 1 1 -3  33 6  o 54.91279 0.7863536 30.23242       0.8631670 29.80519       1.198213  30.69331       1.244508  -0.8022194     1.572707  
1 1 1 -3  33 7  o 23.71459 1.012729  5.140691       0.4548237 7.396354       0.8216451 4.144149       0.5461286 6.807022       2.025458  
1 1 1 -3  33 8  o 45.69450 1.041772  20.97602       0.9512311 20.57850       1.313259  21.41476       1.379686  -0.9026833     2.083544  
1 1 1 -3  33 9  o 40.79672 1.035540  16.44883       0.8373315 14.57199       1.098846  19.04768       1.293045  -5.449017      2.071079  
1 1 1 -3  33 10 f 53.86941 0.9641463 28.29724       0.9558704 27.04528       1.134795  31.35523       1.773533  -3.888882      1.928293  
1 1 1 -3  33 11 o 52.47990 0.7787201 27.59865       0.8168835 28.77906       1.177360  26.50293       1.134336  2.162342       1.557440  
1 1 1 -3  33 12 o 60.69150 0.8302581 36.80239       1.005231  39.39014       1.487766  34.62868       1.363562  3.903084       1.660516  
1 1 1 -3  33 13 o 47.64295 0.7654662 22.77147       0.7293721 22.75689       1.028743  22.78621       1.034255  -0.2995300E-01 1.530932  
1 1 1 -3  33 14 o 43.21081 0.7538515 18.70612       0.6509107 19.84278       0.9382252 17.65135       0.9037936 2.530605       1.507703  
1 1 1 -3  33 15 o 6.559290 1.720845  0.2926188      0.3149221 0.5511744      0.4492595 0.4283364E-01  0.4415742 2.010156       3.441690  
1 1 1 -3  33 16 o 22.35093 0.9104643 4.941159       0.4015044 3.924435       0.5353953 6.247749       0.6069358 -5.184370      1.820929  
1 1 1 -3  33 17 o 23.43925 0.8804830 5.513485       0.4125491 5.737559       0.5939407 5.304598       0.5734631 0.9198437      1.760966  
1 1 1 -3  33 18 o 32.93665 0.7834880 10.87246       0.5154985 11.64522       0.7439607 10.15878       0.7149542 2.251553       1.566976  
1 1 1 -3  33 19 o 37.22169 0.7614553 13.90755       0.5667624 14.09988       0.7983884 13.71218       0.8046954 0.5218735      1.522911  
1 1 1 -3  33 20 o 35.71010 0.7699906 12.73546       0.5482203 14.21931       0.8053131 11.45389       0.7484114 3.862377       1.539981  
1 1 1 -3  33 21 f 40.04431 0.7700431 15.89990       0.6129343 18.33055       0.9260477 14.00488       0.8176731 5.382603       1.540086  
1 1 1 -3  33 22 o 39.58620 0.7749966 15.71764       0.6132772 16.40605       0.8810720 15.07064       0.8541638 1.681969       1.549993  
1 1 1 -3  33 23 o 63.30646 0.8660831 39.74848       1.087836  44.50327       1.672520  36.26212       1.432161  6.459995       1.732166  
1 1 1 -3  33 24 o 27.66964 0.8451092 7.694583       0.4673243 7.682942       0.6738240 7.705371       0.6486852 -0.4575920E-01 1.690218  
1 1 1 -3  33 25 o 22.62478 0.9484462 5.125458       0.4274682 5.814751       0.6274689 4.528487       0.5839384 2.832205       1.896892  
1 1 1 -3  33 26 o 14.71337 1.260624  2.201926       0.3685888 1.971107       0.5305920 2.417196       0.5124100 -1.521508      2.521248  
1 1 1 -3  33 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  34 1  o 9.975062 1.790635  0.9446024      0.3677428 1.628034       0.5973625 0.5275416      0.4666489 4.931445       3.581271  
1 1 1 -3  34 2  o 42.95771 1.021755  18.48520       0.8757831 17.45256       1.189760  19.70647       1.293869  -2.602196      2.043510  
1 1 1 -3  34 3  o 94.63788 1.554644  90.67574       2.940103  93.37067       4.265424  88.23631       4.058180  2.648338       3.109288  
1 1 1 -3  34 4  o 88.31566 1.352391  78.10074       2.317631  75.98913       2.923486  81.67272       3.802322  -2.981483      2.704782  
1 1 1 -3  34 5  o 78.36098 0.9647102 61.72760       1.511866  61.70883       2.129621  61.74667       2.146683  -0.2085114E-01 1.929420  
1 1 1 -3  34 6  o 44.32430 0.7543931 19.39155       0.6631814 17.16249       0.8729663 22.43370       1.019826  -5.923939      1.508786  
1 1 1 -3  34 7  o 86.50052 1.031258  75.27631       1.784067  75.64490       2.530346  74.91196       2.515820  0.4206314      2.062516  
1 1 1 -3  34 8  o 57.02641 0.8119740 32.56805       0.9247923 31.23952       1.267604  34.07981       1.352199  -2.476273      1.623948  
1 1 1 -3  34 9  o 45.70721 0.7579151 20.90892       0.6919487 19.82955       0.9503461 22.12674       1.009453  -2.503586      1.515830  
1 1 1 -3  34 10 o 20.02887 0.9501547 4.045543       0.3794285 4.330764       0.5304624 3.746745       0.5429410 1.460480       1.900309  
1 1 1 -3  34 11 o 59.79346 0.8241157 35.57662       0.9800849 32.90973       1.304810  39.02925       1.484636  -5.084518      1.648231  
1 1 1 -3  34 12 o 59.07322 0.8235553 34.98291       0.9721156 36.69226       1.410826  33.43775       1.341361  2.741856       1.647111  
1 1 1 -3  34 13 f 52.02152 0.7872316 27.13282       0.8182952 26.39466       1.128040  27.95269       1.188841  -1.486824      1.574463  
1 1 1 -3  34 14 o 35.95654 0.7666263 12.96720       0.5509138 13.67495       0.7895236 12.29560       0.7690972 1.914619       1.533253  
1 1 1 -3  34 15 o 67.47455 0.8787372 45.67988       1.184658  44.30029       1.631396  47.21890       1.723079  -2.144943      1.757474  
1 1 1 -3  34 16 o 25.90747 0.8313202 6.738243       0.4305453 6.452714       0.6023965 7.036409       0.6155836 -1.124041      1.662640  
1 1 1 -3  34 17 o 41.16738 0.7582509 16.93053       0.6228253 18.33996       0.9186371 15.73150       0.8472978 3.155708       1.516502  
1 1 1 -3  34 18 o 24.38781 0.8842506 5.965252       0.4297989 6.696179       0.6229822 5.301361       0.5937275 2.853601       1.768501  
1 1 1 -3  34 19 o 50.49270 0.7939035 25.58993       0.8013984 26.14281       1.153680  25.07438       1.114055  1.050346       1.587807  
1 1 1 -3  34 20 o 22.33761 0.9404062 5.030722       0.4174596 4.331450       0.5840521 5.761127       0.5969119 -3.197130      1.880812  
1 1 1 -3  34 21 o 71.26678 0.9187554 51.08885       1.309487  51.48602       1.861642  50.69989       1.842298  0.5470963      1.837511  
1 1 1 -3  34 22 o 38.88353 0.8010281 15.17070       0.6226159 14.65407       0.8643536 15.72786       0.8976115 -1.374268      1.602056  
1 1 1 -3  34 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  34 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  35 1  o 27.82267 1.248094  7.795485       0.6934848 7.272350       0.9544022 8.380620       1.009376  -1.976448      2.496187  
1 1 1 -3  35 2  f 46.59925 0.9267673 21.76668       0.8621519 20.78876       1.176498  22.90095       1.267067  -2.247684      1.853535  
1 1 1 -3  35 3  o 43.94047 0.7636617 19.35952       0.6707813 20.13194       0.9656639 18.63931       0.9324630 1.692837       1.527323  
1 1 1 -3  35 4  o 60.55411 0.8314161 36.78296       1.006085  35.77352       1.388899  37.89742       1.459353  -1.740665      1.662832  
1 1 1 -3  35 5  o 33.28444 0.7644066 11.08456       0.5063275 12.72524       0.7374797 9.621582       0.6963955 4.655329       1.528813  
1 1 1 -3  35 6  f 46.53011 0.7662383 21.73287       0.7130132 21.97318       1.006729  21.49101       1.009985  0.5186920      1.532477  
1 1 1 -3  35 7  o 26.24600 0.8371970 6.902393       0.4387673 6.394303       0.6052073 7.465329       0.6370367 -2.034321      1.674394  
1 1 1 -3  35 8  o 61.21058 0.8427033 37.59459       1.030688  36.65701       1.421130  38.63503       1.497058  -1.601116      1.685407  
1 1 1 -3  35 9  o 77.14462 0.9575499 59.34224       1.468016  55.46548       1.947525  64.44348       2.234014  -5.755516      1.915100  
1 1 1 -3  35 10 o 33.71185 0.7765610 11.40648       0.5234253 11.26752       0.7295868 11.55387       0.7513639 -0.4207535     1.553122  
1 1 1 -3  35 11 o 63.18742 0.8541595 40.07980       1.078601  39.09814       1.490131  41.16016       1.563240  -1.616814      1.708319  
1 1 1 -3  35 12 o 22.59311 0.9196867 5.150723       0.4140448 5.590764       0.5810577 4.696813       0.5901437 1.980398       1.839373  
1 1 1 -3  35 13 o 28.92159 0.8187222 8.415404       0.4729278 8.778206       0.6623322 8.038031       0.6755042 1.282307       1.637444  
1 1 1 -3  35 14 o 36.53879 0.7677110 13.40505       0.5609666 13.27513       0.7864720 13.53960       0.8003637 -0.3592148     1.535422  
1 1 1 -3  35 15 o 40.86099 0.7657356 16.76633       0.6256356 16.81020       0.8762458 16.72071       0.8935735 0.1128311      1.531471  
1 1 1 -3  35 16 o 10.96591 1.581238  1.275768       0.3526373 2.117560       0.5099273 0.5042107      0.4881914 7.016618       3.162476  
1 1 1 -3  35 17 o 28.86416 0.8424513 8.367592       0.4860321 8.792582       0.6956339 7.962252       0.6793613 1.434990       1.684903  
1 1 1 -3  35 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  35 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  36 1  o 37.03557 0.7649058 13.77435       0.5658621 14.69022       0.8059734 12.88405       0.7946464 2.436291       1.529812  
1 1 1 -3  36 2  o 27.13734 0.8310186 7.401700       0.4497368 8.153829       0.6432049 6.682245       0.6290782 2.708471       1.662037  
1 1 1 -3  36 3  o 61.79508 0.8466908 38.02191       1.039663  35.43000       1.378325  41.44316       1.583558  -4.822525      1.693382  
1 1 1 -3  36 4  o 29.45303 0.8123577 8.657240       0.4733693 10.59415       0.6991272 7.017577       0.6432489 6.060583       1.624715  
1 1 1 -3  36 5  o 45.13165 0.7738657 20.44128       0.6979046 20.18391       0.9644216 20.72422       1.011213  -0.5897179     1.547731  
1 1 1 -3  36 6  o 64.22993 0.8698514 41.45350       1.117154  42.66005       1.597066  40.29746       1.563265  1.831985       1.739703  
1 1 1 -3  36 7  o 54.89678 1.013106  30.35356       1.039395  30.36036       1.262830  30.33927       1.830104  0.1570244      2.026212  
1 1 1 -3  36 8  o 42.49647 1.138026  18.19459       0.9664927 18.93713       1.400566  17.51952       1.335414  1.649776       2.276052  
1 1 1 -3  36 9  o 41.82285 1.661021  0.000000       0.000000  ?              ?         17.65995       1.389372  ?              ?         
1 1 1 -3  36 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  36 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -3  36 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  0  1  o 223.2281 4.756409  500.0598       21.18503  492.6107       29.48506  508.0091       30.45897  -0.000000      0.000000  
1 1 1 -2  0  2  o 221.3711 3.935627  493.3007       16.60540  497.8698       20.66145  484.9655       27.90598  -0.000000      0.000000  
1 1 1 -2  0  3  o 342.3170 5.041365  1174.857       34.47774  1168.353       48.34699  1181.587       49.18149  -0.000000      0.000000  
1 1 1 -2  0  4  o 148.2988 2.651979  222.0783       7.518909  214.6409       12.49384  226.3014       9.414641  -0.000000      0.000000  
1 1 1 -2  0  5  o 87.59114 1.351850  76.82159       2.365269  75.95403       3.307464  77.72968       3.383834  -0.000000      0.000000  
1 1 1 -2  0  6  o 368.7490 5.425169  1353.149       39.70248  1278.942       52.62837  1451.159       60.48308  -0.000000      0.000000  
1 1 1 -2  0  7  o 12.81019 0.5603851 1.655894       0.1421238 1.513914       0.1962239 1.812569       0.2061286 -0.000000      0.000000  
1 1 1 -2  0  8  o 274.8047 5.726247  756.8218       31.44155  756.8218       31.44155  756.8218       31.44155  -0.000000      0.000000  
1 1 1 -2  0  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  0  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  0  12 o 219.8499 4.609280  484.2377       20.24715  484.2377       20.24715  484.2377       20.24715  -0.000000      0.000000  
1 1 1 -2  0  13 o 115.3865 1.765537  131.3642       4.020334  121.5429       5.219147  145.6957       6.304666  -0.000000      0.000000  
1 1 1 -2  0  14 o 270.8988 3.996753  735.2205       21.63235  732.6866       30.42813  737.8098       30.76010  -0.000000      0.000000  
1 1 1 -2  0  15 o 302.5348 4.455477  916.4474       26.91842  901.2999       37.35122  932.8167       38.82853  -0.000000      0.000000  
1 1 1 -2  0  16 f 175.8756 2.622242  309.7672       9.213988  311.5769       13.12261  308.0074       12.94040  -0.000000      0.000000  
1 1 1 -2  0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  0  18 o 538.8853 7.933636  2857.485       83.99993  2630.920       107.7212  3208.998       134.1763  -0.000000      0.000000  
1 1 1 -2  0  19 o 385.8082 5.688538  1457.230       42.98232  1330.351       54.67855  1662.442       69.53823  -0.000000      0.000000  
1 1 1 -2  0  20 o 163.3273 2.438089  266.9649       7.951267  261.9087       11.01429  272.4677       11.49039  -0.000000      0.000000  
1 1 1 -2  0  21 o 498.8015 7.361146  2444.686       72.06120  2243.181       92.14247  2762.019       115.6310  -0.000000      0.000000  
1 1 1 -2  0  22 o 101.1715 1.563468  102.4932       3.159792  101.3416       4.425150  103.6912       4.513399  -0.000000      0.000000  
1 1 1 -2  0  23 o 483.7709 7.118287  2338.276       68.54906  2236.562       92.29350  2463.423       102.3744  -0.000000      0.000000  
1 1 1 -2  0  24 o 40.44445 1.200990  16.40620       0.9665934 15.59089       1.328839  17.32230       1.408583  -0.000000      0.000000  
1 1 1 -2  0  25 o 175.2124 2.613079  307.5095       9.147192  309.4630       13.02656  305.6094       12.84746  -0.000000      0.000000  
1 1 1 -2  0  26 f 228.2740 3.384328  522.1915       15.43556  524.2277       21.92318  520.1899       21.73637  -0.000000      0.000000  
1 1 1 -2  0  27 o 325.0556 4.793629  1058.914       31.10579  1035.710       42.91808  1084.591       45.14698  -0.000000      0.000000  
1 1 1 -2  0  28 o 168.4353 2.519181  284.2573       8.477767  283.2097       11.94557  285.3204       12.03366  -0.000000      0.000000  
1 1 1 -2  0  29 o 99.17114 1.550044  98.48712       3.070293  99.93530       4.401739  97.11492       4.284726  -0.000000      0.000000  
1 1 1 -2  0  30 o 66.43565 1.335229  44.84198       1.745196  37.17405       2.515969  51.95267       2.422826  -0.000000      0.000000  
1 1 1 -2  0  31 o 200.1045 2.976967  401.2015       11.89824  407.3604       17.09800  395.4186       16.56783  -0.000000      0.000000  
1 1 1 -2  0  32 o 8.060509 2.029106  0.8671715      0.3050222 0.7029160      0.4393925 1.019951       0.4237648 -0.000000      0.000000  
1 1 1 -2  0  33 o 98.85697 1.547063  97.88298       3.054882  98.92931       4.369896  96.88289       4.272269  -0.000000      0.000000  
1 1 1 -2  0  34 o 126.1516 1.930735  159.4160       4.865202  157.5351       6.796983  161.3921       6.967039  -0.000000      0.000000  
1 1 1 -2  0  35 o 45.19405 0.9264587 20.47887       0.8358387 20.57325       1.186610  20.38593       1.177551  -0.000000      0.000000  
1 1 1 -2  0  36 o 12.02330 1.688897  1.602448       0.3612472 1.635875       0.5131382 1.569603       0.5086526 -0.000000      0.000000  
1 1 1 -2  0  37 o 89.19983 1.427845  79.70619       2.543926  78.69849       3.557488  80.76073       3.639214  -0.000000      0.000000  
1 1 1 -2  0  38 o 39.12433 0.9069608 15.35919       0.7076949 15.39068       1.016561  15.32957       0.9858111 -0.000000      0.000000  
1 1 1 -2  0  39 o 7.997091 1.909872  0.7984270      0.3362174 0.2716154      0.4545546 1.434817       0.4995973 -0.000000      0.000000  
1 1 1 -2  0  40 o 78.64841 1.296554  62.00073       2.036947  62.03916       2.888732  61.96272       2.872692  -0.000000      0.000000  
1 1 1 -2  0  41 f 150.6262 2.280827  227.7569       6.863926  227.0305       9.675255  228.4930       9.739176  -0.000000      0.000000  
1 1 1 -2  0  42 o 104.7708 1.643643  109.9723       3.436927  112.9216       4.995931  107.3224       4.735608  -0.000000      0.000000  
1 1 1 -2  0  43 o 24.30155 0.9662064 5.955741       0.4661249 6.239763       0.6747833 5.696521       0.6446489 -0.000000      0.000000  
1 1 1 -2  0  44 o 29.03958 0.9337478 8.478346       0.5394979 8.908480       0.7793078 8.082492       0.7476096 -0.000000      0.000000  
1 1 1 -2  0  45 o 41.18802 1.348843  17.02432       1.103284  18.70805       1.617530  15.55951       1.508706  -0.000000      0.000000  
1 1 1 -2  0  46 o 101.0751 1.607579  102.5185       3.245167  103.9202       4.655566  101.1939       4.525898  -0.000000      0.000000  
1 1 1 -2  0  47 o 92.43521 1.497367  85.76338       2.764809  86.05130       3.933291  85.48217       3.887179  -0.000000      0.000000  
1 1 1 -2  0  48 o 62.14198 1.140510  38.73856       1.414978  39.24595       2.029302  38.25845       1.974006  -0.000000      0.000000  
1 1 1 -2  0  49 o 133.9411 4.234466  181.9469       11.31845  181.9469       11.31845  181.9469       11.31845  -0.000000      0.000000  
1 1 1 -2  0  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  0  51 o 50.58635 1.505728  25.70248       1.520410  25.70248       1.520410  25.70248       1.520410  -0.000000      0.000000  
1 1 1 -2  0  52 o 60.44119 1.143002  36.69156       1.379407  36.68884       1.962143  36.69421       1.939606  -0.000000      0.000000  
1 1 1 -2  0  53 o 16.90702 1.742494  3.111268       0.5305759 2.686103       0.8150185 3.423979       0.6989734 -0.000000      0.000000  
1 1 1 -2  0  54 o 82.76604 1.416913  68.89073       2.342238  67.78737       3.298790  70.01252       3.326230  -0.000000      0.000000  
1 1 1 -2  0  55 o 46.52155 1.130757  21.82360       1.047032  20.58908       1.499557  22.99799       1.462588  -0.000000      0.000000  
1 1 1 -2  0  56 o 61.61167 1.225345  38.09467       1.502147  39.25998       2.231518  37.12911       2.031284  -0.000000      0.000000  
1 1 1 -2  0  57 o 12.31028 2.451594  2.073810       0.5671073 1.092005       0.9017828 2.716116       0.7293913 -0.000000      0.000000  
1 1 1 -2  0  58 o 6.410505 2.599303  0.5457033      0.5290037 0.2871909      0.8640733 0.7006879      0.6690432 -0.000000      0.000000  
1 1 1 -2  0  59 o 20.63950 1.557079  4.331088       0.6189492 4.969745       0.9929817 3.925279       0.7915318 -0.000000      0.000000  
1 1 1 -2  0  60 o 85.08846 2.074532  73.01489       3.525716  73.01489       3.525716  73.01489       3.525716  -0.000000      0.000000  
1 1 1 -2  0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  1  1  f 266.8087 3.026556  711.2837       15.96178  704.2103       20.97891  721.0072       24.59710  -3.105408      6.053111  
1 1 1 -2  1  2  o 226.5076 2.598110  499.9761       11.28663  468.8995       13.90468  560.0014       19.32464  -20.05568      5.196220  
1 1 1 -2  1  3  f 279.8030 3.763108  699.7307       17.28670  937.5876       39.80499  644.4426       19.19090  52.08702       7.526216  
1 1 1 -2  1  4  o 282.9193 3.625550  796.7530       19.26921  815.6061       33.81119  787.6840       23.45015  4.791626       7.251100  
1 1 1 -2  1  5  o 111.7375 1.506841  115.3283       2.873258  143.5618       6.169398  107.5082       3.246882  16.11641       3.013682  
1 1 1 -2  1  6  o 272.1004 4.027946  724.4283       21.43843  665.0338       27.16321  822.5406       34.91158  -28.82318      8.055892  
1 1 1 -2  1  7  o 382.4116 5.637495  1460.164       42.91180  1398.043       57.47055  1538.437       64.51065  -18.20529      11.27499  
1 1 1 -2  1  8  o 378.8033 5.597217  1426.838       42.05984  1345.343       55.43945  1537.352       64.56010  -25.15079      11.19443  
1 1 1 -2  1  9  o 367.1774 4.752120  1309.590       31.52032  1257.425       36.95257  1448.924       60.39288  -25.66360      9.504240  
1 1 1 -2  1  10 f 431.5563 4.508848  1802.672       37.78417  2129.800       63.17596  1620.494       47.14549  58.73685       9.017695  
1 1 1 -2  1  11 f 206.0087 2.618230  428.9394       10.37094  440.7920       13.08421  408.9077       17.00984  7.776276       5.236460  
1 1 1 -2  1  12 o 87.54947 1.206756  71.30029       1.826254  66.55677       2.076803  87.47835       3.835377  -11.94094      2.413512  
1 1 1 -2  1  13 o 327.5809 4.815818  1072.685       31.48406  1037.681       42.88579  1113.604       46.36822  -11.53574      9.631637  
1 1 1 -2  1  14 o 347.1769 5.103611  1205.413       35.38551  1245.259       51.74598  1170.412       48.49720  10.73773       10.20722  
1 1 1 -2  1  15 o 630.2051 9.277179  3853.326       113.3524  4546.546       190.3182  3472.232       141.1109  84.31171       18.55436  
1 1 1 -2  1  16 o 181.0961 2.356631  321.5128       7.828808  344.3839       14.50915  312.1190       9.298579  8.886078       4.713262  
1 1 1 -2  1  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  1  18 o 481.6445 4.990744  2321.889       48.05502  2359.406       69.16901  2286.886       66.81236  7.505463       9.981488  
1 1 1 -2  1  19 o 120.8390 1.296125  144.1032       3.098298  158.7586       4.828016  133.8420       4.039880  10.30781       2.592250  
1 1 1 -2  1  20 o 392.7979 4.086224  1544.422       32.10083  1536.482       45.26890  1552.453       45.52707  -2.030823      8.172448  
1 1 1 -2  1  21 o 233.1026 2.437387  539.3513       11.28401  578.1467       17.21017  510.0977       14.94458  14.58299       4.874774  
1 1 1 -2  1  22 o 303.8043 3.174221  923.6358       19.28588  929.3013       27.43953  918.1049       27.11214  1.839844       6.348442  
1 1 1 -2  1  23 o 186.2111 1.957176  346.2141       7.277840  335.8024       9.967033  358.1059       10.65191  -5.984512      3.914353  
1 1 1 -2  1  24 o 44.11232 0.6722575 19.49198       0.5886298 19.73107       0.7882574 19.19059       0.8850156 0.6128616      1.344515  
1 1 1 -2  1  25 o 81.30963 0.9183176 66.10920       1.493208  66.81602       2.130454  65.42672       2.093461  0.8541718      1.836635  
1 1 1 -2  1  26 o 330.7590 3.440793  1091.537       22.68187  1145.838       33.80538  1047.078       30.58922  14.87234       6.881586  
1 1 1 -2  1  27 o 281.7687 2.935225  794.8755       16.53722  804.3286       23.69486  785.8979       23.09114  3.259979       5.870450  
1 1 1 -2  1  28 f 32.63251 0.5699751 10.43018       0.3681194 8.874328       0.4830031 12.58642       0.5686086 -5.687376      1.139950  
1 1 1 -2  1  29 o 106.6911 1.164746  113.7996       2.484333  116.0479       3.576336  111.7029       3.453631  2.035133       2.329491  
1 1 1 -2  1  30 o 179.2045 1.887606  320.6599       6.752279  310.3078       9.212625  332.6761       9.925505  -6.230530      3.775212  
1 1 1 -2  1  31 o 136.4538 1.457786  186.0822       3.974728  181.7407       5.481443  190.8962       5.772037  -3.351227      2.915572  
1 1 1 -2  1  32 o 95.79590 1.061356  91.14751       2.022327  86.00066       2.695194  97.77886       3.059285  -6.144020      2.122712  
1 1 1 -2  1  33 o 127.7077 1.372038  162.4802       3.492116  155.3528       4.707845  171.1991       5.206989  -6.197235      2.744076  
1 1 1 -2  1  34 o 119.6303 1.295526  143.1803       3.099498  143.9328       4.411824  142.4469       4.355424  0.6202698      2.591051  
1 1 1 -2  1  35 o 160.5416 1.702376  257.9816       5.465812  259.3000       7.772649  256.6920       7.687701  0.8104706      3.404752  
1 1 1 -2  1  36 o 29.01956 0.6491747 8.393896       0.3757792 7.584107       0.5163748 9.305544       0.5478885 -2.965689      1.298349  
1 1 1 -2  1  37 f 70.34340 0.8439000 48.90730       1.177742  54.11356       1.810658  45.08926       1.550581  6.410805       1.687800  
1 1 1 -2  1  38 f 164.1686 1.743380  269.9985       5.724166  270.1042       8.095435  269.8928       8.094952  0.6436157E-01  3.486761  
1 1 1 -2  1  39 o 55.48494 0.7268632 30.78348       0.8064057 31.43105       1.155947  30.16954       1.125521  1.136261       1.453726  
1 1 1 -2  1  40 o 191.9791 2.028487  369.7055       7.785731  375.5939       11.19267  364.1851       10.83729  2.949402       4.056974  
1 1 1 -2  1  41 o 29.82756 0.6437396 8.729805       0.3799994 7.287600       0.5015002 10.67423       0.5823088 -5.675249      1.287479  
1 1 1 -2  1  42 o 89.00526 1.012964  78.83945       1.795175  84.20590       2.697088  74.57099       2.405398  5.400238       2.025928  
1 1 1 -2  1  43 o 13.85185 0.9608200 1.920312       0.2660598 1.839548       0.3726425 2.004295       0.3799958 -0.5943499     1.921640  
1 1 1 -2  1  44 o 49.69908 0.7112764 24.40134       0.7021347 22.01126       0.9292323 27.58179       1.071920  -5.599068      1.422553  
1 1 1 -2  1  45 o 93.32820 1.502346  87.40745       2.804214  87.47187       3.972008  87.34344       3.959535  0.6777954E-01  3.004692  
1 1 1 -2  1  46 o 85.69262 1.072718  73.82791       1.828082  71.02980       2.703902  76.18378       2.481046  -3.022430      2.145435  
1 1 1 -2  1  47 o 51.95675 1.031419  27.04981       1.071728  26.85179       1.506312  27.25281       1.525169  -0.3845482     2.062838  
1 1 1 -2  1  48 o 78.40814 1.323816  61.63124       2.073936  59.75747       2.857024  63.71846       3.015352  -2.509117      2.647632  
1 1 1 -2  1  49 o 76.28676 1.063915  58.01469       1.616306  62.01727       2.425858  54.81927       2.167504  4.693253       2.127831  
1 1 1 -2  1  50 o 86.18667 1.010228  74.43591       1.740426  72.52099       2.413330  76.51115       2.512322  -2.304520      2.020456  
1 1 1 -2  1  51 o 21.00004 1.135138  4.792200       0.4388190 6.145013       0.5805204 2.988702       0.6702804 7.525391       2.270275  
1 1 1 -2  1  52 o 29.30816 1.056765  8.610486       0.6189950 8.248841       0.8569716 9.004985       0.8950518 -1.285082      2.113529  
1 1 1 -2  1  53 o 36.63538 0.9296112 13.61678       0.6734553 11.82641       0.9814600 15.20983       0.9257950 -4.624557      1.859222  
1 1 1 -2  1  54 o 42.74004 0.7469839 18.31186       0.6379830 18.20405       0.9198982 18.41179       0.8855690 -0.2466431     1.493968  
1 1 1 -2  1  55 o 48.82358 0.7833506 23.90195       0.7647991 23.45525       1.082939  24.34643       1.080244  -0.9129601     1.566701  
1 1 1 -2  1  56 o 51.83095 0.8057373 26.94809       0.8352271 27.17228       1.184560  26.72644       1.177848  0.4291649      1.611475  
1 1 1 -2  1  57 o 19.31063 1.124364  3.738602       0.4317549 3.211650       0.5925016 4.335219       0.6304511 -2.901690      2.248728  
1 1 1 -2  1  58 o 38.51004 0.8186775 14.84059       0.6292920 16.21718       0.9155374 13.60779       0.8664004 3.380260       1.637355  
1 1 1 -2  1  59 o 9.333826 2.124632  0.8380202      0.4479874 1.102923       0.7014318 0.6555225      0.5821980 1.954909       4.249264  
1 1 1 -2  1  60 o 49.75687 1.167893  24.98003       1.160837  25.23084       1.607788  24.70690       1.677790  0.5445366      2.335786  
1 1 1 -2  1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  2  1  o 261.9367 3.467443  637.8405       15.44171  782.1160       33.23413  598.1182       17.43835  34.91405       6.934886  
1 1 1 -2  2  2  o 150.3024 2.242937  224.6206       6.706807  239.2515       10.12666  213.1886       8.951413  8.660004       4.485874  
1 1 1 -2  2  3  o 271.8953 4.001886  735.0639       21.62236  787.3441       32.87719  695.2154       28.70331  16.87756       8.003772  
1 1 1 -2  2  4  o 258.1169 3.807114  663.1246       19.55287  706.9614       29.49904  628.7731       26.11335  15.09636       7.614228  
1 1 1 -2  2  5  o 251.7911 3.158100  643.9710       15.49449  681.2836       20.12813  589.7005       24.27487  18.23582       6.316200  
1 1 1 -2  2  6  o 247.8005 3.238910  596.0339       14.45949  573.1719       16.92548  657.7941       27.81872  -16.94208      6.477819  
1 1 1 -2  2  7  o 207.7494 2.170297  431.7689       9.016688  435.0443       12.85857  428.6003       12.64710  1.549164       4.340594  
1 1 1 -2  2  8  o 314.4343 3.639226  887.5896       20.04674  792.6616       22.81132  1209.565       42.01111  -66.03015      7.278453  
1 1 1 -2  2  9  o 356.5694 3.728845  1268.082       26.51156  1210.118       35.84514  1338.082       39.39127  -17.89410      7.457690  
1 1 1 -2  2  10 o 179.9460 1.885502  322.9519       6.768389  336.9512       10.00986  311.1599       9.186899  7.160599       3.771004  
1 1 1 -2  2  11 o 343.5715 3.584609  1178.956       24.57817  1138.660       33.46670  1226.136       36.21308  -12.69418      7.169219  
1 1 1 -2  2  12 o 301.3909 3.132520  909.2303       18.88220  910.0779       26.74187  908.3875       26.66521  0.2795715      6.265039  
1 1 1 -2  2  13 o 290.5200 3.020557  843.2042       17.52459  819.6498       24.01419  870.0386       25.63184  -8.657898      6.041115  
1 1 1 -2  2  14 o 162.8950 1.716827  264.8409       5.583061  256.7278       7.625601  274.2146       8.196562  -5.365250      3.433653  
1 1 1 -2  2  15 o 559.0632 7.505554  3150.732       83.32042  3290.002       112.8618  2983.905       123.5246  27.52960       15.01111  
1 1 1 -2  2  16 o 473.5993 6.969111  2240.670       65.82967  2351.073       97.55877  2148.382       89.19662  21.29272       13.93822  
1 1 1 -2  2  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  2  18 o 308.1494 4.532703  945.0663       27.79588  1004.380       41.88523  898.3884       37.15679  17.15601       9.065407  
1 1 1 -2  2  19 o 317.2617 4.026972  1012.364       24.28856  991.6240       41.14637  1023.455       30.09039  -5.104950      8.053945  
1 1 1 -2  2  20 o 263.7185 2.748921  694.7297       14.48014  675.9989       19.88219  715.8871       21.13084  -7.555115      5.497843  
1 1 1 -2  2  21 o 184.5914 1.937567  340.7913       7.152425  343.3695       10.20257  338.2997       10.02976  1.372406       3.875134  
1 1 1 -2  2  22 o 399.7301 4.147723  1600.035       33.15935  1602.059       46.94177  1598.020       46.84718  0.5041199      8.295446  
1 1 1 -2  2  23 o 194.6752 2.046043  378.7097       7.958885  369.9439       10.97573  388.4301       11.55796  -4.744080      4.092086  
1 1 1 -2  2  24 o 202.1036 2.120219  406.6592       8.534175  388.2263       11.45914  429.6160       12.78824  -10.22887      4.240437  
1 1 1 -2  2  25 o 108.8558 1.181828  118.3463       2.569849  121.8177       3.746578  115.2619       3.531576  3.010063       2.363655  
1 1 1 -2  2  26 o 105.9962 1.154539  112.3205       2.446650  114.2810       3.517816  110.4836       3.405107  1.790627       2.309078  
1 1 1 -2  2  27 o 195.3055 2.051775  380.7490       7.996584  395.5929       11.78802  368.0950       10.88378  7.028366       4.103550  
1 1 1 -2  2  28 o 72.24469 0.8415314 52.17701       1.215523  53.07848       1.746423  51.33002       1.692846  1.209770       1.683063  
1 1 1 -2  2  29 o 255.3007 2.664977  651.0978       13.57627  628.6605       18.46766  677.4823       20.02640  -9.528076      5.329953  
1 1 1 -2  2  30 o 288.6647 3.009301  834.8160       17.37166  827.5093       24.35022  842.3890       24.79018  -2.567047      6.018602  
1 1 1 -2  2  31 o 147.4291 1.574323  215.8143       4.612076  231.6598       7.015888  203.7557       6.120361  9.451508       3.148646  
1 1 1 -2  2  32 o 42.79513 0.6315877 18.17466       0.5382668 16.80165       0.7216889 19.89598       0.8080608 -3.614784      1.263175  
1 1 1 -2  2  33 o 142.8580 1.524745  203.9482       4.351547  209.6936       6.336530  198.8202       5.986418  3.800262       3.049491  
1 1 1 -2  2  34 f 254.4391 2.660347  647.3517       13.51136  626.6205       18.43051  671.4381       19.86603  -8.764633      5.320693  
1 1 1 -2  2  35 o 151.8990 1.616124  230.8667       4.908361  234.0950       7.042805  227.8177       6.844388  2.062256       3.232247  
1 1 1 -2  2  36 o 63.78521 0.7924958 40.67968       1.010561  41.24278       1.454247  40.15385       1.405309  0.8530006      1.584992  
1 1 1 -2  2  37 o 276.2313 2.888966  765.4894       15.94966  750.6434       22.07611  781.7010       23.06910  -5.572998      5.777932  
1 1 1 -2  2  38 o 207.1223 2.179469  429.5551       9.016198  417.9816       12.37310  442.6583       13.16541  -5.920044      4.358938  
1 1 1 -2  2  39 o 21.62786 0.7077733 4.622090       0.3004915 3.500818       0.4028519 6.028384       0.4511572 -5.842464      1.415547  
1 1 1 -2  2  40 f 96.02903 1.075588  91.80351       2.057080  87.12629       2.760594  97.64307       3.084597  -5.464996      2.151176  
1 1 1 -2  2  41 o 74.63582 0.8809776 55.59025       1.312481  58.17836       1.930995  53.36792       1.789344  3.218307       1.761955  
1 1 1 -2  2  42 o 97.99231 1.095726  96.06455       2.145753  98.54492       3.110221  93.81170       2.964152  2.408287       2.191451  
1 1 1 -2  2  43 o 103.7337 1.151955  107.4226       2.383631  112.7138       3.529188  102.9842       3.232273  4.673874       2.303911  
1 1 1 -2  2  44 f 55.04304 0.9131068 30.57293       0.9548817 29.56008       1.614219  31.11814       1.184316  -1.435268      1.826214  
1 1 1 -2  2  45 o 92.92727 1.497728  86.65841       2.783547  86.70013       3.948701  86.61720       3.924470  0.4260254E-01  2.995456  
1 1 1 -2  2  46 f 80.45085 1.226230  65.11471       1.947534  66.28802       2.569537  63.53078       2.985487  1.746635       2.452460  
1 1 1 -2  2  47 o 78.80829 0.9369122 62.13148       1.475285  64.04083       2.144704  60.41662       2.032547  2.292023       1.873824  
1 1 1 -2  2  48 o 41.40879 0.7015919 17.16592       0.5809559 16.77109       0.8189524 17.56590       0.8242647 -0.9594002     1.403184  
1 1 1 -2  2  49 o 38.14617 0.7094946 14.55579       0.5404698 13.46670       0.7524383 15.71663       0.7768242 -2.947525      1.418989  
1 1 1 -2  2  50 o 43.26109 0.7204682 18.68034       0.6221983 17.25718       0.8538470 20.29165       0.9085400 -3.503078      1.440936  
1 1 1 -2  2  51 o 37.23447 0.7296245 13.87891       0.5430856 13.29171       0.7587623 14.49572       0.7776647 -1.615257      1.459249  
1 1 1 -2  2  52 o 44.26020 0.7406687 19.61801       0.6553526 18.81047       0.9170213 20.46096       0.9369159 -1.862713      1.481337  
1 1 1 -2  2  53 o 41.13664 0.8219792 16.97206       0.6678929 17.00606       0.8786784 16.92555       1.027854  0.1143150      1.643958  
1 1 1 -2  2  54 o 45.21861 1.067331  20.26923       0.9586520 23.68510       1.450549  17.62028       1.277379  6.679852       2.134662  
1 1 1 -2  2  55 o 46.63795 1.071326  21.86807       0.9986010 22.23873       1.394132  21.47752       1.431062  0.8219986      2.142652  
1 1 1 -2  2  56 o 33.85019 0.7766904 11.41060       0.5230985 12.27075       0.7900189 10.73908       0.6980367 2.250088       1.553381  
1 1 1 -2  2  57 o 45.60713 0.7899629 20.80508       0.7189665 18.96334       0.9903453 22.85742       1.045434  -4.261467      1.579926  
1 1 1 -2  2  58 o 35.75713 0.8698274 12.88886       0.6182221 12.32115       0.9147679 13.36615       0.8387640 -1.473942      1.739655  
1 1 1 -2  2  59 f 26.87753 1.128874  7.242157       0.6035174 7.605860       0.9105358 6.957173       0.8059983 1.182362       2.257748  
1 1 1 -2  2  60 o 23.61255 1.933368  4.930293       0.7639242 4.378734       0.8508868 7.222418       1.734583  -5.644661      3.866736  
1 1 1 -2  2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  3  1  o 274.8654 4.095342  755.9882       22.48938  775.3425       32.71597  738.6492       30.96573  6.647308       8.190684  
1 1 1 -2  3  2  o 90.94237 1.204267  83.28342       2.092809  84.68046       2.612044  80.77872       3.497480  2.149193       2.408533  
1 1 1 -2  3  3  o 392.4364 4.094011  1541.917       32.11261  1567.986       46.38945  1517.932       44.49777  6.347717       8.188023  
1 1 1 -2  3  4  o 298.3700 3.125473  890.9538       18.64493  899.8259       26.76290  882.5867       25.98992  2.879669       6.250947  
1 1 1 -2  3  5  o 174.1218 1.827380  298.9412       6.286523  330.4870       9.850964  277.2674       8.165365  15.27057       3.654760  
1 1 1 -2  3  6  o 333.4481 3.811287  1087.205       24.50585  1020.323       30.41343  1211.004       41.37787  -28.43427      7.622575  
1 1 1 -2  3  7  o 349.1784 3.641212  1217.508       25.37213  1270.939       37.41632  1172.026       34.52148  14.12393       7.282424  
1 1 1 -2  3  8  o 116.4416 1.245012  134.7757       2.885144  127.7531       3.856835  143.6988       4.347510  -6.844818      2.490024  
1 1 1 -2  3  9  o 216.8534 2.270973  467.0301       9.783053  442.5191       12.97177  499.3612       14.89803  -13.08975      4.541945  
1 1 1 -2  3  10 o 266.0721 2.774183  698.8809       14.59133  649.5916       18.98582  770.0006       22.80594  -22.58786      5.548366  
1 1 1 -2  3  11 o 95.19366 1.034595  90.62659       1.969703  90.86023       2.795386  90.39622       2.775877  0.2436447      2.069191  
1 1 1 -2  3  12 o 76.12827 0.8573532 57.44620       1.296474  62.21862       1.977784  53.85028       1.716778  5.495506       1.714706  
1 1 1 -2  3  13 o 291.6403 3.034913  850.1839       17.68475  831.4843       24.37683  870.9608       25.69525  -6.757751      6.069826  
1 1 1 -2  3  14 o 558.8843 5.811582  3004.306       62.68120  2688.989       77.42526  3604.026       106.7781  -81.50800      11.62316  
1 1 1 -2  3  15 o 549.3702 5.714900  3015.341       62.66413  3141.580       92.23766  2907.130       85.39796  21.26605       11.42980  
1 1 1 -2  3  16 o 531.5806 7.811563  2834.674       83.04623  2824.131       116.8422  2845.438       118.0574  -1.986633      15.62313  
1 1 1 -2  3  17 o 158.1476 2.374423  248.9393       7.474328  262.3725       11.23842  238.2849       10.00872  7.609894       4.748847  
1 1 1 -2  3  18 o 443.7917 6.032928  1944.980       51.38490  1876.110       63.68552  2073.453       86.98228  -21.95712      12.06586  
1 1 1 -2  3  19 o 182.7924 2.716627  334.2317       9.930278  336.7726       14.17893  331.7856       13.91195  1.362595       5.433254  
1 1 1 -2  3  20 o 256.7634 3.786585  659.7563       19.44189  653.1253       27.19889  666.6840       27.80095  -2.635086      7.573171  
1 1 1 -2  3  21 o 292.3401 4.306378  852.4924       25.09179  818.5559       33.85294  893.8663       37.37878  -12.84106      8.612757  
1 1 1 -2  3  22 o 202.5805 2.737578  410.9211       10.88349  409.2096       17.11277  412.0836       14.10326  -0.7335663     5.475156  
1 1 1 -2  3  23 f 394.7702 5.032818  1560.078       37.35087  1568.689       65.15236  1555.862       45.58564  1.291656       10.06564  
1 1 1 -2  3  24 o 280.0782 2.916732  784.1618       16.31987  764.5410       22.45097  806.1458       23.76457  -7.411774      5.833464  
1 1 1 -2  3  25 o 154.5518 1.635612  238.8664       5.054313  235.6754       7.048126  242.2448       7.251990  -2.123734      3.271225  
1 1 1 -2  3  26 f 375.9771 3.909065  1415.067       29.36094  1454.121       42.75855  1380.223       40.38805  9.776703       7.818129  
1 1 1 -2  3  27 o 137.1665 1.462274  188.1749       4.010696  186.1153       5.605106  190.3359       5.741308  -1.537201      2.924548  
1 1 1 -2  3  28 o 306.2962 3.190444  939.9649       19.53979  928.6290       27.27983  951.9084       28.00118  -3.782593      6.380888  
1 1 1 -2  3  29 o 260.5420 2.719352  679.9476       14.16988  682.0130       20.10747  677.9101       19.97169  0.7844238      5.438704  
1 1 1 -2  3  30 o 96.64813 1.069992  93.28668       2.065492  90.78628       2.834761  96.11649       3.015726  -2.756004      2.139985  
1 1 1 -2  3  31 o 197.7675 2.077061  391.4483       8.213921  387.2320       11.48195  395.8679       11.75535  -2.178375      4.154123  
1 1 1 -2  3  32 o 173.8335 1.835536  302.2695       6.378392  307.9182       9.195728  297.0320       8.854750  3.125336       3.671072  
1 1 1 -2  3  33 f 216.8076 2.272591  470.2748       9.845409  459.7912       13.58275  481.8806       14.29128  -5.077469      4.545182  
1 1 1 -2  3  34 f 98.34267 1.092742  96.33270       2.142167  91.92924       2.891046  101.6937       3.189918  -4.960793      2.185485  
1 1 1 -2  3  35 o 28.13576 0.6394053 7.835978       0.3574455 6.717976       0.4809696 9.215257       0.5342225 -4.437473      1.278811  
1 1 1 -2  3  36 o 53.30573 0.7111331 28.41126       0.7579815 28.88920       1.086024  27.95732       1.058405  0.8737831      1.422266  
1 1 1 -2  3  37 o 52.12894 0.7073194 27.10039       0.7361093 25.88081       1.004794  28.51317       1.081460  -2.523899      1.414639  
1 1 1 -2  3  38 o 51.91187 0.7037837 26.95491       0.7306669 27.17282       1.038840  26.74158       1.027885  0.4151802      1.407567  
1 1 1 -2  3  39 o 61.91379 0.7787268 38.06476       0.9598426 41.31449       1.444676  35.49656       1.284281  4.695152       1.557454  
1 1 1 -2  3  40 o 36.77754 0.6408945 13.50277       0.4708793 12.93321       0.6474928 14.14213       0.6860242 -1.642769      1.281789  
1 1 1 -2  3  41 o 61.01460 0.8448315 37.26347       1.017470  37.19719       1.570292  37.31143       1.335817  -0.1005707     1.689663  
1 1 1 -2  3  42 o 65.43040 1.160058  42.20353       1.500428  47.26702       2.348662  38.71206       1.950289  6.517235       2.320116  
1 1 1 -2  3  43 o 91.98592 1.484921  84.85427       2.731707  83.89972       3.841831  85.83038       3.884965  -1.046425      2.969842  
1 1 1 -2  3  44 o 82.07742 1.905235  67.54865       3.127535  67.54865       3.127535  ?              ?         ?              ?         
1 1 1 -2  3  45 o 36.59456 1.004418  13.31233       0.7303263 14.26342       1.111211  12.58910       0.9690061 2.279602       2.008837  
1 1 1 -2  3  46 o 36.07072 0.6830325 12.96530       0.4916367 11.94881       0.6711488 14.14236       0.7222147 -3.038284      1.366065  
1 1 1 -2  3  47 o 25.52315 0.7292262 6.516302       0.3718377 6.955885       0.5333472 6.100568       0.5186756 1.674814       1.458452  
1 1 1 -2  3  48 o 75.38550 0.9114423 56.78297       1.371405  59.30880       2.018865  54.61880       1.868743  3.099426       1.822885  
1 1 1 -2  3  49 o 70.39030 0.8741096 49.43765       1.227444  46.81555       1.664743  52.56119       1.816963  -4.069000      1.748219  
1 1 1 -2  3  50 o 18.86249 0.9116229 3.576311       0.3429518 3.380689       0.4945095 3.757587       0.4760322 -1.000824      1.823246  
1 1 1 -2  3  51 o 27.73398 0.7653007 7.554649       0.4195739 9.376187       0.6423965 6.199511       0.5540843 5.719461       1.530601  
1 1 1 -2  3  52 o 15.40613 1.115298  2.365384       0.3416163 2.761245       0.5061605 2.034210       0.4629613 2.353564       2.230596  
1 1 1 -2  3  53 o 40.69856 0.7458568 16.55318       0.6061041 17.39221       0.8889755 15.82435       0.8285341 1.920082       1.491714  
1 1 1 -2  3  54 o 28.27380 0.7987595 8.014956       0.4512545 8.012359       0.6524011 8.017338       0.6248316 -0.1197624E-01 1.597519  
1 1 1 -2  3  55 f 61.27369 0.8429322 37.46375       1.029356  39.93550       1.536284  35.45005       1.386648  3.641006       1.685864  
1 1 1 -2  3  56 o 10.35156 2.089567  1.120552       0.4549238 1.224046       0.6464602 1.019021       0.6403029 0.8398600      4.179135  
1 1 1 -2  3  57 o 47.37946 1.087080  22.50009       1.028246  24.19107       1.507051  21.02728       1.406473  3.319363       2.174159  
1 1 1 -2  3  58 o 75.11849 1.028081  56.98424       1.538025  53.30744       2.231218  60.31306       2.123005  -4.684708      2.056162  
1 1 1 -2  3  59 o 22.07494 1.321334  4.888814       0.5783307 5.873203       0.8546621 4.057348       0.7854772 4.093727       2.642669  
1 1 1 -2  3  60 o 16.04252 2.553471  2.844818       0.6940331 2.956592       0.7842978 2.441349       1.490104  2.024188       5.106941  
1 1 1 -2  3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  4  1  o 130.1088 1.383135  168.4554       3.583229  178.1082       5.378074  160.7499       4.805098  6.667664       2.766270  
1 1 1 -2  4  2  f 386.7195 4.040977  1432.045       30.08217  1273.485       37.00254  1741.116       51.66117  -60.23569      8.081953  
1 1 1 -2  4  3  o 367.3612 3.832414  1350.963       28.14288  1331.175       39.06321  1372.318       40.58021  -5.577637      7.664827  
1 1 1 -2  4  4  o 130.4797 1.386494  168.6236       3.588432  182.8113       5.514319  158.2023       4.726012  9.426056       2.772989  
1 1 1 -2  4  5  o 338.5041 3.532640  1135.107       23.67990  1231.745       36.67388  1066.010       31.01085  24.40509       7.065280  
1 1 1 -2  4  6  o 230.8606 2.406977  532.3954       11.09737  549.1809       16.22542  517.6419       15.21169  6.821548       4.813954  
1 1 1 -2  4  7  o 299.6727 3.116368  897.9358       18.65966  921.1014       27.11345  877.0916       25.71921  7.326721       6.232736  
1 1 1 -2  4  8  f 413.2365 4.728192  1634.922       36.68105  1503.930       44.00871  1933.008       66.38783  -51.52194      9.456384  
1 1 1 -2  4  9  o 374.8277 3.901596  1407.197       29.24838  1403.042       41.38014  1411.346       41.34681  -1.108093      7.803192  
1 1 1 -2  4  10 o 91.52365 0.9985003 83.74854       1.827284  82.67755       2.550522  84.87795       2.619185  -1.201851      1.997001  
1 1 1 -2  4  11 o 304.1082 3.162724  924.5006       19.21653  949.8541       27.94544  901.7582       26.46732  7.892853       6.325449  
1 1 1 -2  4  12 o 393.0182 4.113845  1546.013       32.32467  1526.580       45.00603  1566.718       46.45642  -5.090576      8.227690  
1 1 1 -2  4  13 o 425.0687 4.421746  1804.052       37.50757  1739.429       51.04194  1879.911       55.30114  -16.48398      8.843493  
1 1 1 -2  4  14 o 244.5656 2.549277  598.2938       12.46874  594.7970       17.53289  601.8721       17.73579  -1.445480      5.098553  
1 1 1 -2  4  15 o 436.8522 4.535695  1892.372       39.31076  1777.378       51.81756  2048.292       60.33767  -30.93692      9.071390  
1 1 1 -2  4  16 o 200.9806 2.104349  403.5079       8.449801  393.3385       11.63407  414.8615       12.29277  -5.351868      4.208699  
1 1 1 -2  4  17 o 426.2030 4.438778  1803.406       37.57173  1699.483       49.73822  1941.510       57.33727  -28.32715      8.877557  
1 1 1 -2  4  18 o 525.9935 5.471730  2771.043       57.55536  2748.772       80.67326  2794.131       82.13763  -4.295654      10.94346  
1 1 1 -2  4  19 o 454.3960 4.722839  2062.336       42.83551  2147.398       63.01954  1989.285       58.40088  17.35083       9.445679  
1 1 1 -2  4  20 o 467.9342 4.870658  2193.055       45.58095  2174.709       64.09599  2211.825       64.83273  -3.957245      9.741316  
1 1 1 -2  4  21 o 374.9421 3.916440  1406.580       29.35066  1432.467       42.39984  1382.763       40.67038  6.609497       7.832880  
1 1 1 -2  4  22 o 321.6707 4.097116  1036.188       24.84577  1036.020       30.42467  1036.523       43.04847  0.8282471E-01  8.194232  
1 1 1 -2  4  23 o 307.6596 4.530025  948.5753       27.87403  949.3840       39.47747  947.7714       39.36243  0.2601318      9.060051  
1 1 1 -2  4  24 o 202.5136 3.000737  410.4037       12.14957  416.6965       17.46047  404.4969       16.91660  3.004913       6.001475  
1 1 1 -2  4  25 o 181.5494 2.699634  329.7108       9.796403  323.5998       13.57447  336.3528       14.15199  -3.504364      5.399267  
1 1 1 -2  4  26 o 96.04557 1.294334  93.35780       2.386958  88.28190       3.918828  96.35172       3.009681  -4.207764      2.588669  
1 1 1 -2  4  27 o 155.0035 1.641405  240.0967       5.083341  234.3166       7.002969  246.5343       7.390539  -3.936752      3.282810  
1 1 1 -2  4  28 o 231.8075 2.425848  537.9107       11.24412  544.7647       16.10645  531.3947       15.70434  2.876114       4.851696  
1 1 1 -2  4  29 o 46.31824 0.6390913 21.19705       0.5879780 23.72931       0.8979901 19.29666       0.7779264 4.784397       1.278183  
1 1 1 -2  4  30 o 379.0143 3.944971  1441.411       29.89978  1428.343       41.86612  1455.016       42.71603  -3.491516      7.889942  
1 1 1 -2  4  31 o 126.3900 1.361675  159.6014       3.438122  155.5237       4.728857  164.1739       5.007584  -3.418594      2.723350  
1 1 1 -2  4  32 o 110.5976 1.205433  121.9925       2.659926  127.5349       3.929665  117.3057       3.613588  4.620827       2.410867  
1 1 1 -2  4  33 o 99.34933 1.182943  99.03486       2.342268  94.43848       3.408619  103.1469       3.224019  -4.385033      2.365887  
1 1 1 -2  4  34 o 181.5056 1.915460  329.5314       6.947934  322.4196       9.601414  337.3493       10.06683  -4.102325      3.830920  
1 1 1 -2  4  35 o 52.27451 0.7044910 27.33149       0.7365215 27.08464       1.040371  27.57952       1.042831  -0.4733238     1.408982  
1 1 1 -2  4  36 o 80.09814 0.9296684 63.41143       1.476010  69.82346       2.279032  58.77876       1.937173  6.889381       1.859337  
1 1 1 -2  4  37 o 63.16585 0.7949827 39.69242       1.000825  37.38408       1.348392  42.52417       1.493461  -4.066547      1.589965  
1 1 1 -2  4  38 o 93.43396 1.052300  86.78947       1.956491  92.87101       2.951264  82.02116       2.613258  5.797997       2.104600  
1 1 1 -2  4  39 o 127.7956 1.696259  164.1141       4.099746  162.3602       7.037449  165.0151       5.044062  -1.131050      3.392517  
1 1 1 -2  4  40 o 56.39648 1.067495  31.66691       1.199129  33.68272       1.796848  30.04828       1.610123  3.215626       2.134991  
1 1 1 -2  4  41 o 66.26466 1.164878  43.81097       1.540670  41.45004       2.098852  46.56953       2.268722  -3.855576      2.329755  
1 1 1 -2  4  42 o 48.95242 0.7049994 23.89020       0.6888256 25.39659       1.014351  22.60102       0.9383723 2.853008       1.409999  
1 1 1 -2  4  43 o 16.68253 0.8741890 2.760273       0.2874388 3.491447       0.4280767 2.159942       0.3878878 3.989040       1.748378  
1 1 1 -2  4  44 o 58.23619 0.7667242 33.88531       0.8919291 35.10270       1.301133  32.80613       1.225058  1.968643       1.533448  
1 1 1 -2  4  45 o 56.07243 1.084266  31.27079       1.211400  28.68187       1.631263  34.45397       1.808818  -5.135841      2.168532  
1 1 1 -2  4  46 o 34.14289 0.6832561 11.67272       0.4660621 10.99759       0.6565882 12.35833       0.6616639 -1.992481      1.366512  
1 1 1 -2  4  47 o 51.20093 0.7324339 25.96766       0.7454374 28.78923       1.133452  23.81703       0.9895543 4.847927       1.464868  
1 1 1 -2  4  48 o 47.87576 0.7246762 22.77186       0.6906799 24.80403       1.039749  21.16696       0.9240020 3.791409       1.449352  
1 1 1 -2  4  49 o 52.91815 0.7546145 27.86655       0.7959176 25.85377       1.073047  30.32832       1.186712  -4.219604      1.509229  
1 1 1 -2  4  50 f 9.335773 1.502155  0.9076520      0.3003252 0.3423257      0.4263789 1.464285       0.4230880 -5.474944      3.004309  
1 1 1 -2  4  51 o 50.42125 0.7565325 25.45163       0.7625836 24.48514       1.063353  26.47506       1.094221  -1.970596      1.513065  
1 1 1 -2  4  52 o 41.62001 0.7424060 17.16385       0.6142664 14.95989       0.8232964 19.93132       0.9225613 -5.963028      1.484812  
1 1 1 -2  4  53 o 61.51327 0.8298484 37.93551       1.020879  37.41113       1.436433  38.47070       1.451161  -0.8596001     1.659697  
1 1 1 -2  4  54 o 52.89558 0.7816492 27.79501       0.8223764 30.49195       1.245408  25.70987       1.095074  4.503185       1.563298  
1 1 1 -2  4  55 o 16.29681 1.103125  2.680576       0.3580990 2.499297       0.5180088 2.846505       0.4955916 -1.069112      2.206250  
1 1 1 -2  4  56 o 24.16430 0.8897782 5.771511       0.4264174 6.895339       0.6478735 4.912576       0.5663963 4.089951       1.779556  
1 1 1 -2  4  57 o 15.63712 1.306247  2.503397       0.3987041 2.275448       0.6195390 2.664544       0.5209064 -1.266969      2.612495  
1 1 1 -2  4  58 o 8.323915 2.134560  0.5422252      0.4704841 0.8779542      0.6900198 0.2505317      0.6431771 2.249344       4.269120  
1 1 1 -2  4  59 o 35.95160 1.108998  12.97294       0.7957339 11.94419       1.089530  14.14898       1.164924  -3.048084      2.217996  
1 1 1 -2  4  60 f 22.53418 1.348624  5.152368       0.6051696 5.672975       0.8531680 4.625191       0.8585353 2.326483       2.697248  
1 1 1 -2  4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  5  1  o 258.1876 2.695928  666.3018       13.90302  651.9830       19.09993  682.4388       20.27647  -5.886063      5.391855  
1 1 1 -2  5  2  o 154.7829 1.632443  239.4698       5.050309  244.3473       7.298613  234.9890       6.995458  3.021149       3.264885  
1 1 1 -2  5  3  o 342.4183 3.574331  1145.166       23.97672  1041.104       30.44545  1315.099       38.90586  -39.89499      7.148661  
1 1 1 -2  5  4  o 122.8588 1.310059  150.9348       3.218433  149.2502       4.499067  152.7003       4.605917  -1.403572      2.620118  
1 1 1 -2  5  5  o 395.8086 4.130749  1569.144       32.69374  1585.835       46.77353  1553.198       45.71644  4.106476       8.261498  
1 1 1 -2  5  6  o 245.4972 2.558316  602.6855       12.55366  614.6225       18.13279  591.6976       17.39717  4.662048       5.116632  
1 1 1 -2  5  7  o 253.1801 2.636407  640.7773       13.33720  626.4733       18.39217  656.6412       19.36903  -5.948303      5.272814  
1 1 1 -2  5  8  o 160.9308 1.694048  258.6641       5.445231  266.4251       7.949680  251.8045       7.473773  4.539612       3.388097  
1 1 1 -2  5  9  o 236.1424 2.462513  555.3333       11.58258  530.8005       15.56305  585.7929       17.34135  -11.62901      4.925026  
1 1 1 -2  5  10 f 413.7081 4.311193  1707.407       35.56399  1631.239       48.08979  1799.346       52.83452  -20.25531      8.622387  
1 1 1 -2  5  11 o 406.9344 4.240385  1636.365       34.09303  1528.075       44.31437  1793.420       53.36758  -32.50580      8.480770  
1 1 1 -2  5  12 o 481.9948 5.013942  2324.491       48.30197  2269.417       66.84772  2384.660       69.87114  -11.92285      10.02788  
1 1 1 -2  5  13 f 362.4484 3.763377  1314.084       27.26934  1295.379       37.92300  1334.111       39.24007  -5.333954      7.526755  
1 1 1 -2  5  14 f 127.2189 1.359037  161.2387       3.446895  154.5458       4.657026  169.3472       5.125934  -5.816124      2.718074  
1 1 1 -2  5  15 o 595.6851 8.747282  3557.139       104.0646  3666.855       152.0846  3460.543       142.7020  17.16180       17.49456  
1 1 1 -2  5  16 o 242.0795 3.569066  586.1876       17.27357  577.7556       24.04113  595.1859       24.83527  -3.594574      7.138132  
1 1 1 -2  5  17 o 354.2426 3.677893  1255.835       26.05730  1256.752       36.88301  1254.922       36.81824  0.2578125      7.355787  
1 1 1 -2  5  18 o 223.4066 2.333540  499.2415       10.42604  501.7315       14.83237  496.8096       14.65847  1.100708       4.667079  
1 1 1 -2  5  19 o 467.8469 4.862915  2187.274       45.42198  2113.079       62.05467  2272.906       66.66566  -17.02823      9.725829  
1 1 1 -2  5  20 o 292.6100 3.042666  856.8024       17.80629  856.5182       25.17392  857.0869       25.18988  -0.9704590E-01 6.085332  
1 1 1 -2  5  21 o 209.9431 2.196158  440.5239       9.213956  431.1510       12.72873  450.8416       13.35480  -4.685364      4.392316  
1 1 1 -2  5  22 o 312.2922 3.247331  974.4103       20.24915  1007.323       29.66883  945.7100       27.70516  9.842560       6.494661  
1 1 1 -2  5  23 o 329.5288 3.431370  1086.704       22.60036  1104.996       32.65124  1069.879       31.31414  5.309692       6.862739  
1 1 1 -2  5  24 o 360.9466 3.755498  1305.211       27.10927  1313.198       38.57611  1297.418       38.10482  2.177490       7.510996  
1 1 1 -2  5  25 o 209.5400 2.657772  444.9914       10.77298  462.5424       13.75367  417.1288       17.32915  10.88736       5.315543  
1 1 1 -2  5  26 o 236.3261 3.498064  559.6512       16.53207  555.1251       23.18653  564.3315       23.57816  -1.939178      6.996128  
1 1 1 -2  5  27 o 107.8234 1.658920  116.3154       3.577086  117.1059       5.099546  115.5498       5.018943  0.7205734      3.317840  
1 1 1 -2  5  28 o 235.1184 3.479385  553.8334       16.34880  542.3018       22.59708  566.4994       23.68248  -5.115341      6.958770  
1 1 1 -2  5  29 f 307.5402 3.921922  950.8727       22.82196  943.2269       39.15971  954.8052       28.08438  -2.215515      7.843843  
1 1 1 -2  5  30 o 172.6416 1.824092  297.4007       6.282853  286.3547       8.534163  310.4721       9.283673  -6.973129      3.648183  
1 1 1 -2  5  31 o 331.3928 3.456698  1101.199       22.90200  1086.791       31.87858  1116.566       32.92332  -4.459106      6.913396  
1 1 1 -2  5  32 o 228.4696 2.393883  521.2393       10.91024  501.9943       14.80503  544.1116       16.14008  -9.184937      4.787765  
1 1 1 -2  5  33 o 91.54207 1.028295  83.69425       1.880397  86.43426       2.741554  81.26012       2.584001  2.824303       2.056591  
1 1 1 -2  5  34 o 222.0701 2.330122  494.0650       10.34872  496.0597       14.70118  492.1056       14.57029  0.8865662      4.660244  
1 1 1 -2  5  35 o 32.74757 0.6404899 10.69472       0.4187666 11.25462       0.6147177 10.20987       0.5720343 1.594755       1.280980  
1 1 1 -2  5  36 o 73.81065 1.084567  53.26063       1.462810  57.57124       2.734956  51.53336       1.731253  4.072304       2.169134  
1 1 1 -2  5  37 o 219.3206 3.270324  483.8807       14.34138  477.9763       20.01496  490.1108       20.55955  -2.729553      6.540648  
1 1 1 -2  5  38 o 98.71729 1.562369  97.61249       3.084570  97.74712       4.379971  97.48000       4.344725  0.1339645      3.124738  
1 1 1 -2  5  39 f 71.33233 1.044788  51.73391       1.438622  54.28657       1.836482  47.67946       2.314493  4.645889       2.089575  
1 1 1 -2  5  40 o 116.8263 1.276037  136.5849       2.979600  133.7448       4.126053  139.6801       4.307375  -2.532425      2.552074  
1 1 1 -2  5  41 o 150.5775 1.611593  227.1750       4.849251  232.7093       7.034098  222.1626       6.694269  3.480087       3.223187  
1 1 1 -2  5  42 o 79.72852 0.9350617 63.63774       1.491021  63.55089       2.108082  63.72468       2.109163  -0.1089401     1.870123  
1 1 1 -2  5  43 o 92.21559 1.049714  85.08063       1.934374  87.23952       2.805653  83.12460       2.670579  2.224052       2.099428  
1 1 1 -2  5  44 o 123.6863 1.349347  153.2280       3.334585  157.3210       4.847359  149.5510       4.594431  3.122452       2.698695  
1 1 1 -2  5  45 o 98.83885 1.582551  97.98634       3.124692  100.5912       4.551727  95.66466       4.297211  2.467697       3.165103  
1 1 1 -2  5  46 f 47.37270 0.7087231 22.39048       0.6702051 23.66302       0.9857172 21.29643       0.9139704 2.494270       1.417446  
1 1 1 -2  5  47 o 67.08622 0.8402722 44.95420       1.125291  46.96579       1.654270  43.22177       1.535196  2.782806       1.680544  
1 1 1 -2  5  48 o 28.43253 0.7256252 8.029642       0.4106396 9.211831       0.6098791 7.049222       0.5554007 3.799658       1.451250  
1 1 1 -2  5  49 o 43.23880 0.7144467 18.56712       0.6151325 20.50115       0.9235975 17.02531       0.8246455 4.012299       1.428893  
1 1 1 -2  5  50 o 39.10479 0.7097477 15.31799       0.5549378 14.90815       0.7849816 15.72746       0.7846196 -1.047607      1.419495  
1 1 1 -2  5  51 f 27.12652 0.8011214 7.362580       0.4290674 5.866613       0.5890412 9.053527       0.6262530 -5.870686      1.602243  
1 1 1 -2  5  52 o 18.52022 0.9381423 3.433149       0.3468284 3.564929       0.5097519 3.319563       0.4732576 0.6579514      1.876285  
1 1 1 -2  5  53 o 22.51197 0.8701090 5.009935       0.3887449 5.934978       0.5891282 4.296511       0.5173715 3.630548       1.740218  
1 1 1 -2  5  54 o 71.85729 0.9114888 51.76471       1.309314  50.22409       1.817955  53.42507       1.887289  -2.218063      1.822978  
1 1 1 -2  5  55 o 30.11798 0.7886080 9.085688       0.4741542 9.272658       0.6947856 8.922700       0.6486952 0.5750828      1.577216  
1 1 1 -2  5  56 o 53.81322 0.8092902 29.05088       0.8705245 29.12078       1.252888  28.98564       1.210425  0.1195107      1.618580  
1 1 1 -2  5  57 o 31.31473 0.8890466 9.910758       0.5508098 9.352104       0.8287634 10.35276       0.7371802 -1.612560      1.778093  
1 1 1 -2  5  58 o 45.35505 1.102286  20.70766       0.9996563 20.53099       1.396518  20.89330       1.431589  -0.3917122     2.204572  
1 1 1 -2  5  59 o 22.30669 1.322406  5.020183       0.5892964 5.348445       0.8548892 4.722982       0.8134371 1.389719       2.644813  
1 1 1 -2  5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  6  1  o 319.5275 3.322512  1018.187       21.15981  977.2167       28.54897  1068.128       31.52015  -14.18918      6.645024  
1 1 1 -2  6  2  o 303.6322 3.166751  919.8182       19.17739  884.0643       25.98757  962.5688       28.41678  -12.89893      6.333501  
1 1 1 -2  6  3  o 369.9926 3.854094  1369.571       28.48982  1340.152       39.24137  1402.361       41.42895  -8.375397      7.708187  
1 1 1 -2  6  4  o 502.3665 5.504453  2435.676       54.07192  2095.375       68.25014  3009.370       88.61597  -90.55460      11.00891  
1 1 1 -2  6  5  o 362.5601 3.774719  1316.234       27.36910  1331.837       39.00463  1301.099       38.41364  4.230896       7.549438  
1 1 1 -2  6  6  o 94.11825 1.029542  86.62428       1.903868  98.93014       3.056659  78.82403       2.433575  10.67903       2.059085  
1 1 1 -2  6  7  f 107.5411 1.158187  115.1266       2.481537  121.5861       3.709216  109.8929       3.338787  5.435165       2.316375  
1 1 1 -2  6  8  o 421.0546 4.385550  1739.522       36.27874  1596.117       46.39837  1965.112       58.19426  -43.66031      8.771099  
1 1 1 -2  6  9  o 219.7341 2.292906  482.6707       10.07036  492.4813       14.55103  473.6523       13.95119  4.280853       4.585812  
1 1 1 -2  6  10 o 188.2339 1.972868  354.1798       7.423120  360.9408       10.71274  347.9353       10.29544  3.452759       3.945736  
1 1 1 -2  6  11 o 236.5139 2.465889  558.9510       11.65304  573.1340       16.93125  546.1857       16.06279  5.692749       4.931777  
1 1 1 -2  6  12 o 182.0079 1.910497  331.2476       6.953091  335.2873       9.954917  327.3996       9.715755  2.166031       3.820993  
1 1 1 -2  6  13 o 298.0849 3.098945  885.6091       18.41473  929.0499       27.39725  849.8119       24.87045  13.27679       6.197891  
1 1 1 -2  6  14 o 599.1985 8.809754  3600.541       105.4619  3705.668       153.4984  3506.547       145.1433  16.47528       17.61951  
1 1 1 -2  6  15 o 488.5927 7.184542  2378.501       69.82883  2253.640       93.14130  2538.752       105.5186  -29.00247      14.36908  
1 1 1 -2  6  16 o 560.9862 5.842487  3147.679       65.45010  3061.079       89.64494  3246.538       95.78018  -16.45819      11.68497  
1 1 1 -2  6  17 o 515.3744 5.360496  2652.691       55.10180  2763.327       81.59377  2559.931       74.71166  19.65506       10.72099  
1 1 1 -2  6  18 o 282.0014 2.937933  791.4803       16.49409  838.0115       24.78416  754.4871       22.09851  14.79083       5.875866  
1 1 1 -2  6  19 o 187.1203 1.964093  350.1542       7.348853  346.3469       10.26658  354.1548       10.52389  -2.084991      3.928186  
1 1 1 -2  6  20 o 258.3044 2.691407  666.6908       13.88735  649.9611       19.08921  685.4996       20.24071  -6.870117      5.382813  
1 1 1 -2  6  21 o 272.0054 2.833506  740.2270       15.41105  731.4050       21.52000  749.5139       22.07981  -3.323456      5.667011  
1 1 1 -2  6  22 o 254.9218 2.658319  647.5836       13.50345  620.0753       18.18862  681.3650       20.15608  -12.00087      5.316637  
1 1 1 -2  6  23 o 66.29187 0.7944773 42.47560       1.029730  37.41074       1.299709  51.01509       1.687634  -10.25955      1.588955  
1 1 1 -2  6  24 f 332.6974 3.460187  1107.993       23.00862  1130.500       33.26996  1087.361       31.85438  6.457611       6.920374  
1 1 1 -2  6  25 o 193.0218 2.026384  372.4786       7.816422  364.5641       10.79779  381.1917       11.32955  -4.300766      4.052767  
1 1 1 -2  6  26 o 55.30960 0.6990966 30.38520       0.7701078 28.39215       1.032971  32.87909       1.155493  -4.055607      1.398193  
1 1 1 -2  6  27 o 95.24913 1.055053  88.82750       1.976499  80.93044       2.532816  101.1253       3.160704  -10.59575      2.110106  
1 1 1 -2  6  28 o 123.9906 1.335024  153.7966       3.310597  154.1494       4.688727  153.4460       4.675086  0.2835159      2.670047  
1 1 1 -2  6  29 o 114.2472 1.533588  127.6665       3.206403  123.5643       3.799248  137.8211       5.977520  -6.212692      3.067176  
1 1 1 -2  6  30 f 70.33586 1.166126  49.44066       1.639302  48.25384       2.268191  50.73853       2.371934  -1.765221      2.332251  
1 1 1 -2  6  31 o 260.3396 3.851816  678.0428       19.99302  651.3496       27.02902  710.2928       29.70947  -11.22125      7.703631  
1 1 1 -2  6  32 f 134.6694 2.040092  181.5729       5.494460  182.7362       7.819808  180.4385       7.721797  0.8509674      4.080185  
1 1 1 -2  6  33 o 191.5594 3.097998  382.1641       10.17974  340.5453       20.02146  396.6741       11.82184  -14.92853      6.195997  
1 1 1 -2  6  34 o 120.9561 1.858639  146.4946       4.496271  146.2515       6.357618  146.7378       6.359757  -0.2009659     3.717277  
1 1 1 -2  6  35 o 25.90596 1.006876  6.680539       0.5198113 7.100052       0.7760627 6.339183       0.7000484 1.467310       2.013752  
1 1 1 -2  6  36 o 138.2119 1.929853  189.1789       5.145926  183.3166       6.428409  199.6367       8.586041  -5.829330      3.859706  
1 1 1 -2  6  37 o 107.5120 1.184463  115.4528       2.542707  119.6624       3.726574  111.7857       3.478130  3.656624       2.368926  
1 1 1 -2  6  38 o 130.7067 1.410734  170.9772       3.685849  167.7113       5.112112  174.5130       5.319210  -2.594208      2.821468  
1 1 1 -2  6  39 o 123.1461 1.337350  151.8705       3.293316  153.3161       4.705399  150.4823       4.610941  1.146538       2.674700  
1 1 1 -2  6  40 o 32.81395 0.6473438 10.62287       0.4215138 9.048528       0.5621011 12.64567       0.6371484 -5.479410      1.294688  
1 1 1 -2  6  41 o 32.44580 0.6552611 10.50394       0.4241425 9.504905       0.5846948 11.61354       0.6162006 -3.248575      1.310522  
1 1 1 -2  6  42 o 36.57533 0.6569824 13.15305       0.4763814 15.42101       0.7328457 11.49342       0.6269024 5.365921       1.313965  
1 1 1 -2  6  43 o 68.77287 1.079639  47.27261       1.453939  47.89402       2.310985  46.86551       1.870523  0.7230988      2.159279  
1 1 1 -2  6  44 o 54.67436 0.7453850 29.73788       0.8120239 32.00105       1.214291  27.90711       1.092146  3.738850       1.490770  
1 1 1 -2  6  45 o 98.38991 1.582080  96.41402       3.091490  104.1496       4.718861  90.59734       4.091915  6.822067       3.164161  
1 1 1 -2  6  46 o 51.55628 0.7375019 26.60779       0.7604284 26.28611       1.071548  26.93416       1.079310  -0.6280823     1.475004  
1 1 1 -2  6  47 o 49.60646 0.7322888 24.32489       0.7217990 21.76090       0.9578493 27.69408       1.097999  -5.971958      1.464578  
1 1 1 -2  6  48 o 42.30109 0.7031077 17.90134       0.5945576 18.39563       0.8572761 17.44324       0.8252981 1.123703       1.406215  
1 1 1 -2  6  49 f 31.70804 0.7140712 10.04893       0.4514681 9.000617       0.6244259 11.19717       0.6535112 -3.461575      1.428142  
1 1 1 -2  6  50 o 14.30632 1.115478  2.083495       0.3144877 1.736075       0.4555916 2.399714       0.4346526 -2.321924      2.230956  
1 1 1 -2  6  51 o 34.31706 0.7330927 11.79722       0.5029490 11.83969       0.7221918 11.75723       0.7008431 0.1182251      1.466185  
1 1 1 -2  6  52 f 32.67970 0.7478096 10.70508       0.4879288 9.903307       0.6847588 11.53206       0.6954362 -2.490923      1.495619  
1 1 1 -2  6  53 o 46.06975 0.7622913 21.26139       0.7020081 20.31802       0.9812945 22.25030       1.004698  -2.094627      1.524583  
1 1 1 -2  6  54 o 61.07112 0.8366064 37.38993       1.021615  36.36256       1.429054  38.46382       1.461039  -1.716393      1.673213  
1 1 1 -2  6  55 f 43.17706 0.7655574 18.69467       0.6606593 18.70333       0.9517347 18.68661       0.9178151 0.1495361E-01  1.531115  
1 1 1 -2  6  56 o 24.69471 0.8890128 6.077251       0.4374553 6.761003       0.6513334 5.515356       0.5904487 2.512543       1.778026  
1 1 1 -2  6  57 o 40.14082 0.9702245 16.14396       0.7677716 16.48573       1.196451  15.90470       1.001072  0.6880608      1.940449  
1 1 1 -2  6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  6  59 o 13.83572 3.637393  2.065877       1.019868  2.065877       1.019868  ?              ?         ?              ?         
1 1 1 -2  6  60 o 44.91173 1.115273  20.33591       1.001677  20.68709       1.417776  19.98590       1.415397  0.7800179      2.230546  
1 1 1 -2  6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  6  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  7  1  o 377.5274 4.261638  1432.208       32.02800  1374.238       47.06182  1482.220       43.71229  -14.34897      8.523275  
1 1 1 -2  7  2  o 242.4421 2.526621  585.7057       12.20785  615.8041       18.20307  561.1026       16.45760  11.26669       5.053241  
1 1 1 -2  7  3  f 263.8325 2.746383  696.5009       14.49070  691.8223       20.35016  701.3131       20.63879  -1.796051      5.492765  
1 1 1 -2  7  4  o 49.32385 0.6136912 24.32221       0.6052858 23.96480       0.8463402 24.69643       0.8660054 -0.7416153     1.227382  
1 1 1 -2  7  5  o 258.6996 2.694824  669.4421       13.93909  660.9680       19.43946  678.4103       19.99810  -3.366730      5.389649  
1 1 1 -2  7  6  o 517.1007 5.699153  2661.637       58.73144  2419.088       79.34931  2955.514       87.34245  -51.74506      11.39831  
1 1 1 -2  7  7  o 348.2805 3.619233  1214.011       25.20912  1222.445       35.85132  1205.762       35.45414  2.391571       7.238466  
1 1 1 -2  7  8  o 612.7358 6.806381  3772.363       82.66108  3820.927       110.1727  3709.814       125.0332  9.286804       13.61276  
1 1 1 -2  7  9  o 258.8494 2.695373  665.1744       13.86208  713.3655       21.09985  628.5792       18.38687  16.36313       5.390745  
1 1 1 -2  7  10 o 345.3373 3.586254  1193.301       24.76803  1200.696       35.24738  1186.087       34.81125  2.112305       7.172509  
1 1 1 -2  7  11 o 126.5477 1.349998  160.1176       3.416074  158.2749       4.772919  162.0530       4.891374  -1.492477      2.699996  
1 1 1 -2  7  12 o 406.3267 4.251376  1641.426       34.30788  1564.273       45.47570  1743.347       52.26756  -21.98166      8.502752  
1 1 1 -2  7  13 o 157.6399 2.352269  248.4829       7.413928  244.9453       10.33112  252.2392       10.64571  -2.312042      4.704538  
1 1 1 -2  7  14 f 350.3925 5.151007  1216.145       35.75169  1323.449       55.31253  1139.148       46.85461  26.21338       10.30201  
1 1 1 -2  7  15 o 428.3333 4.454271  1834.760       38.12078  1794.217       52.54282  1879.819       55.39179  -9.966797      8.908543  
1 1 1 -2  7  16 o 135.9916 1.450154  182.3337       3.898635  201.8115       6.094813  168.8446       5.072026  12.11774       2.900308  
1 1 1 -2  7  17 o 492.8172 5.129363  2430.477       50.51900  2494.590       73.18021  2372.104       69.82700  12.38651       10.25873  
1 1 1 -2  7  18 o 76.71669 0.8714261 58.50220       1.331234  55.27171       1.784436  62.55667       1.999097  -4.747475      1.742852  
1 1 1 -2  7  19 o 305.8435 3.186747  930.2573       19.38330  883.9422       25.83165  989.9398       29.32340  -17.29611      6.373494  
1 1 1 -2  7  20 o 172.5528 1.818491  297.8230       6.275359  299.1076       8.930074  296.5697       8.820338  0.7347412      3.636982  
1 1 1 -2  7  21 f 361.5889 3.756767  1308.488       27.15067  1283.595       37.59946  1335.611       39.24722  -7.168945      7.513535  
1 1 1 -2  7  22 o 87.85175 1.074308  73.89615       1.787482  67.66678       2.162271  87.34150       3.176683  -11.19282      2.148615  
1 1 1 -2  7  23 o 20.96637 0.6038480 4.397810       0.2530872 4.329823       0.3618635 4.462910       0.3541014 -0.3174076     1.207696  
1 1 1 -2  7  24 o 203.3275 2.131586  412.7897       8.651601  399.5139       11.80577  428.1896       12.71520  -7.040421      4.263172  
1 1 1 -2  7  25 o 131.7150 1.411140  172.6735       3.702345  182.9850       5.544054  164.3733       4.974020  7.059708       2.822280  
1 1 1 -2  7  26 f 332.5550 3.462231  1107.750       23.00746  1083.939       31.75396  1134.065       33.38197  -7.492401      6.924461  
1 1 1 -2  7  27 o 344.8781 3.590713  1192.842       24.76674  1188.832       34.90214  1196.910       35.15009  -1.163940      7.181427  
1 1 1 -2  7  28 o 384.9580 4.006541  1486.623       30.83618  1508.818       44.31569  1465.790       42.93498  5.545197       8.013083  
1 1 1 -2  7  29 o 87.44310 0.9885383 76.27060       1.725093  79.56147       2.542282  73.46222       2.348522  3.485878       1.977077  
1 1 1 -2  7  30 o 67.44766 0.8112300 44.84788       1.083192  50.00256       1.683906  41.20940       1.414741  6.516472       1.622460  
1 1 1 -2  7  31 o 50.17780 0.8515806 25.07865       0.7979906 25.47535       1.413811  24.89318       0.9666941 0.5762672      1.703161  
1 1 1 -2  7  32 o 129.8972 2.803395  168.9418       7.283066  168.9418       7.283066  ?              ?         ?              ?         
1 1 1 -2  7  33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  7  34 o 20.26358 1.443480  4.107931       0.5850014 4.107931       0.5850014 ?              ?         ?              ?         
1 1 1 -2  7  35 o 186.9156 2.792734  350.0412       10.42478  340.0510       14.28669  361.4177       15.24573  -5.671173      5.585467  
1 1 1 -2  7  36 o 77.13240 1.110199  58.60086       1.589377  62.03341       2.876126  57.09181       1.907009  3.181503       2.220398  
1 1 1 -2  7  37 o 141.4446 1.518388  200.2122       4.292566  196.0409       5.942896  204.7625       6.206919  -3.073456      3.036775  
1 1 1 -2  7  38 o 127.5818 1.380514  163.0282       3.522565  162.7328       4.976641  163.3248       4.986691  -0.2315826     2.761027  
1 1 1 -2  7  39 o 20.50973 0.7525219 4.137149       0.3045691 5.230301       0.4621789 3.298044       0.4049281 4.709148       1.505044  
1 1 1 -2  7  40 o 39.95465 0.6582348 15.95567       0.5255929 16.35643       0.7613989 15.59086       0.7264344 0.9571533      1.316470  
1 1 1 -2  7  41 o 113.1962 1.244665  127.8549       2.808918  122.0983       3.794472  134.8340       4.177983  -5.603973      2.489330  
1 1 1 -2  7  42 o 28.51449 0.6763173 8.128010       0.3854146 8.333534       0.5581288 7.940670       0.5328655 0.6880493      1.352635  
1 1 1 -2  7  43 o 49.73960 0.7163683 24.74812       0.7123882 25.17394       1.023989  24.34871       0.9917236 0.8283043      1.432737  
1 1 1 -2  7  44 o 22.77228 0.7504552 5.062461       0.3359230 6.617668       0.5183780 3.936558       0.4410653 5.883402       1.500910  
1 1 1 -2  7  45 o 68.91182 1.221398  47.56992       1.681368  48.76433       2.449485  46.50574       2.312086  1.627045       2.442797  
1 1 1 -2  7  46 o 41.00352 0.6987535 16.69286       0.5706097 14.93229       0.7697211 18.84082       0.8501949 -4.761997      1.397507  
1 1 1 -2  7  47 o 18.80527 0.8635312 3.575003       0.3217890 3.133465       0.4661976 3.976792       0.4447185 -2.243807      1.727062  
1 1 1 -2  7  48 o 33.79434 0.7035026 11.40811       0.4742422 10.29611       0.6547530 12.63529       0.6878282 -3.458679      1.407005  
1 1 1 -2  7  49 o 27.57430 0.7571579 7.601548       0.4144820 6.402600       0.5711770 8.935162       0.6024008 -4.589783      1.514316  
1 1 1 -2  7  50 o 45.23978 0.7247981 20.47374       0.6548334 20.98381       0.9567881 20.02428       0.8981404 1.055618       1.449596  
1 1 1 -2  7  51 f 30.68687 0.7435892 9.461925       0.4543214 8.419272       0.6417701 10.50938       0.6432474 -3.405403      1.487178  
1 1 1 -2  7  52 o 51.15654 0.7678507 26.22349       0.7851685 26.39273       1.131161  26.06612       1.090734  0.3150101      1.535701  
1 1 1 -2  7  53 o 52.16793 0.7812670 27.27301       0.8149155 26.38924       1.141477  28.19166       1.163776  -1.724979      1.562534  
1 1 1 -2  7  54 o 31.75350 0.7723218 10.11688       0.4900902 9.792146       0.6990668 10.43075       0.6872683 -1.006962      1.544644  
1 1 1 -2  7  55 o 47.45791 0.7733498 22.55518       0.7329109 23.17397       1.071885  22.01187       1.004389  1.215221       1.546700  
1 1 1 -2  7  56 o 38.24396 1.075283  14.60246       0.7146728 14.93187       1.428510  14.49249       0.8253941 0.4626160      2.150566  
1 1 1 -2  7  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  7  58 o 20.97698 1.299695  4.443847       0.5447795 4.704697       0.7773837 4.192121       0.7636684 1.217995       2.599389  
1 1 1 -2  7  59 o 28.81714 1.170044  8.374755       0.6743280 8.455107       0.9574432 8.295668       0.9498893 0.2746944      2.340089  
1 1 1 -2  7  60 o 27.44929 1.193537  7.561767       0.6514254 8.805285       0.9589216 6.496100       0.8877041 4.186003       2.387075  
1 1 1 -2  7  61 o 37.20413 1.739435  14.12554       1.288729  14.06875       1.742640  14.19409       1.914540  -0.9534454E-01 3.478871  
1 1 1 -2  8  1  o 421.8402 4.398406  1779.927       37.08225  1735.365       51.28084  1828.768       53.68625  -11.04623      8.796811  
1 1 1 -2  8  2  o 439.8270 4.564925  1930.345       40.03576  2020.848       59.42795  1855.138       54.17426  18.78284       9.129850  
1 1 1 -2  8  3  o 295.5651 3.073780  869.3752       18.08554  921.2522       27.18943  828.2079       24.22084  15.71960       6.147560  
1 1 1 -2  8  4  o 306.8232 3.192262  939.1399       19.53848  979.8178       28.90227  904.9043       26.51500  12.19156       6.384525  
1 1 1 -2  8  5  o 440.6022 4.575009  1930.240       40.07486  1828.912       53.31131  2061.888       60.76650  -26.36874      9.150019  
1 1 1 -2  8  6  o 378.5216 3.932875  1433.221       29.76007  1458.614       42.86807  1409.598       41.34732  6.463013       7.865750  
1 1 1 -2  8  7  o 464.9486 5.194141  2163.979       47.65654  2170.126       73.70150  2159.562       62.47449  1.027954       10.38828  
1 1 1 -2  8  8  o 249.0361 2.598124  619.4032       12.92299  638.7584       18.87415  602.3214       17.73108  7.310196       5.196247  
1 1 1 -2  8  9  o 421.6503 4.391578  1775.779       36.97236  1716.276       50.55226  1844.213       54.21311  -15.14148      8.783155  
1 1 1 -2  8  10 o 213.5483 2.234510  455.9844       9.540778  462.7160       13.69168  449.6303       13.30214  3.062241       4.469019  
1 1 1 -2  8  11 o 672.0375 7.001993  4508.737       93.72981  4323.716       126.0010  4737.967       140.2486  -30.62750      14.00399  
1 1 1 -2  8  12 o 457.9234 6.729668  2094.861       61.44966  2012.913       83.15034  2193.474       91.21426  -19.60846      13.45934  
1 1 1 -2  8  13 o 654.5411 9.646528  4238.727       124.5247  4704.878       196.5960  3926.401       160.9219  58.78021       19.29306  
1 1 1 -2  8  14 o 460.0950 4.782081  2118.037       43.96820  2158.872       63.71137  2080.904       60.75480  8.443787       9.564161  
1 1 1 -2  8  15 o 118.3176 1.276487  138.6717       2.997329  150.4047       4.594416  129.9780       3.954846  8.630341       2.552974  
1 1 1 -2  8  16 o 411.9232 4.274786  1698.052       35.20181  1670.341       48.91097  1727.831       50.70312  -6.959412      8.549572  
1 1 1 -2  8  17 o 600.0647 6.251385  3608.882       74.97646  3541.107       103.8314  3682.726       108.3803  -11.72321      12.50277  
1 1 1 -2  8  18 o 289.9306 3.019030  837.2578       17.43520  883.7521       26.10057  799.7933       23.42935  14.45490       6.038060  
1 1 1 -2  8  19 o 278.4908 2.900299  775.7817       16.14636  763.5914       22.42394  788.9072       23.26825  -4.536865      5.800598  
1 1 1 -2  8  20 o 91.19698 1.012444  81.36647       1.815669  73.95497       2.325321  92.94361       2.906234  -10.40849      2.024888  
1 1 1 -2  8  21 o 157.3561 1.664164  247.4694       5.233245  253.1661       7.582270  242.2869       7.232002  3.454285       3.328329  
1 1 1 -2  8  22 f 291.6080 3.036764  850.2806       17.68954  828.5213       24.31307  874.7550       25.78537  -7.904602      6.073529  
1 1 1 -2  8  23 f 61.03609 0.7633154 35.17939       0.8977061 45.25957       1.544173  30.03344       1.103303  12.47112       1.526631  
1 1 1 -2  8  24 o 216.1755 2.263623  467.5640       9.783108  474.8466       14.06826  460.7445       13.61374  3.254883       4.527246  
1 1 1 -2  8  25 o 179.6035 1.893190  322.7082       6.798393  318.3243       9.474857  327.3602       9.760251  -2.511337      3.786381  
1 1 1 -2  8  26 o 283.4586 2.955436  803.9762       16.73497  783.7716       23.00649  826.6791       24.38748  -7.535828      5.910872  
1 1 1 -2  8  27 o 178.4027 1.880862  318.1576       6.704673  310.6030       9.243653  326.5443       9.739442  -4.460510      3.761724  
1 1 1 -2  8  28 o 203.9505 2.627887  415.7599       10.06588  419.2513       17.60590  414.0644       12.26888  1.153351       5.255773  
1 1 1 -2  8  29 o 165.3445 2.481561  269.6891       8.101192  299.0195       12.73309  249.7420       10.50060  14.85063       4.963122  
1 1 1 -2  8  30 o 164.8838 2.472505  270.9179       8.118069  258.1082       10.88921  286.9456       12.18035  -8.712921      4.945009  
1 1 1 -2  8  31 o 110.3092 1.463107  123.2962       3.113469  127.9646       3.957269  115.7113       5.044151  5.571175       2.926214  
1 1 1 -2  8  32 o 196.5509 2.067702  386.8508       8.127720  384.5013       11.42193  389.2608       11.56813  -1.207169      4.135405  
1 1 1 -2  8  33 o 92.07968 1.035169  83.93227       1.891701  78.09062       2.494877  91.83307       2.901461  -7.456367      2.070338  
1 1 1 -2  8  34 o 196.7324 2.072245  387.0947       8.141331  375.8542       11.15346  399.9140       11.91099  -6.089645      4.144491  
1 1 1 -2  8  35 o 124.1472 1.345221  154.2730       3.340107  154.0965       4.722225  154.4498       4.725027  -0.1422424     2.690443  
1 1 1 -2  8  36 o 167.5055 2.186839  279.5701       6.838587  276.2840       8.274547  286.6515       12.14681  -2.905441      4.373678  
1 1 1 -2  8  37 f 181.5059 2.721946  331.2983       9.880983  331.1214       13.96751  331.4756       13.98014  -0.9664917E-01 5.443892  
1 1 1 -2  8  38 o 49.32790 0.9647318 23.95341       0.9429820 27.41303       1.459516  21.47443       1.235468  6.012505       1.929464  
1 1 1 -2  8  39 o 96.71184 1.529309  93.73175       2.957655  94.86665       4.224908  92.64104       4.141841  1.146141       3.058619  
1 1 1 -2  8  40 o 71.86341 1.056949  50.75968       1.405395  54.21614       2.562772  49.27319       1.680644  3.399048       2.113898  
1 1 1 -2  8  41 o 97.06128 1.091929  94.30347       2.118645  95.99201       3.053877  92.73671       2.941703  1.671227       2.183859  
1 1 1 -2  8  42 o 70.39212 0.9232399 49.77077       1.294960  47.29223       1.884526  51.98805       1.782435  -3.340355      1.846480  
1 1 1 -2  8  43 o 15.80753 0.9059572 2.495280       0.2823817 3.106084       0.4138280 1.963065       0.3862889 3.614059       1.811914  
1 1 1 -2  8  44 o 94.86993 1.076562  90.15884       2.041989  91.45578       2.933300  88.93936       2.844369  1.320084       2.153124  
1 1 1 -2  8  45 o 50.44176 0.7267279 25.40001       0.7318665 26.63699       1.074587  24.32982       0.9995167 2.283146       1.453456  
1 1 1 -2  8  46 o 32.88590 0.6900182 10.82579       0.4531312 10.83746       0.6596414 10.81537       0.6235309 0.3159714E-01  1.380036  
1 1 1 -2  8  47 o 23.63458 0.7687809 5.526267       0.3605097 6.611810       0.5413884 4.661426       0.4832296 4.122198       1.537562  
1 1 1 -2  8  48 f 24.70104 0.7650048 6.117290       0.3769580 6.029575       0.5510795 6.194422       0.5167711 -0.3363609     1.530010  
1 1 1 -2  8  49 o 62.66270 0.8227034 39.20256       1.028265  41.24721       1.523647  37.49245       1.393435  2.984428       1.645407  
1 1 1 -2  8  50 o 41.47568 0.7348241 17.16860       0.6080515 15.60684       0.8339545 18.94118       0.8884608 -4.014843      1.469648  
1 1 1 -2  8  51 f 18.79796 0.9423880 3.556497       0.3513228 3.453953       0.5281485 3.637885       0.4705207 -0.4963722     1.884776  
1 1 1 -2  8  52 o 32.10311 0.7604540 10.34408       0.4859518 9.094099       0.6807493 11.64289       0.6939191 -3.968321      1.520908  
1 1 1 -2  8  53 f 16.58500 1.084388  2.803948       0.3544635 2.403430       0.5208858 3.149390       0.4837464 -2.254721      2.168775  
1 1 1 -2  8  54 o 61.87841 1.078420  38.98120       1.240386  37.15535       2.179436  39.85595       1.508533  -2.297764      2.156840  
1 1 1 -2  8  55 o 40.21458 1.188313  16.20663       0.9463858 16.83800       1.454938  15.74357       1.246005  1.317024       2.376626  
1 1 1 -2  8  56 f 6.629258 1.887421  0.1089447      0.3898288 0.4882336      0.6152151 -0.1455072     0.5039004 2.452348       3.774843  
1 1 1 -2  8  57 o 33.64146 1.057378  11.36640       0.7104326 10.56116       0.9828314 12.24753       1.028104  -2.496838      2.114755  
1 1 1 -2  8  58 f 35.27811 1.079460  12.53410       0.7615132 12.70065       1.088459  12.37442       1.065783  0.4569092      2.158920  
1 1 1 -2  8  59 o 55.60911 1.155343  31.11376       1.283432  32.90820       1.869028  29.51262       1.765488  3.026070       2.310686  
1 1 1 -2  8  60 o 42.00551 1.108499  17.72987       0.9294399 16.63519       1.268066  19.00068       1.366274  -2.788410      2.216998  
1 1 1 -2  8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  9  1  o 618.6698 6.957501  3846.212       85.85381  3678.636       124.3476  3998.865       118.6817  -25.95233      13.91500  
1 1 1 -2  9  2  o 589.0277 6.137249  3468.334       72.15002  3360.640       98.33883  3593.895       106.1832  -19.71210      12.27450  
1 1 1 -2  9  3  o 161.4160 1.701025  260.1478       5.483601  268.4757       8.015938  252.8225       7.517960  4.847183       3.402050  
1 1 1 -2  9  4  o 602.1317 6.288405  3628.117       75.62134  3720.447       110.4490  3546.642       103.7541  14.35571       12.57681  
1 1 1 -2  9  5  o 514.8351 5.381447  2581.354       53.94319  2358.461       67.72405  2968.182       89.21841  -59.00281      10.76289  
1 1 1 -2  9  6  o 367.6656 3.817042  1352.728       28.06629  1360.378       39.94688  1345.269       39.44141  2.051208       7.634084  
1 1 1 -2  9  7  o 381.0446 3.958517  1450.712       30.12477  1409.838       41.30709  1497.150       44.02875  -11.43646      7.917035  
1 1 1 -2  9  8  f 558.2338 5.801603  3114.054       64.62906  3010.676       87.96927  3235.288       95.26458  -20.03656      11.60321  
1 1 1 -2  9  9  o 494.0038 5.131439  2443.735       50.69427  2458.848       72.27322  2429.099       71.12562  2.999542       10.26288  
1 1 1 -2  9  10 o 256.5294 2.675090  656.7755       13.69734  681.9003       20.14868  635.1871       18.67686  9.097031       5.350181  
1 1 1 -2  9  11 f 386.3991 8.039712  1495.880       62.03633  1453.697       84.98002  1544.008       90.77129  -11.59296      16.07942  
1 1 1 -2  9  12 o 439.8483 4.566302  1935.168       40.13559  1894.548       55.41665  1979.982       58.20667  -9.685333      9.132604  
1 1 1 -2  9  13 f 623.9505 6.483505  3902.719       80.89439  3870.746       113.2007  3936.086       115.6423  -5.201050      12.96701  
1 1 1 -2  9  14 o 569.8098 5.922697  3251.050       67.42371  3183.535       92.85043  3326.365       98.06626  -12.45911      11.84539  
1 1 1 -2  9  15 f 277.4234 2.888186  769.2346       16.00923  788.9280       23.26575  751.5245       22.06303  6.732147       5.776372  
1 1 1 -2  9  16 o 553.9662 5.748478  3068.592       63.53481  2964.017       86.34354  3192.078       93.82566  -20.46143      11.49696  
1 1 1 -2  9  17 o 116.0632 1.253320  134.5451       2.906247  138.4994       4.228286  131.0041       4.001215  3.228050       2.506639  
1 1 1 -2  9  18 o 436.3495 4.533493  1906.988       39.54805  1940.884       56.90459  1875.322       55.00268  7.481781       9.066985  
1 1 1 -2  9  19 o 153.4892 1.625465  235.3409       4.984216  229.3166       6.856395  242.0921       7.258250  -4.159027      3.250931  
1 1 1 -2  9  20 o 291.4867 3.035488  850.0204       17.68409  834.0321       24.47753  867.4771       25.57684  -5.721466      6.070976  
1 1 1 -2  9  21 o 322.1247 3.351132  1039.150       21.58589  1029.021       30.19305  1049.741       30.87241  -3.204285      6.702264  
1 1 1 -2  9  22 o 353.7136 3.679722  1251.545       25.98840  1215.015       35.55435  1293.455       38.08201  -11.03391      7.359444  
1 1 1 -2  9  23 o 381.0069 3.962749  1456.002       30.19668  1456.671       42.72277  1455.334       42.68636  0.1744385      7.925497  
1 1 1 -2  9  24 f 119.3673 1.287979  142.2878       3.070606  138.0685       4.211237  147.0774       4.486840  -3.770844      2.575957  
1 1 1 -2  9  25 o 140.9549 1.836130  199.9996       4.932772  194.9521       8.300913  202.7551       6.133119  -2.799438      3.672260  
1 1 1 -2  9  26 o 220.1873 3.268439  485.9540       14.39313  484.1602       20.28382  487.7731       20.42685  -0.8167572     6.536877  
1 1 1 -2  9  27 f 170.3798 2.548752  289.4053       8.651653  276.4542       11.63914  305.3972       12.93354  -8.465668      5.097505  
1 1 1 -2  9  28 o 160.0405 2.052295  259.9644       6.372061  272.4385       8.192183  240.8580       10.13877  9.902298       4.104589  
1 1 1 -2  9  29 o 63.09324 0.7777631 39.71935       0.9797279 41.36451       1.437862  38.29361       1.338551  2.432865       1.555526  
1 1 1 -2  9  30 o 220.1545 2.308355  484.9170       10.15394  497.2662       14.75512  473.8079       13.99471  5.308807       4.616709  
1 1 1 -2  9  31 o 130.5657 1.403963  170.5063       3.664866  167.8322       5.100924  173.3595       5.268967  -2.113907      2.807926  
1 1 1 -2  9  32 o 49.36851 0.6902282 23.89250       0.6742899 21.03929       0.8795401 27.96012       1.050168  -7.007774      1.380456  
1 1 1 -2  9  33 o 41.04224 0.6591854 16.49295       0.5353585 14.12338       0.7008505 19.81259       0.8295367 -6.929588      1.318371  
1 1 1 -2  9  34 o 86.98465 0.9912696 75.64176       1.723463  77.30723       2.490119  74.11036       2.387789  1.835823       1.982539  
1 1 1 -2  9  35 o 181.1289 1.916262  328.4254       6.934646  337.0792       10.08463  320.6629       9.551232  4.509384       3.832524  
1 1 1 -2  9  36 o 145.0394 1.553055  210.6427       4.503704  207.5554       6.276127  213.9203       6.466538  -2.186737      3.106111  
1 1 1 -2  9  37 o 39.14165 0.6613231 15.18205       0.5149116 16.74627       0.7792382 13.96968       0.6860254 3.544945       1.322646  
1 1 1 -2  9  38 f 76.29222 0.8994715 58.24141       1.372338  57.54753       1.925649  58.95753       1.956272  -0.9231339     1.798943  
1 1 1 -2  9  39 o 165.6016 2.151280  277.5796       6.800162  282.1729       8.478168  269.2945       11.38640  4.139725       4.302559  
1 1 1 -2  9  40 o 92.70255 1.481903  86.10044       2.745806  88.35851       3.969689  84.02905       3.802045  2.323845       2.963806  
1 1 1 -2  9  41 o 95.64819 1.518966  91.27203       2.893349  86.58704       3.881488  97.13062       4.340509  -5.476959      3.037932  
1 1 1 -2  9  42 f 65.73869 1.143120  43.21657       1.500936  41.72493       2.058784  44.90880       2.192842  -2.413315      2.286239  
1 1 1 -2  9  43 o 16.59442 1.046818  2.848444       0.3294657 2.451586       0.5398615 3.083967       0.4158937 -1.912910      2.093637  
1 1 1 -2  9  44 o 77.15981 0.9222461 59.58670       1.422108  60.84382       2.059798  58.44168       1.965820  1.550529       1.844492  
1 1 1 -2  9  45 o 108.2104 1.206537  117.4430       2.611131  116.5856       3.677247  118.3150       3.708343  -0.7963486     2.413074  
1 1 1 -2  9  46 f 32.67941 0.6994109 10.68255       0.4564993 10.86149       0.6655305 10.52356       0.6273361 0.5147896      1.398822  
1 1 1 -2  9  47 o 39.73859 0.7002689 15.81136       0.5562724 15.13951       0.7818927 16.49995       0.7915726 -1.711098      1.400538  
1 1 1 -2  9  48 o 26.30556 0.7442965 6.892540       0.3903170 7.416721       0.5812812 6.462135       0.5267255 1.810158       1.488593  
1 1 1 -2  9  49 o 9.132915 1.343392  0.8695222      0.2967683 -0.1372777     0.4318554 1.770390       0.4085048 -8.294790      2.686785  
1 1 1 -2  9  50 o 87.80925 1.034012  77.07284       1.810879  73.24292       2.452019  81.66809       2.685864  -4.767006      2.068025  
1 1 1 -2  9  51 o 72.46230 0.9108558 52.67701       1.319979  52.42257       1.873965  52.92757       1.859581  -0.3502274     1.821712  
1 1 1 -2  9  52 o 42.89984 0.8334647 18.65710       0.7021238 17.28076       1.078635  19.66908       0.9249043 -2.801846      1.666929  
1 1 1 -2  9  53 o 25.83580 1.344479  6.564067       0.6822482 7.579473       1.097658  5.924846       0.8709085 3.156111       2.688957  
1 1 1 -2  9  54 o 49.89239 0.7874542 24.96119       0.7854876 24.05166       1.101652  25.90173       1.120277  -1.851517      1.574908  
1 1 1 -2  9  55 o 41.75949 0.8905786 17.75404       0.7180249 16.51327       1.157475  18.53019       0.9154567 -2.452522      1.781157  
1 1 1 -2  9  56 o 31.42218 0.9920784 9.845620       0.6171167 10.47316       0.9542747 9.394540       0.8090622 1.688637       1.984157  
1 1 1 -2  9  57 o 34.33727 1.054032  11.84599       0.7230167 12.27683       1.053822  11.46281       0.9938151 1.172386       2.108065  
1 1 1 -2  9  58 o 43.87635 1.068968  19.29068       0.9355970 20.85508       1.384544  17.97601       1.269232  3.253654       2.137936  
1 1 1 -2  9  59 o 14.46717 1.787525  2.209216       0.4934467 1.530877       0.6902582 2.918195       0.7056754 -4.989270      3.575050  
1 1 1 -2  9  60 o 36.69659 1.086590  13.56723       0.7970852 14.16760       1.144529  13.00180       1.110729  1.579285       2.173180  
1 1 1 -2  9  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  10 1  o 588.5812 6.123679  3406.076       70.86716  3140.630       90.84187  3818.792       113.2723  -57.34375      12.24736  
1 1 1 -2  10 2  o 514.7049 5.351855  2651.735       55.05362  2612.427       76.21158  2694.633       79.61504  -7.950470      10.70371  
1 1 1 -2  10 3  o 59.75685 0.7235641 35.63909       0.8635454 36.99766       1.262542  34.44483       1.183739  2.135902       1.447128  
1 1 1 -2  10 4  o 92.85024 1.021582  84.77637       1.872278  94.94417       2.948931  77.90986       2.423367  9.171951       2.043164  
1 1 1 -2  10 5  o 503.6806 5.232259  2527.813       52.47023  2412.912       70.33598  2671.994       78.78975  -25.63202      10.46452  
1 1 1 -2  10 6  o 453.4882 4.720810  2025.685       42.24724  1868.277       54.66370  2259.167       66.57516  -42.98715      9.441621  
1 1 1 -2  10 7  o 405.0103 4.855420  1641.960       39.31925  1664.754       56.39992  1620.406       54.84434  5.459930       9.710840  
1 1 1 -2  10 8  o 545.1763 8.029753  2975.514       87.37993  2869.962       119.1458  3098.358       128.5354  -20.79553      16.05951  
1 1 1 -2  10 9  o 387.8127 5.703681  1493.078       43.89392  1613.268       67.28773  1404.046       57.91262  26.86456       11.40736  
1 1 1 -2  10 10 o 689.0367 7.181755  4718.316       98.18103  4435.205       129.4534  5101.683       150.6405  -48.03638      14.36351  
1 1 1 -2  10 11 o 299.5123 3.120289  897.4416       18.68826  887.2789       26.14526  908.0580       26.72258  -3.464691      6.240578  
1 1 1 -2  10 12 o 473.6718 4.926924  2234.858       46.46452  2123.505       62.25846  2374.859       69.80939  -26.44144      9.853848  
1 1 1 -2  10 13 o 238.6539 2.490736  566.0972       11.82149  537.0602       15.75087  603.5511       17.88865  -13.91638      4.981473  
1 1 1 -2  10 14 o 174.1772 1.834916  302.2890       6.371358  317.4047       9.478019  289.8269       8.605906  7.912033       3.669831  
1 1 1 -2  10 15 o 415.9706 4.316746  1728.515       35.82903  1797.844       52.86921  1669.632       48.72403  15.35577       8.633492  
1 1 1 -2  10 16 o 370.8671 3.851226  1377.216       28.56226  1388.931       40.78070  1365.936       40.01640  3.089935       7.702453  
1 1 1 -2  10 17 f 246.2899 2.572212  606.9835       12.66935  610.5286       18.04121  603.5344       17.79565  1.417480       5.144425  
1 1 1 -2  10 18 o 135.6398 1.447866  183.9290       3.926107  180.7721       5.457417  187.3156       5.652424  -2.410858      2.895733  
1 1 1 -2  10 19 o 129.1972 1.385887  165.7116       3.559524  177.9929       5.401928  156.2870       4.732157  8.395782       2.771773  
1 1 1 -2  10 20 o 155.0188 1.642530  239.5556       5.077381  251.0075       7.536170  230.0364       6.870858  6.758148       3.285061  
1 1 1 -2  10 21 o 75.20028 0.8681042 56.34781       1.302331  53.75364       1.766846  59.43399       1.927121  -3.775970      1.736208  
1 1 1 -2  10 22 o 249.6835 3.184933  627.2920       15.10234  616.2389       25.65677  633.1522       18.68170  -3.540115      6.369866  
1 1 1 -2  10 23 o 147.8726 2.224924  218.1185       6.560439  228.6485       9.739887  209.3737       8.875907  6.502182       4.449848  
1 1 1 -2  10 24 o 29.05849 0.8636988 8.250532       0.4925093 6.294178       0.6487334 10.91218       0.7566894 -7.945311      1.727398  
1 1 1 -2  10 25 o 157.4980 2.060000  245.0893       6.000326  240.0631       7.186727  256.6558       10.90225  -5.208633      4.120000  
1 1 1 -2  10 26 o 363.7873 3.787988  1327.611       27.55360  1311.563       38.45752  1344.538       39.49662  -4.498444      7.575975  
1 1 1 -2  10 27 o 92.09163 1.032715  83.24330       1.874959  76.05332       2.417792  94.09031       2.969682  -9.787758      2.065430  
1 1 1 -2  10 28 o 269.5768 2.817357  727.9142       15.18238  740.4861       21.88478  716.2501       21.08007  4.472931       5.634714  
1 1 1 -2  10 29 o 142.8521 1.526138  204.0726       4.357881  200.2336       6.044458  208.2281       6.288746  -2.794174      3.052275  
1 1 1 -2  10 30 o 172.5044 1.824457  297.7823       6.292484  293.5113       8.765400  302.3238       9.038726  -2.548538      3.648914  
1 1 1 -2  10 31 f 55.88124 0.7317780 31.17558       0.8167545 32.30454       1.193184  30.18018       1.120381  1.900078       1.463556  
1 1 1 -2  10 32 o 108.3402 1.190014  117.0791       2.571986  122.4241       3.803804  112.5771       3.490972  4.538719       2.380029  
1 1 1 -2  10 33 o 104.8034 1.158087  109.2998       2.416716  116.1526       3.628762  103.8376       3.239732  5.867622       2.316174  
1 1 1 -2  10 34 f 88.35947 1.003782  77.61045       1.764828  83.00567       2.662928  73.38468       2.356718  5.437729       2.007564  
1 1 1 -2  10 35 o 111.3290 1.220834  124.0081       2.717144  126.0399       3.910954  122.1124       3.777752  1.759949       2.441669  
1 1 1 -2  10 36 o 190.4089 2.013893  362.2368       7.641421  381.1931       11.40244  346.7826       10.29536  8.970169       4.027787  
1 1 1 -2  10 37 o 105.3111 1.165829  111.0425       2.455434  110.3577       3.457814  111.7390       3.487392  -0.6546326     2.331657  
1 1 1 -2  10 38 o 230.2246 2.425489  532.9188       11.15937  544.9990       16.16902  521.9306       15.42099  4.940674       4.850978  
1 1 1 -2  10 39 o 54.98907 0.7388397 30.14888       0.8105260 31.76756       1.199060  28.78693       1.099866  2.706921       1.477679  
1 1 1 -2  10 40 f 99.01453 1.111239  98.19566       2.200473  97.41071       3.093670  98.99941       3.130534  -0.8002853     2.222477  
1 1 1 -2  10 41 o 83.59441 0.9721182 69.84086       1.623143  67.39511       2.226966  72.61255       2.370714  -3.113258      1.944236  
1 1 1 -2  10 42 o 23.19414 0.7347746 5.302289       0.3381298 6.286704       0.5141092 4.551839       0.4488769 3.737158       1.469549  
1 1 1 -2  10 43 o 73.17389 1.090589  52.35545       1.474090  50.37286       1.757222  57.06429       2.708112  -4.503418      2.181178  
1 1 1 -2  10 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  10 45 o 32.59166 0.9395301 10.42496       0.6043447 8.394875       0.7977840 13.15866       0.9257711 -7.298573      1.879060  
1 1 1 -2  10 46 o 72.57942 1.137130  52.67098       1.613641  53.69559       2.579888  52.01257       2.068111  1.107491       2.274260  
1 1 1 -2  10 47 o 60.97144 0.8114167 37.24814       0.9891860 37.17788       1.415116  37.31528       1.383268  -0.1153450     1.622833  
1 1 1 -2  10 48 o 69.62196 0.8764658 48.58809       1.220303  48.50261       1.737294  48.67135       1.714471  -0.1233673     1.752932  
1 1 1 -2  10 49 o 37.31438 0.7249671 13.96757       0.5402796 13.41969       0.7742516 14.48755       0.7542812 -1.432636      1.449934  
1 1 1 -2  10 50 f 54.68447 0.8644965 29.97377       0.9260978 30.05616       1.466418  29.91912       1.194433  0.9433365E-01  1.728993  
1 1 1 -2  10 51 o 51.14633 1.143934  26.31629       1.165955  26.00896       1.717912  26.57877       1.587605  -0.5775986     2.287868  
1 1 1 -2  10 52 f 33.15579 0.9394615 10.53430       0.5844791 9.687078       0.7008951 12.46845       1.059012  -4.145197      1.878923  
1 1 1 -2  10 53 o 24.07624 0.8441559 5.770271       0.4048778 6.393739       0.6051674 5.265073       0.5447532 2.335623       1.688312  
1 1 1 -2  10 54 o 33.44017 0.8409194 11.39410       0.5534151 9.406078       0.8025771 13.19622       0.7641319 -5.672668      1.681839  
1 1 1 -2  10 55 o 32.94048 0.9628750 10.88081       0.6277773 11.05258       0.9627920 10.75377       0.8279991 0.4299431      1.925750  
1 1 1 -2  10 56 o 20.75979 1.261377  4.366848       0.5206581 3.844200       0.7387043 4.882807       0.7339620 -2.502670      2.522754  
1 1 1 -2  10 57 f 10.58771 2.043156  1.193083       0.4581202 0.8094836      0.6641763 1.541215       0.6327270 -2.919933      4.086313  
1 1 1 -2  10 58 f 23.90228 1.197007  5.788526       0.5656364 4.726134       0.7901344 6.905289       0.8101006 -4.553171      2.394015  
1 1 1 -2  10 59 o 35.34152 1.097697  12.59304       0.7757726 12.89806       1.105004  12.29659       1.089379  0.8466988      2.195395  
1 1 1 -2  10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  11 1  o 267.6963 2.791257  716.2567       14.93272  733.4025       21.63337  700.6528       20.63789  6.111328       5.582513  
1 1 1 -2  11 2  o 316.9655 3.295305  1002.898       20.84663  1040.887       30.68475  970.3336       28.40970  11.11423       6.590610  
1 1 1 -2  11 3  o 341.2502 3.549772  1163.360       24.18952  1199.620       35.40372  1131.613       33.12786  9.947693       7.099543  
1 1 1 -2  11 4  o 553.6887 5.776804  2991.235       62.54736  2716.711       79.12224  3448.608       102.1278  -65.81677      11.55361  
1 1 1 -2  11 5  o 190.8788 2.002476  364.4171       7.644313  366.3030       10.86767  362.5703       10.75460  0.9772949      4.004951  
1 1 1 -2  11 6  o 411.7811 4.272283  1697.277       35.18056  1682.259       49.28971  1712.874       50.22924  -3.708710      8.544566  
1 1 1 -2  11 7  o 256.3616 3.802794  656.9550       19.47624  640.6305       26.79930  675.2278       28.35348  -6.734528      7.605587  
1 1 1 -2  11 8  o 156.5521 1.658674  245.0743       5.192427  247.9089       7.429308  242.3675       7.260020  1.769196       3.317348  
1 1 1 -2  11 9  f 457.0624 4.742931  2079.106       43.12015  1973.829       57.50694  2214.317       65.17200  -26.21826      9.485862  
1 1 1 -2  11 10 o 62.58186 0.7636288 37.96517       0.9360447 45.14093       1.523760  33.61613       1.186259  9.207108       1.527258  
1 1 1 -2  11 11 o 300.6401 3.128949  904.0667       18.80518  919.2826       27.08696  889.9091       26.12803  4.876862       6.257897  
1 1 1 -2  11 12 o 228.9659 2.391674  522.9380       10.92406  545.3571       16.15650  504.0571       14.82690  9.009430       4.783348  
1 1 1 -2  11 13 o 105.0258 1.147639  110.2790       2.409992  111.8951       3.456722  108.7505       3.361748  1.496689       2.295277  
1 1 1 -2  11 14 o 326.1578 3.390693  1064.382       22.10674  1046.918       30.68473  1083.230       31.87662  -5.552460      6.781386  
1 1 1 -2  11 15 o 117.9451 1.271310  138.9565       2.995831  135.4154       4.125938  142.9053       4.356987  -3.174034      2.542619  
1 1 1 -2  11 16 o 106.6150 1.162787  113.0277       2.467870  120.2595       3.711720  107.2977       3.303951  6.076729       2.325574  
1 1 1 -2  11 17 o 412.5626 4.288070  1706.206       35.38043  1696.218       49.75800  1716.419       50.31767  -2.436768      8.576139  
1 1 1 -2  11 18 o 226.0190 2.364089  511.2613       10.68644  509.8636       15.06807  512.6757       15.15816  -0.6209869     4.728177  
1 1 1 -2  11 19 o 238.2011 3.084303  556.6721       13.42862  596.7855       25.04571  540.4882       15.90854  11.65665       6.168607  
1 1 1 -2  11 20 o 16.83062 1.017426  2.788433       0.3396757 3.218874       0.5219473 2.472201       0.4473763 2.217703       2.034853  
1 1 1 -2  11 21 o 155.9388 2.338082  243.2824       7.287914  238.7438       10.10652  248.1993       10.51919  -3.024628      4.676163  
1 1 1 -2  11 22 o 233.5248 3.030962  534.5596       12.90958  518.2663       15.26556  575.4664       24.18832  -12.03224      6.061924  
1 1 1 -2  11 23 o 312.1173 3.251904  973.2258       20.24104  936.4971       27.41105  1017.268       30.01634  -12.87262      6.503808  
1 1 1 -2  11 24 o 118.5938 1.282962  140.6915       3.042878  141.2215       4.327935  140.1734       4.279042  0.4413910      2.565923  
1 1 1 -2  11 25 o 108.0385 1.182625  116.3212       2.547901  111.3336       3.447715  122.3228       3.781992  -5.082314      2.365250  
1 1 1 -2  11 26 o 143.5772 1.531178  205.3859       4.381520  196.3471       5.907475  216.4379       6.532350  -6.987717      3.062356  
1 1 1 -2  11 27 o 175.3123 1.851981  307.6260       6.493268  306.0511       9.136465  309.2332       9.229985  -0.9058380     3.703962  
1 1 1 -2  11 28 o 165.6775 1.755666  273.7003       5.799197  262.3598       7.837218  287.4236       8.621351  -7.549149      3.511333  
1 1 1 -2  11 29 o 90.50926 1.019267  81.92071       1.844639  80.77064       2.575412  83.13226       2.643340  -1.303833      2.038533  
1 1 1 -2  11 30 o 43.52032 0.6607999 18.74284       0.5721072 16.69832       0.7654975 21.32975       0.8610728 -5.320160      1.321600  
1 1 1 -2  11 31 o 187.2932 1.975339  351.3015       7.397777  355.3098       10.59322  347.4856       10.33560  2.080872       3.950678  
1 1 1 -2  11 32 o 186.9924 1.974116  349.8509       7.374436  359.5584       10.74065  341.1936       10.14305  4.890564       3.948232  
1 1 1 -2  11 33 o 105.9621 1.169480  111.0778       2.455454  121.5998       3.795685  103.5056       3.219975  8.523972       2.338959  
1 1 1 -2  11 34 o 118.2212 1.287555  139.8926       3.043926  138.3708       4.262985  141.4757       4.347791  -1.310562      2.575110  
1 1 1 -2  11 35 f 26.42106 0.6632815 6.990783       0.3497685 6.853990       0.5084577 7.113662       0.4819045 -0.4919167     1.326563  
1 1 1 -2  11 36 o 156.0131 1.665443  244.0269       5.196481  242.9519       7.317010  245.1210       7.381279  -0.6916199     3.330886  
1 1 1 -2  11 37 o 79.23351 0.9257563 62.24788       1.456528  67.60958       2.226413  58.23627       1.925813  5.904762       1.851513  
1 1 1 -2  11 38 o 53.92639 0.7301269 29.01015       0.7856265 30.36458       1.159934  27.86221       1.067856  2.317196       1.460254  
1 1 1 -2  11 39 f 21.71935 0.7411883 4.725585       0.3209250 4.657653       0.4713779 4.784278       0.4381540 -0.2926636     1.482377  
1 1 1 -2  11 40 o 100.5457 1.214106  101.6042       2.429701  97.99921       3.579925  104.6830       3.308354  -3.340912      2.428213  
1 1 1 -2  11 41 o 19.07831 0.8144379 3.558189       0.3065856 4.488697       0.4735118 2.886528       0.4022963 4.195721       1.628876  
1 1 1 -2  11 42 o 51.43800 0.7291504 26.44852       0.7496009 25.25475       1.039365  27.74251       1.082119  -2.416225      1.458301  
1 1 1 -2  11 43 o 65.22658 0.8270594 42.59985       1.078866  41.97673       1.519429  43.23345       1.532144  -0.9626236     1.654119  
1 1 1 -2  11 44 o 97.09613 1.105144  94.20392       2.140921  90.09057       2.907424  99.07623       3.164300  -4.605118      2.210287  
1 1 1 -2  11 45 o 39.69652 0.6990184 15.72868       0.5535792 16.42889       0.8184334 15.13819       0.7515892 1.621677       1.398037  
1 1 1 -2  11 46 o 50.90952 0.8107431 25.95570       0.8180411 25.89204       1.085761  26.03929       1.244108  -0.1319084     1.621486  
1 1 1 -2  11 47 o 41.16161 0.9542702 16.96759       0.7850733 17.77386       1.132567  16.22184       1.089224  1.880894       1.908540  
1 1 1 -2  11 48 o 25.56129 1.416789  0.000000       0.000000  ?              ?         6.555361       0.7242990 ?              ?         
1 1 1 -2  11 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  11 50 o 31.54909 1.072435  10.07261       0.6710747 10.79301       0.9144539 9.231870       0.9878796 2.484795       2.144870  
1 1 1 -2  11 51 o 43.21775 0.7500851 18.72901       0.6477200 18.51943       0.9337338 18.92340       0.8992670 -0.4711151     1.500170  
1 1 1 -2  11 52 f 34.35720 0.7599347 11.85878       0.5210398 11.29125       0.7497996 12.38876       0.7245711 -1.600121      1.519869  
1 1 1 -2  11 53 o 14.35781 1.205572  2.058420       0.3446898 2.315157       0.5151684 1.850331       0.4637982 1.607925       2.411145  
1 1 1 -2  11 54 o 20.25436 1.108707  4.120607       0.4480030 4.223849       0.6605659 4.032670       0.6096380 0.4619293      2.217413  
1 1 1 -2  11 55 o 33.78739 1.038161  11.48703       0.6998277 10.46530       0.9805686 12.54775       0.9991032 -3.077984      2.076322  
1 1 1 -2  11 56 o 16.44191 1.429802  2.738080       0.4691507 2.692957       0.6831232 2.778363       0.6454380 -0.2707920     2.859604  
1 1 1 -2  11 57 o 56.37183 1.137734  31.92348       1.280074  30.35303       1.743074  33.76192       1.885950  -2.987686      2.275467  
1 1 1 -2  11 58 o 24.07822 1.210834  5.806072       0.5761843 7.180350       0.8547069 4.661272       0.7800906 5.210093       2.421667  
1 1 1 -2  11 59 f 58.74005 1.178457  34.84222       1.384452  34.79697       1.956920  34.88755       1.958903  -0.7651901E-01 2.356914  
1 1 1 -2  11 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  12 1  o 163.3001 2.439774  266.6442       7.964864  262.4320       11.07087  271.1637       11.46764  -2.671143      4.879547  
1 1 1 -2  12 2  o 247.1521 3.649497  610.8820       18.02682  624.7745       26.09056  598.1918       24.93616  5.367401       7.298994  
1 1 1 -2  12 3  o 446.7197 6.565894  2001.491       58.65746  2014.898       83.59299  1988.487       82.32977  2.935303       13.13179  
1 1 1 -2  12 4  o 280.3578 4.131127  784.8079       23.10747  757.9404       31.39986  816.5469       34.12813  -10.42340      8.262255  
1 1 1 -2  12 5  o 33.53022 0.6643673 11.19695       0.4444979 11.93378       0.6564429 10.57305       0.6040504 2.029030       1.328735  
1 1 1 -2  12 6  o 396.9324 4.122642  1577.337       32.72386  1563.458       45.83403  1591.767       46.73621  -3.556122      8.245284  
1 1 1 -2  12 7  o 441.3910 4.582689  1948.425       40.40162  1895.956       55.45518  2007.777       58.98068  -12.62216      9.165378  
1 1 1 -2  12 8  o 158.1025 1.671773  249.3709       5.274645  259.3988       7.773847  240.8156       7.180396  5.874115       3.343546  
1 1 1 -2  12 9  o 132.6602 1.417328  175.0100       3.742759  166.3042       5.009836  186.0065       5.630480  -7.423203      2.834656  
1 1 1 -2  12 10 f 253.9807 2.649098  644.9739       13.44758  658.5662       19.44370  632.5107       18.61862  5.122391       5.298196  
1 1 1 -2  12 11 o 333.4399 3.466509  1113.015       23.11566  1104.951       32.44843  1121.323       32.93802  -2.449097      6.933018  
1 1 1 -2  12 12 o 304.1463 3.163943  925.5088       19.23657  941.6742       27.72804  910.5090       26.70977  5.111389       6.327886  
1 1 1 -2  12 13 f 484.0010 5.028941  2345.830       48.61390  2414.182       70.99051  2285.472       66.70985  13.20889       10.05788  
1 1 1 -2  12 14 o 140.8464 1.499747  198.3770       4.223703  195.9698       5.897537  200.9119       6.051890  -1.753403      2.999495  
1 1 1 -2  12 15 o 219.5942 2.799204  486.5208       11.75488  469.5946       19.58496  496.0517       14.69634  -6.089554      5.598409  
1 1 1 -2  12 16 o 162.3389 2.432301  263.6643       7.894277  260.0402       10.98933  267.5285       11.34768  -2.301788      4.864603  
1 1 1 -2  12 17 o 225.7214 3.342037  509.6447       15.06748  524.9013       21.99426  496.1525       20.68339  6.343079       6.684074  
1 1 1 -2  12 18 o 261.7651 3.867610  684.7597       20.18972  716.0848       29.94246  658.6436       27.33984  10.90756       7.735219  
1 1 1 -2  12 19 o 92.32175 1.259833  85.32857       2.196984  85.46790       2.696639  85.05350       3.788782  0.2341995      2.519665  
1 1 1 -2  12 20 o 19.31042 0.6786501 3.685770       0.2543725 5.089069       0.3832166 2.580459       0.3401039 6.495255       1.357300  
1 1 1 -2  12 21 o 274.1641 2.859507  753.0208       15.67889  756.4069       22.28850  749.7038       22.05987  1.217224       5.719013  
1 1 1 -2  12 22 o 177.8516 1.875508  316.0496       6.662099  325.7822       9.731194  307.4640       9.139848  5.141251       3.751016  
1 1 1 -2  12 23 o 273.4082 2.853454  748.6276       15.59745  737.9207       21.71006  760.0498       22.42348  -4.030060      5.706909  
1 1 1 -2  12 24 o 299.6259 3.123351  899.4294       18.70718  884.0380       25.96418  916.0449       26.97677  -5.312866      6.246702  
1 1 1 -2  12 25 o 91.68474 1.027673  83.83521       1.879893  87.52011       2.776898  80.71767       2.554185  3.707542       2.055346  
1 1 1 -2  12 26 o 187.0944 1.971277  350.4254       7.376100  351.7624       10.47705  349.1114       10.38630  0.7066498      3.942554  
1 1 1 -2  12 27 o 72.52731 0.8587666 52.59825       1.245308  53.22840       1.787100  52.00344       1.736263  0.8440094      1.717533  
1 1 1 -2  12 28 o 100.4802 1.116944  99.55019       2.219506  110.5120       3.465341  91.92564       2.890097  9.241150       2.233889  
1 1 1 -2  12 29 o 110.9587 1.214374  123.1488       2.694163  124.7618       3.864788  121.6238       3.757712  1.412308       2.428748  
1 1 1 -2  12 30 o 86.28956 0.9841372 74.35877       1.696041  76.87844       2.478813  72.14090       2.325638  2.742783       1.968274  
1 1 1 -2  12 31 o 213.8498 2.247739  458.3897       9.612596  461.8052       13.71077  455.0880       13.48068  1.561661       4.495478  
1 1 1 -2  12 32 o 230.6095 2.421509  533.4238       11.16424  525.4504       15.53496  541.9400       16.05514  -3.548721      4.843018  
1 1 1 -2  12 33 f 30.06976 0.6469939 8.875356       0.3853913 10.64625       0.5920444 7.573189       0.5076813 5.108585       1.293988  
1 1 1 -2  12 34 o 104.1530 1.153466  108.5918       2.402693  107.9851       3.385221  109.2077       3.410765  -0.5860443     2.306933  
1 1 1 -2  12 35 o 51.60696 0.7094158 26.49667       0.7294843 28.32951       1.090617  25.01280       0.9813119 3.210873       1.418832  
1 1 1 -2  12 36 o 27.44178 0.6641158 7.265318       0.3578565 9.398825       0.5697179 5.875010       0.4599052 6.417887       1.328232  
1 1 1 -2  12 37 o 15.38350 0.8891629 2.386662       0.2713847 2.179216       0.3983483 2.566341       0.3707302 -1.259316      1.778326  
1 1 1 -2  12 38 o 36.28957 0.6567374 13.18213       0.4764403 12.77899       0.6756977 13.58074       0.6718948 -1.104771      1.313475  
1 1 1 -2  12 39 o 77.08913 1.281515  59.44741       1.973052  57.37917       2.704544  61.80055       2.884805  -2.855820      2.563030  
1 1 1 -2  12 40 o 145.7690 1.569455  213.1860       4.573390  216.7523       6.589596  209.8719       6.352422  2.339630       3.138910  
1 1 1 -2  12 41 o 49.32264 0.7193728 24.34251       0.7093381 24.57006       1.019776  24.12923       0.9873223 0.4454422      1.438746  
1 1 1 -2  12 42 o 6.871661 1.621033  0.4095577      0.2669201 0.6412624      0.4070305 0.2347346      0.3535567 2.149847       3.242067  
1 1 1 -2  12 43 o 49.71862 0.7414327 24.73303       0.7368717 23.62718       1.029431  25.89503       1.055236  -2.279259      1.482865  
1 1 1 -2  12 44 o 24.00769 0.7595369 5.795544       0.3631792 5.338009       0.5228533 6.222105       0.5048457 -1.842424      1.519074  
1 1 1 -2  12 45 o 78.73648 0.9461601 61.61103       1.481861  57.26214       1.973978  67.22630       2.243050  -6.303230      1.892320  
1 1 1 -2  12 46 o 28.11397 1.015001  8.032632       0.4988434 7.711807       0.9730560 8.147010       0.5810004 -0.8141537     2.030003  
1 1 1 -2  12 47 o 36.07890 1.090622  12.63680       0.7722614 15.41666       1.247786  10.91088       0.9831896 6.211636       2.181244  
1 1 1 -2  12 48 o 51.31097 0.7653155 26.36534       0.7850897 25.42423       1.095717  27.35822       1.125449  -1.881756      1.530631  
1 1 1 -2  12 49 o 45.24003 0.7424335 20.48126       0.6710265 19.18949       0.9316870 21.87355       0.9672620 -2.962906      1.484867  
1 1 1 -2  12 50 o 39.09769 0.8719636 15.58534       0.6659945 16.74011       0.8739806 13.98621       1.028486  3.540611       1.743927  
1 1 1 -2  12 51 f 33.37503 0.9837627 11.18103       0.6565595 11.34773       0.9387388 11.02140       0.9186189 0.4859581      1.967525  
1 1 1 -2  12 52 o 36.42827 1.003962  12.95568       0.7209872 16.13581       1.134156  10.79895       0.9340024 7.291313       2.007925  
1 1 1 -2  12 53 o 30.38739 0.9055960 9.033285       0.5291576 10.12348       0.9003974 8.458086       0.6540209 2.700975       1.811192  
1 1 1 -2  12 54 o 30.55267 1.028734  9.383261       0.6272316 8.565303       0.8757128 10.24495       0.8988174 -2.744370      2.057468  
1 1 1 -2  12 55 o 20.94392 1.223615  4.433358       0.5112522 4.113401       0.7279616 4.744772       0.7181772 -1.509676      2.447229  
1 1 1 -2  12 56 o 13.71419 1.742885  1.950897       0.4600475 2.599234       0.6747844 1.387819       0.6288523 4.591881       3.485770  
1 1 1 -2  12 57 f 10.52753 2.021266  1.158973       0.4487351 1.554366       0.6454727 0.7891253      0.6242726 3.129106       4.042531  
1 1 1 -2  12 58 f 28.64998 1.117692  8.252562       0.6346309 6.819299       0.8700535 9.882137       0.9277273 -5.329275      2.235384  
1 1 1 -2  12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  13 1  o 226.4371 3.349428  512.7719       15.15690  524.4946       21.95920  502.1050       20.94681  4.933411       6.698855  
1 1 1 -2  13 2  o 205.1017 2.148891  420.1758       8.803058  433.0334       12.85314  408.8156       12.08147  5.898727       4.297781  
1 1 1 -2  13 3  o 334.7048 4.274576  1118.100       26.82035  1110.729       32.61244  1133.505       47.14298  -3.210876      8.549152  
1 1 1 -2  13 4  o 529.3678 6.842688  2745.943       65.81163  2655.823       77.57819  2977.286       124.2963  -29.35895      13.68538  
1 1 1 -2  13 5  o 288.0112 4.243015  829.0737       24.39455  803.2167       33.29882  859.0266       35.83932  -9.653564      8.486030  
1 1 1 -2  13 6  f 188.2620 2.797983  354.3814       10.52728  362.3441       15.24304  347.1201       14.55632  4.036789       5.595965  
1 1 1 -2  13 7  o 234.4160 3.467858  550.0050       16.25465  557.3754       23.29228  543.0081       22.69448  3.057190       6.935716  
1 1 1 -2  13 8  o 206.1725 2.659189  421.8568       10.20317  434.9856       18.25982  415.8966       12.30308  4.571472       5.318379  
1 1 1 -2  13 9  o 237.2012 2.477657  562.8044       11.75019  571.2927       16.87908  554.8232       16.36731  3.466675       4.955314  
1 1 1 -2  13 10 f 122.4766 1.320307  148.3886       3.205356  162.0241       4.945180  138.5091       4.209328  9.595703       2.640614  
1 1 1 -2  13 11 o 220.5442 2.307338  486.6587       10.17624  482.5442       14.26281  490.9250       14.52349  -1.897324      4.614676  
1 1 1 -2  13 12 o 197.0124 2.558105  381.9093       9.259622  405.0526       17.07349  372.2657       11.02127  8.247864       5.116210  
1 1 1 -2  13 13 o 323.7296 4.770297  1051.379       30.88357  1058.209       43.98695  1044.738       43.37149  2.065613       9.540594  
1 1 1 -2  13 14 o 111.5178 1.718556  123.6457       3.813340  117.2763       5.092885  131.7732       5.753006  -6.493599      3.437112  
1 1 1 -2  13 15 o 245.6556 3.633122  604.0206       17.82998  620.6104       25.95953  589.2054       24.53179  6.361267       7.266244  
1 1 1 -2  13 16 f 234.1927 2.976598  554.6649       13.38014  569.0280       16.83516  530.0334       22.04648  8.425522       5.953196  
1 1 1 -2  13 17 o 244.6673 2.556267  599.0477       12.50200  610.3984       18.03749  588.5533       17.34388  4.451309       5.112534  
1 1 1 -2  13 18 o 77.07632 0.8876109 59.41779       1.368257  59.47036       1.940433  59.36581       1.929628  0.6774902E-01  1.775222  
1 1 1 -2  13 19 o 101.2106 1.115109  101.4523       2.239729  110.3605       3.434704  94.86218       2.954229  7.652153       2.230219  
1 1 1 -2  13 20 o 352.2502 3.666303  1244.413       25.82800  1250.648       36.73116  1238.315       36.32483  1.738983       7.332605  
1 1 1 -2  13 21 f 49.15260 0.6713009 24.06618       0.6585597 22.61483       0.8972833 25.76090       0.9696034 -3.199917      1.342602  
1 1 1 -2  13 22 o 73.20263 0.8623660 53.56844       1.262128  52.56628       1.757401  54.63593       1.813772  -1.413223      1.724732  
1 1 1 -2  13 23 o 57.12963 0.7351257 31.47810       0.8203905 38.15300       1.349122  27.56168       1.033411  9.267418       1.470251  
1 1 1 -2  13 24 f 215.5320 2.261292  464.4893       9.734975  478.4233       14.20682  452.1553       13.36627  6.075211       4.522585  
1 1 1 -2  13 25 o 164.5801 1.743719  271.0303       5.738260  267.5606       8.010389  274.6875       8.224081  -2.161240      3.487438  
1 1 1 -2  13 26 o 192.1577 2.026407  368.9605       7.773965  357.6418       10.62212  382.0161       11.40800  -6.324356      4.052815  
1 1 1 -2  13 27 o 188.2201 1.984141  354.7431       7.468969  353.4451       10.52463  356.0601       10.60122  -0.6927795     3.968282  
1 1 1 -2  13 28 o 77.17348 0.9018167 59.57244       1.391873  59.01753       1.958275  60.13900       1.978696  -0.7263260     1.803633  
1 1 1 -2  13 29 o 75.47510 0.8905697 56.68539       1.339193  60.31437       2.002804  53.75077       1.801034  4.345322       1.781139  
1 1 1 -2  13 30 o 132.9370 1.431289  176.9029       3.805398  176.2881       5.369834  177.5233       5.393537  -0.4639893     2.862577  
1 1 1 -2  13 31 o 228.9857 2.404665  526.1500       11.01188  522.4541       15.46126  529.9547       15.68748  -1.626022      4.809329  
1 1 1 -2  13 32 o 92.03352 1.038143  84.47575       1.905601  88.49202       2.823914  81.11777       2.582139  4.000153       2.076286  
1 1 1 -2  13 33 f 114.2224 1.250256  130.6362       2.856125  130.6266       4.046406  130.6457       4.031973  -0.8903503E-02 2.500512  
1 1 1 -2  13 34 o 81.69069 0.9476740 66.27579       1.539373  71.43278       2.333699  62.30360       2.048150  5.578636       1.895348  
1 1 1 -2  13 35 o 37.31780 0.6469100 13.86435       0.4811977 14.73616       0.7172585 13.15079       0.6488976 2.122536       1.293820  
1 1 1 -2  13 36 o 43.90249 0.6754478 19.27965       0.5927896 18.45407       0.8310965 20.13460       0.8457580 -1.913498      1.350896  
1 1 1 -2  13 37 o 107.1589 1.188041  114.7539       2.541546  110.5065       3.469522  119.6725       3.733563  -4.262260      2.376083  
1 1 1 -2  13 38 o 23.80740 0.9630879 5.690554       0.4556011 4.900744       0.6390378 6.507014       0.6497297 -3.372944      1.926176  
1 1 1 -2  13 39 o 23.43323 0.7234448 5.512181       0.3380029 5.194455       0.4879738 5.805216       0.4686293 -1.303957      1.446890  
1 1 1 -2  13 40 f 77.88892 0.9260624 60.65908       1.441253  58.56150       1.986393  62.99091       2.094370  -2.837364      1.852125  
1 1 1 -2  13 41 f 34.32185 0.6844513 11.79940       0.4694172 11.53915       0.6735113 12.04525       0.6546047 -0.7381859     1.368903  
1 1 1 -2  13 42 o 96.42880 1.096262  93.17056       2.113225  94.61546       3.044383  91.82699       2.935682  1.437172       2.192524  
1 1 1 -2  13 43 o 65.59431 0.9021151 43.18763       1.178442  44.03823       1.603583  42.18891       1.737610  1.419724       1.804230  
1 1 1 -2  13 44 o 96.04752 1.576694  91.72510       3.004194  84.46749       3.953645  101.6403       4.621175  -8.841919      3.153387  
1 1 1 -2  13 45 o 44.77693 1.077153  20.12101       0.9627874 20.07386       1.404807  20.16276       1.322125  -0.1085434     2.154306  
1 1 1 -2  13 46 o 43.70094 0.7223447 19.02261       0.6289737 20.32840       0.9404785 17.96597       0.8460089 2.695393       1.444689  
1 1 1 -2  13 47 o 23.40616 0.8254739 5.534329       0.3833914 4.944063       0.5566386 6.067082       0.5288246 -2.401756      1.650948  
1 1 1 -2  13 48 o 15.57690 1.076887  2.383779       0.3311507 2.996639       0.5093248 1.934990       0.4358487 3.397289       2.153774  
1 1 1 -2  13 49 o 20.35273 0.9017249 4.192924       0.3633109 3.820958       0.5383997 4.503906       0.4922895 -1.683489      1.803450  
1 1 1 -2  13 50 o 27.71909 0.7878730 7.720416       0.4356968 7.383867       0.6298288 8.029270       0.6033598 -1.167234      1.575746  
1 1 1 -2  13 51 f 44.58381 0.7626836 19.92528       0.6791231 18.53177       0.9504404 21.37893       0.9707313 -3.190548      1.525367  
1 1 1 -2  13 52 o 53.93565 0.8085286 29.19074       0.8718005 28.98156       1.248705  29.38966       1.217704  -0.3827324     1.617057  
1 1 1 -2  13 53 o 47.51672 1.034505  22.57302       0.9800838 21.06834       1.324145  24.39612       1.457532  -3.476791      2.069010  
1 1 1 -2  13 54 o 43.80929 1.037477  19.30486       0.9089347 19.54531       1.296493  19.07245       1.274641  0.5351982      2.074954  
1 1 1 -2  13 55 o 15.79491 1.491688  2.542249       0.4657237 2.083800       0.6535527 3.015235       0.6638331 -2.945265      2.983375  
1 1 1 -2  13 56 o 35.41206 1.051708  12.62565       0.7447203 12.57016       1.042034  12.68358       1.064720  -0.1548729     2.103417  
1 1 1 -2  13 57 o 13.36527 1.817196  1.907080       0.4697077 1.162941       0.6588555 2.676178       0.6698140 -5.754742      3.634393  
1 1 1 -2  13 58 o 33.12735 1.108879  11.06909       0.7342840 10.60339       1.034305  11.54230       1.042614  -1.414875      2.217758  
1 1 1 -2  14 1  o 278.5117 2.908527  775.5244       16.18452  757.3257       22.29248  795.8077       23.53474  -6.893707      5.817054  
1 1 1 -2  14 2  o 336.1803 3.496912  1131.763       23.51154  1134.954       33.35385  1128.610       33.14778  0.9406433      6.993823  
1 1 1 -2  14 3  o 251.4588 2.623602  632.6614       13.19161  640.2902       18.89623  625.4089       18.42423  2.953842       5.247204  
1 1 1 -2  14 4  o 253.2116 2.641344  640.6710       13.35780  623.4064       18.32297  660.2546       19.51488  -7.262817      5.282688  
1 1 1 -2  14 5  o 158.2375 1.680880  250.4502       5.319117  248.4389       7.463966  252.5258       7.582162  -1.290497      3.361761  
1 1 1 -2  14 6  o 502.1091 5.217839  2519.638       52.21424  2415.603       70.40568  2646.792       77.83639  -22.84738      10.43568  
1 1 1 -2  14 7  o 104.4455 1.407098  109.0637       2.766830  108.9591       3.382607  109.2753       4.809554  -0.1421356     2.814197  
1 1 1 -2  14 8  f 308.6935 4.554066  953.3833       28.05847  989.1415       41.29042  922.7045       38.24561  10.69360       9.108131  
1 1 1 -2  14 9  o 92.97421 2.965113  0.000000       0.000000  ?              ?         86.49656       5.513581  ?              ?         
1 1 1 -2  14 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  14 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  14 12 o 165.8846 2.480491  275.4514       8.229219  274.1145       11.57981  276.8154       11.69681  -0.8123474     4.960982  
1 1 1 -2  14 13 f 38.59772 0.6122196 14.69867       0.4694047 16.88370       0.7143344 13.03811       0.6227307 4.981262       1.224439  
1 1 1 -2  14 14 o 160.3662 1.697868  257.2927       5.445103  259.2645       7.764265  255.3844       7.638358  1.208252       3.395735  
1 1 1 -2  14 15 o 48.77134 0.6618626 23.35324       0.6386868 26.84448       0.9962980 20.91750       0.8321751 6.075462       1.323725  
1 1 1 -2  14 16 o 207.2592 2.174427  429.4018       9.002132  441.9170       13.12922  418.2978       12.36683  5.684647       4.348853  
1 1 1 -2  14 17 o 78.57359 0.9033375 61.35409       1.413088  57.85289       1.891808  65.77301       2.125333  -5.038254      1.806675  
1 1 1 -2  14 18 o 80.96188 0.9256856 65.14182       1.491699  69.69478       2.246775  61.55286       1.994795  5.026428       1.851371  
1 1 1 -2  14 19 o 132.0981 1.418810  174.5179       3.747395  177.0500       5.376771  172.1260       5.225692  1.862045       2.837621  
1 1 1 -2  14 20 o 285.2315 2.975635  814.3597       16.95714  835.8185       24.66405  795.1238       23.35177  7.099640       5.951270  
1 1 1 -2  14 21 o 157.5101 1.672748  248.2733       5.269495  248.3114       7.453732  248.2352       7.450651  0.2415466E-01  3.345496  
1 1 1 -2  14 22 o 75.98779 0.8895875 57.32087       1.344660  61.81066       2.033908  53.83475       1.792214  5.246086       1.779175  
1 1 1 -2  14 23 o 56.87613 0.8049080 31.75525       0.8934219 29.79678       1.130137  35.01880       1.458871  -4.587959      1.609816  
1 1 1 -2  14 24 f 238.5472 2.496788  569.9849       11.90914  563.0891       16.62381  577.2550       17.06915  -2.956970      4.993576  
1 1 1 -2  14 25 o 100.7258 1.119263  100.0088       2.228968  111.1296       3.484303  92.30506       2.899997  9.336792       2.238525  
1 1 1 -2  14 26 o 82.83303 0.9516081 68.59011       1.575632  69.96190       2.273863  67.32307       2.185333  1.591766       1.903216  
1 1 1 -2  14 27 o 74.97946 0.8862421 55.59268       1.318083  61.17377       2.027921  51.51025       1.734407  6.440163       1.772484  
1 1 1 -2  14 28 o 116.2951 1.267501  135.3450       2.948021  135.5420       4.184014  135.1507       4.154405  0.1676102      2.535002  
1 1 1 -2  14 29 o 127.6465 1.379853  162.0836       3.504388  172.7532       5.288922  153.7334       4.678867  7.434059       2.759706  
1 1 1 -2  14 30 o 106.5142 1.175222  113.5312       2.503102  114.5931       3.580370  112.5160       3.500813  0.9729156      2.350443  
1 1 1 -2  14 31 o 55.81353 0.7379130 30.24630       0.8078465 35.90370       1.308225  26.75934       1.027063  8.186581       1.475826  
1 1 1 -2  14 32 f 53.55734 0.7223119 28.65562       0.7731473 27.46437       1.070176  29.95619       1.118195  -2.325260      1.444624  
1 1 1 -2  14 33 o 91.33820 1.034696  83.28819       1.886023  86.74847       2.779740  80.33641       2.567377  3.502678       2.069393  
1 1 1 -2  14 34 o 117.8415 1.288413  138.5088       3.026403  132.1954       4.083285  146.2043       4.508144  -5.923363      2.576826  
1 1 1 -2  14 35 o 64.87500 0.8100422 42.10660       1.050835  41.20057       1.469757  43.05410       1.503010  -1.427345      1.620084  
1 1 1 -2  14 36 o 44.62871 0.6837991 19.67870       0.6064852 17.46056       0.8067300 22.56179       0.9197370 -5.711571      1.367598  
1 1 1 -2  14 37 o 50.68632 0.9221548 25.77521       0.9274513 26.15956       1.241430  25.28973       1.395229  0.8653297      1.844310  
1 1 1 -2  14 38 o 108.8566 1.207010  118.4785       2.623245  114.1774       3.583766  123.4428       3.850204  -4.238205      2.414021  
1 1 1 -2  14 39 o 83.24205 0.9712542 69.33367       1.616020  67.39338       2.238575  71.44522       2.335285  -2.428078      1.942508  
1 1 1 -2  14 40 o 46.28551 0.7026314 21.18135       0.6454267 23.56539       0.9907486 19.42362       0.8507137 4.467243       1.405263  
1 1 1 -2  14 41 o 67.80177 0.8471708 45.79633       1.143924  48.57053       1.715352  43.57449       1.535116  3.673225       1.694342  
1 1 1 -2  14 42 o 26.56189 1.129702  7.179737       0.5911855 6.230981       0.8754373 7.975127       0.8015636 -3.290012      2.259404  
1 1 1 -2  14 43 o 68.98314 1.245456  47.78548       1.718036  47.00072       2.436159  48.56195       2.423231  -1.133087      2.490911  
1 1 1 -2  14 44 f 10.54557 1.431658  1.150741       0.2887582 1.196454       0.4393713 1.115985       0.3831162 0.3476810      2.863316  
1 1 1 -2  14 45 f 62.41679 0.8218427 38.86541       1.022413  41.06914       1.524087  37.06221       1.378647  3.196751       1.643685  
1 1 1 -2  14 46 o 47.89744 0.7441623 22.98118       0.7123067 23.07273       1.028933  22.89691       0.9870780 0.1798058      1.488325  
1 1 1 -2  14 47 o 39.44122 0.7264390 15.25898       0.5663325 17.83985       0.8874151 13.48559       0.7356062 5.505444       1.452878  
1 1 1 -2  14 48 o 62.13805 0.8334783 38.59677       1.033120  40.28701       1.528450  37.17493       1.401849  2.489704       1.666957  
1 1 1 -2  14 49 o 42.48812 0.7487769 18.08974       0.6357325 18.19894       0.9196221 17.98979       0.8798209 0.2417793      1.497554  
1 1 1 -2  14 50 o 43.20319 0.7568417 18.72088       0.6534389 17.83444       0.9230155 19.61151       0.9251927 -2.056377      1.513683  
1 1 1 -2  14 51 o 8.202801 1.728356  0.6990432      0.3184840 0.3940820      0.4902362 0.9217427      0.4189312 -2.306453      3.456712  
1 1 1 -2  14 52 o 26.78135 0.9524049 7.220810       0.5080214 6.439352       0.7158936 8.013535       0.7210354 -2.938086      1.904810  
1 1 1 -2  14 53 o 7.001457 1.868356  0.2470020      0.3806818 0.6922071      0.5689639 -0.1138374     0.5122259 2.942839       3.736712  
1 1 1 -2  14 54 o 8.266903 1.843596  0.5183368      0.4235037 -0.3583053     0.6249117 1.262943       0.5759314 -5.289781      3.687192  
1 1 1 -2  14 55 o 24.94189 1.113458  6.218394       0.5531081 7.012736       0.8240977 5.567251       0.7461274 2.878521       2.226917  
1 1 1 -2  14 56 o 59.88490 1.163764  36.17153       1.393508  35.76984       1.945677  36.59459       1.996750  -0.6748161     2.327529  
1 1 1 -2  14 57 o 34.31686 1.091892  11.83471       0.7472731 10.65134       1.026743  13.16757       1.089670  -3.648907      2.183784  
1 1 1 -2  14 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  15 1  o 301.4296 3.139349  909.1737       18.91207  891.0074       26.15565  929.0770       27.37757  -6.294464      6.278699  
1 1 1 -2  15 2  o 197.7171 2.079393  390.7845       8.215491  400.0824       11.91885  382.3683       11.33969  4.473251       4.158786  
1 1 1 -2  15 3  o 136.9558 1.464264  185.6625       3.976056  202.1201       6.125450  173.6794       5.226843  10.37607       2.928528  
1 1 1 -2  15 4  o 298.9563 3.113632  894.4879       18.60591  878.6652       25.79163  911.6572       26.86675  -5.499603      6.227264  
1 1 1 -2  15 5  f 214.4004 2.729444  464.9277       11.24932  442.6725       18.45298  478.0903       14.19128  -8.323532      5.458888  
1 1 1 -2  15 6  o 231.6373 3.427496  537.5681       15.87846  539.0677       22.53180  536.0886       22.38003  0.6400909      6.854992  
1 1 1 -2  15 7  o 254.9895 3.768753  648.1402       19.12820  617.2396       25.60146  687.1879       28.77925  -13.64505      7.537505  
1 1 1 -2  15 8  o 107.1636 1.655499  114.8143       3.546134  117.1647       5.120658  112.6482       4.915604  2.105179       3.310998  
1 1 1 -2  15 9  o 192.7236 2.454202  376.3595       9.131831  390.3145       11.61778  353.7993       14.77167  9.523132       4.908405  
1 1 1 -2  15 10 o 186.3229 1.961378  346.9261       7.300258  357.1082       10.64063  337.8714       10.03428  5.154007       3.922757  
1 1 1 -2  15 11 o 311.8932 3.249709  974.7739       20.26889  966.5229       28.40617  983.3318       28.93008  -2.682159      6.499419  
1 1 1 -2  15 12 o 169.0279 2.220315  277.8172       6.788567  267.4648       7.969402  305.1940       12.95973  -11.07561      4.440630  
1 1 1 -2  15 13 o 15.68817 1.018700  2.461337       0.3195658 2.482072       0.4573228 2.441552       0.4467318 0.1290541      2.037400  
1 1 1 -2  15 14 o 139.3290 2.105586  193.8618       5.855654  187.5126       7.984564  201.2504       8.613435  -4.919403      4.211172  
1 1 1 -2  15 15 o 159.2053 2.387058  253.7480       7.599800  251.6245       10.65290  255.9489       10.84515  -1.354507      4.774115  
1 1 1 -2  15 16 o 228.0161 2.925684  520.7169       12.57852  521.4620       21.79154  520.3447       15.40374  0.1001434      5.851368  
1 1 1 -2  15 17 o 168.0534 2.161434  285.3993       6.966530  273.1070       11.50439  292.5168       8.754077  -5.823669      4.322869  
1 1 1 -2  15 18 o 231.4069 2.422502  535.7974       11.20296  547.8541       16.23022  524.8253       15.48294  4.959808       4.845004  
1 1 1 -2  15 19 o 82.93144 0.9509889 67.71755       1.559259  75.77278       2.438956  62.14934       2.027789  8.210091       1.901978  
1 1 1 -2  15 20 o 100.2313 1.110592  100.4889       2.226199  99.77943       3.128392  101.2168       3.168635  -0.7165909     2.221185  
1 1 1 -2  15 21 o 41.70528 0.6634450 16.86115       0.5447225 20.89408       0.8656488 14.21733       0.7008864 8.003551       1.326890  
1 1 1 -2  15 22 o 219.5359 2.302257  482.6840       10.10739  486.7946       14.42618  478.7207       14.16539  1.832291       4.604515  
1 1 1 -2  15 23 o 153.5791 1.637232  235.2016       5.013551  246.7527       7.447442  225.6282       6.779938  6.864777       3.274465  
1 1 1 -2  15 24 o 116.0166 1.266513  134.5935       2.937229  137.1213       4.235831  132.2523       4.076489  2.095863       2.533026  
1 1 1 -2  15 25 o 102.9943 1.140833  105.9582       2.346964  109.4714       3.425622  102.8503       3.221949  3.210899       2.281666  
1 1 1 -2  15 26 o 190.7489 2.012650  364.5100       7.678045  365.6082       10.90065  363.4287       10.81662  0.5686035      4.025299  
1 1 1 -2  15 27 o 29.92354 0.6635074 8.930934       0.3959067 9.267323       0.5870373 8.650283       0.5362028 1.030436       1.327015  
1 1 1 -2  15 28 o 203.1270 2.139620  413.5685       8.689516  407.7188       12.10639  419.7846       12.47978  -2.953232      4.279241  
1 1 1 -2  15 29 o 77.08415 0.9120328 59.11815       1.400682  55.83532       1.883139  63.18341       2.095572  -4.761726      1.824066  
1 1 1 -2  15 30 o 158.2136 1.686460  249.3628       5.310129  236.6875       7.099367  265.4598       8.000435  -9.051270      3.372921  
1 1 1 -2  15 31 o 100.9119 1.124316  101.9333       2.268797  102.7779       3.241754  101.1223       3.176373  0.8179398      2.248631  
1 1 1 -2  15 32 o 52.34112 0.7168753 27.40235       0.7501496 27.65535       1.078046  27.16486       1.044493  0.4677315      1.433751  
1 1 1 -2  15 33 o 109.4755 1.210054  119.4275       2.639072  113.4679       3.547672  126.8114       3.948910  -6.074928      2.420109  
1 1 1 -2  15 34 f 24.25830 0.7016152 5.823514       0.3380833 6.444566       0.5162649 5.357201       0.4473498 2.239052       1.403230  
1 1 1 -2  15 35 o 114.6173 1.260739  131.6374       2.889666  132.5526       4.125990  130.7564       4.048327  0.7788925      2.521479  
1 1 1 -2  15 36 f 36.54414 0.7445193 13.37550       0.5417856 13.47385       0.7342161 13.25794       0.8027658 0.2980614      1.489039  
1 1 1 -2  15 37 o 148.3067 1.595662  219.9115       4.717055  210.3920       6.365304  231.5073       7.025263  -7.060699      3.191323  
1 1 1 -2  15 38 o 73.16855 0.8869202 53.57954       1.297519  52.25982       1.809215  54.97718       1.861855  -1.854042      1.773840  
1 1 1 -2  15 39 f 75.10641 1.129991  55.52359       1.549509  59.06944       2.890223  54.09332       1.835604  3.230316       2.259982  
1 1 1 -2  15 40 o 68.99815 1.239566  47.72322       1.709764  45.78864       2.384547  49.77023       2.452842  -2.879097      2.479131  
1 1 1 -2  15 41 o 64.42213 1.019624  41.54028       1.238954  41.41374       1.516898  41.79385       2.147358  -0.2423325     2.039247  
1 1 1 -2  15 42 o 10.39528 1.431446  1.174152       0.2846796 0.7465980      0.4271414 1.515844       0.3818505 -3.794934      2.862892  
1 1 1 -2  15 43 o 34.88394 0.7036650 12.16618       0.4899349 12.49086       0.7198650 11.88600       0.6687052 0.8632240      1.407330  
1 1 1 -2  15 44 f 58.61659 0.7952499 34.34700       0.9312252 32.49618       1.282454  36.41130       1.354391  -3.333382      1.590500  
1 1 1 -2  15 45 o 23.17096 0.8083022 5.411010       0.3716359 5.099915       0.5519283 5.669048       0.5026644 -1.232847      1.616604  
1 1 1 -2  15 46 o 30.89060 0.7413150 9.546343       0.4558431 9.715411       0.6810408 9.409123       0.6135479 0.4892426      1.482630  
1 1 1 -2  15 47 o 79.44833 0.9645586 63.30614       1.532139  61.69410       2.133816  65.02177       2.201303  -2.085350      1.929117  
1 1 1 -2  15 48 o 55.65862 0.7968797 30.91242       0.8839369 32.75734       1.318839  29.40769       1.191056  2.994270       1.593759  
1 1 1 -2  15 49 o 26.99168 0.8028162 7.340871       0.4312893 6.697968       0.6209784 7.939991       0.5994608 -2.303391      1.605632  
1 1 1 -2  15 50 o 45.83402 0.7729235 21.04747       0.7074236 21.44393       1.033571  20.69805       0.9703185 0.8051796      1.545847  
1 1 1 -2  15 51 f 35.65700 0.8301930 12.78286       0.5905769 13.75332       0.8325439 11.79991       0.8378857 2.739956       1.660386  
1 1 1 -2  15 52 o 16.68800 1.405331  2.822976       0.4669436 2.709116       0.6851800 2.921712       0.6380517 -0.6495323     2.810663  
1 1 1 -2  15 53 o 47.25426 1.057422  22.28754       0.9952280 24.78328       1.489215  20.27336       1.337851  4.739765       2.114845  
1 1 1 -2  15 54 o 21.12325 1.201759  4.494854       0.5071248 4.661002       0.7389934 4.346969       0.6971959 0.7321224      2.403518  
1 1 1 -2  15 55 o 14.94658 1.676659  2.244871       0.4698966 3.385635       0.7286555 1.432699       0.6148205 6.673687       3.353319  
1 1 1 -2  15 56 o 10.51109 2.253789  1.170463       0.4974040 0.9747065      0.9064736 1.254798       0.5949783 -0.6759214     4.507578  
1 1 1 -2  15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  16 1  f 129.1735 1.695169  167.6908       4.160670  164.5740       7.060097  169.3492       5.149992  -1.870804      3.390337  
1 1 1 -2  16 2  f 198.2208 2.947199  391.7287       11.63603  413.3845       17.42372  374.2951       15.63318  9.822800       5.894397  
1 1 1 -2  16 3  f 93.69128 1.471819  87.76188       2.756470  86.16827       3.824137  89.48528       3.976819  -1.768578      2.943638  
1 1 1 -2  16 4  o 237.2514 3.513732  562.3312       16.62241  540.4594       22.48753  588.6768       24.68047  -10.10573      7.027463  
1 1 1 -2  16 5  o 160.1307 2.084640  256.1155       6.271100  255.0940       7.645416  258.2160       10.96317  -0.9242096     4.169279  
1 1 1 -2  16 6  o 180.5682 1.903351  325.2390       6.854655  312.9056       9.289356  339.9824       10.15646  -7.485077      3.806703  
1 1 1 -2  16 7  o 112.5415 1.224388  126.4413       2.751385  130.9883       4.032066  122.4791       3.763858  3.777863       2.448775  
1 1 1 -2  16 8  o 118.0154 1.278761  138.7656       3.008498  146.0390       4.476640  132.7750       4.062730  5.615395       2.557522  
1 1 1 -2  16 9  o 185.1599 1.949862  342.2555       7.204903  355.8990       10.61830  330.6139       9.808368  6.815125       3.899724  
1 1 1 -2  16 10 o 160.5242 1.702922  257.7547       5.465542  254.2273       7.617574  261.4974       7.846393  -2.261368      3.405843  
1 1 1 -2  16 11 o 128.2174 1.378765  164.4661       3.535627  164.2793       4.994974  164.6537       5.005305  -0.1458893     2.757529  
1 1 1 -2  16 12 f 179.5851 1.893841  322.7527       6.801953  321.3910       9.579659  324.1371       9.659670  -0.7633972     3.787682  
1 1 1 -2  16 13 o 241.1412 2.522419  581.7400       12.15492  568.9901       16.78189  595.8090       17.62866  -5.543869      5.044837  
1 1 1 -2  16 14 o 239.7896 2.508272  575.8230       12.02878  573.2138       16.93145  578.4819       17.09221  -1.095123      5.016543  
1 1 1 -2  16 15 o 316.8495 3.302911  1006.406       20.92587  995.3712       29.22918  1018.008       29.97211  -3.550629      6.605821  
1 1 1 -2  16 16 o 292.1808 3.745318  854.2638       20.53365  849.5581       24.99989  864.0202       35.99710  -2.106537      7.490637  
1 1 1 -2  16 17 o 242.6849 3.097019  594.7044       14.35259  605.1395       17.90518  575.9467       24.00598  6.189346       6.194037  
1 1 1 -2  16 18 o 286.0111 4.231005  821.5684       24.18794  837.6469       34.93267  806.7600       33.52459  5.340515       8.462009  
1 1 1 -2  16 19 o 94.35823 1.490799  89.09081       2.813338  89.71223       3.991281  88.47719       3.966160  0.6540451      2.981598  
1 1 1 -2  16 20 o 187.3619 2.794485  351.8083       10.46933  356.0992       14.99441  347.7266       14.62427  2.222916       5.588970  
1 1 1 -2  16 21 o 170.7031 2.221937  289.8406       7.079102  297.4981       12.58560  286.2967       8.561911  3.178436       4.443874  
1 1 1 -2  16 22 o 134.8082 1.451097  181.7367       3.909935  185.4283       5.650629  178.3456       5.415809  2.622620       2.902194  
1 1 1 -2  16 23 o 101.7271 1.129517  103.4205       2.295970  106.1676       3.333460  100.9411       3.166923  2.566193       2.259033  
1 1 1 -2  16 24 o 51.74159 0.7181579 26.64756       0.7410448 28.50959       1.100116  25.10087       1.002644  3.292873       1.436316  
1 1 1 -2  16 25 f 159.8143 1.700591  254.7582       5.417922  244.0914       7.316887  267.7057       8.061287  -7.366470      3.401183  
1 1 1 -2  16 26 f 71.38271 0.8585689 50.71306       1.221146  53.92060       1.825343  48.11452       1.642944  4.063728       1.717138  
1 1 1 -2  16 27 f 31.84536 0.6629977 10.15650       0.4211952 9.278983       0.5933504 11.04781       0.5979967 -2.777140      1.325995  
1 1 1 -2  16 28 o 89.79265 1.021160  80.64902       1.833063  81.94514       2.638922  79.44054       2.548145  1.392296       2.042320  
1 1 1 -2  16 29 o 107.8675 1.189944  116.4569       2.566358  117.9205       3.683118  115.0757       3.577925  1.314888       2.379887  
1 1 1 -2  16 30 o 138.7584 1.493510  192.8065       4.142481  189.0238       5.744917  196.9035       5.978786  -2.827744      2.987020  
1 1 1 -2  16 31 o 134.1561 1.448573  179.4655       3.870536  189.8015       5.799290  171.1633       5.197545  6.915237       2.897146  
1 1 1 -2  16 32 o 77.82571 0.9175921 60.14614       1.419663  64.91634       2.155314  56.49051       1.886789  5.402718       1.835184  
1 1 1 -2  16 33 o 200.3625 2.120727  403.7399       8.497519  406.5495       12.11400  401.0183       11.92289  1.361816       4.241454  
1 1 1 -2  16 34 o 74.46436 0.8935185 55.48178       1.330041  56.38247       1.917168  54.64606       1.846732  1.162849       1.787037  
1 1 1 -2  16 35 o 77.81448 1.291623  60.69458       2.009850  61.17813       2.871128  60.22995       2.814434  0.6053543      2.583246  
1 1 1 -2  16 36 o 172.4791 1.840626  297.8608       6.327878  285.0659       8.537724  313.4568       9.426011  -8.138412      3.681251  
1 1 1 -2  16 37 o 64.51337 1.192752  41.62425       1.537072  39.37378       2.113977  44.14854       2.238894  -3.691067      2.385503  
1 1 1 -2  16 38 o 62.45912 1.160452  39.05892       1.446980  40.01396       2.121295  38.22787       1.978805  1.418198       2.320904  
1 1 1 -2  16 39 o 44.24954 0.7091215 19.56778       0.6267526 18.22477       0.8684769 21.02742       0.9053999 -3.164913      1.418243  
1 1 1 -2  16 40 o 88.83810 1.030946  79.09692       1.831143  80.01083       2.629353  78.23622       2.551649  0.9920731      2.061892  
1 1 1 -2  16 41 o 89.23499 1.486644  79.96264       2.650877  77.00865       3.656588  83.23499       3.848588  -3.462196      2.973288  
1 1 1 -2  16 42 o 46.30424 0.7293969 21.44803       0.6745867 21.95991       0.9840910 20.99428       0.9265282 1.038342       1.458794  
1 1 1 -2  16 43 o 47.77739 0.7351763 22.85195       0.7019768 21.64360       0.9810506 24.11969       1.004868  -2.589371      1.470353  
1 1 1 -2  16 44 o 59.49625 0.8067564 35.48137       0.9598017 34.75697       1.359086  36.20211       1.355650  -1.214809      1.613513  
1 1 1 -2  16 45 o 55.99812 0.7912867 31.39617       0.8851258 32.08604       1.289434  30.78143       1.217201  1.157413       1.582573  
1 1 1 -2  16 46 o 64.86029 0.8528735 42.19174       1.106183  41.82466       1.573916  42.55005       1.555012  -0.5613937     1.705747  
1 1 1 -2  16 47 o 68.29125 0.8786894 46.54873       1.195369  49.34116       1.789172  44.29725       1.606550  3.669601       1.757379  
1 1 1 -2  16 48 o 34.57504 0.7682646 11.99806       0.5301685 11.08430       0.7480871 12.92009       0.7514673 -2.654404      1.536529  
1 1 1 -2  16 49 o 127.8685 1.422204  165.0818       3.636123  166.7177       5.212935  163.5319       5.074374  1.211655       2.844407  
1 1 1 -2  16 50 f 34.87225 0.9020314 11.87038       0.6084686 10.96626       0.7569112 13.52192       1.023004  -3.621910      1.804063  
1 1 1 -2  16 51 o 24.45657 1.027759  6.013856       0.5018400 6.498267       0.7174766 5.549869       0.7021884 1.935997       2.055518  
1 1 1 -2  16 52 o 26.30591 1.055672  6.914013       0.5532621 7.552741       0.8278739 6.398521       0.7437333 2.176067       2.111343  
1 1 1 -2  16 53 o 31.94223 1.030193  10.27414       0.6575811 10.20437       0.9477847 10.33891       0.9131049 -0.2185822     2.060387  
1 1 1 -2  16 54 o 23.96296 1.158580  5.743247       0.5519283 6.709960       0.8192504 4.939843       0.7468526 3.674616       2.317160  
1 1 1 -2  16 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  16 56 o 46.77512 1.347093  22.56849       1.195895  20.76352       1.994954  23.58094       1.494113  -3.172802      2.694185  
1 1 1 -2  17 1  o 261.0273 3.319770  688.3005       16.57104  701.5685       20.71721  664.7346       27.61033  7.234253       6.639540  
1 1 1 -2  17 2  o 204.9289 2.152135  419.6211       8.806873  433.5542       12.89393  407.4366       12.05768  6.358109       4.304270  
1 1 1 -2  17 3  o 62.70114 0.7735101 38.66900       0.9593139 35.18598       1.248840  43.68272       1.498335  -6.774063      1.547020  
1 1 1 -2  17 4  o 279.1370 2.911454  780.6081       16.25331  777.0782       22.87063  784.2100       23.10244  -1.272186      5.822908  
1 1 1 -2  17 5  o 314.8793 3.280660  993.8201       20.65983  990.2802       29.10803  997.4138       29.32804  -1.127106      6.561321  
1 1 1 -2  17 6  f 187.5173 1.974885  351.9164       7.406271  353.4305       10.52395  350.4306       10.42485  0.7984009      3.949770  
1 1 1 -2  17 7  o 123.3527 1.332340  150.8231       3.262549  163.3054       4.992857  141.5217       4.309979  8.822762       2.664679  
1 1 1 -2  17 8  f 92.27137 1.037561  84.51585       1.903293  79.64491       2.530490  90.86105       2.888158  -6.074844      2.075123  
1 1 1 -2  17 9  o 149.4627 1.591758  223.4289       4.756516  220.2107       6.622930  226.8570       6.835569  -2.220657      3.183516  
1 1 1 -2  17 10 o 121.0048 1.309806  146.2465       3.165728  150.8785       4.620985  142.1499       4.345715  3.603668       2.619613  
1 1 1 -2  17 11 f 54.71553 0.7184805 29.88795       0.7853382 28.86528       1.079471  31.03788       1.144666  -1.984947      1.436961  
1 1 1 -2  17 12 f 120.3198 1.305730  144.0262       3.127822  136.9293       4.190375  152.9550       4.700212  -6.653633      2.611460  
1 1 1 -2  17 13 f 160.9165 1.709411  259.0381       5.499796  263.0141       7.895496  255.2904       7.665380  2.396286       3.418822  
1 1 1 -2  17 14 o 105.6130 1.163444  110.2964       2.435392  102.6291       3.196309  120.9086       3.760360  -8.647804      2.326888  
1 1 1 -2  17 15 o 104.1684 1.149997  108.4909       2.394819  106.6366       3.327965  110.4823       3.448838  -1.844551      2.299994  
1 1 1 -2  17 16 o 94.63239 1.061974  88.35933       1.989434  97.96914       3.092138  81.57172       2.598723  8.658264       2.123948  
1 1 1 -2  17 17 o 113.7796 1.242692  129.4286       2.826289  126.9440       3.919050  132.1211       4.079743  -2.272911      2.485383  
1 1 1 -2  17 18 o 56.70434 0.7433727 31.94519       0.8396035 29.88258       1.126775  34.52008       1.258947  -4.088074      1.486745  
1 1 1 -2  17 19 o 77.00244 0.9030939 58.98375       1.385518  55.77293       1.863129  62.95626       2.072368  -4.662086      1.806188  
1 1 1 -2  17 20 o 57.87644 0.7545091 33.49742       0.8732630 33.91909       1.246764  33.09133       1.223524  0.7148743      1.509018  
1 1 1 -2  17 21 o 175.5923 2.287578  306.2722       7.474494  301.6672       9.010612  316.4319       13.38375  -4.058136      4.575156  
1 1 1 -2  17 22 o 92.56491 1.469849  85.71587       2.719778  84.26215       3.775752  87.28364       3.921055  -1.628685      2.939698  
1 1 1 -2  17 23 o 176.5159 2.643253  312.2127       9.320925  304.3289       12.82106  321.0505       13.57476  -4.702438      5.286506  
1 1 1 -2  17 24 o 39.53038 0.9128742 15.62724       0.7215298 15.36040       1.006180  15.90973       1.035235  -0.6942902     1.825748  
1 1 1 -2  17 25 o 30.83045 0.8859324 9.445098       0.5443758 10.36902       0.8111499 8.687946       0.7343010 2.724794       1.771865  
1 1 1 -2  17 26 o 98.43753 1.422650  96.18810       2.715671  100.4528       4.463944  93.68238       3.421690  3.402214       2.845300  
1 1 1 -2  17 27 o 94.68127 1.156774  89.25590       2.150116  92.24306       3.406864  87.27850       2.771872  2.600586       2.313549  
1 1 1 -2  17 28 o 26.45440 0.7079516 6.609391       0.3622048 9.644102       0.5907298 4.781168       0.4585057 9.188139       1.415903  
1 1 1 -2  17 29 o 45.14590 0.6852731 20.31557       0.6171815 21.41983       0.9132369 19.38722       0.8373458 2.249371       1.370546  
1 1 1 -2  17 30 o 44.80228 0.6847180 20.04539       0.6125763 20.72464       0.8969330 19.45157       0.8386303 1.419167       1.369436  
1 1 1 -2  17 31 o 116.8932 1.282762  136.5722       2.992877  131.7089       4.079394  142.2414       4.404401  -4.486557      2.565524  
1 1 1 -2  17 32 o 81.75307 0.9544525 66.73923       1.557265  69.51900       2.294153  64.36398       2.120673  3.145020       1.908905  
1 1 1 -2  17 33 o 81.39801 0.9545702 66.03104       1.549318  62.49745       2.094041  70.30488       2.302961  -4.785637      1.909140  
1 1 1 -2  17 34 o 148.7134 3.201627  0.000000       0.000000  ?              ?         222.8961       9.522495  ?              ?         
1 1 1 -2  17 35 o 76.96761 1.322719  59.33674       2.034836  57.19627       2.818357  61.66746       2.940940  -2.895142      2.645438  
1 1 1 -2  17 36 f 52.04391 0.9117565 26.49549       0.8824064 25.47356       1.057590  28.83683       1.600806  -3.198074      1.823513  
1 1 1 -2  17 37 o 9.578383 1.401307  1.029525       0.2719915 0.3727827      0.4053991 1.567158       0.3667991 -5.853843      2.802615  
1 1 1 -2  17 38 o 67.22961 0.8474121 45.19805       1.138484  43.43268       1.572067  47.14502       1.650947  -2.755722      1.694824  
1 1 1 -2  17 39 o 64.86376 0.8325492 42.11745       1.079287  42.80088       1.560727  41.49109       1.494134  1.004913       1.665098  
1 1 1 -2  17 40 f 64.46870 1.210574  41.36700       1.553502  38.05085       2.077594  45.57246       2.339646  -5.803219      2.421148  
1 1 1 -2  17 41 o 67.91808 0.8631164 46.21532       1.171917  46.71210       1.685962  45.75091       1.630129  0.7025757      1.726233  
1 1 1 -2  17 42 o 33.27546 0.7207874 11.11701       0.4781486 10.70029       0.6968356 11.48778       0.6573031 -1.186424      1.441575  
1 1 1 -2  17 43 o 76.16605 0.9313788 58.18180       1.418554  58.32097       2.025766  58.04789       1.987069  0.1749268      1.862758  
1 1 1 -2  17 44 o 9.877309 1.516808  0.9334525      0.3081883 1.667563       0.4837725 0.4320298      0.3998182 5.987928       3.033615  
1 1 1 -2  17 45 o 94.37786 1.094466  89.44653       2.064912  90.65314       2.973406  88.32253       2.869802  1.219238       2.188932  
1 1 1 -2  17 46 o 35.41652 0.7441407 12.38445       0.5228738 14.14615       0.8035235 11.09059       0.6886148 4.301281       1.488281  
1 1 1 -2  17 47 o 47.70442 0.7653318 22.79740       0.7295896 21.52286       1.017911  24.14393       1.046264  -2.743893      1.530664  
1 1 1 -2  17 48 o 47.55503 0.7727336 22.68408       0.7342736 22.60296       1.060361  22.75882       1.017787  -0.1695557     1.545467  
1 1 1 -2  17 49 f 18.42028 1.030851  3.349697       0.3760526 3.876146       0.5835487 2.975800       0.4917850 2.427177       2.061701  
1 1 1 -2  17 50 o 23.13952 1.097707  5.401949       0.5060427 5.947532       0.7157639 4.856707       0.7155409 2.357018       2.195414  
1 1 1 -2  17 51 o 35.87762 1.017141  12.92109       0.7272557 11.46995       1.005453  14.51332       1.053198  -4.231647      2.034282  
1 1 1 -2  17 52 o 21.26753 1.227309  4.530169       0.5183714 5.358674       0.7678249 3.836297       0.7026754 3.561356       2.454619  
1 1 1 -2  17 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  17 54 o 45.36813 1.075171  20.74711       0.9755552 20.62196       1.379936  20.87215       1.379351  -0.2758865     2.150342  
1 1 1 -2  17 55 o 46.58595 1.088019  21.80701       1.011991  23.23088       1.484124  20.56966       1.383510  2.829510       2.176038  
1 1 1 -2  18 1  f 208.7236 2.191438  435.9225       9.143674  443.7850       13.17887  428.6246       12.69681  3.622467       4.382877  
1 1 1 -2  18 2  o 128.3129 1.382114  163.3945       3.523461  153.9396       4.671956  175.8653       5.365598  -8.535454      2.764228  
1 1 1 -2  18 3  o 125.9968 1.360216  158.7561       3.426504  161.3509       4.923529  156.3190       4.771655  1.995010       2.720432  
1 1 1 -2  18 4  o 185.1812 1.952824  341.8976       7.208311  327.7951       9.729429  359.0574       10.73239  -8.423676      3.905647  
1 1 1 -2  18 5  o 117.4779 1.276409  138.0597       2.998882  137.2309       4.218663  138.9064       4.263815  -0.7125702     2.552817  
1 1 1 -2  18 6  f 174.1739 1.841281  303.3174       6.408555  296.5864       8.846120  310.7519       9.296799  -4.059006      3.682562  
1 1 1 -2  18 7  f 137.1281 1.469961  188.0377       4.029583  191.5139       5.806121  184.8073       5.597014  2.442581       2.939922  
1 1 1 -2  18 8  o 26.50755 0.6449969 6.948949       0.3394017 5.888212       0.4559618 8.266964       0.5082585 -4.486622      1.289994  
1 1 1 -2  18 9  f 59.53456 0.7559207 35.34829       0.8982903 33.93078       1.224429  37.00050       1.321912  -2.577408      1.511841  
1 1 1 -2  18 10 o 26.51125 0.6594416 6.981961       0.3484324 6.306633       0.4719387 7.791154       0.5166001 -2.799513      1.318883  
1 1 1 -2  18 11 o 271.6661 2.837158  739.7045       15.41520  739.7380       21.79970  739.6711       21.80106  0.1232910E-01  5.674317  
1 1 1 -2  18 12 o 256.4562 2.681498  658.8886       13.75016  667.2596       19.71614  650.9618       19.18602  3.162766       5.362996  
1 1 1 -2  18 13 f 192.2331 2.025755  369.9918       7.788255  370.7581       11.04523  369.2338       10.98354  0.3951569      4.051510  
1 1 1 -2  18 14 o 323.0838 3.370211  1047.490       21.77626  1052.548       30.96889  1042.543       30.62653  1.535583       6.740422  
1 1 1 -2  18 15 o 155.8302 1.658483  242.1259       5.152594  254.1850       7.659759  232.1590       6.963620  7.054092       3.316966  
1 1 1 -2  18 16 o 139.1872 1.493343  193.7135       4.154289  198.1528       6.009309  189.6499       5.749409  3.049789       2.986686  
1 1 1 -2  18 17 o 111.2285 1.221517  123.4834       2.712165  128.4736       3.986908  119.1849       3.700273  4.170967       2.443034  
1 1 1 -2  18 18 f 208.8337 2.197217  436.8073       9.174188  430.8476       12.78399  443.1356       13.17328  -2.929749      4.394435  
1 1 1 -2  18 19 o 172.3242 1.827720  297.3122       6.297859  293.6618       8.797379  301.1496       9.019821  -2.166260      3.655441  
1 1 1 -2  18 20 o 214.5153 2.255723  460.4913       9.664344  447.6628       13.25607  475.0455       14.11966  -6.350571      4.511446  
1 1 1 -2  18 21 o 218.7154 2.299705  479.6427       10.05947  478.2621       14.18069  481.0411       14.27223  -0.6315155     4.599411  
1 1 1 -2  18 22 o 85.33311 0.9829802 72.09071       1.664460  78.83983       2.554844  67.11364       2.193959  6.863464       1.965960  
1 1 1 -2  18 23 f 110.6309 1.217661  122.4923       2.693918  123.5688       3.844324  121.4535       3.776143  0.9541321      2.435321  
1 1 1 -2  18 24 o 148.8332 1.594208  220.9923       4.729063  211.5143       6.378241  232.5639       7.047546  -7.044708      3.188415  
1 1 1 -2  18 25 o 73.81656 0.8853005 54.48550       1.306402  53.30776       1.814386  55.75343       1.882562  -1.654839      1.770601  
1 1 1 -2  18 26 o 86.93996 1.209340  76.44881       2.018052  78.51708       2.539912  72.90764       3.323447  3.256340       2.418681  
1 1 1 -2  18 27 o 39.09347 0.7970613 15.67742       0.6077283 18.16270       0.8212057 12.66835       0.9036066 7.029388       1.594123  
1 1 1 -2  18 28 o 57.20718 1.045988  32.73728       1.196198  31.83893       1.660945  33.70534       1.724185  -1.628738      2.091975  
1 1 1 -2  18 29 o 89.46111 1.436738  80.07703       2.566899  77.40803       3.516815  83.12010       3.755185  -3.177422      2.873477  
1 1 1 -2  18 30 o 71.99995 1.215919  51.93667       1.750850  52.26049       2.489950  51.61997       2.462430  0.4432678      2.431839  
1 1 1 -2  18 31 o 39.03155 1.269415  0.000000       0.000000  ?              ?         15.25179       0.9909444 ?              ?         
1 1 1 -2  18 32 o 71.41694 1.752444  0.000000       0.000000  ?              ?         51.12175       2.503084  ?              ?         
1 1 1 -2  18 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  18 34 o 48.48006 0.7207720 23.43997       0.6975385 21.70479       0.9557366 25.41777       1.020369  -3.826481      1.441544  
1 1 1 -2  18 35 o 40.89697 0.6943620 16.64827       0.5658547 17.80810       0.8456932 15.70811       0.7614058 2.563305       1.388724  
1 1 1 -2  18 36 o 51.36274 0.7422545 26.22476       0.7597935 23.94458       1.025659  28.99778       1.131080  -4.913528      1.484509  
1 1 1 -2  18 37 o 108.1044 1.208008  117.2160       2.611246  115.3019       3.646384  119.2310       3.741159  -1.807930      2.416016  
1 1 1 -2  18 38 o 41.67258 0.7115455 17.35963       0.5920058 15.96816       0.8208382 18.86803       0.8546292 -3.477242      1.423091  
1 1 1 -2  18 39 o 57.50969 1.148302  33.11462       1.318914  30.87956       1.818244  35.59658       1.916048  -4.089909      2.296604  
1 1 1 -2  18 40 o 32.86310 0.7239872 10.67897       0.4728049 12.24029       0.7175707 9.481063       0.6285349 4.191286       1.447974  
1 1 1 -2  18 41 f 84.37634 1.000476  71.00128       1.680496  75.63516       2.527493  67.32961       2.249828  4.890305       2.000951  
1 1 1 -2  18 42 f 49.49886 0.7501225 24.39591       0.7391933 26.10153       1.111821  23.04473       0.9895790 3.076485       1.500245  
1 1 1 -2  18 43 o 52.11480 0.7768854 27.14264       0.8084833 25.27228       1.111711  29.24232       1.177893  -3.802101      1.553771  
1 1 1 -2  18 44 o 61.21246 0.8280976 37.57170       1.013327  37.49527       1.454599  37.64376       1.412453  -0.1260796     1.656195  
1 1 1 -2  18 45 o 33.61197 0.7525274 11.32958       0.5047311 10.36219       0.7081507 12.32845       0.7195816 -2.923679      1.505055  
1 1 1 -2  18 46 o 63.90157 0.8596458 40.96354       1.098150  41.04574       1.577832  40.88630       1.529339  0.1183128      1.719292  
1 1 1 -2  18 47 f 64.56213 0.8654698 41.41419       1.111435  37.79672       1.480807  46.08113       1.681949  -6.385567      1.730940  
1 1 1 -2  18 48 o 73.30481 0.9355321 53.94920       1.370774  54.57693       1.977407  53.36848       1.901931  0.8117905      1.871064  
1 1 1 -2  18 49 o 44.34161 0.9721268 19.60504       0.8532553 18.74053       1.118622  20.80785       1.319470  -2.294502      1.944254  
1 1 1 -2  18 50 o 33.94414 1.023260  11.55746       0.6932503 12.08418       1.020820  11.10662       0.9444373 1.424328       2.046521  
1 1 1 -2  18 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  18 52 o 28.76464 1.076336  8.337119       0.6189764 8.096552       0.8769609 8.575946       0.8737776 -0.8340683     2.152673  
1 1 1 -2  18 53 o 48.79621 1.083905  24.00453       1.057703  24.15902       1.488399  23.84693       1.503350  0.3237305      2.167809  
1 1 1 -2  18 54 o 20.28193 1.311110  4.173197       0.5288031 3.640805       0.7434366 4.718394       0.7523235 -2.653687      2.622220  
1 1 1 -2  19 1  o 208.8410 2.193522  436.3228       9.154464  426.9769       12.64413  446.6189       13.27137  -4.688782      4.387045  
1 1 1 -2  19 2  o 58.36259 0.7460424 33.96343       0.8690733 32.50354       1.184152  35.66786       1.279487  -2.710197      1.492085  
1 1 1 -2  19 3  f 186.2071 1.963384  346.4770       7.300509  336.4065       9.995812  357.9901       10.68785  -5.781815      3.926768  
1 1 1 -2  19 4  o 23.96997 0.6904767 5.734022       0.3305274 5.529743       0.4527221 5.967198       0.4836852 -0.9122925     1.380953  
1 1 1 -2  19 5  o 260.8091 2.727163  680.6038       14.20572  662.1781       19.48730  701.4991       20.75216  -7.502502      5.454325  
1 1 1 -2  19 6  o 166.2409 1.762881  276.5717       5.860484  274.0601       8.208290  279.1832       8.370029  -1.537888      3.525762  
1 1 1 -2  19 7  o 160.8027 1.708455  257.2854       5.467314  244.5343       7.309682  273.4771       8.237018  -8.982544      3.416911  
1 1 1 -2  19 8  o 108.4572 1.191550  117.0507       2.573380  111.3619       3.451190  124.1743       3.861977  -5.901360      2.383100  
1 1 1 -2  19 9  o 57.68255 0.7453828 33.23316       0.8592544 34.45211       1.245263  32.12531       1.187157  2.016422       1.490766  
1 1 1 -2  19 10 o 114.8405 1.252136  131.7903       2.873214  135.4547       4.173977  128.4901       3.961054  3.029274       2.504272  
1 1 1 -2  19 11 o 21.18355 0.7245061 4.491248       0.3067369 4.605151       0.4295729 4.372758       0.4381369 0.5485935      1.449012  
1 1 1 -2  19 12 o 100.4572 1.116652  100.3865       2.233603  95.24483       2.993874  106.8408       3.354358  -5.766731      2.233304  
1 1 1 -2  19 13 o 123.8201 1.343533  153.4021       3.326915  154.4026       4.737291  152.4285       4.673298  0.7960739      2.687066  
1 1 1 -2  19 14 o 151.5372 1.616552  228.7151       4.879048  218.0129       6.551921  242.0379       7.310224  -7.910263      3.233104  
1 1 1 -2  19 15 f 47.04395 0.6926841 21.84477       0.6470161 24.66391       0.9902059 19.74436       0.8547118 5.227272       1.385368  
1 1 1 -2  19 16 o 209.0046 2.198969  437.2065       9.181718  449.1805       13.36626  426.5078       12.63444  5.398621       4.397938  
1 1 1 -2  19 17 o 274.9691 2.877230  758.3561       15.81192  743.2817       21.87723  774.8432       22.87927  -5.691895      5.754461  
1 1 1 -2  19 18 o 62.22075 0.7895517 38.46281       0.9784667 41.61779       1.467708  35.93888       1.312745  4.561356       1.579103  
1 1 1 -2  19 19 o 92.58952 1.046674  85.49351       1.933345  81.96231       2.623953  89.68726       2.859537  -4.166679      2.093347  
1 1 1 -2  19 20 o 96.50468 1.083883  93.17745       2.091626  92.06717       2.924895  94.33947       2.992268  -1.175690      2.167765  
1 1 1 -2  19 21 o 116.4920 1.273873  135.3694       2.959647  129.7831       4.009188  142.0595       4.387495  -5.257736      2.547746  
1 1 1 -2  19 22 o 99.40225 1.112312  98.89741       2.211294  98.50887       3.116968  99.29114       3.137619  -0.3928757     2.224624  
1 1 1 -2  19 23 o 63.71495 0.8040683 40.54093       1.023329  39.15105       1.404775  42.11242       1.493731  -2.321770      1.608137  
1 1 1 -2  19 24 o 191.5239 2.026255  367.7464       7.753186  358.6952       10.67246  377.8615       11.28226  -4.962982      4.052510  
1 1 1 -2  19 25 o 66.25821 0.8254368 43.73746       1.090625  41.53817       1.475008  46.39006       1.619906  -3.657227      1.650874  
1 1 1 -2  19 26 o 89.91750 1.027439  80.49651       1.840178  76.26988       2.471030  85.75898       2.757242  -5.265198      2.054878  
1 1 1 -2  19 27 o 33.27293 0.6727591 11.04205       0.4469377 11.92726       0.6522138 10.25836       0.6136758 2.506771       1.345518  
1 1 1 -2  19 28 o 45.43526 0.7547675 20.16233       0.6634938 22.57415       1.111923  18.82873       0.8268267 4.111862       1.509535  
1 1 1 -2  19 29 f 23.68203 1.106754  5.650274       0.5199040 5.324892       0.7733440 5.918613       0.7022914 -1.257345      2.213508  
1 1 1 -2  19 30 o 94.70570 1.533065  89.57169       2.892171  94.66147       4.328621  85.46708       3.887189  4.818604       3.066130  
1 1 1 -2  19 31 o 31.47182 0.7402292 9.901572       0.4645979 9.765678       0.6316109 10.06179       0.6858121 -0.4682369     1.480458  
1 1 1 -2  19 32 o 43.32798 0.8342233 19.14089       0.7085903 22.70721       0.9810754 15.25163       1.024533  8.605774       1.668447  
1 1 1 -2  19 33 o 69.41405 1.196914  48.18424       1.658768  46.16784       2.265677  50.51364       2.435189  -3.116516      2.393828  
1 1 1 -2  19 34 o 46.88911 0.9757223 21.97928       0.9140108 20.80455       1.259762  23.28504       1.328162  -2.640392      1.951445  
1 1 1 -2  19 35 o 15.86706 1.268438  2.541393       0.4001317 2.306168       0.5788279 2.756675       0.5537483 -1.422069      2.536875  
1 1 1 -2  19 36 o 56.19345 1.064435  31.63260       1.195368  32.38462       1.731720  30.94814       1.652101  1.271019       2.128870  
1 1 1 -2  19 37 o 18.63772 1.151898  3.649703       0.4073812 2.848548       0.6432835 4.186144       0.5263871 -3.600403      2.303797  
1 1 1 -2  19 38 o 56.85451 1.594423  0.000000       0.000000  ?              ?         32.44431       1.813002  ?              ?         
1 1 1 -2  19 39 o 56.36481 0.7866586 31.54763       0.8827565 28.75221       1.182734  35.06337       1.326392  -5.586372      1.573317  
1 1 1 -2  19 40 o 67.32513 0.8608834 44.92486       1.149842  49.39541       1.767548  41.64497       1.513983  5.730576       1.721767  
1 1 1 -2  19 41 o 34.72819 0.7328792 12.08548       0.5064699 10.52978       0.7050781 13.74391       0.7279842 -4.625439      1.465758  
1 1 1 -2  19 42 o 14.20775 1.149271  2.042618       0.3218320 1.940582       0.4922169 2.118813       0.4253486 -0.6375198     2.298541  
1 1 1 -2  19 43 o 43.12366 0.7456351 18.61465       0.6417503 18.97369       0.9422059 18.30395       0.8764966 0.7697105      1.491270  
1 1 1 -2  19 44 f 113.8331 1.281601  130.4570       2.917573  130.7817       4.152722  130.1404       4.099926  0.2717590      2.563202  
1 1 1 -2  19 45 o 20.33415 0.9298981 4.133801       0.3748154 4.274836       0.5734998 4.028644       0.4952135 0.5938416      1.859796  
1 1 1 -2  19 46 o 88.63773 1.054847  79.00273       1.869903  78.54790       2.651802  79.45255       2.637142  -0.5130081     2.109694  
1 1 1 -2  19 47 o 51.05415 0.8457289 25.75585       0.8526368 23.79589       1.105452  28.63417       1.339634  -4.703266      1.691458  
1 1 1 -2  19 48 o 48.26529 0.9911896 23.13078       0.9421594 21.87482       1.216235  25.01541       1.489847  -3.201988      1.982379  
1 1 1 -2  19 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  19 50 o 55.68435 1.123310  31.13796       1.248173  32.97798       1.842783  29.57824       1.696627  3.015984       2.246619  
1 1 1 -2  19 51 o 28.86724 1.067095  8.361556       0.6149166 8.998679       0.9022627 7.808952       0.8402877 2.045879       2.134191  
1 1 1 -2  19 52 o 55.41843 1.125068  30.97558       1.246887  31.30932       1.777389  30.65216       1.749666  0.5853081      2.250135  
1 1 1 -2  19 53 o 25.53016 1.158684  6.573883       0.5866635 5.489225       0.8109550 7.764766       0.8497382 -4.445660      2.317368  
1 1 1 -2  20 1  f 126.3249 1.366611  159.6753       3.452662  159.1141       4.863177  160.2456       4.902664  -0.4471970     2.733222  
1 1 1 -2  20 2  o 91.48041 1.033453  83.07196       1.879649  78.16051       2.499603  89.46346       2.851464  -6.173500      2.066906  
1 1 1 -2  20 3  f 25.98465 0.6810592 6.754534       0.3537519 6.800995       0.4932252 6.705317       0.5076478 0.1842213      1.362118  
1 1 1 -2  20 4  o 177.2586 1.874601  313.4375       6.625679  328.6728       9.839723  300.7994       8.961925  7.842575       3.749201  
1 1 1 -2  20 5  o 80.66797 0.9351920 65.05561       1.508267  66.46240       2.168620  63.73757       2.099102  1.688118       1.870384  
1 1 1 -2  20 6  o 70.62833 0.8563412 49.53487       1.204041  53.61248       1.812469  46.31399       1.610849  5.164680       1.712682  
1 1 1 -2  20 7  o 70.31590 0.8454309 49.36193       1.187313  47.75664       1.628149  51.18523       1.735185  -2.436829      1.690862  
1 1 1 -2  20 8  o 140.9046 1.509930  198.1971       4.245988  191.3431       5.781928  206.2198       6.255457  -5.269485      3.019860  
1 1 1 -2  20 9  o 141.6570 1.518265  200.1101       4.288441  209.9651       6.369197  191.9372       5.800201  6.351151       3.036531  
1 1 1 -2  20 10 o 268.6132 2.810608  723.5178       15.09272  711.7224       20.97532  736.1815       21.73353  -4.521515      5.621216  
1 1 1 -2  20 11 o 288.8914 3.020456  837.1420       17.43800  856.0432       25.26548  819.9471       24.09802  6.193054       6.040912  
1 1 1 -2  20 12 o 109.7583 1.206554  120.5472       2.648581  120.7747       3.749993  120.3207       3.741339  0.2066803      2.413108  
1 1 1 -2  20 13 f 210.9904 2.219156  445.5603       9.353089  434.2692       12.85509  458.2605       13.63376  -5.657120      4.438311  
1 1 1 -2  20 14 o 161.0231 1.713015  259.3194       5.510876  252.7886       7.587005  266.6131       8.017950  -4.280014      3.426030  
1 1 1 -2  20 15 o 164.0160 1.744225  268.3185       5.701542  256.8211       7.687070  282.3781       8.500557  -7.764328      3.488449  
1 1 1 -2  20 16 o 161.4615 1.718221  260.9397       5.544769  266.6004       8.020415  255.7574       7.674026  3.345383       3.436442  
1 1 1 -2  20 17 f 131.8081 1.423664  173.6981       3.748493  178.9827       5.464720  169.0019       5.151476  3.776123       2.847327  
1 1 1 -2  20 18 o 190.6523 2.014447  364.2573       7.677318  371.0038       11.06968  358.0047       10.65682  3.389343       4.028894  
1 1 1 -2  20 19 f 46.72699 0.6932929 21.65398       0.6447215 19.99257       0.8611491 23.77293       0.9725241 -4.043148      1.386586  
1 1 1 -2  20 20 o 24.06194 0.7352261 5.715286       0.3445072 4.087782       0.4600568 7.793017       0.5198107 -7.698116      1.470452  
1 1 1 -2  20 21 o 13.24280 1.008024  1.756360       0.2664831 1.893871       0.3790946 1.622039       0.3746724 1.026196       2.016048  
1 1 1 -2  20 22 o 36.46656 0.6731405 12.96076       0.4844437 16.12989       0.7556897 10.74973       0.6312058 7.374023       1.346281  
1 1 1 -2  20 23 o 73.95326 0.8859665 54.67913       1.309468  53.35611       1.810783  56.12942       1.895881  -1.872368      1.771933  
1 1 1 -2  20 24 f 61.42285 0.7898248 37.18998       0.9611972 41.90454       1.488935  33.82131       1.258590  6.572598       1.579650  
1 1 1 -2  20 25 o 85.22278 1.068036  72.96133       1.810053  70.37434       2.680107  75.13090       2.454366  -2.801346      2.136072  
1 1 1 -2  20 26 o 47.12894 1.037057  22.24415       0.9772922 22.16107       1.395405  22.32413       1.369169  -0.1742477     2.074113  
1 1 1 -2  20 27 o 85.55406 1.421453  73.39838       2.432193  72.98843       3.430183  73.81287       3.449177  -0.4805069     2.842906  
1 1 1 -2  20 28 o 69.15152 1.373538  48.06471       1.507287  48.13687       1.681589  47.76976       3.399737  0.3827133      2.747077  
1 1 1 -2  20 29 o 37.78638 0.6895177 14.02931       0.5153783 11.55287       0.6825178 17.31465       0.7861238 -7.620262      1.379035  
1 1 1 -2  20 30 o 50.39544 0.9924935 25.41868       0.9999223 24.74999       1.389791  26.13628       1.439739  -1.372505      1.984987  
1 1 1 -2  20 31 o 56.97062 0.7707428 32.45737       0.8773310 33.25189       1.274814  31.74249       1.209247  1.321358       1.541486  
1 1 1 -2  20 32 o 118.3755 1.304237  140.2060       3.081310  134.8576       4.196253  146.4643       4.539183  -4.871117      2.608474  
1 1 1 -2  20 33 o 101.0762 1.140205  102.2700       2.302330  99.02643       3.165278  105.9140       3.354966  -3.391159      2.280410  
1 1 1 -2  20 34 o 123.5592 1.357376  153.1111       3.350860  148.8943       4.613578  157.8190       4.874873  -3.582268      2.714751  
1 1 1 -2  20 35 o 52.26173 0.7510006 27.35128       0.7846230 27.35716       1.126591  27.34573       1.093402  0.8728027E-02  1.502001  
1 1 1 -2  20 36 o 47.93653 0.7332776 22.61073       0.6951945 25.72981       1.086636  20.44947       0.9045320 5.494373       1.466555  
1 1 1 -2  20 37 o 34.94775 1.129057  12.31252       0.7819092 10.31334       1.097541  14.37292       1.114221  -5.806118      2.258114  
1 1 1 -2  20 38 o 51.17104 0.9062543 25.85960       0.8820757 25.02528       1.082293  27.51011       1.522259  -2.383835      1.812509  
1 1 1 -2  20 39 o 48.02988 0.8966355 23.01127       0.8287557 22.69620       1.035762  23.57195       1.381694  -0.8746147     1.793271  
1 1 1 -2  20 40 o 26.31420 1.002323  6.939281       0.5252488 6.092462       0.7270657 7.863661       0.7596320 -3.361246      2.004646  
1 1 1 -2  20 41 o 28.99424 0.9878350 8.445632       0.5711784 8.335400       0.8372350 8.541605       0.7812086 -0.3631096     1.975670  
1 1 1 -2  20 42 o 92.07101 1.505392  85.54763       2.772031  85.84577       3.931065  85.25275       3.909511  0.3173981      3.010783  
1 1 1 -2  20 43 o 75.52314 1.303748  57.14066       1.962540  61.03183       2.926888  53.96213       2.645322  4.626297       2.607496  
1 1 1 -2  20 44 o 22.59961 1.006690  4.908064       0.4377083 5.947256       0.7524230 4.376502       0.5381346 3.439604       2.013380  
1 1 1 -2  20 45 o 59.81575 0.8435346 35.87144       1.007342  36.46428       1.474219  35.35220       1.379671  0.9155502      1.687069  
1 1 1 -2  20 46 o 51.88932 0.8522533 26.88134       0.8800200 25.69326       1.176866  28.38825       1.325405  -2.574257      1.704507  
1 1 1 -2  20 47 o 47.58052 1.892210  22.86077       1.800646  22.86077       1.800646  ?              ?         ?              ?         
1 1 1 -2  20 48 o 91.86681 1.525193  85.31541       2.797537  88.87956       4.104022  82.22186       3.823488  3.537048       3.050386  
1 1 1 -2  20 49 f 37.87859 1.021200  14.44217       0.7735223 14.45650       1.103490  14.42834       1.084606  0.3286362E-01  2.042399  
1 1 1 -2  20 50 o 21.94122 1.226255  4.771481       0.5327030 5.808620       0.8145356 3.996356       0.7041698 4.099302       2.452510  
1 1 1 -2  20 51 o 17.69412 1.379903  3.089365       0.4812797 3.920753       0.7482924 2.502804       0.6285298 3.966211       2.759806  
1 1 1 -2  20 52 o 20.35645 1.312622  4.140666       0.5310491 4.743044       0.8052810 3.677105       0.7064255 2.586517       2.625244  
1 1 1 -2  21 1  o 97.06952 1.087607  93.69050       2.101300  88.69720       2.810261  100.0222       3.164564  -5.827377      2.175213  
1 1 1 -2  21 2  o 92.46623 1.043210  85.36806       1.926435  88.64516       2.818121  82.49339       2.639429  3.323547       2.086420  
1 1 1 -2  21 3  f 157.6949 1.680267  247.8925       5.280220  261.4022       7.880106  236.8842       7.113339  7.753418       3.360535  
1 1 1 -2  21 4  o 74.61281 0.8841980 55.69047       1.319446  55.73965       1.864148  55.64109       1.867814  0.6609344E-01  1.768396  
1 1 1 -2  21 5  o 96.97844 1.087953  93.14464       2.094338  101.6988       3.208538  86.79426       2.764501  7.676712       2.175906  
1 1 1 -2  21 6  f 91.25723 1.032553  83.26595       1.883579  81.74789       2.613575  84.90652       2.717000  -1.728882      2.065106  
1 1 1 -2  21 7  o 192.2647 2.028591  369.7480       7.789360  359.4550       10.67936  381.4487       11.38623  -5.695892      4.057181  
1 1 1 -2  21 8  o 75.09975 0.8930178 56.31807       1.339571  54.49794       1.838429  58.37824       1.955902  -2.581650      1.786036  
1 1 1 -2  21 9  f 289.2946 3.027086  840.6537       17.51217  833.5940       24.53377  847.9871       25.00484  -2.462250      6.054172  
1 1 1 -2  21 10 o 83.50846 0.9662037 69.68024       1.612161  67.81279       2.221497  71.75797       2.343253  -2.359924      1.932407  
1 1 1 -2  21 11 o 30.66728 0.6644636 9.395129       0.4072843 9.025491       0.5643854 9.796804       0.5883347 -1.257229      1.328927  
1 1 1 -2  21 12 o 64.94489 0.8080691 41.88884       1.044746  45.34558       1.572639  39.15814       1.397762  4.760574       1.616138  
1 1 1 -2  21 13 o 12.28266 1.047385  1.494967       0.2559118 1.310286       0.3442117 1.723213       0.3826621 -1.680028      2.094769  
1 1 1 -2  21 14 o 59.35501 0.7661878 34.83139       0.9026942 32.05171       1.190725  38.58785       1.384218  -5.502468      1.532376  
1 1 1 -2  21 15 o 79.21420 0.9258783 62.68498       1.465114  60.80117       2.013372  64.80532       2.136034  -2.524544      1.851757  
1 1 1 -2  21 16 o 48.04601 0.7012627 22.82351       0.6697435 25.72776       1.017151  20.60059       0.8898780 5.333233       1.402525  
1 1 1 -2  21 17 o 132.2259 1.430939  174.6307       3.774933  182.1394       5.576684  168.2803       5.128550  5.221405       2.861878  
1 1 1 -2  21 18 f 51.22593 0.7149432 26.25320       0.7324463 26.25035       1.031453  26.25609       1.040274  -0.5409241E-02 1.429886  
1 1 1 -2  21 19 o 65.33170 0.8148183 42.38604       1.059553  45.97436       1.597003  39.56454       1.416119  4.900635       1.629637  
1 1 1 -2  21 20 o 125.5583 1.364573  157.9303       3.426502  156.9855       4.817182  158.8978       4.874946  -0.7587662     2.729146  
1 1 1 -2  21 21 o 166.8712 1.777607  279.2605       5.929569  274.3913       8.228877  284.5192       8.551795  -3.012207      3.555214  
1 1 1 -2  21 22 o 18.95359 1.209811  4.211535       0.3808004 2.383333       0.6757843 5.062118       0.4609504 -7.076603      2.419622  
1 1 1 -2  21 23 o 86.47686 1.423306  74.57388       2.451743  79.31346       3.672120  70.76173       3.293306  4.920120       2.846613  
1 1 1 -2  21 24 o 71.49253 1.246547  51.20836       1.782135  51.76455       2.545856  50.67395       2.495536  0.7597809      2.493095  
1 1 1 -2  21 25 o 40.15745 0.8640000 15.39761       0.6256148 14.50504       0.7298614 17.86992       1.214703  -4.168762      1.728000  
1 1 1 -2  21 26 o 29.88580 0.7024438 8.830880       0.4169348 10.41683       0.6268649 7.572722       0.5583367 4.755745       1.404888  
1 1 1 -2  21 27 o 50.26167 0.7311058 25.28333       0.7349290 25.30561       1.040990  25.26118       1.037711  0.4406738E-01  1.462212  
1 1 1 -2  21 28 o 19.79157 0.8758587 3.949044       0.3359674 2.762547       0.4617470 5.283805       0.4897476 -6.368118      1.751717  
1 1 1 -2  21 29 f 61.52804 0.8053007 37.89514       0.9908248 37.00146       1.390838  38.81606       1.411874  -1.473473      1.610601  
1 1 1 -2  21 30 o 26.03408 0.7352305 6.758955       0.3815233 7.087774       0.5681314 6.488869       0.5148988 1.147486       1.470461  
1 1 1 -2  21 31 o 46.33715 0.7181972 21.31355       0.6619331 23.19581       1.002253  19.85735       0.8815495 3.596046       1.436394  
1 1 1 -2  21 32 o 85.05534 0.9974379 71.78619       1.685341  66.61166       2.231342  78.65902       2.571567  -7.054420      1.994876  
1 1 1 -2  21 33 o 51.77291 0.7494133 26.81843       0.7752611 27.34357       1.125134  26.34374       1.069732  0.9619904      1.498827  
1 1 1 -2  21 34 o 20.08942 0.8591030 4.049587       0.3439471 3.972784       0.5056269 4.115732       0.4692382 -0.3587780     1.718206  
1 1 1 -2  21 35 o 99.92548 1.135656  100.0256       2.265653  103.5412       3.323723  96.97410       3.096559  3.259140       2.271312  
1 1 1 -2  21 36 o 34.56414 0.7713537 11.97485       0.5328701 12.18133       0.7442397 11.75766       0.7633061 0.6144791      1.542707  
1 1 1 -2  21 37 o 15.57691 1.149992  2.595731       0.3347628 1.668314       0.5000280 3.349071       0.4506631 -5.401248      2.299984  
1 1 1 -2  21 38 o 18.09533 0.9764643 3.192439       0.3478326 4.101081       0.5430067 2.560155       0.4529651 4.246777       1.952929  
1 1 1 -2  21 39 o 47.05567 0.7467656 22.19044       0.7023802 21.20329       0.9883862 23.19752       0.9983197 -2.118015      1.493531  
1 1 1 -2  21 40 o 44.85894 0.7455673 19.97672       0.6647542 21.85266       1.011196  18.54898       0.8821670 3.669006       1.491135  
1 1 1 -2  21 41 o 50.41418 0.7732160 25.48346       0.7792093 25.32091       1.118333  25.63683       1.086302  -0.3169327     1.546432  
1 1 1 -2  21 42 f 37.14227 0.7519456 13.71478       0.5558730 15.00474       0.8381081 12.70166       0.7427483 3.089390       1.503891  
1 1 1 -2  21 43 o 52.35347 0.7917116 27.47336       0.8285343 26.24424       1.156599  28.76895       1.187459  -2.407024      1.583423  
1 1 1 -2  21 44 o 10.19017 1.940205  1.224355       0.4032121 0.3047837      0.8916313 1.460752       0.4520785 -3.686314      3.880410  
1 1 1 -2  21 45 o 54.18769 1.451487  29.96286       1.543070  31.30510       2.023446  28.09745       2.385417  3.054535       2.902974  
1 1 1 -2  21 46 o 30.83054 0.9738408 9.617586       0.5941316 10.04890       0.7957400 9.074239       0.8931249 1.599304       1.947682  
1 1 1 -2  21 47 o 25.53000 1.117694  6.554288       0.5695337 6.738729       0.8369836 6.395246       0.7772177 0.6587753      2.235389  
1 1 1 -2  21 48 o 51.69365 1.085804  26.77466       1.119400  24.95104       1.515639  28.96324       1.660385  -3.845936      2.171608  
1 1 1 -2  21 49 o 36.04372 1.038083  13.07972       0.7482373 12.80565       1.050603  13.36183       1.065897  -0.7679024     2.076166  
1 1 1 -2  21 50 o 36.81485 1.045105  13.66089       0.7693574 13.41200       1.091180  13.90694       1.084918  -0.6738434     2.090209  
1 1 1 -2  21 51 o 7.398191 2.021722  0.1108356      0.4554628 0.8594641      0.7302666 -0.3657748     0.5826799 4.074775       4.043444  
1 1 1 -2  22 1  o 123.1225 1.338004  151.6384       3.292747  154.9644       4.758175  148.5818       4.561353  2.586334       2.676009  
1 1 1 -2  22 2  o 210.7326 2.218943  444.8918       9.342766  456.5598       13.58013  434.4064       12.87350  5.222519       4.437886  
1 1 1 -2  22 3  o 53.83474 0.7262651 28.95328       0.7814505 30.15248       1.129617  27.85267       1.082184  2.135250       1.452530  
1 1 1 -2  22 4  o 97.77788 1.096232  94.59071       2.125245  103.7342       3.275783  87.94486       2.792772  8.062431       2.192464  
1 1 1 -2  22 5  o 200.6346 2.115813  403.6572       8.489742  401.6360       11.94026  405.7237       12.07346  -1.012421      4.231627  
1 1 1 -2  22 6  o 94.66937 1.066813  89.55008       2.017611  92.48111       2.939218  86.93823       2.774562  2.923515       2.133625  
1 1 1 -2  22 7  o 150.9276 1.613956  228.0372       4.869246  224.0615       6.756135  232.3345       7.023977  -2.730743      3.227913  
1 1 1 -2  22 8  o 25.21122 0.6954809 6.322443       0.3488794 5.480527       0.4758737 7.300830       0.5129947 -3.609497      1.390962  
1 1 1 -2  22 9  o 128.6392 1.392632  165.2214       3.574398  159.1534       4.857684  172.3860       5.278409  -5.128906      2.785264  
1 1 1 -2  22 10 o 89.86377 1.022980  80.80153       1.838295  80.01103       2.572830  81.62597       2.627517  -0.8971024     2.045961  
1 1 1 -2  22 11 o 74.16171 0.8853377 54.43213       1.303124  50.46326       1.718592  59.80056       1.998770  -6.288467      1.770675  
1 1 1 -2  22 12 o 45.02715 0.6804578 20.28307       0.6127521 20.41885       0.8643249 20.14588       0.8688173 0.3032074      1.360916  
1 1 1 -2  22 13 o 59.93983 0.7720257 35.51628       0.9184510 32.63272       1.211015  39.42063       1.409158  -5.657543      1.544051  
1 1 1 -2  22 14 o 85.09762 0.9803381 72.47873       1.668458  72.28739       2.351273  72.67278       2.367929  -0.2259064     1.960676  
1 1 1 -2  22 15 o 160.6052 1.713422  258.5890       5.502532  261.8492       7.879843  255.4863       7.687240  1.969864       3.426845  
1 1 1 -2  22 16 o 99.58241 1.115755  98.85556       2.214961  104.4433       3.297318  94.26073       2.990034  5.100861       2.231511  
1 1 1 -2  22 17 o 69.77011 0.8523020 48.32921       1.182970  52.38851       1.789072  45.17567       1.576890  5.162384       1.704604  
1 1 1 -2  22 18 o 80.00061 0.9377702 63.43555       1.489942  69.27512       2.276520  59.05988       1.970620  6.372841       1.875540  
1 1 1 -2  22 19 o 26.20687 0.8756008 6.617501       0.4272095 7.572930       0.7813629 6.210106       0.5102249 2.589767       1.751202  
1 1 1 -2  22 20 o 12.07460 1.854323  1.543816       0.4534349 2.223870       0.6325443 0.8249751      0.6503333 5.633142       3.708646  
1 1 1 -2  22 21 o 90.42039 1.473451  81.80340       2.659655  84.98399       3.907207  79.05714       3.630643  3.258301       2.946903  
1 1 1 -2  22 22 o 30.11921 0.6983607 8.938531       0.4164309 7.379052       0.5547102 10.95238       0.6303611 -5.929373      1.396721  
1 1 1 -2  22 23 o 105.8314 1.178635  112.1938       2.494081  110.6141       3.479382  113.8633       3.576969  -1.529091      2.357271  
1 1 1 -2  22 24 o 63.24340 0.8142116 40.02460       1.029644  39.42792       1.437870  40.65260       1.475119  -0.9665794     1.628423  
1 1 1 -2  22 25 f 40.85722 0.6962332 16.24211       0.5609664 20.12698       0.8820407 13.60350       0.7269230 7.977180       1.392466  
1 1 1 -2  22 26 o 143.1360 1.546647  205.6582       4.426331  202.9090       6.171219  208.5711       6.352262  -1.960693      3.093294  
1 1 1 -2  22 27 o 80.13605 1.328618  63.84137       2.115748  69.60796       3.221732  59.46853       2.805504  6.288383       2.657236  
1 1 1 -2  22 28 o 49.58418 0.7368025 24.60942       0.7305895 24.79349       1.042659  24.43188       1.024013  0.3636742      1.473605  
1 1 1 -2  22 29 o 82.57600 1.045968  68.45117       1.723723  73.45542       2.433917  63.41558       2.441526  6.079735       2.091937  
1 1 1 -2  22 30 o 53.88946 0.7552194 29.08036       0.8139267 28.80005       1.152490  29.35930       1.149648  -0.5190544     1.510439  
1 1 1 -2  22 31 f 31.58146 0.7175127 10.00182       0.4511306 8.817571       0.6325229 11.22795       0.6436116 -3.815451      1.435025  
1 1 1 -2  22 32 f 65.03000 0.8369115 42.29281       1.087465  40.55558       1.499192  44.22184       1.579786  -2.812462      1.673823  
1 1 1 -2  22 33 o 32.14042 0.7199371 10.30078       0.4611061 10.85319       0.6881018 9.850537       0.6212201 1.554810       1.439874  
1 1 1 -2  22 34 o 43.10368 0.9342095 16.56276       0.6901742 22.79318       1.499184  14.88719       0.7774606 9.098812       1.868419  
1 1 1 -2  22 35 o 79.14726 0.9540904 62.79726       1.509528  63.76033       2.175392  61.90287       2.096390  1.164772       1.908181  
1 1 1 -2  22 36 o 35.89922 0.7292666 12.52790       0.5155015 15.34557       0.8201111 10.68744       0.6628124 6.473652       1.458533  
1 1 1 -2  22 37 o 74.50145 0.9249701 55.54126       1.376221  53.12835       1.884991  58.29560       2.013942  -3.452141      1.849940  
1 1 1 -2  22 38 o 28.02685 0.7909744 7.734284       0.4387274 9.491649       0.6688510 6.407149       0.5812411 5.493345       1.581949  
1 1 1 -2  22 39 o 55.09267 0.7960240 30.43958       0.8764243 30.17396       1.261438  30.68746       1.218575  -0.4709435     1.592048  
1 1 1 -2  22 40 o 48.47955 0.7697122 23.56617       0.7460487 22.85612       1.055166  24.27597       1.054978  -1.464409      1.539424  
1 1 1 -2  22 41 o 29.40832 0.8002380 8.696512       0.4690755 8.345037       0.6836807 9.009119       0.6447735 -1.134121      1.600476  
1 1 1 -2  22 42 o 29.79247 1.256378  8.827879       0.7383978 9.638262       1.162122  8.279204       0.9562340 2.235416       2.512756  
1 1 1 -2  22 43 o 18.47052 1.483039  3.374022       0.5404516 2.718034       0.7118512 4.266690       0.8303983 -4.161234      2.966078  
1 1 1 -2  22 44 o 9.964164 1.785573  1.037442       0.3566985 1.211828       0.5285462 0.8915925      0.4833710 1.489342       3.571147  
1 1 1 -2  22 45 o 6.752151 1.827326  0.1341118      0.3865478 -0.3690521     0.5343084 0.6866542      0.5599124 -3.347700      3.654651  
1 1 1 -2  22 46 o 67.12456 1.223606  45.46536       1.642432  46.06361       2.347813  44.89198       2.298471  0.8594818      2.447211  
1 1 1 -2  22 47 o 13.17840 1.761974  1.969340       0.4483247 0.7804163      0.6503623 3.045887       0.6188636 -8.376580      3.523949  
1 1 1 -2  22 48 o 36.01921 1.039409  13.05694       0.7484908 13.45012       1.076319  12.68873       1.041587  1.048470       2.078818  
1 1 1 -2  22 49 o 49.53457 1.073773  24.63741       1.061544  23.10108       1.446195  26.43218       1.563111  -3.330738      2.147546  
1 1 1 -2  22 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  23 1  o 69.02594 1.196965  47.52510       1.648003  45.41532       2.233556  50.04615       2.441565  -3.347092      2.393930  
1 1 1 -2  23 2  o 125.8267 1.936951  158.7402       4.872567  161.5782       7.008197  156.0847       6.779207  2.169853       3.873901  
1 1 1 -2  23 3  o 133.0583 1.770472  176.2892       4.395932  180.9061       7.816887  174.1538       5.316222  2.407379       3.540943  
1 1 1 -2  23 4  o 70.61987 0.8546560 49.90211       1.207106  50.12928       1.710627  49.67679       1.703605  0.3201904      1.709312  
1 1 1 -2  23 5  o 34.85490 0.6544636 12.06810       0.4546248 11.02147       0.6137913 13.34017       0.6766715 -3.324955      1.308927  
1 1 1 -2  23 6  o 21.37458 0.7466078 4.555474       0.3176446 3.964170       0.4365158 5.220984       0.4630963 -2.939352      1.493216  
1 1 1 -2  23 7  o 54.03450 0.7333367 29.14315       0.7912769 28.04291       1.082802  30.40404       1.159166  -2.183037      1.466673  
1 1 1 -2  23 8  o 149.4720 1.601799  223.8913       4.787482  226.7414       6.855531  221.1783       6.688599  1.852127       3.203597  
1 1 1 -2  23 9  f 57.61666 0.7548404 32.79080       0.8633859 36.77232       1.323095  29.83803       1.139414  6.012974       1.509681  
1 1 1 -2  23 10 f 91.80602 1.041333  84.33572       1.911369  83.09096       2.661863  85.66072       2.746283  -1.396584      2.082667  
1 1 1 -2  23 11 o 71.82430 0.8660525 51.49307       1.241712  49.60417       1.694023  53.68636       1.825422  -2.837860      1.732105  
1 1 1 -2  23 12 o 131.8370 1.426868  174.0035       3.759269  170.2702       5.193417  178.1127       5.448575  -2.961227      2.853737  
1 1 1 -2  23 13 o 93.71877 1.060732  87.92515       1.987937  87.12536       2.783847  88.75736       2.839720  -0.8684158     2.121464  
1 1 1 -2  23 14 o 49.84632 0.7107247 24.59899       0.7046154 27.53915       1.066360  22.32043       0.9387474 5.231045       1.421449  
1 1 1 -2  23 15 f 33.69612 0.8245019 11.70951       0.5295072 10.11604       0.8596060 12.68384       0.6721720 -3.816833      1.649004  
1 1 1 -2  23 16 f 50.86206 1.032740  25.89654       1.050284  26.24884       1.505704  25.56269       1.465752  0.6726532      2.065480  
1 1 1 -2  23 17 o 48.96136 1.031389  23.93964       1.008572  25.41407       1.472571  22.63687       1.384199  2.831924       2.062777  
1 1 1 -2  23 18 o 76.63377 1.124128  58.94183       1.623868  59.17126       1.990334  58.48503       2.808364  0.4910583      2.248256  
1 1 1 -2  23 19 o 38.01276 0.6807165 14.14542       0.5116580 17.35409       0.7901319 11.82825       0.6714547 7.264355       1.361433  
1 1 1 -2  23 20 o 29.52054 0.6787242 8.711239       0.4005106 9.063025       0.5772797 8.384760       0.5561273 1.148050       1.357448  
1 1 1 -2  23 21 o 97.80276 1.104599  95.17287       2.149435  89.75732       2.868454  102.1076       3.245946  -6.291275      2.209198  
1 1 1 -2  23 22 o 76.38770 0.9140288 58.39729       1.395895  59.51196       2.007564  57.35396       1.942243  1.409187       1.828058  
1 1 1 -2  23 23 f 55.16608 0.7612956 30.42006       0.8393149 31.58932       1.216179  29.35676       1.159771  2.020920       1.522591  
1 1 1 -2  23 24 o 121.5339 1.333568  148.1879       3.241324  147.2929       4.557504  149.1040       4.610809  -0.7404175     2.667136  
1 1 1 -2  23 25 o 125.1412 1.373804  157.1712       3.438001  158.4068       4.905986  155.9789       4.819308  0.9617310      2.747607  
1 1 1 -2  23 26 o 90.06700 1.039450  81.22784       1.871239  83.12868       2.704695  79.48266       2.591590  2.015778       2.078900  
1 1 1 -2  23 27 o 30.42182 0.7186369 9.256302       0.4367862 9.874534       0.6275632 8.675432       0.6083048 1.969725       1.437274  
1 1 1 -2  23 28 o 52.36824 0.7576514 26.97468       0.7857348 24.05038       1.027213  31.09859       1.219845  -6.717327      1.515303  
1 1 1 -2  23 29 o 81.29732 0.9664505 66.22305       1.571001  65.25108       2.192029  67.24956       2.252673  -1.223953      1.932901  
1 1 1 -2  23 30 o 30.92212 0.7271375 9.473594       0.4437876 7.512361       0.5974092 11.88847       0.6629100 -7.071447      1.454275  
1 1 1 -2  23 31 o 103.5184 1.168159  107.3290       2.414358  103.3631       3.298891  111.9036       3.542999  -4.095428      2.336318  
1 1 1 -2  23 32 o 28.24862 0.7398383 7.945906       0.4164568 8.539649       0.6224049 7.464598       0.5603832 1.897926       1.479677  
1 1 1 -2  23 33 o 65.34376 1.124478  41.59922       1.407634  38.72213       1.729805  47.23914       2.421900  -6.428089      2.248957  
1 1 1 -2  23 34 o 62.53809 0.8277034 38.91024       1.029564  41.91368       1.558169  36.58282       1.371647  4.243202       1.655407  
1 1 1 -2  23 35 o 24.86297 0.8099512 6.218711       0.4004434 5.964381       0.5919378 6.433320       0.5437509 -0.9481335     1.619902  
1 1 1 -2  23 36 o 49.04219 0.7550834 24.10925       0.7404309 23.80894       1.054861  24.40093       1.039561  -0.6051254     1.510167  
1 1 1 -2  23 37 o 34.19570 0.7481609 11.71860       0.5102208 11.73303       0.7506054 11.70620       0.6956470 0.3343582E-01  1.496322  
1 1 1 -2  23 38 o 57.01225 0.8069745 32.59848       0.9199477 32.11411       1.308027  33.07259       1.294090  -0.8422356     1.613949  
1 1 1 -2  23 39 o 47.47897 0.8496333 22.88254       0.7972102 19.83875       1.164225  25.56977       1.093909  -6.044540      1.699267  
1 1 1 -2  23 40 o 26.97132 1.361552  7.448487       0.7094610 5.174605       0.9872354 9.876933       1.020237  -8.709770      2.723103  
1 1 1 -2  23 41 o 40.52512 0.7725264 16.26354       0.6216703 18.27256       0.9510165 14.76452       0.8214869 4.310566       1.545053  
1 1 1 -2  23 42 o 45.64510 0.7824585 20.91675       0.7135152 20.48914       1.027195  21.31545       0.9918583 -0.9101715     1.564917  
1 1 1 -2  23 43 o 31.72541 0.8004974 9.996735       0.5047811 11.04475       0.7678843 9.199226       0.6698517 2.893175       1.600995  
1 1 1 -2  23 44 o 86.43092 1.277563  74.36755       2.071854  72.47049       2.511295  78.41084       3.666273  -3.138420      2.555125  
1 1 1 -2  23 45 o 32.40482 0.9613093 10.54877       0.6196840 10.43693       0.8323152 10.68788       0.9282426 -0.3666496     1.922619  
1 1 1 -2  23 46 f 15.13380 1.506825  2.288483       0.4520990 2.753893       0.6849717 1.929233       0.6018012 2.696438       3.013650  
1 1 1 -2  23 47 o 16.65599 1.492578  2.811145       0.4941771 2.865884       0.7439427 2.767918       0.6611111 0.2641010      2.985155  
1 1 1 -2  23 48 o 47.51434 1.059806  22.74553       1.006941  23.31342       1.438210  22.19950       1.410260  1.164886       2.119611  
1 1 1 -2  23 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  24 1  o 118.4505 1.298062  140.2899       3.070686  145.2346       4.490606  135.9474       4.208336  3.906731       2.596124  
1 1 1 -2  24 2  f 171.6475 1.825995  295.6477       6.268315  294.3349       8.819362  296.9880       8.910820  -0.7666626     3.651991  
1 1 1 -2  24 3  o 69.49995 0.8472150 48.33672       1.177598  48.72021       1.672469  47.95966       1.658370  0.5467224      1.694430  
1 1 1 -2  24 4  o 53.58333 0.9019810 29.29704       0.9207269 30.72411       1.155539  26.81558       1.523751  3.659554       1.803962  
1 1 1 -2  24 5  o 74.84294 1.266426  56.08903       1.894783  55.34907       2.633086  56.88372       2.728729  -1.020531      2.532852  
1 1 1 -2  24 6  o 97.89204 1.559537  95.86562       3.048271  99.92233       4.470140  92.33950       4.167561  3.854111       3.119074  
1 1 1 -2  24 7  f 153.4721 2.331577  237.0384       7.156586  237.8247       10.14506  236.2596       10.09699  0.5052338      4.663154  
1 1 1 -2  24 8  o 51.06245 0.8718150 26.59544       0.8644701 23.78438       1.356479  28.51790       1.121779  -4.643665      1.743630  
1 1 1 -2  24 9  o 138.5966 1.612952  193.2691       4.454709  184.7437       6.494427  200.8445       6.121886  -5.834839      3.225904  
1 1 1 -2  24 10 o 70.42180 0.8569215 49.58505       1.206083  51.03180       1.745830  48.26419       1.668140  1.962044       1.713843  
1 1 1 -2  24 11 o 166.6280 2.180110  279.6859       6.863072  278.2675       11.81802  280.4076       8.430290  -0.9715881     4.360219  
1 1 1 -2  24 12 o 90.16040 1.460242  81.48714       2.632441  82.66991       3.774963  80.36752       3.672806  1.269958       2.920483  
1 1 1 -2  24 13 o 158.9939 2.414528  253.4238       7.644052  268.4402       11.47332  241.4379       10.25040  8.352264       4.829055  
1 1 1 -2  24 14 o 25.01573 0.9574351 6.262407       0.4677157 6.250223       0.5995860 6.281343       0.7475091 -0.5534172E-01 1.914870  
1 1 1 -2  24 15 o 107.6717 1.195401  115.7561       2.567171  121.5384       3.804276  110.9215       3.478600  4.910500       2.390802  
1 1 1 -2  24 16 o 63.37225 0.8094787 39.98314       1.022526  37.66804       1.378707  42.81331       1.524383  -4.053379      1.618957  
1 1 1 -2  24 17 o 80.76774 0.9495628 65.12630       1.530454  62.53721       2.081785  68.17139       2.257677  -3.478897      1.899126  
1 1 1 -2  24 18 o 67.19492 0.8385358 45.07860       1.125041  47.30318       1.650193  43.14662       1.537840  3.087730       1.677072  
1 1 1 -2  24 19 o 16.02996 0.9395779 2.572973       0.3011853 2.512541       0.4236616 2.634724       0.4282564 -0.3808622     1.879156  
1 1 1 -2  24 20 o 82.23692 0.9652113 67.69919       1.586881  69.06255       2.283981  66.42688       2.206405  1.597893       1.930423  
1 1 1 -2  24 21 o 56.52782 0.7694896 31.98945       0.8699465 32.11448       1.232672  31.86538       1.227922  0.2200890      1.538979  
1 1 1 -2  24 22 o 45.11306 0.7134574 20.31070       0.6427479 19.11200       0.8812412 21.67319       0.9395210 -2.835716      1.426915  
1 1 1 -2  24 23 o 70.41487 0.8731374 49.59459       1.228681  48.11016       1.697146  51.22958       1.781130  -2.209877      1.746275  
1 1 1 -2  24 24 o 70.43510 0.8732827 49.65735       1.229684  48.54333       1.709120  50.85292       1.770578  -1.635490      1.746565  
1 1 1 -2  24 25 o 71.72781 0.8843026 51.28587       1.264523  48.49215       1.706914  54.68417       1.882573  -4.303665      1.768605  
1 1 1 -2  24 26 o 53.82700 0.7610271 28.90314       0.8175347 30.75304       1.205070  27.32575       1.112775  3.177612       1.522054  
1 1 1 -2  24 27 o 61.81990 0.8161888 37.69086       0.9995646 34.17292       1.308125  42.62708       1.549536  -6.819630      1.632378  
1 1 1 -2  24 28 o 73.12732 0.9025874 53.58996       1.319896  54.17043       1.885548  53.03223       1.848242  0.7748489      1.805175  
1 1 1 -2  24 29 o 56.19046 0.7868193 31.43932       0.8812006 29.34879       1.187630  33.99997       1.314402  -4.128315      1.573639  
1 1 1 -2  24 30 o 25.36975 0.7677739 6.408391       0.3876085 6.827680       0.5843707 6.079010       0.5179436 1.469980       1.535548  
1 1 1 -2  24 31 o 30.68926 1.129056  9.365286       0.6877197 10.18514       1.053886  8.757243       0.9075931 2.307255       2.258112  
1 1 1 -2  24 32 o 67.59811 0.8630190 45.75024       1.165366  47.04224       1.698546  44.60115       1.601854  1.795319       1.726038  
1 1 1 -2  24 33 o 78.07292 0.9486001 61.13978       1.480989  59.93809       2.074662  62.38840       2.114784  -1.564255      1.897200  
1 1 1 -2  24 34 o 12.66374 1.249483  1.578474       0.3130261 1.898236       0.4858599 1.351553       0.4092936 2.145472       2.498966  
1 1 1 -2  24 35 o 15.57719 1.087826  2.434421       0.3369539 2.469810       0.5059723 2.406219       0.4516847 0.1958227      2.175653  
1 1 1 -2  24 36 o 30.08702 0.7617003 9.040741       0.4566258 9.440962       0.6813249 8.714382       0.6152509 1.200102       1.523401  
1 1 1 -2  24 37 o 41.35110 1.131350  17.01653       0.9253681 18.35189       1.438731  16.07434       1.208507  2.714031       2.262701  
1 1 1 -2  24 38 o 38.20813 1.027638  14.53278       0.7736734 13.90241       1.001809  15.46432       1.217833  -2.006256      2.055276  
1 1 1 -2  24 39 o 62.88165 0.8563727 39.63951       1.076326  37.86699       1.495037  41.54673       1.550805  -2.917507      1.712745  
1 1 1 -2  24 40 o 57.70132 0.8219952 33.39195       0.9476660 33.75738       1.374297  33.06065       1.308525  0.5940819      1.643990  
1 1 1 -2  24 41 o 48.24788 0.7907284 23.37089       0.7625549 22.80533       1.088569  23.91584       1.068541  -1.153866      1.581457  
1 1 1 -2  24 42 o 26.90136 0.8450748 7.252997       0.4532872 7.426729       0.6710029 7.107163       0.6147715 0.5844593      1.690150  
1 1 1 -2  24 43 o 39.43067 0.7926384 15.61381       0.6231176 14.02907       0.8714213 17.27191       0.8913600 -4.108612      1.585277  
1 1 1 -2  24 44 o 43.41687 0.9576155 18.91062       0.8194452 18.68386       1.068538  19.23442       1.276822  -0.5901947     1.915231  
1 1 1 -2  24 45 o 34.45345 1.030296  11.92639       0.7089861 11.12377       0.9787783 12.81241       1.028375  -2.438732      2.060592  
1 1 1 -2  24 46 o 19.86166 1.258302  3.991835       0.4992025 3.936752       0.7215065 4.042418       0.6914124 -0.2755527     2.516603  
1 1 1 -2  24 47 f 21.32665 1.306496  4.640585       0.5488358 4.353363       0.8373994 4.856868       0.7266675 -1.215582      2.612992  
1 1 1 -2  25 1  o 140.2805 1.512773  196.7083       4.232188  188.9932       5.731966  205.9552       6.275303  -6.007248      3.025546  
1 1 1 -2  25 2  o 40.36424 0.6719241 16.23991       0.5410938 15.45233       0.7343509 17.17540       0.8003459 -2.132332      1.343848  
1 1 1 -2  25 3  o 85.32524 0.9860297 72.49193       1.675451  68.78139       2.247334  77.13492       2.513903  -4.882736      1.972059  
1 1 1 -2  25 4  o 171.8817 1.830305  296.7516       6.291800  297.8943       8.931088  295.6256       8.865175  0.6542511      3.660609  
1 1 1 -2  25 5  o 68.80748 0.8433512 47.38289       1.160477  47.94813       1.654518  46.83554       1.628125  0.8074112      1.686702  
1 1 1 -2  25 6  o 44.45738 0.6864559 19.75000       0.6098944 20.81333       0.8801430 18.76777       0.8459166 2.299438       1.372912  
1 1 1 -2  25 7  o 43.07755 0.8430423 18.10100       0.6777329 19.88178       1.223755  17.31319       0.8139564 2.964520       1.686085  
1 1 1 -2  25 8  o 50.16936 1.012317  25.19016       1.015387  24.60569       1.413222  25.81385       1.459861  -1.201714      2.024634  
1 1 1 -2  25 9  o 71.89282 1.240725  51.68371       1.781371  53.91238       2.606880  49.73143       2.439882  2.897179       2.481449  
1 1 1 -2  25 10 f 41.35263 1.117991  17.11618       0.9246378 17.11618       0.9246378 ?              ?         ?              ?         
1 1 1 -2  25 11 o 38.31746 0.9389136 14.68802       0.7188892 14.39748       0.9921020 15.00923       1.043143  -0.7957153     1.877827  
1 1 1 -2  25 12 o 104.6318 1.653228  109.3927       3.446887  116.0568       5.148779  103.9805       4.640082  5.725426       3.306455  
1 1 1 -2  25 13 o 63.31248 1.135012  40.14644       1.436560  39.59176       1.996532  40.74187       2.068588  -0.9038048     2.270025  
1 1 1 -2  25 14 o 37.02170 0.8690171 12.87373       0.6175941 16.86590       1.074351  10.90338       0.7547683 8.037075       1.738034  
1 1 1 -2  25 15 o 89.18983 1.247263  80.45575       2.130579  77.25739       3.532242  82.28489       2.671221  -2.880150      2.494526  
1 1 1 -2  25 16 o 80.80013 0.9525763 65.33427       1.538444  66.94244       2.222986  63.85604       2.131287  1.904495       1.905153  
1 1 1 -2  25 17 o 71.28950 0.8727983 50.83056       1.243433  52.46145       1.803089  49.35165       1.717027  2.176117       1.745597  
1 1 1 -2  25 18 o 60.28998 0.7921379 36.22650       0.9524682 34.24618       1.289129  38.60710       1.413422  -3.609730      1.584276  
1 1 1 -2  25 19 o 97.59177 1.107076  95.40609       2.159668  97.41753       3.116593  93.54797       2.995471  1.973122       2.214153  
1 1 1 -2  25 20 o 100.2986 1.132334  100.8578       2.271421  101.0104       3.217568  100.7062       3.207006  0.1507950      2.264668  
1 1 1 -2  25 21 o 91.24234 1.055094  83.14327       1.919966  87.43230       2.847336  79.56708       2.599975  4.290001       2.110189  
1 1 1 -2  25 22 o 91.47739 1.055276  83.85937       1.930114  82.39149       2.690129  85.41666       2.770846  -1.646523      2.110552  
1 1 1 -2  25 23 o 95.63129 1.093100  91.67178       2.089876  93.28117       3.006629  90.16734       2.906951  1.618729       2.186201  
1 1 1 -2  25 24 o 90.86505 1.051360  82.76598       1.910115  81.45266       2.663640  84.15632       2.740627  -1.480385      2.102720  
1 1 1 -2  25 25 o 42.17569 0.7202547 17.65220       0.6047865 19.82205       0.9066063 15.91237       0.8118172 4.628273       1.440509  
1 1 1 -2  25 26 o 71.01550 0.8872054 50.30045       1.256117  53.61727       1.869537  47.57095       1.695956  4.241028       1.774411  
1 1 1 -2  25 27 o 105.0413 1.186073  110.8025       2.491725  110.5407       3.518477  111.0659       3.529211  -0.2486572     2.372145  
1 1 1 -2  25 28 o 42.73811 0.7355247 18.17303       0.6265261 19.93535       0.9334975 16.72849       0.8451579 3.744480       1.471049  
1 1 1 -2  25 29 o 87.34997 1.482765  76.81910       2.589162  78.21221       3.731105  75.52512       3.595894  1.514343       2.965530  
1 1 1 -2  25 30 o 15.52777 1.129290  2.442397       0.3476982 2.194140       0.5080985 2.661038       0.4768288 -1.507839      2.258580  
1 1 1 -2  25 31 f 24.05042 0.8188994 5.806350       0.3919324 5.720082       0.5818089 5.878024       0.5303153 -0.3339462     1.637799  
1 1 1 -2  25 32 o 12.35544 1.378332  1.617730       0.3202367 1.225513       0.4767759 1.940118       0.4322560 -3.082111      2.756664  
1 1 1 -2  25 33 o 48.53456 0.7567449 23.57298       0.7332076 24.19104       1.075474  23.03624       1.002221  1.181816       1.513490  
1 1 1 -2  25 34 o 28.16484 1.164979  8.924520       0.5482773 6.185928       1.036568  9.988327       0.6460489 -6.810595      2.329959  
1 1 1 -2  25 35 o 44.37408 1.137581  19.61511       1.001696  21.24337       1.535925  18.40995       1.321384  3.155235       2.275161  
1 1 1 -2  25 36 o 38.64787 0.7482365 14.96074       0.5766919 15.17967       0.8511286 14.77492       0.7841173 0.5151672      1.496473  
1 1 1 -2  25 37 o 29.21737 0.7879320 8.463231       0.4573452 9.445640       0.6978587 7.723655       0.6054978 2.934019       1.575864  
1 1 1 -2  25 38 o 17.76056 1.042707  3.114959       0.3662385 3.554140       0.5726477 2.810990       0.4764097 2.074276       2.085413  
1 1 1 -2  25 39 o 48.41272 0.7917489 23.34563       0.7636910 20.95766       1.033179  26.22175       1.133875  -5.421677      1.583498  
1 1 1 -2  25 40 o 78.62798 0.9784539 62.16248       1.538536  61.40599       2.180570  62.91241       2.171097  -0.9597855     1.956908  
1 1 1 -2  25 41 o 64.44080 0.8785447 41.67284       1.131607  39.85672       1.572498  43.62350       1.629702  -2.911983      1.757089  
1 1 1 -2  25 42 o 53.53350 0.8636727 28.81848       0.9233301 29.34354       1.278468  28.24603       1.334933  1.035862       1.727345  
1 1 1 -2  25 43 o 22.26891 1.115722  5.019471       0.4947038 5.455958       0.6912237 4.561120       0.7083235 2.013483       2.231444  
1 1 1 -2  25 44 o 17.68196 1.367180  3.145889       0.4816317 3.412404       0.7207898 2.930902       0.6473703 1.336948       2.734360  
1 1 1 -2  25 45 o 22.51299 1.226937  5.116521       0.5520346 5.246078       0.7994342 4.998437       0.7632142 0.5390511      2.453873  
1 1 1 -2  25 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  26 1  o 18.67255 0.8217289 3.464273       0.3057294 3.153496       0.4122328 3.844164       0.4557716 -1.847464      1.643458  
1 1 1 -2  26 2  f 93.23169 1.064257  86.48589       1.974528  81.54730       2.637525  92.78272       2.978220  -6.005646      2.128515  
1 1 1 -2  26 3  o 58.36924 0.9455177 33.92896       1.046472  34.70580       1.801798  33.53352       1.285512  0.9776688      1.891035  
1 1 1 -2  26 4  o 56.93204 1.071138  32.22691       1.214501  35.19313       1.822580  29.85781       1.628832  4.674232       2.142275  
1 1 1 -2  26 5  o 64.86133 1.153244  42.08304       1.493849  40.85254       2.047447  43.48373       2.184444  -2.019547      2.306489  
1 1 1 -2  26 6  o 109.3505 1.492739  118.9747       3.042101  117.2180       3.672710  122.8141       5.429545  -2.413750      2.985479  
1 1 1 -2  26 7  o 84.44953 0.9827505 71.30493       1.657740  69.12323       2.275834  73.77090       2.419560  -2.743713      1.965501  
1 1 1 -2  26 8  o 32.02139 0.6868216 10.18111       0.4375217 11.78471       0.6488283 8.843857       0.5924994 4.589779       1.373643  
1 1 1 -2  26 9  f 70.71460 0.8697785 49.70230       1.224421  53.84824       1.843267  46.42822       1.638030  5.235794       1.739557  
1 1 1 -2  26 10 o 144.9788 1.564487  210.9817       4.534380  207.6518       6.302465  214.5550       6.528679  -2.358856      3.128974  
1 1 1 -2  26 11 o 61.36983 0.7973441 37.57140       0.9766809 39.86307       1.438167  35.60981       1.330570  3.459717       1.594688  
1 1 1 -2  26 12 o 76.93027 0.9201742 59.27274       1.415696  59.80280       2.016020  58.75709       1.988456  0.6779175      1.840348  
1 1 1 -2  26 13 o 56.08321 0.7624393 31.46243       0.8547452 30.68964       1.185346  32.29955       1.233687  -1.432705      1.524879  
1 1 1 -2  26 14 o 82.30229 0.9681085 67.72668       1.591351  70.36835       2.326140  65.40266       2.181809  3.006920       1.936217  
1 1 1 -2  26 15 o 70.09094 0.8667005 48.72709       1.207262  53.35692       1.837874  45.21311       1.601153  5.795059       1.733401  
1 1 1 -2  26 16 o 55.90047 0.9229518 31.98501       1.000995  34.67481       1.302359  28.10233       1.564721  5.895950       1.845904  
1 1 1 -2  26 17 o 54.86340 0.9296322 29.48411       0.9486555 28.39347       1.137597  31.97411       1.718896  -3.221970      1.859264  
1 1 1 -2  26 18 o 60.37589 1.107734  36.25775       1.330480  33.81684       1.773353  39.40109       2.012401  -4.603001      2.215468  
1 1 1 -2  26 19 f 32.50532 0.9304055 10.53204       0.6032474 9.773484       0.8183799 11.43462       0.8926979 -2.549337      1.860811  
1 1 1 -2  26 20 o 96.07306 1.541857  91.92159       2.939147  85.97335       3.874375  99.98544       4.511059  -7.206093      3.083713  
1 1 1 -2  26 21 o 20.25087 1.067613  4.113468       0.4323518 4.103056       0.6157160 4.123596       0.6072475 -0.5155754E-01 2.135226  
1 1 1 -2  26 22 o 41.91469 0.8427089 17.23928       0.6716991 18.76446       1.165465  16.48071       0.8219386 2.695450       1.685418  
1 1 1 -2  26 23 o 18.99972 0.9808933 3.685099       0.3650957 3.219335       0.5533632 4.044138       0.4858468 -2.177372      1.961787  
1 1 1 -2  26 24 o 61.36343 0.8190492 37.49534       1.001450  40.46102       1.497437  35.09560       1.347006  4.358765       1.638098  
1 1 1 -2  26 25 o 45.39998 0.7384001 20.63706       0.6703071 21.17782       0.9600607 20.12272       0.9363005 1.160053       1.476800  
1 1 1 -2  26 26 o 90.98093 1.398955  82.38656       2.460912  86.88249       4.082500  79.82050       3.084252  3.718346       2.797910  
1 1 1 -2  26 27 o 58.49402 0.8081917 34.24431       0.9447265 35.52944       1.370047  33.07928       1.304455  2.087837       1.616383  
1 1 1 -2  26 28 o 41.72475 0.7417845 17.43058       0.6187047 17.01079       0.8584908 17.88424       0.8924585 -1.043411      1.483569  
1 1 1 -2  26 29 f 29.20675 0.7900708 8.523065       0.4582410 7.196775       0.6292302 10.02082       0.6686677 -4.830385      1.580142  
1 1 1 -2  26 30 o 14.43028 1.189074  2.080660       0.3414862 2.395344       0.5033929 1.812397       0.4647833 2.013579       2.378147  
1 1 1 -2  26 31 o 30.62283 1.065477  10.13997       0.5646846 7.938921       1.054214  11.02558       0.6687064 -5.095150      2.130954  
1 1 1 -2  26 32 o 25.78691 1.373446  7.003173       0.6744578 4.818119       0.9909875 8.888675       0.9205568 -7.906227      2.746892  
1 1 1 -2  26 33 f 27.13784 0.7995318 7.279172       0.4307859 8.385574       0.6579103 6.448814       0.5699580 3.557383       1.599064  
1 1 1 -2  26 34 o 36.24969 0.7506867 13.04596       0.5408738 14.34414       0.8227885 12.05809       0.7177477 3.139690       1.501373  
1 1 1 -2  26 35 o 36.16340 0.7579563 13.10629       0.5469793 13.24765       0.8027352 12.98376       0.7473248 0.3574562      1.515913  
1 1 1 -2  26 36 o 29.76854 0.7932157 8.641497       0.4656177 10.69848       0.7327341 7.248328       0.6030225 5.776655       1.586431  
1 1 1 -2  26 37 o 47.85583 0.7773942 22.99253       0.7434894 22.31505       1.061402  23.64519       1.041779  -1.392605      1.554788  
1 1 1 -2  26 38 o 85.38045 1.033103  73.31951       1.763938  72.03093       2.473715  74.65254       2.515992  -1.526573      2.066206  
1 1 1 -2  26 39 o 37.60528 0.7767693 14.18781       0.5821275 12.62811       0.8108473 15.84675       0.8362452 -4.275394      1.553539  
1 1 1 -2  26 40 o 44.87851 0.7932997 20.21431       0.7107873 18.62628       0.9933998 21.88013       1.017441  -3.620922      1.586599  
1 1 1 -2  26 41 o 29.25354 0.9616950 8.656515       0.5556044 8.945821       0.7372503 8.276228       0.8452652 1.167650       1.923390  
1 1 1 -2  26 42 o 27.84402 1.093755  7.734462       0.6058058 8.664903       0.9157055 7.010262       0.8078694 2.943052       2.187510  
1 1 1 -2  26 43 o 25.15591 1.138390  6.388675       0.5718553 6.343554       0.8305435 6.429348       0.7885414 -0.1825104     2.276779  
1 1 1 -2  26 44 o 24.50471 3.466247  0.000000       0.000000  ?              ?         6.257462       1.698787  ?              ?         
1 1 1 -2  27 1  o 69.68423 1.056828  47.42871       1.355015  45.62251       1.610206  51.81129       2.508212  -4.374794      2.113656  
1 1 1 -2  27 2  o 41.95801 0.6911393 17.60680       0.5794584 17.29602       0.7999453 17.94989       0.8405151 -0.7772293     1.382279  
1 1 1 -2  27 3  o 58.91507 0.7791954 34.36572       0.9115548 31.68838       1.204356  37.95659       1.394770  -5.309269      1.558391  
1 1 1 -2  27 4  o 63.12077 0.8067836 39.88694       1.018335  39.52802       1.425137  40.26139       1.455632  -0.5791969     1.613567  
1 1 1 -2  27 5  o 88.22084 1.019573  77.73885       1.794456  74.65068       2.436053  81.40247       2.653336  -3.811081      2.039145  
1 1 1 -2  27 6  o 136.5322 1.482418  187.0802       4.045439  183.4074       5.603673  191.0780       5.846265  -2.783875      2.964836  
1 1 1 -2  27 7  o 195.2456 2.078762  384.2402       8.113186  377.6914       11.25947  391.3126       11.70081  -3.423981      4.157525  
1 1 1 -2  27 8  o 44.57919 0.7081293 19.75516       0.6290549 22.13328       0.9328437 17.77187       0.8518933 4.887737       1.416259  
1 1 1 -2  27 9  o 49.80021 0.7301415 24.78495       0.7266043 26.03127       1.052897  23.65172       1.003994  2.386543       1.460283  
1 1 1 -2  27 10 o 116.0310 1.281077  134.7405       2.966975  140.4089       4.365440  129.8743       4.044758  4.509483       2.562154  
1 1 1 -2  27 11 o 58.75237 0.7825645 34.52175       0.9187587 33.59724       1.267731  35.54452       1.333397  -1.653275      1.565129  
1 1 1 -2  27 12 o 35.72955 0.6932533 12.78006       0.4953344 12.79747       0.6954519 12.76214       0.7056773 0.5000305E-01  1.386507  
1 1 1 -2  27 13 f 64.00697 0.8222046 40.98420       1.051831  42.38220       1.521929  39.70586       1.455333  2.086170       1.644409  
1 1 1 -2  27 14 o 125.4120 1.374775  157.8383       3.445712  161.6880       4.990092  154.3300       4.763729  2.907417       2.749550  
1 1 1 -2  27 15 o 63.91954 0.8240870 40.84801       1.052116  39.50624       1.443530  42.36850       1.536667  -2.232315      1.648174  
1 1 1 -2  27 16 o 56.81940 0.7769305 32.14535       0.8800457 34.74974       1.310335  30.00523       1.187812  4.166531       1.553861  
1 1 1 -2  27 17 o 49.14234 0.7941095 23.87457       0.7652416 22.68219       0.9789689 25.74763       1.226981  -3.100330      1.588219  
1 1 1 -2  27 18 o 22.09901 0.8184795 4.842924       0.3595151 4.179576       0.4836132 5.662363       0.5375091 -3.350466      1.636959  
1 1 1 -2  27 19 o 55.48758 0.7730563 30.42369       0.8509365 27.67927       1.119582  34.17761       1.309402  -5.840427      1.546113  
1 1 1 -2  27 20 o 10.20756 1.451942  1.067652       0.2913116 1.576045       0.4296873 0.6352180      0.3962900 4.638238       2.903884  
1 1 1 -2  27 21 o 95.83386 1.099085  92.17936       2.106567  91.90694       2.970383  92.45502       2.987965  -0.2838669     2.198171  
1 1 1 -2  27 22 o 37.29993 0.7258056 13.93351       0.5413930 13.67990       0.7597799 14.19510       0.7716489 -0.6896439     1.451611  
1 1 1 -2  27 23 o 104.9052 1.699533  110.4755       3.549467  117.5713       5.335734  104.8428       4.753906  5.949654       3.399066  
1 1 1 -2  27 24 o 44.78957 0.7588675 20.08861       0.6793865 21.08755       0.9732082 19.13904       0.9488500 2.172901       1.517735  
1 1 1 -2  27 25 o 114.3800 1.555836  133.1087       3.407865  136.0299       4.272614  128.0007       5.649847  3.784134       3.111671  
1 1 1 -2  27 26 o 77.50372 1.319313  60.42213       2.043641  59.33629       2.828905  61.60736       2.955541  -1.442642      2.638626  
1 1 1 -2  27 27 o 79.26616 1.339602  63.26726       2.123601  63.30180       2.989185  63.23206       3.017466  0.4917145E-01  2.679204  
1 1 1 -2  27 28 o 72.97263 1.791398  0.000000       0.000000  ?              ?         53.59327       2.614460  ?              ?         
1 1 1 -2  27 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  27 30 o 57.46299 1.117045  32.94889       1.278846  36.23297       1.911900  30.28990       1.720350  5.139099       2.234089  
1 1 1 -2  27 31 o 14.13235 1.546342  2.004490       0.4215350 2.536032       0.6458272 1.609961       0.5563998 3.433842       3.092683  
1 1 1 -2  27 32 o 32.71643 0.8773425 10.83164       0.5518033 10.41998       0.9073988 11.07320       0.6950989 -1.030365      1.754685  
1 1 1 -2  27 33 o 36.71653 0.8892292 13.89141       0.6252849 12.17391       1.008311  14.96460       0.7970505 -3.832706      1.778458  
1 1 1 -2  27 34 o 37.52135 0.7702559 14.15200       0.5766314 13.52068       0.8325961 14.73396       0.7993776 -1.621365      1.540512  
1 1 1 -2  27 35 o 65.55579 0.8734285 42.97869       1.140958  45.08839       1.702459  41.25854       1.537271  2.893608       1.746857  
1 1 1 -2  27 36 o 42.75838 0.7750940 18.33930       0.6612952 18.42285       0.9698128 18.26670       0.9040697 0.1724586      1.550188  
1 1 1 -2  27 37 o 23.95127 0.9059587 5.842964       0.4264646 4.653405       0.6082145 6.993427       0.5981359 -4.886854      1.811917  
1 1 1 -2  27 38 o 15.24862 1.219571  2.382386       0.3630722 2.162997       0.5635858 2.538032       0.4747025 -1.253563      2.439141  
1 1 1 -2  27 39 o 52.59032 0.8201144 27.73083       0.8616348 25.97288       1.194501  29.63776       1.244082  -3.475273      1.640229  
1 1 1 -2  27 40 o 10.64651 1.999288  1.232630       0.4470222 0.7946095      0.6742666 1.576143       0.5971113 -3.119894      3.998575  
1 1 1 -2  27 41 f 56.78004 1.131526  32.53448       1.284910  32.55656       1.809356  32.51201       1.825019  0.4370117E-01  2.263053  
1 1 1 -2  27 42 o 30.71721 1.401357  9.673756       0.7888733 9.282448       1.422607  9.847513       0.9479758 -1.078468      2.802713  
1 1 1 -2  28 1  o 102.7863 1.155404  105.9547       2.374682  104.8065       3.317491  107.1613       3.400668  -1.137497      2.310808  
1 1 1 -2  28 2  o 71.83692 0.8810359 51.22592       1.257368  47.85139       1.665626  55.69664       1.917162  -5.442062      1.762072  
1 1 1 -2  28 3  o 63.74622 0.8179519 40.68028       1.042405  40.05469       1.449695  41.35001       1.499956  -1.012581      1.635904  
1 1 1 -2  28 4  o 42.93226 0.6975934 18.33328       0.5968409 17.04889       0.8036773 19.91269       0.8912147 -3.330154      1.395187  
1 1 1 -2  28 5  o 101.6343 1.145839  103.6097       2.329010  104.4148       3.314395  102.8245       3.273424  0.7784271      2.291677  
1 1 1 -2  28 6  f 73.36572 0.8938190 53.73044       1.307979  51.38495       1.772627  56.53376       1.937929  -3.496468      1.787638  
1 1 1 -2  28 7  o 20.07676 0.8341336 4.026615       0.3343752 3.854454       0.4570047 4.224960       0.4905290 -0.9203224     1.668267  
1 1 1 -2  28 8  o 57.90407 0.7777317 33.51276       0.8997157 35.05425       1.309715  32.13527       1.238085  2.515671       1.555463  
1 1 1 -2  28 9  o 85.00227 0.9938288 72.42901       1.689425  72.06920       2.372249  72.79930       2.406535  -0.4264221     1.987658  
1 1 1 -2  28 10 f 58.65350 0.7857377 34.44394       0.9215386 35.15698       1.319372  33.76472       1.287710  1.184574       1.571475  
1 1 1 -2  28 11 o 29.93608 0.7193088 8.994311       0.4296837 9.433928       0.5981922 8.525705       0.6176017 1.518253       1.438618  
1 1 1 -2  28 12 o 53.69994 0.7580715 28.87553       0.8139893 28.55256       1.137011  29.21509       1.165840  -0.6147423     1.516143  
1 1 1 -2  28 13 o 41.93212 0.7136362 17.38803       0.5946494 15.56432       0.7894794 19.77939       0.9040356 -5.017754      1.427272  
1 1 1 -2  28 14 o 39.23440 0.9732458 15.40664       0.7626919 16.55563       1.103537  14.35591       1.055298  2.798428       1.946492  
1 1 1 -2  28 15 o 38.16544 0.7030445 14.57060       0.5359184 14.28310       0.7360977 14.89487       0.7817687 -0.7980995     1.406089  
1 1 1 -2  28 16 o 18.47170 0.9206788 3.393627       0.3372896 2.824880       0.4571043 4.073425       0.4997412 -3.375460      1.841358  
1 1 1 -2  28 17 o 12.40306 1.245560  1.546853       0.3072595 1.765407       0.4409619 1.340601       0.4283727 1.710792       2.491120  
1 1 1 -2  28 18 o 45.97202 0.7347463 21.14844       0.6750084 20.64179       0.9322013 21.70691       0.9787080 -1.154545      1.469493  
1 1 1 -2  28 19 o 29.05895 1.114807  8.458200       0.6462896 9.344523       0.9375851 7.655797       0.8920940 2.899723       2.229614  
1 1 1 -2  28 20 o 79.66022 1.033093  63.86220       1.636115  65.39798       2.212198  62.00782       2.430862  2.155464       2.066186  
1 1 1 -2  28 21 o 39.51741 0.7300565 15.64595       0.5769913 15.75708       0.8178928 15.53585       0.8140982 0.2795639      1.460113  
1 1 1 -2  28 22 o 75.44328 0.9283653 57.01346       1.399357  55.25441       1.926742  58.97715       2.035732  -2.453850      1.856731  
1 1 1 -2  28 23 o 27.67710 0.7781993 7.652051       0.4295976 6.902827       0.5905297 8.494296       0.6261162 -2.871319      1.556399  
1 1 1 -2  28 24 f 17.26258 1.009588  2.968463       0.3438560 3.717142       0.5100508 2.344697       0.4655604 3.969105       2.019177  
1 1 1 -2  28 25 o 44.33695 1.120017  19.54452       0.9877187 22.02518       1.492697  17.61238       1.317366  4.948437       2.240033  
1 1 1 -2  28 26 o 28.99968 1.250687  8.457805       0.7250460 8.825716       1.040233  8.110192       1.011126  1.228355       2.501373  
1 1 1 -2  28 27 o 12.23841 1.433358  1.666162       0.3385170 0.2879772      0.4641334 3.232536       0.4948080 -11.40992      2.866716  
1 1 1 -2  28 28 o 10.14815 1.610518  1.081581       0.3209945 1.352271       0.4619853 0.8289283      0.4463290 2.491152       3.221035  
1 1 1 -2  28 29 f 21.39920 0.9215511 4.516157       0.3887236 5.761533       0.5907992 3.565434       0.5161985 5.119537       1.843102  
1 1 1 -2  28 30 o 18.21980 1.009878  3.357560       0.3652927 3.115825       0.5378709 3.564511       0.4976716 -1.238430      2.019755  
1 1 1 -2  28 31 o 49.57761 0.7700329 24.14848       0.7539003 27.87510       1.186911  21.62813       0.9760926 6.271416       1.540066  
1 1 1 -2  28 32 o 26.67121 0.8105567 7.051902       0.4289529 7.815473       0.6591284 6.490922       0.5649622 2.469105       1.621113  
1 1 1 -2  28 33 o 33.14408 0.7718515 11.02447       0.5109295 10.96122       0.7413120 11.08171       0.7051690 -0.1871910     1.543703  
1 1 1 -2  28 34 o 106.7370 1.222408  114.8928       2.609492  114.4461       3.694378  115.3376       3.686393  -0.4195786     2.444817  
1 1 1 -2  28 35 o 42.36536 0.7750093 18.02365       0.6561520 17.74324       0.9424866 18.28740       0.9140449 -0.6469879     1.550019  
1 1 1 -2  28 36 o 41.07738 0.7832799 16.75871       0.6387913 18.39925       0.9780353 15.53823       0.8435788 3.459141       1.566560  
1 1 1 -2  28 37 o 12.70688 1.495161  1.665833       0.3666374 1.638826       0.5601311 1.686077       0.4849617 -0.4113340     2.990322  
1 1 1 -2  28 38 f 41.13328 0.8474762 17.00624       0.6969054 17.55532       0.9852194 16.45636       0.9859272 1.336002       1.694952  
1 1 1 -2  28 39 o 36.77462 1.046781  13.63651       0.7694894 13.27540       1.095664  13.98798       1.080930  -0.9727402     2.093562  
1 1 1 -2  28 40 o 51.19974 1.102658  26.33718       1.126748  27.96380       1.660503  24.94908       1.533936  2.909901       2.205316  
1 1 1 -2  29 1  o 46.70944 0.7288794 21.66603       0.6776423 19.99396       0.9057522 23.79182       1.021276  -4.056705      1.457759  
1 1 1 -2  29 2  o 62.81988 1.053128  39.47995       1.294052  39.06478       1.660656  40.12178       2.064790  -0.7974892     2.106255  
1 1 1 -2  29 3  o 36.87236 0.9562185 13.42534       0.6997327 11.86168       0.9241904 15.52577       1.071133  -4.954060      1.912437  
1 1 1 -2  29 4  f 32.16225 0.9834500 10.37342       0.6316769 11.13224       0.9014794 9.641443       0.8853899 2.315983       1.966900  
1 1 1 -2  29 5  o 66.67076 1.187458  44.11195       1.570644  40.74693       2.067827  48.70082       2.414761  -5.922058      2.374916  
1 1 1 -2  29 6  o 30.30117 0.9899305 9.212816       0.5995834 9.525136       0.8453602 8.896657       0.8505417 1.037590       1.979861  
1 1 1 -2  29 7  f 24.20957 1.017097  5.917438       0.4891914 5.289988       0.7053699 6.498894       0.6790243 -2.499552      2.034194  
1 1 1 -2  29 8  o 50.31710 0.9610521 25.54476       0.9608033 23.52507       1.404583  27.32093       1.317187  -3.780762      1.922104  
1 1 1 -2  29 9  o 27.03386 1.088961  7.216690       0.5839144 6.203253       0.7734047 8.560153       0.8904744 -4.345594      2.177922  
1 1 1 -2  29 10 o 90.09111 3.044721  0.000000       0.000000  ?              ?         82.31507       5.486046  ?              ?         
1 1 1 -2  29 11 o 22.06500 1.284553  4.884001       0.5655057 4.761723       0.7695009 5.027589       0.8338627 -0.5933304     2.569106  
1 1 1 -2  29 12 f 65.28540 1.199188  42.71287       1.563404  40.98381       2.139923  44.69233       2.289637  -2.819931      2.398376  
1 1 1 -2  29 13 o 31.65306 0.9244067 10.12989       0.5426349 10.27237       0.6570648 9.824307       0.9622988 0.7397499      1.848813  
1 1 1 -2  29 14 o 36.02380 0.7188213 12.89461       0.5157947 11.70460       0.6940455 14.36267       0.7708769 -3.682766      1.437643  
1 1 1 -2  29 15 o 77.59702 0.9383848 60.34255       1.455458  61.90512       2.102889  58.90576       2.016484  1.922752       1.876770  
1 1 1 -2  29 16 o 16.91929 1.000718  2.867106       0.3377281 2.585761       0.4672319 3.174941       0.4887326 -1.738445      2.001436  
1 1 1 -2  29 17 f 7.438561 1.570179  0.4902950      0.2865140 0.5798363E-01  0.3992849 0.9491708      0.4113695 -4.148702      3.140357  
1 1 1 -2  29 18 o 50.72783 0.7585356 25.68914       0.7680467 27.50623       1.129658  24.12713       1.047368  3.322285       1.517071  
1 1 1 -2  29 19 o 21.34623 0.8653976 4.536854       0.3668738 3.838025       0.4981769 5.364963       0.5423028 -3.571447      1.730795  
1 1 1 -2  29 20 o 73.63718 0.9134438 54.39520       1.345165  54.07119       1.888539  54.72884       1.916469  -0.4430542     1.826888  
1 1 1 -2  29 21 o 58.34986 1.009972  35.06340       1.127083  30.92140       1.826955  37.60840       1.432077  -5.785004      2.019944  
1 1 1 -2  29 22 o 52.52711 1.142980  27.72542       1.200442  27.09091       1.675177  28.39522       1.721119  -1.233925      2.285960  
1 1 1 -2  29 23 o 23.95453 1.109600  5.629785       0.4816607 5.451124       0.5669190 6.093417       0.9132567 -1.285187      2.219199  
1 1 1 -2  29 24 o 56.50516 0.7998667 31.99816       0.9036546 32.73927       1.297727  31.30055       1.259071  1.268398       1.599733  
1 1 1 -2  29 25 o 46.01486 0.7600334 21.23078       0.6993971 21.31627       0.9838679 21.14344       0.9944101 0.1891022      1.520067  
1 1 1 -2  29 26 f 37.99683 0.7518016 14.40309       0.5697084 13.07793       0.7765185 15.94792       0.8384156 -3.768600      1.503603  
1 1 1 -2  29 27 o 31.59575 0.7765133 10.01449       0.4906048 9.898334       0.6976746 10.12812       0.6900287 -0.3646851     1.553027  
1 1 1 -2  29 28 o 26.46799 0.8164760 7.017551       0.4318296 6.647265       0.5979645 7.421150       0.6242841 -1.458128      1.632952  
1 1 1 -2  29 29 o 34.55725 0.7764595 11.96842       0.5362476 12.63830       0.7698925 11.33720       0.7473472 1.879360       1.552919  
1 1 1 -2  29 30 o 44.34889 0.7752965 19.67643       0.6866760 21.07587       1.001060  18.43280       0.9436901 2.971348       1.550593  
1 1 1 -2  29 31 o 9.677023 1.687427  1.029400       0.3312532 0.6657200      0.5125918 1.290187       0.4340655 -2.895324      3.374854  
1 1 1 -2  29 32 o 6.501855 1.698278  0.3091296      0.3108666 -0.3078774E-01 0.4876501 0.5418292      0.4034777 -1.798864      3.396555  
1 1 1 -2  29 33 o 71.76272 0.9198646 51.71367       1.319466  49.75481       1.830143  53.83397       1.904066  -2.826920      1.839729  
1 1 1 -2  29 34 o 62.67577 0.8653433 39.47466       1.084172  39.16790       1.554764  39.76502       1.512607  -0.4843979     1.730687  
1 1 1 -2  29 35 o 74.99292 0.9533843 56.57436       1.429732  56.32943       2.036927  56.81222       2.007291  -0.3283615     1.906769  
1 1 1 -2  29 36 o 42.20549 0.7974592 17.89138       0.6717994 17.88734       0.9814410 17.89494       0.9215230 -0.2064514E-01 1.594918  
1 1 1 -2  29 37 o 26.53766 1.088412  7.065998       0.5755186 6.268473       0.7863407 7.986053       0.8445900 -3.220295      2.176824  
1 1 1 -2  29 38 f 50.22023 1.539609  0.000000       0.000000  ?              ?         25.42901       1.546390  ?              ?         
1 1 1 -2  30 1  o 59.16496 0.7935717 34.93950       0.9363899 33.32493       1.267770  36.87769       1.389032  -2.991028      1.587143  
1 1 1 -2  30 2  o 72.67723 0.8991916 52.66399       1.302331  56.45079       1.945050  49.58678       1.753376  4.701813       1.798383  
1 1 1 -2  30 3  o 25.21800 0.7608358 6.329591       0.3823892 5.703243       0.5183411 7.077498       0.5664105 -2.720402      1.521672  
1 1 1 -2  30 4  o 55.22105 0.7723165 30.49989       0.8517498 29.57934       1.167626  31.54688       1.245228  -1.774349      1.544633  
1 1 1 -2  30 5  o 83.23598 0.9865025 69.50310       1.642138  70.29667       2.338974  68.73170       2.306044  0.9361572      1.973005  
1 1 1 -2  30 6  f 60.44578 1.143928  36.38795       1.375199  33.88173       1.830615  39.63436       2.083481  -4.723301      2.287855  
1 1 1 -2  30 7  o 48.67184 0.7470413 23.72283       0.7265863 23.44282       1.004606  24.02997       1.052138  -0.5988083     1.494083  
1 1 1 -2  30 8  o 16.32656 1.057465  2.716396       0.3391817 3.231489       0.4733008 2.172588       0.4863146 3.244568       2.114930  
1 1 1 -2  30 9  o 60.82197 0.8149619 36.92757       0.9891650 39.50613       1.458820  34.73312       1.345788  3.912083       1.629924  
1 1 1 -2  30 10 o 83.31642 0.9894623 69.62827       1.648081  68.49415       2.291291  70.84402       2.372297  -1.399879      1.978925  
1 1 1 -2  30 11 o 63.94775 0.8360622 40.93994       1.067980  39.87110       1.467554  42.14323       1.557126  -1.766720      1.672124  
1 1 1 -2  30 12 o 40.06091 0.7214179 16.03271       0.5771242 15.19063       0.7902260 16.99526       0.8448647 -2.247105      1.442836  
1 1 1 -2  30 13 f 82.15602 0.9801047 67.58170       1.607557  65.18330       2.195467  70.35384       2.360332  -3.124962      1.960209  
1 1 1 -2  30 14 o 29.49878 0.7443525 8.728706       0.4386319 8.936744       0.6103579 8.506512       0.6307845 0.7313023      1.488705  
1 1 1 -2  30 15 o 30.55772 0.7396193 9.349830       0.4513930 10.06047       0.6480210 8.680020       0.6291302 2.256840       1.479239  
1 1 1 -2  30 16 o 63.72623 0.8396729 40.68615       1.069499  39.72475       1.480617  41.73507       1.546537  -1.569557      1.679346  
1 1 1 -2  30 17 o 15.53644 1.525739  2.738142       0.4019109 1.855601       0.6980433 3.175798       0.4915660 -4.499575      3.051478  
1 1 1 -2  30 18 o 24.13031 1.255465  5.778559       0.6015977 5.042274       0.7993487 6.740434       0.9136339 -3.497782      2.510930  
1 1 1 -2  30 19 o 114.3115 1.669592  131.7263       3.722259  130.1337       4.751179  134.2572       5.989454  -1.501312      3.339185  
1 1 1 -2  30 20 o 67.68126 0.8782179 45.96029       1.188725  46.11327       1.674947  45.80503       1.687345  0.2293701      1.756436  
1 1 1 -2  30 21 o 7.570447 1.756684  0.5523065      0.3100886 0.6659364      0.4419894 0.4421642      0.4351535 1.055760       3.513368  
1 1 1 -2  30 22 o 73.97836 0.9233554 54.73684       1.362602  57.86316       2.017901  52.11655       1.847389  3.857224       1.846711  
1 1 1 -2  30 23 o 22.86272 0.8691052 5.211905       0.3954881 4.551240       0.5375882 5.991263       0.5838850 -3.142242      1.738210  
1 1 1 -2  30 24 o 25.64795 0.8267923 6.580235       0.4221209 7.526913       0.6145918 5.734856       0.5807804 3.488655       1.653585  
1 1 1 -2  30 25 o 34.07993 0.7562640 11.49079       0.5117083 9.881480       0.6823447 13.55897       0.7735327 -5.383179      1.512528  
1 1 1 -2  30 26 f 32.64631 0.7708750 10.68396       0.5031645 10.96809       0.7226167 10.41656       0.7010381 0.8416748      1.541750  
1 1 1 -2  30 27 o 90.53780 1.069157  82.35116       1.933823  79.89230       2.659608  85.10931       2.816836  -2.848831      2.138315  
1 1 1 -2  30 28 o 28.78067 0.8272461 8.308996       0.4758429 7.883365       0.6639686 8.758444       0.6822926 -1.517239      1.654492  
1 1 1 -2  30 29 o 127.5048 1.421778  164.4691       3.625670  164.4752       5.127068  164.4629       5.127875  0.5073547E-02  2.843555  
1 1 1 -2  30 30 o 12.89407 1.429788  1.689129       0.3571187 2.045997       0.5332062 1.398823       0.4809159 2.663377       2.859575  
1 1 1 -2  30 31 o 64.94624 0.8681837 42.31622       1.125724  43.38446       1.649557  41.38503       1.540103  1.518318       1.736367  
1 1 1 -2  30 32 o 55.61091 0.8175011 30.98585       0.9080873 29.02652       1.252594  33.15642       1.318390  -3.701118      1.635002  
1 1 1 -2  30 33 f 17.42554 1.098952  3.073513       0.3757309 2.993747       0.5874189 3.128744       0.4887985 -0.4127235     2.197903  
1 1 1 -2  30 34 o 19.01646 1.042337  3.650616       0.3931367 3.592554       0.5929131 3.696171       0.5251860 -0.2901459     2.084675  
1 1 1 -2  30 35 o 36.54285 0.7960717 13.44183       0.5798871 12.99633       0.8469601 13.83495       0.7956144 -1.157440      1.592143  
1 1 1 -2  30 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  31 1  o 71.42348 1.270453  51.24396       1.812890  53.16500       2.638985  49.52721       2.494720  2.521706       2.540905  
1 1 1 -2  31 2  o 45.99777 0.9141282 21.74766       0.7987607 23.06986       1.003137  19.45694       1.320374  3.965824       1.828256  
1 1 1 -2  31 3  o 75.66954 1.318854  57.42127       1.991229  60.83022       2.942373  54.54086       2.704666  4.113106       2.637709  
1 1 1 -2  31 4  o 31.99854 1.032879  10.27085       0.6605722 10.80704       0.9497485 9.768412       0.9193724 1.618652       2.065758  
1 1 1 -2  31 5  o 21.21070 1.143158  4.568790       0.4797392 3.940679       0.6945070 5.142006       0.6634645 -2.836691      2.286316  
1 1 1 -2  31 6  o 72.13323 0.9764204 52.10326       1.390461  52.97255       2.153949  51.48219       1.820628  0.9885254      1.952841  
1 1 1 -2  31 7  o 63.92516 0.8387460 40.96045       1.071919  40.43480       1.491522  41.52195       1.541561  -0.8445358     1.677492  
1 1 1 -2  31 8  o 69.41945 0.8766713 48.31708       1.216727  47.63930       1.693933  49.03947       1.748803  -1.001778      1.753343  
1 1 1 -2  31 9  o 30.22821 0.7353751 9.155442       0.4437764 9.914835       0.6348174 8.429654       0.6206130 2.455135       1.470750  
1 1 1 -2  31 10 o 76.22609 0.9325953 58.00187       1.416383  54.97144       1.905118  61.74691       2.117867  -4.415787      1.865191  
1 1 1 -2  31 11 o 25.45808 0.7995176 6.486742       0.4064269 6.309170       0.5563167 6.690007       0.5952004 -0.7434444     1.599035  
1 1 1 -2  31 12 f 41.52404 0.7301539 17.06534       0.6024538 15.33776       0.7992004 19.33907       0.9168650 -4.805496      1.460308  
1 1 1 -2  31 13 o 43.19359 0.9123803 18.74779       0.7434663 18.64100       1.284116  18.80163       0.9118391 -0.2350235     1.824761  
1 1 1 -2  31 14 o 29.71259 1.127031  8.791502       0.6663750 7.764940       0.8963028 10.06021       0.9964214 -3.845686      2.254061  
1 1 1 -2  31 15 o 36.48986 0.9795414 13.15476       0.6932803 12.53229       0.8701602 14.23664       1.147171  -2.293850      1.959083  
1 1 1 -2  31 16 o 13.76313 1.300704  1.940743       0.3360765 1.326233       0.4586882 2.652998       0.4938220 -4.964935      2.601409  
1 1 1 -2  31 17 o 61.88293 0.8331900 38.32769       1.029614  36.81002       1.409045  40.06645       1.508194  -2.617287      1.666380  
1 1 1 -2  31 18 o 24.49966 0.8260116 6.020552       0.4045020 5.970176       0.5614724 6.074912       0.5832536 -0.2106285     1.652023  
1 1 1 -2  31 19 o 35.16962 0.7398269 12.40270       0.5203588 12.40427       0.7398875 12.40116       0.7319732 0.3395081E-02  1.479654  
1 1 1 -2  31 20 o 44.23032 0.7567195 19.57485       0.6685168 18.77652       0.9170665 20.48018       0.9765896 -1.917957      1.513439  
1 1 1 -2  31 21 o 72.87744 0.9182832 53.27658       1.337454  54.83052       1.937420  51.86184       1.848597  2.022301       1.836566  
1 1 1 -2  31 22 o 8.823606 1.763843  0.8117108      0.3258113 0.7388437      0.4620559 0.8837704      0.4594883 -0.6955366     3.527687  
1 1 1 -2  31 23 f 50.92591 0.7834471 25.93231       0.7965205 27.53098       1.169835  24.55061       1.087560  2.914024       1.566894  
1 1 1 -2  31 24 o 42.09625 0.7661791 17.75859       0.6446980 18.46859       0.9301656 17.10220       0.8943688 1.617542       1.532358  
1 1 1 -2  31 25 o 42.07267 0.7708095 17.73924       0.6481547 17.19459       0.8965301 18.33562       0.9381435 -1.349617      1.541619  
1 1 1 -2  31 26 o 37.57259 0.7710803 14.16468       0.5793703 14.45334       0.8239728 13.88239       0.8148106 0.7583160      1.542161  
1 1 1 -2  31 27 o 19.39074 1.005628  3.770643       0.3883910 4.282716       0.5663331 3.315955       0.5336578 2.485529       2.011256  
1 1 1 -2  31 28 o 101.8698 1.178436  104.5893       2.399491  107.0078       3.467087  102.3660       3.324207  2.241112       2.356873  
1 1 1 -2  31 29 o 11.15597 1.624169  1.313986       0.3550883 1.035975       0.5174015 1.561512       0.4882103 -2.528260      3.248338  
1 1 1 -2  31 30 o 64.48809 0.8798520 41.51489       1.130164  44.96772       1.694613  38.74889       1.516729  4.785046       1.759704  
1 1 1 -2  31 31 o 33.63941 0.7904831 11.39237       0.5304128 10.89519       0.7677878 11.84627       0.7336127 -1.420353      1.580966  
1 1 1 -2  31 32 o 49.82944 0.7973641 24.78752       0.7910048 26.49276       1.189541  23.43578       1.059088  3.041595       1.594728  
1 1 1 -2  31 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  32 1  o 89.39208 1.047244  80.22756       1.871533  82.09911       2.694578  78.48325       2.601377  2.007843       2.094489  
1 1 1 -2  32 2  o 36.89639 0.7341537 13.44127       0.5374848 12.00603       0.7084295 15.38803       0.8250701 -4.570240      1.468307  
1 1 1 -2  32 3  o 16.89224 1.004632  2.873670       0.3382737 2.988884       0.4658488 2.745154       0.4920045 0.7253723      2.009264  
1 1 1 -2  32 4  o 34.74062 0.7254064 12.09830       0.5037562 12.59857       0.7146677 11.60428       0.7101910 1.430534       1.450813  
1 1 1 -2  32 5  o 16.09307 1.061902  2.583989       0.3403201 2.284993       0.4614359 2.940601       0.5039384 -2.030032      2.123805  
1 1 1 -2  32 6  o 47.72287 0.7490382 22.69385       0.7127762 24.88105       1.056809  20.86858       0.9654150 4.193321       1.498076  
1 1 1 -2  32 7  o 15.22098 1.122181  2.324103       0.3407648 2.254108       0.4631238 2.406734       0.5031945 -0.4942808     2.244362  
1 1 1 -2  32 8  o 60.81603 1.006462  37.06464       1.155766  37.43473       2.000231  36.87915       1.416091  0.3635101      2.012924  
1 1 1 -2  32 9  o 36.14582 1.496726  13.13328       1.082008  13.13328       1.082008  ?              ?         ?              ?         
1 1 1 -2  32 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  32 11 o 18.03253 1.913655  3.280697       0.6901606 3.280697       0.6901606 ?              ?         ?              ?         
1 1 1 -2  32 12 o 42.22940 1.017331  17.91370       0.8588130 18.71362       1.229743  17.15214       1.199897  1.843494       2.034662  
1 1 1 -2  32 13 o 42.94337 1.028418  18.38634       0.8789012 17.06602       1.173675  20.07200       1.326154  -3.472321      2.056836  
1 1 1 -2  32 14 o 14.95218 1.367903  2.332366       0.3906861 1.961821       0.6243829 2.570790       0.5008467 -2.065358      2.735806  
1 1 1 -2  32 15 o 30.18908 0.7866752 9.078303       0.4717501 10.70913       0.6968200 7.698363       0.6409830 4.978800       1.573350  
1 1 1 -2  32 16 o 38.74640 0.7483256 15.02504       0.5793199 14.29924       0.7988077 15.83034       0.8414160 -1.970127      1.496651  
1 1 1 -2  32 17 o 21.74356 0.9062892 4.784170       0.3896159 5.605576       0.5506054 3.960403       0.5513955 3.783251       1.812578  
1 1 1 -2  32 18 o 13.96569 1.233752  1.967548       0.3442735 2.010952       0.4799567 1.921548       0.4941041 0.3233242      2.467503  
1 1 1 -2  32 19 o 32.45083 0.7612503 10.55630       0.4938454 10.32027       0.6860243 10.81017       0.7114765 -0.7510948     1.522501  
1 1 1 -2  32 20 o 43.04955 0.7532274 18.55214       0.6478331 19.57059       0.9418465 17.63762       0.8924931 2.237698       1.506455  
1 1 1 -2  32 21 o 69.79188 0.9010649 48.93289       1.257682  48.94921       1.770315  48.91627       1.787066  0.2661133E-01  1.802130  
1 1 1 -2  32 22 o 61.87930 0.8497837 38.18929       1.047477  41.42477       1.569551  35.59100       1.406532  4.685131       1.699567  
1 1 1 -2  32 23 o 65.92781 0.8760852 43.66046       1.154942  44.30610       1.653393  43.04523       1.613990  0.9486160      1.752170  
1 1 1 -2  32 24 o 65.55231 0.8768822 43.07009       1.147707  45.00883       1.683622  41.38705       1.568673  2.740097       1.753764  
1 1 1 -2  32 25 o 24.97411 0.8741164 6.244551       0.4355513 6.885999       0.6356320 5.676784       0.5980129 2.413677       1.748233  
1 1 1 -2  32 26 o 37.63979 0.7862171 14.21252       0.5915685 14.84105       0.8492224 13.62002       0.8245323 1.617573       1.572434  
1 1 1 -2  32 27 o 25.66876 0.8863861 6.614546       0.4543073 6.101953       0.6309376 7.166470       0.6546959 -2.068577      1.772772  
1 1 1 -2  32 28 o 14.81872 1.274536  2.226600       0.3767668 2.113917       0.5431477 2.331110       0.5230763 -0.7392340     2.549071  
1 1 1 -2  32 29 o 45.49792 0.8085159 20.75888       0.7350548 21.90491       1.064598  19.71479       1.016142  2.397129       1.617032  
1 1 1 -2  32 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  32 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  33 1  o 119.9262 1.336922  144.8162       3.201239  140.4172       4.377814  149.8717       4.693082  -3.867500      2.673843  
1 1 1 -2  33 2  o 47.19914 0.7572872 22.33173       0.7146149 23.18284       1.021298  21.51530       1.000267  1.763683       1.514574  
1 1 1 -2  33 3  o 122.6860 1.663170  154.2616       3.932947  146.0290       6.392077  159.2769       4.989118  -5.804909      3.326341  
1 1 1 -2  33 4  f 37.24747 1.027341  13.94403       0.7647828 13.87385       1.060706  14.02001       1.103707  -0.1884041     2.054682  
1 1 1 -2  33 5  o 75.10773 1.307639  56.88850       1.964190  57.52079       2.792733  56.26956       2.763073  0.8261108      2.615278  
1 1 1 -2  33 6  o 13.81327 1.250557  1.919568       0.3448116 1.871426       0.4708006 1.975269       0.5064198 -0.3680029     2.501114  
1 1 1 -2  33 7  o 117.3553 1.312809  138.8361       3.080123  141.5949       4.431246  136.2572       4.284371  2.240005       2.625618  
1 1 1 -2  33 8  o 63.87675 0.8455153 40.93126       1.079933  42.02004       1.545533  39.89251       1.509613  1.659927       1.691031  
1 1 1 -2  33 9  o 37.16061 0.7367380 13.84471       0.5471913 14.54416       0.7801046 13.16727       0.7677342 1.850983       1.473476  
1 1 1 -2  33 10 o 66.88089 0.8670571 44.81341       1.158424  46.75549       1.689219  43.08920       1.591648  2.725517       1.734114  
1 1 1 -2  33 11 o 32.90189 0.7563615 10.84920       0.4974338 10.61569       0.6895565 11.10256       0.7182776 -0.7358475     1.512723  
1 1 1 -2  33 12 o 70.82137 0.8994658 50.35238       1.273746  51.42777       1.824730  49.33040       1.778844  1.472946       1.798932  
1 1 1 -2  33 13 o 16.78390 1.050139  2.832928       0.3523885 2.939159       0.5032476 2.730733       0.4935978 0.6189499      2.100278  
1 1 1 -2  33 14 o 33.49376 0.7623528 11.03346       0.5054610 9.310809       0.6654658 13.38260       0.7771093 -6.061655      1.524706  
1 1 1 -2  33 15 o 19.13647 0.9846439 3.684688       0.3762362 3.732387       0.5194214 3.632039       0.5457080 0.2673435      1.969288  
1 1 1 -2  33 16 o 42.37714 0.7572124 17.96300       0.6408087 19.12668       0.9368487 16.93987       0.8784485 2.571308       1.514425  
1 1 1 -2  33 17 o 22.82585 0.8817923 5.237206       0.4022349 5.460877       0.5677190 5.011751       0.5699799 0.9842224      1.763585  
1 1 1 -2  33 18 o 8.188992 1.759102  0.6699093      0.3314879 0.9703369      0.4601908 0.3459145      0.4778999 2.780540       3.518203  
1 1 1 -2  33 19 o 46.52951 0.8334178 21.86511       0.7712451 23.60843       1.066935  19.95729       1.116139  3.932587       1.666836  
1 1 1 -2  33 20 o 43.32630 0.9237101 18.88893       0.7683025 18.93375       0.9610539 18.80957       1.278907  0.2074356      1.847420  
1 1 1 -2  33 21 o 76.67226 1.220363  59.71136       1.853159  62.51449       2.490827  56.23612       2.773414  4.170456       2.440727  
1 1 1 -2  33 22 o 42.34789 1.033541  17.97340       0.8731247 19.80373       1.282208  16.39085       1.192262  4.008366       2.067082  
1 1 1 -2  33 23 o 40.51287 1.027050  16.49594       0.8311096 17.70279       1.203053  15.39413       1.149507  2.836327       2.054101  
1 1 1 -2  33 24 o 29.82924 1.066925  8.966701       0.6362827 9.307492       0.9068515 8.636248       0.8929880 1.121487       2.133851  
1 1 1 -2  33 25 f 33.88741 1.030961  11.57208       0.6985736 11.66094       0.9798706 11.48022       0.9961964 0.2708893      2.061922  
1 1 1 -2  33 26 f 28.38997 1.540827  0.000000       0.000000  ?              ?         8.125956       0.8748805 ?              ?         
1 1 1 -2  33 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  34 1  f 35.24421 0.7512394 12.46205       0.5292239 13.02518       0.7519129 11.90923       0.7450060 1.582134       1.502479  
1 1 1 -2  34 2  o 34.93848 0.7520095 12.23771       0.5244390 13.32930       0.7527457 11.20809       0.7310668 3.032398       1.504019  
1 1 1 -2  34 3  f 37.35569 0.7517693 14.00567       0.5608238 14.97701       0.7971321 13.05362       0.7891769 2.573238       1.503539  
1 1 1 -2  34 4  o 51.03642 0.7761338 26.11316       0.7916151 25.59595       1.094297  26.68096       1.146556  -1.054890      1.552268  
1 1 1 -2  34 5  o 61.00111 0.8287908 37.34787       1.010815  37.06652       1.409411  37.64587       1.450491  -0.4680748     1.657582  
1 1 1 -2  34 6  f 107.1212 1.217690  115.6966       2.608418  114.8737       3.652303  116.5533       3.726538  -0.7659302     2.435380  
1 1 1 -2  34 7  f 33.93439 0.7490817 11.50156       0.5072780 10.69615       0.6913247 12.44108       0.7466662 -2.562717      1.498163  
1 1 1 -2  34 8  o 66.34221 0.8646313 44.18783       1.146889  43.67019       1.599027  44.73625       1.645881  -0.7952423     1.729263  
1 1 1 -2  34 9  o 22.24711 0.8834443 4.981797       0.3922238 5.301035       0.5507344 4.653224       0.5587283 1.457401       1.766889  
1 1 1 -2  34 10 o 28.96467 0.7858603 8.429426       0.4538477 9.269922       0.6463378 7.611938       0.6374300 2.860596       1.571721  
1 1 1 -2  34 11 o 17.89692 1.007581  3.220855       0.3580367 2.723418       0.4954633 3.764504       0.5179666 -2.903629      2.015162  
1 1 1 -2  34 12 o 40.47940 0.7518374 16.44780       0.6084760 16.60094       0.8520045 16.28839       0.8692858 0.3889580      1.503675  
1 1 1 -2  34 13 f 33.06630 0.7830765 10.88348       0.5126067 13.29047       0.7607839 8.882135       0.6937194 6.654274       1.566153  
1 1 1 -2  34 14 o 13.43213 1.328199  1.870727       0.3392464 2.348468       0.4832270 1.406429       0.4763800 3.665977       2.656399  
1 1 1 -2  34 15 o 37.48249 0.7554344 14.08115       0.5659410 13.54584       0.7838204 14.66415       0.8179959 -1.486069      1.510869  
1 1 1 -2  34 16 o 34.32588 0.7724842 11.79378       0.5294300 12.77732       0.7704462 10.91382       0.7287470 2.707207       1.544968  
1 1 1 -2  34 17 o 55.19707 0.8142239 30.56079       0.8983053 31.88645       1.296388  29.33636       1.245906  2.300571       1.628448  
1 1 1 -2  34 18 o 30.60800 0.8093981 9.376892       0.4928519 10.81513       0.7188041 8.100844       0.6770631 4.426033       1.618796  
1 1 1 -2  34 19 o 47.55912 0.7802026 22.63836       0.7408760 24.18019       1.085340  21.29303       1.013826  3.021732       1.560405  
1 1 1 -2  34 20 o 21.35209 0.9494623 4.587525       0.4053835 4.715018       0.5773270 4.463529       0.5693537 0.5869999      1.898925  
1 1 1 -2  34 21 o 71.10149 0.9232932 50.85311       1.312845  50.50876       1.842738  51.20805       1.870867  -0.4852829     1.846586  
1 1 1 -2  34 22 o 22.98598 1.068744  5.430365       0.4764257 4.840867       0.7487482 5.831409       0.6175759 -2.188282      2.137488  
1 1 1 -2  34 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  35 1  o 23.43893 0.8965722 5.554117       0.4154644 6.575280       0.5913480 4.558738       0.5838348 4.300222       1.793144  
1 1 1 -2  35 2  o 42.31786 0.7585670 17.95876       0.6413268 17.69495       0.8839427 18.25196       0.9319029 -0.6500854     1.517134  
1 1 1 -2  35 3  f 27.81569 0.8079930 7.748557       0.4483772 7.013811       0.6185722 8.562014       0.6508617 -2.777208      1.615986  
1 1 1 -2  35 4  o 73.21389 0.9238937 53.89008       1.352798  53.98542       1.906877  53.79347       1.919476  0.1336670      1.847787  
1 1 1 -2  35 5  o 15.83693 1.166966  2.507213       0.3623820 1.884741       0.4886505 3.267910       0.5401874 -4.353749      2.333933  
1 1 1 -2  35 6  o 15.38119 1.147631  2.383821       0.3526722 2.350174       0.4863552 2.421131       0.5121518 -0.2240410     2.295262  
1 1 1 -2  35 7  o 39.42033 0.7644582 15.59997       0.6025278 15.71122       0.8437418 15.48419       0.8607178 0.2908974      1.528916  
1 1 1 -2  35 8  o 78.26464 0.9657493 61.46078       1.508713  59.20664       2.057173  64.08428       2.219328  -3.080490      1.931499  
1 1 1 -2  35 9  o 88.81363 1.055849  79.38995       1.874297  77.84141       2.596044  81.07603       2.708869  -1.793633      2.111697  
1 1 1 -2  35 10 o 77.36951 0.9599892 60.07515       1.482813  57.87852       2.024783  62.61579       2.177571  -3.027298      1.919978  
1 1 1 -2  35 11 o 60.53809 0.8355922 36.79629       1.011265  36.05418       1.405171  37.59360       1.456501  -1.261303      1.671184  
1 1 1 -2  35 12 o 39.48754 0.7567917 15.59136       0.5963779 17.03780       0.8734816 14.32829       0.8162369 3.420372       1.513583  
1 1 1 -2  35 13 o 20.43902 0.9580324 4.205121       0.3914264 4.226263       0.5457274 4.182720       0.5617408 0.1103268      1.916065  
1 1 1 -2  35 14 o 62.95476 0.8544871 39.73756       1.074437  41.92320       1.569356  37.80925       1.474081  3.246841       1.708974  
1 1 1 -2  35 15 o 20.01208 0.9683914 4.032228       0.3875086 4.087052       0.5450048 3.976174       0.5510856 0.2785034      1.936783  
1 1 1 -2  35 16 o 40.16557 0.7680950 16.13043       0.6156550 17.60563       0.9032398 14.85037       0.8413829 3.418228       1.536190  
1 1 1 -2  35 17 f 29.52636 0.8208542 8.757285       0.4846752 8.675504       0.6789472 8.842268       0.6921108 -0.2797565     1.641708  
1 1 1 -2  35 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  35 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  36 1  o 54.03262 1.003225  29.67072       1.014851  30.18667       1.240557  28.62685       1.764554  1.572033       2.006450  
1 1 1 -2  36 2  o 15.55346 1.708189  2.503947       0.5100974 1.951375       0.7021837 3.121389       0.7422563 -3.951903      3.416377  
1 1 1 -2  36 3  f 21.73667 1.325673  4.796525       0.5730776 5.408497       0.8141656 4.195586       0.8067930 2.787592       2.651345  
1 1 1 -2  36 4  o 18.30588 1.333847  3.573864       0.4580474 2.766025       0.7380890 4.079855       0.5841408 -3.637262      2.667694  
1 1 1 -2  36 5  o 58.15605 0.8286930 33.95525       0.9632712 33.23298       1.334124  34.74186       1.392279  -1.285393      1.657386  
1 1 1 -2  36 6  f 45.37920 0.7795425 20.42683       0.7030362 23.70368       1.060927  17.86133       0.9387354 6.413937       1.559085  
1 1 1 -2  36 7  f 68.35995 0.8974872 46.88556       1.225058  45.24213       1.675643  48.77263       1.795553  -2.556023      1.794974  
1 1 1 -2  36 8  o 57.25816 0.8251374 32.76757       0.9423653 35.45097       1.395759  30.51965       1.277492  4.282379       1.650275  
1 1 1 -2  36 9  o 58.94646 1.397059  35.51803       1.280050  34.73016       2.945926  35.70140       1.421229  -1.314400      2.794118  
1 1 1 -2  36 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  36 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -2  36 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  0  1  o 183.3499 2.726096  334.7924       9.940256  356.3453       14.95094  317.7175       13.30745  -0.000000      0.000000  
1 1 1 -1  0  2  o 134.6008 2.023902  181.2418       5.436494  177.2360       7.477402  185.7339       7.918255  -0.000000      0.000000  
1 1 1 -1  0  3  o 196.8977 4.189306  388.3998       16.48067  388.3998       16.48067  388.3998       16.48067  -0.000000      0.000000  
1 1 1 -1  0  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  0  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  0  7  o 109.9685 2.357537  121.1155       5.179791  121.1155       5.179791  121.1155       5.179791  -0.000000      0.000000  
1 1 1 -1  0  8  o 264.1140 3.904845  686.5870       20.29695  632.1212       26.13649  769.3383       32.21611  -0.000000      0.000000  
1 1 1 -1  0  9  f 421.6847 6.255237  1746.759       51.69641  1972.101       83.33343  1605.786       65.91238  -0.000000      0.000000  
1 1 1 -1  0  10 o 356.6048 5.250210  1272.094       37.32697  1319.596       54.99511  1231.519       50.82749  -0.000000      0.000000  
1 1 1 -1  0  11 o 442.7945 6.522151  1916.696       56.41872  1743.134       71.37621  2205.717       92.10659  -0.000000      0.000000  
1 1 1 -1  0  12 o 31.27024 0.6732922 9.805851       0.4202127 9.754678       0.5948808 9.856812       0.5936621 -0.000000      0.000000  
1 1 1 -1  0  13 o 21.43212 0.6208588 4.606808       0.2648665 4.890273       0.3844536 4.350709       0.3654260 -0.000000      0.000000  
1 1 1 -1  0  14 o 84.27937 1.326405  71.13999       2.233276  71.14778       3.166945  71.13228       3.149782  -0.000000      0.000000  
1 1 1 -1  0  15 o 668.3153 11.85841  4555.924       155.9189  3989.092       231.5745  5025.978       210.8807  -0.000000      0.000000  
1 1 1 -1  0  16 o 661.1999 9.724323  4315.970       126.5925  3994.854       163.2682  4800.042       200.4592  -0.000000      0.000000  
1 1 1 -1  0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  0  18 o 403.3549 5.937531  1630.573       47.85115  1619.971       67.37534  1641.363       67.97209  -0.000000      0.000000  
1 1 1 -1  0  19 o 78.31599 1.249386  61.40851       1.954189  60.55031       2.725460  62.31654       2.803473  -0.000000      0.000000  
1 1 1 -1  0  20 o 416.3570 6.124663  1734.702       50.87651  1791.573       74.41395  1684.786       69.71609  -0.000000      0.000000  
1 1 1 -1  0  21 o 833.5392 12.29936  6988.632       204.7336  6848.602       284.0189  7140.098       295.3900  -0.000000      0.000000  
1 1 1 -1  0  22 f 478.7733 7.043922  2286.782       67.05600  2177.024       89.70252  2425.802       100.9546  -0.000000      0.000000  
1 1 1 -1  0  23 o 222.7142 3.302732  496.8204       14.69417  492.1494       20.54743  501.7097       21.02208  -0.000000      0.000000  
1 1 1 -1  0  24 o 50.86092 0.9470409 25.92256       0.9617256 25.96896       1.372506  25.87781       1.347996  -0.000000      0.000000  
1 1 1 -1  0  25 o 148.2137 2.226338  219.9502       6.590601  216.7805       9.178017  223.3246       9.469869  -0.000000      0.000000  
1 1 1 -1  0  26 o 54.80042 1.200666  30.77865       1.284233  25.32766       1.903417  35.33348       1.739934  -0.000000      0.000000  
1 1 1 -1  0  27 o 196.6133 2.926851  387.2430       11.49495  381.9824       16.04189  392.7946       16.47956  -0.000000      0.000000  
1 1 1 -1  0  28 o 47.08270 0.9005423 22.21666       0.8465872 21.92837       1.191953  22.51013       1.202629  -0.000000      0.000000  
1 1 1 -1  0  29 o 87.86995 1.390607  77.33729       2.440980  76.73927       3.429091  77.95161       3.475513  -0.000000      0.000000  
1 1 1 -1  0  30 o 194.3903 2.897262  378.7269       11.25282  377.6859       15.90154  379.7711       15.92628  -0.000000      0.000000  
1 1 1 -1  0  31 o 202.1783 3.007120  409.6826       12.14574  405.8224       17.00390  413.7039       17.35483  -0.000000      0.000000  
1 1 1 -1  0  32 o 152.0302 2.290391  231.5567       6.955781  229.2973       9.723845  233.9245       9.954117  -0.000000      0.000000  
1 1 1 -1  0  33 o 15.12975 1.155405  2.367756       0.3400688 2.715424       0.4911729 2.047649       0.4713021 -0.000000      0.000000  
1 1 1 -1  0  34 o 77.12360 1.268156  59.59128       1.953727  59.78639       2.770066  59.39815       2.755963  -0.000000      0.000000  
1 1 1 -1  0  35 o 18.09607 1.136425  3.339220       0.4039232 3.021545       0.5535347 3.701043       0.5907465 -0.000000      0.000000  
1 1 1 -1  0  36 o 98.27067 1.546847  96.73954       3.036270  95.50756       4.244151  98.03107       4.345511  -0.000000      0.000000  
1 1 1 -1  0  37 o 62.77818 1.111710  39.49986       1.393745  39.26402       1.981299  39.73087       1.960963  -0.000000      0.000000  
1 1 1 -1  0  38 o 67.45406 1.158808  45.59760       1.561191  45.81168       2.221632  45.38875       2.194337  -0.000000      0.000000  
1 1 1 -1  0  39 o 28.55541 0.9460586 8.213108       0.5375534 7.988232       0.7622563 8.435593       0.7581908 -0.000000      0.000000  
1 1 1 -1  0  40 o 60.32389 1.089256  36.39347       1.310495  34.82635       1.797221  38.17274       1.915024  -0.000000      0.000000  
1 1 1 -1  0  41 o 32.36308 0.9201796 10.51163       0.5928926 9.891299       0.8214024 11.18636       0.8566622 -0.000000      0.000000  
1 1 1 -1  0  42 o 113.7061 1.767681  129.7122       4.015135  130.6724       5.729877  128.7858       5.628010  -0.000000      0.000000  
1 1 1 -1  0  43 f 38.99096 0.9377251 15.26363       0.7293805 15.14421       1.026712  15.38529       1.036355  -0.000000      0.000000  
1 1 1 -1  0  44 o 5.158926 2.100559  0.2994975      0.3512536 0.1119609      0.4754842 0.5247818      0.5211450 -0.000000      0.000000  
1 1 1 -1  0  45 f 22.41533 1.569428  5.102866       0.6966258 5.102866       0.6966258 5.102866       0.6966258 -0.000000      0.000000  
1 1 1 -1  0  46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  0  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  0  48 o 35.40482 0.9792890 12.60898       0.6905794 12.53961       0.9950039 12.67344       0.9592316 -0.000000      0.000000  
1 1 1 -1  0  49 o 71.15859 1.239079  50.81896       1.760840  50.12792       2.467087  51.53653       2.513983  -0.000000      0.000000  
1 1 1 -1  0  50 o 12.92121 2.216734  1.939359       0.4864470 1.967479       0.7732458 1.920940       0.6257951 -0.000000      0.000000  
1 1 1 -1  0  51 o 45.39885 1.072300  20.67353       0.9671896 21.18043       1.442366  20.25939       1.303741  -0.000000      0.000000  
1 1 1 -1  0  52 o 100.3242 1.625803  101.2353       3.256441  102.5617       4.698318  100.0090       4.517602  -0.000000      0.000000  
1 1 1 -1  0  53 f 20.79879 1.433697  4.592841       0.5656514 3.802135       0.8635612 5.187039       0.7486022 -0.000000      0.000000  
1 1 1 -1  0  54 o 91.04980 1.520899  83.32639       2.762199  85.31400       4.033184  81.57053       3.790758  -0.000000      0.000000  
1 1 1 -1  0  55 o 63.49767 1.221753  40.55100       1.548587  39.81910       2.202125  41.26705       2.178138  -0.000000      0.000000  
1 1 1 -1  0  56 o 27.80927 1.218160  7.858237       0.6642494 7.796831       1.017148  7.903898       0.8771119 -0.000000      0.000000  
1 1 1 -1  0  57 o 48.77386 1.146909  23.94522       1.111904  23.96091       1.644907  23.93202       1.508829  -0.000000      0.000000  
1 1 1 -1  0  58 o 7.752803 2.653788  0.8952786      0.5466990 0.2560663      0.8972293 1.272738       0.6894711 -0.000000      0.000000  
1 1 1 -1  0  59 o 6.880572 2.730745  0.6659912      0.5483648 0.5947820      0.9191854 0.7053388      0.6832730 -0.000000      0.000000  
1 1 1 -1  0  60 o 86.33888 2.100792  75.19166       3.622834  75.19166       3.622834  75.19166       3.622834  -0.000000      0.000000  
1 1 1 -1  0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  1  1  o 201.6029 3.007380  404.1191       12.05984  431.9891       18.23442  382.4495       16.07867  12.26120       6.014760  
1 1 1 -1  1  2  o 278.7653 4.105118  778.4315       22.88458  785.2416       32.66592  771.8677       32.06969  2.389252       8.210237  
1 1 1 -1  1  3  o 24.12880 0.5845877 5.583444       0.2761503 4.429932       0.3529381 7.404440       0.4434474 -6.163609      1.169175  
1 1 1 -1  1  4  o 222.9259 2.956342  499.3106       12.99135  509.0417       17.08184  485.9597       20.00836  5.210342       5.912684  
1 1 1 -1  1  5  o 127.9763 1.358424  163.8119       3.476916  164.1580       4.920892  163.4669       4.913321  0.2699890      2.716847  
1 1 1 -1  1  6  o 180.6409 2.324790  324.5695       7.843112  321.1621       9.494877  331.8884       13.91568  -2.930099      4.649580  
1 1 1 -1  1  7  o 344.4118 5.062380  1187.930       34.83192  1158.777       47.92488  1220.573       50.71279  -8.917358      10.12476  
1 1 1 -1  1  8  o 232.8331 3.433518  539.6593       15.90848  513.5206       21.26404  572.8882       23.97512  -12.71367      6.867037  
1 1 1 -1  1  9  f 137.4710 2.057260  189.0556       5.655983  187.9165       7.950693  190.2227       8.047728  -0.8380432     4.114520  
1 1 1 -1  1  10 o 109.2377 1.665024  117.7863       3.598598  109.3262       4.694383  129.8422       5.603946  -9.384842      3.330048  
1 1 1 -1  1  11 o 245.2718 3.169850  588.9059       14.16873  634.4268       26.59247  570.8602       16.74325  12.84409       6.339700  
1 1 1 -1  1  12 o 99.00188 1.072567  96.63817       2.099653  89.43416       2.733243  107.0099       3.279575  -8.874405      2.145134  
1 1 1 -1  1  13 o 182.2334 1.915609  332.0326       6.978197  337.0592       10.05907  327.3693       9.688667  2.656479       3.831218  
1 1 1 -1  1  14 o 106.5692 1.148574  113.4274       2.445318  116.6635       3.560620  110.5385       3.364142  2.873184       2.297148  
1 1 1 -1  1  15 o 424.3524 4.415240  1795.064       37.33260  1887.505       55.74169  1719.871       50.27329  19.70407       8.830481  
1 1 1 -1  1  16 o 506.9861 5.277184  2513.948       52.40862  2298.331       66.57056  2865.423       84.99397  -55.75021      10.55437  
1 1 1 -1  1  17 o 28.89725 1.025994  8.054831       0.5820375 6.451725       0.7492214 10.49493       0.9243421 -6.995487      2.051987  
1 1 1 -1  1  18 o 451.2642 4.697095  2038.433       42.38464  2060.926       60.64959  2016.961       59.25653  4.858490       9.394191  
1 1 1 -1  1  19 o 298.5764 3.107797  891.7245       18.55368  881.6862       25.89760  902.3099       26.59398  -3.449310      6.215594  
1 1 1 -1  1  20 o 55.71655 0.6871160 31.01324       0.7652079 30.18353       1.059753  31.91706       1.106067  -1.555599      1.374232  
1 1 1 -1  1  21 o 255.1849 2.658514  651.0306       13.55962  638.6736       18.77941  664.4901       19.59925  -5.052917      5.317029  
1 1 1 -1  1  22 o 375.1600 3.897795  1409.116       29.24527  1402.203       41.19027  1416.144       41.52993  -1.854218      7.795589  
1 1 1 -1  1  23 o 227.7072 2.378189  518.7756       10.83056  519.4302       15.34405  518.1255       15.28955  0.2860260      4.756377  
1 1 1 -1  1  24 o 218.0013 2.279649  474.9613       9.929379  487.3444       14.43382  463.8364       13.68093  5.385025       4.559299  
1 1 1 -1  1  25 o 228.3781 2.385198  521.8982       10.89355  518.1128       15.28318  525.8076       15.53144  -1.681931      4.770397  
1 1 1 -1  1  26 o 169.4328 1.786661  287.0981       6.052350  283.0414       8.429494  291.4148       8.695327  -2.468475      3.573322  
1 1 1 -1  1  27 o 162.7728 1.720201  264.9802       5.598059  261.2799       7.794044  268.9233       8.045650  -2.345184      3.440402  
1 1 1 -1  1  28 o 63.46357 0.7600921 40.24384       0.9641587 39.27593       1.335016  41.29908       1.393945  -1.593609      1.520184  
1 1 1 -1  1  29 o 31.44512 0.5636758 9.772237       0.3522047 8.461958       0.4714908 11.42647       0.5297734 -4.713528      1.127352  
1 1 1 -1  1  30 o 83.78011 0.9458686 69.82989       1.578733  74.32327       2.362431  66.20397       2.122174  4.843819       1.891737  
1 1 1 -1  1  31 o 169.0766 1.785003  286.0626       6.035511  283.9580       8.468328  288.2354       8.604301  -1.262833      3.570006  
1 1 1 -1  1  32 o 139.8998 1.492423  195.7811       4.174872  198.2442       5.980188  193.4394       5.830962  1.715149       2.984846  
1 1 1 -1  1  33 o 82.36243 0.9390380 66.59129       1.525400  60.77057       1.969103  75.32633       2.412199  -8.832100      1.878076  
1 1 1 -1  1  34 o 12.82329 0.9805349 1.642364       0.2505784 1.843100       0.3621112 1.457917       0.3471074 1.501719       1.961070  
1 1 1 -1  1  35 o 167.5190 1.773736  280.8689       5.941291  284.3658       8.513562  277.5490       8.295200  2.029633       3.547472  
1 1 1 -1  1  36 o 47.95766 0.6760910 22.90751       0.6470172 24.50564       0.9546720 21.54983       0.8799319 3.080894       1.352182  
1 1 1 -1  1  37 o 94.50945 1.058768  89.15414       1.997395  86.10860       2.724599  92.69260       2.936808  -3.479301      2.117536  
1 1 1 -1  1  38 o 64.77820 0.7981282 41.80663       1.031213  39.75848       1.396890  44.25961       1.528722  -3.471939      1.596256  
1 1 1 -1  1  39 o 77.34419 0.9045049 59.59449       1.394855  56.69093       1.884804  63.11017       2.073984  -4.145309      1.809010  
1 1 1 -1  1  40 f 82.81293 0.9533205 68.00854       1.568479  73.95799       2.390946  63.51402       2.078133  6.296158       1.906641  
1 1 1 -1  1  41 o 103.6252 1.148538  107.5239       2.380347  107.5924       3.364265  107.4552       3.368377  0.6637573E-01  2.297076  
1 1 1 -1  1  42 o 18.15599 0.8001812 3.305097       0.2811914 2.282366       0.3829130 4.502158       0.4142642 -6.112042      1.600362  
1 1 1 -1  1  43 o 37.94230 0.9333887 14.40311       0.7080553 14.83540       1.017102  13.99661       0.9862914 1.103992       1.866777  
1 1 1 -1  1  44 o 67.65434 1.184236  45.58268       1.595934  42.84785       2.142860  48.98911       2.391544  -4.523140      2.368472  
1 1 1 -1  1  45 o 71.72794 1.230950  51.56771       1.765742  51.04846       2.478912  52.10252       2.515770  -0.7321854     2.461901  
1 1 1 -1  1  46 o 124.1185 1.357545  153.8118       3.355901  162.9210       5.029075  146.4995       4.505839  6.566887       2.715090  
1 1 1 -1  1  47 o 27.60431 0.7318708 7.626236       0.4034354 7.065259       0.5643180 8.212671       0.5769805 -2.077665      1.463742  
1 1 1 -1  1  48 o 83.53867 1.382449  70.02712       2.307830  68.41810       3.186396  71.80251       3.347059  -2.007225      2.764898  
1 1 1 -1  1  49 o 10.25663 1.754347  1.039682       0.4107334 0.2506537      0.5767014 1.851914       0.5851196 -6.620251      3.508694  
1 1 1 -1  1  50 o 74.47668 1.103370  56.02854       1.566556  54.45705       2.632121  56.89055       1.949420  -1.711525      2.206740  
1 1 1 -1  1  51 o 55.15203 0.7813645 30.47961       0.8618122 30.15760       1.221498  30.79877       1.216093  -0.5817642     1.562729  
1 1 1 -1  1  52 f 21.79749 0.8533324 4.746592       0.3711464 5.009431       0.5481801 4.524130       0.5043194 1.108469       1.706665  
1 1 1 -1  1  53 o 46.45937 0.7634156 21.44238       0.7059705 19.68171       0.9439954 23.67673       1.063427  -4.287098      1.526831  
1 1 1 -1  1  54 o 49.22976 0.7839057 24.22418       0.7705892 25.62870       1.129351  23.00062       1.054092  2.660622       1.567811  
1 1 1 -1  1  55 f 85.62045 1.026565  73.52269       1.755870  71.18514       2.413548  76.15089       2.559198  -2.876709      2.053130  
1 1 1 -1  1  56 o 21.16477 1.030895  4.480711       0.4331563 3.769568       0.5917851 5.301376       0.6357234 -3.610863      2.061790  
1 1 1 -1  1  57 o 39.04499 0.7965939 15.24704       0.6211014 14.34430       0.8513243 16.27436       0.9081691 -2.463474      1.593188  
1 1 1 -1  1  58 o 33.10292 0.8497707 11.00465       0.5623205 11.43045       0.7968096 10.58220       0.7936822 1.280708       1.699541  
1 1 1 -1  1  59 o 19.72088 1.156632  3.919604       0.4560963 3.813341       0.6383209 4.030447       0.6519295 -0.5470238     2.313263  
1 1 1 -1  1  60 o 35.82343 1.151516  12.95618       0.8239707 13.42283       1.151345  12.46625       1.179714  1.342392       2.303031  
1 1 1 -1  1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  2  1  o 312.8062 3.274148  977.5916       20.45466  943.1271       28.03521  1016.820       29.91025  -11.75562      6.548297  
1 1 1 -1  2  2  o 303.5121 3.175227  922.0991       19.27215  915.2218       27.01174  929.2298       27.50482  -2.301575      6.350454  
1 1 1 -1  2  3  o 232.8593 2.431255  542.5031       11.32163  537.1855       15.87250  548.0106       16.15360  -2.321732      4.862510  
1 1 1 -1  2  4  o 305.2719 3.209717  928.5123       19.51157  978.6088       29.25941  888.3959       26.18320  14.73776       6.419434  
1 1 1 -1  2  5  o 301.3835 3.935919  895.7947       23.54001  779.9367       31.16275  1049.759       35.92381  -44.69196      7.871837  
1 1 1 -1  2  6  o 282.5419 3.418570  769.0561       18.66396  915.4186       31.65868  691.0897       23.10636  39.58646       6.837140  
1 1 1 -1  2  7  o 270.8825 3.068884  730.9571       16.34887  753.6841       25.74423  715.5970       21.16437  6.976929       6.137767  
1 1 1 -1  2  8  o 196.1700 2.051351  382.4660       8.002596  362.7848       10.66050  407.8753       12.11287  -11.48146      4.102702  
1 1 1 -1  2  9  o 323.9360 3.373384  1047.060       21.79579  1005.393       29.54251  1096.832       32.28793  -14.07901      6.746769  
1 1 1 -1  2  10 o 154.2806 1.992049  237.7559       5.781812  237.0413       7.060051  239.2113       10.07516  -0.6811523     3.984097  
1 1 1 -1  2  11 o 165.5896 2.463446  271.1856       8.078743  296.4918       12.51580  253.1111       10.57740  13.08131       4.926893  
1 1 1 -1  2  12 o 358.8453 5.276222  1273.205       37.40653  1403.251       58.60129  1183.780       48.59449  30.39929       10.55244  
1 1 1 -1  2  13 o 298.8041 4.395521  880.6503       25.92004  975.5714       40.80874  816.4610       33.55859  26.53293       8.791041  
1 1 1 -1  2  14 f 371.9540 4.854128  1311.406       31.57678  1539.874       64.54875  1239.532       36.20461  40.06638       9.708257  
1 1 1 -1  2  15 o 586.0634 6.125415  3298.193       69.19791  2945.437       85.31224  3976.602       118.3096  -87.58923      12.25083  
1 1 1 -1  2  16 o 229.6710 2.399181  526.8757       11.00749  512.7311       15.13214  542.7714       16.04153  -6.535873      4.798363  
1 1 1 -1  2  17 o 398.1467 4.790213  1582.409       38.03890  1527.115       51.57000  1648.394       56.33559  -15.18686      9.580425  
1 1 1 -1  2  18 o 199.4428 2.088823  394.5786       8.273278  371.9904       10.95029  424.6224       12.62877  -13.18781      4.177647  
1 1 1 -1  2  19 o 334.8652 3.481375  1119.222       23.26593  1164.610       34.27507  1080.438       31.68350  12.54965       6.962749  
1 1 1 -1  2  20 o 35.89703 0.7028598 13.27785       0.4895178 10.29461       0.7256810 15.76880       0.6631082 -7.624943      1.405720  
1 1 1 -1  2  21 o 448.4110 4.652497  2012.495       41.70067  1975.453       57.81142  2052.674       60.20893  -8.581970      9.304995  
1 1 1 -1  2  22 o 540.3167 5.643583  2920.153       60.84769  3024.928       89.70022  2830.844       82.81487  17.84711       11.28717  
1 1 1 -1  2  23 o 218.5490 2.284861  477.6819       9.983625  484.8441       14.34654  470.9568       13.90191  3.173721       4.569722  
1 1 1 -1  2  24 o 319.6167 3.322956  1022.815       21.24118  1025.808       30.12935  1019.858       29.95058  0.9283752      6.645912  
1 1 1 -1  2  25 f 182.6342 1.919057  332.8409       6.994066  321.4176       9.518136  346.2482       10.31166  -6.790680      3.838113  
1 1 1 -1  2  26 o 179.6862 1.889601  323.0164       6.790123  320.6997       9.528436  325.4067       9.678697  -1.308243      3.779202  
1 1 1 -1  2  27 o 49.18592 0.6513535 24.04782       0.6385321 25.98433       0.9526854 22.46835       0.8603926 3.573799       1.302707  
1 1 1 -1  2  28 o 319.4825 3.326061  1023.070       21.25130  1017.731       29.87656  1028.537       30.23439  -1.682007      6.652122  
1 1 1 -1  2  29 o 95.80315 1.060184  91.32365       2.022969  96.90974       3.031679  86.84003       2.716086  5.252724       2.120368  
1 1 1 -1  2  30 o 226.7707 2.373445  514.8635       10.76401  512.0224       15.13145  517.7740       15.31542  -1.264694      4.746891  
1 1 1 -1  2  31 o 339.9820 3.540812  1158.687       24.06192  1181.426       34.75241  1137.749       33.34838  6.379730       7.081625  
1 1 1 -1  2  32 o 88.55037 0.9955350 77.75637       1.751642  72.87626       2.322636  84.19269       2.667383  -6.386597      1.991070  
1 1 1 -1  2  33 o 95.41821 1.059194  90.99563       2.019965  93.18464       2.922301  88.99280       2.795256  2.195152       2.118389  
1 1 1 -1  2  34 o 156.7414 1.667208  244.8455       5.207834  234.1928       7.019033  257.8919       7.767723  -7.545700      3.334415  
1 1 1 -1  2  35 o 170.9208 1.807613  292.4551       6.178459  290.0246       8.659126  294.9759       8.818372  -1.444611      3.615227  
1 1 1 -1  2  36 o 265.5410 2.778407  706.2714       14.73317  729.6059       21.55970  685.8270       20.18034  8.182953       5.556814  
1 1 1 -1  2  37 o 232.5388 2.438981  542.0132       11.33635  532.1141       15.70995  552.7676       16.37473  -4.411484      4.877962  
1 1 1 -1  2  38 o 28.15480 0.6506130 7.899872       0.3643354 9.142580       0.5319561 6.801892       0.5000215 4.156355       1.301226  
1 1 1 -1  2  39 o 77.66264 0.9079392 59.54319       1.397060  66.18233       2.163109  54.79187       1.829910  7.325165       1.815878  
1 1 1 -1  2  40 o 61.26047 0.9515229 37.64068       1.100170  37.31459       1.897631  37.80577       1.350253  -0.4176407     1.903046  
1 1 1 -1  2  41 f 56.33857 1.054697  31.05280       1.171015  36.04747       1.860329  27.77501       1.507045  7.328243       2.109394  
1 1 1 -1  2  42 o 47.32286 0.9948809 22.38623       0.9393405 22.91905       1.383927  21.93106       1.279112  1.039253       1.989762  
1 1 1 -1  2  43 f 62.75465 0.9804739 38.38787       1.132055  36.86863       1.344731  42.08406       2.097490  -4.120533      1.960948  
1 1 1 -1  2  44 o 25.52511 0.7617272 6.530037       0.3846208 6.583592       0.5089058 6.458697       0.5873635 0.2478218      1.523454  
1 1 1 -1  2  45 o 101.2567 1.612357  102.6272       3.256177  107.2740       4.824722  98.74026       4.412674  4.175720       3.224713  
1 1 1 -1  2  46 o 29.42111 0.7009883 8.663686       0.4104773 7.562857       0.5710537 9.840512       0.5904366 -3.869850      1.401977  
1 1 1 -1  2  47 o 68.05267 0.8478347 46.31097       1.152721  47.80830       1.677847  44.97244       1.586382  2.077980       1.695669  
1 1 1 -1  2  48 f 68.81981 0.8605241 47.34837       1.183029  45.50014       1.625519  49.42981       1.725021  -2.847878      1.721048  
1 1 1 -1  2  49 o 61.01743 0.8111591 37.29823       0.9898696 37.05014       1.401587  37.54510       1.398193  -0.4058533     1.622318  
1 1 1 -1  2  50 o 48.14270 0.9210590 21.73610       0.8053067 19.88785       0.9397061 26.84692       1.562627  -7.167400      1.842118  
1 1 1 -1  2  51 o 29.20488 1.005268  8.558111       0.5871180 8.653215       0.8279198 8.461900       0.8327212 0.3280945      2.010536  
1 1 1 -1  2  52 o 36.85756 0.8743272 13.64173       0.6145479 13.55731       1.037878  13.68730       0.7626083 -0.2066612     1.748654  
1 1 1 -1  2  53 o 57.31382 0.8040529 32.90856       0.9213509 32.04917       1.282982  33.82372       1.323957  -1.543617      1.608106  
1 1 1 -1  2  54 o 12.44462 1.336086  1.554179       0.3317757 1.646441       0.4899795 1.476061       0.4508610 0.6769371      2.672171  
1 1 1 -1  2  55 o 31.13821 0.8690819 9.680938       0.5368445 9.375175       0.7103343 10.08820       0.8198040 -1.130033      1.738164  
1 1 1 -1  2  56 o 22.51936 0.9767368 5.093009       0.4396613 4.857217       0.6152925 5.339007       0.6284667 -1.067463      1.953474  
1 1 1 -1  2  57 o 40.83474 0.8073181 16.65736       0.6578977 15.47971       0.8969012 18.02904       0.9679738 -3.111187      1.614636  
1 1 1 -1  2  58 o 22.78155 1.062582  5.268898       0.4797785 4.714824       0.7013097 5.756350       0.6577970 -2.294998      2.125164  
1 1 1 -1  2  59 o 37.85243 0.9697863 14.64310       0.7084580 13.47210       1.139106  15.38179       0.9047266 -2.571793      1.939573  
1 1 1 -1  2  60 o 12.72494 2.312616  1.572323       0.5784149 1.136444       0.7114493 2.422165       0.9934124 -4.572737      4.625232  
1 1 1 -1  2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  3  1  o 389.8916 4.056148  1507.587       31.35968  1636.291       48.26437  1413.553       41.25460  28.45459       8.112295  
1 1 1 -1  3  2  o 372.5471 4.231293  1371.999       30.67245  1314.185       38.73199  1469.238       50.23071  -20.62320      8.462585  
1 1 1 -1  3  3  o 245.6861 2.560016  603.9832       12.57817  599.4135       17.65220  608.6964       17.92743  -1.886490      5.120032  
1 1 1 -1  3  4  o 317.2467 3.307411  1003.774       20.90985  964.9252       28.18950  1051.296       31.17779  -13.57471      6.614821  
1 1 1 -1  3  5  o 402.1508 4.203069  1599.172       33.46257  1765.434       51.97610  1481.474       43.73116  35.17303       8.406137  
1 1 1 -1  3  6  f 278.8779 2.907964  768.5474       16.04487  715.5980       20.93532  843.9202       24.97796  -22.96225      5.815928  
1 1 1 -1  3  7  f 305.2578 3.458429  934.3472       21.00753  946.9482       28.42468  919.1800       31.18511  4.584290       6.916858  
1 1 1 -1  3  8  o 380.7191 3.962957  1446.776       30.07435  1511.561       44.75245  1393.425       40.61156  15.45309       7.925915  
1 1 1 -1  3  9  o 225.5539 2.354093  509.0295       10.61921  507.2293       14.95279  510.8615       15.08372  -0.8040161     4.708187  
1 1 1 -1  3  10 o 332.1022 3.462569  1103.817       22.98574  1090.511       31.89992  1118.186       33.14958  -4.150513      6.925139  
1 1 1 -1  3  11 o 274.0151 2.851520  751.4484       15.62702  752.6216       22.15923  750.2877       22.04113  0.4246826      5.703040  
1 1 1 -1  3  12 o 283.9763 2.955833  805.7385       16.76349  830.2299       24.50448  784.1942       22.98292  8.091522       5.911666  
1 1 1 -1  3  13 o 166.8528 2.173667  272.2545       6.613928  263.7652       7.818228  293.6205       12.40323  -8.921921      4.347334  
1 1 1 -1  3  14 o 510.1622 7.498351  2585.227       75.84864  2801.759       116.7666  2427.170       99.76175  36.45303       14.99670  
1 1 1 -1  3  15 o 274.3016 4.041152  752.9676       22.16734  758.2161       31.63185  747.9024       31.07430  1.875885       8.082305  
1 1 1 -1  3  16 o 498.5533 7.327551  2473.083       72.55142  2651.157       110.6739  2338.890       96.07446  31.11865       14.65510  
1 1 1 -1  3  17 o 182.3159 3.827662  0.000000       0.000000  ?              ?         332.5245       13.95687  ?              ?         
1 1 1 -1  3  18 o 401.9389 5.082749  1630.137       39.11344  1574.843       65.01262  1661.505       48.96671  -10.94031      10.16550  
1 1 1 -1  3  19 o 288.2221 3.000241  824.5146       17.17508  885.6552       26.19372  778.4032       22.74765  18.58408       6.000482  
1 1 1 -1  3  20 o 242.2964 2.526613  587.0259       12.23843  596.9283       17.62220  577.8002       17.00957  3.943619       5.053225  
1 1 1 -1  3  21 o 66.20784 0.7770222 42.26177       1.002926  37.28123       1.258677  50.92303       1.659841  -10.30143      1.554044  
1 1 1 -1  3  22 o 227.5241 2.376540  517.9241       10.81438  518.0797       15.31018  517.7691       15.27756  0.6802368E-01  4.753079  
1 1 1 -1  3  23 o 401.1904 4.168293  1611.508       33.43072  1585.424       46.45587  1639.525       48.14577  -6.717377      8.336585  
1 1 1 -1  3  24 o 85.68171 0.9616372 72.53474       1.632174  67.42664       2.137891  79.67207       2.527107  -7.144302      1.923274  
1 1 1 -1  3  25 o 151.4195 1.606897  229.1248       4.862414  223.7836       6.716212  235.0082       7.048822  -3.703842      3.213794  
1 1 1 -1  3  26 o 248.9269 2.599541  620.0779       12.93744  628.9766       18.58980  611.7198       18.01628  3.457779       5.199082  
1 1 1 -1  3  27 o 202.6429 2.125084  410.9686       8.612205  408.6461       12.10510  413.3491       12.25528  -1.158279      4.250168  
1 1 1 -1  3  28 o 285.2282 2.974025  812.8410       16.92341  784.3566       22.98710  846.5510       25.00691  -10.85516      5.948049  
1 1 1 -1  3  29 o 335.8029 3.496485  1129.895       23.46774  1109.000       32.50545  1152.644       33.91629  -6.459564      6.992970  
1 1 1 -1  3  30 o 344.4067 3.585388  1189.110       24.68720  1207.619       35.50391  1171.783       34.35060  5.169220       7.170777  
1 1 1 -1  3  31 o 186.1136 1.959484  346.6572       7.292676  343.2657       10.20949  350.1904       10.42055  -1.856628      3.918968  
1 1 1 -1  3  32 o 79.73154 0.9196281 63.47812       1.464726  65.71710       2.135698  61.48971       2.012644  2.649925       1.839256  
1 1 1 -1  3  33 o 264.5067 2.762394  701.2515       14.61339  700.3746       20.63731  702.1334       20.69573  -0.3307190     5.524788  
1 1 1 -1  3  34 o 118.8262 1.287508  141.2604       3.059584  140.1801       4.296409  142.3721       4.358061  -0.9214325     2.575017  
1 1 1 -1  3  35 o 58.67116 0.8068626 33.55802       0.9163880 37.82769       1.535435  31.19569       1.142101  5.647465       1.613725  
1 1 1 -1  3  36 o 129.2734 1.392426  167.2625       3.600066  166.9913       5.084973  167.5350       5.097575  -0.2099915     2.784853  
1 1 1 -1  3  37 o 76.81562 0.8993360 58.68369       1.375520  62.60666       2.066477  55.56273       1.843176  4.581131       1.798672  
1 1 1 -1  3  38 o 48.27162 0.9910657 23.32132       0.9565592 22.74894       1.354465  23.89087       1.351100  -1.182903      1.982131  
1 1 1 -1  3  39 o 57.97625 1.069502  33.63144       1.239461  33.98039       1.785915  33.30717       1.721580  0.5786705      2.139005  
1 1 1 -1  3  40 o 19.19372 1.019596  3.736861       0.3805450 3.919552       0.4912145 3.462638       0.6018178 1.193970       2.039192  
1 1 1 -1  3  41 o 97.26009 1.088829  94.61232       2.116293  92.29526       2.922826  97.16566       3.068247  -2.497833      2.177657  
1 1 1 -1  3  42 f 97.22864 1.090689  93.68362       2.103572  102.2272       3.233814  87.41669       2.769635  7.593613       2.181378  
1 1 1 -1  3  43 o 88.33641 1.010499  78.13353       1.785076  78.73819       2.547243  77.55000       2.502314  0.6703262      2.020997  
1 1 1 -1  3  44 o 96.79234 1.539332  93.99256       2.978936  92.82439       4.150453  95.23372       4.278154  -1.234016      3.078663  
1 1 1 -1  3  45 f 62.05452 1.140293  38.45405       1.410686  40.22951       2.097127  36.98671       1.906492  2.600071       2.280585  
1 1 1 -1  3  46 o 35.62070 0.6763500 12.48055       0.4776620 14.68932       0.7336180 10.85505       0.6293406 5.377144       1.352700  
1 1 1 -1  3  47 o 18.00424 0.8870096 3.226352       0.3177485 3.728373       0.4684611 2.798592       0.4324273 2.579762       1.774019  
1 1 1 -1  3  48 o 20.33649 0.8547401 4.106481       0.3413767 5.310046       0.5086834 3.120261       0.4604685 5.380438       1.709480  
1 1 1 -1  3  49 o 39.61710 0.7088597 15.53251       0.5581160 13.50214       0.7468948 18.09970       0.8398471 -5.796062      1.417719  
1 1 1 -1  3  50 o 38.46152 0.7109571 14.75371       0.5457020 15.80873       0.8043578 13.85401       0.7427920 2.536510       1.421914  
1 1 1 -1  3  51 o 43.61065 0.7275177 18.77389       0.6296848 21.48343       0.9652951 16.76687       0.8307838 5.396149       1.455035  
1 1 1 -1  3  52 o 64.41533 1.036257  41.36263       1.256493  40.79862       1.531485  42.52408       2.197696  -1.251129      2.072515  
1 1 1 -1  3  53 o 59.23851 1.133980  35.15265       1.341321  37.49686       1.964211  33.10428       1.836091  3.687695       2.267961  
1 1 1 -1  3  54 o 29.97693 0.9799948 8.949406       0.5775476 9.405977       0.9139996 8.645928       0.7451673 1.243586       1.959990  
1 1 1 -1  3  55 o 67.35201 0.8794455 45.36026       1.181269  47.57780       1.751971  43.51180       1.599548  2.996986       1.758891  
1 1 1 -1  3  56 f 32.72757 0.7939124 10.65683       0.5173706 11.72655       0.7772084 9.805603       0.6933043 2.923006       1.587825  
1 1 1 -1  3  57 o 21.23366 0.9805924 4.473013       0.4132251 5.327585       0.6222199 3.798703       0.5527126 3.587765       1.961185  
1 1 1 -1  3  58 o 56.96815 0.9120913 32.69637       1.031946  31.78563       1.541571  33.43586       1.389094  -1.475994      1.824183  
1 1 1 -1  3  59 o 28.78661 1.083464  8.319589       0.6208122 8.628367       0.9311343 8.072485       0.8329673 0.9418106      2.166928  
1 1 1 -1  3  60 o 26.03769 1.361409  6.502493       0.6901815 5.203238       0.8673431 8.745426       1.139599  -6.718260      2.722817  
1 1 1 -1  3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  4  1  f 325.9601 3.404690  1054.633       22.00440  998.4857       28.96601  1131.250       33.83641  -20.30182      6.809380  
1 1 1 -1  4  2  o 412.7410 4.321446  1706.724       35.66033  1716.291       51.17413  1697.692       49.71993  2.229248       8.642892  
1 1 1 -1  4  3  o 357.2074 3.735857  1248.045       26.18461  1135.024       33.36610  1429.243       42.24749  -41.05685      7.471714  
1 1 1 -1  4  4  o 249.0486 2.600920  617.4058       12.89582  588.4886       17.27796  653.7753       19.37686  -13.08649      5.201841  
1 1 1 -1  4  5  o 360.0497 3.761954  1296.553       27.05092  1267.388       37.10920  1329.624       39.51566  -8.608429      7.523907  
1 1 1 -1  4  6  f 157.8264 1.660375  249.1546       5.240849  247.9656       7.375826  250.3670       7.448061  -0.7603302     3.320750  
1 1 1 -1  4  7  o 403.8900 4.204684  1624.641       33.77339  1548.995       45.02446  1721.966       51.07038  -21.31787      8.409368  
1 1 1 -1  4  8  o 213.2314 2.228662  453.5589       9.480412  437.0293       12.87131  473.1604       14.01642  -8.462723      4.457324  
1 1 1 -1  4  9  o 58.10102 0.6941579 32.66634       0.7882954 28.96412       0.9946020 38.92097       1.292762  -8.567795      1.388316  
1 1 1 -1  4  10 o 206.1130 2.155455  423.6383       8.859783  407.9298       11.99919  442.4679       13.13726  -8.369751      4.310909  
1 1 1 -1  4  11 o 194.3431 2.039760  377.6253       7.923134  372.3942       10.97843  383.3117       11.44621  -2.805801      4.079520  
1 1 1 -1  4  12 o 363.5410 4.360447  1297.511       31.15507  1193.612       39.88791  1460.064       49.89207  -36.53281      8.720894  
1 1 1 -1  4  13 o 330.8187 3.446847  1087.932       22.67931  1161.608       34.30514  1030.730       30.22725  19.75107       6.893694  
1 1 1 -1  4  14 o 294.9620 3.066839  869.1440       18.06779  846.6608       24.79848  894.5826       26.37805  -8.114349      6.133679  
1 1 1 -1  4  15 o 45.49796 0.6015704 20.34315       0.5418602 18.27509       0.7074602 23.27811       0.8427951 -5.497925      1.203141  
1 1 1 -1  4  16 o 447.2198 4.652229  1983.643       41.24966  2139.669       63.49399  1869.700       54.25997  30.10059       9.304458  
1 1 1 -1  4  17 o 284.0766 5.910833  807.7806       33.58258  807.7806       33.58258  ?              ?         ?              ?         
1 1 1 -1  4  18 o 186.5705 2.776158  346.3978       10.31234  366.8744       15.48815  330.0911       13.82144  9.848358       5.552316  
1 1 1 -1  4  19 o 477.5292 7.022057  2275.644       66.77744  2409.515       100.1476  2168.475       89.60462  25.07394       14.04411  
1 1 1 -1  4  20 o 162.9868 2.430703  265.6687       7.920942  269.1454       11.37290  262.3935       11.03839  2.069244       4.861406  
1 1 1 -1  4  21 o 137.4046 1.786934  189.1696       4.645163  187.8569       7.977812  189.8429       5.713590  -0.7340088     3.573868  
1 1 1 -1  4  22 o 301.0527 3.130355  906.7537       18.84075  920.5990       27.09784  893.7968       26.21383  4.442383       6.260710  
1 1 1 -1  4  23 o 422.1581 4.383455  1785.441       37.00203  1806.763       53.00002  1765.166       51.68240  4.904480       8.766910  
1 1 1 -1  4  24 o 305.3250 3.177361  931.3793       19.36595  965.4988       28.45238  901.9286       26.43403  10.38113       6.354721  
1 1 1 -1  4  25 o 126.2206 1.355097  157.9445       3.395430  170.5827       5.194880  148.5186       4.486378  8.735275       2.710194  
1 1 1 -1  4  26 o 166.4400 1.756484  277.1393       5.846436  279.2182       8.336617  275.1272       8.201263  1.227539       3.512968  
1 1 1 -1  4  27 o 197.7856 2.077691  391.4495       8.217228  387.3290       11.48943  395.7641       11.75702  -2.128372      4.155381  
1 1 1 -1  4  28 o 199.5723 2.094488  398.6552       8.359406  401.3818       11.90982  396.0074       11.73607  1.343521       4.188976  
1 1 1 -1  4  29 o 235.3810 2.461001  554.7804       11.58545  554.4254       16.37593  555.1360       16.39270  -0.1506348     4.922002  
1 1 1 -1  4  30 o 124.3054 1.338257  154.5173       3.325864  152.2321       4.629907  156.9539       4.780680  -1.897568      2.676513  
1 1 1 -1  4  31 o 273.9328 2.861101  751.4302       15.66470  766.3196       22.64680  737.7715       21.69059  5.185822       5.722202  
1 1 1 -1  4  32 o 140.9223 1.504915  197.8560       4.226363  189.1696       5.695357  208.5015       6.304988  -6.849884      3.009830  
1 1 1 -1  4  33 o 104.4385 1.148849  109.1082       2.399507  109.9500       3.418343  108.2905       3.369026  0.7938843      2.297697  
1 1 1 -1  4  34 o 115.6977 1.258595  133.9246       2.912175  134.6275       4.143767  133.2386       4.093567  0.5994492      2.517189  
1 1 1 -1  4  35 o 69.51459 1.044783  46.02804       1.292973  53.44756       2.564234  43.49847       1.497246  7.139992       2.089567  
1 1 1 -1  4  36 o 197.5696 2.949744  391.0382       11.63297  405.4245       17.09984  378.6442       15.87174  6.717804       5.899487  
1 1 1 -1  4  37 o 79.92786 1.314197  63.87648       2.099378  62.06503       2.903846  65.86005       3.038679  -2.370407      2.628395  
1 1 1 -1  4  38 o 59.25078 0.9222730 35.66344       1.050843  37.22945       1.332268  33.08495       1.709528  3.505646       1.844546  
1 1 1 -1  4  39 o 141.2126 1.515037  199.2068       4.268490  191.8709       5.799425  207.8785       6.305377  -5.645172      3.030074  
1 1 1 -1  4  40 f 61.43723 0.7747431 37.76697       0.9519509 37.77065       1.349455  37.76332       1.343091  0.5805969E-02  1.549486  
1 1 1 -1  4  41 o 28.90959 0.6651924 8.363424       0.3840549 7.784720       0.5391446 8.959584       0.5472166 -2.031746      1.330385  
1 1 1 -1  4  42 f 34.68706 0.6493458 12.00214       0.4497678 12.72432       0.6587647 11.37157       0.6155658 1.948647       1.298692  
1 1 1 -1  4  43 o 66.32397 0.8209686 44.03098       1.088990  43.89203       1.541163  44.16954       1.538970  -0.2093048     1.641937  
1 1 1 -1  4  44 o 106.8073 1.186003  114.2641       2.532326  116.2462       3.647565  112.4198       3.518425  1.782928       2.372006  
1 1 1 -1  4  45 o 25.05765 1.063774  6.100208       0.5247961 7.521383       0.8345930 5.170797       0.6749241 4.679937       2.127548  
1 1 1 -1  4  46 o 49.11223 0.7181727 24.09915       0.7047519 22.91251       0.9728746 25.40942       1.022301  -2.539543      1.436345  
1 1 1 -1  4  47 o 27.89367 0.7079685 7.779854       0.3947004 8.163139       0.5687595 7.423793       0.5481900 1.324167       1.415937  
1 1 1 -1  4  48 o 23.36314 0.7793924 5.496728       0.3617960 4.825233       0.5156965 6.147585       0.5077106 -2.830534      1.558785  
1 1 1 -1  4  49 o 38.70393 0.7028763 15.00712       0.5438529 14.70095       0.7750278 15.30414       0.7633533 -0.7800713     1.405753  
1 1 1 -1  4  50 o 30.07397 0.7515004 9.020953       0.4488262 7.616302       0.6143810 10.62850       0.6572584 -5.004553      1.503001  
1 1 1 -1  4  51 o 25.17278 0.7964161 6.352107       0.4008075 6.266988       0.5723925 6.433995       0.5614216 -0.3327618     1.592832  
1 1 1 -1  4  52 o 41.27454 0.7324711 17.01302       0.6034551 15.64765       0.8287463 18.55398       0.8804252 -3.515751      1.464942  
1 1 1 -1  4  53 o 22.38348 0.9080767 5.035729       0.4055396 4.652465       0.5752100 5.414521       0.5718442 -1.702692      1.816153  
1 1 1 -1  4  54 o 17.59968 1.181727  3.227951       0.3960494 4.285610       0.5548831 2.129572       0.5654639 6.126965       2.363453  
1 1 1 -1  4  55 o 25.19236 1.120193  6.382904       0.5643510 6.327425       0.7914388 6.440295       0.8049585 -0.2215195     2.240386  
1 1 1 -1  4  56 o 15.62892 1.636728  2.527034       0.4798716 3.477107       0.7034692 1.700177       0.6562688 5.870386       3.273456  
1 1 1 -1  4  57 o 25.98722 0.9254311 6.845936       0.4732055 6.400007       0.7242441 7.178111       0.6250805 -1.513950      1.850862  
1 1 1 -1  4  58 o 37.63877 0.9859430 14.26784       0.7266449 14.12905       1.148264  14.36055       0.9384559 -0.3486328     1.971886  
1 1 1 -1  4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  4  60 o 18.82131 2.814286  3.633299       1.059371  3.633299       1.059371  ?              ?         ?              ?         
1 1 1 -1  4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  4  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  5  1  o 318.3232 3.324935  1012.783       21.13329  1042.835       30.95260  986.5392       28.92436  8.817169       6.649870  
1 1 1 -1  5  2  o 394.7804 4.118252  1516.771       31.73595  1372.032       39.99266  1762.914       52.15334  -49.31726      8.236505  
1 1 1 -1  5  3  o 112.6882 1.207228  126.0166       2.703627  118.7771       3.589352  135.5105       4.110410  -7.422295      2.414457  
1 1 1 -1  5  4  o 73.98386 0.8319404 54.73933       1.230983  54.87270       1.746684  54.60770       1.735120  0.1790543      1.663881  
1 1 1 -1  5  5  o 301.0505 3.134990  905.8516       18.84779  931.7918       27.55740  883.0521       25.83545  8.074677       6.269980  
1 1 1 -1  5  6  o 213.0642 2.230790  451.1527       9.452827  481.9695       14.30410  427.2600       12.59503  12.82448       4.461580  
1 1 1 -1  5  7  o 257.5505 2.681186  663.2578       13.80075  649.8881       19.08618  677.9073       19.97883  -5.430649      5.362373  
1 1 1 -1  5  8  o 407.2879 4.233949  1661.697       34.48370  1651.248       48.29482  1672.565       49.25395  -2.602112      8.467898  
1 1 1 -1  5  9  o 178.1864 1.868828  317.5038       6.658031  321.8008       9.555482  313.4491       9.282220  2.341782       3.737657  
1 1 1 -1  5  10 o 576.2920 6.015630  3302.599       68.78773  3117.275       90.76048  3552.735       105.4434  -37.51355      12.03126  
1 1 1 -1  5  11 o 189.7481 1.987364  359.2479       7.525797  347.3103       10.24968  373.2120       11.08556  -6.821136      3.974728  
1 1 1 -1  5  12 o 305.5117 3.175581  931.0438       19.35026  897.4468       26.23250  971.1436       28.65901  -12.04507      6.351161  
1 1 1 -1  5  13 o 467.9794 4.859961  2190.929       45.45569  2146.238       62.89410  2239.802       65.77043  -9.970520      9.719921  
1 1 1 -1  5  14 o 99.82600 1.090540  98.74619       2.160106  92.88437       2.849118  106.6710       3.312739  -6.904381      2.181080  
1 1 1 -1  5  15 o 198.9913 2.082314  394.8324       8.265375  380.1340       11.21192  412.3289       12.23269  -8.085480      4.164628  
1 1 1 -1  5  16 f 280.8300 2.925530  787.1677       16.39948  761.0521       22.36963  817.5129       24.11311  -10.04245      5.851060  
1 1 1 -1  5  17 o 199.5975 2.091474  398.3722       8.346915  403.4422       11.96749  393.5694       11.64765  2.471817       4.182947  
1 1 1 -1  5  18 o 601.9417 6.261974  3614.997       75.08208  3455.180       100.9078  3813.220       112.3805  -29.58588      12.52395  
1 1 1 -1  5  19 o 184.5412 1.938321  339.0935       7.125965  324.2820       9.583997  357.4052       10.65636  -8.969467      3.876643  
1 1 1 -1  5  20 o 299.6367 3.867562  879.5943       21.14140  853.2201       25.00548  945.7028       39.58904  -15.28104      7.735124  
1 1 1 -1  5  21 o 414.2559 6.130495  1721.738       50.79079  1717.142       72.00547  1726.290       71.65389  -1.110901      12.26099  
1 1 1 -1  5  22 o 333.3276 4.914417  1112.832       32.74147  1139.936       47.33650  1087.971       45.33519  7.759613       9.828834  
1 1 1 -1  5  23 o 228.5568 3.380639  523.0693       15.45242  525.4897       21.99440  520.7101       21.71434  1.041580       6.761277  
1 1 1 -1  5  24 o 280.0171 3.568762  787.6435       18.94526  778.6702       32.35564  792.3249       23.37047  -2.593658      7.137525  
1 1 1 -1  5  25 o 107.9592 1.180597  116.0548       2.540491  122.7041       3.785943  110.6082       3.426486  5.599731       2.361194  
1 1 1 -1  5  26 o 84.49599 0.9532204 71.26455       1.608591  68.85382       2.204784  74.00830       2.352143  -3.049202      1.906441  
1 1 1 -1  5  27 o 273.8738 2.856764  751.4056       15.64775  752.5699       22.17642  750.2512       22.08240  0.4212341      5.713528  
1 1 1 -1  5  28 o 159.1796 1.687759  252.3208       5.350585  241.0557       7.184636  266.3488       8.017412  -7.933624      3.375517  
1 1 1 -1  5  29 o 210.6992 2.208503  444.4036       9.306198  442.2451       13.08882  446.6104       13.23429  -1.033356      4.417007  
1 1 1 -1  5  30 o 53.52584 0.7112103 27.60969       0.7446581 23.89926       0.9406321 33.83934       1.218821  -9.283569      1.422421  
1 1 1 -1  5  31 o 293.3573 3.059975  861.8430       17.93763  842.8590       24.75616  882.8258       26.02678  -6.775452      6.119951  
1 1 1 -1  5  32 o 197.1604 2.533840  391.1699       9.489258  383.9462       16.11135  395.0067       11.74198  -2.918793      5.067680  
1 1 1 -1  5  33 o 73.20216 1.226117  53.61089       1.795073  53.30605       2.534756  53.91759       2.542495  -0.4176025     2.452233  
1 1 1 -1  5  34 o 178.1407 2.666153  317.8504       9.491254  310.8723       13.10879  325.5393       13.76021  -4.094315      5.332307  
1 1 1 -1  5  35 o 122.0591 1.612954  150.1984       3.755522  152.7154       4.677832  145.6343       6.299069  2.940712       3.225907  
1 1 1 -1  5  36 o 80.69880 0.9330207 65.14841       1.505839  64.77940       2.120819  65.52355       2.138444  -0.4607697     1.866041  
1 1 1 -1  5  37 o 104.6074 1.155960  108.0915       2.393565  119.2115       3.719995  100.2353       3.126787  9.055199       2.311920  
1 1 1 -1  5  38 o 106.4308 1.172726  113.3865       2.496241  113.6699       3.542279  113.1071       3.518280  0.2636795      2.345451  
1 1 1 -1  5  39 o 43.12302 0.6616544 18.41833       0.5675732 20.46862       0.8585909 16.82697       0.7564214 4.220257       1.323309  
1 1 1 -1  5  40 o 112.6897 1.236211  126.9149       2.781428  131.5296       4.078970  122.9042       3.802620  3.815193       2.472423  
1 1 1 -1  5  41 o 93.56148 1.055550  87.64456       1.974967  88.40602       2.817821  86.90932       2.768873  0.7976303      2.111100  
1 1 1 -1  5  42 o 114.6875 1.257729  131.7908       2.884681  130.6982       4.048315  132.9179       4.111528  -0.9640274     2.515459  
1 1 1 -1  5  43 o 32.92538 0.8891375 10.81545       0.5843766 10.24435       0.7968582 11.47997       0.8595666 -1.873493      1.778275  
1 1 1 -1  5  44 o 148.7485 1.598624  221.7938       4.749466  228.6976       6.935550  215.6972       6.517450  4.332809       3.197248  
1 1 1 -1  5  45 o 82.11953 1.374544  67.51814       2.252961  69.95521       3.314148  65.42427       3.071953  2.737091       2.749088  
1 1 1 -1  5  46 o 69.54199 0.8585983 48.38638       1.193319  49.57227       1.727515  47.30408       1.650346  1.626160       1.717197  
1 1 1 -1  5  47 o 66.29001 0.8353364 44.01160       1.107463  43.70148       1.559762  44.32690       1.572696  -0.4708557     1.670673  
1 1 1 -1  5  48 o 35.04697 0.6968411 12.28310       0.4878610 11.46387       0.6782305 13.16145       0.7022769 -2.420357      1.393682  
1 1 1 -1  5  49 o 33.33630 0.7056851 11.02590       0.4682995 12.45335       0.7017115 9.879615       0.6288192 3.854940       1.411370  
1 1 1 -1  5  50 o 68.78038 0.8653342 47.40691       1.190048  47.86659       1.705841  46.97110       1.661017  0.6467056      1.730668  
1 1 1 -1  5  51 o 18.85063 0.9233612 3.539915       0.3469388 3.923846       0.5151886 3.221324       0.4693059 1.858215       1.846722  
1 1 1 -1  5  52 o 27.14674 0.7951490 7.390879       0.4289552 6.328367       0.5966731 8.527428       0.6171114 -4.048155      1.590298  
1 1 1 -1  5  53 o 41.82947 0.7395233 17.35520       0.6152199 19.31729       0.9319050 15.83945       0.8190784 4.145397       1.479047  
1 1 1 -1  5  54 o 39.98540 0.7581350 16.02733       0.6060365 16.00889       0.8693727 16.04476       0.8452656 -0.4756927E-01 1.516270  
1 1 1 -1  5  55 o 60.10138 0.8330426 36.23018       1.001021  36.71432       1.437364  35.77422       1.394906  0.7760582      1.666085  
1 1 1 -1  5  56 o 56.09066 0.8316711 31.49039       0.9317947 29.70733       1.281595  33.48993       1.357163  -3.360760      1.663342  
1 1 1 -1  5  57 o 15.21431 2.442370  0.000000       0.000000  ?              ?         2.351882       0.7431795 ?              ?         
1 1 1 -1  5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  5  59 o 47.76666 1.118390  22.99503       1.068103  22.99055       1.492029  22.99973       1.529727  -0.2822876E-03 2.236780  
1 1 1 -1  5  60 o 41.13079 1.113997  17.02905       0.9150460 18.38235       1.320511  15.77896       1.269157  3.151421       2.227994  
1 1 1 -1  5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  5  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  6  1  o 95.78865 1.041746  91.75516       1.995579  91.04099       2.800140  92.49226       2.844738  -0.7573624     2.083493  
1 1 1 -1  6  2  o 337.6855 3.514269  1123.235       23.40779  1037.536       30.25272  1251.077       36.94987  -31.53040      7.028538  
1 1 1 -1  6  3  o 235.2893 2.454258  553.5640       11.54153  564.3081       16.68751  543.7118       15.97985  4.370316       4.908517  
1 1 1 -1  6  4  o 243.0264 2.532856  588.6208       12.26795  564.2159       16.54338  618.4388       18.28626  -11.13937      5.065712  
1 1 1 -1  6  5  o 332.5798 3.467070  1107.080       23.05313  1093.799       32.09678  1121.232       33.13197  -4.111145      6.934140  
1 1 1 -1  6  6  f 191.8260 2.008211  367.2300       7.688839  355.0153       10.48045  381.4669       11.31474  -6.888702      4.016422  
1 1 1 -1  6  7  o 149.2018 1.574997  222.6312       4.699255  220.6656       6.583423  224.6731       6.709884  -1.342300      3.149994  
1 1 1 -1  6  8  o 381.1940 3.968199  1441.232       30.01518  1351.885       39.58336  1562.106       46.04039  -27.49457      7.936399  
1 1 1 -1  6  9  o 159.3546 1.678706  252.5024       5.323687  239.9912       7.117340  268.3925       8.021082  -8.907272      3.357411  
1 1 1 -1  6  10 o 414.3305 4.599742  1723.654       38.00017  1642.931       55.10520  1796.848       52.47215  -18.60159      9.199484  
1 1 1 -1  6  11 o 369.2397 3.830825  1359.307       28.19545  1425.276       41.96987  1305.045       38.06438  16.25143       7.661650  
1 1 1 -1  6  12 o 289.0603 3.004698  834.8137       17.35053  813.8513       23.85835  858.3449       25.27785  -7.688416      6.009397  
1 1 1 -1  6  13 o 366.1948 3.803265  1340.237       27.82204  1376.507       40.53257  1307.923       38.25845  9.348511       7.606530  
1 1 1 -1  6  14 o 220.5530 2.481392  487.3657       10.92765  460.7746       15.57813  513.1259       15.33285  -11.86935      4.962785  
1 1 1 -1  6  15 o 394.8850 4.097717  1559.479       32.33761  1529.246       44.70135  1592.671       46.83802  -8.013580      8.195434  
1 1 1 -1  6  16 o 519.7104 7.635851  2693.030       78.94454  2557.034       105.3374  2867.291       119.2394  -29.63602      15.27170  
1 1 1 -1  6  17 o 256.4597 2.671892  657.9857       13.70438  655.9182       19.30870  660.0845       19.45397  -0.8114624     5.343785  
1 1 1 -1  6  18 o 519.8972 5.397098  2706.953       56.09731  2752.392       80.68533  2664.436       78.04758  8.425110       10.79420  
1 1 1 -1  6  19 o 142.2104 1.509832  201.9307       4.288292  196.1822       5.881115  208.4569       6.266320  -4.314148      3.019664  
1 1 1 -1  6  20 o 401.7778 4.170453  1611.153       33.41214  1550.062       45.21819  1684.619       49.58726  -16.69049      8.340906  
1 1 1 -1  6  21 o 461.1352 4.789320  2126.864       44.09432  2061.479       60.27602  2202.138       64.67354  -15.17853      9.578639  
1 1 1 -1  6  22 o 514.7980 5.345128  2658.677       55.03042  2643.986       77.35903  2673.727       78.29901  -2.868286      10.69026  
1 1 1 -1  6  23 o 119.8276 1.294655  143.4561       3.099704  147.1290       4.503778  140.1505       4.272635  2.910469       2.589311  
1 1 1 -1  6  24 o 140.2265 1.834971  195.3962       4.805187  193.0453       5.814564  200.4602       8.533825  -2.617523      3.669943  
1 1 1 -1  6  25 f 288.8463 4.261114  833.4291       24.52502  798.3898       33.03136  876.4756       36.61151  -13.42239      8.522227  
1 1 1 -1  6  26 o 236.0809 3.493407  558.7479       16.49446  559.5690       23.36871  557.9327       23.28489  0.3443909      6.986815  
1 1 1 -1  6  27 o 72.33830 1.187042  52.17949       1.713584  49.98373       2.331064  54.76110       2.527597  -3.300217      2.374084  
1 1 1 -1  6  28 o 144.4339 1.883612  208.2494       5.111980  210.3050       8.936930  207.2497       6.232227  1.018616       3.767225  
1 1 1 -1  6  29 o 244.7639 2.753330  601.7491       13.43900  573.1407       19.46265  627.8196       18.57934  -11.19009      5.506661  
1 1 1 -1  6  30 o 88.15863 1.408000  77.75547       2.482472  77.30397       3.494227  78.21561       3.527502  -0.5166168     2.816000  
1 1 1 -1  6  31 o 180.4016 2.695000  326.0384       9.721920  322.5596       13.59577  329.6784       13.90726  -1.964752      5.390000  
1 1 1 -1  6  32 o 78.23431 1.289043  61.20646       2.016079  62.23714       2.902602  60.24573       2.802371  1.271317       2.578086  
1 1 1 -1  6  33 o 110.7635 1.215579  122.1256       2.682227  116.1856       3.605399  129.4879       4.013877  -5.998886      2.431157  
1 1 1 -1  6  34 o 200.1939 2.106513  401.2527       8.429899  408.4923       12.15625  394.5460       11.70019  3.469604       4.213026  
1 1 1 -1  6  35 o 54.82213 0.7253596 29.98824       0.7942368 28.65240       1.089169  31.50524       1.160680  -2.601059      1.450719  
1 1 1 -1  6  36 o 154.9458 1.649993  239.7312       5.100462  250.0699       7.538425  231.0026       6.926633  6.133270       3.299986  
1 1 1 -1  6  37 o 126.5150 1.367980  160.2526       3.461299  160.8174       4.917097  159.6979       4.873231  0.4410400      2.735960  
1 1 1 -1  6  38 o 119.0156 1.296317  141.8153       3.085237  143.0990       4.405982  140.5802       4.321609  1.055107       2.592634  
1 1 1 -1  6  39 o 99.89420 1.113407  99.84125       2.223225  101.7134       3.208523  98.11216       3.083435  1.797935       2.226813  
1 1 1 -1  6  40 o 124.2335 1.348451  154.6322       3.350372  155.2021       4.758207  154.0718       4.718328  0.4528656      2.696903  
1 1 1 -1  6  41 o 104.2046 1.157352  108.7381       2.411422  110.1150       3.456914  107.4330       3.365455  1.282166       2.314704  
1 1 1 -1  6  42 f 92.57217 1.049004  85.80727       1.941927  84.75296       2.719954  86.90344       2.773425  -1.158806      2.098009  
1 1 1 -1  6  43 o 51.44675 0.7201452 26.04124       0.7336788 29.75510       1.139544  23.41179       0.9588521 6.157970       1.440290  
1 1 1 -1  6  44 o 130.3737 1.415941  170.4324       3.690355  167.4566       5.126738  173.6324       5.316325  -2.352966      2.831882  
1 1 1 -1  6  45 o 64.79919 1.172607  41.36824       1.501106  46.75529       2.357368  37.69415       1.946828  6.958359       2.345214  
1 1 1 -1  6  46 o 95.58925 1.085255  91.39354       2.071541  88.22166       2.835135  95.02644       3.034189  -3.543816      2.170509  
1 1 1 -1  6  47 f 13.78343 1.057776  1.917418       0.2895350 1.762714       0.4241290 2.052433       0.3962227 -1.053416      2.115552  
1 1 1 -1  6  48 o 37.07245 0.6944243 13.74380       0.5142179 14.09055       0.7499392 13.43611       0.7064369 0.8797989      1.388849  
1 1 1 -1  6  49 o 43.30266 0.7178540 18.78135       0.6215822 18.32984       0.8778440 19.23533       0.8802608 -1.045349      1.435708  
1 1 1 -1  6  50 f 40.91829 0.7121500 16.56580       0.5789409 18.64194       0.8826286 14.99804       0.7669886 4.443260       1.424300  
1 1 1 -1  6  51 o 7.803541 1.694293  0.6160445      0.2981943 0.4078636      0.4464425 0.7837338      0.4006803 -1.706291      3.388587  
1 1 1 -1  6  52 o 88.58041 1.043049  78.71987       1.846507  80.59542       2.673944  77.01019       2.552967  2.006592       2.086097  
1 1 1 -1  6  53 f 40.83389 0.7445636 16.71623       0.6078618 16.51310       0.8677793 16.91192       0.8517381 -0.4900742     1.489127  
1 1 1 -1  6  54 o 23.96609 0.8645718 5.725536       0.4130590 6.266331       0.6143945 5.279497       0.5579793 2.051336       1.729144  
1 1 1 -1  6  55 o 24.28380 1.044369  6.263674       0.4741942 4.819205       0.7688568 7.150435       0.6024135 -4.829023      2.088738  
1 1 1 -1  6  56 o 19.93760 2.028384  3.873944       0.7149270 4.458211       1.427513  3.678334       0.8259787 1.741810       4.056769  
1 1 1 -1  6  57 o 86.72102 1.348268  75.62451       2.286039  77.55942       3.658642  74.38528       2.927972  1.637939       2.696536  
1 1 1 -1  6  58 o 43.99092 1.105687  19.48910       0.9725104 19.30466       1.356220  19.68432       1.395286  -0.4223633     2.211374  
1 1 1 -1  6  59 f 25.17305 1.193707  6.350572       0.5986695 7.169210       0.8855263 5.661428       0.8124759 2.975605       2.387415  
1 1 1 -1  6  60 o 36.91624 1.099187  13.73588       0.8114308 13.44144       1.136567  14.04197       1.158830  -0.8074875     2.198374  
1 1 1 -1  6  61 o 11.45502 2.648833  1.366769       0.6606271 1.506719       0.7604728 0.9363088      1.333715  0.8124809      5.297666  
1 1 1 -1  7  1  o 211.6257 2.214321  446.4803       9.342433  467.1628       13.88638  429.3778       12.62755  8.917572       4.428642  
1 1 1 -1  7  2  o 442.9229 4.620079  1959.506       40.81145  1886.070       55.29231  2047.394       60.48941  -18.12820      9.240158  
1 1 1 -1  7  3  o 379.6107 4.348574  1383.263       31.04901  1277.636       37.34121  1619.894       55.89048  -44.80768      8.697148  
1 1 1 -1  7  4  o 257.5119 2.683158  663.3591       13.81496  671.6945       19.82052  655.4836       19.26588  3.142761       5.366315  
1 1 1 -1  7  5  o 372.5615 3.886022  1369.977       28.61678  1268.767       37.21268  1516.448       44.76679  -33.15012      7.772044  
1 1 1 -1  7  6  o 477.6927 4.994651  2282.429       47.64669  2217.840       65.28060  2356.063       69.70168  -14.40573      9.989303  
1 1 1 -1  7  7  o 305.4846 3.185651  932.9476       19.44143  952.5311       28.28656  915.4142       26.76514  6.062958       6.371303  
1 1 1 -1  7  8  o 170.4502 1.798102  288.4298       6.092343  309.4767       9.249426  272.3013       8.096893  10.90047       3.596204  
1 1 1 -1  7  9  f 475.0922 5.230541  2218.862       49.21116  1961.667       64.36623  2580.720       76.34783  -65.02646      10.46108  
1 1 1 -1  7  10 o 295.6739 3.074387  873.6255       18.16225  852.7889       25.02551  896.8138       26.40020  -7.437042      6.148774  
1 1 1 -1  7  11 o 440.2352 4.569263  1940.117       40.23055  1930.994       56.73280  1949.345       57.05778  -2.081573      9.138526  
1 1 1 -1  7  12 o 232.8267 2.428992  542.1024       11.30786  535.9342       15.78321  548.6075       16.20873  -2.719666      4.857984  
1 1 1 -1  7  13 o 185.5027 1.946666  342.5850       7.193831  361.4759       10.76003  327.3160       9.673689  9.203278       3.893332  
1 1 1 -1  7  14 o 448.2214 4.653200  1997.488       41.46304  2134.208       62.88635  1892.346       55.14793  26.90900       9.306400  
1 1 1 -1  7  15 f 653.6956 9.646867  4284.886       125.8561  4135.773       171.4306  4459.214       185.3591  -24.46729      19.29373  
1 1 1 -1  7  16 o 298.9428 3.116190  892.8864       18.60500  870.9883       25.52250  917.7181       27.17837  -7.804657      6.232379  
1 1 1 -1  7  17 o 363.0459 3.773804  1314.995       27.32469  1265.344       37.02453  1374.388       40.49403  -14.98639      7.547608  
1 1 1 -1  7  18 o 146.9251 1.558134  215.8756       4.577960  217.8714       6.538980  213.9569       6.411331  1.331619       3.116268  
1 1 1 -1  7  19 o 351.0348 3.646691  1230.519       25.54577  1189.581       34.77478  1278.507       37.65071  -12.63483      7.293382  
1 1 1 -1  7  20 o 257.7136 2.686090  664.1561       13.83613  677.2175       19.99449  652.1546       19.16626  4.854935       5.372181  
1 1 1 -1  7  21 o 467.6905 4.861075  2190.197       45.41757  2252.152       66.15148  2134.950       62.46705  12.45862       9.722151  
1 1 1 -1  7  22 f 271.5871 2.830951  734.4952       15.30749  777.4554       22.99130  700.2884       20.51572  14.17435       5.661902  
1 1 1 -1  7  23 o 178.7699 1.881382  319.5609       6.723241  325.4925       9.695780  314.0673       9.330911  3.191895       3.762764  
1 1 1 -1  7  24 o 237.1233 2.477787  562.5174       11.74462  552.9870       16.29638  572.8170       16.94120  -4.171829      4.955574  
1 1 1 -1  7  25 o 196.6208 2.063546  386.9095       8.114449  388.6574       11.53200  385.1953       11.41995  0.8787689      4.127092  
1 1 1 -1  7  26 o 156.6385 1.660099  245.4257       5.199320  242.0960       7.252573  248.9463       7.457612  -2.183929      3.320198  
1 1 1 -1  7  27 o 313.4731 4.629426  987.1014       29.01809  998.4276       41.54311  976.3101       40.55044  3.491669       9.258853  
1 1 1 -1  7  28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  7  29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  7  30 o 175.6518 3.708322  309.1068       13.02747  309.1068       13.02747  ?              ?         ?              ?         
1 1 1 -1  7  31 o 47.75617 0.8603186 22.17121       0.7900440 25.09429       1.346837  20.63776       0.9755045 4.662560       1.720637  
1 1 1 -1  7  32 o 60.45137 0.7588823 36.53460       0.9172905 35.82002       1.280297  37.28830       1.314884  -1.214127      1.517765  
1 1 1 -1  7  33 o 245.5992 2.569957  604.4218       12.61955  595.9891       17.58210  613.3820       18.12370  -3.522827      5.139914  
1 1 1 -1  7  34 o 60.22467 0.7626737 36.07060       0.9150525 38.58882       1.369794  34.04123       1.229675  3.773857       1.525347  
1 1 1 -1  7  35 o 33.74303 0.6365503 11.39066       0.4292987 10.86998       0.6050657 11.91847       0.6091954 -1.553585      1.273101  
1 1 1 -1  7  36 o 91.18476 1.029021  83.18745       1.876419  82.33138       2.630288  84.07465       2.677662  -0.9548340     2.058041  
1 1 1 -1  7  37 o 176.4070 1.869081  311.6699       6.589035  304.9078       9.101255  319.1179       9.551658  -4.006363      3.738163  
1 1 1 -1  7  38 o 58.87867 0.7573142 34.67560       0.8916752 34.10886       1.248882  35.26492       1.273517  -0.9811516     1.514628  
1 1 1 -1  7  39 o 54.52751 0.7328415 29.40508       0.7936489 32.68136       1.212986  26.95259       1.049466  5.248981       1.465683  
1 1 1 -1  7  40 o 105.4515 1.167570  110.9126       2.454482  105.9180       3.314186  116.9798       3.652787  -5.228378      2.335140  
1 1 1 -1  7  41 o 85.20387 0.9807656 72.60367       1.669801  74.58159       2.424220  70.81810       2.303326  2.203079       1.961531  
1 1 1 -1  7  42 o 77.36540 1.278904  59.74390       1.973011  63.16046       2.930387  56.91075       2.668485  4.022057       2.557808  
1 1 1 -1  7  43 o 74.70496 0.8958423 55.69439       1.335625  53.19675       1.817807  58.62462       1.968952  -3.625465      1.791685  
1 1 1 -1  7  44 o 25.35826 0.7119475 6.449909       0.3600664 5.915110       0.5105482 6.979138       0.5078835 -2.098108      1.423895  
1 1 1 -1  7  45 o 31.11496 1.015040  9.735232       0.6294338 9.059417       0.9063452 10.36482       0.8748004 -2.099958      2.030079  
1 1 1 -1  7  46 o 40.54118 0.6899435 16.40324       0.5584853 17.33282       0.8192542 15.59620       0.7633418 2.138805       1.379887  
1 1 1 -1  7  47 o 37.04203 0.6904403 13.72680       0.5110118 12.89917       0.7128952 14.60148       0.7328786 -2.296604      1.380881  
1 1 1 -1  7  48 o 14.23920 1.063570  2.005186       0.2978939 2.588117       0.4489037 1.546482       0.3982088 3.652269       2.127140  
1 1 1 -1  7  49 o 69.04037 0.8666574 47.77080       1.196494  47.94896       1.708934  47.59948       1.675749  0.2500153      1.733315  
1 1 1 -1  7  50 o 31.04319 0.7305185 9.656956       0.4532028 9.574312       0.6523272 9.734063       0.6301014 -0.2592258     1.461037  
1 1 1 -1  7  51 f 65.96011 0.8537602 43.58541       1.125384  44.56204       1.630838  42.69757       1.554940  1.404846       1.707520  
1 1 1 -1  7  52 o 8.417031 1.726917  0.7332616      0.3102692 0.6056283      0.4514916 0.8474755      0.4270976 -1.150617      3.453833  
1 1 1 -1  7  53 o 45.76089 0.7565472 20.99554       0.6918816 20.84469       0.9960843 21.13616       0.9617550 -0.3222694     1.513094  
1 1 1 -1  7  54 o 45.04877 1.145215  20.46075       1.027918  19.83315       1.507180  21.00655       1.405529  -1.321175      2.290429  
1 1 1 -1  7  55 o 34.93558 0.9725646 12.66070       0.6490365 13.87885       0.8300225 10.74375       1.041223  4.522213       1.945129  
1 1 1 -1  7  56 o 29.69930 0.8389539 8.669395       0.4904303 9.868456       0.7820179 7.892101       0.6296358 3.303921       1.677908  
1 1 1 -1  7  57 o 13.99745 1.722274  2.011782       0.4714455 2.210649       0.6933334 1.840761       0.6429617 1.513046       3.444549  
1 1 1 -1  7  58 o 34.50807 1.053225  11.98967       0.7268418 12.13375       1.035523  11.84974       1.020462  0.4079742      2.106450  
1 1 1 -1  7  59 o 35.42432 1.082993  12.64279       0.7671437 12.63434       1.095266  12.65094       1.074833  -0.2840805E-01 2.165986  
1 1 1 -1  7  60 o 11.26365 1.893167  1.228344       0.4818669 2.321888       0.7171839 0.3284331      0.6505972 7.648115       3.786334  
1 1 1 -1  7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  8  1  o 511.0989 5.313370  2593.146       53.89477  2806.904       82.59162  2434.624       71.12476  36.26709       10.62674  
1 1 1 -1  8  2  f 77.12378 0.8706078 58.92326       1.333363  64.06178       2.037708  55.07574       1.763250  5.825142       1.741216  
1 1 1 -1  8  3  o 330.8053 3.440902  1094.718       22.75551  1110.298       32.75349  1080.182       31.63781  4.542847       6.881803  
1 1 1 -1  8  4  o 329.3130 3.423279  1085.168       22.54486  1093.549       32.12557  1077.035       31.64631  2.503632       6.846558  
1 1 1 -1  8  5  o 158.4077 1.670837  250.9716       5.293465  251.0222       7.483585  250.9209       7.488595  0.3198242E-01  3.341674  
1 1 1 -1  8  6  o 405.4642 4.220510  1608.246       33.57625  1466.906       42.79066  1834.689       54.16203  -45.25827      8.441020  
1 1 1 -1  8  7  o 135.9339 1.445950  184.2438       3.921208  177.4310       5.324047  192.3205       5.796934  -5.475464      2.891900  
1 1 1 -1  8  8  o 303.9941 3.159286  924.4363       19.20516  933.5306       27.44857  915.7145       26.88072  2.927063       6.318573  
1 1 1 -1  8  9  o 222.8770 2.327188  496.8455       10.37290  493.8457       14.57337  499.9258       14.76756  -1.363190      4.654377  
1 1 1 -1  8  10 o 636.8450 6.641900  4046.700       84.23663  3877.566       113.1082  4257.337       126.2255  -29.65295      13.28380  
1 1 1 -1  8  11 o 277.7097 3.338097  771.4811       18.53580  780.8351       26.57006  762.6129       25.87107  3.276276       6.676194  
1 1 1 -1  8  12 f 214.7450 2.244298  461.0185       9.634303  453.3301       13.37652  469.3058       13.88778  -3.717422      4.488596  
1 1 1 -1  8  13 o 112.3665 1.214389  125.9658       2.723867  121.6285       3.715697  131.0042       4.004786  -4.171196      2.428778  
1 1 1 -1  8  14 o 263.0989 3.883246  690.3967       20.37461  723.4656       30.22346  662.8494       27.58504  11.49832       7.766492  
1 1 1 -1  8  15 f 289.1167 3.007566  835.8895       17.38195  822.2393       24.12851  850.6160       25.06162  -4.901154      6.015131  
1 1 1 -1  8  16 f 495.3143 5.154022  2457.865       51.05577  2445.111       71.87585  2470.853       72.53620  -2.590057      10.30804  
1 1 1 -1  8  17 o 104.5634 1.139029  109.3460       2.382012  109.4164       3.372406  109.2760       3.364953  0.6712341E-01  2.278059  
1 1 1 -1  8  18 o 134.3003 1.433762  178.3060       3.813739  194.9686       5.906657  166.3933       4.994300  10.63457       2.867525  
1 1 1 -1  8  19 o 230.5319 2.409902  530.0557       11.08087  553.7348       16.41191  510.2184       15.02165  9.426590       4.819803  
1 1 1 -1  8  20 o 183.3827 1.929585  336.1087       7.071609  344.3539       10.24556  328.6070       9.772717  4.289780       3.859169  
1 1 1 -1  8  21 o 198.1473 2.077814  392.1971       8.222699  404.4999       12.01590  381.3617       11.27658  5.831528       4.155629  
1 1 1 -1  8  22 o 145.0981 1.541601  210.5823       4.473211  208.8786       6.272589  212.3453       6.380953  -1.193726      3.083201  
1 1 1 -1  8  23 o 155.6487 1.650613  242.3747       5.138299  242.0482       7.256118  242.7031       7.277231  -0.2101746     3.301226  
1 1 1 -1  8  24 o 68.42917 1.007969  44.45234       1.225176  52.04364       2.442796  41.90096       1.416174  7.403999       2.015939  
1 1 1 -1  8  25 o 134.4336 2.034967  180.8802       5.471076  179.8491       7.690381  181.9368       7.785028  -0.7749786     4.069935  
1 1 1 -1  8  26 o 364.9142 5.388050  1339.487       39.30294  1316.646       54.53871  1364.166       56.68913  -6.419189      10.77610  
1 1 1 -1  8  27 o 236.6533 3.063519  551.3740       13.30563  537.0630       15.82220  585.9378       24.58914  -10.11670      6.127039  
1 1 1 -1  8  28 o 387.6625 4.330334  1504.782       33.05619  1481.700       42.97681  1538.219       51.72691  -6.958008      8.660667  
1 1 1 -1  8  29 o 96.94421 1.075746  92.48804       2.059171  103.3476       3.238199  85.11559       2.668111  9.397614       2.151493  
1 1 1 -1  8  30 o 117.4109 1.274896  137.3788       2.984447  144.4980       4.436074  131.4921       4.033833  5.533348       2.549791  
1 1 1 -1  8  31 f 127.8461 1.674656  164.8893       4.096556  168.1893       5.125667  159.0540       6.815852  3.603821       3.349312  
1 1 1 -1  8  32 o 201.4313 2.998119  406.6995       12.07021  398.8678       16.70829  415.2478       17.45596  -4.038269      5.996238  
1 1 1 -1  8  33 o 80.63938 1.315655  64.93098       2.118771  62.54967       2.902208  67.64863       3.100390  -3.157730      2.631310  
1 1 1 -1  8  34 o 235.1212 3.494290  555.1768       16.41175  540.9406       22.55597  571.1920       23.92381  -6.354462      6.988581  
1 1 1 -1  8  35 o 129.8903 1.707092  169.8818       4.218740  166.0915       7.130805  171.9229       5.232768  -2.309143      3.414183  
1 1 1 -1  8  36 o 101.0025 1.121599  101.8057       2.260844  97.84659       3.077800  106.4455       3.331931  -4.250069      2.243199  
1 1 1 -1  8  37 o 46.46161 0.6777003 21.49686       0.6279070 22.85673       0.9325058 20.36884       0.8493037 2.675743       1.355401  
1 1 1 -1  8  38 o 82.08841 0.9485326 67.41057       1.556843  66.11411       2.170793  68.78362       2.233984  -1.624001      1.897065  
1 1 1 -1  8  39 o 173.0785 1.839017  300.6397       6.365860  301.1293       9.017529  300.1533       8.987916  0.2799377      3.678033  
1 1 1 -1  8  40 o 73.51868 0.8778080 53.99663       1.288728  55.93596       1.886568  52.29992       1.764613  2.468079       1.755616  
1 1 1 -1  8  41 o 39.06016 0.6654808 15.02237       0.5155304 17.31729       0.7932485 13.34432       0.6783101 5.082016       1.330962  
1 1 1 -1  8  42 o 42.42055 0.6729508 17.97194       0.5701752 18.66969       0.8330243 17.35691       0.7820832 1.545509       1.345902  
1 1 1 -1  8  43 o 75.38857 0.9002987 56.75973       1.354743  59.18328       1.993381  54.67951       1.846798  2.979469       1.800597  
1 1 1 -1  8  44 o 52.24613 0.7329862 27.30752       0.7656392 26.35862       1.068556  28.30867       1.097582  -1.864758      1.465972  
1 1 1 -1  8  45 f 47.60017 0.9413419 22.74686       0.8844529 23.00904       1.164348  22.38922       1.359910  0.6640968      1.882684  
1 1 1 -1  8  46 o 22.25610 0.7756708 4.943007       0.3442946 5.181154       0.5104729 4.744268       0.4663281 0.9786682      1.551342  
1 1 1 -1  8  47 f 27.15217 0.7318725 7.293386       0.3949862 8.281265       0.5995358 6.535761       0.5250377 3.209265       1.463745  
1 1 1 -1  8  48 o 61.88563 0.8124437 38.26624       1.003410  39.93475       1.478725  36.84235       1.366036  2.488918       1.624887  
1 1 1 -1  8  49 o 59.30291 0.7993204 35.22250       0.9475068 35.71959       1.366836  34.76264       1.314642  0.8021622      1.598641  
1 1 1 -1  8  50 f 27.31243 0.7516893 7.486074       0.4099618 7.161170       0.5875284 7.794373       0.5723180 -1.160597      1.503379  
1 1 1 -1  8  51 o 43.41350 0.7428617 18.88799       0.6445287 17.94289       0.9062793 19.85519       0.9168142 -2.201378      1.485723  
1 1 1 -1  8  52 o 34.80629 1.154302  12.24989       0.7949306 10.13983       1.118414  14.40421       1.130081  -6.123995      2.308604  
1 1 1 -1  8  53 o 64.21470 1.059532  40.89367       1.272357  39.95063       1.537971  42.93889       2.264924  -2.213490      2.119064  
1 1 1 -1  8  54 o 34.68228 0.7631230 12.00829       0.5274303 12.67778       0.7871186 11.46272       0.7105435 1.741680       1.526246  
1 1 1 -1  8  55 o 32.70761 0.7760956 10.71257       0.5065982 10.98544       0.7448971 10.47775       0.6910100 0.7687035      1.552191  
1 1 1 -1  8  56 o 23.16941 1.098056  5.398438       0.5058522 5.445186       0.7588850 5.361058       0.6785958 0.1648026      2.196113  
1 1 1 -1  8  57 o 57.30221 1.141552  33.02340       1.306984  31.80781       1.800233  34.37823       1.900553  -2.219677      2.283103  
1 1 1 -1  8  58 o 34.94975 1.051842  12.29743       0.7351449 12.03768       1.032752  12.56424       1.046692  -0.7500572     2.103684  
1 1 1 -1  8  59 o 35.52282 1.085811  12.70867       0.7711264 13.20272       1.104779  12.23930       1.076833  1.349022       2.171623  
1 1 1 -1  8  60 o 41.94041 1.081964  17.71284       0.9065390 17.27832       1.247198  18.19954       1.319974  -1.078529      2.163929  
1 1 1 -1  8  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  9  1  o 258.2452 2.692529  667.1214       13.90596  663.6605       19.55046  670.6653       19.78362  -1.355072      5.385059  
1 1 1 -1  9  2  o 400.9178 4.169008  1599.800       33.27716  1520.224       44.58355  1699.899       50.00344  -22.36627      8.338016  
1 1 1 -1  9  3  o 540.7560 5.616995  2838.895       59.10950  2568.251       74.07193  3313.430       98.08173  -68.65430      11.23399  
1 1 1 -1  9  4  o 266.8698 2.779851  711.7294       14.82409  729.4597       21.51246  695.6973       20.45626  6.320282       5.559701  
1 1 1 -1  9  5  f 333.5706 3.464993  1108.681       23.03220  1166.165       34.37015  1061.826       31.03021  15.61868       6.929986  
1 1 1 -1  9  6  o 43.38774 0.5824146 18.75539       0.5043157 19.90491       0.7434930 17.77578       0.6863496 2.453541       1.164829  
1 1 1 -1  9  7  o 471.1080 4.907310  2216.458       46.12867  2142.893       62.72688  2303.094       68.07202  -16.95328      9.814620  
1 1 1 -1  9  8  o 594.0784 6.185502  3500.065       72.82927  3282.883       95.63702  3799.873       112.3659  -43.31293      12.37100  
1 1 1 -1  9  9  o 284.9308 2.968082  809.6100       16.86632  845.8772       24.99855  779.3066       22.85101  11.66943       5.936165  
1 1 1 -1  9  10 o 324.3716 4.769330  1053.464       30.93953  1058.079       43.98252  1048.942       43.53117  1.404236       9.538660  
1 1 1 -1  9  11 o 477.4201 4.966215  2280.707       47.38234  2240.229       65.50110  2325.138       68.62553  -8.861359      9.932429  
1 1 1 -1  9  12 o 228.1239 2.753340  517.1930       12.49002  551.5680       18.91155  490.5993       16.63395  13.35005       5.506680  
1 1 1 -1  9  13 o 35.06555 0.6472775 12.24947       0.4530773 11.45298       0.6188688 13.16947       0.6651250 -2.447464      1.294555  
1 1 1 -1  9  14 o 389.8548 4.047414  1518.593       31.50431  1473.676       43.07837  1570.237       46.19207  -12.35364      8.094828  
1 1 1 -1  9  15 o 222.8454 2.330248  494.6326       10.34682  473.3381       13.93056  520.8349       15.45277  -10.64752      4.660496  
1 1 1 -1  9  16 o 173.9239 1.831940  302.1090       6.364082  311.3509       9.288327  293.9312       8.737269  5.004929       3.663880  
1 1 1 -1  9  17 o 199.0310 2.085537  395.3145       8.284251  410.6464       12.19844  382.1903       11.28608  7.142487       4.171075  
1 1 1 -1  9  18 f 349.8318 3.634847  1225.438       25.43073  1231.740       36.15493  1219.266       35.77700  1.777802       7.269693  
1 1 1 -1  9  19 o 120.7214 1.306949  141.8786       3.088133  164.3920       5.030109  128.2602       3.912196  14.95885       2.613898  
1 1 1 -1  9  20 o 61.53457 0.7601736 36.95846       0.9199802 42.85191       1.473334  33.19209       1.177818  7.848038       1.520347  
1 1 1 -1  9  21 f 187.4061 2.430101  347.5978       8.443846  361.9442       15.25113  341.2564       10.13975  5.454391       4.860202  
1 1 1 -1  9  22 f 155.4770 2.332160  241.4244       7.238812  233.6851       9.886665  250.3678       10.62793  -5.354584      4.664320  
1 1 1 -1  9  23 o 271.3834 4.010087  738.8096       21.76483  740.9805       30.91213  736.6752       30.64978  0.7858887      8.020174  
1 1 1 -1  9  24 f 145.9130 1.884234  215.3749       5.287754  221.8770       6.678395  204.4498       8.656822  6.000885       3.768468  
1 1 1 -1  9  25 o 234.1719 2.448217  548.9999       11.46421  543.6965       16.04092  554.5369       16.39041  -2.307816      4.896435  
1 1 1 -1  9  26 o 68.52345 0.8168263 44.87543       1.085467  39.02783       1.348679  55.62914       1.828937  -12.11049      1.633653  
1 1 1 -1  9  27 o 322.2661 3.358070  1040.870       21.63328  1024.307       30.04034  1058.712       31.17962  -5.304535      6.716140  
1 1 1 -1  9  28 o 77.94589 0.9016573 58.98438       1.375013  69.30701       2.245450  52.79135       1.739241  10.59007       1.803315  
1 1 1 -1  9  29 o 191.0395 2.010235  365.3722       7.680514  363.9638       10.81902  366.8031       10.90527  -0.7413483     4.020469  
1 1 1 -1  9  30 o 148.5955 1.583775  219.7313       4.684809  208.9208       6.271994  233.3746       7.045987  -8.214844      3.167551  
1 1 1 -1  9  31 o 220.8313 2.315620  487.9315       10.21624  475.9930       14.06300  501.2729       14.86632  -5.701492      4.631240  
1 1 1 -1  9  32 o 10.73075 1.238243  1.184187       0.2561969 1.051029       0.3789095 1.296331       0.3477297 -1.304497      2.476486  
1 1 1 -1  9  33 o 108.6262 1.193242  117.5003       2.582832  111.7942       3.477228  124.5233       3.857678  -5.851791      2.386484  
1 1 1 -1  9  34 f 53.04868 0.8670344 27.84277       0.8666819 27.24988       1.055371  29.07074       1.518830  -1.708733      1.734069  
1 1 1 -1  9  35 o 74.72638 1.237079  55.55902       1.841005  59.44616       2.762573  52.45362       2.469205  4.670525       2.474157  
1 1 1 -1  9  36 o 113.8622 1.756868  129.7588       3.996098  126.2588       5.493152  133.6932       5.824022  -3.249084      3.513736  
1 1 1 -1  9  37 o 32.83485 0.8751116 10.72359       0.5726148 12.06733       0.8448591 9.581845       0.7787713 3.782965       1.750223  
1 1 1 -1  9  38 o 21.40936 0.8288490 4.673548       0.3390846 4.278670       0.5574669 4.905440       0.4271996 -1.467497      1.657698  
1 1 1 -1  9  39 o 123.0688 1.340115  151.0236       3.284733  159.8692       4.922801  143.9248       4.410015  6.448128       2.680230  
1 1 1 -1  9  40 o 19.22012 0.7998374 3.608948       0.2978973 5.110487       0.4585003 2.512050       0.3918811 6.757262       1.599675  
1 1 1 -1  9  41 o 13.42057 1.273993  1.812650       0.3405677 1.671252       0.4901485 1.944635       0.4735511 -1.019603      2.547985  
1 1 1 -1  9  42 o 72.28265 0.8754347 51.98885       1.260689  48.81124       1.694291  55.93045       1.887006  -4.915268      1.750869  
1 1 1 -1  9  43 o 26.59585 0.6975261 7.061382       0.3703359 7.366340       0.5442496 6.798431       0.5053763 1.065952       1.395052  
1 1 1 -1  9  44 o 24.32958 0.7220387 5.874449       0.3498119 6.544652       0.5243521 5.336938       0.4695840 2.479212       1.444077  
1 1 1 -1  9  45 o 61.71439 0.8028032 38.03873       0.9887782 39.63797       1.456731  36.67245       1.346457  2.395721       1.605606  
1 1 1 -1  9  46 o 15.55207 1.008122  2.394298       0.3079362 3.112931       0.4625156 1.822119       0.4127040 4.145673       2.016245  
1 1 1 -1  9  47 o 33.73196 0.7068444 11.36214       0.4752714 10.11788       0.6548549 12.74699       0.6908602 -3.894524      1.413689  
1 1 1 -1  9  48 o 47.63358 0.7282174 22.57171       0.6906406 24.32523       1.038462  21.18099       0.9248138 3.291622       1.456435  
1 1 1 -1  9  49 o 64.41078 0.8411779 41.47956       1.082196  39.43098       1.485430  43.79683       1.579841  -3.379707      1.682356  
1 1 1 -1  9  50 o 24.16862 1.305344  5.908044       0.6244049 5.648368       0.9419748 6.111574       0.8339450 -0.9765186     2.610687  
1 1 1 -1  9  51 o 29.47685 0.9356820 8.370481       0.5230860 7.697416       0.6341354 9.803556       0.9253126 -3.535324      1.871364  
1 1 1 -1  9  52 o 32.02656 0.7508624 10.25722       0.4801392 10.67323       0.7042630 9.895933       0.6563091 1.208269       1.501725  
1 1 1 -1  9  53 o 20.35289 0.9518654 4.084318       0.3824361 5.147694       0.5818971 3.275745       0.5074140 4.587561       1.903731  
1 1 1 -1  9  54 o 67.10194 0.8818112 45.20469       1.183320  44.62028       1.676157  45.78535       1.670790  -0.8689651     1.763622  
1 1 1 -1  9  55 o 52.01183 0.9366022 27.39888       0.9340333 26.36063       1.545171  27.99670       1.172501  -1.634727      1.873204  
1 1 1 -1  9  56 o 25.51336 1.099759  6.506151       0.5591105 7.264100       0.8309989 5.879255       0.7557502 2.697575       2.199517  
1 1 1 -1  9  57 o 40.13658 1.017660  16.19529       0.8164272 16.70494       1.179613  15.72668       1.131118  1.207935       2.035321  
1 1 1 -1  9  58 o 55.55312 1.123792  31.08243       1.248065  31.92086       1.797588  30.30211       1.734181  1.441120       2.247585  
1 1 1 -1  9  59 o 17.17797 1.500145  3.045354       0.4984985 2.147467       0.6976255 3.982144       0.7125791 -5.334914      3.000289  
1 1 1 -1  9  60 o 47.21451 1.377312  21.82343       1.191677  24.49414       2.232119  20.75875       1.409331  3.682167       2.754625  
1 1 1 -1  10 1  o 199.3771 2.087425  397.2721       8.317693  405.9627       12.03952  389.3364       11.50469  4.167404       4.174850  
1 1 1 -1  10 2  o 125.2585 1.341100  156.6683       3.355356  152.3983       4.607015  161.4920       4.896591  -3.629204      2.682200  
1 1 1 -1  10 3  o 274.1482 2.852778  751.4309       15.63305  765.4980       22.56031  738.4371       21.68275  4.930634       5.705555  
1 1 1 -1  10 4  o 391.5779 4.063128  1533.905       31.80584  1560.223       45.82215  1509.436       44.18310  6.471985       8.126257  
1 1 1 -1  10 5  o 217.5417 2.276091  472.3989       9.885375  457.9149       13.50786  489.1013       14.50545  -7.163483      4.552182  
1 1 1 -1  10 6  o 121.4588 1.310118  147.3120       3.178237  151.6586       4.640296  143.4711       4.362012  3.369781       2.620236  
1 1 1 -1  10 7  o 373.5734 3.877913  1394.827       28.93905  1359.892       39.78093  1434.095       42.17600  -9.913055      7.755827  
1 1 1 -1  10 8  o 163.4402 2.436565  267.0107       7.959493  261.8293       11.02122  272.6593       11.50736  -3.310776      4.873130  
1 1 1 -1  10 9  o 459.0912 4.775789  2093.821       43.57317  1972.240       57.84295  2253.327       66.25329  -30.53091      9.551578  
1 1 1 -1  10 10 o 239.1421 3.531976  571.5330       16.87173  587.3040       24.60338  557.5334       23.18059  6.213699       7.063951  
1 1 1 -1  10 11 o 142.9025 1.752743  204.0269       5.004780  199.3443       6.901972  209.2190       7.267850  -3.453583      3.505487  
1 1 1 -1  10 12 o 620.7455 6.458384  3849.243       79.89676  3695.446       107.7356  4037.197       119.0993  -27.34717      12.91677  
1 1 1 -1  10 13 o 509.9948 5.291868  2602.713       53.91034  2536.336       74.08159  2677.436       78.60040  -13.77014      10.58374  
1 1 1 -1  10 14 o 332.7266 3.458127  1103.859       22.93515  1158.266       34.14531  1059.132       30.95872  14.86557       6.916255  
1 1 1 -1  10 15 f 160.3742 1.696331  256.9706       5.436055  250.7391       7.498402  263.8737       7.892190  -4.092865      3.392662  
1 1 1 -1  10 16 o 331.5675 3.446938  1100.492       22.85480  1090.749       32.01040  1110.623       32.64201  -2.989471      6.893876  
1 1 1 -1  10 17 o 389.4667 4.371034  1520.247       33.70434  1518.896       51.43081  1521.264       44.62144  -0.4212646     8.742068  
1 1 1 -1  10 18 o 275.7011 4.066035  761.6189       22.41823  756.1094       31.45552  767.3063       31.95881  -2.021515      8.132071  
1 1 1 -1  10 19 o 331.9630 4.890154  1104.954       32.44755  1126.544       46.86621  1085.078       44.96815  6.199249       9.780309  
1 1 1 -1  10 20 o 190.4442 3.454660  365.6946       12.54533  371.2621       15.61350  355.5522       21.07346  4.227386       6.909320  
1 1 1 -1  10 21 o 404.2616 5.140237  1648.694       39.46619  1663.881       48.82891  1620.078       67.02441  5.995178       10.28047  
1 1 1 -1  10 22 o 81.13063 0.9234105 65.07624       1.485816  60.34247       1.954139  71.56319       2.287556  -6.912987      1.846821  
1 1 1 -1  10 23 o 228.7912 2.394068  524.0308       10.95301  529.5120       15.66225  518.7844       15.32310  2.337906       4.788136  
1 1 1 -1  10 24 o 110.0232 1.200079  120.1915       2.625082  113.3707       3.491260  129.0634       3.981764  -7.126862      2.400158  
1 1 1 -1  10 25 o 361.3289 3.761024  1309.542       27.17589  1320.837       38.80210  1298.668       38.07330  3.046021       7.522049  
1 1 1 -1  10 26 o 74.24326 0.8735422 54.48827       1.286420  60.04915       1.979542  50.42301       1.692532  6.480659       1.747084  
1 1 1 -1  10 27 o 168.7838 1.784098  285.1036       6.022278  286.4561       8.563941  283.7805       8.470404  0.7910767      3.568196  
1 1 1 -1  10 28 o 37.89080 0.6257629 14.36216       0.4739909 14.23571       0.6791093 14.48227       0.6618719 -0.3254662     1.251526  
1 1 1 -1  10 29 o 55.80618 0.7239522 31.07851       0.8066415 32.29481       1.183284  30.02259       1.102520  2.035175       1.447904  
1 1 1 -1  10 30 f 250.8087 2.623108  628.9755       13.13078  608.2155       17.89474  653.1927       19.32734  -8.921860      5.246217  
1 1 1 -1  10 31 o 82.39658 0.9468166 67.85053       1.559051  69.47364       2.259496  66.37553       2.153951  1.878616       1.893633  
1 1 1 -1  10 32 o 80.01921 0.9300250 63.58851       1.480663  59.74247       1.975456  68.51927       2.236749  -5.480324      1.860050  
1 1 1 -1  10 33 o 48.65990 0.6891338 23.53065       0.6684784 21.63449       0.9033827 25.82544       0.9938176 -4.305233      1.378268  
1 1 1 -1  10 34 o 75.19414 0.8878919 56.35117       1.331552  59.39082       1.974734  53.81684       1.803141  3.703018       1.775784  
1 1 1 -1  10 35 f 89.78155 1.017070  80.65142       1.826066  79.63383       2.558420  81.70817       2.607165  -1.153946      2.034141  
1 1 1 -1  10 36 o 66.21011 0.8130535 43.51336       1.070530  47.06527       1.622390  40.77427       1.424714  4.745766       1.626107  
1 1 1 -1  10 37 o 64.36679 0.8086386 41.34757       1.039396  39.52019       1.422582  43.44024       1.522339  -3.042324      1.617277  
1 1 1 -1  10 38 o 134.6427 1.768931  183.3979       4.560113  187.1413       5.711658  176.8168       7.573118  3.967392       3.537862  
1 1 1 -1  10 39 f 88.26535 1.415797  78.10207       2.499160  77.55657       3.510630  78.66256       3.558549  -0.6234283     2.831594  
1 1 1 -1  10 40 o 58.25685 1.059034  33.91488       1.232177  35.42281       1.802126  32.59106       1.688538  2.424419       2.118068  
1 1 1 -1  10 41 f 84.02958 1.242010  71.18357       2.067438  67.47057       3.099452  74.15985       2.774981  -4.001999      2.484020  
1 1 1 -1  10 42 o 69.60721 0.8573934 48.42021       1.191644  50.02129       1.746137  47.02451       1.630298  2.146767       1.714787  
1 1 1 -1  10 43 o 99.94170 1.126293  99.70392       2.244365  94.95185       3.033136  105.4542       3.336536  -5.230377      2.252586  
1 1 1 -1  10 44 o 13.87731 1.059042  1.908689       0.2917973 2.107674       0.4467470 1.760636       0.3853535 1.245644       2.118084  
1 1 1 -1  10 45 o 80.71480 0.9571957 65.18991       1.543799  62.99447       2.128550  67.62654       2.242422  -2.860298      1.914391  
1 1 1 -1  10 46 o 51.88409 0.7457542 26.94676       0.7733849 27.30519       1.116317  26.61594       1.072463  0.6611443      1.491508  
1 1 1 -1  10 47 o 43.12045 0.7149171 18.48064       0.6135657 20.04199       0.9250128 17.25400       0.8198923 3.224926       1.429834  
1 1 1 -1  10 48 o 39.31226 1.094397  15.52055       0.8564945 15.44022       1.272092  15.58717       1.158406  -0.2009201     2.188793  
1 1 1 -1  10 49 o 16.34888 1.421584  2.637845       0.4575540 2.406516       0.5878347 2.993442       0.7288173 -1.770029      2.843169  
1 1 1 -1  10 50 o 38.70732 0.7286252 14.97119       0.5625710 13.51021       0.7754260 16.59473       0.8174256 -3.980293      1.457250  
1 1 1 -1  10 51 o 55.83885 0.7945924 31.26446       0.8872189 30.85957       1.261337  31.66095       1.248200  -0.7190781     1.589185  
1 1 1 -1  10 52 o 38.25348 0.7444699 14.66497       0.5686846 13.58548       0.7959471 15.79067       0.8128007 -2.880474      1.488940  
1 1 1 -1  10 53 o 16.19761 1.085477  2.610932       0.3492884 2.876345       0.5329753 2.411123       0.4624374 1.422984       2.170953  
1 1 1 -1  10 54 o 29.72880 0.8935855 9.097064       0.5127333 6.411942       0.7287123 11.72980       0.7215692 -8.945044      1.787171  
1 1 1 -1  10 55 o 19.62697 1.239554  3.996127       0.4724294 3.169295       0.7053282 4.668900       0.6362335 -3.836037      2.479107  
1 1 1 -1  10 56 o 18.80131 1.278293  3.592114       0.4771990 3.280768       0.6973071 3.866367       0.6544521 -1.568293      2.556585  
1 1 1 -1  10 57 o 23.28997 1.207951  5.460492       0.5617769 5.904060       0.8156751 5.060224       0.7748418 1.800613       2.415902  
1 1 1 -1  10 58 o 12.55408 1.923154  1.674970       0.4686944 1.633105       0.6719331 1.714642       0.6540948 -0.3323708     3.846308  
1 1 1 -1  10 59 o 14.63988 1.771518  2.216228       0.5069665 2.431285       0.7373713 2.023439       0.6981530 1.592787       3.543036  
1 1 1 -1  10 60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  11 1  o 316.2628 4.654416  1001.137       29.43282  1014.763       42.20316  988.2338       41.06859  4.183502       9.308832  
1 1 1 -1  11 2  o 549.0710 6.629235  2939.628       71.07416  2668.610       89.64820  3398.232       116.6170  -66.08038      13.25847  
1 1 1 -1  11 3  o 255.5169 2.666418  652.8481       13.62038  663.0255       19.60826  643.3592       18.93371  3.844666       5.332837  
1 1 1 -1  11 4  o 379.7797 4.553742  1443.846       34.58386  1431.509       48.44413  1456.667       49.38744  -3.303467      9.107485  
1 1 1 -1  11 5  o 325.3354 5.824433  1068.908       36.24924  1031.394       60.33761  1090.095       45.34447  -9.201324      11.64887  
1 1 1 -1  11 6  o 305.3678 6.362799  927.1876       38.58654  874.9782       51.08089  996.5735       58.88707  -19.80322      12.72560  
1 1 1 -1  11 7  o 347.3982 5.104807  1208.728       35.46529  1216.661       50.52951  1201.025       49.78966  2.242035       10.20961  
1 1 1 -1  11 8  o 277.4306 2.888596  762.4531       15.89021  826.5499       24.45994  715.6489       20.90158  19.96323       5.777192  
1 1 1 -1  11 9  o 105.3880 1.150486  111.0687       2.424814  110.3747       3.407619  111.7806       3.451206  -0.6668930     2.300972  
1 1 1 -1  11 10 o 503.7118 5.236042  2539.527       52.70095  2479.624       72.68775  2605.914       76.52069  -12.48373      10.47208  
1 1 1 -1  11 11 o 314.9519 3.274549  992.7646       20.62626  995.4432       29.25661  990.1177       29.08402  0.8438416      6.549098  
1 1 1 -1  11 12 o 325.0560 3.379483  1057.211       21.96277  1042.916       30.58292  1072.434       31.56023  -4.530640      6.758966  
1 1 1 -1  11 13 o 322.9491 3.357632  1043.195       21.67170  1065.161       31.35650  1023.107       29.98622  6.496155       6.715264  
1 1 1 -1  11 14 o 113.8364 1.526317  127.2439       3.193306  135.6041       5.891717  123.7665       3.799841  5.188324       3.052635  
1 1 1 -1  11 15 o 267.6408 3.949095  714.4637       21.06037  751.9620       31.44408  683.9570       28.36159  12.65680       7.898191  
1 1 1 -1  11 16 o 136.4188 2.060250  186.1986       5.621135  186.0734       7.947142  186.3239       7.951830  -0.9175110E-01 4.120500  
1 1 1 -1  11 17 o 513.8751 7.591471  2647.684       77.67248  2523.978       104.1282  2802.855       116.6214  -26.67450      15.18294  
1 1 1 -1  11 18 o 105.8498 1.415951  112.1680       2.828421  112.3553       3.468429  111.7963       4.886777  0.2745819      2.831902  
1 1 1 -1  11 19 o 110.5507 1.202316  120.6451       2.630278  132.9598       4.092571  111.9786       3.433238  9.484711       2.404631  
1 1 1 -1  11 20 o 238.7928 2.494859  570.8317       11.91393  575.1146       16.99064  566.6890       16.71054  1.759506       4.989719  
1 1 1 -1  11 21 o 393.3340 4.093254  1551.291       32.17469  1519.347       44.45572  1586.429       46.62556  -8.459747      8.186508  
1 1 1 -1  11 22 o 48.61892 0.6754712 22.92397       0.6456837 19.84233       0.8258139 27.77101       1.035688  -8.152760      1.350942  
1 1 1 -1  11 23 f 168.7608 1.783573  283.9531       6.001470  272.4590       8.115156  297.8276       8.915973  -7.505005      3.567146  
1 1 1 -1  11 24 o 67.26855 0.8077466 45.25368       1.086600  45.49215       1.549865  45.02314       1.523834  0.3484344      1.615493  
1 1 1 -1  11 25 o 213.2440 2.235093  455.2975       9.532363  455.9841       13.50348  454.6154       13.45823  0.3200226      4.470186  
1 1 1 -1  11 26 o 206.1599 2.164188  424.9086       8.912264  413.5648       12.24293  437.6961       12.99868  -5.837280      4.328377  
1 1 1 -1  11 27 o 180.3582 1.902762  325.3252       6.858276  318.3236       9.478117  333.0200       9.936227  -4.065338      3.805524  
1 1 1 -1  11 28 o 79.14584 0.9165586 62.39059       1.446080  65.82410       2.152880  59.56800       1.951980  3.950241       1.833117  
1 1 1 -1  11 29 f 55.87052 0.7304704 31.22020       0.8162020 30.83129       1.151663  31.61267       1.156923  -0.6992264     1.460941  
1 1 1 -1  11 30 o 152.7796 1.627408  233.0802       4.962530  225.1772       6.763535  242.2960       7.303704  -5.590286      3.254816  
1 1 1 -1  11 31 o 84.97378 0.9718047 71.96422       1.647224  68.68674       2.233250  75.87482       2.439434  -4.226395      1.943609  
1 1 1 -1  11 32 o 196.5955 2.071625  387.2192       8.143425  382.3637       11.36557  392.3416       11.67370  -2.526245      4.143251  
1 1 1 -1  11 33 o 123.1800 1.336910  150.4005       3.267770  140.7070       4.308799  163.5239       5.013489  -9.241020      2.673820  
1 1 1 -1  11 34 o 63.43284 0.7909530 40.24762       1.003217  40.58571       1.436640  39.92586       1.401538  0.5194244      1.581906  
1 1 1 -1  11 35 f 62.70750 0.7883562 38.66597       0.9782456 34.90244       1.275094  44.05029       1.525139  -7.288067      1.576712  
1 1 1 -1  11 36 o 135.5777 1.460817  184.1290       3.960108  181.6507       5.526759  186.7440       5.677144  -1.870941      2.921634  
1 1 1 -1  11 37 o 83.88626 0.9670021 70.44131       1.622350  70.05264       2.289916  70.83300       2.298810  -0.4647980     1.934004  
1 1 1 -1  11 38 o 33.92276 0.6523301 11.51775       0.4421793 11.41374       0.6374199 11.61423       0.6139143 -0.2961960     1.304660  
1 1 1 -1  11 39 o 21.95013 0.7379184 4.840053       0.3226123 4.397674       0.4608497 5.265173       0.4517712 -1.976393      1.475837  
1 1 1 -1  11 40 o 53.90455 0.7364409 28.97795       0.7925088 27.28744       1.082427  30.93123       1.163515  -3.376671      1.472882  
1 1 1 -1  11 41 o 59.15479 0.9302976 35.54531       1.066916  37.29172       1.370742  32.86116       1.699366  3.762119       1.860595  
1 1 1 -1  11 42 o 44.81771 0.9462271 19.99095       0.8453575 18.43983       1.141500  21.87485       1.258006  -3.824764      1.892454  
1 1 1 -1  11 43 o 22.56944 0.9700693 5.102362       0.4378347 5.195947       0.6239021 5.011550       0.6145865 0.4078732      1.940139  
1 1 1 -1  11 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  11 45 o 18.36628 1.343895  3.600141       0.3991811 3.029212       0.8391815 3.767104       0.4538115 -2.051834      2.687791  
1 1 1 -1  11 46 o 16.14617 1.794109  2.889646       0.5243719 1.739484       0.7888895 3.800045       0.7018635 -6.602912      3.588218  
1 1 1 -1  11 47 o 16.51216 1.235512  2.692198       0.3868071 2.596597       0.4726624 2.886042       0.6730489 -0.8497372     2.471024  
1 1 1 -1  11 48 f 14.89887 1.081412  2.265252       0.3159768 1.999251       0.4790440 2.470108       0.4203955 -1.587684      2.162824  
1 1 1 -1  11 49 o 36.03494 0.7253055 12.97069       0.5204319 11.35403       0.7161635 14.77978       0.7575859 -4.749420      1.450611  
1 1 1 -1  11 50 o 11.41107 1.391477  1.301676       0.3055550 1.730495       0.4700933 0.9879717      0.4020755 3.405681       2.782953  
1 1 1 -1  11 51 o 16.24275 1.082040  2.721421       0.3421998 2.164525       0.5073866 3.186097       0.4634761 -3.151489      2.164080  
1 1 1 -1  11 52 o 44.36473 0.7521826 19.69711       0.6662728 20.32009       0.9766108 19.15469       0.9112819 1.305511       1.504365  
1 1 1 -1  11 53 o 13.19445 1.417866  1.737985       0.3401805 2.935966       0.5324820 0.9118732      0.4421806 7.777214       2.835731  
1 1 1 -1  11 54 o 41.05355 0.9414138 17.03068       0.7680385 15.72962       1.122897  18.17443       1.052827  -2.989464      1.882828  
1 1 1 -1  11 55 o 38.02339 1.013993  14.52870       0.7707662 13.99894       1.072863  15.09377       1.108045  -1.432610      2.027987  
1 1 1 -1  11 56 o 19.82142 1.295499  3.968521       0.5130218 3.723674       0.7183849 4.223345       0.7328767 -1.256334      2.590999  
1 1 1 -1  11 57 o 42.72257 1.059658  18.11866       0.8987421 16.15300       1.187614  20.75308       1.374875  -5.339573      2.119316  
1 1 1 -1  11 58 o 14.77918 1.785287  2.321606       0.5018869 1.668455       0.7155337 2.954146       0.7041536 -4.567830      3.570573  
1 1 1 -1  11 59 o 38.61191 1.102110  15.01924       0.8504974 15.40694       1.231013  14.66516       1.176413  0.9458733      2.204220  
1 1 1 -1  12 1  o 251.1179 3.024998  630.9373       15.19155  635.4850       21.63977  626.5182       21.33173  1.783157       6.049995  
1 1 1 -1  12 2  o 394.0317 5.794487  1550.032       45.51293  1485.471       61.44191  1628.528       67.74937  -18.06464      11.58897  
1 1 1 -1  12 3  o 333.3015 3.732064  1114.699       24.75979  1143.010       33.66884  1081.356       36.53815  9.275116       7.464129  
1 1 1 -1  12 4  o 297.2816 3.098183  883.8419       18.41083  899.4968       26.55812  869.3585       25.54510  5.061127       6.196366  
1 1 1 -1  12 5  o 497.5433 5.173505  2454.824       51.02789  2301.089       67.06026  2666.263       78.64495  -36.54395      10.34701  
1 1 1 -1  12 6  o 105.0373 1.153730  110.0462       2.418526  114.6347       3.563070  106.1260       3.293444  4.049538       2.307461  
1 1 1 -1  12 7  o 466.6141 4.839779  2181.055       45.16284  2166.408       63.40998  2196.136       64.34000  -3.173096      9.679558  
1 1 1 -1  12 8  o 270.5403 2.818687  732.3799       15.25114  730.3665       21.49777  734.4196       21.63966  -0.7478943     5.637374  
1 1 1 -1  12 9  o 325.8037 3.394800  1062.522       22.12076  1063.685       31.30778  1061.362       31.25922  0.3560181      6.789601  
1 1 1 -1  12 10 o 211.1121 2.214205  445.7518       9.346592  440.3973       13.04534  451.3994       13.39786  -2.603256      4.428411  
1 1 1 -1  12 11 o 272.6505 3.468410  747.7915       17.98006  732.7607       30.45443  755.8340       22.27692  -4.327698      6.936820  
1 1 1 -1  12 12 f 249.6325 3.686673  623.8703       18.40126  616.3499       25.66895  631.8207       26.39278  -3.088730      7.373346  
1 1 1 -1  12 13 f 402.9945 5.932389  1630.593       47.81237  1638.590       67.99100  1622.770       67.24892  1.944794       11.86478  
1 1 1 -1  12 14 o 394.8774 5.813322  1565.897       45.90879  1574.071       65.30611  1557.911       64.55016  2.026459       11.62664  
1 1 1 -1  12 15 o 98.86572 1.332391  98.07727       2.494075  98.73576       3.072730  96.80569       4.269933  0.9838104      2.664782  
1 1 1 -1  12 16 o 313.0108 3.256752  980.6276       20.37546  1000.173       29.43799  962.6533       28.23043  5.972351       6.513505  
1 1 1 -1  12 17 o 198.6335 2.086634  394.6931       8.286934  389.4333       11.54854  400.2765       11.89827  -2.725174      4.173269  
1 1 1 -1  12 18 o 241.9877 2.529436  584.8417       12.21600  565.6298       16.64247  607.2855       17.98795  -8.584747      5.058871  
1 1 1 -1  12 19 o 215.5243 2.258528  464.8202       9.732100  458.4241       13.55526  471.6244       13.98115  -3.055267      4.517057  
1 1 1 -1  12 20 o 63.37400 0.7706418 39.43801       0.9648596 35.76598       1.251187  44.82557       1.515534  -7.146080      1.541284  
1 1 1 -1  12 21 o 132.9559 1.424106  176.5228       3.781118  171.2170       5.178622  182.5809       5.533633  -4.269547      2.848213  
1 1 1 -1  12 22 o 268.9416 2.808208  723.3623       15.08395  746.2009       22.03793  703.2325       20.68971  7.958832       5.616416  
1 1 1 -1  12 23 o 65.41798 0.7922722 42.80255       1.036544  42.65280       1.470175  42.95057       1.461652  -0.2276535     1.584544  
1 1 1 -1  12 24 o 91.84924 1.027594  84.25529       1.885584  81.76369       2.593543  87.04893       2.746240  -2.875710      2.055187  
1 1 1 -1  12 25 f 29.59043 0.6310439 8.310440       0.3637064 11.38037       0.5947548 6.476640       0.4596741 8.285183       1.262088  
1 1 1 -1  12 26 o 114.6291 1.247079  131.2485       2.855192  135.3198       4.169309  127.6531       3.918093  3.340836       2.494158  
1 1 1 -1  12 27 o 71.33936 0.8472962 50.90548       1.208858  50.80096       1.716718  51.00827       1.702536  -0.1454315     1.694592  
1 1 1 -1  12 28 o 85.20876 0.9747983 72.57452       1.660387  70.99297       2.303886  74.28371       2.395050  -1.929909      1.949597  
1 1 1 -1  12 29 f 232.7710 2.439691  543.1128       11.35771  542.0778       16.02865  544.1566       16.09603  -0.4442139     4.879381  
1 1 1 -1  12 30 o 82.38379 0.9478889 67.73101       1.559238  65.12215       2.131720  70.73276       2.286612  -3.402809      1.895778  
1 1 1 -1  12 31 o 98.63258 1.099625  96.55254       2.155147  104.0789       3.280030  90.83490       2.858869  6.705421       2.199249  
1 1 1 -1  12 32 o 128.0590 1.383878  164.1819       3.544259  164.7161       5.034794  163.6571       4.990182  0.4121246      2.767757  
1 1 1 -1  12 33 o 178.6547 1.891111  319.8966       6.755623  316.0328       9.435325  323.9609       9.677048  -2.207382      3.782221  
1 1 1 -1  12 34 o 54.10822 0.7325063 28.62993       0.7829430 25.12538       1.015161  33.77490       1.230013  -7.988022      1.465013  
1 1 1 -1  12 35 f 121.4900 1.321833  147.8390       3.211665  148.3934       4.565445  147.2959       4.518873  0.4496231      2.643666  
1 1 1 -1  12 36 o 73.19653 0.8746035 53.49557       1.278540  51.32101       1.751891  55.97364       1.870154  -3.174194      1.749207  
1 1 1 -1  12 37 o 16.75134 0.8650771 2.848452       0.2857164 2.407805       0.4164166 3.240434       0.3927494 -2.486167      1.730154  
1 1 1 -1  12 38 f 46.40245 0.6903299 21.50590       0.6397945 22.28335       0.9347413 20.82063       0.8775742 1.574238       1.380660  
1 1 1 -1  12 39 o 119.3259 1.307687  142.7395       3.120560  143.5644       4.446691  141.9391       4.380334  0.6764221      2.615373  
1 1 1 -1  12 40 o 91.67104 1.045864  84.07335       1.915371  86.36641       2.788511  82.02512       2.635453  2.358887       2.091727  
1 1 1 -1  12 41 f 28.08933 0.6802167 7.915862       0.3809537 7.228642       0.5404420 8.594541       0.5370735 -2.431498      1.360433  
1 1 1 -1  12 42 o 65.07890 0.8247306 42.33711       1.071839  43.67092       1.567926  41.16700       1.468566  1.918015       1.649461  
1 1 1 -1  12 43 f 22.64713 1.134508  5.695203       0.4304263 4.106864       0.8221563 6.294921       0.5051922 -4.856688      2.269016  
1 1 1 -1  12 44 o 54.15342 1.123570  29.22539       1.210057  31.15709       1.830944  27.72735       1.612377  3.145313       2.247139  
1 1 1 -1  12 45 o 67.92272 1.227747  46.23345       1.667838  46.23345       1.667838  ?              ?         ?              ?         
1 1 1 -1  12 46 o 38.13780 0.9341941 14.54195       0.7115248 15.40140       1.040516  13.78707       0.9751571 2.109955       1.868388  
1 1 1 -1  12 47 o 48.06873 0.9924384 23.12078       0.9528162 21.97336       1.307233  24.42127       1.391701  -2.536480      1.984877  
1 1 1 -1  12 48 o 21.36564 0.9637320 4.461939       0.3967364 5.013353       0.6721364 4.167095       0.4914898 1.958096       1.927464  
1 1 1 -1  12 49 o 15.51836 1.061074  2.443288       0.3255607 2.208381       0.4834185 2.638252       0.4404063 -1.391197      2.122149  
1 1 1 -1  12 50 o 30.36215 0.7749882 8.935457       0.4627520 11.30943       0.7357714 7.381879       0.5952114 6.452034       1.549976  
1 1 1 -1  12 51 o 43.59556 0.7499949 19.05330       0.6532912 19.02140       0.9445616 19.08256       0.9045249 -0.7473755E-01 1.499990  
1 1 1 -1  12 52 o 35.66700 0.7591916 12.57750       0.5375907 14.38109       0.8222910 11.23117       0.7104488 4.400936       1.518383  
1 1 1 -1  12 53 o 37.05992 0.8740028 13.77921       0.6468118 13.92261       0.9433993 13.65201       0.8885251 0.3565826      1.748006  
1 1 1 -1  12 54 f 31.63885 1.019247  10.04512       0.6442618 9.528316       0.8877965 10.62004       0.9363921 -1.715767      2.038495  
1 1 1 -1  12 55 f 25.53832 1.095961  6.566331       0.5597314 6.639718       0.7980407 6.495274       0.7852733 0.2799416      2.191922  
1 1 1 -1  12 56 o 40.54346 1.035322  16.51967       0.8387899 17.32175       1.216138  15.79191       1.158422  1.873444       2.070645  
1 1 1 -1  12 57 o 12.09078 1.941251  1.539045       0.4588300 1.828198       0.6810021 1.298664       0.6209192 2.096405       3.882501  
1 1 1 -1  12 58 o 31.08401 1.097426  9.743636       0.6822042 9.852278       0.9714621 9.637932       0.9582388 0.3411407      2.194852  
1 1 1 -1  12 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  13 1  o 430.1668 6.324051  1854.241       54.34455  1905.547       79.16872  1808.524       74.73259  11.19324       12.64810  
1 1 1 -1  13 2  f 42.60259 0.8732611 18.09165       0.7427965 19.23407       1.089464  17.09930       1.015389  2.505249       1.746522  
1 1 1 -1  13 3  f 376.4489 4.790992  1419.584       33.99334  1421.071       58.93242  1418.842       41.61403  0.4559326E-01  9.581984  
1 1 1 -1  13 4  o 192.4171 2.019436  370.3385       7.770799  373.1396       11.07789  367.6250       10.90333  1.431870       4.038872  
1 1 1 -1  13 5  o 514.8328 5.354612  2618.963       54.46163  2427.804       70.72128  2897.525       85.37144  -45.36609      10.70922  
1 1 1 -1  13 6  f 98.45946 1.091102  96.95047       2.148497  96.63503       3.022688  97.27258       3.054429  -0.3236465     2.182204  
1 1 1 -1  13 7  o 118.9601 1.557703  143.1733       3.565012  135.4216       5.826654  147.8115       4.507098  -5.214638      3.115405  
1 1 1 -1  13 8  o 57.50341 1.031019  31.61660       1.153965  27.10122       1.442824  39.63257       1.922405  -10.89435      2.062038  
1 1 1 -1  13 9  o 225.4320 3.337615  508.7612       15.04666  504.6816       21.10418  512.9789       21.45864  -1.835693      6.675231  
1 1 1 -1  13 10 o 140.7798 2.123875  198.2653       5.979101  196.6455       8.371574  199.9520       8.542466  -1.172836      4.247750  
1 1 1 -1  13 11 o 262.0584 3.344862  688.6776       16.56759  690.6608       20.35627  684.7864       28.51412  1.241455       6.689724  
1 1 1 -1  13 12 o 375.1539 3.899292  1410.104       29.25286  1422.853       41.77610  1397.839       40.97511  3.318878       7.798584  
1 1 1 -1  13 13 o 231.5867 2.421660  536.6831       11.21468  542.0213       16.03261  531.5688       15.69276  2.252457       4.843319  
1 1 1 -1  13 14 f 166.7978 1.761896  277.5008       5.862578  267.2189       7.957222  289.7085       8.670499  -6.734634      3.523793  
1 1 1 -1  13 15 o 148.1034 1.574784  218.8293       4.653750  227.9720       6.868051  211.0682       6.327878  5.701630       3.149568  
1 1 1 -1  13 16 o 262.0186 2.733543  687.4648       14.32409  683.8180       20.13960  691.1981       20.37713  -1.403961      5.467085  
1 1 1 -1  13 17 o 149.4911 1.590088  222.6769       4.738172  213.0879       6.394290  234.3534       7.056052  -7.104843      3.180176  
1 1 1 -1  13 18 o 135.8185 1.453903  184.5531       3.949305  184.1590       5.571513  184.9511       5.598910  -0.2912598     2.907806  
1 1 1 -1  13 19 o 290.4744 3.028062  845.3705       17.58913  837.9430       24.63491  853.0944       25.12181  -2.596283      6.056124  
1 1 1 -1  13 20 o 86.16333 0.9724752 74.24105       1.675584  73.39768       2.345160  75.12058       2.394891  -0.9994202     1.944950  
1 1 1 -1  13 21 f 61.56112 0.7672640 37.63598       0.9404216 35.22141       1.259078  40.68275       1.414334  -4.434727      1.534528  
1 1 1 -1  13 22 o 208.7221 2.190782  435.9482       9.141270  443.3779       13.16342  429.0278       12.70422  3.428696       4.381564  
1 1 1 -1  13 23 o 69.07393 0.8289147 47.25516       1.137723  43.84636       1.508013  51.75902       1.733394  -5.725937      1.657829  
1 1 1 -1  13 24 o 82.10794 0.9393703 66.49229       1.526075  73.72478       2.377402  61.42365       1.990237  7.487206       1.878741  
1 1 1 -1  13 25 o 98.26099 1.091391  96.58604       2.144811  96.20083       3.027314  96.97427       3.039162  -0.3934250     2.182783  
1 1 1 -1  13 26 o 121.5827 1.316973  146.4139       3.175736  159.1067       4.883888  137.1156       4.180126  9.033020       2.633946  
1 1 1 -1  13 27 o 196.8744 2.071874  388.1223       8.156804  384.3561       11.41957  392.0455       11.65496  -1.946701      4.143748  
1 1 1 -1  13 28 o 216.6770 2.276025  469.6924       9.848571  484.7999       14.40564  456.4348       13.49489  6.514709       4.552051  
1 1 1 -1  13 29 o 138.9601 1.489788  193.1251       4.137279  197.4713       5.992259  189.1660       5.719275  2.981766       2.979575  
1 1 1 -1  13 30 o 137.8750 1.479883  190.2658       4.079928  187.9113       5.700058  192.7393       5.842353  -1.746887      2.959765  
1 1 1 -1  13 31 o 85.49644 0.9781914 72.92991       1.668804  76.12408       2.462485  70.21698       2.269411  3.450363       1.956383  
1 1 1 -1  13 32 o 150.8820 1.611003  228.0720       4.861283  226.8615       6.843065  229.3054       6.907167  -0.8072357     3.222006  
1 1 1 -1  13 33 o 34.72866 0.6484858 11.74821       0.4443731 14.27436       0.6998407 10.04169       0.5752086 6.091436       1.296972  
1 1 1 -1  13 34 o 127.7635 1.384331  163.4057       3.534955  166.8664       5.112693  160.2361       4.892909  2.584473       2.768661  
1 1 1 -1  13 35 o 79.32705 0.9291573 62.47575       1.466179  58.32504       1.953542  67.82943       2.218644  -5.981064      1.858315  
1 1 1 -1  13 36 o 78.63025 0.9238404 61.89445       1.452820  61.55985       2.054669  62.22901       2.054526  -0.4255142     1.847681  
1 1 1 -1  13 37 o 78.42137 0.9248421 61.39805       1.448039  58.75017       1.977925  64.45644       2.125726  -3.631683      1.849684  
1 1 1 -1  13 38 o 22.40055 0.7370628 5.038243       0.3291096 4.735945       0.4755037 5.316218       0.4559729 -1.295977      1.474126  
1 1 1 -1  13 39 o 73.65759 0.8879197 53.77417       1.298147  58.66069       1.989315  50.15004       1.713189  5.763489       1.775839  
1 1 1 -1  13 40 o 82.28738 0.9629974 67.80621       1.584609  66.64845       2.217709  69.01385       2.264990  -1.434364      1.925995  
1 1 1 -1  13 41 o 44.18835 0.9025933 18.89269       0.7103681 21.02204       1.394884  18.14706       0.8254251 3.217617       1.805187  
1 1 1 -1  13 42 o 17.29337 1.544980  2.833049       0.4913811 4.628191       0.8097796 1.786804       0.6182076 8.356532       3.089959  
1 1 1 -1  13 43 f 40.46471 1.055327  16.40678       0.8502233 16.53560       1.266101  16.30098       1.147433  0.2792015      2.110655  
1 1 1 -1  13 44 o 75.54597 0.9196824 56.74706       1.382560  52.84768       1.845418  61.73571       2.087321  -5.860817      1.839365  
1 1 1 -1  13 45 f 65.38376 0.8432952 42.76204       1.100783  44.09462       1.614805  41.60525       1.504524  1.893875       1.686590  
1 1 1 -1  13 46 o 48.62077 0.7438215 23.69208       0.7229933 23.07323       1.027550  24.29884       1.017459  -1.261234      1.487643  
1 1 1 -1  13 47 o 23.82391 0.8114362 5.559883       0.3817440 6.950892       0.5891756 4.553377       0.5011732 5.022806       1.622872  
1 1 1 -1  13 48 f 57.32202 0.9574355 32.80358       1.048276  32.40826       1.298376  33.54378       1.776622  -0.9291649     1.914871  
1 1 1 -1  13 49 o 18.56737 1.230083  3.514710       0.4460295 2.631089       0.6270207 4.419849       0.6346097 -4.815649      2.460166  
1 1 1 -1  13 50 f 37.42485 0.9639927 14.06080       0.7215455 14.04814       1.020043  14.07347       1.020797  -0.3372574E-01 1.927985  
1 1 1 -1  13 51 o 67.89752 1.208007  46.37067       1.639086  45.18443       2.263384  47.67879       2.376810  -1.813644      2.416015  
1 1 1 -1  13 52 o 17.79443 1.124024  3.277977       0.3872717 2.725798       0.5958230 3.681904       0.5095994 -2.703234      2.248048  
1 1 1 -1  13 53 o 28.28981 1.035855  8.031190       0.5854588 8.473107       0.8511838 7.634408       0.8065459 1.473740       2.071709  
1 1 1 -1  13 54 o 58.84652 1.141566  34.75803       1.340477  33.09359       1.821992  36.72208       1.979191  -3.047165      2.283132  
1 1 1 -1  13 55 o 30.32508 1.050264  9.260192       0.6368971 9.054520       0.8981031 9.468267       0.9033368 -0.6809616     2.100528  
1 1 1 -1  13 56 o 35.07431 1.039628  12.38751       0.7290012 11.94050       1.026924  12.84162       1.035050  -1.282681      2.079255  
1 1 1 -1  13 57 o 51.35191 1.104811  26.57454       1.134106  27.30809       1.636144  25.89615       1.573429  1.357471       2.209622  
1 1 1 -1  13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  14 1  o 427.6795 4.444781  1831.374       37.98769  1875.193       55.07474  1791.608       52.46561  9.725769       8.889563  
1 1 1 -1  14 2  o 121.2997 1.617196  144.4940       3.600402  140.6036       4.280250  153.9068       6.657838  -5.468422      3.234391  
1 1 1 -1  14 3  o 146.4419 2.204027  214.3855       6.450776  209.8422       8.925159  219.3548       9.334128  -3.244232      4.408054  
1 1 1 -1  14 4  o 165.9792 3.509817  0.000000       0.000000  ?              ?         275.6908       11.65113  ?              ?         
1 1 1 -1  14 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  14 6  o 349.9283 10.34534  0.000000       0.000000  ?              ?         1232.727       72.40252  ?              ?         
1 1 1 -1  14 7  o 257.0706 5.368378  0.000000       0.000000  ?              ?         662.0979       27.60104  ?              ?         
1 1 1 -1  14 8  o 224.1895 2.880593  501.2661       12.10357  497.7405       14.71252  508.6486       21.28968  -2.342606      5.761187  
1 1 1 -1  14 9  o 191.8712 2.015969  368.2720       7.734576  372.4987       11.07199  364.2435       10.80942  2.148529       4.031938  
1 1 1 -1  14 10 o 298.9018 3.113417  894.4855       18.60772  905.0622       26.66297  884.4428       25.98087  3.437927       6.226834  
1 1 1 -1  14 11 o 293.2952 3.055305  859.0641       17.87819  894.6523       26.41114  828.9648       24.28909  11.16183       6.110610  
1 1 1 -1  14 12 o 243.3232 2.541747  592.7043       12.36920  591.3058       17.44640  594.1178       17.53934  -0.5764160     5.083494  
1 1 1 -1  14 13 o 170.6238 1.801589  290.4852       6.133548  280.1273       8.339775  302.6886       9.052258  -6.603058      3.603177  
1 1 1 -1  14 14 o 237.5578 2.483866  564.4995       11.79168  577.7373       17.09263  552.4781       16.28834  5.302231       4.967732  
1 1 1 -1  14 15 f 182.1602 1.919007  331.9473       6.988762  337.0824       10.04791  327.1349       9.727098  2.725647       3.838014  
1 1 1 -1  14 16 o 135.7233 1.453134  183.4335       3.929323  193.7578       5.874252  175.0735       5.285987  6.876312       2.906268  
1 1 1 -1  14 17 o 83.87805 0.9515116 70.19357       1.593357  67.59131       2.175662  73.20379       2.339996  -3.344376      1.903023  
1 1 1 -1  14 18 o 173.4092 1.831127  300.5272       6.343556  309.0137       9.237134  292.9524       8.726880  4.623749       3.662253  
1 1 1 -1  14 19 o 86.14951 0.9761428 74.04050       1.678635  77.22404       2.468645  71.30252       2.289377  3.435341       1.952286  
1 1 1 -1  14 20 o 81.20190 0.9346845 65.82233       1.515703  68.22752       2.217925  63.71480       2.076149  2.777534       1.869369  
1 1 1 -1  14 21 f 177.6730 1.876132  315.6249       6.660780  323.6187       9.668489  308.4040       9.189301  4.273407       3.752265  
1 1 1 -1  14 22 o 141.3226 1.511680  199.3235       4.263531  192.3495       5.805703  207.4874       6.281447  -5.348785      3.023361  
1 1 1 -1  14 23 o 103.1076 1.138246  106.3331       2.346920  105.2180       3.286488  107.4935       3.352592  -1.102692      2.276492  
1 1 1 -1  14 24 o 61.04689 0.7754145 37.26569       0.9466130 36.72992       1.325917  37.82265       1.351887  -0.8947792     1.550829  
1 1 1 -1  14 25 o 197.4555 2.078204  389.8253       8.195857  401.9964       11.97115  379.0872       11.24435  5.783020       4.156407  
1 1 1 -1  14 26 o 114.4733 1.248882  131.1082       2.858996  131.9321       4.076582  130.3108       4.010685  0.7070389      2.497764  
1 1 1 -1  14 27 o 331.9601 3.467120  1107.498       23.01312  1121.473       32.99056  1094.252       32.11791  4.052765       6.934240  
1 1 1 -1  14 28 o 71.11217 0.8529614 50.32932       1.208536  53.45306       1.806736  47.79989       1.625803  3.972229       1.705923  
1 1 1 -1  14 29 o 49.49927 0.7062994 23.08240       0.6755804 30.41491       1.152092  19.23971       0.8340235 11.28368       1.412599  
1 1 1 -1  14 30 o 55.95187 0.7405695 31.17393       0.8261467 33.08896       1.228842  29.59449       1.115990  3.120815       1.481139  
1 1 1 -1  14 31 f 20.23122 0.7818567 3.946833       0.3038017 5.887560       0.4774727 2.626711       0.3937978 8.057247       1.563713  
1 1 1 -1  14 32 o 41.78036 0.6616058 16.78749       0.5411204 21.01511       0.8823832 14.23927       0.6850582 8.104740       1.323212  
1 1 1 -1  14 33 o 114.5358 1.254758  131.2881       2.872490  133.9591       4.151220  128.8344       3.978886  2.229752       2.509516  
1 1 1 -1  14 34 o 59.38208 0.7689947 34.78689       0.9059389 31.45150       1.192400  39.34098       1.393317  -6.636787      1.537989  
1 1 1 -1  14 35 o 121.0637 1.321287  146.8875       3.199124  147.2234       4.541971  146.5567       4.506724  0.2732620      2.642575  
1 1 1 -1  14 36 f 33.52319 0.6597498 11.12565       0.4385447 9.265837       0.5903987 13.41482       0.6550137 -6.186190      1.319500  
1 1 1 -1  14 37 o 56.21606 0.8116745 31.46134       0.9001079 32.65071       1.404636  30.63263       1.172477  1.785000       1.623349  
1 1 1 -1  14 38 o 69.54021 0.8536992 48.22252       1.183531  50.71317       1.760447  46.16841       1.598745  3.260010       1.707398  
1 1 1 -1  14 39 o 35.43277 1.019311  12.38421       0.7147921 13.91167       1.113166  11.31252       0.9324193 3.655910       2.038622  
1 1 1 -1  14 40 o 52.90202 1.086337  27.98543       1.145077  28.78701       1.704542  27.32617       1.545834  1.368614       2.172674  
1 1 1 -1  14 41 o 73.29701 0.8942075 53.68412       1.308097  55.77988       1.926150  51.89012       1.782095  2.643578       1.788415  
1 1 1 -1  14 42 o 65.77069 0.8362499 43.32289       1.099893  42.44827       1.544896  44.22191       1.566291  -1.346832      1.672500  
1 1 1 -1  14 43 o 22.14104 0.7938380 4.899380       0.3489499 5.001669       0.5288333 4.820499       0.4644004 0.4042168      1.587676  
1 1 1 -1  14 44 o 42.49467 0.7167775 17.97051       0.6064798 19.27513       0.9114256 16.93382       0.8124635 2.747383       1.433555  
1 1 1 -1  14 45 o 43.37440 0.7224677 18.84325       0.6260058 17.64676       0.8777332 20.08193       0.8930782 -2.805901      1.444935  
1 1 1 -1  14 46 o 29.05265 0.7254327 8.311176       0.4178666 9.849067       0.6401365 7.169262       0.5516027 4.604040       1.450865  
1 1 1 -1  14 47 o 32.94864 0.7334123 10.87812       0.4820298 10.88078       0.7078184 10.87582       0.6582623 0.2643585E-02  1.466825  
1 1 1 -1  14 48 o 50.85190 0.7664363 25.89748       0.7784448 26.32058       1.134505  25.52105       1.070091  0.7792244      1.532873  
1 1 1 -1  14 49 o 31.82673 0.7566917 10.13563       0.4806214 10.41253       0.7070059 9.897724       0.6553339 0.8030262      1.513383  
1 1 1 -1  14 50 o 41.66274 0.7538486 17.41411       0.6274717 17.15448       0.9047369 17.65472       0.8709834 -0.6045189     1.507697  
1 1 1 -1  14 51 o 22.12776 0.9432449 4.901211       0.4162410 4.708870       0.5636531 5.131910       0.6173060 -0.9469833     1.886490  
1 1 1 -1  14 52 f 22.19385 1.107879  4.954179       0.4910753 5.323439       0.7033613 4.602988       0.6859372 1.619583       2.215758  
1 1 1 -1  14 53 o 6.396453 1.742068  -0.2274310     0.4000944 0.7601321      0.5773820 -1.139663      0.5549238 4.737827       3.484137  
1 1 1 -1  14 54 o 60.11279 1.162336  36.13991       1.390701  33.51074       1.858560  39.48484       2.096336  -4.908871      2.324671  
1 1 1 -1  14 55 o 28.24326 1.089095  8.006589       0.6139827 7.394944       0.8412545 8.703750       0.8981398 -2.303312      2.178189  
1 1 1 -1  14 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  14 57 o 26.29708 1.645620  6.980270       0.8654997 6.980270       0.8654997 ?              ?         ?              ?         
1 1 1 -1  15 1  o 53.20756 0.9808080 27.72008       1.031045  32.25726       1.619636  24.62857       1.336932  7.167355       1.961616  
1 1 1 -1  15 2  o 89.01966 1.411850  79.25612       2.513398  78.43377       3.524220  80.10733       3.585536  -0.9395447     2.823700  
1 1 1 -1  15 3  o 87.38718 1.387984  74.98556       2.392142  84.66343       3.782850  68.53672       3.087947  9.222054       2.775968  
1 1 1 -1  15 4  o 305.8778 3.894506  940.2903       22.56394  945.6992       27.80771  929.8647       38.60690  2.811035       7.789012  
1 1 1 -1  15 5  o 313.1112 3.259833  981.5278       20.40528  966.4786       28.37144  997.6545       29.36926  -4.960541      6.519666  
1 1 1 -1  15 6  o 344.8721 4.433477  1177.734       28.24671  1153.773       33.80742  1233.140       51.40785  -11.07227      8.866954  
1 1 1 -1  15 7  o 192.2643 2.859493  369.4326       10.97708  358.4388       15.01247  382.0638       16.09151  -6.125793      5.718985  
1 1 1 -1  15 8  o 151.8980 2.281610  230.1302       6.911271  241.0856       10.25384  221.0098       9.355801  6.595734       4.563221  
1 1 1 -1  15 9  o 332.8141 4.909270  1112.464       32.67535  1119.175       46.52769  1105.934       45.89857  1.969299       9.818541  
1 1 1 -1  15 10 o 282.5886 4.173031  801.2695       23.58489  802.5736       33.42034  799.9758       33.28819  0.4558105      8.346063  
1 1 1 -1  15 11 o 219.5571 2.811647  484.4232       11.70607  477.8546       19.97127  487.8611       14.44826  -2.391434      5.623295  
1 1 1 -1  15 12 o 73.90155 0.8654032 54.03997       1.269302  59.23824       1.946726  50.19576       1.674093  6.116081       1.730806  
1 1 1 -1  15 13 f 138.8050 1.483785  192.6169       4.116416  196.6363       5.952252  188.9322       5.698985  2.772110       2.967571  
1 1 1 -1  15 14 o 280.7355 2.928188  789.5291       16.43883  782.4792       23.02845  796.8541       23.47399  -2.549774      5.856377  
1 1 1 -1  15 15 o 262.0960 2.736841  687.3279       14.33272  704.4470       20.81756  671.8998       19.76262  6.186493       5.473682  
1 1 1 -1  15 16 o 191.2440 2.012354  365.9452       7.694714  371.0861       11.04482  361.0968       10.72612  2.606583       4.024707  
1 1 1 -1  15 17 o 163.6600 1.733288  267.9664       5.672103  271.1986       8.126016  264.8953       7.921041  1.922745       3.466575  
1 1 1 -1  15 18 o 70.51274 0.8390886 49.72928       1.183328  49.71379       1.672700  49.74481       1.674259  -0.2198029E-01 1.678177  
1 1 1 -1  15 19 f 162.4634 1.722644  264.0234       5.595097  268.3399       8.050138  259.9896       7.781996  2.565643       3.445288  
1 1 1 -1  15 20 o 223.0878 2.338248  498.2718       10.42985  491.9144       14.54809  504.9949       14.96064  -2.922272      4.676496  
1 1 1 -1  15 21 o 142.6539 1.525302  203.0374       4.341088  211.8760       6.414930  195.5702       5.896264  5.706879       3.050603  
1 1 1 -1  15 22 o 194.4791 2.047259  378.6236       7.961345  374.4032       11.12469  383.0542       11.39838  -2.217957      4.094519  
1 1 1 -1  15 23 o 59.62666 0.7686511 35.39526       0.9142220 33.32826       1.239098  37.86481       1.354392  -3.803089      1.537302  
1 1 1 -1  15 24 o 226.7068 2.377684  514.9424       10.77913  519.8986       15.40439  510.1874       15.08849  2.132004       4.755369  
1 1 1 -1  15 25 o 90.08658 1.023020  81.18353       1.843052  80.57679       2.586319  81.80953       2.627097  -0.6835709     2.046041  
1 1 1 -1  15 26 o 301.8770 3.154883  915.4133       19.04688  910.5835       26.78503  920.3537       27.09026  -1.602631      6.309766  
1 1 1 -1  15 27 o 248.7174 2.607795  619.6935       12.95231  602.0790       17.74152  639.7960       18.95311  -7.524139      5.215590  
1 1 1 -1  15 28 o 150.4263 1.606562  226.3648       4.828307  232.3714       7.023260  220.9819       6.648644  3.772644       3.213123  
1 1 1 -1  15 29 o 148.4217 1.587930  220.0417       4.702791  211.9524       6.394885  229.5689       6.940011  -5.913544      3.175860  
1 1 1 -1  15 30 o 79.34654 0.9254131 62.51976       1.461057  58.48081       1.949714  67.69279       2.206529  -5.798073      1.850826  
1 1 1 -1  15 31 o 134.3894 1.448749  180.3126       3.882872  172.9247       5.258083  189.1733       5.758377  -6.021530      2.897497  
1 1 1 -1  15 32 o 37.17760 0.6508133 13.76822       0.4826629 14.64907       0.7147337 13.02975       0.6544237 2.176449       1.301627  
1 1 1 -1  15 33 o 12.22553 1.137983  1.574201       0.2587229 1.096768       0.3756711 2.004956       0.3568340 -3.854855      2.275965  
1 1 1 -1  15 34 o 53.11557 0.7275908 28.23302       0.7728360 28.15078       1.100599  28.31300       1.085469  -0.1532097     1.455182  
1 1 1 -1  15 35 o 81.48399 0.9524021 66.40240       1.550930  64.57748       2.142892  68.40992       2.247541  -2.346764      1.904804  
1 1 1 -1  15 36 o 13.37258 1.873479  2.435519       0.3611152 0.9495591      0.8893660 2.728866       0.3951551 -6.275573      3.746958  
1 1 1 -1  15 37 o 56.30380 1.106835  31.04511       1.231864  26.89720       1.602669  37.03375       1.925720  -8.981457      2.213670  
1 1 1 -1  15 38 o 57.37170 0.9479031 32.82534       1.023589  32.54676       1.248887  33.39542       1.786571  -0.7068481     1.895806  
1 1 1 -1  15 39 o 98.33285 1.114698  96.87229       2.191340  94.93228       3.046544  98.95198       3.154311  -2.035507      2.229396  
1 1 1 -1  15 40 o 65.74139 0.8347389 43.28444       1.097237  43.30200       1.570358  43.26769       1.533745  0.2373505E-01  1.669478  
1 1 1 -1  15 41 o 44.09548 0.7023869 19.45380       0.6187221 19.73330       0.8996303 19.20293       0.8522974 0.5985680      1.404774  
1 1 1 -1  15 42 o 23.53598 1.275920  5.684666       0.5778364 3.885209       0.8109698 7.540355       0.8235435 -7.763536      2.551840  
1 1 1 -1  15 43 o 52.62436 0.7589111 27.70005       0.7975848 28.45396       1.165552  27.03614       1.093777  1.341412       1.517822  
1 1 1 -1  15 44 o 19.61700 0.8755000 3.894262       0.3402250 3.447626       0.4962183 4.290489       0.4673775 -2.151108      1.751000  
1 1 1 -1  15 45 o 56.57540 0.7886727 32.07998       0.8922895 31.81544       1.268044  32.33943       1.255821  -0.4642754     1.577345  
1 1 1 -1  15 46 o 38.74250 0.7224247 14.90447       0.5563219 16.23222       0.8458450 13.89222       0.7385425 3.009575       1.444849  
1 1 1 -1  15 47 o 36.70183 0.7323415 13.49245       0.5368289 13.61200       0.7814382 13.38561       0.7387413 0.3040733      1.464683  
1 1 1 -1  15 48 o 37.43831 0.7486677 14.04309       0.5596475 14.14588       0.8166519 13.95206       0.7684662 0.2535591      1.497335  
1 1 1 -1  15 49 o 60.26864 0.8337310 36.44286       1.004728  36.18065       1.433228  36.69623       1.408886  -0.4309959     1.667462  
1 1 1 -1  15 50 o 23.84420 0.8401674 5.681990       0.3984712 5.920657       0.6005352 5.494262       0.5326069 0.8840847      1.680335  
1 1 1 -1  15 51 o 28.17196 0.9266906 7.728559       0.5132390 10.04318       0.8041719 6.137796       0.6666709 6.908588       1.853381  
1 1 1 -1  15 52 o 46.39383 1.027796  21.64985       0.9536602 21.53329       1.346125  21.76731       1.351248  -0.2511673     2.055592  
1 1 1 -1  15 53 o 14.72367 1.546152  2.179342       0.4531056 2.491768       0.6754425 1.923709       0.6109731 1.908173       3.092304  
1 1 1 -1  15 54 o 33.68189 1.484484  0.000000       0.000000  ?              ?         11.42261       1.000005  ?              ?         
1 1 1 -1  15 55 o 43.67010 2.237282  19.38711       1.954047  19.38711       1.954047  ?              ?         ?              ?         
1 1 1 -1  15 56 o 26.45218 1.124569  7.055308       0.5937336 6.457336       0.8278440 7.688700       0.8520097 -2.320745      2.249139  
1 1 1 -1  15 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  16 1  o 109.7776 1.202368  120.5264       2.639497  119.4924       3.696362  121.6022       3.770363  -0.9603577     2.404736  
1 1 1 -1  16 2  o 128.9156 1.385316  164.2823       3.537290  180.0457       5.478615  153.0134       4.632204  10.47639       2.770633  
1 1 1 -1  16 3  o 27.80709 0.6183670 7.739845       0.3435885 7.979314       0.4810251 7.490400       0.4909416 0.8791618      1.236734  
1 1 1 -1  16 4  o 73.23888 0.8691357 52.13958       1.248110  61.28346       2.022946  46.51954       1.585946  10.07658       1.738271  
1 1 1 -1  16 5  o 140.4038 1.499734  196.3657       4.196307  187.7160       5.654698  206.9674       6.260361  -6.849075      2.999467  
1 1 1 -1  16 6  o 92.58936 1.031844  85.56297       1.907631  88.84019       2.796122  82.70934       2.609167  3.309319       2.063687  
1 1 1 -1  16 7  o 50.78116 0.6789910 25.21547       0.6806831 29.48646       1.073180  22.34081       0.8804438 7.034706       1.357982  
1 1 1 -1  16 8  o 186.7659 1.966567  348.9657       7.343054  343.7660       10.21986  354.5149       10.55767  -2.872330      3.933133  
1 1 1 -1  16 9  o 210.2001 2.205917  440.6007       9.242606  462.5924       13.76118  422.5269       12.47526  9.507416       4.411834  
1 1 1 -1  16 10 o 225.1425 2.889935  508.2878       12.28074  509.1780       15.06382  506.5237       21.20614  0.7296143      5.779869  
1 1 1 -1  16 11 o 113.6250 1.523605  127.4053       3.204352  124.6139       3.839223  133.8146       5.817602  -4.025391      3.047211  
1 1 1 -1  16 12 o 180.5912 2.693026  326.6435       9.726513  325.4581       13.70022  327.8481       13.81119  -0.6593781     5.386051  
1 1 1 -1  16 13 o 339.8402 5.017750  1160.695       34.08466  1140.124       47.24738  1183.019       49.21903  -6.232178      10.03550  
1 1 1 -1  16 14 o 157.8220 2.368031  249.3387       7.472860  252.5921       10.70620  246.2477       10.43544  2.004593       4.736062  
1 1 1 -1  16 15 o 142.3849 1.852741  204.1263       5.029062  198.8366       8.457085  207.0201       6.255210  -2.909241      3.705482  
1 1 1 -1  16 16 o 88.41217 1.000462  77.62859       1.759760  73.07024       2.347378  83.47758       2.659006  -5.882851      2.000925  
1 1 1 -1  16 17 o 252.2888 2.638165  637.6729       13.31143  636.0216       18.77048  639.3438       18.88042  -0.6556702     5.276331  
1 1 1 -1  16 18 o 104.3723 1.150910  108.3275       2.391206  115.4459       3.597639  102.6940       3.200452  6.104256       2.301819  
1 1 1 -1  16 19 o 307.3994 3.206898  947.8376       19.71552  944.0693       27.76888  951.6678       27.99641  -1.228180      6.413796  
1 1 1 -1  16 20 o 81.07116 0.9353746 65.68748       1.515646  67.22063       2.191856  64.28268       2.098111  1.810974       1.870749  
1 1 1 -1  16 21 o 73.91519 0.8761497 54.44291       1.291835  57.41066       1.912901  51.95458       1.751599  3.689110       1.752299  
1 1 1 -1  16 22 f 90.18719 1.021123  81.34412       1.841412  82.43688       2.638874  80.30704       2.570761  1.179878       2.042247  
1 1 1 -1  16 23 o 81.63101 0.9470707 66.19935       1.538370  71.11696       2.321594  62.34983       2.054056  5.366211       1.894141  
1 1 1 -1  16 24 o 95.00504 1.071650  90.22328       2.034838  92.45433       2.944658  88.18422       2.815102  2.245071       2.143299  
1 1 1 -1  16 25 o 86.67311 0.9919630 74.93000       1.715768  71.88768       2.334565  78.50342       2.530142  -3.813065      1.983926  
1 1 1 -1  16 26 f 92.49060 1.046093  85.59689       1.935014  86.02000       2.749878  85.18189       2.723360  0.4524994      2.092187  
1 1 1 -1  16 27 o 121.6020 1.321796  147.4307       3.203712  155.1301       4.772911  141.1171       4.322036  5.747940       2.643592  
1 1 1 -1  16 28 o 103.3644 1.147335  106.8144       2.369776  103.9317       3.268908  110.0075       3.440403  -2.933769      2.294669  
1 1 1 -1  16 29 f 101.0223 1.125642  102.1110       2.273173  103.9194       3.276894  100.4335       3.156017  1.721077       2.251283  
1 1 1 -1  16 30 o 52.03751 0.7155750 26.86916       0.7406427 29.18513       1.121410  25.07732       0.9863869 3.943707       1.431150  
1 1 1 -1  16 31 o 126.8484 1.376431  161.1308       3.490088  164.0881       5.035087  158.3959       4.842032  2.233711       2.752861  
1 1 1 -1  16 32 o 68.35900 0.8384401 45.93158       1.131857  52.00574       1.780608  41.81317       1.466190  7.443558       1.676880  
1 1 1 -1  16 33 o 74.88568 0.8977415 56.13988       1.344494  55.90295       1.908415  56.37337       1.894464  -0.3146744     1.795483  
1 1 1 -1  16 34 f 57.87013 1.108811  33.33336       1.276557  35.56266       1.927900  31.59281       1.703502  3.417400       2.217621  
1 1 1 -1  16 35 o 55.47329 1.105171  30.84611       1.225070  30.40712       1.762607  31.25634       1.703906  -0.7689323     2.210341  
1 1 1 -1  16 36 o 92.04826 1.052550  84.48385       1.931447  80.18980       2.606993  89.70867       2.875689  -5.154236      2.105101  
1 1 1 -1  16 37 o 58.91705 0.7786272 34.57679       0.9150822 32.24508       1.241208  37.35333       1.354436  -4.329182      1.557254  
1 1 1 -1  16 38 o 87.62376 1.015141  76.93313       1.778888  77.16979       2.532216  76.70253       2.499557  0.2643127      2.030282  
1 1 1 -1  16 39 o 84.15894 0.9861642 70.85820       1.658153  68.39014       2.281962  73.61906       2.413531  -3.096367      1.972328  
1 1 1 -1  16 40 o 52.55718 0.7493628 27.58972       0.7860052 28.69208       1.157825  26.64743       1.070466  1.939537       1.498726  
1 1 1 -1  16 41 o 27.10452 0.7542285 7.414067       0.4031290 5.950730       0.5666125 8.914105       0.5736741 -5.466061      1.508457  
1 1 1 -1  16 42 o 52.86287 0.7589633 27.99603       0.8020392 27.87692       1.150798  28.10852       1.118405  -0.2216301     1.517927  
1 1 1 -1  16 43 o 28.58803 0.7348332 8.073722       0.4169925 9.158714       0.6391094 7.269463       0.5502495 3.296907       1.469666  
1 1 1 -1  16 44 o 51.09251 0.7527983 26.09567       0.7675431 27.01779       1.130847  25.30802       1.045150  1.665279       1.505597  
1 1 1 -1  16 45 o 32.32404 0.7354906 10.47392       0.4727439 9.040440       0.6579654 12.00361       0.6796851 -4.581417      1.470981  
1 1 1 -1  16 46 f 49.35247 0.7565365 24.41223       0.7460083 24.38771       1.078844  24.43469       1.032699  -0.5242920E-01 1.513073  
1 1 1 -1  16 47 o 34.49524 0.7392846 11.87123       0.5085983 12.65185       0.7547431 11.22189       0.6883645 2.065517       1.478569  
1 1 1 -1  16 48 o 70.81725 0.9062948 50.22584       1.280977  51.97681       1.884684  48.72246       1.746364  2.277740       1.812590  
1 1 1 -1  16 49 o 47.48282 0.7739764 22.49488       0.7322229 23.93199       1.094910  21.33216       0.9848508 2.722672       1.547953  
1 1 1 -1  16 50 o 29.40271 0.9748563 8.636554       0.5712333 8.115432       0.7692142 9.277308       0.8529512 -1.961241      1.949713  
1 1 1 -1  16 51 o 13.22637 1.670090  1.827734       0.4272696 1.611718       0.6294162 2.012353       0.5818805 -1.754326      3.340180  
1 1 1 -1  16 52 o 39.64034 1.256038  14.71245       0.8981524 18.55785       1.768843  13.37661       1.042548  6.348480       2.512076  
1 1 1 -1  16 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  16 54 o 50.03259 1.065413  25.16027       1.064873  26.56864       1.550567  23.90307       1.464990  2.642776       2.130825  
1 1 1 -1  16 55 o 40.54383 1.047349  16.51793       0.8479193 17.46503       1.242493  15.69237       1.160028  2.164295       2.094698  
1 1 1 -1  16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  17 1  o 180.1085 1.902426  324.1415       6.843990  334.3009       9.988894  315.1523       9.396016  5.306854       3.804851  
1 1 1 -1  17 2  o 308.6743 3.216601  955.0172       19.85760  953.7648       28.04638  956.2761       28.11953  -0.4048767     6.433202  
1 1 1 -1  17 3  o 270.5248 2.823912  732.4573       15.26629  749.3503       22.13053  717.1201       21.08684  5.933624       5.647825  
1 1 1 -1  17 4  o 54.83663 0.7116497 30.03504       0.7799125 31.08935       1.129842  29.07542       1.077915  1.836010       1.423299  
1 1 1 -1  17 5  o 251.7707 2.632174  634.7054       13.25148  642.1049       18.96770  627.6503       18.52111  2.861404       5.264349  
1 1 1 -1  17 6  o 122.3149 1.321207  149.3259       3.226109  155.0360       4.738555  144.3924       4.404548  4.347488       2.642414  
1 1 1 -1  17 7  o 177.4968 1.874202  314.2703       6.635013  302.3452       8.992992  328.5166       9.829334  -7.360123      3.748405  
1 1 1 -1  17 8  o 194.6149 2.047385  377.9567       7.948438  364.1456       10.78684  394.3648       11.75733  -7.748154      4.094771  
1 1 1 -1  17 9  o 162.0496 1.717543  262.7721       5.566423  261.8365       7.841393  263.7226       7.903193  -0.5810699     3.435087  
1 1 1 -1  17 10 o 85.46142 0.9738904 71.69582       1.641316  81.04479       2.596785  65.47627       2.118040  9.104568       1.947781  
1 1 1 -1  17 11 o 70.19623 0.8375008 49.27924       1.175724  49.69947       1.673434  48.86960       1.652219  0.5909500      1.675002  
1 1 1 -1  17 12 o 134.6344 1.444998  180.4846       3.875463  172.1631       5.209426  190.7976       5.799379  -6.912720      2.889996  
1 1 1 -1  17 13 f 152.3815 1.622284  232.2689       4.942519  235.7690       7.099080  228.9763       6.885373  2.225677       3.244568  
1 1 1 -1  17 14 o 192.4630 2.027089  370.0351       7.788657  358.4351       10.63826  383.4363       11.43443  -6.479691      4.054178  
1 1 1 -1  17 15 o 217.3189 2.791667  474.7818       11.49383  477.9388       14.17123  468.7125       19.64919  2.273468       5.583333  
1 1 1 -1  17 16 f 119.0952 1.824414  141.9383       4.344564  140.2883       6.066204  143.6759       6.225163  -1.419189      3.648829  
1 1 1 -1  17 17 o 95.87104 1.508819  91.30793       2.877216  98.18485       4.353086  85.97292       3.834136  6.360352       3.017638  
1 1 1 -1  17 18 o 258.0898 3.824204  668.8519       19.72935  657.4741       27.37580  681.1477       28.45873  -4.538895      7.648407  
1 1 1 -1  17 19 o 158.5208 2.382094  251.7670       7.551835  250.5337       10.61599  253.0305       10.74500  -0.7837830     4.764188  
1 1 1 -1  17 20 o 159.1062 2.065739  254.5104       6.239474  250.5196       10.61447  256.6174       7.712704  -1.996033      4.131478  
1 1 1 -1  17 21 o 123.0199 1.335782  151.2859       3.283741  147.6085       4.532038  155.3503       4.764501  -3.141861      2.671564  
1 1 1 -1  17 22 o 200.5757 2.112563  402.5396       8.464031  414.3260       12.34379  392.0804       11.62813  5.520996       4.225127  
1 1 1 -1  17 23 f 129.4904 1.399513  167.6906       3.621762  171.5635       5.245000  164.1609       5.007164  2.852478       2.799025  
1 1 1 -1  17 24 o 177.7530 1.882504  316.0404       6.682191  306.8245       9.151927  326.5632       9.779336  -5.527863      3.765009  
1 1 1 -1  17 25 o 89.42577 1.018923  79.98731       1.821721  81.32967       2.618502  78.72813       2.536080  1.452652       2.037847  
1 1 1 -1  17 26 o 83.85143 0.9697699 69.85095       1.617624  75.12294       2.445700  65.75101       2.156776  5.581184       1.939540  
1 1 1 -1  17 27 o 213.1202 2.247149  456.1342       9.578027  454.2504       13.48956  458.0494       13.60189  -0.8837128     4.494297  
1 1 1 -1  17 28 o 107.9343 1.192282  116.6423       2.573473  117.3727       3.671600  115.9369       3.608111  0.6626205      2.384565  
1 1 1 -1  17 29 f 57.38785 0.7549762 32.73901       0.8634762 30.41190       1.163243  35.59489       1.288641  -4.512409      1.509952  
1 1 1 -1  17 30 o 13.75184 0.9808943 1.894272       0.2688355 1.881243       0.3964530 1.905363       0.3657787 -0.8895683E-01 1.961789  
1 1 1 -1  17 31 o 36.33805 0.9176134 13.37142       0.6495611 12.50357       1.025114  13.95363       0.8396363 -2.002831      1.835227  
1 1 1 -1  17 32 o 44.06837 1.011370  19.39821       0.8888431 20.06545       1.316134  18.83870       1.205206  1.386482       2.022740  
1 1 1 -1  17 33 o 28.54448 0.9244671 8.861587       0.4838849 11.50429       0.6419395 5.384186       0.7363718 10.72451       1.848934  
1 1 1 -1  17 34 o 53.36515 0.7386324 28.47307       0.7873315 29.05528       1.147481  27.95515       1.082286  1.028114       1.477265  
1 1 1 -1  17 35 o 37.81277 0.6861659 14.05766       0.5133514 11.59193       0.6805429 17.31299       0.7819523 -7.560787      1.372332  
1 1 1 -1  17 36 o 19.29014 0.8258601 3.677051       0.3161556 4.378912       0.4767019 3.125918       0.4224253 3.244638       1.651720  
1 1 1 -1  17 37 o 65.98869 0.8329677 43.43883       1.096200  45.73896       1.626251  41.52345       1.484016  3.185707       1.665935  
1 1 1 -1  17 38 o 31.23261 0.6993303 9.758862       0.4355782 8.778133       0.6061858 10.80578       0.6263081 -3.244904      1.398661  
1 1 1 -1  17 39 o 32.97788 0.6970169 10.53643       0.4520837 13.09381       0.7219208 8.886513       0.5798593 6.370266       1.394034  
1 1 1 -1  17 40 o 43.48862 0.7100213 18.85712       0.6161387 17.32356       0.8417211 20.62737       0.9043492 -3.794048      1.420043  
1 1 1 -1  17 41 o 37.21892 0.7082513 13.76971       0.5250653 15.06848       0.7868963 12.72736       0.7049522 3.138950       1.416503  
1 1 1 -1  17 42 o 49.39938 0.7451679 24.39420       0.7352511 22.76627       1.015641  26.18681       1.065774  -3.457878      1.490336  
1 1 1 -1  17 43 o 51.44843 0.7546417 26.47542       0.7751537 27.27912       1.136444  25.77620       1.060009  1.453457       1.509283  
1 1 1 -1  17 44 o 31.58251 0.7307066 9.969790       0.4602214 10.30823       0.6815444 9.686119       0.6239635 0.9792671      1.461413  
1 1 1 -1  17 45 o 75.22198 0.9307457 56.76433       1.399780  57.20330       2.009052  56.35020       1.951382  0.5596008      1.861491  
1 1 1 -1  17 46 o 20.49117 0.9022234 4.147636       0.3668708 4.849215       0.5604364 3.621557       0.4853037 2.985657       1.804447  
1 1 1 -1  17 47 o 25.65233 0.8092157 6.611881       0.4143829 6.317698       0.5954751 6.888106       0.5770128 -1.114187      1.618431  
1 1 1 -1  17 48 o 12.64143 1.366053  1.590680       0.3325778 2.037563       0.5173588 1.275951       0.4341733 3.149098       2.732106  
1 1 1 -1  17 49 o 25.70194 0.9428809 6.484275       0.4778700 5.775885       0.6159951 7.554945       0.7573017 -3.437191      1.885762  
1 1 1 -1  17 50 o 51.29021 1.077337  26.44121       1.103871  27.12300       1.607386  25.83264       1.518613  1.239414       2.154674  
1 1 1 -1  17 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  17 52 o 13.91553 1.674052  2.016661       0.4505720 1.859835       0.6690478 2.146820       0.6095149 -1.273021      3.348105  
1 1 1 -1  17 53 o 18.67391 1.306975  3.548972       0.4832826 3.334253       0.7231891 3.722238       0.6496411 -1.060747      2.613950  
1 1 1 -1  17 54 o 39.71717 1.036713  15.90292       0.8230248 15.61890       1.177499  16.17421       1.150825  -0.7060471     2.073426  
1 1 1 -1  17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  18 1  o 262.3003 2.739754  689.2704       14.37275  689.8403       20.34309  688.7024       20.30924  0.2161255      5.479508  
1 1 1 -1  18 2  o 76.88496 0.8982836 58.87366       1.377162  62.27271       2.046046  56.05824       1.862123  4.039986       1.796567  
1 1 1 -1  18 3  o 161.6615 1.714267  261.4648       5.541378  258.4750       7.739213  264.6101       7.937953  -1.894562      3.428535  
1 1 1 -1  18 4  o 290.3255 3.028795  844.7609       17.58586  849.4725       25.02009  840.1605       24.72288  1.595795       6.057590  
1 1 1 -1  18 5  o 96.69650 1.081765  93.32637       2.088469  96.85056       3.063575  90.26663       2.854571  3.402420       2.163529  
1 1 1 -1  18 6  o 391.6471 4.079373  1539.789       31.94307  1519.411       44.50188  1561.448       45.87820  -5.316345      8.158747  
1 1 1 -1  18 7  o 183.4093 1.935441  336.2924       7.092011  328.1324       9.763853  345.4057       10.31834  -4.699188      3.870883  
1 1 1 -1  18 8  o 66.80490 0.8096855 44.63487       1.081782  44.44294       1.522369  44.83063       1.537484  -0.2900620     1.619371  
1 1 1 -1  18 9  f 200.1854 2.105206  399.3396       8.395152  381.5395       11.28674  421.3829       12.56016  -9.926483      4.210411  
1 1 1 -1  18 10 o 149.6721 1.595739  224.1669       4.776652  223.2738       6.729093  225.0741       6.781628  -0.6006012     3.191478  
1 1 1 -1  18 11 o 261.8122 2.736903  686.8263       14.32958  692.3083       20.44291  681.5309       20.09182  2.048645       5.473805  
1 1 1 -1  18 12 o 97.42193 1.085464  94.79487       2.112384  92.11330       2.902218  97.81593       3.080468  -2.924759      2.170929  
1 1 1 -1  18 13 o 297.6407 3.107233  887.7271       18.48270  869.8571       25.55044  907.3422       26.76909  -6.256317      6.214465  
1 1 1 -1  18 14 o 300.7648 3.139844  906.7646       18.87560  924.5198       27.26768  890.4286       26.15529  5.628662       6.279687  
1 1 1 -1  18 15 f 279.4885 2.919273  782.8268       16.30942  769.3997       22.62922  797.3405       23.52698  -4.968353      5.838545  
1 1 1 -1  18 16 f 122.0300 1.323690  149.0006       3.230561  149.4504       4.581980  148.5559       4.555541  0.3660736      2.647381  
1 1 1 -1  18 17 o 180.8792 1.911412  327.4855       6.912341  322.8123       9.626184  332.4604       9.932044  -2.659302      3.822824  
1 1 1 -1  18 18 o 124.9017 1.356476  154.6949       3.363775  167.5726       5.144708  145.0790       4.445677  8.990685       2.712951  
1 1 1 -1  18 19 o 103.2717 1.146798  106.7127       2.368630  106.6320       3.346156  106.7938       3.353354  -0.7821655E-01 2.293596  
1 1 1 -1  18 20 o 38.74218 0.7877218 15.25546       0.5921292 16.12665       0.7635320 13.94091       0.9379058 2.823120       1.575444  
1 1 1 -1  18 21 o 98.02594 1.542568  96.17212       3.023321  97.70998       4.340641  94.72309       4.213439  1.519875       3.085136  
1 1 1 -1  18 22 o 96.64545 1.524122  92.86050       2.929294  87.60957       3.900527  99.65302       4.436289  -6.213341      3.048243  
1 1 1 -1  18 23 o 202.9089 3.031855  413.4402       12.28386  401.5322       16.81058  427.0834       17.99372  -6.212845      6.063709  
1 1 1 -1  18 24 o 52.75274 0.9982014 27.74845       1.050872  26.37315       1.429668  29.36482       1.549919  -2.832439      1.996403  
1 1 1 -1  18 25 o 108.0602 1.443889  118.4326       3.010527  111.2105       4.875285  122.8838       3.827436  -5.445862      2.887779  
1 1 1 -1  18 26 o 113.6573 1.249091  129.3044       2.838299  127.1718       3.949054  131.5833       4.082177  -1.935226      2.498182  
1 1 1 -1  18 27 o 145.0649 1.558030  210.5513       4.513316  217.6149       6.606663  204.3701       6.180239  4.542023       3.116060  
1 1 1 -1  18 28 o 53.27775 0.9318551 26.00986       0.8552527 33.25198       1.819719  23.95658       0.9689373 8.691864       1.863710  
1 1 1 -1  18 29 o 134.2889 2.067828  181.0212       5.546282  186.6235       8.098620  176.0729       7.611296  3.883331       4.135656  
1 1 1 -1  18 30 o 69.75137 1.046887  49.25694       1.399716  50.68154       1.759648  46.80249       2.309701  2.807190       2.093774  
1 1 1 -1  18 31 o 51.23928 0.7221271 26.27596       0.7399675 26.10519       1.050917  26.44388       1.042083  -0.3308220     1.444254  
1 1 1 -1  18 32 o 38.96479 0.8605290 14.88411       0.6609063 13.45920       0.8512746 17.04619       1.048601  -4.593697      1.721058  
1 1 1 -1  18 33 o 23.47879 0.7350311 5.494879       0.3442070 5.813165       0.5103406 5.229259       0.4662116 1.241625       1.470062  
1 1 1 -1  18 34 o 68.95645 0.8566433 47.56671       1.180327  48.66313       1.713573  46.57685       1.628169  1.507973       1.713287  
1 1 1 -1  18 35 o 19.14252 0.8481900 3.717877       0.3194329 2.984343       0.4558855 4.425363       0.4477178 -3.764402      1.696380  
1 1 1 -1  18 36 f 33.21024 0.6927282 10.76136       0.4542224 13.06946       0.7126704 9.182338       0.5894611 5.845936       1.385456  
1 1 1 -1  18 37 o 31.90157 0.7002504 10.05205       0.4437278 11.50405       0.6761163 8.953483       0.5881010 3.992418       1.400501  
1 1 1 -1  18 38 o 37.88239 0.7000507 14.16835       0.5263328 16.06799       0.8074268 12.76470       0.6940634 4.352711       1.400101  
1 1 1 -1  18 39 o 27.48747 0.7426657 7.479948       0.4058460 8.453443       0.6154685 6.730986       0.5398442 3.127403       1.485331  
1 1 1 -1  18 40 o 113.5110 1.369215  129.4984       3.077109  129.0221       4.069885  130.1341       4.701513  -0.3976669     2.738431  
1 1 1 -1  18 41 o 38.58332 0.7175810 14.52991       0.5460965 17.39208       0.8635613 12.62258       0.7049494 6.167542       1.435162  
1 1 1 -1  18 42 o 79.27596 0.9579822 63.00761       1.517905  64.23492       2.194325  61.88146       2.101937  1.473175       1.915964  
1 1 1 -1  18 43 o 100.3194 1.147985  101.1479       2.303263  100.6884       3.261730  101.6049       3.252901  -0.4581451     2.295971  
1 1 1 -1  18 44 o 36.53517 0.7400012 13.36475       0.5400512 13.61542       0.7864860 13.14111       0.7428741 0.6445847      1.480002  
1 1 1 -1  18 45 o 50.94455 0.7747210 26.01094       0.7887985 26.20115       1.138962  25.83563       1.093486  0.3535805      1.549442  
1 1 1 -1  18 46 o 48.84322 0.7685196 23.92989       0.7503940 23.55728       1.072348  24.28741       1.050427  -0.7501411     1.537039  
1 1 1 -1  18 47 o 24.06458 0.8574494 5.748103       0.4101200 6.405494       0.6238846 5.247853       0.5442345 2.393257       1.714899  
1 1 1 -1  18 48 o 40.67593 0.9730272 16.38374       0.7849059 14.82930       1.031442  18.52234       1.209824  -4.508595      1.946054  
1 1 1 -1  18 49 o 11.13082 4.629105  0.4482725      1.701542  0.4482725      1.701542  ?              ?         ?              ?         
1 1 1 -1  18 50 o 55.74478 1.099615  31.27858       1.225583  31.77648       1.759693  30.80953       1.707937  0.8557167      2.199231  
1 1 1 -1  18 51 o 6.626887 1.850512  0.4972825E-01  0.3875645 0.6306443      0.6102897 -0.3428852     0.5017205 3.400044       3.701024  
1 1 1 -1  18 52 o 40.60805 1.005360  16.59859       0.8164405 16.32706       1.153737  16.87096       1.155508  -0.6692924     2.010721  
1 1 1 -1  18 53 o 56.77658 1.130804  32.52812       1.284049  32.72887       1.820559  32.32940       1.811316  0.3491592      2.261608  
1 1 1 -1  18 54 o 26.29326 1.676286  0.000000       0.000000  ?              ?         6.980773       0.8815008 ?              ?         
1 1 1 -1  19 1  o 148.8515 1.587818  221.3774       4.720644  215.4367       6.478456  228.1023       6.892787  -4.247910      3.175636  
1 1 1 -1  19 2  f 64.31088 0.7916787 41.36166       1.018205  41.75911       1.450098  40.97514       1.430031  0.6093597      1.583357  
1 1 1 -1  19 3  o 250.7216 2.623156  629.7454       13.15198  635.4766       18.77941  624.2285       18.42507  2.233826       5.246312  
1 1 1 -1  19 4  o 154.9293 1.647960  240.2149       5.106290  239.6206       7.201003  240.8159       7.241940  -0.3851013     3.295921  
1 1 1 -1  19 5  o 200.2793 2.106418  400.6827       8.420408  387.5659       11.48005  415.9570       12.38826  -7.068207      4.212836  
1 1 1 -1  19 6  f 113.2805 1.238501  127.9782       2.798862  123.0436       3.799101  133.8356       4.139097  -4.759010      2.477001  
1 1 1 -1  19 7  o 148.2537 1.581592  219.2243       4.676599  210.7117       6.337576  229.4011       6.929399  -6.293213      3.163185  
1 1 1 -1  19 8  o 88.46981 1.003463  77.26020       1.757798  71.45818       2.298126  85.44054       2.728785  -7.897659      2.006927  
1 1 1 -1  19 9  o 355.0305 3.701748  1265.715       26.28204  1275.479       37.48590  1256.276       36.85886  2.678741       7.403496  
1 1 1 -1  19 10 o 132.3020 1.425121  173.8225       3.747492  164.0084       4.977802  186.6617       5.693521  -8.549683      2.850242  
1 1 1 -1  19 11 o 201.6898 2.122169  407.3590       8.559802  404.8879       12.02115  409.9006       12.19142  -1.238464      4.244339  
1 1 1 -1  19 12 o 144.8730 1.550114  208.8387       4.469895  198.4301       5.980704  222.0103       6.727817  -8.124222      3.100228  
1 1 1 -1  19 13 o 180.0329 1.903109  324.3071       6.848196  318.2140       9.486915  330.9365       9.895633  -3.523392      3.806217  
1 1 1 -1  19 14 o 34.31131 0.6581377 11.73015       0.4505532 12.92046       0.6584342 10.68204       0.6178568 3.261555       1.316275  
1 1 1 -1  19 15 o 61.03476 0.7789378 36.84838       0.9442027 40.75278       1.443350  33.92757       1.248378  5.588966       1.557876  
1 1 1 -1  19 16 o 247.4270 2.593556  613.8197       12.83022  622.5890       18.42495  605.5644       17.87681  3.417801       5.187111  
1 1 1 -1  19 17 o 102.0698 1.136029  103.0958       2.299272  112.8042       3.541863  96.02453       3.022800  8.209946       2.272058  
1 1 1 -1  19 18 o 63.33749 0.7996965 40.06284       1.011965  41.56417       1.472743  38.71994       1.392865  2.244141       1.599393  
1 1 1 -1  19 19 f 153.4384 1.638102  234.2339       4.999378  250.2032       7.560089  221.8235       6.664645  9.217896       3.276204  
1 1 1 -1  19 20 o 42.76567 0.6822040 18.25795       0.5828226 17.55199       0.8009940 19.05224       0.8496252 -1.753288      1.364408  
1 1 1 -1  19 21 f 83.85392 0.9686230 70.35661       1.624402  69.96324       2.285831  70.75794       2.308844  -0.4733276     1.937246  
1 1 1 -1  19 22 o 164.3528 1.750678  270.4973       5.749916  264.6967       7.942502  276.8854       8.334900  -3.689392      3.501355  
1 1 1 -1  19 23 o 61.74985 0.7903296 38.14785       0.9759728 38.39484       1.390932  37.90832       1.369779  0.3934326      1.580659  
1 1 1 -1  19 24 o 203.7331 2.151840  416.3385       8.758449  405.9333       12.05354  427.9777       12.74827  -5.360306      4.303681  
1 1 1 -1  19 25 o 51.64581 1.031532  26.69516       1.061611  26.76893       1.570735  26.63312       1.440407  0.1267776      2.063064  
1 1 1 -1  19 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  19 27 o 70.72618 2.439471  50.20943       3.450690  50.20943       3.450690  ?              ?         ?              ?         
1 1 1 -1  19 28 o 38.22369 0.8976184 14.32431       0.6790690 17.07895       1.053005  12.36307       0.8885106 6.161930       1.795237  
1 1 1 -1  19 29 o 65.24466 1.140266  42.62650       1.487491  43.46481       2.135456  41.83637       2.073188  1.244400       2.280533  
1 1 1 -1  19 30 o 41.40202 0.8084115 16.53136       0.6230676 18.86018       1.139097  15.53713       0.7442785 3.996208       1.616823  
1 1 1 -1  19 31 o 75.66565 1.263472  57.34135       1.910607  58.77428       2.767222  56.03595       2.641195  1.800621       2.526944  
1 1 1 -1  19 32 o 118.9967 1.309519  141.7276       3.111638  137.0268       4.258087  147.1146       4.558276  -4.214470      2.619039  
1 1 1 -1  19 33 f 97.94482 1.109445  95.81684       2.167871  91.48674       2.942055  100.9609       3.206673  -4.815956      2.218890  
1 1 1 -1  19 34 o 16.31502 1.000753  2.766268       0.3132993 1.946803       0.4558306 3.500005       0.4313284 -4.761700      2.001506  
1 1 1 -1  19 35 o 71.88371 0.8827937 51.49506       1.263954  54.61878       1.893711  48.98552       1.697366  3.904457       1.765587  
1 1 1 -1  19 36 o 36.82757 0.6959316 13.54223       0.5109958 14.01979       0.7581488 13.14469       0.6917247 1.184113       1.391863  
1 1 1 -1  19 37 o 26.98118 0.7329839 7.235474       0.3939806 7.957928       0.5894932 6.652268       0.5296448 2.415356       1.465968  
1 1 1 -1  19 38 o 86.74529 1.016428  75.22349       1.759626  71.76740       2.394541  79.28069       2.594437  -4.309441      2.032856  
1 1 1 -1  19 39 o 80.25940 1.266381  64.02026       1.972051  61.89850       2.483463  67.64153       3.244453  -3.472336      2.532761  
1 1 1 -1  19 40 o 33.39476 0.7259621 11.05045       0.4821870 12.46772       0.7288272 9.947207       0.6430334 3.766390       1.451924  
1 1 1 -1  19 41 o 49.33982 0.7551604 24.39464       0.7448084 24.40471       1.070668  24.38520       1.036785  0.1646805E-01  1.510321  
1 1 1 -1  19 42 f 70.39642 0.8899257 49.53530       1.249384  51.89354       1.852712  47.56845       1.691996  3.052521       1.779851  
1 1 1 -1  19 43 o 80.36084 0.9791617 64.82958       1.573567  64.79664       2.241010  64.86162       2.210031  -0.4476929E-01 1.958323  
1 1 1 -1  19 44 o 60.99197 0.8324516 37.24907       1.013955  38.33716       1.482514  36.29272       1.389865  1.664604       1.664903  
1 1 1 -1  19 45 o 48.28777 0.7752348 23.35169       0.7476029 23.92983       1.092118  22.84187       1.025558  1.118000       1.550470  
1 1 1 -1  19 46 o 81.70208 1.091599  67.32565       1.761876  65.97563       2.696957  68.33079       2.327096  -1.512146      2.183199  
1 1 1 -1  19 47 o 84.98146 1.826687  72.64891       2.941650  71.00092       3.604589  75.93497       5.089961  -2.420624      3.653374  
1 1 1 -1  19 48 o 28.10633 1.036429  7.948492       0.5819248 7.905844       0.8423154 7.987433       0.8048914 -0.1527271     2.072858  
1 1 1 -1  19 49 o 27.22055 1.050596  7.417400       0.5696812 8.416671       0.8371134 6.555408       0.7774884 3.405998       2.101191  
1 1 1 -1  19 50 o 15.71313 1.420434  2.515360       0.4425944 2.362675       0.6580375 2.641494       0.5980938 -0.9060068     2.840868  
1 1 1 -1  19 51 o 45.96522 1.043989  21.05280       0.9542246 23.47094       1.446961  19.19183       1.269367  4.612179       2.087979  
1 1 1 -1  19 52 o 43.54044 1.032976  19.09347       0.8993298 18.66633       1.256540  19.54207       1.287722  -0.9975586     2.065952  
1 1 1 -1  19 53 o 21.99308 1.728634  0.000000       0.000000  ?              ?         4.887126       0.7603596 ?              ?         
1 1 1 -1  20 1  f 79.51431 0.9223424 63.23570       1.466690  63.86455       2.089062  62.62441       2.059677  0.7795029      1.844685  
1 1 1 -1  20 2  o 182.0395 1.922657  330.8574       6.983500  344.7585       10.30882  319.0676       9.493775  7.038101       3.845313  
1 1 1 -1  20 3  o 322.6691 3.366634  1045.023       21.72513  1050.565       30.90479  1039.609       30.54630  1.683563       6.733268  
1 1 1 -1  20 4  f 71.44200 0.8548359 50.78770       1.217206  54.16444       1.815777  48.03195       1.640340  4.290146       1.709672  
1 1 1 -1  20 5  o 54.12885 0.7226276 29.11007       0.7793933 31.61667       1.165153  27.08022       1.048509  4.189396       1.445255  
1 1 1 -1  20 6  o 66.68030 0.8164249 44.31619       1.085979  42.41600       1.473041  46.57867       1.607347  -3.120003      1.632850  
1 1 1 -1  20 7  o 195.5536 2.060068  381.9995       8.039442  397.3911       11.84836  368.8669       10.94435  7.269516       4.120137  
1 1 1 -1  20 8  o 119.1687 1.296140  142.0226       3.087846  139.5838       4.291331  144.6409       4.446552  -2.119125      2.592280  
1 1 1 -1  20 9  o 190.7998 2.013268  364.0585       7.672528  354.2254       10.53218  375.1776       11.19975  -5.471924      4.026537  
1 1 1 -1  20 10 f 88.29680 1.008294  77.99389       1.780556  77.49623       2.510399  78.49768       2.525845  -0.5668640     2.016587  
1 1 1 -1  20 11 o 41.38924 0.6692752 16.72947       0.5473943 14.33852       0.7122964 20.17837       0.8554920 -7.053314      1.338550  
1 1 1 -1  20 12 o 120.0300 1.306755  144.1257       3.136014  142.0292       4.369636  146.3525       4.503374  -1.798141      2.613510  
1 1 1 -1  20 13 o 82.97034 0.9601922 68.86526       1.593267  68.40491       2.239412  69.33714       2.267286  -0.5613556     1.920384  
1 1 1 -1  20 14 o 42.39697 0.6729020 17.77241       0.5672460 15.95514       0.7552834 20.12373       0.8591253 -4.914932      1.345804  
1 1 1 -1  20 15 o 87.69754 1.003860  76.92171       1.760178  75.86320       2.452966  78.04529       2.527230  -1.242683      2.007720  
1 1 1 -1  20 16 o 129.0436 1.396229  166.6436       3.602249  169.3404       5.176733  164.1118       5.015779  2.021149       2.792457  
1 1 1 -1  20 17 o 112.2934 1.233326  126.1712       2.769027  124.3547       3.858522  128.1002       3.976118  -1.664436      2.466653  
1 1 1 -1  20 18 o 179.1713 1.898648  321.3595       6.795537  330.6544       9.904444  313.0922       9.340973  4.875153       3.797297  
1 1 1 -1  20 19 o 61.38647 0.7845845 37.65440       0.9625439 38.87906       1.394493  36.53996       1.330263  1.903877       1.569169  
1 1 1 -1  20 20 o 164.8018 1.753899  271.3298       5.763793  260.4970       7.799650  284.3627       8.555094  -7.201370      3.507798  
1 1 1 -1  20 21 o 81.14548 0.9471619 65.89964       1.537147  66.02408       2.178770  65.77633       2.168971  0.1523514      1.894324  
1 1 1 -1  20 22 o 94.83208 1.314493  91.21925       2.388888  85.97257       3.934968  94.28163       3.006284  -4.421677      2.628985  
1 1 1 -1  20 23 o 67.85420 1.208685  46.07922       1.639469  47.08444       2.364366  45.14829       2.275315  1.422783       2.417370  
1 1 1 -1  20 24 f 67.66450 1.100318  45.69577       1.453729  45.14812       1.858687  46.55857       2.332987  -1.020477      2.200637  
1 1 1 -1  20 25 o 97.52869 1.097844  94.70133       2.131947  89.64674       2.857032  101.0523       3.202515  -5.830254      2.195687  
1 1 1 -1  20 26 o 137.8593 1.490435  190.6068       4.109354  190.0499       5.793692  191.1707       5.829483  -0.4040070     2.980871  
1 1 1 -1  20 27 o 53.39597 0.7413213 28.26525       0.7873057 31.11930       1.192475  26.05981       1.048253  4.732368       1.482643  
1 1 1 -1  20 28 o 7.400331 1.630306  0.5442175      0.2693008 0.4542707      0.3869929 0.6286708      0.3749884 -0.8663063     3.260612  
1 1 1 -1  20 29 o 49.63158 0.7317129 24.62735       0.7259061 23.86499       1.006131  25.45503       1.048342  -1.600128      1.463426  
1 1 1 -1  20 30 o 100.1989 1.129434  100.5969       2.263055  99.45683       3.168910  101.7834       3.232937  -1.156624      2.258868  
1 1 1 -1  20 31 o 59.52092 0.9449599 35.77790       1.085717  36.63907       1.375851  34.35653       1.767594  1.942562       1.889920  
1 1 1 -1  20 32 o 119.9815 1.861953  144.7740       4.463614  141.3202       6.151348  148.6151       6.487028  -2.996216      3.723905  
1 1 1 -1  20 33 o 91.80811 1.476689  84.68081       2.711325  84.13102       3.813085  85.24307       3.856062  -0.6007614     2.953377  
1 1 1 -1  20 34 o 107.5222 1.688876  116.2183       3.627598  112.9855       4.987057  119.8508       5.286417  -3.150070      3.377752  
1 1 1 -1  20 35 o 47.79052 0.9797286 22.88983       0.9362118 23.16143       1.341566  22.63200       1.307113  0.5508194      1.959457  
1 1 1 -1  20 36 o 50.75121 0.8883597 26.17964       0.8684696 24.39950       1.408856  27.27066       1.102952  -2.856010      1.776719  
1 1 1 -1  20 37 o 60.03358 0.8135878 36.02146       0.9756222 33.97032       1.342255  38.31887       1.420548  -3.615009      1.627176  
1 1 1 -1  20 38 f 67.88046 0.9437352 45.52711       1.255681  42.99163       1.603542  49.54652       2.018983  -4.783463      1.887470  
1 1 1 -1  20 39 f 27.46821 0.7776210 7.585599       0.4257528 7.136735       0.6155375 7.997316       0.5895159 -1.568996      1.555242  
1 1 1 -1  20 40 o 66.96034 0.8648504 44.96561       1.158143  44.60381       1.642350  45.32347       1.633409  -0.5384064     1.729701  
1 1 1 -1  20 41 o 100.9423 1.154867  102.3530       2.330043  104.2222       3.366265  100.6337       3.228414  1.755684       2.309733  
1 1 1 -1  20 42 o 39.42746 0.7427695 15.58147       0.5849893 15.56214       0.8483223 15.59900       0.8077666 -0.5113983E-01 1.485539  
1 1 1 -1  20 43 o 82.94258 1.000187  69.02441       1.657610  70.51460       2.406291  67.67863       2.286709  1.691505       2.000373  
1 1 1 -1  20 44 o 81.48917 1.250019  67.04565       1.891741  66.52252       3.363754  67.28764       2.287828  -0.6944733     2.500038  
1 1 1 -1  20 45 f 56.98650 1.245249  32.58944       1.412366  34.05482       2.121933  31.42384       1.892475  2.258038       2.490499  
1 1 1 -1  20 46 o 69.84987 0.9706281 49.08443       1.350454  49.70014       1.835624  48.35802       1.993833  0.9886627      1.941256  
1 1 1 -1  20 47 o 18.91481 1.265551  3.595925       0.4727248 4.433894       0.6936967 2.869397       0.6459245 4.123804       2.531101  
1 1 1 -1  20 48 o 31.73249 1.026715  10.12745       0.6486219 8.871576       0.9012262 11.47704       0.9342443 -4.098240      2.053431  
1 1 1 -1  20 49 o 18.86496 1.265210  3.601874       0.4753461 3.504921       0.6997331 3.684957       0.6477538 -0.4916515     2.530420  
1 1 1 -1  20 50 o 52.68606 1.079141  27.88727       1.135383  29.57424       1.661665  26.40994       1.554986  2.976353       2.158282  
1 1 1 -1  20 51 o 21.67130 1.190414  4.715442       0.5134113 5.021872       0.7735459 4.474174       0.6863893 1.237438       2.380829  
1 1 1 -1  20 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  21 1  o 46.82197 0.6922483 21.22053       0.6374017 26.27744       1.019095  17.97109       0.8169124 8.867954       1.384497  
1 1 1 -1  21 2  o 182.5373 1.929517  333.7378       7.044014  335.0368       10.00222  332.4597       9.921746  0.7034912      3.859033  
1 1 1 -1  21 3  f 112.0359 1.229422  124.1620       2.729963  136.0635       4.215409  115.5647       3.582781  9.136063       2.458844  
1 1 1 -1  21 4  f 199.4057 2.100765  398.4003       8.377867  400.1071       11.90043  396.7234       11.79644  0.8450012      4.201530  
1 1 1 -1  21 5  o 28.50774 0.6878173 7.984382       0.3862544 10.24162       0.5868816 6.259493       0.5130293 6.983488       1.375635  
1 1 1 -1  21 6  o 223.2893 2.345762  499.6856       10.47283  493.6447       14.60921  506.0718       15.02101  -2.767075      4.691525  
1 1 1 -1  21 7  f 97.47878 1.091239  95.07135       2.127413  94.68045       2.997562  95.46808       3.019793  -0.4036026     2.182477  
1 1 1 -1  21 8  o 130.0483 1.405272  168.7407       3.645474  162.2284       4.944943  176.4935       5.395421  -5.473839      2.810544  
1 1 1 -1  21 9  o 95.71083 1.074869  91.64388       2.057254  90.80883       2.881123  92.51254       2.938517  -0.8889313     2.149738  
1 1 1 -1  21 10 o 97.93478 1.095714  95.15295       2.131871  89.32066       2.825166  102.8659       3.248890  -6.906670      2.191428  
1 1 1 -1  21 11 f 95.45822 1.072566  91.16311       2.047379  92.23476       2.927275  90.13686       2.864603  1.097511       2.145132  
1 1 1 -1  21 12 o 30.58083 0.6615422 9.273831       0.4027970 8.263709       0.5427190 10.51260       0.6010129 -3.676140      1.323084  
1 1 1 -1  21 13 o 156.2678 1.666763  244.1978       5.201629  252.2769       7.606782  237.1020       7.128881  4.837387       3.333525  
1 1 1 -1  21 14 o 59.57283 0.7703336 35.21035       0.9134170 38.53583       1.376694  32.59521       1.220837  4.983162       1.540667  
1 1 1 -1  21 15 o 105.1116 1.163912  110.5923       2.446811  110.6253       3.461374  110.5593       3.459255  0.3131104E-01  2.327824  
1 1 1 -1  21 16 o 155.6427 1.661074  242.4321       5.164643  236.1386       7.101044  249.5000       7.525217  -4.272720      3.322149  
1 1 1 -1  21 17 o 101.9473 1.137580  102.7430       2.297002  113.2010       3.559788  95.28222       3.006705  8.769096       2.275161  
1 1 1 -1  21 18 o 51.19253 0.7752948 26.14509       0.7829389 26.67608       1.217316  25.77047       1.022481  0.8795929      1.550590  
1 1 1 -1  21 19 o 41.06346 0.9978536 16.85038       0.8187286 15.90339       1.133895  17.88187       1.183406  -2.407379      1.995707  
1 1 1 -1  21 20 o 133.7207 2.054262  179.5487       5.493248  181.0561       7.843295  178.0974       7.696051  1.095490       4.108524  
1 1 1 -1  21 21 o 82.19662 1.179059  67.55289       1.819723  67.33173       2.217905  68.00842       3.183055  -0.3665848     2.358118  
1 1 1 -1  21 22 o 39.05475 0.6812814 14.94222       0.5265197 17.81830       0.8174132 12.90274       0.6883360 6.289295       1.362563  
1 1 1 -1  21 23 o 146.2261 1.572531  214.5007       4.598878  214.0600       6.491325  214.9450       6.516338  -0.3008118     3.145063  
1 1 1 -1  21 24 o 49.29218 0.7168270 24.00132       0.7018036 27.13855       1.071560  21.64483       0.9286996 5.567699       1.433654  
1 1 1 -1  21 25 o 27.86829 0.7043039 7.754839       0.3914236 8.625507       0.5671424 6.962873       0.5409027 2.982080       1.408608  
1 1 1 -1  21 26 o 17.71735 0.9212825 3.130962       0.3125607 4.500477       0.4680108 2.028327       0.4199412 6.974352       1.842565  
1 1 1 -1  21 27 o 113.7846 1.257960  129.7456       2.861939  127.8904       3.991080  131.7093       4.106159  -1.670044      2.515919  
1 1 1 -1  21 28 o 158.3380 2.405164  252.8136       7.606423  246.0747       10.44009  260.4379       11.10487  -4.438339      4.810328  
1 1 1 -1  21 29 o 58.23527 0.7841125 33.95299       0.9132379 34.09032       1.296942  33.81793       1.286153  0.2332840      1.568225  
1 1 1 -1  21 30 o 51.47852 0.7387611 26.39549       0.7586781 24.30157       1.032377  28.85411       1.118677  -4.417324      1.477522  
1 1 1 -1  21 31 f 46.29378 0.7151837 21.27376       0.6587515 23.23166       0.9954248 19.74815       0.8786883 3.756096       1.430367  
1 1 1 -1  21 32 o 153.0580 1.649436  235.5072       5.044912  229.8975       6.963930  241.7026       7.318431  -3.807907      3.298872  
1 1 1 -1  21 33 o 22.24441 0.8627431 4.998793       0.3622179 3.018797       0.4905441 7.372684       0.5371262 -9.783083      1.725486  
1 1 1 -1  21 34 o 34.51619 0.7098897 11.93107       0.4893729 11.11110       0.6863294 12.77909       0.6979731 -2.415417      1.419779  
1 1 1 -1  21 35 o 36.93899 0.7095382 13.59648       0.5226272 14.55673       0.7767103 12.80202       0.7064837 2.369919       1.419076  
1 1 1 -1  21 36 o 39.51423 0.7218961 15.51525       0.5677086 16.88783       0.8562728 14.43867       0.7583405 3.091248       1.443792  
1 1 1 -1  21 37 o 40.90031 0.8646809 16.11981       0.6727206 14.81011       0.8181164 18.85419       1.182112  -4.906239      1.729362  
1 1 1 -1  21 38 o 15.19608 1.366305  2.341162       0.4114303 2.181216       0.6120479 2.473023       0.5557224 -0.9699907     2.732610  
1 1 1 -1  21 39 o 88.80637 1.454375  79.42624       2.581238  77.56834       3.568212  81.46581       3.738590  -2.160789      2.908750  
1 1 1 -1  21 40 o 27.70494 0.9956675 7.675202       0.5501335 6.917397       0.7541823 8.536944       0.8042406 -2.915836      1.991335  
1 1 1 -1  21 41 o 72.14764 1.253040  52.37217       1.807613  53.21021       2.592337  51.57911       2.521824  1.117455       2.506080  
1 1 1 -1  21 42 o 35.81937 2.146665  0.000000       0.000000  ?              ?         12.96292       1.537844  ?              ?         
1 1 1 -1  21 43 o 26.93279 1.208206  7.325378       0.6429207 7.435682       0.8495437 7.177526       0.9835622 0.5074558      2.416411  
1 1 1 -1  21 44 o 19.12872 1.015447  3.706810       0.3843679 3.443527       0.5747259 3.919862       0.5170015 -1.255375      2.030894  
1 1 1 -1  21 45 o 35.50559 0.8193130 12.65247       0.5817342 12.75258       0.8184672 12.55026       0.8269917 0.2862167      1.638626  
1 1 1 -1  21 46 o 27.74004 1.039737  7.755775       0.5746355 6.938438       0.8087597 8.589062       0.8166119 -2.973545      2.079474  
1 1 1 -1  21 47 o 32.60372 1.022014  10.69635       0.6660233 10.19098       0.9341455 11.21886       0.9498493 -1.572807      2.044029  
1 1 1 -1  21 48 o 35.63879 1.010008  12.78120       0.7198657 12.70572       1.011420  12.85869       1.024800  -0.2116241     2.020016  
1 1 1 -1  21 49 o 50.54303 1.069342  25.74099       1.080908  25.48685       1.529670  25.99445       1.527602  -0.5026627     2.138685  
1 1 1 -1  21 50 o 36.92330 1.009484  13.71603       0.7450270 14.24388       1.075892  13.22972       1.032690  1.362362       2.018969  
1 1 1 -1  21 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  22 1  o 97.54349 1.091667  95.20955       2.129620  95.79725       3.027689  94.63406       2.996036  0.5955200      2.183333  
1 1 1 -1  22 2  o 161.6377 1.720329  261.4799       5.557018  267.7243       8.052981  255.8036       7.678038  3.673843       3.440659  
1 1 1 -1  22 3  o 60.31681 0.7755363 36.38339       0.9354151 37.16232       1.336087  35.63451       1.310051  1.266056       1.551073  
1 1 1 -1  22 4  o 61.56006 0.7844582 37.18517       0.9548392 42.83168       1.494449  33.29005       1.241228  7.745541       1.568916  
1 1 1 -1  22 5  o 146.4508 1.568257  214.5451       4.588685  209.3899       6.319430  220.2948       6.673824  -3.710785      3.136513  
1 1 1 -1  22 6  o 76.74575 0.9049478 58.88645       1.388197  57.74218       1.923809  60.12949       2.005128  -1.553680      1.809896  
1 1 1 -1  22 7  o 158.3308 1.687362  251.1325       5.342901  249.6098       7.506583  252.6960       7.606414  -0.9707336     3.374723  
1 1 1 -1  22 8  o 86.25208 0.9896812 74.43462       1.707111  75.08401       2.432574  73.80447       2.396276  0.7408981      1.979362  
1 1 1 -1  22 9  o 29.50513 0.6655493 8.550844       0.3890885 7.285445       0.5134401 10.25776       0.5963234 -5.035587      1.331099  
1 1 1 -1  22 10 o 114.7303 1.257308  131.7615       2.884684  133.0329       4.118037  130.5365       4.042139  1.085457       2.514615  
1 1 1 -1  22 11 o 69.05176 0.8434844 47.03698       1.153582  43.17867       1.509002  52.46260       1.789434  -6.715981      1.686969  
1 1 1 -1  22 12 o 32.36179 0.6489174 10.46548       0.4197787 10.06002       0.5831968 10.90139       0.6047004 -1.299532      1.297835  
1 1 1 -1  22 13 f 97.79282 1.096555  95.66348       2.143493  97.77364       3.094916  93.71819       2.971559  2.069298       2.193110  
1 1 1 -1  22 14 o 55.83572 0.7428259 31.11951       0.8281975 29.97293       1.132890  32.43568       1.213787  -2.203396      1.485652  
1 1 1 -1  22 15 f 55.35728 0.9164677 31.11011       0.9653231 29.19601       1.613424  32.17733       1.204746  -2.705158      1.832935  
1 1 1 -1  22 16 o 89.65686 1.455779  80.31547       2.605014  77.09713       3.548077  84.07919       3.836948  -3.879219      2.911559  
1 1 1 -1  22 17 o 42.04367 0.9878185 17.68711       0.8303710 18.31811       1.186984  17.08233       1.162056  1.468731       1.975637  
1 1 1 -1  22 18 o 86.41757 1.210772  75.90193       2.015144  79.18059       2.559666  70.55727       3.268099  5.024231       2.421543  
1 1 1 -1  22 19 o 62.80219 0.7951076 39.46922       0.9986385 39.17620       1.403611  39.76960       1.421128  -0.4718132     1.590215  
1 1 1 -1  22 20 o 50.16313 0.7143339 24.88861       0.7120533 22.65062       0.9439692 27.84311       1.084606  -5.171036      1.428668  
1 1 1 -1  22 21 o 93.77167 1.064670  88.00196       1.995626  86.27243       2.767512  89.87537       2.880352  -1.915428      2.129340  
1 1 1 -1  22 22 o 63.70203 0.8099368 40.27233       1.026328  43.91087       1.553152  37.45199       1.367419  5.062069       1.619874  
1 1 1 -1  22 23 o 99.72574 1.122064  99.63560       2.237904  99.18595       3.149999  100.0938       3.179963  -0.4534149     2.244129  
1 1 1 -1  22 24 f 20.09546 0.8312374 4.027703       0.3317790 4.732063       0.4848197 3.407296       0.4550105 3.294842       1.662475  
1 1 1 -1  22 25 o 83.71942 0.9797442 69.92778       1.635980  73.74239       2.425141  66.74216       2.216201  4.169029       1.959488  
1 1 1 -1  22 26 o 40.99148 0.9274061 16.82946       0.7602855 16.97746       1.074250  16.68094       1.076164  0.3617973      1.854812  
1 1 1 -1  22 27 o 7.375164 1.627501  0.5050172      0.2756118 0.7758850      0.4118986 0.2854235      0.3708699 2.530065       3.255003  
1 1 1 -1  22 28 o 78.01405 0.9356231 60.85247       1.457865  63.10250       2.130013  58.86948       1.999624  2.704430       1.871246  
1 1 1 -1  22 29 o 16.06997 0.9812601 2.594392       0.3144328 2.480594       0.4563340 2.697260       0.4338666 -0.6758127     1.962520  
1 1 1 -1  22 30 o 92.21071 1.061203  85.20744       1.956256  86.74618       2.816431  83.77306       2.719253  1.603569       2.122406  
1 1 1 -1  22 31 o 86.33913 1.008084  74.29182       1.733882  70.00010       2.329345  79.62450       2.596514  -5.549690      2.016169  
1 1 1 -1  22 32 o 26.69628 0.7533309 6.778641       0.3911177 9.508807       0.6346344 5.106653       0.4966444 8.234718       1.506662  
1 1 1 -1  22 33 f 52.58843 0.7673140 27.63824       0.8060816 26.12354       1.109739  29.33003       1.172818  -3.043606      1.534628  
1 1 1 -1  22 34 o 83.58929 0.9922650 69.85323       1.654339  73.08027       2.450459  67.15063       2.242522  3.524376       1.984530  
1 1 1 -1  22 35 o 51.97501 1.052473  27.14590       1.060685  26.97894       1.723239  27.24774       1.345838  -0.3047752     2.104946  
1 1 1 -1  22 36 o 32.69152 0.7356769 10.63782       0.4792545 11.55204       0.7160414 9.895917       0.6450417 2.526384       1.471354  
1 1 1 -1  22 37 f 50.51133 0.7638261 25.56627       0.7713597 24.62750       1.083528  26.53092       1.098358  -1.882633      1.527652  
1 1 1 -1  22 38 o 15.24925 1.110351  2.304574       0.3359330 2.752003       0.5072325 1.954982       0.4483584 2.604347       2.220701  
1 1 1 -1  22 39 o 37.93616 0.8239934 14.67593       0.6129906 12.89459       0.9280767 16.05442       0.8164173 -4.177891      1.647987  
1 1 1 -1  22 40 o 42.92159 1.153770  18.47549       0.9855558 19.02844       1.477762  18.03252       1.322671  1.133244       2.307540  
1 1 1 -1  22 41 o 13.70352 1.290031  1.888743       0.3524574 2.107472       0.5104668 1.689463       0.4872439 1.520154       2.580062  
1 1 1 -1  22 42 f 49.79404 0.7799168 24.87489       0.7760451 24.73675       1.119113  25.00285       1.077080  -0.2729797     1.559834  
1 1 1 -1  22 43 o 31.07722 0.8212630 9.593287       0.5068271 8.147364       0.6827559 11.36802       0.7564138 -5.170889      1.642526  
1 1 1 -1  22 44 o 41.41844 0.9021250 17.18375       0.7273805 17.02584       0.9258760 17.43836       1.175625  -0.4545860     1.804250  
1 1 1 -1  22 45 o 29.07920 1.036932  8.441665       0.6004296 9.597999       0.8918919 7.483230       0.8119923 3.619532       2.073864  
1 1 1 -1  22 46 o 33.46718 1.007558  11.23624       0.6732104 11.89753       0.9885502 10.66430       0.9193397 1.826836       2.015117  
1 1 1 -1  22 47 o 27.61451 1.070912  7.693490       0.5904543 7.362758       0.8472698 8.005774       0.8233026 -1.170010      2.141824  
1 1 1 -1  22 48 o 50.62241 1.068623  25.82111       1.081820  25.39843       1.517942  26.25741       1.542195  -0.8421631     2.137247  
1 1 1 -1  22 49 o 19.41919 1.289746  3.817027       0.4990716 3.404432       0.6981433 4.248216       0.7137015 -2.167612      2.579492  
1 1 1 -1  22 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  23 1  o 137.3024 1.479660  187.8316       4.045239  199.3288       6.073649  178.6654       5.423126  7.497086       2.959320  
1 1 1 -1  23 2  o 179.8850 1.906937  324.5491       6.860583  324.5227       9.697355  324.5754       9.707310  -0.1408386E-01 3.813873  
1 1 1 -1  23 3  o 35.43470 0.6557381 12.55214       0.4643660 13.26054       0.6654422 11.87972       0.6483180 1.948078       1.311476  
1 1 1 -1  23 4  o 138.2033 1.488343  191.0392       4.108197  185.6601       5.635009  197.1420       6.002085  -4.137711      2.976686  
1 1 1 -1  23 5  o 24.06715 0.7203831 5.808940       0.3458590 6.068703       0.4795378 5.527329       0.4992974 1.125147       1.440766  
1 1 1 -1  23 6  o 42.12693 0.6705474 17.72365       0.5642074 17.20445       0.7741622 18.31183       0.8239861 -1.313297      1.341095  
1 1 1 -1  23 7  o 251.0365 2.639962  633.7143       13.24639  622.0419       18.35290  646.4069       19.13823  -4.786575      5.279924  
1 1 1 -1  23 8  o 108.4185 1.198665  117.3949       2.593899  122.3394       3.817609  113.1546       3.535290  4.224724       2.397330  
1 1 1 -1  23 9  o 81.98483 0.9527870 67.27235       1.562278  67.47258       2.211874  67.07302       2.206923  0.2435226      1.905574  
1 1 1 -1  23 10 o 119.2523 1.302896  142.3464       3.105780  139.7020       4.307701  145.2090       4.481952  -2.301285      2.605793  
1 1 1 -1  23 11 o 80.08168 1.155545  63.75135       1.728233  65.50426       3.069713  62.93790       2.091127  1.563835       2.311091  
1 1 1 -1  23 12 o 72.31285 1.244329  52.17833       1.794834  54.97143       2.658690  49.83956       2.432873  3.538261       2.488658  
1 1 1 -1  23 13 f 67.54259 1.189042  45.58973       1.604090  43.79020       2.200250  47.63134       2.343578  -2.836906      2.378084  
1 1 1 -1  23 14 o 50.00399 0.8843648 24.80798       0.8217669 24.44365       0.9895166 25.61772       1.475189  -1.156258      1.768730  
1 1 1 -1  23 15 f 49.89362 0.7104584 24.75033       0.7062944 23.12308       0.9499106 26.76223       1.056230  -3.643570      1.420917  
1 1 1 -1  23 16 f 45.10636 0.6851703 20.32174       0.6174396 19.60387       0.8493088 21.12644       0.8992094 -1.686218      1.370341  
1 1 1 -1  23 17 o 31.16506 0.6712832 9.543244       0.4137692 11.80010       0.6307482 7.838390       0.5482107 6.353456       1.342566  
1 1 1 -1  23 18 o 77.06036 0.9163869 59.45029       1.412333  59.67789       2.001565  59.22461       1.993144  0.2937393      1.832774  
1 1 1 -1  23 19 o 78.05949 0.9263779 60.20266       1.432686  55.48925       1.876597  66.78845       2.218232  -7.221512      1.852756  
1 1 1 -1  23 20 f 41.27274 0.6902549 17.04460       0.5696675 16.95070       0.7970081 17.14269       0.8145409 -0.2319527     1.380510  
1 1 1 -1  23 21 o 57.96384 0.7743104 33.19202       0.8905872 30.28371       1.173014  37.14991       1.368402  -5.914574      1.548621  
1 1 1 -1  23 22 o 34.19434 0.6783904 11.65782       0.4630806 12.51717       0.6795161 10.91263       0.6327698 2.344410       1.356781  
1 1 1 -1  23 23 o 31.85172 0.6947959 10.06615       0.4404159 11.55619       0.6557968 8.842042       0.5944036 4.257988       1.389592  
1 1 1 -1  23 24 o 104.3018 1.171155  108.8977       2.439985  112.4500       3.560305  105.7515       3.350558  3.194427       2.342311  
1 1 1 -1  23 25 o 17.21961 0.9246324 2.959780       0.3164228 3.454841       0.4619146 2.522070       0.4343364 2.706673       1.849265  
1 1 1 -1  23 26 o 41.64435 0.7070830 17.03381       0.5833591 20.25028       0.8987659 14.69230       0.7668397 6.666466       1.414166  
1 1 1 -1  23 27 f 25.04256 0.7756376 6.279556       0.3884428 6.398316       0.5510865 6.162288       0.5476121 0.4710388      1.551275  
1 1 1 -1  23 28 f 42.68947 0.7138755 17.90514       0.6037384 21.10583       0.9324031 15.59436       0.7922465 6.446877       1.427751  
1 1 1 -1  23 29 o 65.74332 0.8430688 43.29177       1.108385  42.78276       1.552621  43.82078       1.582802  -0.7871475     1.686138  
1 1 1 -1  23 30 o 15.07104 1.095476  2.332238       0.3211274 1.747732       0.4616624 2.880154       0.4469787 -3.758504      2.190952  
1 1 1 -1  23 31 o 86.08624 1.010127  74.21353       1.737424  71.77016       2.392560  76.93951       2.527137  -2.988190      2.020254  
1 1 1 -1  23 32 o 38.03427 0.7215540 14.43808       0.5471563 15.10775       0.8130540 13.88376       0.7397252 1.603291       1.443108  
1 1 1 -1  23 33 o 44.02702 0.7336659 19.35431       0.6444146 20.29012       0.9528614 18.56553       0.8748125 1.951878       1.467332  
1 1 1 -1  23 34 o 26.70097 1.244854  7.234525       0.6574005 6.618559       0.9793943 7.739624       0.8868839 -2.113554      2.489709  
1 1 1 -1  23 35 o 30.37588 0.7518748 9.092341       0.4528705 10.56342       0.6969627 8.017376       0.5957846 4.180775       1.503750  
1 1 1 -1  23 36 o 52.48392 0.7759417 27.61681       0.8142210 27.26940       1.161930  27.95200       1.141312  -0.6524734     1.551883  
1 1 1 -1  23 37 o 18.16351 1.607888  3.389769       0.5717310 3.003972       0.8725306 3.680050       0.7568518 -1.887516      3.215777  
1 1 1 -1  23 38 o 25.50496 1.142990  6.616179       0.5750751 7.137338       0.7726836 5.969035       0.8610283 2.305090       2.285980  
1 1 1 -1  23 39 o 13.68467 1.359018  2.021674       0.3382596 1.246952       0.4900540 2.726685       0.4674862 -5.580241      2.718037  
1 1 1 -1  23 40 o 35.44476 0.7505698 12.52398       0.5298200 13.38411       0.7949541 11.83658       0.7106679 2.171921       1.501140  
1 1 1 -1  23 41 o 64.38384 0.8638105 41.54578       1.110545  42.65007       1.624962  40.57795       1.521257  1.593353       1.727621  
1 1 1 -1  23 42 o 58.60517 0.8797963 34.30584       1.023856  33.06750       1.358543  35.93390       1.557708  -2.412926      1.759593  
1 1 1 -1  23 43 o 32.66975 0.8344733 10.72229       0.5447212 11.24559       0.7696299 10.19702       0.7710764 1.605049       1.668947  
1 1 1 -1  23 44 o 53.49116 1.001407  28.77148       1.054655  28.70299       1.375011  28.86936       1.643714  -0.9835052E-01 2.002813  
1 1 1 -1  23 45 o 16.67460 1.427727  2.763772       0.4709471 3.404598       0.7191114 2.282514       0.6231815 3.334513       2.855454  
1 1 1 -1  23 46 f 18.79069 1.260609  3.561333       0.4732886 3.703488       0.6882592 3.433807       0.6518834 0.7070560      2.521218  
1 1 1 -1  23 47 o 27.68233 1.063629  7.618166       0.5848006 8.787690       0.8901094 6.729949       0.7757089 3.686220       2.127258  
1 1 1 -1  23 48 o 54.51165 1.111652  29.92314       1.210726  30.94654       1.761382  29.00652       1.666966  1.753845       2.223305  
1 1 1 -1  24 1  o 20.92229 1.079336  4.363062       0.4485712 3.694530       0.6138037 5.129385       0.6571646 -3.427328      2.158673  
1 1 1 -1  24 2  o 77.75745 1.299024  60.20742       2.012076  64.49767       3.014534  56.76053       2.702054  4.960403       2.598047  
1 1 1 -1  24 3  f 115.4583 1.557012  132.9263       3.364085  135.6691       5.942218  131.6326       4.081072  1.642944       3.114023  
1 1 1 -1  24 4  o 42.58244 0.6746140 17.71159       0.5673727 15.38701       0.7357320 21.12247       0.8912097 -6.730602      1.349228  
1 1 1 -1  24 5  o 68.79082 0.8398077 47.00516       1.149882  50.91792       1.732952  43.92730       1.536985  5.074738       1.679615  
1 1 1 -1  24 6  o 91.01279 1.035537  82.64733       1.879923  79.25340       2.548818  86.69633       2.783939  -4.079277      2.071073  
1 1 1 -1  24 7  o 58.37169 0.9408846 34.09609       1.036131  34.14266       1.793199  34.07275       1.269504  0.3987122E-01  1.881769  
1 1 1 -1  24 8  o 80.50362 1.338147  64.92966       2.154095  65.86942       3.083672  64.03407       3.010351  1.135727       2.676294  
1 1 1 -1  24 9  o 48.91987 1.010649  23.92482       0.9880514 25.07204       1.430014  22.87685       1.366763  2.240852       2.021298  
1 1 1 -1  24 10 o 33.13737 0.8352643 10.64292       0.5060117 10.16874       0.5975682 11.84454       0.9512655 -2.515507      1.670529  
1 1 1 -1  24 11 o 49.47696 0.7132464 23.96001       0.6976148 28.31956       1.091468  20.94903       0.9070772 7.442482       1.426493  
1 1 1 -1  24 12 o 172.8544 1.840865  299.9734       6.361712  304.7809       9.146216  295.4678       8.854512  2.669159       3.681729  
1 1 1 -1  24 13 o 62.49606 0.7974476 38.65247       0.9893484 35.68717       1.305735  42.64962       1.515989  -5.562370      1.594895  
1 1 1 -1  24 14 o 96.84793 1.094253  93.69730       2.115175  97.75022       3.114227  90.22658       2.881882  3.871819       2.188506  
1 1 1 -1  24 15 o 96.96265 1.094777  94.14893       2.122491  92.91504       2.961066  95.45286       3.043960  -1.304047      2.189554  
1 1 1 -1  24 16 o 78.30437 0.9267436 61.23808       1.448601  59.00665       1.976223  63.82940       2.129630  -3.071991      1.853487  
1 1 1 -1  24 17 o 42.53308 0.6821793 18.10342       0.5802571 18.09768       0.8153903 18.10932       0.8259259 -0.1329803E-01 1.364359  
1 1 1 -1  24 18 o 62.63920 0.8051981 38.53938       0.9970558 44.18154       1.562072  34.66028       1.295222  7.588173       1.610396  
1 1 1 -1  24 19 o 59.27983 0.7784081 35.17118       0.9228036 34.81929       1.295010  35.53419       1.315309  -0.6020813     1.556816  
1 1 1 -1  24 20 o 55.72011 0.7600975 30.70241       0.8411462 34.34194       1.285705  27.97894       1.112192  5.701561       1.520195  
1 1 1 -1  24 21 o 18.40749 0.8660262 3.404372       0.3163771 2.892333       0.4436828 3.934056       0.4512630 -2.829172      1.732052  
1 1 1 -1  24 22 o 11.33526 1.350946  1.388244       0.2837458 0.8082795      0.4090058 1.926354       0.3939707 -5.060324      2.701893  
1 1 1 -1  24 23 o 11.51141 1.336482  1.455535       0.2793022 0.6549970      0.3942758 2.261923       0.3957139 -7.030501      2.672964  
1 1 1 -1  24 24 o 61.88363 0.8075237 38.33899       0.9992246 38.85089       1.431590  37.85269       1.395341  0.8042603      1.615047  
1 1 1 -1  24 25 o 25.15208 0.7561230 6.334742       0.3803355 6.332734       0.5409874 6.336703       0.5348169 -0.8272171E-02 1.512246  
1 1 1 -1  24 26 o 49.42951 0.7355739 24.45592       0.7270410 24.98735       1.040364  23.94865       1.016436  1.049160       1.471148  
1 1 1 -1  24 27 o 23.13849 0.8191044 5.355679       0.3738064 4.227391       0.5128813 6.634159       0.5459514 -5.198278      1.638209  
1 1 1 -1  24 28 o 23.03327 0.7989249 5.312972       0.3679464 5.409888       0.5275719 5.221184       0.5134261 0.4084778      1.597850  
1 1 1 -1  24 29 o 95.73383 1.098348  91.60314       2.096669  87.40780       2.835133  96.66713       3.114840  -4.803627      2.196697  
1 1 1 -1  24 30 o 28.10602 0.7734615 7.871446       0.4314225 6.592722       0.5885824 9.356143       0.6342171 -4.912188      1.546923  
1 1 1 -1  24 31 o 90.08286 1.049154  81.24786       1.887296  78.01056       2.582750  84.95708       2.764600  -3.833160      2.098307  
1 1 1 -1  24 32 o 32.44241 1.136688  10.64725       0.7321932 9.437228       1.054640  11.77316       1.017323  -3.605406      2.273377  
1 1 1 -1  24 33 o 49.35207 0.7530290 24.41551       0.7430316 23.80714       1.053905  25.01677       1.047734  -1.226128      1.506058  
1 1 1 -1  24 34 o 78.25153 1.196216  61.94972       1.748099  60.49971       3.064426  62.64918       2.128369  -1.523193      2.392432  
1 1 1 -1  24 35 o 60.69466 1.223763  37.00060       1.483845  34.66112       2.056223  39.54275       2.143442  -4.006187      2.447526  
1 1 1 -1  24 36 o 103.6057 1.182225  107.9637       2.449617  108.0124       3.479359  107.9159       3.449398  0.4141235E-01  2.364449  
1 1 1 -1  24 37 o 20.77132 0.9098160 4.253210       0.3739993 5.219162       0.5703342 3.524468       0.4953804 4.068661       1.819632  
1 1 1 -1  24 38 o 73.56288 0.9260108 54.34301       1.362353  53.74888       1.924262  54.94012       1.929064  -0.8089066     1.852022  
1 1 1 -1  24 39 f 27.88260 0.8245918 7.849604       0.4546052 6.456819       0.6396883 9.270795       0.6461784 -5.045181      1.649184  
1 1 1 -1  24 40 o 58.79002 0.8306072 34.64151       0.9755573 35.57241       1.419904  33.80917       1.342630  1.487946       1.661214  
1 1 1 -1  24 41 o 45.88194 0.7763139 21.12949       0.7116216 20.94469       1.027849  21.29962       0.9862111 -0.3931084     1.552628  
1 1 1 -1  24 42 o 26.95251 0.8744114 7.280554       0.4706974 7.836116       0.6821245 6.775551       0.6503452 1.961840       1.748823  
1 1 1 -1  24 43 o 30.48774 0.9519380 9.009600       0.5681625 7.764898       0.7189864 11.07932       0.9271367 -5.391226      1.903876  
1 1 1 -1  24 44 o 56.82325 1.117767  32.46291       1.268497  31.06087       1.738147  34.06055       1.855442  -2.610237      2.235534  
1 1 1 -1  24 45 o 11.99596 1.860732  1.535383       0.4330820 1.434588       0.6437633 1.618712       0.5853380 -0.7963428     3.721465  
1 1 1 -1  24 46 o 9.131296 2.061845  0.8460876      0.4236777 0.8331604      0.6283854 0.8568620      0.5736851 -0.2003670E-02 4.123689  
1 1 1 -1  24 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  25 1  f 71.64185 0.8676952 51.32900       1.242586  52.79198       1.793962  49.97984       1.722765  1.959763       1.735390  
1 1 1 -1  25 2  o 35.66700 0.7161992 12.77785       0.5079678 12.21981       0.7501415 13.25045       0.6903299 -1.446785      1.432398  
1 1 1 -1  25 3  o 145.5265 2.020190  213.7412       5.806111  207.4816       8.873634  218.4272       7.677746  -3.873047      4.040381  
1 1 1 -1  25 4  o 101.4847 2.276106  103.3466       4.619800  103.3466       4.619800  ?              ?         ?              ?         
1 1 1 -1  25 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  25 6  o 42.08943 1.342047  17.73692       1.129720  17.73692       1.129720  ?              ?         ?              ?         
1 1 1 -1  25 7  o 72.80947 1.242900  53.11109       1.809402  52.54552       2.524367  53.70869       2.594851  -0.7944946     2.485800  
1 1 1 -1  25 8  o 79.33344 1.151263  61.92592       1.690061  66.01848       3.079940  60.16271       2.021608  3.630585       2.302525  
1 1 1 -1  25 9  o 71.26093 0.8695517 50.81268       1.238862  49.98585       1.724467  51.69453       1.780929  -1.196381      1.739103  
1 1 1 -1  25 10 o 46.21316 0.6962123 21.30539       0.6424503 22.92534       0.9378028 19.87283       0.8818960 3.300606       1.392425  
1 1 1 -1  25 11 o 86.63714 1.000633  75.03922       1.731707  77.78130       2.526459  72.60940       2.378261  2.976913       2.001266  
1 1 1 -1  25 12 o 79.52368 0.9413345 63.19809       1.495056  65.64793       2.186120  61.04556       2.049174  2.886757       1.882669  
1 1 1 -1  25 13 f 95.20962 1.079440  90.70722       2.053588  88.48348       2.832242  93.17228       2.981963  -2.453476      2.158880  
1 1 1 -1  25 14 o 69.60379 0.8574293 48.11073       1.187375  52.30449       1.794727  44.84623       1.583451  5.347458       1.714859  
1 1 1 -1  25 15 o 43.34348 0.6925756 18.48252       0.5952157 21.59323       0.9152865 16.20301       0.7835157 6.212673       1.385151  
1 1 1 -1  25 16 o 48.80805 0.7147950 23.83410       0.6976060 24.32985       0.9991411 23.36256       0.9744500 0.9898109      1.429590  
1 1 1 -1  25 17 o 28.04953 0.7109013 7.774714       0.3947769 9.529707       0.5930722 6.378425       0.5290024 5.614309       1.421803  
1 1 1 -1  25 18 o 53.60977 0.7482852 28.76895       0.8022558 29.03515       1.142559  28.51007       1.126729  0.4888840      1.496570  
1 1 1 -1  25 19 o 68.96577 0.8588820 47.32094       1.179609  50.94654       1.770979  44.42967       1.581495  4.713303       1.717764  
1 1 1 -1  25 20 o 111.7630 1.747319  125.6829       3.905527  125.1386       5.491947  126.2397       5.555092  -0.4846497     3.494638  
1 1 1 -1  25 21 o 54.59929 0.7617642 29.55944       0.8270770 32.58906       1.254420  27.22959       1.100051  4.898796       1.523528  
1 1 1 -1  25 22 o 80.72995 0.9588087 65.20435       1.546334  63.13155       2.125987  67.53275       2.253250  -2.715775      1.917617  
1 1 1 -1  25 23 o 19.47120 0.8429270 3.797667       0.3248611 4.560465       0.4708777 3.104828       0.4487656 3.736326       1.685854  
1 1 1 -1  25 24 o 76.71140 0.9261762 58.96470       1.420696  59.64751       2.033095  58.31313       1.986066  0.8657150      1.852352  
1 1 1 -1  25 25 f 17.41210 0.9480481 3.032043       0.3295324 3.305950       0.4781788 2.784307       0.4547611 1.495707       1.896096  
1 1 1 -1  25 26 o 68.87863 0.8717175 47.12391       1.193967  51.48641       1.810886  43.76909       1.588027  5.581787       1.743435  
1 1 1 -1  25 27 o 44.27034 0.7336976 19.63114       0.6496056 19.74212       0.9174295 19.51956       0.9199377 0.2515640      1.467395  
1 1 1 -1  25 28 o 65.35152 0.8511749 42.51096       1.107765  46.00898       1.663268  39.72236       1.485065  4.792576       1.702350  
1 1 1 -1  25 29 o 26.66114 0.7851669 7.122276       0.4186440 7.222163       0.5955337 7.024693       0.5886309 0.3696804      1.570334  
1 1 1 -1  25 30 o 51.61058 1.171831  26.42580       1.201804  23.35741       1.598741  30.41251       1.822341  -6.801445      2.343662  
1 1 1 -1  25 31 o 53.09143 0.8593829 27.97336       0.8920454 29.62253       1.438127  26.94204       1.137264  2.489765       1.718766  
1 1 1 -1  25 32 o 56.94387 1.178555  32.33445       1.336649  29.03224       1.801871  36.37513       1.993189  -6.416630      2.357110  
1 1 1 -1  25 33 o 62.39426 1.035885  38.99847       1.217239  38.79817       1.487449  39.40453       2.117914  -0.3931618     2.071771  
1 1 1 -1  25 34 o 81.10789 0.9822662 66.04975       1.593257  65.95632       2.267069  66.14093       2.239594  -0.1177750     1.964532  
1 1 1 -1  25 35 o 69.09375 0.8863367 47.82403       1.222791  49.28198       1.791143  46.55142       1.673427  1.959511       1.772673  
1 1 1 -1  25 36 o 32.70739 0.7671528 10.72770       0.4996387 10.73743       0.7422055 10.71964       0.6756644 0.1837540E-01  1.534306  
1 1 1 -1  25 37 f 21.66432 0.9052432 4.645007       0.3891688 5.283220       0.5974626 4.174668       0.5129004 2.544966       1.810486  
1 1 1 -1  25 38 o 51.34837 0.7843472 26.39189       0.8044677 24.66645       1.110992  28.29373       1.166408  -3.524216      1.568694  
1 1 1 -1  25 39 o 39.70152 0.7622320 15.77981       0.6039066 16.27579       0.8891624 15.35511       0.8227988 1.149738       1.524464  
1 1 1 -1  25 40 o 92.21291 1.092446  85.50272       2.013350  82.85394       2.784490  88.40478       2.914577  -2.981346      2.184892  
1 1 1 -1  25 41 o 13.05260 1.439323  1.694633       0.3540068 2.489348       0.5527640 1.142028       0.4609366 5.298583       2.878647  
1 1 1 -1  25 42 o 69.58514 1.091051  49.15166       1.475518  50.44095       1.890857  47.14407       2.359506  2.480484       2.182101  
1 1 1 -1  25 43 o 25.23467 1.113981  6.396688       0.5611210 6.956986       0.8202620 5.903876       0.7692793 2.073479       2.227962  
1 1 1 -1  25 44 o 14.36760 1.655879  2.190157       0.4522896 1.748416       0.6680804 2.563930       0.6145372 -3.078949      3.311757  
1 1 1 -1  25 45 o 20.95307 1.220207  4.456182       0.5088147 4.043728       0.7305828 4.844676       0.7090456 -1.917671      2.440414  
1 1 1 -1  26 1  o 78.60501 1.139840  62.05614       1.695326  62.36238       2.086541  61.46124       2.908166  0.6234894      2.279680  
1 1 1 -1  26 2  o 19.37792 0.8362762 3.700835       0.3191976 2.891219       0.4257041 4.740571       0.4824250 -4.769239      1.672552  
1 1 1 -1  26 3  o 43.32031 0.6908343 18.76163       0.5982142 19.61201       0.8606318 17.96670       0.8320952 1.897923       1.381669  
1 1 1 -1  26 4  o 88.29779 1.016023  78.08720       1.794191  77.75930       2.525123  78.42155       2.549796  -0.3736267     2.032046  
1 1 1 -1  26 5  o 66.16447 0.8302202 43.81977       1.098441  43.57281       1.537734  44.07708       1.569618  -0.3796005     1.660440  
1 1 1 -1  26 6  o 108.9207 1.209264  118.7640       2.631849  122.2013       3.822729  115.6665       3.628830  2.986671       2.418529  
1 1 1 -1  26 7  o 63.91942 0.8117867 40.54414       1.032145  44.30227       1.562393  37.63398       1.374870  5.207531       1.623573  
1 1 1 -1  26 8  o 63.66528 0.8108985 40.51664       1.031409  39.36065       1.419245  41.81049       1.501493  -1.920139      1.621797  
1 1 1 -1  26 9  o 30.67117 0.7222867 9.321012       0.4364825 11.83364       0.6513610 7.273140       0.5880427 7.431814       1.444573  
1 1 1 -1  26 10 o 152.6239 2.017592  234.1144       5.785725  233.1861       7.057110  236.0175       10.10452  -0.5530090     4.035185  
1 1 1 -1  26 11 o 81.73831 1.353596  66.82864       2.208180  70.15278       3.253729  63.99032       3.006572  3.747932       2.707193  
1 1 1 -1  26 12 o 19.90407 1.096229  3.991338       0.4305631 4.822258       0.6168389 3.201819       0.6012757 4.069475       2.192458  
1 1 1 -1  26 13 o 108.4123 1.705576  118.2077       3.697989  117.9852       5.206769  118.4341       5.253030  -0.2015305     3.411152  
1 1 1 -1  26 14 o 77.69361 1.140429  59.12608       1.636207  64.12925       3.004159  57.01601       1.950965  4.494431       2.280859  
1 1 1 -1  26 15 o 47.68843 0.7815349 22.78850       0.7381797 22.63090       1.122936  22.90842       0.9795749 -0.2988167     1.563070  
1 1 1 -1  26 16 o 83.12262 0.9761930 69.14716       1.621522  71.17675       2.352326  67.30962       2.238280  2.318031       1.952386  
1 1 1 -1  26 17 o 76.04427 0.9192850 57.93324       1.398076  57.73049       1.967426  58.14005       1.987077  -0.2678833     1.838570  
1 1 1 -1  26 18 o 168.7451 2.571163  288.8227       8.669744  282.5652       11.96457  295.7408       12.58034  -3.774170      5.142325  
1 1 1 -1  26 19 o 73.52005 0.8980056 54.15491       1.320408  53.84654       1.861066  54.46747       1.873675  -0.4213257     1.796011  
1 1 1 -1  26 20 f 70.18665 0.8725151 48.99947       1.218898  45.90693       1.629306  52.93012       1.836862  -4.987122      1.745030  
1 1 1 -1  26 21 o 40.05428 0.7080296 15.99570       0.5659390 17.42348       0.8311829 14.76168       0.7727275 3.318813       1.416059  
1 1 1 -1  26 22 o 73.32245 0.8997492 53.88553       1.319416  54.10048       1.872314  53.67347       1.859621  0.2900314      1.799498  
1 1 1 -1  26 23 o 41.83077 0.7186041 17.44788       0.5998732 18.89696       0.8827374 16.20449       0.8176895 3.213390       1.437208  
1 1 1 -1  26 24 o 61.19505 0.8152399 37.43689       0.9963385 39.11675       1.457650  35.96383       1.364982  2.568035       1.630480  
1 1 1 -1  26 25 f 54.26646 0.7761272 29.47811       0.8418518 28.75796       1.166226  30.26167       1.216480  -1.381100      1.552254  
1 1 1 -1  26 26 o 70.95329 0.8912946 50.47578       1.264755  50.69031       1.798096  50.26571       1.779320  0.2972260      1.782589  
1 1 1 -1  26 27 o 49.97313 0.7618610 24.98754       0.7608849 26.08167       1.101507  23.98901       1.052287  2.089104       1.523722  
1 1 1 -1  26 28 f 44.65662 1.152255  19.98499       1.027578  18.63993       1.413573  21.49226       1.496389  -3.181068      2.304509  
1 1 1 -1  26 29 o 24.63801 1.435452  6.062914       0.6989697 4.868850       0.9444562 7.508909       1.039325  -5.339378      2.870904  
1 1 1 -1  26 30 o 49.65258 0.9900659 24.78975       0.9063936 24.85518       1.089214  24.64241       1.634482  0.2877541      1.980132  
1 1 1 -1  26 31 o 31.79124 0.7737472 10.11621       0.4913284 10.42250       0.7170619 9.845142       0.6745698 0.9032574      1.547494  
1 1 1 -1  26 32 o 39.97482 0.7463084 15.76924       0.5916632 18.04206       0.9112785 14.11292       0.7779307 4.899761       1.492617  
1 1 1 -1  26 33 o 45.20682 0.7555901 20.42942       0.6816949 18.65759       0.9386200 22.40728       0.9916922 -4.140820      1.511180  
1 1 1 -1  26 34 o 17.19043 1.023237  2.873513       0.3447258 3.839846       0.5407661 2.211990       0.4474230 4.718269       2.046475  
1 1 1 -1  26 35 o 49.87024 0.7764996 24.92990       0.7735832 25.24966       1.124493  24.64261       1.065882  0.6006012      1.552999  
1 1 1 -1  26 36 o 25.92316 0.8263111 6.638440       0.4246415 7.564059       0.6557761 5.970065       0.5572497 3.059797       1.652622  
1 1 1 -1  26 37 o 44.52769 0.7741014 19.88908       0.6888337 18.83426       0.9665062 20.97797       0.9819945 -2.404869      1.548203  
1 1 1 -1  26 38 o 44.70093 0.7756511 19.77917       0.6874842 22.11150       1.060599  18.08908       0.9028415 4.474792       1.551302  
1 1 1 -1  26 39 f 76.12117 0.9604606 58.06203       1.459302  54.94852       1.988534  61.69574       2.148236  -4.398521      1.920921  
1 1 1 -1  26 40 o 39.99060 0.8164573 16.05484       0.6524924 15.95807       0.9036618 16.16026       0.9431303 -0.2456818     1.632915  
1 1 1 -1  26 41 o 20.89720 1.193461  4.410356       0.4982988 4.191923       0.7056446 4.627625       0.7037611 -1.043003      2.386921  
1 1 1 -1  26 42 o 21.99360 1.171428  4.878820       0.5142731 4.955051       0.7536204 4.812385       0.7035434 0.3098831      2.342855  
1 1 1 -1  26 43 o 8.707933 2.047959  0.7457409      0.4167292 0.7127058      0.6096508 0.7747139      0.5709400 -0.1632414     4.095918  
1 1 1 -1  26 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  27 1  o 98.96902 1.117815  97.66052       2.203194  92.79675       2.956263  103.7368       3.304279  -5.499870      2.235631  
1 1 1 -1  27 2  o 39.57941 0.6842960 15.66941       0.5414116 15.36787       0.7514677 15.99488       0.7807125 -0.7906952     1.368592  
1 1 1 -1  27 3  o 68.65990 0.8542764 47.01589       1.169526  44.86528       1.581051  49.61460       1.737983  -3.449181      1.708553  
1 1 1 -1  27 4  o 46.45004 0.7062526 21.59561       0.6560509 21.46833       0.9206292 21.72694       0.9351332 -0.2776604     1.412505  
1 1 1 -1  27 5  o 47.84594 0.7195271 22.81714       0.6870432 24.70891       1.010427  21.19041       0.9369763 3.673195       1.439054  
1 1 1 -1  27 6  o 68.97256 0.8552505 47.46882       1.176681  45.39595       1.595496  49.94080       1.742340  -3.285858      1.710501  
1 1 1 -1  27 7  o 121.7009 1.336224  148.6348       3.252385  148.5358       4.593717  148.7342       4.605438  -0.8040619E-01 2.672448  
1 1 1 -1  27 8  o 104.1605 1.166996  108.5649       2.427379  112.6476       3.553813  104.9945       3.323421  3.654823       2.333993  
1 1 1 -1  27 9  o 58.72482 0.7827565 34.52075       0.9190813 34.22173       1.282247  34.83671       1.318047  -0.5216179     1.565513  
1 1 1 -1  27 10 o 34.08558 0.7007074 11.49617       0.4728893 14.07124       0.7079076 9.421108       0.6354738 6.817572       1.401415  
1 1 1 -1  27 11 f 26.49786 0.7192481 7.015886       0.3807814 6.731144       0.5242994 7.333728       0.5539343 -1.135416      1.438496  
1 1 1 -1  27 12 o 137.7485 1.495792  190.6933       4.120724  191.7866       5.856769  189.6215       5.798830  0.7789917      2.991583  
1 1 1 -1  27 13 o 76.62944 0.9219724 58.75050       1.411674  60.77319       2.051556  56.93159       1.945482  2.498573       1.843945  
1 1 1 -1  27 14 o 39.58337 0.7025868 15.51475       0.5529270 17.98983       0.8301824 13.54147       0.7412642 5.613728       1.405174  
1 1 1 -1  27 15 o 45.99142 0.9824837 21.19434       0.9033967 20.92440       1.257947  21.48184       1.298195  -0.6025963     1.964967  
1 1 1 -1  27 16 f 38.69108 0.8332738 15.15059       0.6140712 15.52038       0.7651687 14.48148       1.029266  1.362141       1.666548  
1 1 1 -1  27 17 o 56.42611 0.9436907 31.22217       0.9936137 30.05954       1.194828  33.82884       1.789064  -3.286995      1.887381  
1 1 1 -1  27 18 o 33.26498 0.9370666 11.02444       0.6213138 10.25928       0.8376977 11.96003       0.9263102 -2.547989      1.874133  
1 1 1 -1  27 19 o 58.13775 1.082369  33.89619       1.257772  33.36267       1.743485  34.47519       1.816262  -0.9485970     2.164737  
1 1 1 -1  27 20 o 63.00130 1.137174  39.82526       1.432514  40.90295       2.052017  38.80078       2.000720  1.662197       2.274348  
1 1 1 -1  27 21 o 72.83305 1.252165  53.10708       1.819743  56.14133       2.687881  50.53943       2.472589  3.816277       2.504329  
1 1 1 -1  27 22 o 20.69380 0.9715121 4.266603       0.3930945 4.430004       0.6309884 4.162964       0.5025267 0.6309910      1.943024  
1 1 1 -1  27 23 o 81.08937 0.9746132 65.66965       1.575238  69.43401       2.347715  62.58727       2.124429  4.195709       1.949226  
1 1 1 -1  27 24 o 40.07537 0.7282056 16.06590       0.5832084 16.77563       0.8448198 15.41972       0.8061042 1.688175       1.456411  
1 1 1 -1  27 25 o 101.6212 1.667633  103.9083       3.378529  109.4965       5.025764  99.30085       4.563534  4.915253       3.335265  
1 1 1 -1  27 26 o 117.8228 1.889107  140.6424       4.449590  143.1191       6.408985  138.3376       6.182467  1.971214       3.778215  
1 1 1 -1  27 27 o 23.98695 1.137795  5.488233       0.4849647 5.170806       0.5607604 6.430124       0.9659540 -2.562342      2.275591  
1 1 1 -1  27 28 o 96.07875 1.111498  92.26999       2.126920  98.12659       3.188619  87.57539       2.854824  5.437508       2.222996  
1 1 1 -1  27 29 o 68.82336 0.8877329 47.38551       1.219738  49.74537       1.791909  45.34806       1.665012  3.178123       1.775466  
1 1 1 -1  27 30 o 63.18002 0.8512888 39.75843       1.071068  43.10664       1.608532  37.09140       1.435613  4.737850       1.702578  
1 1 1 -1  27 31 f 45.62138 0.7768868 20.69288       0.7056899 18.90909       0.9458168 22.93289       1.059889  -4.395176      1.553774  
1 1 1 -1  27 32 o 52.02534 0.7836573 27.14669       0.8149507 27.21585       1.172835  27.08211       1.133214  0.1230812      1.567315  
1 1 1 -1  27 33 o 68.27811 0.8886351 46.47361       1.208881  43.00889       1.625831  50.75752       1.807851  -5.645744      1.777270  
1 1 1 -1  27 34 o 14.51896 1.183406  2.108052       0.3406560 2.234110       0.5229936 2.015157       0.4489578 0.7380991      2.366812  
1 1 1 -1  27 35 f 69.50612 0.9024774 48.52996       1.254131  48.40936       1.795850  48.64478       1.752175  -0.1769943     1.804955  
1 1 1 -1  27 36 o 14.83549 1.206204  2.206187       0.3522778 2.290517       0.5535418 2.148783       0.4567008 0.4543581      2.412409  
1 1 1 -1  27 37 o 35.06190 0.7741064 12.36352       0.5416960 11.60540       0.7731500 13.09451       0.7591885 -2.125908      1.548213  
1 1 1 -1  27 38 o 16.23091 1.146439  2.675702       0.3677903 2.509590       0.5542327 2.806414       0.4916422 -0.9301157     2.292878  
1 1 1 -1  27 39 o 28.98874 0.9492032 8.332500       0.5398372 7.874510       0.6908039 9.050906       0.8651899 -1.991392      1.898406  
1 1 1 -1  27 40 o 38.37321 1.019297  14.78036       0.7808136 15.67121       1.147808  14.01302       1.065279  2.140099       2.038594  
1 1 1 -1  27 41 o 20.12227 1.281310  4.079793       0.5126731 4.239497       0.7735233 3.954681       0.6846436 0.6794167      2.562619  
1 1 1 -1  27 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  28 1  o 67.10277 0.8416667 45.09283       1.129294  44.70784       1.577241  45.49780       1.617652  -0.5858231     1.683333  
1 1 1 -1  28 2  o 100.3903 1.132484  100.5228       2.263857  95.46671       3.035370  106.8609       3.398465  -5.641083      2.264968  
1 1 1 -1  28 3  o 55.47927 0.7609165 30.79553       0.8439506 31.86044       1.213870  29.79913       1.174173  1.855232       1.521833  
1 1 1 -1  28 4  o 103.6180 1.162987  107.3161       2.403099  102.8839       3.252485  112.6443       3.566119  -4.679451      2.325973  
1 1 1 -1  28 5  o 23.77227 0.7587638 5.674028       0.3590457 6.334336       0.5092732 5.021472       0.5062748 2.761147       1.517528  
1 1 1 -1  28 6  o 53.35445 0.7477201 28.46566       0.7968980 27.76141       1.095041  29.25853       1.161896  -1.398769      1.495440  
1 1 1 -1  28 7  o 39.42136 0.6895335 15.45568       0.5418071 17.19739       0.8031851 14.00132       0.7339492 4.049644       1.379067  
1 1 1 -1  28 8  o 18.25178 0.8618787 3.342755       0.3140546 3.540637       0.4415081 3.140083       0.4468201 1.097700       1.723757  
1 1 1 -1  28 9  o 100.4909 1.136408  100.8139       2.275671  106.9716       3.398340  95.80790       3.064117  5.520782       2.272817  
1 1 1 -1  28 10 f 16.21438 0.9728535 2.640114       0.3145758 2.704991       0.4320268 2.566900       0.4589474 0.4282207      1.945707  
1 1 1 -1  28 11 o 38.58987 0.6989413 14.89305       0.5386669 16.06005       0.7754962 13.80505       0.7487858 2.919987       1.397883  
1 1 1 -1  28 12 o 72.72847 1.249119  53.12525       1.816888  53.41131       2.565677  52.83749       2.573274  0.3954239      2.498239  
1 1 1 -1  28 13 o 82.31352 0.9739141 67.88992       1.602533  69.49510       2.311103  66.40337       2.224052  1.869377       1.947828  
1 1 1 -1  28 14 o 24.37303 0.7643731 5.927509       0.3718345 5.468572       0.5089103 6.453091       0.5446100 -2.016855      1.528746  
1 1 1 -1  28 15 o 36.91667 0.7047181 13.60614       0.5188009 15.16022       0.7550290 12.21609       0.7140732 3.984516       1.409436  
1 1 1 -1  28 16 o 49.62675 0.7442347 24.24215       0.7314661 21.68305       0.9564046 27.84853       1.135362  -6.197605      1.488469  
1 1 1 -1  28 17 o 37.90216 0.7097501 14.38752       0.5377507 15.01028       0.7650911 13.77951       0.7559796 1.622902       1.419500  
1 1 1 -1  28 18 o 45.73286 0.7337000 20.63895       0.6660228 23.86637       1.018321  18.22630       0.8804472 6.154728       1.467400  
1 1 1 -1  28 19 o 96.24298 1.105738  93.00023       2.128250  92.41087       2.989316  93.60604       3.030713  -0.6154785     2.211477  
1 1 1 -1  28 20 o 49.41734 0.7534594 24.45819       0.7445099 23.91555       1.039787  25.02908       1.066514  -1.124172      1.506919  
1 1 1 -1  28 21 o 16.53325 1.025154  2.750319       0.3379269 2.509207       0.4790828 2.989066       0.4767275 -1.451505      2.050308  
1 1 1 -1  28 22 o 54.83194 1.160374  30.14045       1.270590  31.62879       1.860520  28.83964       1.739364  2.524624       2.320749  
1 1 1 -1  28 23 o 49.03931 1.140034  24.14104       1.117491  23.20521       1.550908  25.15152       1.611579  -1.975040      2.280069  
1 1 1 -1  28 24 f 21.13078 0.8828337 4.476480       0.3719756 4.961841       0.5343681 4.020195       0.5181143 2.226162       1.765667  
1 1 1 -1  28 25 o 23.02698 0.9647466 5.428948       0.4353970 6.175265       0.5893888 4.532423       0.6459843 3.574944       1.929493  
1 1 1 -1  28 26 o 41.87803 0.9041568 17.54057       0.7457460 17.27986       0.9700614 17.91729       1.166074  -0.7351837     1.808314  
1 1 1 -1  28 27 o 58.80857 1.101640  34.75374       1.295513  35.34639       1.852263  34.18618       1.812643  0.9798355      2.203280  
1 1 1 -1  28 28 o 24.58960 1.047883  6.073609       0.5149130 6.159924       0.7456604 5.994932       0.7119055 0.3297157      2.095766  
1 1 1 -1  28 29 o 79.51556 1.342252  63.61576       2.130622  66.52813       3.131706  61.10611       2.907122  3.356941       2.684505  
1 1 1 -1  28 30 o 42.07016 0.9789721 17.78358       0.8237017 17.88970       1.165639  17.67773       1.164142  0.2516708      1.957944  
1 1 1 -1  28 31 o 9.098583 1.943608  0.8337073      0.3769535 0.9502088      0.6008492 0.7580919      0.4840662 1.001618       3.887217  
1 1 1 -1  28 32 o 34.70627 0.9279425 12.20183       0.6382551 11.08814       0.9398293 13.15513       0.8695230 -2.989906      1.855885  
1 1 1 -1  28 33 o 36.47184 0.8750560 13.43167       0.6140757 13.08737       1.011209  13.63282       0.7729119 -0.7884865     1.750112  
1 1 1 -1  28 34 f 82.93549 1.094632  69.42347       1.796772  68.03454       2.730793  70.48380       2.386004  -1.552666      2.189265  
1 1 1 -1  28 35 o 39.59915 0.7779378 15.75186       0.6145774 15.57329       0.8987049 15.90872       0.8423200 -0.4332695     1.555876  
1 1 1 -1  28 36 f 12.10909 1.544752  1.570503       0.3553055 1.200401       0.5356565 1.861272       0.4747878 -2.938497      3.089504  
1 1 1 -1  28 37 o 10.57456 1.697387  1.167316       0.3479920 1.308408       0.5355464 1.064209       0.4578151 1.082291       3.394773  
1 1 1 -1  28 38 o 34.86131 1.020320  12.23371       0.7111864 12.55615       1.020552  11.92929       0.9916113 0.8918381      2.040639  
1 1 1 -1  28 39 o 30.79575 1.503769  0.000000       0.000000  ?              ?         9.559152       0.9261937 ?              ?         
1 1 1 -1  28 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  29 1  o 56.08467 0.7707075 30.94562       0.8549038 27.90584       1.112385  35.33156       1.336182  -6.602371      1.541415  
1 1 1 -1  29 2  o 46.66724 0.7161635 21.81369       0.6682426 21.94562       0.9357252 21.67638       0.9546341 0.2898521      1.432327  
1 1 1 -1  29 3  o 62.78372 0.8190899 38.76693       1.015904  35.10867       1.317075  44.14041       1.596251  -7.169117      1.638180  
1 1 1 -1  29 4  o 78.77087 0.9429458 62.18029       1.485110  63.44633       2.131657  60.98619       2.070214  1.555573       1.885892  
1 1 1 -1  29 5  o 28.59650 0.7191786 8.194242       0.4110667 8.340978       0.5746577 8.040483       0.5882528 0.5264244      1.438357  
1 1 1 -1  29 6  o 35.66175 0.6930361 12.72832       0.4939633 12.54786       0.6841398 12.92484       0.7139527 -0.5263901     1.386072  
1 1 1 -1  29 7  f 14.27288 1.090539  2.071379       0.3071565 2.342477       0.4221149 1.766299       0.4477909 2.021339       2.181077  
1 1 1 -1  29 8  o 55.04919 1.078554  30.39939       1.187232  31.25099       1.694871  29.57897       1.663564  1.515099       2.157108  
1 1 1 -1  29 9  o 83.54797 0.9877588 69.92522       1.648918  68.23766       2.272834  71.80043       2.395873  -2.119240      1.975518  
1 1 1 -1  29 10 o 102.1466 1.156085  104.2537       2.353354  110.6311       3.512874  99.06115       3.169796  5.620514       2.312170  
1 1 1 -1  29 11 f 36.88652 0.7095622 13.62379       0.5230823 13.53260       0.7248939 13.72286       0.7555587 -0.2554970     1.419124  
1 1 1 -1  29 12 f 62.35995 0.8217851 38.81967       1.021967  37.08760       1.383054  40.90276       1.516739  -3.046539      1.643570  
1 1 1 -1  29 13 o 48.56485 0.7394249 23.56636       0.7172635 24.99084       1.046198  22.30297       0.9852688 2.762070       1.478850  
1 1 1 -1  29 14 o 77.16434 0.9357089 59.45475       1.439358  56.63628       1.942822  62.88389       2.142986  -4.025932      1.871418  
1 1 1 -1  29 15 o 22.88359 0.8341349 5.267941       0.3761945 6.462590       0.5425131 4.161450       0.5221120 5.025869       1.668270  
1 1 1 -1  29 16 o 16.32206 1.141903  2.611765       0.3648496 2.986428       0.5931792 2.383769       0.4627319 1.827280       2.283806  
1 1 1 -1  29 17 o 52.04412 1.119132  27.10355       1.162559  29.11433       1.709175  25.37226       1.585945  3.577099       2.238264  
1 1 1 -1  29 18 o 70.98206 1.285189  50.69538       1.824308  50.98287       2.602169  50.41750       2.558313  0.3907089      2.570378  
1 1 1 -1  29 19 o 69.18282 1.269487  47.67556       1.744743  52.27852       2.662098  44.20949       2.310059  5.770950       2.538974  
1 1 1 -1  29 20 o 51.07306 0.9659600 26.47753       0.9223942 27.04580       1.127151  25.32544       1.604909  1.746288       1.931920  
1 1 1 -1  29 21 o 41.67401 0.7353545 17.40260       0.6128278 17.26336       0.8586862 17.54713       0.8748795 -0.3387794     1.470709  
1 1 1 -1  29 22 f 64.42625 0.8532644 41.45258       1.096557  39.24689       1.486217  44.08791       1.624528  -3.739803      1.706529  
1 1 1 -1  29 23 o 44.74119 0.7507854 20.05028       0.6715295 20.54669       0.9672800 19.58842       0.9330186 1.067127       1.501571  
1 1 1 -1  29 24 o 31.23328 0.7647551 9.746669       0.4768221 10.58484       0.6963983 9.006927       0.6542317 2.521055       1.529510  
1 1 1 -1  29 25 o 29.35658 0.7768759 8.643815       0.4560287 8.444881       0.6454272 8.842127       0.6444177 -0.6767159     1.553752  
1 1 1 -1  29 26 o 9.924463 1.559562  0.9963881      0.3184477 1.563218       0.4725549 0.5248373      0.4310127 5.046579       3.119123  
1 1 1 -1  29 27 o 21.88557 0.8958590 4.785548       0.3910373 5.301482       0.5745655 4.340374       0.5337120 2.189308       1.791718  
1 1 1 -1  29 28 o 23.08319 0.8857769 5.358356       0.4064206 4.621163       0.5682570 6.130316       0.5815029 -3.266874      1.771554  
1 1 1 -1  29 29 o 52.41192 0.7946094 27.42236       0.8305625 25.77068       1.123881  29.40986       1.232854  -3.455818      1.589219  
1 1 1 -1  29 30 o 48.54628 0.7808923 23.61275       0.7576332 24.59199       1.096909  22.71940       1.047695  1.921192       1.561785  
1 1 1 -1  29 31 o 17.10881 1.114604  3.030451       0.3688975 2.210440       0.5321867 3.788868       0.5118095 -4.617300      2.229207  
1 1 1 -1  29 32 o 41.86120 0.7673383 17.41855       0.6384733 19.07383       0.9709988 16.15775       0.8474367 3.462940       1.534677  
1 1 1 -1  29 33 o 59.18875 0.8381985 35.12106       0.9912059 33.11592       1.369984  37.32376       1.435891  -3.542271      1.676397  
1 1 1 -1  29 34 o 44.13374 0.7822382 19.56595       0.6898909 19.14599       0.9892501 19.96358       0.9626016 -0.9308815     1.564476  
1 1 1 -1  29 35 o 27.98707 0.8475941 7.730798       0.4696575 8.884897       0.7301812 6.916402       0.6133762 3.493748       1.695188  
1 1 1 -1  29 36 f 25.38887 1.284732  6.424506       0.5764865 6.729088       1.128443  6.316941       0.6705995 0.6686668      2.569464  
1 1 1 -1  29 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  29 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  30 1  o 28.81042 0.7253186 8.312311       0.4177946 8.220386       0.5821022 8.409979       0.6000060 -0.3275108     1.450637  
1 1 1 -1  30 2  o 34.78778 0.7184110 12.03078       0.4972192 13.91246       0.7366332 10.45596       0.6738958 4.962681       1.436822  
1 1 1 -1  30 3  o 40.70957 1.004082  16.62917       0.8173054 16.65617       1.143475  16.60097       1.168624  0.7078934E-01  2.008164  
1 1 1 -1  30 4  o 24.14417 0.8787048 5.927669       0.4178986 6.517948       0.5637239 5.207520       0.6226566 2.719843       1.757410  
1 1 1 -1  30 5  o 23.94866 0.7870629 5.742602       0.3765796 5.648862       0.5189553 5.846862       0.5473027 -0.4107113     1.574126  
1 1 1 -1  30 6  o 43.76391 0.7232053 19.01047       0.6297696 17.46219       0.8404089 20.99338       0.9510814 -4.024658      1.446411  
1 1 1 -1  30 7  f 68.39149 0.8686013 46.47780       1.180738  43.35028       1.567289  50.58246       1.795512  -5.263000      1.737203  
1 1 1 -1  30 8  o 82.57216 0.9827502 68.31688       1.621130  66.49585       2.229846  70.35847       2.361021  -2.322899      1.965500  
1 1 1 -1  30 9  o 38.94166 0.7114594 15.18850       0.5539063 15.77207       0.7894989 14.62278       0.7773266 1.474567       1.422919  
1 1 1 -1  30 10 o 70.80571 0.8834729 50.25735       1.250664  49.57016       1.741560  50.98913       1.797164  -0.9956818     1.766946  
1 1 1 -1  30 11 o 51.45172 0.7537759 26.41710       0.7736867 25.01845       1.049332  28.08319       1.145268  -2.968777      1.507552  
1 1 1 -1  30 12 o 4.657736 1.477139  -0.1894550     0.2854688 -0.2259595     0.3969650 -0.1503581     0.4108191 -0.2940578     2.954278  
1 1 1 -1  30 13 o 46.02602 0.7357984 21.08072       0.6748527 19.46557       0.9087723 23.06640       1.007638  -3.901901      1.471597  
1 1 1 -1  30 14 o 13.87605 1.872258  2.015102       0.4996724 1.998757       0.7281450 2.029650       0.6869408 -0.1372423     3.744515  
1 1 1 -1  30 15 f 43.51306 1.069140  19.00758       0.9298733 19.95801       1.330626  18.10043       1.299989  2.130013       2.138281  
1 1 1 -1  30 16 f 30.00388 0.9964507 9.316420       0.5419174 9.737278       0.6506539 8.363310       0.9791590 2.333996       1.992901  
1 1 1 -1  30 17 f 77.89615 0.9509944 60.89860       1.481517  61.32176       2.106698  60.48457       2.083853  0.5342331      1.901989  
1 1 1 -1  30 18 o 40.48109 0.7274114 16.34781       0.5871090 15.51478       0.7931997 17.35720       0.8731400 -2.267162      1.454823  
1 1 1 -1  30 19 o 33.49004 0.7383592 11.25126       0.4940148 11.81213       0.6968566 10.68461       0.7004423 1.683765       1.476718  
1 1 1 -1  30 20 o 18.49815 0.9789062 3.453850       0.3543256 4.413550       0.5132484 2.579978       0.4897605 4.952648       1.957812  
1 1 1 -1  30 21 o 46.89826 0.7518371 21.99239       0.7042174 20.87957       0.9658027 23.25567       1.029029  -2.525536      1.503674  
1 1 1 -1  30 22 o 97.39311 1.126626  95.27209       2.191684  98.59272       3.199452  92.33625       3.008382  3.175026       2.253253  
1 1 1 -1  30 23 o 34.55060 0.7631639 11.95445       0.5267747 11.19731       0.7309566 12.77257       0.7598255 -2.275772      1.526328  
1 1 1 -1  30 24 o 41.22195 0.7435286 17.00891       0.6124358 17.81681       0.8890335 16.27926       0.8448821 1.859177       1.487057  
1 1 1 -1  30 25 o 30.24465 0.7871442 9.163327       0.4747552 8.230441       0.6585698 10.17266       0.6850217 -3.207142      1.574288  
1 1 1 -1  30 26 o 50.71077 0.7869415 25.79396       0.7980490 26.21168       1.137991  25.38974       1.119461  0.8077278      1.573883  
1 1 1 -1  30 27 o 73.73248 0.9370240 54.62422       1.381728  54.26960       1.943571  54.98661       1.964717  -0.4823685     1.874048  
1 1 1 -1  30 28 o 56.79944 0.8208574 32.37822       0.9323508 32.73363       1.332288  32.03710       1.305215  0.6087151      1.641715  
1 1 1 -1  30 29 f 46.03413 0.7854633 21.25624       0.7229092 20.50688       1.009874  22.04380       1.035297  -1.665161      1.570927  
1 1 1 -1  30 30 o 13.50940 1.399355  1.908671       0.3604773 1.532764       0.5240951 2.246170       0.4965992 -2.825313      2.798709  
1 1 1 -1  30 31 o 36.40408 0.7948452 13.28109       0.5781190 14.12656       0.8363643 12.50752       0.8000141 2.217342       1.589690  
1 1 1 -1  30 32 o 28.05465 0.8225324 7.716740       0.4557732 9.220618       0.7156705 6.690646       0.5911537 4.485647       1.645065  
1 1 1 -1  30 33 o 10.24460 1.711439  1.034908       0.3432654 1.549447       0.5607353 0.7265109      0.4341142 3.770389       3.422877  
1 1 1 -1  30 34 f 18.60936 2.848925  4.248344       0.9408785 2.563981       1.839114  4.845475       1.095028  -6.317402      5.697850  
1 1 1 -1  30 35 o 56.28236 1.072338  31.98317       1.201679  32.55590       1.632831  31.30643       1.774908  1.147091       2.144677  
1 1 1 -1  30 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  31 1  o 84.13612 0.9986132 70.48663       1.671150  76.42611       2.530107  65.89012       2.225765  6.219986       1.997226  
1 1 1 -1  31 2  o 62.63226 0.8270785 39.29194       1.035494  40.60106       1.493904  38.08133       1.436595  2.005081       1.654157  
1 1 1 -1  31 3  o 28.89473 0.7534240 8.306570       0.4317042 9.975650       0.6383609 6.899907       0.5860338 5.316996       1.506848  
1 1 1 -1  31 4  o 40.01180 0.7102905 16.03315       0.5682408 15.73682       0.7922195 16.34717       0.8155144 -0.7604485     1.420581  
1 1 1 -1  31 5  o 22.69431 0.8142361 5.177903       0.3667113 6.000353       0.5241267 4.389202       0.5132602 3.548485       1.628472  
1 1 1 -1  31 6  o 53.96567 0.7676806 29.10821       0.8271144 27.87288       1.129534  30.53641       1.214516  -2.458858      1.535361  
1 1 1 -1  31 7  o 58.35997 0.7981595 33.79477       0.9255904 31.22053       1.226717  37.19754       1.410382  -5.100590      1.596319  
1 1 1 -1  31 8  o 57.00150 0.7892043 32.41562       0.8969109 30.69089       1.211403  34.50816       1.334336  -3.334862      1.578409  
1 1 1 -1  31 9  o 42.03362 0.8906829 17.67646       0.7075613 17.87065       1.222811  17.57871       0.8675488 0.3030891      1.781366  
1 1 1 -1  31 10 o 48.71882 1.085618  23.80018       1.056615  22.81618       1.452953  24.90467       1.539344  -2.129929      2.171236  
1 1 1 -1  31 11 o 80.03182 1.381778  64.55422       2.211723  64.58439       3.126948  64.52402       3.128749  0.3808594E-01  2.763555  
1 1 1 -1  31 12 o 52.46219 0.7768683 27.43770       0.8116699 26.02253       1.088979  29.20660       1.217492  -3.020039      1.553737  
1 1 1 -1  31 13 f 56.44070 0.7932333 31.90285       0.8946567 31.11322       1.234907  32.77512       1.297915  -1.464920      1.586467  
1 1 1 -1  31 14 o 35.46360 0.7360412 12.52093       0.5202690 11.34826       0.7044031 13.92853       0.7717420 -3.630527      1.472082  
1 1 1 -1  31 15 o 25.32835 0.7969812 6.428096       0.4032593 6.007304       0.5624349 6.873261       0.5784938 -1.707491      1.593962  
1 1 1 -1  31 16 o 37.25049 0.7316459 13.86759       0.5442184 14.92663       0.7939341 12.92894       0.7474496 2.675941       1.463292  
1 1 1 -1  31 17 o 27.46725 0.7907271 7.432999       0.4278166 9.534845       0.6499121 5.825809       0.5683131 6.740948       1.581454  
1 1 1 -1  31 18 o 55.05698 0.7899604 30.40531       0.8698476 30.54288       1.233570  30.26926       1.226759  0.2475471      1.579921  
1 1 1 -1  31 19 f 61.64200 0.8330203 38.12467       1.026927  38.58532       1.460968  37.67480       1.443771  0.7360306      1.666041  
1 1 1 -1  31 20 o 21.46677 0.8892799 4.623108       0.3816055 4.528096       0.5295188 4.725774       0.5504318 -0.4571457     1.778560  
1 1 1 -1  31 21 o 39.39196 0.7421091 15.38309       0.5813029 17.63860       0.8765131 13.61209       0.7766832 5.097656       1.484218  
1 1 1 -1  31 22 o 17.64082 0.9995764 3.121348       0.3518856 3.428554       0.5095438 2.841258       0.4865361 1.660398       1.999153  
1 1 1 -1  31 23 o 50.12702 0.7747898 25.19774       0.7765903 25.84651       1.111295  24.57854       1.085683  1.260975       1.549580  
1 1 1 -1  31 24 o 22.18041 0.8920928 4.912664       0.3921008 5.923648       0.5775214 4.048135       0.5340543 4.220236       1.784186  
1 1 1 -1  31 25 o 35.85310 0.7730411 12.89474       0.5542475 12.65066       0.7768641 13.14777       0.7909752 -0.6910744     1.546082  
1 1 1 -1  31 26 o 76.51088 0.9562969 58.86111       1.463340  58.99726       2.071455  58.72547       2.067502  0.1768112      1.912594  
1 1 1 -1  31 27 o 41.86198 0.7766772 17.59241       0.6502165 17.41331       0.9217404 17.76982       0.9173651 -0.4265709     1.553354  
1 1 1 -1  31 28 o 61.42083 0.8536146 37.75017       1.046236  40.08980       1.544274  35.76518       1.422428  3.497559       1.707229  
1 1 1 -1  31 29 o 52.89646 0.8166852 28.02565       0.8627813 29.57498       1.261302  26.66319       1.182792  2.737797       1.633370  
1 1 1 -1  31 30 o 40.91941 0.8680090 16.50659       0.6937995 18.29046       1.130557  15.42893       0.8787220 3.444656       1.736018  
1 1 1 -1  31 31 o 27.71254 1.497312  7.805591       0.8295013 8.041620       1.169792  7.566878       1.176420  0.8590450      2.994623  
1 1 1 -1  31 32 o 48.07436 0.7988507 23.18491       0.7665473 23.65134       1.124784  22.78041       1.047464  0.8906593      1.597701  
1 1 1 -1  31 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  32 1  o 34.30182 0.7431047 11.79693       0.5091175 11.86288       0.7031716 11.72427       0.7380993 0.2059021      1.486209  
1 1 1 -1  32 2  o 43.54088 0.7369468 18.92192       0.6402646 20.74526       0.9384553 17.33416       0.8757365 3.910233       1.473894  
1 1 1 -1  32 3  o 53.74279 0.9553190 29.15799       0.9665630 29.48774       1.185625  28.50455       1.668991  0.9826279      1.910638  
1 1 1 -1  32 4  o 53.86962 1.596028  0.000000       0.000000  ?              ?         29.17680       1.719549  ?              ?         
1 1 1 -1  32 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  32 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  32 7  o 63.67681 1.194518  40.67240       1.518757  43.31446       2.225338  38.36878       2.077925  3.855797       2.389036  
1 1 1 -1  32 8  o 56.57540 0.7932355 32.03927       0.8964089 30.97243       1.230451  33.24589       1.308580  -1.999294      1.586471  
1 1 1 -1  32 9  o 46.59449 0.7486702 21.76241       0.6973919 22.64356       0.9938436 20.90764       0.9788498 1.860962       1.497340  
1 1 1 -1  32 10 o 69.95796 0.8866553 49.12160       1.240535  49.62285       1.761431  48.62831       1.747415  0.7087326      1.773311  
1 1 1 -1  32 11 o 45.61016 0.7494202 20.76967       0.6819565 22.84876       0.9998595 18.96119       0.9325220 4.253056       1.498840  
1 1 1 -1  32 12 o 38.29202 0.7323860 14.67053       0.5601864 14.09619       0.7689934 15.31991       0.8176942 -1.591637      1.464772  
1 1 1 -1  32 13 o 10.87119 1.405326  1.293655       0.3148953 2.475419       0.4535002 0.1933845      0.4375845 9.643110       2.810651  
1 1 1 -1  32 14 o 11.32530 1.467733  1.347311       0.3199682 1.684684       0.4479596 0.9958946      0.4571882 3.211940       2.935467  
1 1 1 -1  32 15 o 26.59702 0.7958254 7.098584       0.4231460 7.184254       0.5919306 7.009054       0.6051253 0.3312130      1.591651  
1 1 1 -1  32 16 o 59.60634 0.8239099 35.54917       0.9807402 37.61164       1.435112  33.74192       1.343380  3.232620       1.647820  
1 1 1 -1  32 17 o 63.37655 0.8460659 40.25964       1.071616  41.72110       1.552516  38.92972       1.481001  2.191250       1.692132  
1 1 1 -1  32 18 o 50.67799 0.7759829 25.72005       0.7858271 26.98009       1.139319  24.57667       1.085302  2.363422       1.551966  
1 1 1 -1  32 19 o 74.86715 0.9357853 56.31698       1.401147  56.69791       1.991215  55.94338       1.971968  0.5004272      1.871571  
1 1 1 -1  32 20 o 63.09760 0.8505497 39.97171       1.073282  39.71022       1.507519  40.24049       1.528398  -0.4166756     1.701099  
1 1 1 -1  32 21 o 57.23154 0.8171167 32.87860       0.9352956 32.90512       1.321957  32.85202       1.323460  0.4664230E-01  1.634233  
1 1 1 -1  32 22 o 34.86792 0.7699060 12.14085       0.5355850 13.21264       0.7898973 11.22880       0.7286659 2.834885       1.539812  
1 1 1 -1  32 23 f 80.08499 0.9834545 64.50190       1.574704  65.49088       2.261343  63.57085       2.194114  1.184013       1.966909  
1 1 1 -1  32 24 o 9.869957 1.708688  1.020284       0.3348996 1.197162       0.4962871 0.8723954      0.4537987 1.542224       3.417376  
1 1 1 -1  32 25 o 8.591723 1.813625  0.7573438      0.3355176 0.8643813      0.4921690 0.6644116      0.4585953 0.9838390      3.627250  
1 1 1 -1  32 26 o 20.25107 1.009950  4.131139       0.4083381 3.832436       0.5750333 4.434975       0.5799524 -1.486532      2.019899  
1 1 1 -1  32 27 o 39.65102 1.061999  16.55405       0.7765561 13.87556       1.332111  17.93284       0.9557532 -5.208611      2.123998  
1 1 1 -1  32 28 o 25.51095 1.587362  6.587163       0.8068937 7.432772       1.188207  5.863470       1.099221  3.040133       3.174724  
1 1 1 -1  32 29 o 48.07904 0.8055831 23.21002       0.7744313 23.64886       1.110849  22.79506       1.080216  0.8818703      1.611166  
1 1 1 -1  32 30 o 43.03255 2.569446  0.000000       0.000000  ?              ?         18.94813       2.211397  ?              ?         
1 1 1 -1  33 1  o 8.530180 1.516244  0.7095169      0.3693217 1.463326       0.4564394 -0.7197399     0.6285035 7.025653       3.032489  
1 1 1 -1  33 2  o 98.29975 1.131406  97.18738       2.223156  95.57206       3.084705  98.93316       3.206889  -1.685242      2.262812  
1 1 1 -1  33 3  o 31.92404 0.7430505 10.14782       0.4716216 11.84447       0.6968827 8.714103       0.6406120 4.895489       1.486101  
1 1 1 -1  33 4  o 50.82113 0.7641333 25.80795       0.7747185 24.63446       1.051087  27.20375       1.146334  -2.514938      1.528267  
1 1 1 -1  33 5  o 71.89880 0.9056123 51.72705       1.299577  54.69308       1.914423  49.19212       1.769839  3.802376       1.811225  
1 1 1 -1  33 6  o 130.5240 1.441116  172.0721       3.761047  174.7523       5.393466  169.5352       5.247388  1.961319       2.882233  
1 1 1 -1  33 7  o 28.42868 0.7869102 8.122980       0.4463008 8.739409       0.6290346 7.498129       0.6333165 2.183746       1.573820  
1 1 1 -1  33 8  o 69.96901 0.8916250 49.01631       1.245786  51.63966       1.824952  46.72703       1.704795  3.491501       1.783250  
1 1 1 -1  33 9  o 12.60862 1.373905  1.604055       0.3345515 1.295133       0.4471388 1.996926       0.5042471 -2.930864      2.747811  
1 1 1 -1  33 10 o 96.95905 1.125560  94.41500       2.179514  98.40468       3.188632  90.91641       2.985940  3.820068       2.251120  
1 1 1 -1  33 11 o 27.09044 0.9499155 7.226548       0.4904070 6.910460       0.6016427 7.852345       0.8465487 -1.695562      1.899831  
1 1 1 -1  33 12 o 49.05246 1.056088  24.12750       1.034372  25.96719       1.510944  22.50484       1.419026  3.510864       2.112177  
1 1 1 -1  33 13 o 29.72246 1.041734  8.847634       0.6178911 8.217664       0.8421593 9.582162       0.9093652 -2.281826      2.083467  
1 1 1 -1  33 14 o 82.36685 1.398503  68.55565       2.303273  69.98670       3.300765  67.19753       3.215547  1.669579       2.797006  
1 1 1 -1  33 15 o 50.35571 1.056666  25.34228       1.060451  27.79365       1.580923  23.33706       1.429839  4.393272       2.113332  
1 1 1 -1  33 16 o 24.01293 0.9958972 5.430824       0.4616853 7.357534       0.7885444 4.425843       0.5695043 6.060328       1.991794  
1 1 1 -1  33 17 o 30.42205 0.7972143 9.172488       0.4815627 10.84275       0.7254273 7.856545       0.6439030 4.894405       1.594429  
1 1 1 -1  33 18 o 47.98773 0.7811816 23.11051       0.7496564 22.73273       1.050821  23.50204       1.069781  -0.7983093     1.562363  
1 1 1 -1  33 19 o 29.76677 0.7964867 8.877865       0.4736454 9.458327       0.6866925 8.351095       0.6541624 1.854061       1.592973  
1 1 1 -1  33 20 o 67.16972 0.8864430 45.31816       1.190536  46.24624       1.707522  44.44019       1.660795  1.335258       1.772886  
1 1 1 -1  33 21 o 63.00833 0.8634815 39.82169       1.087173  41.51392       1.578185  38.29337       1.499799  2.540546       1.726963  
1 1 1 -1  33 22 o 17.95828 1.052529  3.244736       0.3743495 3.884839       0.5437543 2.667987       0.5161445 3.381376       2.105059  
1 1 1 -1  33 23 f 44.64408 0.8583032 19.74862       0.7508026 21.39365       1.207586  18.71201       0.9586040 2.952492       1.716606  
1 1 1 -1  33 24 o 46.05612 1.213663  21.41270       1.117335  20.50530       1.555257  22.38061       1.606278  -2.020409      2.427326  
1 1 1 -1  33 25 o 73.62047 1.186019  54.77233       1.629276  54.83499       1.977554  54.63991       2.874732  0.3934708      2.372038  
1 1 1 -1  33 26 o 17.29707 1.159113  3.048169       0.3959652 2.519310       0.5634312 3.564264       0.5565903 -3.022519      2.318226  
1 1 1 -1  33 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  34 1  o 57.01580 0.8028215 32.62701       0.9154271 32.94550       1.293402  32.30733       1.295820  0.5600281      1.605643  
1 1 1 -1  34 2  o 6.316005 1.729370  0.2451161      0.3180765 0.3955965      0.4385824 0.7814758E-01  0.4619857 1.062552       3.458741  
1 1 1 -1  34 3  o 33.26295 0.7609818 11.11110       0.5055889 11.35656       0.7021934 10.84686       0.7285569 0.7701492      1.521964  
1 1 1 -1  34 4  o 42.25426 0.7500691 17.82745       0.6320397 16.85784       0.8549889 18.99576       0.9385170 -2.517357      1.500138  
1 1 1 -1  34 5  o 51.82977 0.7799196 26.95205       0.8082350 26.81882       1.128506  27.09235       1.158103  -0.2592735     1.559839  
1 1 1 -1  34 6  o 56.96680 0.8066280 32.57040       0.9188536 32.51628       1.286767  32.62671       1.312526  -0.9276962E-01 1.613256  
1 1 1 -1  34 7  o 47.18004 0.7534456 22.26161       0.7098406 23.83126       1.037455  20.87997       0.9733421 3.118008       1.506891  
1 1 1 -1  34 8  o 5.948980 1.708932  0.1473056      0.3180357 0.1040406      0.4476688 0.1913927      0.4519019 -0.3217664     3.417863  
1 1 1 -1  34 9  o 28.96896 0.7787019 8.426659       0.4508342 8.770371       0.6362357 8.080037       0.6389247 1.191938       1.557404  
1 1 1 -1  34 10 o 22.10699 0.8841123 4.907805       0.3907909 5.069737       0.5590513 4.753070       0.5464865 0.7138557      1.768225  
1 1 1 -1  34 11 o 61.98631 0.8356504 38.55644       1.035403  37.64192       1.435371  39.54853       1.495012  -1.527008      1.671301  
1 1 1 -1  34 12 o 13.58909 1.250973  1.864492       0.3398314 1.786675       0.4769117 1.944760       0.4843632 -0.5795813     2.501946  
1 1 1 -1  34 13 o 58.18294 0.8176640 33.85097       0.9490259 32.05660       1.286784  35.99104       1.405282  -3.359489      1.635328  
1 1 1 -1  34 14 f 9.258975 1.567326  0.8409528      0.3311481 1.545012       0.4793479 0.1981833      0.4580088 6.197135       3.134653  
1 1 1 -1  34 15 o 37.01191 0.7594573 13.61820       0.5593940 12.05637       0.7521853 15.55099       0.8367616 -4.706745      1.518915  
1 1 1 -1  34 16 o 34.36729 0.7785613 11.74766       0.5315259 13.86311       0.7910617 10.00654       0.7176685 5.597998       1.557123  
1 1 1 -1  34 17 o 8.577666 1.745084  0.7532094      0.3213953 0.9815991      0.4677639 0.5489686      0.4423437 2.103456       3.490169  
1 1 1 -1  34 18 o 23.66247 0.8865554 5.626962       0.4192086 5.315967       0.5873041 5.949987       0.5985571 -1.337362      1.773111  
1 1 1 -1  34 19 f 32.70358 0.8609197 10.76669       0.5566187 10.64011       0.8516670 10.86108       0.7354204 -0.3623428     1.721839  
1 1 1 -1  34 20 o 23.51884 1.476009  5.614578       0.6940505 5.725658       0.9973347 5.510267       0.9664644 0.4464035      2.952017  
1 1 1 -1  34 21 o 47.11753 1.003279  21.90144       0.8652246 21.25561       1.026232  23.48900       1.608991  -2.227470      2.006558  
1 1 1 -1  34 22 o 20.33656 1.094647  4.127604       0.4418597 4.507110       0.6771417 3.846176       0.5831150 1.599823       2.189295  
1 1 1 -1  34 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  35 1  o 7.770219 1.730479  0.5746648      0.3240394 0.9114813      0.4494534 0.2100901      0.4676073 3.039073       3.460957  
1 1 1 -1  35 2  o 42.49902 0.7525519 18.09563       0.6389225 17.53333       0.8783726 18.72743       0.9310742 -1.396114      1.505104  
1 1 1 -1  35 3  o 49.02676 0.7753928 23.99639       0.7580023 22.47540       1.024498  25.83610       1.126734  -3.409908      1.550786  
1 1 1 -1  35 4  o 53.68970 0.7952935 28.93331       0.8538753 29.54527       1.217327  28.34061       1.198029  1.118477       1.590587  
1 1 1 -1  35 5  o 15.08745 1.178626  2.280033       0.3533975 1.946764       0.4801166 2.674098       0.5220747 -2.399465      2.357252  
1 1 1 -1  35 6  o 38.82609 0.7588055 15.08780       0.5876300 16.74358       0.8536810 13.59676       0.8100992 4.045082       1.517611  
1 1 1 -1  35 7  o 63.42731 0.8540636 40.36247       1.082670  41.98974       1.566433  38.87408       1.498104  2.442974       1.708127  
1 1 1 -1  35 8  o 67.15033 0.8811223 45.31658       1.183332  45.67605       1.675092  44.95848       1.671880  0.5336533      1.762245  
1 1 1 -1  35 9  o 48.23170 0.7779837 23.33730       0.7501306 24.32364       1.076074  22.40487       1.046245  1.983784       1.555967  
1 1 1 -1  35 10 o 40.37537 0.7638860 16.26265       0.6147407 15.13831       0.8287362 17.63817       0.9166448 -3.080139      1.527772  
1 1 1 -1  35 11 o 24.39215 0.8641127 5.979243       0.4215049 5.961880       0.5913391 5.997178       0.6009737 -0.7038307E-01 1.728225  
1 1 1 -1  35 12 o 45.08876 0.7751858 20.36118       0.6978530 22.09591       1.013611  18.79791       0.9622197 3.647583       1.550372  
1 1 1 -1  35 13 o 38.78944 0.7619154 15.11257       0.5908890 15.39402       0.8304631 14.82398       0.8409215 0.7367630      1.523831  
1 1 1 -1  35 14 o 48.20854 0.7810197 23.32576       0.7526959 24.32202       1.079136  22.38186       1.050391  2.006592       1.562039  
1 1 1 -1  35 15 o 12.58662 1.847375  1.343683       0.4349573 2.685107       0.8314925 0.8383362      0.5103524 7.224752       3.694750  
1 1 1 -1  35 16 o 51.04551 1.168374  26.18189       1.189801  28.05740       1.760412  24.60475       1.614327  3.340164       2.336747  
1 1 1 -1  35 17 o 39.99181 1.016420  16.01808       0.8098541 17.11178       1.211615  15.13484       1.088815  2.441078       2.032841  
1 1 1 -1  35 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  36 1  o 5.712702 1.679938  0.5708718E-01  0.3250671 0.2370780      0.4407378 -0.1576240     0.4813738 0.9853482      3.359877  
1 1 1 -1  36 2  o 22.04216 0.9468084 4.930157       0.4103082 6.041095       0.5855160 3.858207       0.5751498 4.949202       1.893617  
1 1 1 -1  36 3  o 20.07720 0.9930546 4.081928       0.3964675 4.414506       0.5485498 3.718189       0.5736732 1.740307       1.986109  
1 1 1 -1  36 4  o 18.93085 1.030156  3.598128       0.3891366 3.279193       0.5345338 3.957738       0.5675977 -1.783701      2.060311  
1 1 1 -1  36 5  o 91.26144 1.078967  83.96474       1.969324  83.95915       2.776400  83.97038       2.793771  -0.1510620E-02 2.157935  
1 1 1 -1  36 6  f 72.56889 0.9251847 52.92799       1.342155  54.58775       1.934536  51.38765       1.863636  2.188759       1.850369  
1 1 1 -1  36 7  o 34.31746 0.7830856 11.80733       0.5363097 12.94446       0.7744072 10.75929       0.7434523 3.177841       1.566171  
1 1 1 -1  36 8  o 71.17582 0.9173769 50.95462       1.305840  50.99694       1.838326  50.91151       1.855265  0.6381226E-01  1.834754  
1 1 1 -1  36 9  o 18.22877 1.792322  3.849156       0.4996129 2.767110       1.023252  4.187860       0.5724922 -4.331745      3.584644  
1 1 1 -1  36 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  36 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 -1  36 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   0  2  o 153.0430 3.226686  234.6008       9.866655  234.6008       9.866655  234.6008       9.866655  -0.000000      0.000000  
1 1 1 0   0  3  o 120.9584 1.823669  146.2707       4.401092  151.3094       6.433358  141.8381       6.033988  -0.000000      0.000000  
1 1 1 0   0  4  o 194.3747 2.894578  377.8178       11.21796  388.3747       16.49509  368.7337       15.30127  -0.000000      0.000000  
1 1 1 0   0  5  o 169.3369 2.520292  286.7750       8.516814  296.0717       12.41960  278.5222       11.70163  -0.000000      0.000000  
1 1 1 0   0  6  o 205.4853 3.047408  412.3496       12.24174  375.2805       15.51002  473.5971       19.93656  -0.000000      0.000000  
1 1 1 0   0  7  o 305.1326 4.503344  904.1281       26.71785  816.2998       33.48100  1058.121       44.33342  -0.000000      0.000000  
1 1 1 0   0  8  o 63.19214 1.041803  39.99466       1.314952  40.34660       1.875826  39.65462       1.843831  -0.000000      0.000000  
1 1 1 0   0  9  o 31.00713 0.6715945 9.636996       0.4154812 9.813368       0.5971764 9.471524       0.5784302 -0.000000      0.000000  
1 1 1 0   0  10 o 121.6169 1.838479  147.1826       4.443583  139.4793       5.929234  157.0529       6.711584  -0.000000      0.000000  
1 1 1 0   0  11 o 244.1420 3.612530  594.9529       17.56761  569.9753       23.74709  625.1467       26.10927  -0.000000      0.000000  
1 1 1 0   0  12 o 347.3902 5.112356  1204.557       35.34782  1152.929       47.55633  1268.291       52.83862  -0.000000      0.000000  
1 1 1 0   0  13 o 368.1472 5.418593  1355.071       39.76291  1308.934       54.04978  1409.497       58.70469  -0.000000      0.000000  
1 1 1 0   0  14 o 177.1047 2.633347  313.9924       9.314422  319.1987       13.40823  309.1367       12.94894  -0.000000      0.000000  
1 1 1 0   0  15 o 446.5107 6.561531  1996.852       58.49473  1956.219       80.85685  2041.468       84.72688  -0.000000      0.000000  
1 1 1 0   0  16 o 837.7952 12.32266  7053.520       206.2258  6969.624       287.7961  7142.062       295.6574  -0.000000      0.000000  
1 1 1 0   0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   0  18 o 224.8535 3.327492  506.3169       14.94674  511.1483       21.37678  501.6955       20.90681  -0.000000      0.000000  
1 1 1 0   0  19 o 418.5748 6.161280  1736.667       51.02650  1625.644       66.82854  1891.885       79.01820  -0.000000      0.000000  
1 1 1 0   0  20 o 429.8151 6.330462  1851.753       54.35606  1831.211       76.00230  1873.262       77.77035  -0.000000      0.000000  
1 1 1 0   0  21 o 640.8306 9.422232  4116.160       120.4119  3987.592       164.3075  4265.314       176.9732  -0.000000      0.000000  
1 1 1 0   0  22 o 389.4499 5.744704  1516.268       44.59799  1458.742       60.62795  1584.101       65.83556  -0.000000      0.000000  
1 1 1 0   0  23 o 399.9268 5.885362  1604.151       47.02818  1598.148       66.29097  1610.233       66.72695  -0.000000      0.000000  
1 1 1 0   0  24 o 396.2216 5.876270  1563.405       46.14471  1488.880       60.90804  1663.812       70.69775  -0.000000      0.000000  
1 1 1 0   0  25 o 73.36356 1.223485  53.71936       1.789356  50.79876       2.438107  57.12898       2.634330  -0.000000      0.000000  
1 1 1 0   0  26 o 12.40125 1.096354  1.581351       0.2700157 1.564026       0.3920949 1.596979       0.3723868 -0.000000      0.000000  
1 1 1 0   0  27 o 248.0529 3.675739  616.5854       18.20957  626.4012       26.22216  607.4431       25.30667  -0.000000      0.000000  
1 1 1 0   0  28 o 179.3969 2.677388  322.3339       9.591973  327.9805       13.82827  317.0976       13.31640  -0.000000      0.000000  
1 1 1 0   0  29 o 127.9446 1.951200  163.9036       4.985313  161.2005       6.922373  166.8162       7.185586  -0.000000      0.000000  
1 1 1 0   0  30 o 217.0976 3.225734  472.4821       13.99204  470.6395       19.72779  474.3472       19.84822  -0.000000      0.000000  
1 1 1 0   0  31 o 158.4087 2.378747  251.4510       7.528711  251.1359       10.64254  251.7668       10.65188  -0.000000      0.000000  
1 1 1 0   0  32 o 54.68135 1.010632  29.96744       1.103523  29.71959       1.563964  30.21317       1.557291  -0.000000      0.000000  
1 1 1 0   0  33 o 86.29787 1.385087  74.60635       2.387771  74.23751       3.359163  74.98303       3.394754  -0.000000      0.000000  
1 1 1 0   0  34 o 106.8889 1.662917  114.4698       3.551104  114.3350       5.014122  114.6055       5.029955  -0.000000      0.000000  
1 1 1 0   0  35 o 53.48946 1.008135  28.67286       1.076692  28.32061       1.509922  29.03727       1.535752  -0.000000      0.000000  
1 1 1 0   0  36 o 142.4294 2.159838  203.2606       6.143935  200.0430       8.550321  206.6956       8.834310  -0.000000      0.000000  
1 1 1 0   0  37 o 107.0419 1.667400  114.8124       3.565308  116.0326       5.092601  113.6394       4.993085  -0.000000      0.000000  
1 1 1 0   0  38 o 34.11170 0.9038594 11.68448       0.6146602 11.45282       0.8604865 11.92584       0.8783090 -0.000000      0.000000  
1 1 1 0   0  39 o 22.23947 1.001601  5.011007       0.4401727 5.547654       0.6291564 4.496491       0.6160470 -0.000000      0.000000  
1 1 1 0   0  40 o 53.61417 1.020762  28.77546       1.091706  29.83146       1.587792  27.82864       1.503467  -0.000000      0.000000  
1 1 1 0   0  41 o 34.61920 1.180218  12.03774       0.7441773 11.97929       0.8883241 12.17529       1.362758  -0.000000      0.000000  
1 1 1 0   0  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   0  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   0  44 o 30.85023 1.363469  9.579738       0.8377307 9.579738       0.8377307 9.579738       0.8377307 -0.000000      0.000000  
1 1 1 0   0  45 o 11.21871 1.901062  1.549402       0.3729569 2.293345       0.5335963 0.8388250      0.5214933 -0.000000      0.000000  
1 1 1 0   0  46 o 45.77974 1.267256  20.08081       1.034170  23.34397       2.034022  18.94317       1.200987  -0.000000      0.000000  
1 1 1 0   0  47 f 41.67249 0.9998768 17.46053       0.8303330 17.00205       1.192187  17.89243       1.157134  -0.000000      0.000000  
1 1 1 0   0  48 o 67.01144 1.207818  45.04494       1.615815  43.40999       2.256569  46.76530       2.314758  -0.000000      0.000000  
1 1 1 0   0  49 o 39.03720 1.030564  15.23088       0.7976854 16.18317       1.206244  14.49077       1.063404  -0.000000      0.000000  
1 1 1 0   0  50 o 36.99677 1.033533  13.73280       0.7575642 14.13220       1.142427  13.41934       1.012090  -0.000000      0.000000  
1 1 1 0   0  51 o 7.782570 2.572616  0.7982948      0.4760847 1.351812       0.7420035 0.4109730      0.6206921 -0.000000      0.000000  
1 1 1 0   0  52 o 8.056286 2.546434  0.9704309      0.4586722 0.6669338      0.7454370 1.155344       0.5818587 -0.000000      0.000000  
1 1 1 0   0  53 o 25.91236 1.215978  6.822160       0.6206843 6.818529       0.9297199 6.825081       0.8336738 -0.000000      0.000000  
1 1 1 0   0  54 o 51.59735 1.116998  26.75687       1.147417  26.89591       1.685232  26.63671       1.566636  -0.000000      0.000000  
1 1 1 0   0  55 o 86.45687 1.467196  75.15781       2.530343  76.94763       3.691680  73.57191       3.475029  -0.000000      0.000000  
1 1 1 0   0  56 o 24.09724 1.364709  5.875040       0.6373183 6.292218       1.017039  5.605302       0.8178002 -0.000000      0.000000  
1 1 1 0   0  57 o 7.698386 2.804026  0.8870046      0.5419337 0.9092715      0.8359483 0.8708621      0.7117625 -0.000000      0.000000  
1 1 1 0   0  58 o 24.46957 1.429140  6.061067       0.6826167 6.681206       1.063925  5.627168       0.8899394 -0.000000      0.000000  
1 1 1 0   0  59 o 34.29480 1.225745  12.00206       0.8290108 10.68061       1.202238  13.19999       1.144676  -0.000000      0.000000  
1 1 1 0   0  60 o 12.67216 5.294520  2.338103       1.335896  2.338103       1.335896  2.338103       1.335896  -0.000000      0.000000  
1 1 1 0   0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   0  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   1  1  f 60.09022 0.8665665 35.10868       0.9533323 33.71547       1.128100  38.58949       1.783118  -4.053398      1.733133  
1 1 1 0   1  2  f 124.1220 1.873353  153.4170       4.635066  145.9644       6.253642  162.5018       6.904532  -6.657021      3.746706  
1 1 1 0   1  3  o 181.3312 2.690145  323.3030       9.604692  298.5999       12.35564  361.0253       15.26820  -17.18266      5.380291  
1 1 1 0   1  4  o 219.4881 3.243099  482.2682       14.23581  486.1538       20.24879  478.4707       20.01816  1.747345       6.486199  
1 1 1 0   1  5  o 211.5943 3.138817  434.2046       12.94305  509.7217       21.39975  390.6453       16.25275  28.07556       6.277633  
1 1 1 0   1  6  o 230.4732 2.946794  530.2160       12.75266  535.9221       22.32897  527.4538       15.53570  1.761581       5.893588  
1 1 1 0   1  7  o 356.5599 3.720879  1248.644       26.08043  1149.434       33.40970  1403.413       41.72867  -35.49719      7.441757  
1 1 1 0   1  8  o 59.26647 0.6960942 32.36226       0.7794043 43.87928       1.415115  27.34731       0.9338025 13.94587       1.392188  
1 1 1 0   1  9  o 71.13615 0.8005272 50.60700       1.138928  50.56882       1.611182  50.64513       1.610193  -0.5364227E-01 1.601054  
1 1 1 0   1  10 o 204.2665 2.140993  416.8259       8.735474  429.2031       12.74531  405.8607       11.99633  5.707733       4.281986  
1 1 1 0   1  11 o 464.9653 4.843690  2092.895       43.71121  2471.823       73.18388  1882.747       54.50049  63.01157       9.687380  
1 1 1 0   1  12 o 238.2993 2.484787  568.1993       11.84232  566.6273       16.69981  569.7893       16.79575  -0.6626434     4.969574  
1 1 1 0   1  13 o 484.0792 5.515703  2289.809       51.34318  2146.609       63.46945  2560.946       87.33517  -42.41666      11.03141  
1 1 1 0   1  14 o 241.9171 2.521112  585.4767       12.19800  585.7340       17.25150  585.2195       17.24967  0.1063385      5.042224  
1 1 1 0   1  15 o 557.1125 5.790851  3069.794       63.79463  2864.211       83.11830  3364.512       99.51896  -44.72156      11.58170  
1 1 1 0   1  16 f 199.5332 2.098682  397.0327       8.350965  413.1950       12.37853  383.5324       11.31332  7.428925       4.197364  
1 1 1 0   1  17 o 441.3201 5.940341  1944.852       51.22958  1921.313       65.59673  1981.658       82.02520  -6.650543      11.88068  
1 1 1 0   1  18 f 168.3686 1.771809  283.5073       5.965989  281.5856       8.382250  285.4802       8.493211  -1.156189      3.543619  
1 1 1 0   1  19 o 611.0026 6.359043  3740.219       77.68301  3809.932       111.5947  3674.677       108.2045  11.02405       12.71809  
1 1 1 0   1  20 o 454.8852 4.736795  2013.660       42.03757  1826.216       52.93288  2333.783       69.17498  -55.61475      9.473590  
1 1 1 0   1  21 f 139.6726 1.484367  194.3697       4.133142  186.4117       5.583118  204.0192       6.147904  -6.300949      2.968734  
1 1 1 0   1  22 o 442.9487 4.630908  1947.137       40.63123  1841.332       53.30179  2093.899       62.77614  -28.37915      9.261816  
1 1 1 0   1  23 f 240.9116 2.514612  580.7268       12.11569  578.2156       17.06192  583.2810       17.20735  -1.050018      5.029224  
1 1 1 0   1  24 f 392.2301 4.073075  1539.584       31.91828  1580.055       46.42418  1503.304       43.95544  9.742279       8.146151  
1 1 1 0   1  25 o 188.7780 1.982205  356.4657       7.482015  352.4514       10.44161  360.7018       10.72647  -2.182449      3.964411  
1 1 1 0   1  26 f 224.2850 2.346184  499.9165       10.46044  473.2829       13.90790  534.6064       15.87262  -13.64502      4.692369  
1 1 1 0   1  27 o 194.5501 2.041967  378.5763       7.941473  372.1776       11.02773  385.4694       11.44581  -3.410324      4.083934  
1 1 1 0   1  28 o 134.2613 1.436353  180.1591       3.853905  184.7870       5.585507  175.9539       5.324356  3.286530       2.872705  
1 1 1 0   1  29 o 278.4969 2.903656  776.5488       16.16365  791.4578       23.34184  762.8129       22.40467  5.121216       5.807312  
1 1 1 0   1  30 o 361.2290 3.759889  1308.450       27.15288  1288.606       37.76957  1329.677       39.06303  -5.645813      7.519777  
1 1 1 0   1  31 f 271.2754 2.830814  737.0400       15.35210  725.8543       21.34376  749.0305       22.09819  -4.252563      5.661628  
1 1 1 0   1  32 o 39.58928 0.6208973 15.67483       0.4915709 15.68023       0.6905077 15.66928       0.6999611 0.1388931E-01  1.241795  
1 1 1 0   1  33 o 93.42400 1.042026  86.44954       1.932450  94.14856       2.959609  80.72786       2.551396  7.178116       2.084052  
1 1 1 0   1  34 f 148.9050 1.585272  221.6779       4.716944  227.2195       6.845120  216.6671       6.509091  3.537109       3.170543  
1 1 1 0   1  35 o 234.3931 2.454804  550.7018       11.50775  551.4395       16.29797  549.9683       16.25095  0.3122253      4.909608  
1 1 1 0   1  36 o 118.2734 1.283195  139.7885       3.031875  136.0104       4.169173  144.0290       4.416987  -3.384743      2.566389  
1 1 1 0   1  37 f 97.64413 1.085982  95.10393       2.115650  91.33404       2.873622  99.56588       3.126282  -4.209892      2.171963  
1 1 1 0   1  38 o 91.09087 1.026011  82.88095       1.866685  80.26598       2.560567  85.84708       2.727075  -3.059502      2.052022  
1 1 1 0   1  39 o 131.7550 1.747470  173.2428       4.308300  176.2294       7.604650  171.8311       5.228280  1.552155       3.494941  
1 1 1 0   1  40 o 85.99860 1.392456  73.21280       2.373802  80.56589       3.663720  67.89247       3.116424  7.342873       2.784913  
1 1 1 0   1  41 o 132.8450 2.031175  177.2384       5.395811  175.2910       7.551561  179.2698       7.712646  -1.484863      4.062350  
1 1 1 0   1  42 o 62.67039 0.7937841 39.21658       0.9935842 37.60783       1.362373  41.04449       1.452206  -2.738628      1.587568  
1 1 1 0   1  43 o 118.8667 1.299475  141.6112       3.089058  140.4494       4.336504  142.8079       4.401394  -0.9879227     2.598951  
1 1 1 0   1  44 o 64.21977 0.9778513 42.13139       1.228722  46.78408       1.638932  36.15993       1.856728  8.283058       1.955703  
1 1 1 0   1  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   1  46 o 12.34731 1.474876  1.478918       0.3480355 2.009161       0.5672781 1.158861       0.4407294 3.597889       2.949751  
1 1 1 0   1  47 o 75.65608 0.9105519 57.33859       1.377748  56.85390       1.942347  57.82941       1.954571  -0.6438522     1.821104  
1 1 1 0   1  48 o 28.26141 0.7255524 7.995339       0.4096040 8.036363       0.5948136 7.958342       0.5648799 0.1361656      1.451105  
1 1 1 0   1  49 o 35.84477 0.7034136 12.87129       0.5040094 12.40007       0.7131824 13.34144       0.7123722 -1.313175      1.406827  
1 1 1 0   1  50 o 53.45702 0.7717040 28.60576       0.8247371 29.60484       1.185105  27.66750       1.148466  1.809032       1.543408  
1 1 1 0   1  51 o 79.32243 0.9603708 63.10339       1.523372  62.43091       2.133133  63.80333       2.176261  -0.8601837     1.920742  
1 1 1 0   1  52 o 9.595647 1.764072  0.9674979      0.3419892 1.011409       0.4733619 0.9195526      0.4946304 0.4285603      3.528144  
1 1 1 0   1  53 o 57.18488 0.8104659 32.61869       0.9243632 30.55317       1.251830  35.09525       1.370741  -3.958107      1.620932  
1 1 1 0   1  54 o 77.30180 0.9535921 59.95414       1.473897  58.84740       2.055618  61.12513       2.114436  -1.465050      1.907184  
1 1 1 0   1  55 o 56.09144 0.8146958 31.50243       0.9130383 30.26451       1.257493  32.88272       1.327838  -2.324417      1.629392  
1 1 1 0   1  56 o 65.02682 0.8767664 42.25385       1.137040  39.98063       1.538828  44.98743       1.687466  -3.826813      1.753533  
1 1 1 0   1  57 o 30.45641 0.8678834 9.311976       0.5281900 9.841878       0.7526871 8.797865       0.7413880 1.712130       1.735767  
1 1 1 0   1  58 f 19.50797 1.088389  3.828382       0.4236037 4.206388       0.6086260 3.473225       0.5899431 1.875080       2.176778  
1 1 1 0   1  59 o 24.62420 0.9746984 6.102205       0.4796590 5.816796       0.6771522 6.389625       0.6795344 -1.162622      1.949397  
1 1 1 0   1  60 o 39.26572 1.578189  15.54273       1.239374  15.54273       1.239374  ?              ?         ?              ?         
1 1 1 0   1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   1  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   2  0  o 143.9783 2.151501  205.4378       6.150120  192.5639       8.127705  222.6835       9.407040  -10.45445      4.303001  
1 1 1 0   2  1  o 199.4584 2.088480  397.8334       8.328551  405.2820       11.96713  390.8369       11.59823  3.618073       4.176960  
1 1 1 0   2  2  f 202.4321 2.275020  410.0640       9.107136  410.3148       12.01445  409.7253       13.96292  0.1627502      4.550039  
1 1 1 0   2  3  o 250.0439 2.613118  623.9720       13.03894  650.3401       19.22468  601.5095       17.74389  9.749451       5.226237  
1 1 1 0   2  4  o 261.2211 2.733505  679.0870       14.21879  722.5551       21.34393  644.4047       19.06528  14.93466       5.467009  
1 1 1 0   2  5  o 88.81165 1.191231  77.92782       1.960319  76.39200       2.351933  81.42271       3.547892  -2.826859      2.382462  
1 1 1 0   2  6  o 209.4134 3.095758  433.7062       12.83250  474.7635       19.92928  404.6269       16.77214  16.70863       6.191517  
1 1 1 0   2  7  o 218.5068 3.232920  477.3548       14.11026  466.2380       19.38433  489.8840       20.57904  -5.396149      6.465840  
1 1 1 0   2  8  o 201.9521 2.990910  405.9935       12.01963  429.6690       18.10949  387.3517       16.06943  10.45406       5.981820  
1 1 1 0   2  9  o 201.6545 2.633100  391.3882       9.491327  441.6653       18.58718  373.6543       11.03905  16.78972       5.266200  
1 1 1 0   2  10 o 399.3234 4.157413  1576.974       32.81747  1471.974       42.71814  1728.186       51.26360  -31.94809      8.314827  
1 1 1 0   2  11 o 340.0690 3.537577  1155.460       24.01914  1198.714       35.23258  1117.902       32.83084  11.85080       7.075154  
1 1 1 0   2  12 f 251.3133 2.617926  628.8148       13.10092  664.5284       19.65480  600.2618       17.57427  12.76825       5.235852  
1 1 1 0   2  13 o 243.3026 2.539253  591.9188       12.34941  601.7318       17.81535  582.8420       17.13397  3.877335       5.078507  
1 1 1 0   2  14 o 462.0041 4.811876  2103.796       43.88166  1943.442       56.82523  2340.678       69.06653  -42.86584      9.623752  
1 1 1 0   2  15 o 341.2929 3.556190  1164.718       24.25702  1144.018       33.56839  1187.339       35.09150  -6.336517      7.112381  
1 1 1 0   2  16 o 190.3067 2.302543  362.2190       8.762779  359.3103       12.28172  365.2350       12.50621  -1.555664      4.605087  
1 1 1 0   2  17 o 271.0522 2.820460  734.7067       15.28444  745.9617       21.96807  724.1465       21.27929  4.020416       5.640921  
1 1 1 0   2  18 o 142.3463 1.509657  201.1979       4.272054  215.4181       6.481157  190.2729       5.680837  8.830032       3.019313  
1 1 1 0   2  19 o 252.7303 2.637532  638.7570       13.32808  648.4894       19.12013  629.5582       18.58860  3.742432       5.275064  
1 1 1 0   2  20 o 184.0788 1.932454  338.8832       7.113596  335.8733       9.966356  342.0091       10.15663  -1.665756      3.864908  
1 1 1 0   2  21 f 230.5422 2.409387  531.4963       11.10531  523.4900       15.45798  540.0364       15.96483  -3.585327      4.818774  
1 1 1 0   2  22 o 139.8710 1.485942  195.4336       4.152578  200.8076       6.038414  190.6118       5.719795  3.643250       2.971884  
1 1 1 0   2  23 o 284.0118 2.957291  802.3983       16.70870  853.4233       25.23176  762.5469       22.29852  15.96750       5.914583  
1 1 1 0   2  24 f 117.4342 1.267690  137.9282       2.977285  137.2379       4.188234  138.6334       4.233160  -0.5939255     2.535379  
1 1 1 0   2  25 o 158.2030 1.672923  248.5162       5.259909  234.8581       6.985303  266.4011       7.993483  -9.960709      3.345846  
1 1 1 0   2  26 f 257.7872 2.689350  665.1255       13.86200  673.5907       19.87631  657.1093       19.34225  3.188416       5.378700  
1 1 1 0   2  27 o 71.14394 0.8297261 49.54923       1.163200  44.76514       1.497056  56.83752       1.847782  -8.482483      1.659452  
1 1 1 0   2  28 f 288.0717 3.001961  830.3804       17.27509  854.1880       25.17489  809.1937       23.74878  7.775452       6.003921  
1 1 1 0   2  29 o 111.9703 1.218109  124.8129       2.717988  118.7609       3.660471  132.2500       4.057793  -6.019745      2.436218  
1 1 1 0   2  30 o 261.5152 2.729248  685.0246       14.27377  680.6479       20.04315  689.5286       20.33228  -1.691467      5.458496  
1 1 1 0   2  31 f 150.0458 1.595736  225.2748       4.788528  226.4181       6.803761  224.1526       6.740684  0.7540131      3.191471  
1 1 1 0   2  32 o 64.76628 0.7824803 41.44945       1.005375  45.87315       1.546245  38.20955       1.323281  5.914639       1.564961  
1 1 1 0   2  33 o 91.55034 1.023342  83.83163       1.873568  83.16290       2.627839  84.52299       2.671961  -0.7423325     2.046685  
1 1 1 0   2  34 o 117.9157 1.278291  138.8424       3.009875  143.8126       4.407930  134.5006       4.119869  3.944237       2.556581  
1 1 1 0   2  35 o 200.4625 2.108230  402.2786       8.447063  394.7758       11.69965  410.4483       12.20849  -3.893753      4.216460  
1 1 1 0   2  36 o 134.4424 1.781614  179.6834       4.458560  184.6342       7.968807  177.4274       5.379346  2.606232       3.563228  
1 1 1 0   2  37 o 24.10860 1.049352  5.443875       0.4861525 8.249930       0.8007985 3.806088       0.6117918 9.212383       2.098703  
1 1 1 0   2  38 o 131.3441 2.006997  172.8457       5.269136  169.2502       7.303778  176.7479       7.608954  -2.839691      4.013994  
1 1 1 0   2  39 o 147.9946 1.923606  222.0553       5.474625  228.7323       6.914067  210.8333       8.963510  6.161072       3.847212  
1 1 1 0   2  40 o 113.0255 1.237651  127.9220       2.797494  128.8258       3.986772  127.0454       3.926425  0.7851105      2.475302  
1 1 1 0   2  41 o 41.70656 0.6606984 17.40083       0.5510439 17.02621       0.7750674 17.78374       0.7835900 -0.9079475     1.321397  
1 1 1 0   2  42 o 50.31841 0.7044019 25.32479       0.7086425 25.72373       1.018392  24.95030       0.9867027 0.7675209      1.408804  
1 1 1 0   2  43 o 97.05466 1.091891  93.77397       2.109800  88.63737       2.825074  100.2515       3.172463  -5.964325      2.183782  
1 1 1 0   2  44 o 68.07413 1.181686  46.06432       1.599793  43.09539       2.129476  49.91101       2.423912  -4.987076      2.363373  
1 1 1 0   2  45 o 65.49179 1.179363  42.91161       1.541818  44.28181       2.264591  41.72766       2.105059  1.938438       2.358727  
1 1 1 0   2  46 o 57.12395 0.9309728 33.40332       1.038590  37.25366       1.382677  28.41817       1.573294  7.745857       1.861946  
1 1 1 0   2  47 o 58.84889 1.096670  34.60625       1.287570  33.15282       1.748022  36.33014       1.903723  -2.686321      2.193341  
1 1 1 0   2  48 o 28.94250 0.9628301 8.365075       0.5563131 7.830698       0.7603927 8.980532       0.8160430 -1.981754      1.925660  
1 1 1 0   2  49 o 110.8155 1.236829  123.3336       2.741137  122.5025       3.861483  124.1778       3.891801  -0.7521210     2.473657  
1 1 1 0   2  50 o 33.05360 0.7155269 10.94642       0.4726835 10.82555       0.6791751 11.05998       0.6582660 -0.3562317     1.431054  
1 1 1 0   2  51 o 7.476974 1.656328  0.4922895      0.2995354 0.8898404      0.4392294 0.1466645      0.4095412 3.475880       3.312656  
1 1 1 0   2  52 o 33.72284 0.7332878 11.37095       0.4939046 10.59595       0.6824284 12.22345       0.7157344 -2.409828      1.466576  
1 1 1 0   2  53 o 31.17334 0.7747965 9.654240       0.4801543 8.312888       0.6485470 11.28129       0.7142844 -4.754087      1.549593  
1 1 1 0   2  54 o 11.07856 1.585134  1.269469       0.3447584 0.9031113      0.4772339 1.669350       0.4985908 -3.583499      3.170268  
1 1 1 0   2  55 o 50.97967 0.7991182 25.85700       0.8114277 23.59977       1.090379  28.65842       1.214730  -4.944836      1.598236  
1 1 1 0   2  56 o 23.89865 0.9443672 5.738069       0.4511854 5.944206       0.6390349 5.533168       0.6371145 0.8596401      1.888734  
1 1 1 0   2  57 o 51.45726 0.8130786 26.53877       0.8362591 25.57722       1.158720  27.58406       1.208124  -1.942486      1.626157  
1 1 1 0   2  58 o 15.27417 1.354340  2.355692       0.4135756 2.274326       0.5768471 2.441756       0.5932671 -0.5436172     2.708680  
1 1 1 0   2  59 o 34.90870 0.9030191 12.28218       0.6278037 11.83076       0.9211814 12.67371       0.8578905 -1.220051      1.806038  
1 1 1 0   2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   2  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   3  1  o 264.0394 2.768847  691.0007       14.49403  650.1171       19.05918  747.0716       22.32025  -18.32504      5.537694  
1 1 1 0   3  2  o 194.6121 2.041641  378.7884       7.942890  375.1072       11.04367  382.7331       11.43230  -1.956207      4.083282  
1 1 1 0   3  3  o 333.4756 3.500467  1113.512       23.34542  1110.780       32.84708  1116.302       33.18634  -0.8233337     7.000934  
1 1 1 0   3  4  o 162.3474 1.709361  262.3679       5.526674  250.6324       7.419302  276.9973       8.283747  -8.114243      3.418723  
1 1 1 0   3  5  o 333.4086 3.468433  1113.043       23.12772  1114.734       32.81376  1111.375       32.60233  0.5009766      6.936867  
1 1 1 0   3  6  o 259.9682 2.709000  673.5751       14.03376  707.6721       20.93956  645.7705       18.90891  11.88474       5.418000  
1 1 1 0   3  7  f 267.3115 2.798229  712.7939       14.92087  684.5463       20.23915  746.4258       22.08392  -11.55496      5.596458  
1 1 1 0   3  8  o 273.3121 3.493335  750.2333       18.11942  755.2297       22.38003  740.7269       30.87056  2.762909       6.986671  
1 1 1 0   3  9  o 179.8171 2.666280  322.7961       9.569065  312.0704       13.04074  335.3081       14.08490  -6.451080      5.332560  
1 1 1 0   3  10 o 337.6616 4.964301  1142.974       33.52269  1134.937       47.07071  1151.247       47.75313  -2.402649      9.928602  
1 1 1 0   3  11 o 310.6047 4.568020  965.7993       28.35357  988.1516       41.10712  945.5145       39.15972  6.832916       9.136041  
1 1 1 0   3  12 o 394.2341 5.027603  1552.863       37.31366  1571.119       65.00996  1543.894       45.56683  3.169403       10.05521  
1 1 1 0   3  13 o 553.6671 6.986993  3103.482       74.34051  2971.233       122.1981  3181.186       93.66788  -19.41974      13.97399  
1 1 1 0   3  14 o 401.5192 4.189829  1585.062       33.11973  1772.034       52.67839  1462.844       42.59032  38.42047       8.379659  
1 1 1 0   3  15 o 618.2460 6.423975  3777.493       78.48549  3510.862       102.0289  4163.954       122.8349  -52.57434      12.84795  
1 1 1 0   3  16 o 483.7757 5.800666  2339.372       56.01501  2424.393       82.34306  2266.137       76.42223  16.29144       11.60133  
1 1 1 0   3  17 o 423.5760 4.423794  1796.100       37.47593  1806.843       53.07045  1785.415       52.92777  2.528198       8.847589  
1 1 1 0   3  18 o 413.2195 4.296565  1709.291       35.50843  1711.021       50.27096  1707.568       50.16223  0.4167786      8.593129  
1 1 1 0   3  19 o 474.6122 4.923349  2250.326       46.63258  2176.166       63.50410  2337.115       68.69862  -16.90030      9.846698  
1 1 1 0   3  20 f 172.3515 1.814491  297.0230       6.252861  300.9628       8.970387  293.2995       8.720661  2.222046       3.628981  
1 1 1 0   3  21 o 254.6984 2.656289  648.8832       13.52763  657.1485       19.39357  641.0510       18.87872  3.156296       5.312577  
1 1 1 0   3  22 o 219.1254 2.291399  479.7471       10.03089  493.3371       14.60503  467.6126       13.80076  5.863876       4.582798  
1 1 1 0   3  23 o 245.0708 2.556439  600.4854       12.52064  588.1724       17.30776  614.0035       18.13490  -5.262100      5.112879  
1 1 1 0   3  24 o 60.35014 0.7348502 36.14899       0.8825483 33.81178       1.178522  39.13320       1.331690  -4.408287      1.469700  
1 1 1 0   3  25 o 57.02281 0.7161500 31.95905       0.8077706 28.93925       1.051544  36.30630       1.261671  -6.458961      1.432300  
1 1 1 0   3  26 o 209.2382 2.191560  436.9787       9.149986  421.8103       12.44443  454.8295       13.50000  -7.876434      4.383119  
1 1 1 0   3  27 o 87.92120 0.9854944 77.28387       1.732270  78.45287       2.490753  76.18872       2.410801  1.287033       1.970989  
1 1 1 0   3  28 f 310.3880 3.234705  961.7663       20.00818  922.1469       26.96743  1010.283       29.84211  -14.12262      6.469411  
1 1 1 0   3  29 o 320.3687 3.335990  1025.389       21.31206  986.3080       28.84877  1072.344       31.62127  -13.35565      6.671979  
1 1 1 0   3  30 o 259.7083 2.712097  675.6668       14.08707  676.1802       19.93559  675.1548       19.90870  0.1968079      5.424195  
1 1 1 0   3  31 o 165.7042 1.755112  274.3553       5.809183  266.5440       7.976579  283.1776       8.477098  -5.011032      3.510224  
1 1 1 0   3  32 o 297.3919 3.101145  886.7114       18.44286  894.4719       26.32910  879.2352       25.84200  2.546509       6.202290  
1 1 1 0   3  33 o 279.2350 2.915023  780.3991       16.25451  758.2458       22.26204  805.6946       23.78849  -8.447113      5.830045  
1 1 1 0   3  34 o 43.11127 0.8278840 18.35297       0.6570972 19.19484       1.203404  17.99534       0.7843462 1.386990       1.655768  
1 1 1 0   3  35 o 64.30795 1.129754  40.92737       1.442055  44.97096       2.210909  37.93344       1.902428  5.466557       2.259509  
1 1 1 0   3  36 o 61.63156 1.099581  37.99895       1.355240  37.29943       1.902573  38.71948       1.930939  -1.151531      2.199163  
1 1 1 0   3  37 o 136.9485 1.470827  187.7829       4.028428  187.0141       5.670678  188.5662       5.723807  -0.5650482     2.941653  
1 1 1 0   3  38 f 201.1349 2.119372  404.6295       8.504684  421.9773       12.56563  389.9651       11.55296  7.905243       4.238744  
1 1 1 0   3  39 o 28.29770 0.6540117 7.998041       0.3696759 7.455294       0.5127077 8.585734       0.5335143 -1.996992      1.308023  
1 1 1 0   3  40 o 29.67180 0.6646907 8.390983       0.3840368 11.69276       0.6195734 6.330968       0.4893886 9.032236       1.329381  
1 1 1 0   3  41 o 61.88669 0.7852389 38.30046       0.9715685 37.25497       1.352567  39.41497       1.396497  -1.743702      1.570478  
1 1 1 0   3  42 o 41.57241 0.6651763 17.24568       0.5521638 18.11142       0.8095772 16.49268       0.7550287 1.945217       1.330353  
1 1 1 0   3  43 o 108.4015 1.198924  117.5609       2.595855  121.3012       3.790179  114.2563       3.562571  3.235558       2.397847  
1 1 1 0   3  44 o 34.14860 0.6748103 11.31997       0.4538038 13.95114       0.7207168 9.591531       0.5841408 6.378220       1.349621  
1 1 1 0   3  45 o 65.57079 1.179506  42.86129       1.539996  45.57922       2.312463  40.69528       2.064360  3.705620       2.359013  
1 1 1 0   3  46 o 41.47398 0.6921134 17.21828       0.5740281 16.90370       0.8112828 17.53366       0.8123146 -0.7594109     1.384227  
1 1 1 0   3  47 o 36.75692 0.6955448 13.30716       0.5070095 11.38180       0.6718666 15.85382       0.7727007 -6.077660      1.391090  
1 1 1 0   3  48 o 42.09243 0.7046879 17.70829       0.5926055 18.41249       0.8628602 17.07959       0.8153020 1.580326       1.409376  
1 1 1 0   3  49 o 32.54472 0.9684015 10.55736       0.6273388 12.12468       0.9237360 9.215659       0.8546662 4.462404       1.936803  
1 1 1 0   3  50 o 85.11641 1.409345  72.75692       2.395341  70.62738       3.278640  75.19487       3.508028  -2.647743      2.818690  
1 1 1 0   3  51 o 49.07358 0.8935932 23.32128       0.8120318 26.32626       1.495967  22.06601       0.9668738 4.283684       1.787186  
1 1 1 0   3  52 o 27.85339 0.7924834 7.777044       0.4414354 7.719397       0.6264915 7.833887       0.6220996 -0.2059879     1.584967  
1 1 1 0   3  53 f 54.78524 0.7874316 30.01577       0.8613720 31.31077       1.263095  28.88993       1.177710  2.199947       1.574863  
1 1 1 0   3  54 o 54.31556 0.7914426 29.54121       0.8588470 30.36462       1.249496  28.80379       1.182461  1.428974       1.582885  
1 1 1 0   3  55 o 45.78076 0.8473873 21.04386       0.7667247 21.11481       1.010714  20.94769       1.176753  0.2063789      1.694775  
1 1 1 0   3  56 o 21.99783 0.9908022 4.877077       0.4341348 5.365816       0.6126799 4.384233       0.6152466 2.231537       1.981604  
1 1 1 0   3  57 o 12.06281 1.638275  1.544131       0.3818539 1.048240       0.5448588 2.022800       0.5353138 -4.183802      3.276549  
1 1 1 0   3  58 o 24.19198 1.713766  6.399232       0.6361759 5.246873       1.417473  6.689902       0.7119031 -3.205070      3.427531  
1 1 1 0   3  59 o 20.49673 1.714027  4.078162       0.6850591 5.277428       1.131865  3.384871       0.8605872 4.513611       3.428053  
1 1 1 0   3  60 o 27.73570 1.324067  7.683164       0.7238041 7.238097       0.9357547 8.346053       1.142009  -1.933525      2.648134  
1 1 1 0   3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   3  62 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   4  0  o 305.9518 4.517842  935.6528       27.59329  914.8624       37.71526  959.5989       40.47652  -7.287201      9.035685  
1 1 1 0   4  1  o 141.7671 1.499737  200.7954       4.248354  206.1960       6.169526  195.9254       5.858682  3.620560       2.999474  
1 1 1 0   4  2  o 256.5759 2.681980  655.5603       13.70035  691.6685       20.57085  626.7764       18.36644  12.62323       5.363961  
1 1 1 0   4  3  f 380.9560 3.979877  1453.611       30.32040  1463.234       43.22498  1444.290       42.54222  2.476074       7.959754  
1 1 1 0   4  4  o 284.3345 2.960536  808.7609       16.82700  795.7261       23.35558  822.8298       24.26437  -4.755981      5.921072  
1 1 1 0   4  5  o 277.4904 2.898093  768.9418       16.05577  799.2297       23.56268  742.6893       21.93695  10.17004       5.796185  
1 1 1 0   4  6  o 175.6735 1.845293  308.0563       6.470809  318.9294       9.510284  298.6837       8.829771  5.757599       3.690586  
1 1 1 0   4  7  o 391.2908 4.088782  1516.563       31.68849  1418.231       41.50991  1653.910       49.05862  -29.99988      8.177564  
1 1 1 0   4  8  o 134.0056 1.420389  179.5390       3.805507  176.9256       5.299431  182.3214       5.468131  -2.012421      2.840777  
1 1 1 0   4  9  f 242.3313 2.528548  576.8727       12.06238  531.1237       15.50524  647.0065       19.19781  -23.87566      5.057096  
1 1 1 0   4  10 o 272.3377 2.833911  742.2307       15.43507  745.6874       21.93958  738.8432       21.71906  1.254425       5.667822  
1 1 1 0   4  11 o 195.0667 2.047630  380.5482       7.986313  376.6977       11.14298  384.6153       11.45206  -2.027557      4.095261  
1 1 1 0   4  12 o 159.7248 2.078546  250.8632       6.105527  244.4595       7.271714  266.1649       11.24068  -6.774796      4.157092  
1 1 1 0   4  13 o 264.9497 3.901340  702.0462       20.65847  689.0140       28.58192  716.3015       29.89315  -5.139252      7.802681  
1 1 1 0   4  14 o 273.0540 4.018405  739.0491       21.76249  799.8831       33.45002  694.4009       28.65662  19.27997       8.036811  
1 1 1 0   4  15 o 451.5731 6.634114  2032.001       59.60669  2156.385       89.90167  1934.431       79.62413  24.44913       13.26823  
1 1 1 0   4  16 o 493.6917 6.266293  2446.889       58.63988  2428.964       100.2832  2456.203       72.28616  -3.094482      12.53259  
1 1 1 0   4  17 o 161.7925 2.415594  260.9546       7.792889  251.0245       10.54329  272.9122       11.56970  -6.759216      4.831189  
1 1 1 0   4  18 o 218.5014 2.286805  476.5847       9.975037  493.1432       14.64578  462.2575       13.62332  7.062759       4.573610  
1 1 1 0   4  19 o 368.7510 3.829459  1360.670       28.23537  1378.575       40.47454  1343.695       39.40848  4.720001       7.658918  
1 1 1 0   4  20 o 468.5728 4.882904  2170.601       45.27652  2393.233       70.45271  2013.963       59.09546  40.32495       9.765808  
1 1 1 0   4  21 o 336.8675 3.503865  1135.400       23.59584  1153.742       33.98928  1118.337       32.78255  5.242371       7.007731  
1 1 1 0   4  22 f 162.5556 1.722535  260.6716       5.535390  287.6616       8.651712  241.9663       7.202484  14.04665       3.445071  
1 1 1 0   4  23 o 323.7230 3.368795  1048.832       21.80169  1033.022       30.30560  1065.790       31.38733  -5.046082      6.737589  
1 1 1 0   4  24 o 80.10545 0.9120092 63.90909       1.456078  61.17236       1.963666  67.25179       2.170201  -3.793739      1.824018  
1 1 1 0   4  25 o 365.9253 3.809364  1340.071       27.84350  1305.503       38.24364  1379.061       40.61672  -10.00134      7.618728  
1 1 1 0   4  26 o 120.5282 1.296929  145.2744       3.125629  143.5101       4.365034  147.1310       4.477736  -1.501114      2.593858  
1 1 1 0   4  27 o 219.0923 2.293741  479.2693       10.02798  462.6125       13.64220  498.8487       14.79073  -8.249512      4.587481  
1 1 1 0   4  28 o 173.3458 1.827291  300.6051       6.333148  296.4910       8.826968  304.9697       9.091744  -2.441727      3.654583  
1 1 1 0   4  29 o 60.97903 0.7503927 37.16645       0.9148649 36.29079       1.274152  38.09834       1.314417  -1.481869      1.500785  
1 1 1 0   4  30 o 91.70096 1.023068  83.42918       1.864447  89.99352       2.835635  78.43020       2.474547  6.301666       2.046136  
1 1 1 0   4  31 f 135.9609 1.791535  183.5936       4.536809  188.8869       8.102350  181.1760       5.475701  2.792328       3.583071  
1 1 1 0   4  32 o 133.5325 2.033898  173.6640       5.309564  157.2011       6.711141  201.2112       8.681239  -16.43742      4.067796  
1 1 1 0   4  33 f 142.0531 2.148655  202.0889       6.104455  201.9099       8.635967  202.2677       8.630042  -0.1260681     4.297310  
1 1 1 0   4  34 f 29.58788 0.7827871 8.440457       0.4350193 7.891606       0.5234322 9.666161       0.7822143 -2.996187      1.565574  
1 1 1 0   4  35 o 76.70866 0.8953215 58.82610       1.372916  59.99421       1.979054  57.74242       1.906189  1.466743       1.790643  
1 1 1 0   4  36 o 79.26694 0.9188831 62.12532       1.444193  68.32130       2.226338  57.62395       1.897616  6.742378       1.837766  
1 1 1 0   4  37 o 130.6930 1.409415  170.7194       3.678953  165.6624       5.045952  176.4581       5.375303  -4.119965      2.818829  
1 1 1 0   4  38 o 74.72890 0.8826064 55.78035       1.317640  53.95063       1.811704  57.83501       1.919843  -2.596512      1.765213  
1 1 1 0   4  39 o 125.8162 1.363355  157.6196       3.414454  149.4689       4.569345  167.9254       5.138072  -7.310028      2.726709  
1 1 1 0   4  40 o 118.8333 1.294554  141.4471       3.076713  141.1814       4.344501  141.7144       4.357786  -0.2236633     2.589108  
1 1 1 0   4  41 o 115.6454 1.267693  133.9837       2.931741  132.7876       4.109715  135.2231       4.183485  -1.048950      2.535387  
1 1 1 0   4  42 o 111.3620 1.226622  124.2568       2.731906  123.5910       3.846120  124.9349       3.881115  -0.6013641     2.453243  
1 1 1 0   4  43 o 48.35817 0.7126938 23.22307       0.6863916 25.43443       1.029839  21.45553       0.9207113 4.109917       1.425388  
1 1 1 0   4  44 o 121.8423 1.331815  148.5801       3.240148  153.7737       4.747531  144.0516       4.433130  3.966179       2.663630  
1 1 1 0   4  45 o 88.73595 1.189887  78.88018       2.110227  80.72416       3.054142  77.19571       2.919061  1.977501       2.379775  
1 1 1 0   4  46 o 28.37749 0.7000648 8.017706       0.3933466 6.547937       0.5361992 9.730247       0.5787913 -5.605024      1.400130  
1 1 1 0   4  47 o 57.77852 0.7732768 33.39078       0.8928229 34.34103       1.295323  32.53071       1.232317  1.562622       1.546554  
1 1 1 0   4  48 f 55.17684 0.7637550 30.29652       0.8400264 28.04609       1.133578  33.03752       1.251042  -4.514923      1.527510  
1 1 1 0   4  49 o 28.49819 0.7415792 8.143626       0.4221693 7.750182       0.6004155 8.528340       0.5937161 -1.365793      1.483158  
1 1 1 0   4  50 o 30.31237 0.7312496 9.216946       0.4418043 8.284539       0.6211622 10.17155       0.6285139 -3.112013      1.462499  
1 1 1 0   4  51 o 6.332808 1.794496  0.1955845      0.3425562 0.1772227      0.4553233 0.2195321      0.5199863 -0.4707484     3.588992  
1 1 1 0   4  52 o 50.56941 1.051063  25.57854       1.060909  27.66271       1.556942  23.77206       1.449516  3.831589       2.102126  
1 1 1 0   4  53 o 51.16615 0.9242035 26.52486       0.9076248 25.33989       1.495178  27.21630       1.142132  -1.879662      1.848407  
1 1 1 0   4  54 o 23.47325 0.8835576 5.538574       0.4133088 5.393972       0.6062980 5.664108       0.5649083 -0.5809040     1.767115  
1 1 1 0   4  55 o 27.62637 0.8101130 7.680453       0.4462050 7.199142       0.6427240 8.128262       0.6199505 -1.684772      1.620226  
1 1 1 0   4  56 o 9.115669 2.069554  0.8172297      0.4081324 0.8341081      0.7253810 0.8094116      0.4936898 0.5286036      4.139108  
1 1 1 0   4  57 o 26.08849 1.570543  6.053923       0.7291563 8.856549       1.502514  5.190556       0.8339383 6.820986       3.141087  
1 1 1 0   4  58 o 44.16808 1.015221  19.63408       0.8911734 19.55858       1.335791  19.69463       1.196330  -0.1834297     2.030441  
1 1 1 0   4  59 o 26.35480 1.325234  7.012507       0.6861131 6.972534       0.8894560 7.071240       1.078169  -0.1323853     2.650469  
1 1 1 0   4  60 o 32.66255 1.248018  10.89817       0.8025383 11.58977       1.067270  9.998292       1.217415  2.480415       2.496036  
1 1 1 0   4  61 o 26.26010 2.092897  7.241892       1.074714  8.042889       1.435127  6.219143       1.621659  3.566591       4.185794  
1 1 1 0   5  1  o 334.2878 3.484186  1118.853       23.29359  1108.186       32.78333  1129.728       33.10323  -3.217926      6.968371  
1 1 1 0   5  2  o 350.9842 3.666699  1227.302       25.61163  1173.891       34.26389  1294.929       38.55533  -17.18323      7.333397  
1 1 1 0   5  3  o 377.5053 3.937168  1407.352       29.35667  1308.638       38.10746  1551.454       46.04228  -32.04285      7.874336  
1 1 1 0   5  4  o 370.0946 4.237589  1341.745       30.11338  1269.169       37.20830  1479.534       51.26822  -28.19742      8.475178  
1 1 1 0   5  5  o 171.8975 1.805035  294.9506       6.194046  305.5661       9.097883  285.7788       8.456634  5.751205       3.610070  
1 1 1 0   5  6  o 70.61256 0.7995086 49.86472       1.129107  49.84654       1.597174  49.88287       1.596422  -0.2572632E-01 1.599017  
1 1 1 0   5  7  o 134.3194 1.423987  180.4425       3.825124  179.4042       5.372557  181.5098       5.447302  -0.7833862     2.847975  
1 1 1 0   5  8  o 454.1628 5.208260  1985.354       44.52622  2311.960       79.93542  1838.426       53.61413  51.64075       10.41652  
1 1 1 0   5  9  o 420.2876 4.386142  1719.239       35.90998  1563.998       45.10382  1988.008       59.34721  -50.23407      8.772285  
1 1 1 0   5  10 o 250.4884 2.610227  625.5398       13.03584  655.0893       19.37068  601.0796       17.62383  10.76770       5.220453  
1 1 1 0   5  11 o 92.51219 1.011813  85.17676       1.864812  90.10386       2.789187  81.19399       2.507700  4.814827       2.023625  
1 1 1 0   5  12 o 618.9969 6.432537  3803.813       78.97987  3573.123       104.0327  4117.666       121.3438  -43.76300      12.86507  
1 1 1 0   5  13 o 231.2693 2.414973  534.6196       11.16301  545.5302       16.13616  524.6051       15.45934  4.520981       4.829946  
1 1 1 0   5  14 o 508.4678 7.471911  2591.614       75.95336  2636.884       109.3138  2549.360       105.6104  8.555450       14.94382  
1 1 1 0   5  15 o 291.2015 3.731689  840.3488       20.18586  826.6773       24.28942  870.8720       36.29314  -7.503082      7.463377  
1 1 1 0   5  16 o 460.6310 6.788771  2121.076       62.37366  2048.249       84.60252  2207.800       92.32141  -17.21521      13.57754  
1 1 1 0   5  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   5  18 o 75.20148 1.202497  56.46683       1.806461  54.78618       2.482742  58.35757       2.633349  -2.374146      2.404993  
1 1 1 0   5  19 o 106.3877 1.449127  105.8917       2.682524  128.2053       5.562537  99.12975       3.062121  13.65587       2.898253  
1 1 1 0   5  20 o 459.9291 4.779824  2118.588       43.95432  2094.652       61.27963  2143.953       63.08109  -5.335083      9.559648  
1 1 1 0   5  21 o 442.6265 4.593899  1962.953       40.66719  1969.029       57.67540  1956.945       57.35015  1.360168       9.187799  
1 1 1 0   5  22 o 301.4905 3.136387  906.4165       18.84823  869.8322       25.44039  950.9324       28.06301  -13.41855      6.272774  
1 1 1 0   5  23 o 400.9113 4.167458  1610.783       33.41438  1604.801       47.01952  1616.887       47.49419  -1.498474      8.334916  
1 1 1 0   5  24 o 365.8671 3.804235  1340.932       27.82872  1322.658       38.79517  1360.301       39.94137  -5.121887      7.608470  
1 1 1 0   5  25 o 195.0084 2.046511  380.2693       7.976766  388.0992       11.52710  373.0745       11.04974  3.846542       4.093022  
1 1 1 0   5  26 o 140.3647 1.498531  193.0358       4.135200  218.7999       6.620414  176.5538       5.295197  15.03470       2.997062  
1 1 1 0   5  27 f 39.06722 0.5926600 15.26407       0.4630583 15.19984       0.6564506 15.32768       0.6532877 -0.1636276     1.185320  
1 1 1 0   5  28 o 247.7001 3.108991  624.2948       15.07768  561.7016       23.15042  670.4047       19.86971  -22.02127      6.217982  
1 1 1 0   5  29 o 119.9818 1.835192  143.9055       4.399979  140.3628       6.071704  147.8233       6.385140  -3.104332      3.670383  
1 1 1 0   5  30 o 155.8842 2.342107  242.0404       7.269849  230.3718       9.748069  256.6629       10.91242  -8.408264      4.684214  
1 1 1 0   5  31 f 65.73248 0.9839991 42.40305       1.196466  41.13822       1.430251  45.35156       2.183724  -3.197769      1.967998  
1 1 1 0   5  32 o 100.4328 1.111360  100.5352       2.226077  105.6603       3.300901  96.25996       3.014812  4.676491       2.222720  
1 1 1 0   5  33 o 73.14993 0.8626015 52.18420       1.240004  46.80405       1.584312  60.69125       1.992203  -9.488144      1.725203  
1 1 1 0   5  34 o 76.32787 0.8904660 58.23768       1.358645  59.46399       1.959917  57.10321       1.885095  1.545547       1.780932  
1 1 1 0   5  35 o 85.03244 0.9694874 72.30000       1.648184  71.03465       2.294330  73.64932       2.369241  -1.536285      1.938975  
1 1 1 0   5  36 f 106.6722 1.174188  113.6586       2.501223  117.6002       3.661242  110.2091       3.425082  3.459076       2.348376  
1 1 1 0   5  37 o 115.7653 1.263657  133.0484       2.906811  125.0505       3.855596  143.5812       4.424600  -7.986931      2.527313  
1 1 1 0   5  38 f 70.06284 0.8437303 48.49352       1.172054  44.66032       1.539233  53.78289       1.808112  -6.503937      1.687461  
1 1 1 0   5  39 o 65.56178 0.8068118 42.98060       1.057408  43.90620       1.524507  42.12247       1.467899  1.358833       1.613624  
1 1 1 0   5  40 f 119.7015 1.303765  143.5106       3.120736  141.9467       4.365742  145.1448       4.462627  -1.331169      2.607530  
1 1 1 0   5  41 o 37.29800 0.6487531 13.89036       0.4834278 14.57153       0.7035376 13.28105       0.6653960 1.728844       1.297506  
1 1 1 0   5  42 o 47.47700 0.6895607 22.44146       0.6527166 23.98063       0.9712265 21.17367       0.8814512 2.953133       1.379121  
1 1 1 0   5  43 o 134.0274 2.050190  180.4390       5.487364  186.6620       8.029510  174.9858       7.516479  4.299622       4.100380  
1 1 1 0   5  44 o 91.27276 1.042289  83.05740       1.895805  87.99059       2.829990  79.04128       2.553434  4.885773       2.084577  
1 1 1 0   5  45 o 60.63823 0.8640921 36.20581       1.019759  39.43805       1.674407  34.30006       1.285709  4.213299       1.728184  
1 1 1 0   5  46 o 81.92633 0.9608439 67.24319       1.574285  67.53971       2.239854  66.95370       2.213136  0.3557816      1.921688  
1 1 1 0   5  47 o 34.36546 0.6892381 11.79145       0.4728964 12.34845       0.6942360 11.30927       0.6459271 1.509167       1.378476  
1 1 1 0   5  48 o 31.88805 0.7012990 10.18809       0.4468494 9.682225       0.6318408 10.69427       0.6320403 -1.586866      1.402598  
1 1 1 0   5  49 o 33.62208 0.7123013 11.32305       0.4786032 10.74506       0.6734251 11.91294       0.6803218 -1.736256      1.424603  
1 1 1 0   5  50 o 18.43173 0.8888202 3.385522       0.3266374 3.749185       0.4831105 3.079298       0.4433202 1.813148       1.777640  
1 1 1 0   5  51 o 15.60412 1.051227  2.416656       0.3225875 3.111279       0.4831325 1.857846       0.4333347 4.009768       2.102454  
1 1 1 0   5  52 o 33.70087 0.7485006 11.33166       0.5033855 12.25691       0.7411650 10.53940       0.6858391 2.542530       1.497001  
1 1 1 0   5  53 f 28.21599 0.9596480 7.874302       0.5183252 7.601902       0.6404553 8.391418       0.8824277 -1.365469      1.919296  
1 1 1 0   5  54 o 19.67026 1.371661  3.795224       0.5141485 2.409719       0.6723856 5.745950       0.7978343 -8.454603      2.743321  
1 1 1 0   5  55 o 63.51036 1.740423  0.000000       0.000000  ?              ?         40.63906       2.210698  ?              ?         
1 1 1 0   5  56 o 38.43816 0.9725849 14.38689       0.7056780 13.53281       0.8543015 16.22133       1.252029  -3.428173      1.945170  
1 1 1 0   5  57 o 41.03870 0.8469571 16.89301       0.6889104 17.03008       1.048725  16.78895       0.9137043 0.2712250      1.693914  
1 1 1 0   5  58 o 62.02183 1.086161  38.85814       1.327009  38.07551       2.051785  39.42091       1.739894  -1.157806      2.172323  
1 1 1 0   5  59 o 56.75708 1.164153  32.41099       1.319618  31.07377       1.808436  33.93391       1.929927  -2.488209      2.328305  
1 1 1 0   5  60 o 16.60638 1.833309  2.766831       0.5947541 2.580277       0.7534463 3.075269       0.9688014 -1.393695      3.666617  
1 1 1 0   5  61 o 31.32831 2.727207  0.000000       0.000000  ?              ?         10.06664       1.708776  ?              ?         
1 1 1 0   6  0  o 372.1888 5.498833  1307.748       38.76017  1158.996       46.71202  1636.554       69.44930  -63.92068      10.99767  
1 1 1 0   6  1  o 374.9450 3.902672  1408.115       29.26544  1404.390       41.44716  1411.819       41.32825  -0.9923401     7.805344  
1 1 1 0   6  2  o 122.9105 1.315579  149.6538       3.209114  140.2213       4.234566  162.3799       4.918612  -9.010773      2.631159  
1 1 1 0   6  3  o 362.4803 4.011484  1305.054       28.95876  1181.844       38.93048  1457.681       43.32957  -37.98282      8.022967  
1 1 1 0   6  4  o 297.0703 3.114498  881.9107       18.46221  904.5011       27.18044  862.5604       25.15595  7.035675       6.228996  
1 1 1 0   6  5  o 331.5406 3.453993  1097.248       22.84612  1145.484       33.76470  1056.516       31.02721  13.38284       6.907986  
1 1 1 0   6  6  o 348.7215 3.648034  1208.318       25.29151  1137.211       33.62698  1300.933       38.37705  -23.41296      7.296067  
1 1 1 0   6  7  o 420.1722 4.370200  1763.958       36.63084  1707.363       49.74617  1830.993       54.13995  -14.64758      8.740400  
1 1 1 0   6  8  o 185.3757 1.943460  343.1502       7.194763  354.2974       10.52307  333.3653       9.859208  5.641968       3.886920  
1 1 1 0   6  9  o 216.4172 2.259498  468.0562       9.771190  457.8127       13.48303  479.3867       14.18043  -4.980316      4.518997  
1 1 1 0   6  10 o 568.3917 5.901160  3214.285       66.66704  3041.949       88.58218  3439.409       101.2443  -34.80090      11.80232  
1 1 1 0   6  11 o 419.5549 4.359824  1751.670       36.40047  1664.868       48.65166  1862.047       54.86218  -23.44666      8.719648  
1 1 1 0   6  12 o 430.8692 4.480659  1855.946       38.55982  1813.830       52.94381  1903.523       56.27188  -10.38126      8.961318  
1 1 1 0   6  13 o 350.2079 5.143509  1222.869       35.89191  1170.730       48.33203  1286.974       53.59218  -16.54602      10.28702  
1 1 1 0   6  14 o 301.7742 3.138436  904.8606       18.82732  966.3174       28.56230  857.6403       25.03643  17.98495       6.276872  
1 1 1 0   6  15 o 179.7596 1.888341  322.6342       6.778683  313.5565       9.286327  332.9886       9.917810  -5.402710      3.776682  
1 1 1 0   6  16 o 563.0907 5.865539  3176.979       66.05640  3181.477       93.55662  3172.507       93.27972  0.7931519      11.73108  
1 1 1 0   6  17 o 366.1746 3.803756  1338.383       27.79274  1393.753       41.00438  1291.327       37.80054  13.95898       7.607512  
1 1 1 0   6  18 o 374.1979 4.175246  1404.008       31.19308  1490.546       43.93749  1316.067       44.29200  23.31741       8.350492  
1 1 1 0   6  19 o 274.2921 3.530023  743.7109       17.88339  729.1260       21.40093  777.4665       32.55767  -8.704071      7.060047  
1 1 1 0   6  20 o 457.6041 6.729430  2102.403       61.58694  2109.370       87.44064  2095.544       86.75756  1.496246       13.45886  
1 1 1 0   6  21 o 164.9781 2.458537  272.3456       8.112048  271.7739       11.44867  272.9220       11.49581  -0.3475189     4.917074  
1 1 1 0   6  22 o 174.3330 2.601381  303.8889       9.062989  310.8784       13.13252  297.5330       12.52319  3.820770       5.202763  
1 1 1 0   6  23 o 113.0814 1.480045  129.7279       3.242244  120.1873       5.178526  135.8789       4.158068  -6.945518      2.960090  
1 1 1 0   6  24 f 215.3748 2.253622  464.2306       9.707340  465.5044       13.77027  462.9722       13.68662  0.5868073      4.507244  
1 1 1 0   6  25 o 109.5685 1.436265  122.0980       3.068936  110.0154       4.771500  130.6229       4.007936  -9.411026      2.872530  
1 1 1 0   6  26 o 56.33150 1.009849  31.71812       1.136902  32.27040       1.644837  31.21290       1.573198  0.9380836      2.019697  
1 1 1 0   6  27 o 250.0538 3.701484  622.4736       18.39114  588.3897       24.40396  667.2755       27.97905  -15.66783      7.402969  
1 1 1 0   6  28 o 160.3699 2.409180  255.2260       7.668371  240.1885       10.12555  275.4505       11.74269  -10.96332      4.818361  
1 1 1 0   6  29 o 59.93846 0.8016439 36.05835       0.9565284 37.52385       1.308131  34.37441       1.402237  2.627892       1.603288  
1 1 1 0   6  30 o 209.5825 2.199100  439.8008       9.217702  438.6240       12.99156  440.9937       13.08049  -0.5635376     4.398200  
1 1 1 0   6  31 o 269.4126 2.813615  727.2321       15.15559  717.2841       21.11511  737.8029       21.76620  -3.789185      5.627231  
1 1 1 0   6  32 o 121.6008 1.317345  146.0377       3.170840  160.9294       4.927750  135.5148       4.142318  10.43839       2.634690  
1 1 1 0   6  33 o 221.9166 2.326724  493.2496       10.32387  486.7458       14.39695  500.1339       14.81223  -3.004333      4.653448  
1 1 1 0   6  34 o 178.1374 1.883514  316.1997       6.681600  301.5408       8.965234  334.5147       10.02110  -9.224960      3.767029  
1 1 1 0   6  35 f 60.85371 0.7653775 37.00102       0.9309474 35.87368       1.289230  38.22928       1.345701  -1.934734      1.530755  
1 1 1 0   6  36 o 110.8817 1.214841  122.7839       2.689141  127.3579       3.948982  118.8287       3.672132  3.838959       2.429682  
1 1 1 0   6  37 o 47.45859 0.6793227 22.40725       0.6428838 20.92604       0.8694301 24.19407       0.9549217 -3.441601      1.358645  
1 1 1 0   6  38 o 190.9583 2.017685  365.6122       7.700064  373.7475       11.15126  358.1983       10.64542  4.040237       4.035370  
1 1 1 0   6  39 f 85.85023 0.9815959 73.27554       1.676845  78.53250       2.530274  69.15867       2.239157  5.449669       1.963192  
1 1 1 0   6  40 o 77.82684 0.9101749 60.61979       1.416594  59.98919       1.987192  61.27135       2.019944  -0.8225098     1.820350  
1 1 1 0   6  41 o 37.15150 0.6575356 13.61080       0.4848769 11.72879       0.6447314 16.06118       0.7356717 -5.827976      1.315071  
1 1 1 0   6  42 o 158.0058 1.688862  250.6124       5.335869  253.5504       7.640792  247.8158       7.454762  1.798843       3.377724  
1 1 1 0   6  43 o 72.85960 0.8773342 53.06916       1.277240  51.39425       1.760177  54.93187       1.856228  -2.423096      1.754668  
1 1 1 0   6  44 o 78.51905 0.9268198 61.73110       1.455156  62.38247       2.083326  61.11059       2.033385  0.8070679      1.853640  
1 1 1 0   6  45 o 31.13332 1.006858  9.493608       0.6194174 11.24108       0.9712051 8.295407       0.8042120 4.718918       2.013716  
1 1 1 0   6  46 o 55.85127 0.7589025 31.10313       0.8458340 29.25620       1.150657  33.27437       1.247595  -3.591515      1.517805  
1 1 1 0   6  47 o 31.66797 0.6953982 9.956103       0.4385769 11.09921       0.6565162 9.034823       0.5893835 3.255383       1.390796  
1 1 1 0   6  48 o 69.08215 0.8623759 47.72962       1.189665  49.46294       1.741685  46.21359       1.628858  2.342018       1.724752  
1 1 1 0   6  49 f 39.19728 0.7100495 15.37042       0.5561455 15.77950       0.8072783 15.00089       0.7672635 0.9901505      1.420099  
1 1 1 0   6  50 o 18.15565 0.9596344 3.229781       0.3410839 4.335791       0.5238935 2.416056       0.4493683 5.278502       1.919269  
1 1 1 0   6  51 o 54.06876 0.7762436 29.25319       0.8383007 30.16212       1.223857  28.44982       1.150603  1.575981       1.552487  
1 1 1 0   6  52 o 90.23251 1.055408  81.75160       1.904156  82.61182       2.729316  80.93583       2.657871  0.9183426      2.110816  
1 1 1 0   6  53 o 52.08043 1.165404  27.15726       1.209672  24.17283       1.656647  30.56597       1.770490  -6.118370      2.330809  
1 1 1 0   6  54 o 68.10064 1.153456  46.80776       1.548473  47.56410       2.034710  45.76686       2.386974  1.385513       2.306912  
1 1 1 0   6  55 o 9.588385 1.753545  0.9475605      0.3682654 1.508015       0.5223426 0.3936526      0.5192829 4.851823       3.507091  
1 1 1 0   6  56 o 42.47109 1.041862  18.14012       0.8846161 18.16000       1.233873  18.11908       1.268936  0.5487823E-01  2.083724  
1 1 1 0   6  57 f 50.40186 0.9971733 25.36107       0.9836044 26.42753       1.575719  24.68022       1.259024  1.670578       1.994347  
1 1 1 0   6  58 o 33.74101 1.075862  11.45560       0.7255219 11.14606       1.003700  11.79431       1.049948  -0.9495049     2.151725  
1 1 1 0   6  59 o 11.63514 2.105620  1.432557       0.4988321 1.087869       0.6893607 1.811425       0.7227322 -2.820171      4.211240  
1 1 1 0   6  60 f 31.98365 1.126737  10.32575       0.7204099 10.47374       1.008272  10.17140       1.029693  0.4787197      2.253473  
1 1 1 0   6  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   7  1  o 344.4478 3.580362  1182.574       24.56729  1245.934       36.74669  1131.365       33.03565  16.58401       7.160723  
1 1 1 0   7  2  o 161.0132 1.695016  259.0403       5.453387  265.6668       7.918404  253.0616       7.521409  3.911987       3.390032  
1 1 1 0   7  3  o 363.2099 3.776710  1280.627       26.69407  1159.294       33.45194  1493.338       44.29227  -45.84583      7.553420  
1 1 1 0   7  4  o 234.1207 2.441118  547.5485       11.41474  564.4274       16.67201  532.6543       15.66113  6.777588       4.882235  
1 1 1 0   7  5  o 361.3771 3.768417  1296.450       27.05493  1217.736       35.85512  1400.522       41.22794  -25.22873      7.536835  
1 1 1 0   7  6  o 478.0702 4.992320  2279.158       47.51457  2184.592       63.69548  2397.803       71.34475  -22.19391      9.984639  
1 1 1 0   7  7  o 240.5833 2.507828  578.3746       12.05479  593.5386       17.52289  564.7496       16.60982  5.977585       5.015655  
1 1 1 0   7  8  o 443.2379 4.611795  1966.543       40.87436  1938.230       57.11506  1996.267       58.52071  -6.532990      9.223591  
1 1 1 0   7  9  o 501.7471 5.238811  2504.521       52.21610  2386.489       69.27437  2659.806       79.45816  -27.13321      10.47762  
1 1 1 0   7  10 o 218.3181 2.279570  476.6958       9.952373  472.8291       13.95337  480.7000       14.19942  -1.801590      4.559140  
1 1 1 0   7  11 o 363.7681 3.783271  1324.147       27.52327  1334.677       39.16555  1313.874       38.68643  2.856049       7.566542  
1 1 1 0   7  12 o 231.7148 3.418915  537.0963       15.84030  530.5864       22.10748  543.9645       22.70772  -2.882874      6.837831  
1 1 1 0   7  13 o 344.6128 3.578507  1186.553       24.62943  1221.993       35.98422  1155.316       33.78249  9.658813       7.157015  
1 1 1 0   7  14 o 332.5777 3.458577  1105.566       22.97977  1081.605       31.63580  1132.331       33.43543  -7.613831      6.917153  
1 1 1 0   7  15 o 410.7957 4.261858  1689.315       35.01503  1690.445       49.55952  1688.189       49.47803  0.2737732      8.523716  
1 1 1 0   7  16 f 348.4406 5.120286  1211.966       35.57615  1267.691       52.80014  1165.633       48.14588  14.59152       10.24057  
1 1 1 0   7  17 o 546.4339 5.683980  2987.474       62.00806  3076.483       90.93673  2910.122       84.77265  15.13489       11.36796  
1 1 1 0   7  18 o 507.6182 5.275530  2565.555       53.25764  2735.275       80.58687  2433.952       70.96306  29.53885       10.55106  
1 1 1 0   7  19 o 529.8245 5.508416  2801.313       58.12682  2955.165       87.07244  2677.630       78.06990  26.03613       11.01683  
1 1 1 0   7  20 f 205.1582 2.150459  418.2865       8.773536  446.4709       13.28167  396.4669       11.68620  12.17436       4.300918  
1 1 1 0   7  21 o 293.6652 3.057971  863.3455       17.96034  864.9933       25.43929  861.7078       25.36040  0.5583801      6.115943  
1 1 1 0   7  22 o 114.9288 1.629045  125.8344       3.466337  116.5187       4.111398  148.7336       6.446000  -13.99682      3.258091  
1 1 1 0   7  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   7  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   7  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   7  26 o 208.3871 3.093116  434.1827       12.86552  450.5754       18.92411  420.0948       17.54342  7.278931       6.186232  
1 1 1 0   7  27 o 289.5878 3.019586  839.6653       17.47762  823.7254       24.20676  857.0242       25.26112  -5.724609      6.039172  
1 1 1 0   7  28 o 81.66823 0.9394475 66.50336       1.530826  69.61092       2.260933  63.87283       2.080175  3.511612       1.878895  
1 1 1 0   7  29 o 139.7090 1.495208  195.2987       4.177871  195.2306       5.913859  195.3664       5.902959  -0.4875183E-01 2.990415  
1 1 1 0   7  30 o 17.80452 0.7658958 3.177480       0.2623475 2.116695       0.3561133 4.436477       0.3879601 -6.514356      1.531792  
1 1 1 0   7  31 o 77.80440 0.9009952 60.46559       1.400495  62.28163       2.038925  58.84347       1.927007  2.208389       1.801990  
1 1 1 0   7  32 o 52.01415 0.6986717 26.95570       0.7250805 28.53522       1.071687  25.62227       0.9846681 2.799435       1.397343  
1 1 1 0   7  33 f 102.9053 1.135500  105.1822       2.323903  99.15876       3.095245  112.9643       3.518226  -6.701172      2.271000  
1 1 1 0   7  34 o 92.47168 1.039888  85.53335       1.922764  86.38527       2.753973  84.72314       2.685709  0.8975830      2.079776  
1 1 1 0   7  35 o 97.44953 1.088868  94.97311       2.121462  93.13368       2.953145  96.93464       3.049580  -1.948212      2.177737  
1 1 1 0   7  36 o 85.54862 0.9782596 73.22604       1.673684  73.68266       2.381996  72.78081       2.352178  0.5264282      1.956519  
1 1 1 0   7  37 o 151.0576 1.612251  228.4919       4.868120  232.9686       7.027059  224.3608       6.750395  2.836960       3.224503  
1 1 1 0   7  38 o 71.47556 0.8565921 50.95317       1.221894  48.64799       1.662942  53.65815       1.801387  -3.500923      1.713184  
1 1 1 0   7  39 o 167.3163 1.778650  280.3491       5.942884  289.6208       8.696617  272.2263       8.139984  5.162155       3.557300  
1 1 1 0   7  40 o 102.4440 1.139328  104.8914       2.330289  108.7969       3.418940  101.5030       3.184580  3.548180       2.278657  
1 1 1 0   7  41 o 72.10262 0.8669556 52.03569       1.250139  51.46907       1.758415  52.61477       1.777671  -0.7937012     1.733911  
1 1 1 0   7  42 f 25.09520 0.8496017 6.460456       0.4158013 5.086311       0.6100230 7.652888       0.5682597 -5.115509      1.699203  
1 1 1 0   7  43 o 29.63627 0.6732510 8.747783       0.3980288 9.393401       0.5891249 8.205573       0.5398878 2.002136       1.346502  
1 1 1 0   7  44 o 45.03226 0.6905472 20.26207       0.6213912 19.27754       0.8588427 21.34363       0.9001732 -2.292095      1.381094  
1 1 1 0   7  45 o 54.72236 1.082633  29.91155       1.181134  31.26195       1.755312  28.79420       1.596685  2.242683       2.165267  
1 1 1 0   7  46 o 40.58889 0.6900675 16.48149       0.5597214 16.75676       0.8107949 16.23086       0.7736427 0.6457367      1.380135  
1 1 1 0   7  47 f 9.931000 1.458862  1.025281       0.2792477 1.068690       0.4149632 0.9893531      0.3775189 0.3759165      2.917724  
1 1 1 0   7  48 o 48.16991 0.7239929 23.23997       0.6974348 23.17681       0.9920318 23.30170       0.9807091 -0.1304893     1.447986  
1 1 1 0   7  49 o 50.86489 0.7444047 25.88168       0.7564269 26.63705       1.101639  25.20786       1.040478  1.399826       1.488809  
1 1 1 0   7  50 o 50.31033 0.7580515 25.35179       0.7624899 24.42481       1.067653  26.31677       1.089321  -1.878262      1.516103  
1 1 1 0   7  51 f 36.05584 1.106361  12.69988       0.7843778 15.08273       1.258177  11.18500       1.003189  5.367065       2.212722  
1 1 1 0   7  52 o 39.65623 0.9783263 15.36985       0.7570443 14.02752       0.9541712 17.65047       1.243719  -4.527740      1.956653  
1 1 1 0   7  53 o 36.46709 0.7527804 13.32356       0.5483285 13.45638       0.7976632 13.20457       0.7550015 0.3404846      1.505561  
1 1 1 0   7  54 f 21.12518 0.9496039 4.517632       0.3978397 3.942384       0.5721077 5.056282       0.5536087 -2.639406      1.899208  
1 1 1 0   7  55 f 36.94645 0.7677525 13.69598       0.5661792 13.60283       0.8257538 13.77863       0.7777935 -0.2444115     1.535505  
1 1 1 0   7  56 o 52.34258 0.9471482 27.59474       0.9482954 27.30502       1.588886  27.75504       1.181872  -0.5023689     1.894296  
1 1 1 0   7  57 o 74.53963 1.315616  56.10719       1.961173  56.60524       2.793771  55.62332       2.753699  0.6479645      2.631232  
1 1 1 0   7  58 o 32.85963 1.064832  10.86713       0.6995706 10.56725       0.9748157 11.18557       1.004538  -0.9338531     2.129663  
1 1 1 0   7  59 o 24.58474 1.180705  6.100063       0.5798165 5.705249       0.8138772 6.506954       0.8262311 -1.627100      2.361410  
1 1 1 0   7  60 o 46.37556 1.090348  21.66960       1.010558  21.24869       1.397432  22.13100       1.463120  -0.9333801     2.180697  
1 1 1 0   7  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   8  0  o 163.1013 2.428764  260.5656       7.783338  294.9041       12.48454  238.7336       9.954737  17.21158       4.857528  
1 1 1 0   8  1  o 146.7976 1.551446  215.5055       4.554494  213.7504       6.385692  217.3227       6.497826  -1.216309      3.102893  
1 1 1 0   8  2  o 453.4896 4.733996  2037.564       42.48966  1916.232       55.55925  2208.501       65.94582  -32.10245      9.467992  
1 1 1 0   8  3  o 113.1882 1.217906  127.9736       2.754562  124.6891       3.799050  131.6144       3.999774  -3.058586      2.435812  
1 1 1 0   8  4  o 368.0496 3.837126  1354.754       28.22895  1324.528       39.12600  1387.570       40.76817  -8.550323      7.674252  
1 1 1 0   8  5  o 330.2313 3.433342  1089.444       22.64502  1058.119       31.06465  1124.966       33.08008  -10.10669      6.866685  
1 1 1 0   8  6  o 88.82349 0.9810650 78.64128       1.738424  75.47722       2.359354  82.39936       2.571304  -3.896164      1.962130  
1 1 1 0   8  7  o 299.1909 3.109533  893.7019       18.57290  866.0358       25.36585  925.6762       27.26942  -9.955933      6.219066  
1 1 1 0   8  8  o 500.6033 5.211291  2488.911       51.82281  2343.763       68.66440  2681.012       78.99339  -33.58603      10.42258  
1 1 1 0   8  9  o 167.9851 1.767974  279.8852       5.897935  301.3259       9.003782  263.7705       7.805789  11.17430       3.535949  
1 1 1 0   8  10 o 147.7213 1.563347  218.0194       4.614811  213.1474       6.369739  223.4017       6.695065  -3.469849      3.126693  
1 1 1 0   8  11 o 401.4141 4.181940  1605.164       33.44631  1698.147       49.99245  1529.822       45.00082  20.92578       8.363879  
1 1 1 0   8  12 o 155.3665 1.647707  240.3306       5.100697  253.5159       7.620270  229.6277       6.865565  7.685242       3.295414  
1 1 1 0   8  13 o 389.0877 4.037938  1515.300       31.42224  1515.313       44.44282  1515.287       44.43269  0.3234863E-02  8.075875  
1 1 1 0   8  14 o 291.3546 3.033632  847.5259       17.64355  821.7230       24.08193  877.4253       25.92319  -9.547272      6.067265  
1 1 1 0   8  15 o 176.3407 2.623551  310.9941       9.249958  315.2271       13.27826  307.0031       12.89308  2.329483       5.247101  
1 1 1 0   8  16 o 185.0471 1.943146  341.5669       7.174515  355.7589       10.59056  329.5294       9.753626  7.083054       3.886292  
1 1 1 0   8  17 o 438.6028 4.556228  1925.189       39.93480  1968.178       57.88712  1886.151       55.16392  9.315613       9.112455  
1 1 1 0   8  18 o 173.9189 1.830291  302.4003       6.363453  297.3799       8.838445  307.8036       9.169232  -2.994766      3.660583  
1 1 1 0   8  19 f 123.5672 1.617182  153.9278       3.822274  148.5662       6.365670  156.9508       4.779865  -3.401955      3.234364  
1 1 1 0   8  20 o 40.44358 0.8698671 16.28910       0.7020147 14.95636       0.9596882 17.82305       1.029591  -3.543800      1.739734  
1 1 1 0   8  21 o 199.0607 2.957552  396.6358       11.77246  401.1823       16.84492  392.2950       16.45934  2.226776       5.915105  
1 1 1 0   8  22 o 184.7295 2.749931  339.2364       10.09858  362.7897       15.32064  321.1411       13.42874  11.24454       5.499861  
1 1 1 0   8  23 o 174.5941 2.284284  297.4305       7.248643  287.3015       8.543137  323.4650       13.69647  -10.28397      4.568569  
1 1 1 0   8  24 o 90.40338 1.008588  81.40401       1.817729  85.83501       2.704809  77.75467       2.454670  4.467201       2.017177  
1 1 1 0   8  25 o 104.2597 1.231188  109.0473       2.554039  112.1470       3.469902  105.3824       3.773018  3.247131       2.462376  
1 1 1 0   8  26 o 163.5878 2.113569  269.1071       6.570468  271.8899       8.135016  263.8857       11.14347  2.495361       4.227139  
1 1 1 0   8  27 o 176.2629 2.631237  311.0430       9.271914  306.5428       12.89287  315.8634       13.34369  -2.634186      5.262473  
1 1 1 0   8  28 o 223.2321 3.308749  497.6618       14.72066  476.7444       19.84955  523.2263       21.94397  -10.34877      6.617498  
1 1 1 0   8  29 o 73.87460 1.212785  54.04647       1.779010  59.08543       2.721107  50.28483       2.351063  5.952126       2.425570  
1 1 1 0   8  30 o 36.78626 0.7490381 12.85917       0.5095937 15.30429       0.9507752 11.87364       0.6036177 4.660198       1.498076  
1 1 1 0   8  31 o 127.3194 1.372454  162.1958       3.494663  162.8069       4.967931  161.5972       4.916865  0.4742661      2.744908  
1 1 1 0   8  32 o 76.21165 0.8916878 58.01630       1.357756  56.35762       1.869590  59.86742       1.975062  -2.301437      1.783376  
1 1 1 0   8  33 o 130.4124 1.403619  170.2107       3.660760  171.1609       5.211505  169.2851       5.143360  0.7177124      2.807237  
1 1 1 0   8  34 o 54.44942 0.7176011 29.64894       0.7813109 29.94511       1.117929  29.36616       1.092395  0.5313263      1.435202  
1 1 1 0   8  35 o 103.8278 1.146212  107.6693       2.376545  104.1354       3.253972  111.7094       3.479205  -3.641785      2.292425  
1 1 1 0   8  36 o 69.10751 0.8340993 47.27457       1.144158  51.83129       1.753743  43.89777       1.509709  5.734856       1.668199  
1 1 1 0   8  37 o 28.18079 0.6402290 7.848704       0.3585460 9.139245       0.5403110 6.833249       0.4792790 4.090227       1.280458  
1 1 1 0   8  38 o 12.17279 0.9839981 1.479779       0.2391917 1.542228       0.3503148 1.425238       0.3273846 0.4797678      1.967996  
1 1 1 0   8  39 o 97.29671 1.090517  94.55885       2.117810  98.41356       3.116265  91.25060       2.886937  3.670654       2.181035  
1 1 1 0   8  40 o 103.2052 1.147051  106.6737       2.367218  107.7233       3.385582  105.6698       3.311163  0.9909668      2.294102  
1 1 1 0   8  41 o 141.4711 1.956932  202.2735       5.493038  210.9349       7.416438  191.7482       8.175584  6.855545       3.913864  
1 1 1 0   8  42 o 94.81764 1.071687  90.04075       2.031832  91.04199       2.910587  89.08905       2.837687  1.025581       2.143373  
1 1 1 0   8  43 o 23.93564 0.7159669 5.688285       0.3411494 6.503448       0.5068976 5.013346       0.4612438 3.110737       1.431934  
1 1 1 0   8  44 f 44.82442 0.6953835 20.06079       0.6226012 18.87019       0.8568414 21.39254       0.9062138 -2.811172      1.390767  
1 1 1 0   8  45 o 23.01332 1.174375  5.007391       0.5212466 7.431766       0.8500287 3.546380       0.6598729 8.424908       2.348750  
1 1 1 0   8  46 o 42.06379 0.6970671 17.49529       0.5827454 15.37022       0.7771624 20.22481       0.8807824 -5.764343      1.394134  
1 1 1 0   8  47 o 70.68404 0.8738864 50.06817       1.235347  49.46568       1.743995  50.67490       1.750111  -0.8548431     1.747773  
1 1 1 0   8  48 o 39.80596 0.7068558 15.86349       0.5625244 15.25286       0.7883232 16.49697       0.8029374 -1.561623      1.413712  
1 1 1 0   8  49 o 27.92891 1.141829  7.766058       0.6321181 8.322896       0.9731282 7.359600       0.8314074 1.705692       2.283658  
1 1 1 0   8  50 o 31.51630 1.162385  10.07727       0.7250797 9.096910       1.071077  10.90662       0.9851398 -2.883835      2.324770  
1 1 1 0   8  51 o 67.43548 0.8653575 45.59844       1.166766  45.92872       1.673188  45.28580       1.627859  0.4713440      1.730715  
1 1 1 0   8  52 o 8.917904 1.707481  0.8113381      0.3153772 1.059090       0.4717025 0.6110621      0.4241061 2.231386       3.414962  
1 1 1 0   8  53 o 46.36189 0.7594359 21.49798       0.7031590 19.99681       0.9701188 23.15957       1.020638  -3.404938      1.518872  
1 1 1 0   8  54 f 33.94273 0.7584124 11.52965       0.5135752 11.88420       0.7578595 11.22856       0.6983900 0.9578781      1.516825  
1 1 1 0   8  55 o 28.66192 0.8502445 7.881793       0.4752991 9.999937       0.7858394 6.659968       0.5968435 5.797592       1.700489  
1 1 1 0   8  56 f 30.69951 1.060919  9.484828       0.6503234 8.782804       0.9118420 10.21157       0.9277568 -2.323689      2.121837  
1 1 1 0   8  57 o 42.75326 1.037599  18.39882       0.8872006 18.41010       1.251422  18.38741       1.257986  0.2801514E-01  2.075197  
1 1 1 0   8  58 o 69.83278 1.274327  49.25392       1.779639  50.02842       2.536177  48.50265       2.497840  1.081619       2.548654  
1 1 1 0   8  59 o 22.20778 1.252928  4.971393       0.5553755 4.553548       0.7654329 5.435921       0.8070585 -1.973970      2.505855  
1 1 1 0   8  60 o 41.02857 1.382295  17.42397       1.056946  15.99510       1.826563  18.14327       1.295954  -2.791996      2.764591  
1 1 1 0   9  1  o 417.4134 4.350998  1712.230       35.74449  1578.046       45.92559  1918.419       56.92921  -40.68274      8.701997  
1 1 1 0   9  2  o 135.2033 1.437657  182.8038       3.887259  184.0576       5.536088  181.5845       5.459540  0.9143677      2.875314  
1 1 1 0   9  3  o 152.7827 1.614888  231.3772       4.897440  249.8431       7.496398  217.6272       6.468734  10.54002       3.229775  
1 1 1 0   9  4  o 68.84698 0.7972044 46.99851       1.090841  50.89950       1.658829  44.02632       1.447949  4.991333       1.594409  
1 1 1 0   9  5  o 544.3496 6.110171  2941.907       64.99461  2847.620       82.85679  3092.724       104.7914  -22.26904      12.22034  
1 1 1 0   9  6  o 202.4591 2.127319  408.7001       8.591428  393.2032       11.65588  427.1355       12.71307  -8.375870      4.254638  
1 1 1 0   9  7  o 557.2572 5.809526  3109.364       64.71426  3157.668       93.30820  3064.593       89.83040  8.313049       11.61905  
1 1 1 0   9  8  o 554.5599 5.779834  3041.266       63.36338  2837.693       82.48602  3334.319       98.96745  -44.59247      11.55967  
1 1 1 0   9  9  o 364.6898 5.355934  1330.543       39.02479  1364.705       56.74752  1299.892       53.75293  8.854736       10.71187  
1 1 1 0   9  10 o 266.9933 2.780771  711.2888       14.81458  739.4482       21.85602  687.3545       20.14979  9.746216       5.561543  
1 1 1 0   9  11 o 395.8406 4.107781  1568.354       32.51932  1574.289       46.22376  1562.537       45.75829  1.480469       8.215563  
1 1 1 0   9  12 o 229.2198 2.392920  525.5803       10.96980  523.4692       15.44611  527.7287       15.58206  -0.9284668     4.785841  
1 1 1 0   9  13 o 210.4010 2.201766  440.4973       9.223636  466.4426       13.85005  419.8198       12.36439  11.07205       4.403532  
1 1 1 0   9  14 f 295.9611 4.358154  876.9841       25.79337  883.9048       36.83694  870.3272       36.12806  2.286102       8.716308  
1 1 1 0   9  15 o 81.49463 0.9184139 65.03255       1.473094  74.08006       2.349754  59.17426       1.890793  9.144112       1.836828  
1 1 1 0   9  16 o 79.42812 1.111381  62.29364       1.632739  65.18981       2.965837  61.03421       1.955786  2.612633       2.222762  
1 1 1 0   9  17 o 262.8668 3.882024  691.0511       20.38544  710.3190       29.69614  673.8793       28.03432  6.909515       7.764048  
1 1 1 0   9  18 o 55.19549 0.9987837 30.10334       1.094100  33.40381       1.679206  27.66856       1.442265  5.194492       1.997567  
1 1 1 0   9  19 o 48.43810 0.9392917 23.09709       0.9022854 20.62971       1.186336  26.48293       1.389709  -6.041130      1.878583  
1 1 1 0   9  20 o 344.8096 5.651604  1203.900       31.64715  1210.916       35.62706  1177.655       68.90543  5.706299       11.30321  
1 1 1 0   9  21 o 26.85646 0.6675801 7.069671       0.3444484 10.31321       0.5279519 4.665818       0.4545048 10.51378       1.335160  
1 1 1 0   9  22 o 202.4499 2.124040  409.4720       8.587612  422.8404       12.55919  397.7334       11.76875  6.190155       4.248080  
1 1 1 0   9  23 o 241.4737 2.524883  583.1477       12.18117  598.9205       17.71758  569.0090       16.77461  6.176010       5.049765  
1 1 1 0   9  24 f 28.66841 0.5999833 7.560466       0.3285772 11.80121       0.5559263 5.283672       0.4073411 11.36640       1.199967  
1 1 1 0   9  25 o 101.8725 1.118733  103.6944       2.277567  101.0759       3.145998  106.5782       3.301562  -2.699188      2.237466  
1 1 1 0   9  26 o 66.27652 0.7968822 42.90631       1.038772  49.54094       1.662873  38.66037       1.330263  8.206314       1.593764  
1 1 1 0   9  27 o 256.7522 2.681251  659.7108       13.75586  644.8656       18.97632  676.1498       19.96908  -6.068497      5.362502  
1 1 1 0   9  28 o 268.3423 2.801942  719.0637       14.99189  752.6633       22.26254  691.1835       20.27943  11.40271       5.603884  
1 1 1 0   9  29 o 220.2630 2.844985  481.5122       11.63540  473.5952       13.99623  499.2248       20.93491  -5.614349      5.689970  
1 1 1 0   9  30 f 101.1728 1.576381  102.3612       3.187612  100.3964       4.412691  104.5053       4.609687  -2.027092      3.152762  
1 1 1 0   9  31 o 120.0596 1.835855  143.7713       4.394784  137.7750       5.942578  151.0097       6.529064  -5.498131      3.671710  
1 1 1 0   9  32 o 162.2844 2.434228  263.9761       7.899483  266.8660       11.29380  261.2080       11.05320  1.734360       4.868456  
1 1 1 0   9  33 o 27.90927 0.8236566 8.281095       0.4271978 4.969417       0.6215837 11.24563       0.5881035 -11.24438      1.647313  
1 1 1 0   9  34 o 26.25912 0.6621959 6.913444       0.3467953 6.627843       0.5031707 7.171869       0.4786340 -1.036211      1.324392  
1 1 1 0   9  35 o 108.1439 1.189236  116.3016       2.558714  124.2381       3.863510  110.1008       3.414991  6.523621       2.378471  
1 1 1 0   9  36 o 50.44082 0.6976858 25.36540       0.7025987 23.89463       0.9601929 27.06046       1.030811  -3.136738      1.395372  
1 1 1 0   9  37 o 65.47357 0.8051529 42.79315       1.052428  44.50957       1.545395  41.30864       1.437202  2.441536       1.610306  
1 1 1 0   9  38 o 100.0337 1.114517  100.1171       2.228183  102.2949       3.225061  98.12816       3.082053  2.076607       2.229034  
1 1 1 0   9  39 f 54.66988 0.7324519 29.90360       0.8007863 29.35491       1.125197  30.46674       1.139912  -1.016376      1.464904  
1 1 1 0   9  40 o 21.10777 0.7491997 4.406779       0.3127752 5.446124       0.4683433 3.570045       0.4202212 4.442326       1.498399  
1 1 1 0   9  41 o 89.50401 1.022575  80.22069       1.830142  80.96705       2.618523  79.50792       2.558928  0.8118744      2.045151  
1 1 1 0   9  42 o 95.17897 1.077268  90.75529       2.050609  90.05830       2.887232  91.46472       2.912936  -0.7372513     2.154536  
1 1 1 0   9  43 o 42.49893 0.6809627 18.07038       0.5785718 17.36152       0.8101306 18.80830       0.8265651 -1.701374      1.361925  
1 1 1 0   9  44 o 56.86655 0.7657017 32.35952       0.8706283 31.44918       1.216268  33.31615       1.246808  -1.639889      1.531403  
1 1 1 0   9  45 o 67.86242 0.9145992 46.26585       1.237708  48.33214       1.711972  44.00314       1.791502  3.195496       1.829198  
1 1 1 0   9  46 o 27.18438 0.7208708 7.340590       0.3903399 8.138390       0.5839971 6.696365       0.5247858 2.648411       1.441742  
1 1 1 0   9  47 o 55.27312 1.121144  30.61792       1.238005  28.67393       1.717415  32.72079       1.786219  -3.652771      2.242288  
1 1 1 0   9  48 o 48.27067 1.085730  23.25000       1.041692  24.56519       1.579336  22.23726       1.385895  2.388081       2.171459  
1 1 1 0   9  49 o 26.19022 0.7545080 6.840227       0.3942476 7.491753       0.5799568 6.280488       0.5375552 2.308525       1.509016  
1 1 1 0   9  50 o 44.50809 0.7290492 19.85017       0.6488934 19.81187       0.9244068 19.88737       0.9110860 -0.8611679E-01 1.458098  
1 1 1 0   9  51 o 34.83044 0.7315793 12.04469       0.5064119 13.14377       0.7706827 11.20954       0.6718053 2.766476       1.463159  
1 1 1 0   9  52 f 24.63638 0.8126146 6.096550       0.3995275 5.896148       0.5785361 6.279254       0.5524036 -0.7806473     1.625229  
1 1 1 0   9  53 o 26.19357 0.8150133 6.808252       0.4245594 7.839498       0.6378930 5.988145       0.5688554 3.524517       1.630027  
1 1 1 0   9  54 o 46.98153 0.7763157 22.14126       0.7291830 22.05164       1.044298  22.22652       1.018623  -0.1896286     1.552631  
1 1 1 0   9  55 o 49.78566 0.9776601 24.97260       0.9646745 24.43389       1.457261  25.39282       1.287051  -0.9940262     1.955320  
1 1 1 0   9  56 o 58.05539 1.130570  33.85846       1.310812  35.66134       1.917719  32.27750       1.795815  2.886719       2.261141  
1 1 1 0   9  57 o 26.77083 1.088560  7.207921       0.5823187 6.850026       0.8051006 7.600556       0.8432710 -1.392488      2.177120  
1 1 1 0   9  58 o 70.84312 1.277475  50.62240       1.808052  52.77583       2.632888  48.70058       2.487266  2.833672       2.554950  
1 1 1 0   9  59 o 35.13070 1.086524  12.43933       0.7632102 12.77094       1.093819  12.12472       1.065426  0.9119415      2.173047  
1 1 1 0   9  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   10 0  o 175.7972 2.617692  308.4602       9.186181  299.3187       12.54018  319.0463       13.49472  -5.608536      5.235385  
1 1 1 0   10 1  o 339.7543 3.528186  1154.766       23.96808  1169.215       34.36704  1141.083       33.44378  4.133850       7.056372  
1 1 1 0   10 2  o 172.3829 1.812505  296.8841       6.243077  290.0793       8.609368  304.4306       9.066442  -4.161041      3.625010  
1 1 1 0   10 3  o 377.5802 3.924352  1402.578       29.20370  1294.329       37.65907  1565.877       46.25399  -35.89383      7.848704  
1 1 1 0   10 4  o 173.5781 1.832657  301.3362       6.361791  300.2267       8.940520  302.4741       9.054421  -0.6469727     3.665314  
1 1 1 0   10 5  o 252.2870 2.631437  634.1365       13.22991  666.0454       19.73198  608.0774       17.83181  11.47871       5.262874  
1 1 1 0   10 6  o 340.2319 4.082189  1158.370       27.77243  1172.283       39.75040  1145.101       38.81847  3.987091       8.164377  
1 1 1 0   10 7  o 120.7871 1.510876  145.9050       3.649767  144.4060       5.139916  147.4296       5.183460  -1.251495      3.021751  
1 1 1 0   10 8  o 259.7088 2.707321  674.7642       14.06220  675.7388       19.92984  673.7979       19.84435  0.3731995      5.414641  
1 1 1 0   10 9  o 210.4639 2.202462  441.8177       9.248563  426.0322       12.56913  460.4551       13.65742  -8.172897      4.404924  
1 1 1 0   10 10 o 265.3429 2.762999  704.0338       14.65624  692.9291       20.36516  715.9643       21.10896  -4.336182      5.525998  
1 1 1 0   10 11 o 249.3683 2.604229  621.3401       12.97377  606.5493       17.85233  637.8944       18.88671  -6.278641      5.208458  
1 1 1 0   10 12 o 588.3731 8.663737  3379.955       99.36459  3065.171       124.9218  3922.155       163.9501  -71.97498      17.32747  
1 1 1 0   10 13 o 651.5776 8.684809  3840.454       93.00542  5053.552       212.9621  3554.554       103.3857  112.4754       17.36962  
1 1 1 0   10 14 o 410.9627 6.041914  1679.157       49.27794  1809.961       75.47916  1581.986       65.05581  27.55099       12.08383  
1 1 1 0   10 15 o 173.8618 2.590949  302.4411       9.008759  300.4241       12.65420  304.5139       12.82821  -1.174698      5.181897  
1 1 1 0   10 16 o 88.57280 1.409610  76.30369       2.444390  88.94041       3.980069  68.65057       3.097367  11.44923       2.819220  
1 1 1 0   10 17 o 166.9969 2.151296  280.5346       6.838781  284.0218       8.487818  274.0816       11.54614  3.002884       4.302591  
1 1 1 0   10 18 o 142.5604 1.517109  201.9187       4.301672  191.0487       5.732861  215.9245       6.507459  -8.719177      3.034219  
1 1 1 0   10 19 o 229.8376 2.402125  528.6979       11.04195  528.1301       15.59760  529.2685       15.63383  -0.2472076     4.804250  
1 1 1 0   10 20 o 165.9941 1.752641  275.6545       5.818165  273.7559       8.170981  277.6071       8.286491  -1.158875      3.505282  
1 1 1 0   10 21 o 314.0146 3.268685  987.0807       20.51141  1009.899       29.73647  966.3699       28.32968  6.900818       6.537370  
1 1 1 0   10 22 o 59.84145 0.8214679 32.13884       0.8943066 27.68146       1.037819  44.99545       1.762565  -14.46202      1.642936  
1 1 1 0   10 23 o 148.9969 1.583161  221.9861       4.715281  217.9748       6.543157  226.3199       6.801153  -2.797134      3.166321  
1 1 1 0   10 24 o 217.1862 2.275327  471.9486       9.878316  463.7892       13.70932  480.7595       14.24624  -3.897354      4.550655  
1 1 1 0   10 25 o 172.5907 1.822725  296.4773       6.262842  282.2093       8.389487  314.4371       9.412522  -9.321182      3.645450  
1 1 1 0   10 26 o 256.1096 2.674694  657.0200       13.69875  651.4844       19.20048  662.7591       19.55015  -2.192764      5.349388  
1 1 1 0   10 27 o 19.58657 0.7528999 3.630280       0.2741328 6.136795       0.4429739 2.074562       0.3489862 10.36930       1.505800  
1 1 1 0   10 28 o 209.0731 2.195947  437.0097       9.168882  450.5728       13.40567  425.0880       12.56831  6.075546       4.391894  
1 1 1 0   10 29 f 37.85862 0.6325829 14.29613       0.4780942 13.15044       0.6589327 15.56973       0.6947422 -3.194912      1.265166  
1 1 1 0   10 30 o 231.7773 2.428326  537.6657       11.24498  524.7933       15.48709  552.0193       16.35389  -5.847168      4.856652  
1 1 1 0   10 31 o 153.4016 1.633328  235.2965       5.005972  241.6195       7.279572  229.6238       6.895093  3.900589       3.266656  
1 1 1 0   10 32 o 11.55955 1.256098  1.395901       0.2743475 1.706720       0.3779980 1.049913       0.3988099 3.002871       2.512196  
1 1 1 0   10 33 o 44.06868 0.8022470 19.25124       0.6769910 18.83303       0.8390840 20.03120       1.145898  -1.354599      1.604494  
1 1 1 0   10 34 o 21.91857 0.9079623 4.794923       0.3970300 5.299292       0.5760000 4.338373       0.5480151 2.191431       1.815925  
1 1 1 0   10 35 o 28.71268 0.8556671 8.180799       0.4892835 9.228395       0.7295378 7.324346       0.6596336 3.314039       1.711334  
1 1 1 0   10 36 o 22.67673 0.7765185 4.811785       0.3347183 6.238320       0.5968891 4.157415       0.4042634 4.583267       1.553037  
1 1 1 0   10 37 o 40.29949 0.6528437 16.23721       0.5256412 16.46346       0.7631215 16.03296       0.7250749 0.5332298      1.305687  
1 1 1 0   10 38 o 64.11745 0.8010607 40.94400       1.023552  43.41450       1.527935  38.93282       1.378600  3.489662       1.602121  
1 1 1 0   10 39 o 51.46893 0.7172078 25.72217       0.7248614 30.74867       1.169078  22.58301       0.9238852 7.924381       1.434416  
1 1 1 0   10 40 f 64.39178 1.027431  41.40628       1.293675  42.09789       2.066412  40.96049       1.659018  0.8615913      2.054862  
1 1 1 0   10 41 o 107.9622 1.197976  116.8172       2.586692  116.2283       3.647482  117.4131       3.668882  -0.5473175     2.395952  
1 1 1 0   10 42 f 73.69619 0.8879908 54.37787       1.308705  53.56626       1.835859  55.21642       1.866089  -1.117859      1.775982  
1 1 1 0   10 43 f 141.9066 1.533641  202.2410       4.351509  199.3100       6.069392  205.3413       6.242169  -2.106506      3.067281  
1 1 1 0   10 44 o 14.95405 0.9881414 2.265589       0.2919281 2.039809       0.4343032 2.451681       0.3942889 -1.380186      1.976283  
1 1 1 0   10 45 o 47.27004 1.062348  22.08144       0.9946560 24.73108       1.542803  20.19676       1.301174  4.773933       2.124695  
1 1 1 0   10 46 f 38.01406 1.045193  14.48805       0.7914917 14.57659       1.174353  14.41436       1.071396  0.2026253      2.090385  
1 1 1 0   10 47 o 65.06887 0.8352433 42.33894       1.085161  43.91598       1.590876  40.96668       1.483992  2.256790       1.670487  
1 1 1 0   10 48 o 29.76339 0.7301586 8.727013       0.4310125 10.28368       0.6598652 7.568656       0.5692185 4.553247       1.460317  
1 1 1 0   10 49 o 49.73430 0.7516569 24.78225       0.7471434 24.88802       1.077941  24.68444       1.036517  0.2006454      1.503314  
1 1 1 0   10 50 o 37.60487 0.7278989 14.16510       0.5460005 12.81020       0.7615148 15.59852       0.7832671 -3.705238      1.455798  
1 1 1 0   10 51 o 39.80693 0.7319589 15.89832       0.5820748 15.17714       0.8286951 16.60060       0.8177698 -1.789124      1.463918  
1 1 1 0   10 52 o 42.32763 0.7487608 17.97230       0.6330270 16.85428       0.8928764 19.10220       0.8976129 -2.654819      1.497522  
1 1 1 0   10 53 o 11.10116 1.504515  1.238465       0.3246212 1.677898       0.4974527 0.9125441      0.4284121 3.585549       3.009031  
1 1 1 0   10 54 f 57.03773 0.9598027 32.82838       1.048103  32.18033       1.748386  33.19189       1.309476  -0.9611053     1.919605  
1 1 1 0   10 55 o 18.94293 1.328256  3.641827       0.4897793 2.625345       0.6739796 4.779316       0.7129686 -5.675501      2.656512  
1 1 1 0   10 56 f 8.879408 1.906036  0.7276533      0.4257969 0.3154219E-01  0.6197963 1.349840       0.5859627 -4.802089      3.812073  
1 1 1 0   10 57 o 67.05885 1.235691  45.02055       1.649017  49.19640       2.488763  41.75254       2.201664  5.471909       2.471382  
1 1 1 0   10 58 o 17.17291 1.464734  3.000440       0.5015554 2.828294       0.7232731 3.159903       0.6961190 -0.9749947     2.929467  
1 1 1 0   10 59 o 35.06246 1.096250  12.39483       0.7686881 12.18861       1.081453  12.60541       1.092815  -0.5913124     2.192500  
1 1 1 0   11 1  o 337.8495 3.511452  1141.656       23.71755  1123.136       32.98967  1161.469       34.12235  -5.665131      7.022904  
1 1 1 0   11 2  o 589.9073 6.170930  3422.881       71.65769  3148.761       92.09208  3843.535       114.0812  -58.61481      12.34186  
1 1 1 0   11 3  o 528.1820 7.778174  2733.301       80.51720  2491.954       102.3619  3124.960       130.3984  -59.48029      15.55635  
1 1 1 0   11 4  o 327.1614 4.817122  1070.740       31.49647  1098.005       45.61111  1045.887       43.54609  7.944763       9.634243  
1 1 1 0   11 5  o 638.0284 6.639682  4017.020       83.56315  3719.210       108.0331  4460.576       131.8443  -57.76703      13.27936  
1 1 1 0   11 6  o 325.7291 3.385998  1055.438       21.94468  1121.334       33.10172  1003.768       29.31170  18.01883       6.771997  
1 1 1 0   11 7  o 332.6841 3.456000  1107.033       22.98456  1126.172       33.11088  1089.233       31.93134  5.542572       6.912000  
1 1 1 0   11 8  o 161.1327 1.701587  257.6271       5.446879  276.8542       8.297961  243.0705       7.220119  10.47890       3.403175  
1 1 1 0   11 9  o 463.1833 6.168272  2162.552       56.69229  2046.539       84.30690  2258.315       76.59657  -22.97894      12.33654  
1 1 1 0   11 10 o 223.3983 3.304331  495.9374       14.67375  530.3552       22.26868  469.5245       19.50792  13.59073       6.608661  
1 1 1 0   11 11 o 319.5634 4.701481  1019.133       29.94900  1068.600       44.57076  978.4123       40.43866  14.05627       9.402962  
1 1 1 0   11 12 o 222.3113 3.288492  494.3860       14.61385  503.4027       21.07530  486.0355       20.28174  3.898148       6.576984  
1 1 1 0   11 13 o 645.6116 8.717563  3635.284       88.13527  3340.147       96.30417  5156.900       218.6685  -137.2171      17.43513  
1 1 1 0   11 14 o 254.4532 2.653231  647.9332       13.50243  647.2775       19.07002  648.5924       19.12073  -0.2579041     5.306462  
1 1 1 0   11 15 o 279.0197 2.905905  778.0312       16.19369  801.8180       23.65612  757.0553       22.21446  8.004395       5.811810  
1 1 1 0   11 16 o 161.9439 1.711921  262.2293       5.542509  258.0837       7.709005  266.6651       7.974308  -2.647446      3.423842  
1 1 1 0   11 17 o 344.4697 3.584547  1182.287       24.57524  1251.684       36.99049  1127.454       32.88065  17.95819       7.169093  
1 1 1 0   11 18 o 288.2802 3.005746  832.2138       17.32978  830.0729       24.44536  834.3770       24.57114  -0.7444153     6.011492  
1 1 1 0   11 19 o 154.4785 1.637842  238.4394       5.054738  245.0484       7.356702  232.5290       6.956990  4.048111       3.275685  
1 1 1 0   11 20 o 349.5010 3.636079  1224.628       25.41452  1232.385       36.19525  1217.085       35.69312  2.176086       7.272157  
1 1 1 0   11 21 o 280.8170 2.928418  789.0060       16.42780  769.0018       22.58881  811.4643       23.93439  -7.529449      5.856837  
1 1 1 0   11 22 o 24.03985 0.6258208 5.516595       0.2904022 8.122735       0.4636584 3.834298       0.3725209 8.918985       1.251642  
1 1 1 0   11 23 o 187.7598 1.977422  352.8329       7.425384  353.8310       10.54805  351.8526       10.45473  0.5254211      3.954843  
1 1 1 0   11 24 f 27.96748 0.6099991 7.771825       0.3399455 8.423217       0.5081109 7.243989       0.4573905 2.107952       1.219998  
1 1 1 0   11 25 o 311.3255 3.245922  971.7352       20.20867  979.1315       28.82771  964.5882       28.33733  2.321320       6.491845  
1 1 1 0   11 26 o 234.7791 2.456526  552.0979       11.53448  554.3294       16.38757  549.9070       16.23788  0.9382782      4.913051  
1 1 1 0   11 27 o 315.0062 3.288060  995.0637       20.70794  980.6481       28.83194  1010.423       29.76106  -4.694031      6.576120  
1 1 1 0   11 28 o 112.0883 1.224701  125.6958       2.745454  126.0884       3.894979  125.3081       3.870454  0.3477478      2.449401  
1 1 1 0   11 29 o 184.7538 1.948612  341.1177       7.188364  330.7080       9.832600  353.0688       10.53552  -6.034439      3.897224  
1 1 1 0   11 30 o 216.2417 2.270746  468.5655       9.819723  471.9424       13.99925  465.2945       13.77777  1.529724       4.541493  
1 1 1 0   11 31 o 64.30516 0.7958437 41.36332       1.023505  41.40177       1.453566  41.32552       1.441418  0.5913544E-01  1.591687  
1 1 1 0   11 32 o 165.1951 1.753847  273.3425       5.794296  274.7465       8.239721  271.9690       8.149762  0.8376007      3.507694  
1 1 1 0   11 33 o 83.12439 0.9600318 67.53658       1.569595  60.90768       2.010219  77.89004       2.512269  -10.20397      1.920064  
1 1 1 0   11 34 o 52.27052 0.7230069 27.24233       0.7544273 25.86822       1.029209  28.83808       1.109108  -2.839306      1.446014  
1 1 1 0   11 35 o 54.03265 0.7261240 29.10917       0.7833048 27.44074       1.070351  31.03311       1.149388  -3.322411      1.452248  
1 1 1 0   11 36 o 129.9832 1.734511  166.6648       4.157401  162.4218       4.962644  176.6509       7.613300  -5.315277      3.469022  
1 1 1 0   11 37 o 91.10706 1.451361  83.01331       2.639709  86.41818       3.878127  80.07401       3.603236  3.464706       2.902723  
1 1 1 0   11 38 o 69.82343 1.181234  48.80619       1.648740  49.92580       2.377700  47.76925       2.288214  1.539429       2.362468  
1 1 1 0   11 39 o 79.62807 1.305196  63.54488       2.078221  62.77241       2.905406  64.35419       2.973886  -0.9887085     2.610391  
1 1 1 0   11 40 o 36.42976 0.7737056 13.25211       0.5378366 13.38810       0.9110209 13.17936       0.6663528 0.2762909      1.547411  
1 1 1 0   11 41 o 57.57759 0.7630086 33.18668       0.8785897 32.82824       1.244195  33.54317       1.240838  -0.6209946     1.526017  
1 1 1 0   11 42 o 60.35729 0.7890150 36.25608       0.9493740 33.73947       1.281509  39.31734       1.413394  -4.613396      1.578030  
1 1 1 0   11 43 o 45.10903 1.053826  20.27787       0.9467498 17.86431       1.290182  23.09389       1.393604  -5.788570      2.107653  
1 1 1 0   11 44 o 76.87045 1.334891  59.20507       2.049839  56.42994       2.817580  62.32547       2.987716  -3.815628      2.669783  
1 1 1 0   11 45 f 58.14707 0.7835160 33.81446       0.9104804 32.38328       1.259085  35.38312       1.318174  -2.575127      1.567032  
1 1 1 0   11 46 f 35.15173 0.6991177 12.31167       0.4900155 13.17907       0.7285131 11.59500       0.6621973 2.248322       1.398235  
1 1 1 0   11 47 o 16.21580 0.9683551 2.644960       0.3127913 2.538875       0.4578538 2.737804       0.4283282 -0.6166105     1.936710  
1 1 1 0   11 48 f 17.22474 0.9694275 3.003587       0.3308856 2.691269       0.4845652 3.276447       0.4529219 -1.702452      1.938855  
1 1 1 0   11 49 o 47.16547 0.7460986 22.28715       0.7035527 21.46611       0.9868754 23.13570       1.003275  -1.768269      1.492197  
1 1 1 0   11 50 o 25.34401 0.8041190 6.421103       0.4058819 6.636546       0.6063830 6.246232       0.5463126 0.7631664      1.608238  
1 1 1 0   11 51 o 47.59818 0.7619886 22.70962       0.7250409 21.77480       1.019273  23.66713       1.031563  -1.986431      1.523977  
1 1 1 0   11 52 o 31.93245 0.7690117 10.24413       0.4898849 9.925727       0.7119637 10.53042       0.6751082 -0.9516544     1.538023  
1 1 1 0   11 53 o 24.50331 0.8490302 5.945527       0.4132778 6.905731       0.6264637 5.205643       0.5499158 3.457634       1.698060  
1 1 1 0   11 54 o 28.78548 0.9613021 8.422584       0.5469419 7.407871       0.8035825 9.298368       0.7465481 -3.293972      1.922604  
1 1 1 0   11 55 o 11.90541 1.883190  1.512806       0.4390877 1.227105       0.6285487 1.785120       0.6136468 -2.285261      3.766380  
1 1 1 0   11 56 o 15.00493 1.514539  2.261752       0.4522573 2.536569       0.6809670 2.044874       0.6049388 1.612736       3.029078  
1 1 1 0   11 57 o 38.63046 1.033658  15.01820       0.7983751 14.54424       1.115338  15.51625       1.143328  -1.251469      2.067317  
1 1 1 0   11 58 o 42.25365 1.062901  17.97285       0.8975391 17.36252       1.240004  18.64450       1.300801  -1.500683      2.125802  
1 1 1 0   11 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   12 0  o 392.9278 5.780527  1515.930       44.68176  1392.847       57.32657  1706.436       71.32012  -39.80804      11.56105  
1 1 1 0   12 1  o 420.1152 5.045269  1765.305       42.34195  1715.745       58.20036  1821.032       61.71523  -12.48837      10.09054  
1 1 1 0   12 2  o 101.9222 1.577061  103.3249       3.200546  109.7795       4.805789  98.18037       4.290437  5.688210       3.154123  
1 1 1 0   12 3  o 565.5715 8.326919  3177.967       93.27348  2972.379       122.1669  3465.301       144.4270  -43.12341      16.65384  
1 1 1 0   12 4  f 270.8445 4.001269  731.5780       21.59664  766.2263       32.20057  703.2493       29.11632  11.59515       8.002539  
1 1 1 0   12 5  o 215.1407 3.184820  461.5408       13.66158  483.4136       20.29369  443.4129       18.47493  9.281479       6.369641  
1 1 1 0   12 6  o 157.3343 2.153242  246.7539       6.601225  251.4637       10.65565  243.8205       8.409279  2.416138       4.306484  
1 1 1 0   12 7  o 393.5146 5.783710  1552.585       45.51927  1555.498       64.49319  1549.694       64.25541  0.7337646      11.56742  
1 1 1 0   12 8  o 210.8460 3.122873  444.9145       13.16888  444.1882       18.60264  445.6440       18.64466  -0.3448639     6.245745  
1 1 1 0   12 9  o 165.6152 2.479382  274.2259       8.207051  279.7593       11.86621  269.1516       11.36317  3.198685       4.958765  
1 1 1 0   12 10 o 227.5123 2.923590  515.3157       12.43225  510.4857       15.06533  525.6263       22.01145  -3.262054      5.847180  
1 1 1 0   12 11 o 322.4216 3.352013  1039.958       21.60136  1061.002       31.22403  1020.641       29.91581  6.243591       6.704026  
1 1 1 0   12 12 o 443.6988 4.606143  1972.897       40.86875  1954.925       57.21231  1991.624       58.40028  -4.114563      9.212287  
1 1 1 0   12 13 o 237.8702 2.484375  566.1151       11.81692  572.2419       16.91022  560.2679       16.51990  2.512833       4.968751  
1 1 1 0   12 14 o 227.2867 2.376339  516.7153       10.79757  508.6583       15.00929  525.3575       15.54493  -3.667679      4.752678  
1 1 1 0   12 15 o 98.83500 1.089933  97.44165       2.150230  93.81728       2.931611  101.6617       3.163366  -3.967163      2.179866  
1 1 1 0   12 16 o 68.64104 0.8111590 47.10602       1.113330  47.79093       1.595007  46.45525       1.554737  0.9727707      1.622318  
1 1 1 0   12 17 f 213.1075 2.231544  454.5345       9.511163  454.7805       13.46284  454.2894       13.43883  0.1148987      4.463088  
1 1 1 0   12 18 o 327.5765 3.409610  1072.469       22.28418  1116.654       32.90949  1035.055       30.28324  12.39392       6.819220  
1 1 1 0   12 19 o 83.24004 0.9443163 68.73887       1.562795  64.43729       2.077610  74.34459       2.371732  -5.948906      1.888633  
1 1 1 0   12 20 o 196.5507 2.065712  386.6237       8.118996  390.5826       11.60913  382.8335       11.35895  1.967087       4.131424  
1 1 1 0   12 21 o 79.07173 0.9044064 62.48183       1.429442  61.04264       1.981119  64.04478       2.064534  -1.897774      1.808813  
1 1 1 0   12 22 f 103.3535 1.135551  106.6923       2.344457  109.9389       3.417543  103.8062       3.222198  2.965050       2.271101  
1 1 1 0   12 23 o 116.0878 1.259324  134.7668       2.922939  136.7168       4.196717  132.9296       4.073363  1.629822       2.518648  
1 1 1 0   12 24 o 48.00187 0.6672015 23.03355       0.6401365 23.33693       0.9242405 22.75383       0.8874587 0.6071472      1.334403  
1 1 1 0   12 25 o 34.36893 0.6148136 11.56857       0.4179932 13.61761       0.6518327 10.13751       0.5447407 5.062193       1.229627  
1 1 1 0   12 26 o 181.9841 1.919486  331.5518       6.986318  331.5704       9.885454  331.5332       9.874845  0.1000977E-01  3.838973  
1 1 1 0   12 27 o 48.37871 0.6805867 22.82156       0.6484265 26.83792       1.033413  20.21346       0.8327596 6.844902       1.361173  
1 1 1 0   12 28 o 143.0484 1.530222  204.7837       4.377659  203.2474       6.150392  206.3611       6.232309  -1.086746      3.060445  
1 1 1 0   12 29 o 150.0045 1.598788  225.2520       4.796363  226.0331       6.814322  224.4850       6.752265  0.5145416      3.197577  
1 1 1 0   12 30 o 49.31648 0.6909694 24.32855       0.6814634 24.00841       0.9651642 24.64680       0.9623116 -0.6472740     1.381939  
1 1 1 0   12 31 o 100.9525 1.121240  101.6747       2.258308  106.2439       3.337038  97.81399       3.067429  4.169250       2.242480  
1 1 1 0   12 32 o 126.5489 1.369289  159.7825       3.455559  167.3570       5.126663  153.4761       4.677907  5.470276       2.738578  
1 1 1 0   12 33 o 100.0058 1.116180  100.0230       2.231065  97.89972       3.089238  102.3378       3.225581  -2.214836      2.232360  
1 1 1 0   12 34 o 101.8633 1.131541  103.8821       2.305243  103.7277       3.262425  104.0360       3.257794  -0.1514664     2.263083  
1 1 1 0   12 35 o 68.46854 0.8338995 46.79144       1.140200  44.78008       1.560958  49.09218       1.669479  -3.145836      1.667799  
1 1 1 0   12 36 o 66.72886 0.8227519 43.87624       1.086167  49.17965       1.694091  40.17442       1.415358  6.738007       1.645504  
1 1 1 0   12 37 o 66.78537 0.8259519 44.51189       1.100824  46.53944       1.622983  42.78435       1.498106  2.806602       1.651904  
1 1 1 0   12 38 o 83.51801 1.355810  69.89046       2.263668  71.29775       3.261264  68.58209       3.144545  1.617905       2.711620  
1 1 1 0   12 39 o 26.27002 0.6896701 6.863333       0.3612227 7.575339       0.5352667 6.267905       0.4894891 2.486750       1.379340  
1 1 1 0   12 40 o 101.2384 1.623770  102.9569       3.287236  101.4468       4.665544  104.4455       4.632342  -1.484131      3.247540  
1 1 1 0   12 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   12 42 o 79.95767 1.871450  64.15855       2.992736  64.15855       2.992736  ?              ?         ?              ?         
1 1 1 0   12 43 o 60.96014 0.9715518 35.60730       1.078775  41.20523       2.057273  33.48431       1.266927  6.269932       1.943104  
1 1 1 0   12 44 o 74.13486 1.312235  55.17702       1.943775  55.80435       2.818140  54.60775       2.684548  0.7910156      2.624469  
1 1 1 0   12 45 o 40.08448 0.7106140 16.07085       0.5686087 14.72843       0.7898831 17.51472       0.8191855 -3.473366      1.421228  
1 1 1 0   12 46 o 70.92419 0.8853911 50.38621       1.255409  49.00213       1.745856  51.86814       1.806533  -2.014565      1.770782  
1 1 1 0   12 47 o 56.19401 0.7827313 31.63286       0.8794835 30.68169       1.232119  32.62090       1.255773  -1.723221      1.565463  
1 1 1 0   12 48 o 47.59637 0.7457397 22.62877       0.7081832 23.71023       1.046347  21.71463       0.9620047 2.088039       1.491479  
1 1 1 0   12 49 o 39.80895 0.7316849 15.88543       0.5819110 15.77503       0.8413571 15.98667       0.8056938 -0.2694206     1.463370  
1 1 1 0   12 50 o 6.362999 1.606629  0.1461277      0.2977494 0.7153826      0.4561142 -0.2765963     0.3930508 4.006663       3.213257  
1 1 1 0   12 51 o 60.55832 0.8319913 36.78907       1.007282  36.80579       1.445079  36.77325       1.404800  0.2143097E-01  1.663983  
1 1 1 0   12 52 o 46.66496 0.7712582 21.58871       0.7147918 23.99125       1.092671  19.79146       0.9450567 4.479866       1.542516  
1 1 1 0   12 53 o 41.31229 0.9360865 17.21678       0.7695178 16.23175       1.126022  18.07993       1.054063  -2.248989      1.872173  
1 1 1 0   12 54 f 11.69090 1.725323  1.356817       0.4236515 2.559608       0.6432254 0.4352799      0.5630208 8.433771       3.450646  
1 1 1 0   12 55 o 22.55529 1.143452  5.141690       0.5143431 4.893860       0.7441359 5.368403       0.7117280 -1.060026      2.286905  
1 1 1 0   12 56 o 21.07757 1.230891  4.463342       0.5165524 5.102981       0.7571189 3.906322       0.7065328 2.824926       2.461782  
1 1 1 0   12 57 o 61.72097 1.476799  37.66726       1.669563  41.16772       3.111108  36.25142       1.978607  3.582363       2.953597  
1 1 1 0   12 58 o 53.96848 2.362436  29.68709       2.549942  29.68709       2.549942  ?              ?         ?              ?         
1 1 1 0   13 1  o 188.3651 1.988597  351.2108       7.426116  382.1921       11.44488  328.6822       9.759538  14.19379       3.977194  
1 1 1 0   13 2  o 68.93333 0.9876705 47.96836       1.300208  45.99245       2.169099  49.07648       1.624383  -2.238564      1.975341  
1 1 1 0   13 3  o 237.8223 3.213625  564.4064       14.91180  573.7396       23.96824  558.5125       19.04690  3.153229       6.427249  
1 1 1 0   13 4  o 559.6785 8.267192  3151.287       92.53571  3142.458       130.2108  3160.295       131.5297  -1.559326      16.53438  
1 1 1 0   13 5  o 72.88730 1.201051  52.75844       1.741814  56.71401       2.630045  49.66800       2.324709  4.832314       2.402102  
1 1 1 0   13 6  o 250.1908 3.368079  627.8699       16.57215  633.5779       21.60933  619.7189       25.82261  2.817184       6.736159  
1 1 1 0   13 7  o 317.8252 4.038558  1015.925       24.38723  1025.252       30.18004  998.3755       41.39726  4.385742       8.077116  
1 1 1 0   13 8  o 178.4423 1.879636  318.4744       6.707052  321.7499       9.588808  315.3367       9.384887  1.795547       3.759272  
1 1 1 0   13 9  o 403.1565 4.187075  1627.651       33.74431  1655.989       48.64032  1601.356       46.85316  6.745789       8.374150  
1 1 1 0   13 10 o 97.86597 1.079235  95.71124       2.111059  97.91989       3.052095  93.68539       2.923059  2.162827       2.158470  
1 1 1 0   13 11 o 226.7655 2.371021  514.1116       10.74461  526.1503       15.57483  503.1793       14.84198  5.056961       4.742042  
1 1 1 0   13 12 o 308.7134 3.213576  952.3901       19.80484  923.2671       27.04503  986.0663       29.08237  -10.13895      6.427153  
1 1 1 0   13 13 o 119.8322 1.292920  142.4636       3.078236  134.1145       4.081395  153.4785       4.687922  -8.075508      2.585840  
1 1 1 0   13 14 o 292.5664 3.046916  856.0939       17.80816  879.7524       25.93539  834.9898       24.49535  7.625122       6.093832  
1 1 1 0   13 15 o 156.1626 1.655256  243.2565       5.156852  253.8345       7.622838  234.3305       7.002384  6.238403       3.310512  
1 1 1 0   13 16 o 221.7285 2.321464  492.0471       10.29284  497.3917       14.72478  486.9403       14.39342  2.351486       4.642928  
1 1 1 0   13 17 o 66.31071 0.7931036 43.92116       1.050898  45.26125       1.525697  42.71141       1.449609  1.922195       1.586207  
1 1 1 0   13 18 o 27.05987 0.5988408 7.321903       0.3240669 7.415766       0.4616944 7.230749       0.4549791 0.3418350      1.197682  
1 1 1 0   13 19 o 67.58704 0.8055961 45.02501       1.077921  50.27083       1.675645  41.32169       1.407897  6.618752       1.611192  
1 1 1 0   13 20 o 255.1136 2.665242  651.8481       13.59868  650.1331       19.18514  653.5800       19.27807  -0.6736145     5.330483  
1 1 1 0   13 21 o 180.7263 1.906262  326.6615       6.885858  320.5015       9.536878  333.3702       9.952565  -3.553574      3.812525  
1 1 1 0   13 22 o 185.2468 1.951196  343.4554       7.228305  346.2068       10.31154  340.7972       10.13547  1.457016       3.902392  
1 1 1 0   13 23 o 116.7406 1.270256  136.3413       2.965791  136.7013       4.202947  135.9843       4.185632  0.3068848      2.540512  
1 1 1 0   13 24 o 195.7741 2.060034  383.1165       8.054665  395.0818       11.77062  372.5792       11.04592  5.731720       4.120067  
1 1 1 0   13 25 o 117.6331 1.278392  138.2576       3.004444  134.5899       4.135777  142.3561       4.371902  -3.297707      2.556783  
1 1 1 0   13 26 o 184.3000 1.943355  339.7914       7.157707  347.4010       10.36812  332.8624       9.893593  3.933426       3.886711  
1 1 1 0   13 27 o 137.7335 1.476789  189.3616       4.059482  182.6277       5.529015  197.2370       5.979340  -5.294586      2.953578  
1 1 1 0   13 28 o 41.90665 0.6593353 17.51157       0.5517365 16.33319       0.7576995 18.84164       0.8049926 -2.992420      1.318671  
1 1 1 0   13 29 o 149.4184 1.594449  223.2917       4.760757  218.0972       6.571805  229.0281       6.906083  -3.648804      3.188897  
1 1 1 0   13 30 f 97.13824 1.087211  94.18976       2.107959  97.94268       3.101394  90.96742       2.873807  3.585320       2.174421  
1 1 1 0   13 31 o 78.95441 0.9195630 62.32321       1.451048  63.62605       2.099616  61.13198       2.007654  1.577469       1.839126  
1 1 1 0   13 32 o 114.6155 1.254040  131.5251       2.874618  130.9295       4.054098  132.1273       4.076642  -0.5217819     2.508079  
1 1 1 0   13 33 o 109.3346 1.203555  119.6497       2.631062  117.7135       3.668141  121.7013       3.775968  -1.819481      2.407110  
1 1 1 0   13 34 o 86.44121 0.9901890 74.75865       1.711373  73.40826       2.385579  76.19049       2.456471  -1.606873      1.980378  
1 1 1 0   13 35 o 78.88081 0.9235275 61.94926       1.450892  65.82993       2.175073  58.83822       1.947483  4.422981       1.847055  
1 1 1 0   13 36 o 17.15342 0.8252013 2.962047       0.2814545 2.705146       0.4081503 3.194973       0.3886396 -1.428513      1.650403  
1 1 1 0   13 37 o 40.96114 0.7361069 16.85637       0.6005755 18.26442       0.8393524 15.37924       0.8596970 3.522591       1.472214  
1 1 1 0   13 38 o 9.954577 1.786711  0.9760494      0.3083810 1.106139       0.6684933 0.9408820      0.3475732 0.8651695      3.573422  
1 1 1 0   13 39 o 24.96631 1.094563  6.290641       0.5412595 5.862152       0.8071976 6.640694       0.7295861 -1.564083      2.189126  
1 1 1 0   13 40 o 86.65044 1.254185  72.16946       1.949350  68.51369       2.269935  82.43964       3.804627  -7.905556      2.508371  
1 1 1 0   13 41 o 60.24506 0.7868346 36.29897       0.9470836 37.18864       1.376952  35.50019       1.304722  1.397316       1.573669  
1 1 1 0   13 42 o 52.13734 0.7412521 26.89166       0.7668533 29.79074       1.178131  24.76042       1.010137  4.813972       1.482504  
1 1 1 0   13 43 o 88.36038 1.249841  78.40028       2.097521  78.43731       2.589293  78.32961       3.577390  0.1697922      2.499682  
1 1 1 0   13 44 o 92.18592 1.488579  85.27869       2.738532  81.96429       3.726866  89.16860       4.037498  -3.860107      2.977157  
1 1 1 0   13 45 o 57.98020 1.085031  33.73652       1.258166  33.60773       1.770967  33.86776       1.787782  -0.2222824     2.170061  
1 1 1 0   13 46 o 48.88933 0.9925282 23.76582       0.9657110 21.82937       1.290175  26.23308       1.456311  -4.484200      1.985056  
1 1 1 0   13 47 o 72.22491 0.9097413 52.17770       1.312268  49.37354       1.800028  55.35868       1.917159  -4.129539      1.819483  
1 1 1 0   13 48 o 31.76924 0.7401318 9.993279       0.4671334 11.19978       0.7125700 9.084002       0.6186036 3.320414       1.480264  
1 1 1 0   13 49 o 34.19388 0.7376980 11.63655       0.5026058 12.71272       0.7512858 10.76471       0.6762110 2.840401       1.475396  
1 1 1 0   13 50 o 14.14005 1.181993  2.026846       0.3305575 1.894064       0.4963199 2.132700       0.4431443 -0.8535261     2.363987  
1 1 1 0   13 51 o 68.44344 0.8911305 47.00046       1.218908  47.72789       1.763966  46.33573       1.686251  1.004890       1.782261  
1 1 1 0   13 52 o 32.50565 0.8847868 10.61376       0.5748666 10.36365       0.8207368 10.85464       0.8054470 -0.7576408     1.769574  
1 1 1 0   13 53 o 41.54814 1.012958  17.34826       0.8413684 17.73398       1.211778  16.98922       1.169118  0.8878860      2.025917  
1 1 1 0   13 54 o 63.56020 1.184154  40.51636       1.500294  38.23629       2.023376  43.30079       2.235992  -3.932171      2.368307  
1 1 1 0   13 55 o 50.51148 1.069821  25.69536       1.080678  25.78319       1.539195  25.60997       1.517652  0.1663818      2.139642  
1 1 1 0   13 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   13 57 o 57.90439 1.149214  33.83980       1.330729  33.63732       1.865234  34.04971       1.899093  -0.3463364     2.298428  
1 1 1 0   13 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   14 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   14 1  o 255.4703 5.337296  0.000000       0.000000  ?              ?         653.6879       27.27041  ?              ?         
1 1 1 0   14 2  o 222.2352 3.292775  488.6994       14.48851  456.3885       18.95366  534.1215       22.47250  -17.44266      6.585550  
1 1 1 0   14 3  o 364.2828 4.804750  1333.311       34.42698  1346.180       44.91574  1314.984       53.60210  4.450592       9.609501  
1 1 1 0   14 4  o 225.3627 2.357120  507.0122       10.60251  490.5242       14.45340  526.2215       15.60067  -7.908691      4.714239  
1 1 1 0   14 5  o 152.8848 1.621460  232.4499       4.933808  247.0958       7.429708  220.8965       6.598867  8.562500       3.242920  
1 1 1 0   14 6  o 45.16588 0.6421510 20.26829       0.5779082 18.90091       0.7773718 21.95761       0.8640547 -3.383606      1.284302  
1 1 1 0   14 7  f 368.4107 3.832515  1359.032       28.22256  1384.064       40.74291  1335.941       39.13131  6.502289       7.665031  
1 1 1 0   14 8  f 294.2844 3.068087  867.0672       18.05573  872.8923       25.76377  861.4448       25.31156  1.938171       6.136174  
1 1 1 0   14 9  o 212.4810 2.225855  449.1077       9.410611  426.8854       12.57122  477.4341       14.19312  -11.87637      4.451710  
1 1 1 0   14 10 o 241.2121 2.519756  582.3020       12.15426  577.0676       17.02146  587.7474       17.36101  -2.209152      5.039512  
1 1 1 0   14 11 o 382.7558 3.981888  1467.583       30.45982  1498.538       44.08585  1439.308       42.13379  7.692963       7.963775  
1 1 1 0   14 12 o 113.0414 1.227896  127.4093       2.769135  133.3555       4.094279  122.3961       3.759411  4.844971       2.455792  
1 1 1 0   14 13 o 182.2582 1.918779  332.2619       6.991630  327.2740       9.728919  337.5891       10.05443  -2.825623      3.837559  
1 1 1 0   14 14 o 146.0017 1.555014  212.9516       4.534959  219.3373       6.615629  207.2911       6.228652  4.121002       3.110029  
1 1 1 0   14 15 o 122.3307 1.320186  149.3694       3.224077  155.0267       4.734758  144.4783       4.402426  4.308006       2.640372  
1 1 1 0   14 16 o 335.1414 3.490731  1126.305       23.39749  1123.047       32.99212  1129.602       33.18683  -0.9724731     6.981461  
1 1 1 0   14 17 o 167.3720 1.769352  280.2541       5.921478  283.6690       8.482317  277.0078       8.270182  1.987000       3.538703  
1 1 1 0   14 18 o 327.2847 3.409971  1073.840       22.31924  1080.863       31.77748  1067.004       31.35510  2.105957       6.819942  
1 1 1 0   14 19 o 185.7176 1.957298  344.8890       7.264103  353.0959       10.53209  337.4429       10.03212  4.205963       3.914596  
1 1 1 0   14 20 o 196.8312 2.071793  387.4538       8.148853  378.9439       11.24837  396.8528       11.82141  -4.538666      4.143586  
1 1 1 0   14 21 o 92.21458 1.037109  85.01749       1.912060  83.55429       2.661555  86.57803       2.748671  -1.638680      2.074217  
1 1 1 0   14 22 o 136.5621 1.463533  186.4859       3.995200  183.1020       5.543936  190.1419       5.762536  -2.574326      2.927067  
1 1 1 0   14 23 o 183.0548 1.930405  335.2802       7.064064  329.6432       9.810979  341.3483       10.17939  -3.189514      3.860810  
1 1 1 0   14 24 o 131.8676 1.419763  173.9509       3.743564  171.6609       5.227214  176.3622       5.363826  -1.780365      2.839525  
1 1 1 0   14 25 o 253.9242 2.656389  645.9089       13.48197  658.9766       19.48312  633.9025       18.67530  4.910599       5.312778  
1 1 1 0   14 26 o 66.59534 0.8181581 44.21301       1.086887  46.34322       1.608496  42.42313       1.474421  2.941635       1.636316  
1 1 1 0   14 27 o 227.1835 2.383906  517.0060       10.82367  528.4764       15.67166  506.5445       14.96662  4.800018       4.767812  
1 1 1 0   14 28 o 239.8770 2.515020  577.0327       12.06211  569.1060       16.80751  585.4510       17.32087  -3.383881      5.030040  
1 1 1 0   14 29 o 73.95572 0.8777543 54.41315       1.292953  57.99675       1.938035  51.53884       1.735678  4.362236       1.755509  
1 1 1 0   14 30 o 18.51196 0.8352764 3.514505       0.2925004 2.173267       0.4055598 4.968487       0.4222616 -7.549450      1.670553  
1 1 1 0   14 31 o 65.47419 0.8093689 42.82658       1.059002  41.24121       1.462488  44.57415       1.535486  -2.543533      1.618738  
1 1 1 0   14 32 f 127.5329 1.381183  162.9010       3.522388  161.0476       4.929422  164.8348       5.035076  -1.479980      2.762366  
1 1 1 0   14 33 o 70.65962 0.8522633 49.96376       1.204350  50.00910       1.712253  49.91937       1.694306  0.6295776E-01  1.704527  
1 1 1 0   14 34 o 67.82352 0.8312423 45.41495       1.116620  50.44257       1.731651  41.83650       1.460920  6.334793       1.662485  
1 1 1 0   14 35 o 55.10035 0.8114597 30.57716       0.8879233 28.33296       1.305043  32.51143       1.211585  -3.795151      1.622919  
1 1 1 0   14 36 f 29.94239 1.402251  9.536261       0.7900738 11.56144       1.037438  6.739846       1.219077  8.063538       2.804502  
1 1 1 0   14 37 o 34.38234 1.002816  11.42275       0.6759839 14.07901       1.096484  9.794213       0.8585517 6.218203       2.005632  
1 1 1 0   14 38 o 39.54193 0.6765579 15.54692       0.5327699 16.71589       0.7997488 14.61423       0.7143615 2.654152       1.353116  
1 1 1 0   14 39 f 23.22161 0.7425289 5.443735       0.3418724 4.763474       0.4932938 6.072437       0.4742307 -2.819376      1.485058  
1 1 1 0   14 40 o 57.02987 0.7659376 32.52382       0.8724869 33.27267       1.272325  31.85909       1.198727  1.235363       1.531875  
1 1 1 0   14 41 f 116.0585 1.283642  135.1840       2.979308  133.7468       4.180754  136.6670       4.246778  -1.251213      2.567284  
1 1 1 0   14 42 o 56.31151 0.7728693 31.74456       0.8698256 32.08194       1.256526  31.43412       1.205310  0.5717163      1.545739  
1 1 1 0   14 43 o 64.93677 1.227016  42.08530       1.588584  38.57270       2.150615  46.30333       2.356697  -5.926804      2.454032  
1 1 1 0   14 44 o 32.12144 0.7237164 10.35395       0.4629966 9.207754       0.6512408 11.52538       0.6583695 -3.607059      1.447433  
1 1 1 0   14 45 o 59.43986 0.8022559 35.38745       0.9534498 34.32173       1.331933  36.50749       1.365455  -1.835487      1.604512  
1 1 1 0   14 46 o 19.35254 0.8902287 3.790038       0.3401504 3.105113       0.4822211 4.468325       0.4798782 -3.522312      1.780457  
1 1 1 0   14 47 o 73.26028 1.103153  54.14755       1.556840  54.78034       1.960956  53.06867       2.560496  1.257088       2.206306  
1 1 1 0   14 48 o 36.22927 0.9491662 13.14853       0.6870384 12.40338       0.9494184 13.96768       0.9954534 -2.152569      1.898332  
1 1 1 0   14 49 o 8.790865 1.795143  0.7292327      0.3671654 1.284269       0.5347565 0.2342104      0.5050191 4.508171       3.590285  
1 1 1 0   14 50 o 33.58784 0.8540330 11.45512       0.5552410 10.76549       0.8921895 11.89106       0.7093459 -1.702141      1.708066  
1 1 1 0   14 51 o 23.33528 1.008913  5.407914       0.4669594 6.498267       0.7004031 4.535470       0.6265177 4.192524       2.017826  
1 1 1 0   14 52 o 29.07051 1.013759  8.487486       0.5889760 8.951970       0.8478987 8.054397       0.8187422 1.538214       2.027519  
1 1 1 0   14 53 o 61.42502 1.158015  37.95435       1.420969  36.77559       1.953135  39.27988       2.071163  -2.011086      2.316030  
1 1 1 0   14 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   14 55 o 62.74352 1.198290  39.59216       1.499579  37.95980       2.032089  41.54401       2.222074  -2.804424      2.396580  
1 1 1 0   14 56 o 39.38290 1.039424  15.60929       0.8181869 16.27018       1.181957  15.00123       1.133731  1.598442       2.078848  
1 1 1 0   14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   15 1  o 272.5959 3.514709  732.7452       17.62823  715.3287       21.01303  774.1253       32.38953  -10.58102      7.029419  
1 1 1 0   15 2  o 143.9142 2.166898  207.2330       6.236392  208.9096       8.891453  205.6096       8.749441  1.144897       4.333796  
1 1 1 0   15 3  o 175.8523 2.622008  308.3033       9.190063  295.3824       12.39705  324.0663       13.69276  -8.137756      5.244017  
1 1 1 0   15 4  o 289.2634 4.267181  838.4869       24.67217  854.6176       35.63068  823.6284       34.19690  5.323700       8.534362  
1 1 1 0   15 5  o 151.7903 1.998845  225.2590       5.533679  243.3825       10.37894  218.0611       6.540902  8.299240       3.997691  
1 1 1 0   15 6  o 317.1918 3.303586  999.8730       20.81453  943.8890       27.57924  1073.963       31.72703  -20.42599      6.607171  
1 1 1 0   15 7  o 167.1345 1.766149  279.4157       5.902436  276.2997       8.246225  282.6892       8.452196  -1.909348      3.532298  
1 1 1 0   15 8  f 268.2310 2.799703  720.4637       15.01925  722.1251       21.28539  718.8162       21.19575  0.6152344      5.599405  
1 1 1 0   15 9  f 304.5195 3.176324  929.0622       19.34504  928.5479       27.33778  929.5779       27.37829  -0.1682739     6.352648  
1 1 1 0   15 10 o 382.5840 3.980583  1464.100       30.38185  1525.182       44.90344  1412.527       41.26022  14.62103       7.961166  
1 1 1 0   15 11 o 19.20968 0.6718014 3.690463       0.2580593 3.780476       0.3660783 3.601550       0.3638340 0.4657059      1.343603  
1 1 1 0   15 12 o 177.0924 1.867986  313.8500       6.615901  312.4592       9.311030  315.2682       9.402230  -0.7917328     3.735972  
1 1 1 0   15 13 o 122.1649 1.318744  149.0856       3.218254  145.1313       4.423654  153.5316       4.690671  -3.435265      2.637488  
1 1 1 0   15 14 f 100.6431 1.109133  101.1881       2.230303  98.57239       3.072381  104.1020       3.242761  -2.745621      2.218266  
1 1 1 0   15 15 o 157.8404 1.673706  249.2688       5.283189  250.9170       7.525515  247.6670       7.418745  1.028122       3.347411  
1 1 1 0   15 16 o 198.5124 2.085948  394.4044       8.280708  397.9510       11.82252  390.9890       11.60197  1.749832       4.171897  
1 1 1 0   15 17 f 195.4099 2.055106  382.2398       8.031698  383.1172       11.38542  381.3707       11.33184  0.4459381      4.110211  
1 1 1 0   15 18 o 42.22602 0.6478520 17.80360       0.5466751 18.60086       0.7925192 17.07991       0.7550704 1.800743       1.295704  
1 1 1 0   15 19 f 136.7451 1.465422  185.8801       3.986227  198.4175       6.023833  176.1128       5.316877  8.145874       2.930844  
1 1 1 0   15 20 o 153.9051 1.642014  237.0482       5.054245  237.1307       7.162416  236.9663       7.133237  0.5293274E-01  3.284027  
1 1 1 0   15 21 o 337.3078 3.516356  1142.011       23.72182  1140.402       33.49957  1143.630       33.59608  -0.4748535     7.032713  
1 1 1 0   15 22 f 196.6654 2.070751  387.1265       8.141823  381.3180       11.32916  393.3309       11.70878  -3.045303      4.141501  
1 1 1 0   15 23 o 229.7713 2.408386  528.9712       11.06711  526.1699       15.56701  531.8340       15.73688  -1.227615      4.816772  
1 1 1 0   15 24 o 157.1708 1.671951  247.1227       5.252679  242.4580       7.282956  252.1796       7.582943  -3.085785      3.343901  
1 1 1 0   15 25 o 196.0929 2.066294  385.1425       8.101870  380.5922       11.31396  389.9318       11.60721  -2.371994      4.132589  
1 1 1 0   15 26 o 91.13345 1.032746  82.44118       1.871238  88.93482       2.839086  77.45359       2.488161  6.293068       2.065491  
1 1 1 0   15 27 o 109.9493 1.209467  120.6271       2.653387  116.0373       3.606883  126.0408       3.917207  -4.541748      2.418934  
1 1 1 0   15 28 o 106.6013 1.176251  112.8721       2.492387  121.2974       3.785436  106.4246       3.311458  6.963242       2.352501  
1 1 1 0   15 29 o 98.61932 1.100757  96.83138       2.161907  102.6951       3.241928  92.13552       2.901170  5.344055       2.201514  
1 1 1 0   15 30 o 51.60292 0.7101091 26.62475       0.7326265 25.71373       1.023231  27.58306       1.049447  -1.810692      1.420218  
1 1 1 0   15 31 o 104.7952 1.161436  108.9812       2.417761  102.0755       3.201963  118.1410       3.687723  -7.646187      2.322872  
1 1 1 0   15 32 o 47.11959 0.6859180 22.17464       0.6455152 22.92358       0.9431838 21.51473       0.8853511 1.493492       1.371836  
1 1 1 0   15 33 o 32.56153 0.8610508 11.20494       0.5110959 9.082317       0.8868182 12.26062       0.6254079 -4.889906      1.722102  
1 1 1 0   15 34 o 101.1918 1.614733  102.6843       3.265920  104.4824       4.717839  101.0298       4.525576  1.691559       3.229466  
1 1 1 0   15 35 o 37.34962 1.274907  13.96624       0.9523457 13.96624       0.9523457 ?              ?         ?              ?         
1 1 1 0   15 36 o 81.53903 0.9541729 66.55646       1.555771  65.32471       2.175641  67.84541       2.225595  -1.543106      1.908346  
1 1 1 0   15 37 o 38.04207 0.6758714 14.47137       0.5133635 13.33635       0.7153103 15.67691       0.7371954 -3.075405      1.351743  
1 1 1 0   15 38 o 96.86949 1.097813  94.02785       2.126481  92.57851       2.971807  95.54855       3.044093  -1.527534      2.195625  
1 1 1 0   15 39 o 71.79297 0.8784363 51.62342       1.261269  51.32664       1.787506  51.91768       1.779925  -0.4121017     1.756873  
1 1 1 0   15 40 o 31.66283 0.6893961 9.989749       0.4353443 10.65598       0.6459053 9.435142       0.5893182 1.924702       1.378792  
1 1 1 0   15 41 o 36.31142 0.6970358 13.21020       0.5057027 12.53493       0.7153729 13.88471       0.7149705 -1.858643      1.394072  
1 1 1 0   15 42 f 10.93046 1.376842  1.193880       0.2853319 1.951123       0.4406471 0.6471182      0.3744315 6.025849       2.753685  
1 1 1 0   15 43 o 9.690096 1.489872  0.9963529      0.2793745 0.8552446      0.4197654 1.108561       0.3743190 -1.302112      2.979744  
1 1 1 0   15 44 o 31.96649 0.7262999 10.22410       0.4619336 8.862096       0.6395877 11.70926       0.6678758 -4.450974      1.452600  
1 1 1 0   15 45 o 36.14116 0.7147866 13.07076       0.5154375 13.29688       0.7582751 12.87654       0.7027634 0.5764694      1.429573  
1 1 1 0   15 46 o 18.03995 0.9189790 3.258081       0.3308289 3.362897       0.4872675 3.168445       0.4506057 0.5343781      1.837958  
1 1 1 0   15 47 o 31.67127 0.7410712 9.824259       0.4638929 11.71706       0.7257053 8.516435       0.6032298 5.039869       1.482142  
1 1 1 0   15 48 o 37.26519 0.7444490 13.91059       0.5538021 14.05840       0.8102467 13.78100       0.7586824 0.3664818      1.488898  
1 1 1 0   15 49 o 50.46290 0.7843975 25.53895       0.7911823 24.36341       1.111876  26.74467       1.126060  -2.357533      1.568795  
1 1 1 0   15 50 f 37.91401 0.8823780 14.34440       0.6539695 14.03480       0.8361607 14.83211       1.049473  -1.018394      1.764756  
1 1 1 0   15 51 o 39.45033 0.9855880 15.64207       0.7776248 15.52934       1.097170  15.75586       1.102303  -0.2861595     1.971176  
1 1 1 0   15 52 o 51.94862 2.076193  0.000000       0.000000  ?              ?         27.31464       2.157108  ?              ?         
1 1 1 0   15 53 o 10.70414 2.974728  1.213509       0.6593547 1.213509       0.6593547 ?              ?         ?              ?         
1 1 1 0   15 54 o 68.56574 1.237196  47.46192       1.696464  47.94007       2.416974  46.99760       2.381738  0.6775360      2.474393  
1 1 1 0   15 55 o 34.05318 1.028922  11.67938       0.7007036 11.84589       0.9985130 11.51782       0.9835456 0.4779282      2.057843  
1 1 1 0   15 56 o 45.47760 1.059555  20.84054       0.9636135 20.95511       1.374538  20.72981       1.351271  0.2416840      2.119110  
1 1 1 0   16 0  o 243.5149 3.600402  593.1277       17.52011  579.9765       24.18639  607.6471       25.41347  -5.666534      7.200805  
1 1 1 0   16 1  o 236.7192 2.475240  560.9484       11.71745  556.4930       16.42623  565.5644       16.71963  -1.911102      4.950480  
1 1 1 0   16 2  o 188.5577 1.984416  355.2605       7.473697  345.7166       10.25928  366.0525       10.90946  -5.383636      3.968832  
1 1 1 0   16 3  o 384.8600 4.005229  1482.330       30.76572  1538.503       45.27646  1434.145       41.93411  13.46451       8.010459  
1 1 1 0   16 4  o 182.8087 1.926628  332.7912       7.014519  351.7191       10.51207  317.5984       9.417929  9.317276       3.853256  
1 1 1 0   16 5  o 55.84331 0.9038845 29.81021       0.9123194 28.12561       1.066277  34.41311       1.762537  -5.625004      1.807769  
1 1 1 0   16 6  f 152.5348 2.291074  232.5596       6.980219  239.8495       10.18937  226.1134       9.581676  4.492050       4.582148  
1 1 1 0   16 7  o 19.37026 0.9269050 3.762931       0.3574455 4.190508       0.5066472 3.339190       0.5043690 2.197468       1.853810  
1 1 1 0   16 8  o 112.3755 1.727559  126.3651       3.882616  125.9660       5.469029  126.7706       5.512930  -0.3574066     3.455118  
1 1 1 0   16 9  o 149.9764 1.985297  217.7590       5.364340  242.0974       10.33670  208.7882       6.275562  11.04056       3.970593  
1 1 1 0   16 10 o 186.0026 2.400576  346.0483       8.410619  347.5222       14.61178  345.3180       10.28535  0.5109406      4.801152  
1 1 1 0   16 11 o 176.2154 1.860007  310.6205       6.552837  315.5122       9.421224  306.0364       9.120322  2.684326       3.720014  
1 1 1 0   16 12 o 34.84190 0.6035452 12.09465       0.4197348 11.17500       0.5746920 13.14610       0.6144943 -2.828453      1.207090  
1 1 1 0   16 13 o 177.7309 1.875373  316.0493       6.664683  319.9875       9.549552  312.3096       9.305747  2.156296       3.750746  
1 1 1 0   16 14 o 122.5966 1.325077  150.0097       3.242775  155.8203       4.766531  145.0031       4.424498  4.407852       2.650154  
1 1 1 0   16 15 o 219.5935 2.301836  482.8476       10.10916  481.2201       14.24254  484.5002       14.35110  -0.7446136     4.603673  
1 1 1 0   16 16 o 194.4333 2.046113  378.3579       7.954903  374.0769       11.11152  382.8592       11.39365  -2.253128      4.092225  
1 1 1 0   16 17 o 124.4082 1.343799  154.7980       3.342689  156.9820       4.794812  152.7329       4.662516  1.706009       2.687598  
1 1 1 0   16 18 o 92.21149 1.037038  84.96734       1.910976  87.15276       2.770864  82.98495       2.639010  2.258514       2.074076  
1 1 1 0   16 19 o 309.0725 3.224020  958.2905       19.92906  959.3267       28.22274  957.2598       28.14532  0.3316650      6.448040  
1 1 1 0   16 20 o 55.52894 0.7343993 30.26369       0.8063397 34.72364       1.261965  27.18657       1.048225  6.784824       1.468799  
1 1 1 0   16 21 f 60.04950 0.7703618 35.49895       0.9161015 40.14006       1.422683  32.21141       1.197380  6.599651       1.540724  
1 1 1 0   16 22 o 128.9906 1.392709  166.2345       3.588073  171.5664       5.240504  161.5291       4.922970  3.884682       2.785418  
1 1 1 0   16 23 o 120.2845 1.307648  144.7371       3.144879  142.6670       4.384125  146.9313       4.513769  -1.769981      2.615296  
1 1 1 0   16 24 o 35.98693 0.6691781 12.95062       0.4815578 12.63318       0.6761523 13.27739       0.6860056 -0.8949585     1.338356  
1 1 1 0   16 25 o 81.80920 0.9512213 65.99368       1.540090  73.52171       2.397415  60.70427       2.009583  7.826828       1.902443  
1 1 1 0   16 26 o 162.5001 1.728568  264.5253       5.617351  266.3922       8.007791  262.7165       7.881971  1.126236       3.457136  
1 1 1 0   16 27 f 141.2803 1.517067  199.5212       4.279542  206.4767       6.272173  193.4626       5.853833  4.590347       3.034134  
1 1 1 0   16 28 o 100.0171 1.114931  99.97732       2.227213  102.9946       3.252592  97.31357       3.056093  2.833824       2.229861  
1 1 1 0   16 29 o 49.26887 0.6995142 24.01159       0.6844248 26.58603       1.046663  22.08841       0.9046402 4.561142       1.399028  
1 1 1 0   16 30 o 118.4343 1.610400  137.3146       3.468191  148.5535       6.538769  132.9150       4.091079  6.468163       3.220800  
1 1 1 0   16 31 o 104.4905 1.655743  109.5261       3.460150  109.0877       4.897181  109.9632       4.889610  -0.4194489     3.311485  
1 1 1 0   16 32 f 85.35571 1.408440  72.96505       2.401968  74.62582       3.490194  71.47073       3.310700  1.836838       2.816881  
1 1 1 0   16 33 o 99.10026 1.112520  98.36510       2.204827  98.90701       3.142429  97.83966       3.094320  0.5359650      2.225041  
1 1 1 0   16 34 o 26.99561 0.9019253 7.062133       0.4786057 9.149779       0.7538449 5.652413       0.6194695 6.471357       1.803851  
1 1 1 0   16 35 o 79.86545 0.9410099 63.60013       1.499000  60.33549       2.030465  67.51084       2.222314  -4.482224      1.882020  
1 1 1 0   16 36 o 64.84318 0.8194108 42.01834       1.061004  43.40119       1.553274  40.80871       1.452738  1.994022       1.638822  
1 1 1 0   16 37 o 54.06360 0.7504985 29.20635       0.8107289 27.85154       1.118535  30.70592       1.176768  -2.636780      1.500997  
1 1 1 0   16 38 o 8.023045 1.569489  0.6635047      0.2593781 0.7032893      0.3857075 0.6306604      0.3504534 0.4302993      3.138978  
1 1 1 0   16 39 o 26.08033 0.7293050 6.548309       0.3725287 8.731600       0.5932834 5.127197       0.4786529 6.903364       1.458610  
1 1 1 0   16 40 o 39.61206 0.6904900 15.71460       0.5467924 15.53612       0.7823799 15.88501       0.7644929 -0.4414940     1.380980  
1 1 1 0   16 41 o 15.11045 1.022771  2.221323       0.3023247 3.009199       0.4709129 1.668908       0.3943159 4.427077       2.045541  
1 1 1 0   16 42 o 29.41775 0.7826817 8.687340       0.4584115 9.716138       0.6522812 7.683331       0.6443746 3.454411       1.565363  
1 1 1 0   16 43 o 31.39839 0.7292080 9.881180       0.4571573 9.779045       0.6641097 9.973169       0.6302543 -0.3120079     1.458416  
1 1 1 0   16 44 o 51.34892 0.7572427 26.36360       0.7762148 27.32540       1.140250  25.53299       1.059644  1.737549       1.514485  
1 1 1 0   16 45 o 42.69646 0.7336873 18.25860       0.6261337 17.37822       0.8758326 19.17891       0.8954673 -2.106758      1.467375  
1 1 1 0   16 46 o 18.84877 0.9176556 3.530297       0.3441310 3.921445       0.5198926 3.225270       0.4591056 1.838770       1.835311  
1 1 1 0   16 47 o 34.96170 0.7411429 12.26243       0.5176194 11.97675       0.7450253 12.52901       0.7196811 -0.7925949     1.482286  
1 1 1 0   16 48 o 65.17088 0.8625567 42.62767       1.124134  42.01735       1.593560  43.23221       1.585999  -0.9331512     1.725113  
1 1 1 0   16 49 o 29.52027 0.8503703 8.786719       0.4996954 9.478652       0.6941071 8.042297       0.7199535 2.436686       1.700741  
1 1 1 0   16 50 o 36.17753 1.675454  12.85148       0.8963503 13.92707       2.253114  12.64924       0.9769909 1.397388       3.350909  
1 1 1 0   16 51 o 76.48609 2.708350  59.70824       4.143022  59.70824       4.143022  ?              ?         ?              ?         
1 1 1 0   16 52 f 27.06099 1.052826  7.374184       0.5693858 7.346301       0.8203528 7.400102       0.7909200 -0.1061840     2.105651  
1 1 1 0   16 53 o 32.39296 0.9966686 10.54908       0.6453411 10.07889       0.8990635 11.04881       0.9268719 -1.490982      1.993337  
1 1 1 0   16 54 o 10.03055 1.959936  1.065852       0.4057804 1.027129       0.6001809 1.098456       0.5507239 -0.2847118     3.919872  
1 1 1 0   16 55 o 41.88927 1.037897  17.67900       0.8694829 17.64304       1.235693  17.71427       1.223665  -0.8809280E-01 2.075794  
1 1 1 0   16 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   17 1  o 253.2719 2.646009  642.4009       13.40176  647.7877       19.12107  637.1993       18.78920  2.083298       5.292018  
1 1 1 0   17 2  o 155.9910 1.655787  243.4644       5.165460  245.0695       7.352828  241.9004       7.258219  1.014587       3.311575  
1 1 1 0   17 3  o 303.5293 3.164617  923.0778       19.20568  935.1275       27.55297  911.6904       26.78518  3.841492       6.329233  
1 1 1 0   17 4  o 169.5591 1.793540  287.5289       6.078997  292.9674       8.769673  282.4986       8.434141  3.082352       3.587080  
1 1 1 0   17 5  o 62.63431 0.7718400 39.17279       0.9659727 40.69228       1.403658  37.80575       1.331388  2.303837       1.543680  
1 1 1 0   17 6  o 419.1890 4.365317  1764.366       36.59482  1750.390       51.35460  1778.784       52.16061  -3.359406      8.730635  
1 1 1 0   17 7  o 130.3349 1.400926  169.9395       3.651687  170.6798       5.187901  169.2125       5.140948  0.5624084      2.801853  
1 1 1 0   17 8  o 63.79086 0.7800841 40.38595       0.9902882 43.78584       1.494334  37.72365       1.322343  4.750549       1.560168  
1 1 1 0   17 9  o 255.6954 3.273232  656.2822       15.82218  658.0620       19.44460  652.7947       27.21969  1.235809       6.546464  
1 1 1 0   17 10 f 291.9690 3.944273  852.8312       22.44832  843.1889       28.62413  868.2365       36.18060  -4.036194      7.888545  
1 1 1 0   17 11 o 115.5203 1.772474  132.9905       4.081227  140.1245       6.080589  127.1419       5.505604  5.610168       3.544947  
1 1 1 0   17 12 o 215.6654 3.201252  464.6254       13.76492  487.1064       20.45614  446.0232       18.60794  9.471146       6.402504  
1 1 1 0   17 13 o 174.4719 2.606475  303.4213       9.056817  320.9213       13.57498  289.3832       12.15834  9.003876       5.212949  
1 1 1 0   17 14 o 161.3024 2.093642  260.5102       6.374332  260.4551       11.01634  260.5378       7.815573  -0.8947754E-01 4.187284  
1 1 1 0   17 15 o 147.3992 1.573147  217.3075       4.635657  213.7647       6.444274  221.1066       6.673344  -2.486786      3.146295  
1 1 1 0   17 16 o 102.5660 1.135400  105.1076       2.326788  108.0705       3.382047  102.4448       3.206144  2.740341       2.270800  
1 1 1 0   17 17 o 281.9052 2.943931  795.6948       16.57707  819.0651       24.18369  774.9816       22.76739  7.772552       5.887862  
1 1 1 0   17 18 o 132.3887 1.426968  175.3441       3.777545  177.3620       5.406904  173.4199       5.279873  1.486725       2.853935  
1 1 1 0   17 19 o 175.9126 1.860753  309.0445       6.532434  321.2919       9.624655  298.5838       8.894947  6.437286       3.721506  
1 1 1 0   17 20 o 115.8466 1.264457  134.1541       2.927269  137.4914       4.244180  131.1261       4.042730  2.743744       2.528913  
1 1 1 0   17 21 f 155.8561 1.661833  242.4579       5.166971  233.3507       7.013546  253.2679       7.641126  -6.373367      3.323666  
1 1 1 0   17 22 o 74.24817 0.8844045 54.77729       1.307096  58.86199       1.968335  51.55513       1.748208  4.917351       1.768809  
1 1 1 0   17 23 o 125.6987 1.361875  158.1131       3.422932  160.0633       4.904109  156.2606       4.779799  1.509438       2.723751  
1 1 1 0   17 24 o 174.7144 1.852617  305.3534       6.463998  315.3534       9.454715  296.5770       8.857437  5.349487       3.705233  
1 1 1 0   17 25 o 164.7318 1.751837  271.9163       5.771510  270.7127       8.126407  273.1412       8.198363  -0.7340851     3.503674  
1 1 1 0   17 26 o 146.2764 1.568227  213.5435       4.573017  224.2603       6.803457  204.7113       6.176369  6.655380       3.136454  
1 1 1 0   17 27 o 99.32040 1.203798  98.83319       2.366332  98.34863       3.612225  99.19746       3.131928  -0.4454575     2.407597  
1 1 1 0   17 28 f 144.5940 2.209107  209.9790       6.386562  212.7917       9.166513  207.3255       8.903167  1.870529       4.418214  
1 1 1 0   17 29 o 53.25492 1.067051  28.26401       1.133884  26.15019       1.544917  30.73226       1.669419  -4.297047      2.134103  
1 1 1 0   17 30 o 74.04823 1.088279  55.19725       1.529044  55.83003       1.890585  54.00062       2.599846  1.268539       2.176559  
1 1 1 0   17 31 o 9.943866 1.315650  1.027936       0.2522286 0.8842167      0.3786587 1.142567       0.3381747 -1.473045      2.631300  
1 1 1 0   17 32 f 48.76832 0.7070135 23.79949       0.6894733 23.19187       0.9713972 24.41638       0.9787698 -1.255177      1.414027  
1 1 1 0   17 33 o 79.95486 1.311690  63.87469       2.092310  67.10440       3.094115  61.15347       2.840121  3.703590       2.623379  
1 1 1 0   17 34 o 81.29073 0.9537925 66.08092       1.549339  63.91857       2.137174  68.47615       2.249316  -2.797226      1.907585  
1 1 1 0   17 35 o 49.44310 0.7206852 23.97210       0.7038894 27.70043       1.106614  21.43863       0.9122139 6.323315       1.441370  
1 1 1 0   17 36 o 45.10294 0.7002735 20.27435       0.6297256 21.44651       0.9364591 19.30678       0.8508208 2.367840       1.400547  
1 1 1 0   17 37 o 22.04059 0.7783895 4.754877       0.3386113 5.987689       0.5216241 3.857032       0.4451533 4.829073       1.556779  
1 1 1 0   17 38 o 36.22822 0.6881862 13.04266       0.4965069 14.20177       0.7454785 12.11858       0.6656213 2.870502       1.376372  
1 1 1 0   17 39 o 17.15216 0.8911213 2.941585       0.3051210 3.048538       0.4482052 2.849208       0.4165446 0.5784740      1.782243  
1 1 1 0   17 40 o 86.95251 1.016070  75.71361       1.765209  73.22772       2.430428  78.48893       2.568017  -3.010887      2.032140  
1 1 1 0   17 41 o 19.36974 1.506803  3.869114       0.5695291 3.155402       0.8482336 4.454992       0.7685243 -3.367380      3.013605  
1 1 1 0   17 42 f 64.56231 0.8373917 41.75955       1.081007  40.64148       1.510088  42.93474       1.548174  -1.772251      1.674783  
1 1 1 0   17 43 o 52.15728 0.7643706 27.22212       0.7959641 27.89755       1.166093  26.63286       1.089166  1.204834       1.528741  
1 1 1 0   17 44 o 25.37186 0.8054122 6.487689       0.4022464 5.087618       0.5599587 7.980490       0.5782048 -5.698978      1.610824  
1 1 1 0   17 45 o 33.89629 0.7359694 11.51140       0.4979852 10.57380       0.6958408 12.49578       0.7129870 -2.833282      1.471939  
1 1 1 0   17 46 f 38.62121 0.7345917 14.81222       0.5642996 16.27187       0.8545954 13.68378       0.7514061 3.339363       1.469183  
1 1 1 0   17 47 o 12.49268 1.383822  1.548866       0.3254715 2.284015       0.5073755 1.034830       0.4242665 5.139189       2.767643  
1 1 1 0   17 48 o 15.68130 1.925711  2.911929       0.4828756 1.910798       0.9557169 3.255098       0.5595488 -4.612847      3.851422  
1 1 1 0   17 49 o 67.13622 2.971013  46.09903       3.989251  46.09903       3.989251  ?              ?         ?              ?         
1 1 1 0   17 50 o 27.02641 1.034858  7.348270       0.5593140 7.343267       0.7964937 7.353138       0.7855977 -0.2049828E-01 2.069716  
1 1 1 0   17 51 o 28.11256 1.030638  7.926371       0.5780004 8.335571       0.8552769 7.582378       0.7841755 1.323763       2.061276  
1 1 1 0   17 52 o 43.79523 1.021858  19.22133       0.8931018 17.88705       1.217188  20.77747       1.314490  -3.277988      2.043716  
1 1 1 0   17 53 o 21.86632 1.183619  4.823486       0.5172192 4.891686       0.7485784 4.761188       0.7154616 0.2891235      2.367238  
1 1 1 0   17 54 o 80.48857 1.381384  65.63241       2.223138  64.79248       3.101997  66.51942       3.187741  -1.043350      2.762768  
1 1 1 0   17 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   18 0  f 162.8894 2.441305  265.4569       7.951651  262.5204       11.11242  268.5382       11.38313  -1.844360      4.882610  
1 1 1 0   18 1  o 198.9612 2.091884  396.0812       8.320552  389.9913       11.56767  402.6099       11.97709  -3.163788      4.183767  
1 1 1 0   18 2  o 89.26781 1.006359  79.49374       1.793013  76.57856       2.442889  82.89828       2.639970  -3.538040      2.012718  
1 1 1 0   18 3  o 167.8415 1.777482  281.8836       5.965933  284.4607       8.519593  279.4039       8.356963  1.503922       3.554964  
1 1 1 0   18 4  o 314.4799 3.279229  991.5953       20.62460  995.1740       29.28126  988.0717       29.05523  1.122711       6.558459  
1 1 1 0   18 5  o 338.4064 3.526814  1148.276       23.86088  1131.814       33.20329  1165.856       34.31282  -4.995026      7.053628  
1 1 1 0   18 6  o 184.9042 1.949909  342.1469       7.209438  338.5388       10.07431  345.9342       10.32155  -1.995483      3.899819  
1 1 1 0   18 7  o 131.0049 1.412202  170.4510       3.677394  161.0872       4.887002  182.6742       5.583570  -8.230034      2.824405  
1 1 1 0   18 8  o 28.49049 0.6386021 8.096151       0.3632089 7.778009       0.4956387 8.465158       0.5337905 -1.205700      1.277204  
1 1 1 0   18 9  o 79.12068 0.9161064 62.28406       1.444257  66.33786       2.158748  58.99940       1.943193  4.635651       1.832213  
1 1 1 0   18 10 o 103.0120 1.138047  105.9907       2.341791  109.2819       3.414805  103.0687       3.217573  3.013573       2.276094  
1 1 1 0   18 11 o 201.4796 2.118544  406.4467       8.536601  408.2327       12.13008  404.6942       12.01589  0.8756866      4.237089  
1 1 1 0   18 12 o 144.6424 1.545491  209.3356       4.470405  211.1521       6.377785  207.5811       6.267861  1.232635       3.090981  
1 1 1 0   18 13 o 98.92805 1.102028  97.79766       2.178711  100.4765       3.158185  95.36507       3.009514  2.581635       2.204056  
1 1 1 0   18 14 o 475.1689 6.096867  2285.735       54.66338  2288.352       67.05663  2280.553       94.37663  2.661224       12.19373  
1 1 1 0   18 15 o 160.8786 2.414792  259.1820       7.766283  255.0205       10.79150  263.6528       11.18546  -2.671722      4.829584  
1 1 1 0   18 16 o 151.8209 2.285061  230.4399       6.926517  238.7488       10.15873  223.2212       9.468776  5.094177       4.570123  
1 1 1 0   18 17 f 155.6233 2.343441  242.6827       7.293221  241.5147       10.23550  243.8873       10.39469  -0.7572174     4.686882  
1 1 1 0   18 18 o 226.3166 3.080828  511.1763       13.54448  527.1287       22.09759  501.5765       17.14208  5.415970       6.161657  
1 1 1 0   18 19 o 60.38964 0.9338899 36.23615       1.064739  37.22875       1.851735  35.74588       1.301387  1.219620       1.867780  
1 1 1 0   18 20 o 53.46688 0.7315392 28.53841       0.7813805 27.43435       1.074286  29.77860       1.138594  -2.191433      1.463078  
1 1 1 0   18 21 o 304.8508 3.190291  934.5302       19.45057  938.7562       27.64632  930.3884       27.37028  1.355255       6.380583  
1 1 1 0   18 22 o 154.9820 1.654486  240.5104       5.126682  244.1444       7.362528  237.0900       7.142906  2.267883       3.308972  
1 1 1 0   18 23 o 150.8218 1.612191  227.8095       4.861900  230.6606       6.967920  225.1045       6.787171  1.834930       3.224382  
1 1 1 0   18 24 o 49.55293 0.7712659 24.44531       0.7507101 25.19600       1.186690  23.94445       0.9693189 1.258282       1.542532  
1 1 1 0   18 25 o 77.49194 1.318263  59.93733       2.037616  62.82850       3.017753  57.51476       2.762398  3.418060       2.636527  
1 1 1 0   18 26 f 156.5377 2.380375  246.2189       7.448655  250.6184       10.73837  242.1390       10.34085  2.676620       4.760751  
1 1 1 0   18 27 f 240.7496 3.126042  583.5475       14.10565  580.0891       17.15975  590.7542       24.77027  -1.366379      6.252083  
1 1 1 0   18 28 o 67.35181 0.8350912 45.15442       1.121022  42.56539       1.510642  48.32758       1.672398  -4.271935      1.670182  
1 1 1 0   18 29 o 106.7775 1.185361  114.2066       2.531125  115.0530       3.611035  113.3891       3.548877  0.7758331      2.370723  
1 1 1 0   18 30 o 63.73822 0.8058168 40.65000       1.027077  39.79234       1.439231  41.54005       1.466155  -1.369972      1.611634  
1 1 1 0   18 31 o 45.54671 0.6938174 20.74574       0.6313009 21.04043       0.9176835 20.48099       0.8698264 0.6124077      1.387635  
1 1 1 0   18 32 f 49.11364 0.7188609 23.80517       0.7000523 26.71636       1.080027  21.69588       0.9193231 5.104755       1.437722  
1 1 1 0   18 33 o 15.28695 0.9637403 2.315050       0.2929792 2.599724       0.4437175 2.095006       0.3901102 1.647739       1.927481  
1 1 1 0   18 34 o 105.6041 1.179811  111.6687       2.488942  114.8795       3.626479  108.8095       3.422191  2.857391       2.359622  
1 1 1 0   18 35 f 51.57819 0.7348441 26.63469       0.7578306 26.48943       1.082851  26.77413       1.060953  -0.2771225     1.469688  
1 1 1 0   18 36 o 23.61714 0.7623402 5.626984       0.3531550 4.298877       0.4919976 7.038565       0.5072235 -5.799314      1.524680  
1 1 1 0   18 37 o 70.39622 0.8718194 49.52571       1.224835  51.42490       1.803936  47.90126       1.668355  2.492615       1.743639  
1 1 1 0   18 38 o 13.76171 1.075698  1.884406       0.2946392 2.057026       0.4441926 1.748784       0.3937232 1.114734       2.151395  
1 1 1 0   18 39 o 106.4558 1.197471  113.7432       2.548582  111.5458       3.544986  116.0939       3.666566  -2.120918      2.394942  
1 1 1 0   18 40 o 28.63292 0.7438719 8.232358       0.4249539 7.746255       0.6094140 8.692440       0.5928782 -1.653620      1.487744  
1 1 1 0   18 41 o 58.52174 0.7977545 34.32677       0.9335052 34.05622       1.331408  34.58838       1.309223  -0.4567833     1.595509  
1 1 1 0   18 42 o 46.02263 0.7449064 21.18943       0.6849509 19.92864       0.9490126 22.56036       0.9895954 -2.855221      1.489813  
1 1 1 0   18 43 o 66.38943 0.8614608 43.84435       1.136953  47.36758       1.726321  41.14552       1.510912  4.660751       1.722922  
1 1 1 0   18 44 o 37.36188 0.7319642 13.83696       0.5434468 15.35955       0.8278401 12.68390       0.7204098 3.569332       1.463928  
1 1 1 0   18 45 o 59.82993 0.8241727 35.81718       0.9843703 37.18567       1.446064  34.63546       1.343777  2.118595       1.648345  
1 1 1 0   18 46 o 11.49476 1.888921  1.297678       0.3691563 1.569135       0.7898336 1.221805       0.4175721 1.325379       3.777841  
1 1 1 0   18 47 o 24.07082 1.249131  6.045105       0.5801154 7.224720       0.7815750 4.597991       0.8656690 5.474190       2.498263  
1 1 1 0   18 48 o 13.96489 1.619637  2.136809       0.4113395 0.9526790      0.5735917 3.390538       0.5902079 -8.774455      3.239273  
1 1 1 0   18 49 o 28.67467 1.000535  8.224257       0.5721810 9.084140       0.8435152 7.491377       0.7787339 2.764425       2.001071  
1 1 1 0   18 50 o 63.39192 1.170836  40.37486       1.480775  42.56587       2.189797  38.52887       2.010001  3.138676       2.341673  
1 1 1 0   18 51 o 28.22352 1.024351  8.028065       0.5774245 7.743664       0.8285857 8.296587       0.8051227 -0.9848366     2.048703  
1 1 1 0   18 52 o 11.36110 1.800023  1.324675       0.4146998 1.893942       0.6133529 0.8453017      0.5628450 4.573072       3.600047  
1 1 1 0   18 53 o 33.24014 1.020831  11.10821       0.6777530 10.35199       0.9373233 11.93682       0.9811532 -2.372742      2.041662  
1 1 1 0   18 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   19 1  o 160.1105 1.699613  255.9199       5.431098  247.2848       7.399142  266.0071       7.997131  -5.836639      3.399226  
1 1 1 0   19 2  o 237.5896 2.487490  565.4689       11.82003  565.5665       16.72326  565.3715       16.70884  0.4069519E-01  4.974979  
1 1 1 0   19 3  o 197.4904 2.078622  390.2243       8.205269  398.1511       11.85170  382.9272       11.37121  3.844315       4.157245  
1 1 1 0   19 4  o 213.1683 2.238344  454.7218       9.536954  446.0127       13.21109  464.1992       13.78157  -4.252808      4.476688  
1 1 1 0   19 5  o 117.7374 1.280341  138.5567       3.012651  141.9213       4.362833  135.4903       4.165107  2.728470       2.560682  
1 1 1 0   19 6  f 224.2794 2.354173  502.5992       10.53739  486.0085       14.35362  521.9924       15.51872  -7.993378      4.708346  
1 1 1 0   19 7  f 42.36292 0.6550844 17.89545       0.5539928 17.11419       0.7557851 18.80266       0.8144253 -1.992451      1.310169  
1 1 1 0   19 8  o 87.40515 0.9941041 75.81619       1.727696  81.86295       2.620055  71.16405       2.298135  6.116814       1.988208  
1 1 1 0   19 9  o 286.5088 2.992755  823.1805       17.14900  823.7238       24.26736  822.6385       24.23738  0.1883850      5.985510  
1 1 1 0   19 10 o 279.9924 2.925025  785.3068       16.36516  804.3851       23.74928  768.0573       22.58245  6.448456       5.850049  
1 1 1 0   19 11 o 85.54410 0.9791792 73.19987       1.675231  72.98083       2.360942  73.42201       2.377414  -0.2576828     1.958358  
1 1 1 0   19 12 o 233.2574 2.444653  545.1652       11.40370  549.2276       16.25447  541.2276       16.00301  1.707291       4.889306  
1 1 1 0   19 13 o 219.8665 2.308254  484.2244       10.14760  478.3606       14.16221  490.4114       14.54729  -2.728851      4.616507  
1 1 1 0   19 14 f 153.4330 1.635857  235.6369       5.019292  233.6263       7.033561  237.7234       7.164967  -1.332077      3.271715  
1 1 1 0   19 15 o 184.6367 1.950505  341.3015       7.199680  347.0057       10.36296  335.9791       10.00999  2.975449       3.901009  
1 1 1 0   19 16 o 102.1259 1.135164  104.3498       2.318457  105.0797       3.300673  103.6389       3.257341  0.7045822      2.270329  
1 1 1 0   19 17 o 61.23203 0.7825151 37.50210       0.9581884 37.35000       1.343698  37.65947       1.366763  -0.2523956     1.565030  
1 1 1 0   19 18 o 232.6773 2.443316  543.0536       11.36907  539.3356       15.95175  546.8920       16.20788  -1.612000      4.886633  
1 1 1 0   19 19 o 34.42178 0.7785904 11.58582       0.5127583 10.98572       0.6309424 12.75311       0.8799680 -2.563148      1.557181  
1 1 1 0   19 20 o 131.0841 1.996569  172.2670       5.234123  171.4391       7.360231  173.1141       7.444829  -0.6350403     3.993137  
1 1 1 0   19 21 o 89.90553 2.029531  0.000000       0.000000  ?              ?         80.94854       3.649320  ?              ?         
1 1 1 0   19 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   19 23 o 87.75147 2.909510  0.000000       0.000000  ?              ?         77.29759       5.106275  ?              ?         
1 1 1 0   19 24 o 167.6933 2.531017  280.7564       8.431333  265.4285       11.17622  301.0020       12.84450  -10.46400      5.062035  
1 1 1 0   19 25 o 90.78668 1.035304  82.51299       1.879833  82.32796       2.655349  82.69891       2.661633  -0.2040634     2.070609  
1 1 1 0   19 26 o 71.39736 0.8697641 50.59488       1.235023  47.20082       1.643941  54.99228       1.871221  -5.448013      1.739528  
1 1 1 0   19 27 o 39.53370 0.6744136 15.53699       0.5314767 17.00613       0.7909603 14.32765       0.7176234 3.385357       1.348827  
1 1 1 0   19 28 o 75.58576 0.9042994 57.19080       1.366989  56.73640       1.922751  57.65522       1.943849  -0.6068878     1.808599  
1 1 1 0   19 29 f 86.00800 0.9967074 74.07853       1.714437  74.29412       2.436184  73.86701       2.413140  0.2471237      1.993415  
1 1 1 0   19 30 o 100.0442 1.576702  100.4618       3.154615  99.79387       4.432658  101.1472       4.490503  -0.6714172     3.153404  
1 1 1 0   19 31 o 71.72383 0.8768111 51.39684       1.256154  49.38702       1.723890  53.67204       1.834177  -2.981621      1.753622  
1 1 1 0   19 32 o 52.16759 0.7344130 27.24016       0.7658796 27.28881       1.100848  27.19452       1.066217  0.8870316E-01  1.468826  
1 1 1 0   19 33 o 28.57668 0.7059026 8.183837       0.4023583 8.035731       0.5881241 8.314149       0.5516653 -0.4889450     1.411805  
1 1 1 0   19 34 f 31.66680 0.6980608 10.02682       0.4412365 10.20919       0.6470613 9.868321       0.6032456 0.5359573      1.396122  
1 1 1 0   19 35 o 103.3624 1.162075  106.8265       2.395848  111.7271       3.547624  102.7174       3.248573  4.329628       2.324151  
1 1 1 0   19 36 o 44.40784 0.7096835 19.58232       0.6272451 21.41834       0.9458392 18.14100       0.8380305 3.683216       1.419367  
1 1 1 0   19 37 o 67.83044 0.8562242 45.94729       1.158516  48.21115       1.715078  44.04745       1.571145  3.056793       1.712448  
1 1 1 0   19 38 o 48.93103 0.7473974 23.80478       0.7287014 21.60514       0.9833724 26.48363       1.085217  -4.977036      1.494795  
1 1 1 0   19 39 o 31.32763 0.7222432 9.770017       0.4506041 10.47345       0.6762341 9.208254       0.6043146 2.013390       1.444486  
1 1 1 0   19 40 f 45.34139 0.7385231 20.57712       0.6687444 20.95753       0.9759824 20.24045       0.9181587 0.7854996      1.477046  
1 1 1 0   19 41 o 48.06992 0.7505730 23.15664       0.7210757 23.14092       1.039551  23.17123       1.001048  -0.3536987E-01 1.501146  
1 1 1 0   19 42 o 74.01077 0.9187002 54.90430       1.359200  53.30543       1.886468  56.63030       1.960040  -2.236946      1.837400  
1 1 1 0   19 43 o 70.50043 0.8952764 49.74978       1.259727  51.61063       1.854152  48.15440       1.716810  2.433281       1.790553  
1 1 1 0   19 44 o 26.89300 1.273337  7.294948       0.6818150 7.148386       1.007427  7.418816       0.9261556 -0.5185757     2.546675  
1 1 1 0   19 45 o 79.75058 1.286771  64.08865       2.014203  63.97713       2.608639  64.25327       3.169640  -0.4923248E-01 2.573542  
1 1 1 0   19 46 o 33.63524 0.7679222 11.36966       0.5155203 10.72577       0.7375485 11.98472       0.7208500 -1.873722      1.535844  
1 1 1 0   19 47 o 39.97773 0.9434981 16.09334       0.7526304 16.96263       1.050098  15.17510       1.079261  2.240738       1.886996  
1 1 1 0   19 48 f 32.81278 0.9873371 10.82672       0.6477584 10.78986       0.9263973 10.86199       0.9060779 -0.1139030     1.974674  
1 1 1 0   19 49 o 19.69769 1.221744  3.786591       0.4645810 5.501922       0.7259177 2.596606       0.6046224 7.343122       2.443488  
1 1 1 0   19 50 o 24.51264 1.053526  6.048944       0.5163831 5.986191       0.7214526 6.114862       0.7394312 -0.2582760     2.107052  
1 1 1 0   19 51 o 45.14862 1.025677  20.43248       0.9238067 21.90248       1.367105  19.19718       1.253229  2.968353       2.051353  
1 1 1 0   19 52 o 31.57365 1.014135  10.03643       0.6402058 10.38186       0.9158478 9.706353       0.8952780 1.064520       2.028269  
1 1 1 0   19 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   20 0  o 206.2664 3.066962  424.6056       12.61432  444.7751       18.72729  407.8542       17.06680  8.920288       6.133924  
1 1 1 0   20 1  o 98.77451 1.098809  97.49748       2.168945  100.1179       3.144544  95.11945       2.995578  2.528328       2.197617  
1 1 1 0   20 2  o 94.50183 1.059093  88.84219       1.993447  94.62472       2.988220  84.20527       2.675889  5.508980       2.118186  
1 1 1 0   20 3  o 101.1830 1.123624  102.0487       2.267702  107.3395       3.359862  97.62186       3.073293  4.798233       2.247249  
1 1 1 0   20 4  o 56.85550 0.7416872 31.99185       0.8381190 35.40419       1.275391  29.39823       1.111914  5.280334       1.483374  
1 1 1 0   20 5  o 100.4678 1.116104  100.4603       2.233554  95.56242       3.000297  106.5490       3.345224  -5.463058      2.232208  
1 1 1 0   20 6  o 172.0286 1.821709  295.9065       6.260993  288.6430       8.618506  304.0234       9.110744  -4.459152      3.643417  
1 1 1 0   20 7  o 31.86586 0.6646302 9.911130       0.4179138 8.076231       0.5474586 12.47367       0.6469645 -6.899078      1.329260  
1 1 1 0   20 8  o 65.21669 0.8064780 42.54076       1.051883  42.31727       1.480440  42.76861       1.494840  -0.3458710     1.612956  
1 1 1 0   20 9  o 164.3976 1.746470  269.4713       5.722496  257.9284       7.717978  283.5648       8.528206  -7.777115      3.492940  
1 1 1 0   20 10 o 212.0610 2.229612  450.5746       9.455099  446.6714       13.24702  454.6280       13.49961  -1.867599      4.459223  
1 1 1 0   20 11 o 59.63129 0.7669382 35.56813       0.9146589 35.56868       1.290299  35.56757       1.296772  0.1014709E-02  1.533876  
1 1 1 0   20 12 o 56.46888 0.7473977 31.89520       0.8440858 32.09568       1.195344  31.69581       1.192098  0.3540230      1.494795  
1 1 1 0   20 13 o 207.1776 2.180783  430.1344       9.035270  426.8148       12.67026  433.5690       12.88813  -1.622116      4.361566  
1 1 1 0   20 14 o 95.16525 1.073968  90.50745       2.042365  93.18486       2.963329  88.08487       2.818772  2.676781       2.147937  
1 1 1 0   20 15 o 60.60395 0.7775429 36.69046       0.9416242 35.58088       1.298955  37.91928       1.366962  -1.928200      1.555086  
1 1 1 0   20 16 o 204.0237 2.150769  416.1204       8.752618  400.6116       11.86939  434.6052       12.95831  -8.280136      4.301539  
1 1 1 0   20 17 o 60.60823 0.7748127 36.74792       0.9391996 36.76538       1.329358  36.73052       1.327103  0.2871704E-01  1.549625  
1 1 1 0   20 18 o 54.65699 0.9185101 30.72940       0.9666111 26.36651       1.528499  33.63703       1.247807  -6.657303      1.837020  
1 1 1 0   20 19 o 31.48707 1.041273  9.844528       0.6528957 8.743788       0.8823909 11.17624       0.9705620 -3.860079      2.082546  
1 1 1 0   20 20 o 168.8969 2.552810  285.7702       8.595576  273.8698       11.61172  300.1965       12.78473  -7.701523      5.105619  
1 1 1 0   20 21 o 58.41888 0.9640979 32.65545       1.006551  30.96131       1.169016  37.51159       1.979207  -5.580742      1.928196  
1 1 1 0   20 22 o 93.68331 1.061258  87.86012       1.988407  87.57531       2.802071  88.14900       2.822102  -0.3054504     2.122515  
1 1 1 0   20 23 o 101.3534 1.133573  102.8464       2.297436  101.7652       3.213469  103.9767       3.285870  -1.087845      2.267147  
1 1 1 0   20 24 o 56.94203 0.9062034 32.77043       0.9946991 33.68967       1.259433  31.24629       1.621708  2.159573       1.812407  
1 1 1 0   20 25 o 91.80674 1.462605  83.87051       2.670000  78.88510       3.552500  90.34257       4.047674  -6.207092      2.925211  
1 1 1 0   20 26 o 47.50118 0.9504889 22.58009       0.9027559 22.08126       1.259621  23.10691       1.294472  -1.078030      1.900978  
1 1 1 0   20 27 o 55.05227 1.019885  29.87117       1.111416  33.71835       1.729621  27.16543       1.450518  5.936913       2.039770  
1 1 1 0   20 28 o 66.80262 1.151695  44.60586       1.536092  46.54483       2.254078  42.92461       2.098934  2.699982       2.303391  
1 1 1 0   20 29 o 24.56025 0.8777824 6.230637       0.4168730 5.072676       0.6386614 7.090225       0.5502612 -4.111641      1.755565  
1 1 1 0   20 30 o 114.9822 1.271171  132.2099       2.916901  127.1184       3.970080  138.1825       4.299870  -4.784599      2.542341  
1 1 1 0   20 31 o 83.06212 0.9729933 68.98367       1.613589  71.38361       2.366549  66.89861       2.205838  2.688797       1.945987  
1 1 1 0   20 32 o 82.45934 0.9696555 67.87219       1.595449  64.56477       2.168027  71.77908       2.356327  -4.361473      1.939311  
1 1 1 0   20 33 f 47.84213 0.7225038 22.91903       0.6909048 22.81997       0.9933691 23.01185       0.9615801 -0.2023697     1.445008  
1 1 1 0   20 34 o 51.54750 0.7407905 26.48784       0.7613740 28.08684       1.132057  25.16718       1.028822  2.825420       1.481581  
1 1 1 0   20 35 o 28.53923 0.7141588 8.110998       0.4062653 8.705366       0.6056455 7.624759       0.5477924 1.889246       1.428318  
1 1 1 0   20 36 o 56.94294 0.7806888 32.28833       0.8854066 34.57074       1.327800  30.46087       1.188119  3.597397       1.561378  
1 1 1 0   20 37 f 5.297269 1.572943  0.2963215E-01  0.2805399 0.1054298      0.4245124 -0.2913633E-01 0.3737960 0.7690616      3.145885  
1 1 1 0   20 38 o 37.02228 0.7198195 13.61978       0.5307083 14.99261       0.7964031 12.52320       0.7117763 3.327862       1.439639  
1 1 1 0   20 39 f 23.59627 0.8124296 5.518990       0.3810761 6.170083       0.5790735 5.021633       0.5061114 2.425993       1.624859  
1 1 1 0   20 40 f 30.24954 0.7508708 9.162582       0.4532396 9.277851       0.6655862 9.062915       0.6189112 0.3505363      1.501742  
1 1 1 0   20 41 f 132.8454 1.462212  177.9698       3.884916  177.0631       5.477622  178.8875       5.510729  -0.6798859     2.924425  
1 1 1 0   20 42 o 103.6586 1.712012  108.7605       3.549057  108.2227       5.040644  109.2891       4.997880  -0.5251083     3.424024  
1 1 1 0   20 43 o 40.53307 0.9641131 16.69392       0.7332665 17.08452       0.8995317 15.92033       1.265934  1.490936       1.928226  
1 1 1 0   20 44 o 56.53886 0.8108639 32.04153       0.9160086 32.69169       1.330264  31.45527       1.263199  1.083908       1.621728  
1 1 1 0   20 45 o 18.53015 0.9755753 3.448575       0.3590915 3.462425       0.5407150 3.437648       0.4803004 0.5644226E-01  1.951151  
1 1 1 0   20 46 o 59.52917 1.055436  35.62844       1.245736  35.50167       1.655296  35.79402       1.891763  -0.1986046     2.110873  
1 1 1 0   20 47 o 37.96088 0.9885715 14.49515       0.7502056 14.26719       1.071708  14.71418       1.050512  -0.5929375     1.977143  
1 1 1 0   20 48 o 28.90734 1.027242  8.410290       0.5933595 7.934113       0.8319564 8.903268       0.8465070 -1.672995      2.054484  
1 1 1 0   20 49 o 84.30174 1.417311  71.95681       2.389414  71.42362       3.351974  72.50764       3.406980  -0.6256256     2.834621  
1 1 1 0   20 50 o 23.35641 1.114777  5.461141       0.5179896 6.319002       0.7663334 4.739482       0.7028701 3.364458       2.229553  
1 1 1 0   20 51 o 36.14081 1.017606  13.15237       0.7354279 12.91868       1.029238  13.39614       1.051214  -0.6550102     2.035212  
1 1 1 0   20 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   21 1  o 76.87115 0.9051113 57.65925       1.367697  66.96176       2.194793  51.75357       1.748753  9.885719       1.810223  
1 1 1 0   21 2  o 91.58535 1.035968  83.69747       1.893990  87.37887       2.784573  80.52805       2.583706  3.736877       2.071935  
1 1 1 0   21 3  o 88.00816 1.005727  76.84618       1.758798  72.19743       2.332871  82.96827       2.677151  -6.113785      2.011454  
1 1 1 0   21 4  o 55.47635 0.7508803 30.77993       0.8330517 31.33616       1.185198  30.23681       1.171153  0.9906616      1.501761  
1 1 1 0   21 5  f 124.4707 1.350937  155.0572       3.363012  154.9134       4.745287  155.2023       4.766821  -0.1155853     2.701874  
1 1 1 0   21 6  o 309.4002 3.234526  961.8742       20.01501  964.4734       28.39070  959.3058       28.22106  0.8261719      6.469053  
1 1 1 0   21 7  f 133.4850 1.440034  178.3228       3.843912  180.1993       5.492202  176.5210       5.381707  1.375198       2.880068  
1 1 1 0   21 8  o 94.08674 1.061100  87.33310       1.975717  96.93392       3.075416  80.58634       2.578086  8.678467       2.122200  
1 1 1 0   21 9  o 224.4445 2.358379  504.9621       10.58260  497.6259       14.72890  512.7906       15.21506  -3.357651      4.716758  
1 1 1 0   21 10 o 203.5247 2.145630  414.5326       8.720847  402.6808       11.95006  428.0360       12.75560  -6.195740      4.291261  
1 1 1 0   21 11 o 36.81820 0.6623282 13.38513       0.4843428 15.71653       0.7310542 11.56118       0.6466196 5.641914       1.324656  
1 1 1 0   21 12 o 237.9383 2.497919  567.5912       11.87364  553.5826       16.33529  583.2834       17.28899  -6.189102      4.995837  
1 1 1 0   21 13 o 71.89542 0.8643466 51.19203       1.234545  56.17805       1.883423  47.43597       1.634697  6.074768       1.728693  
1 1 1 0   21 14 o 142.1942 1.649602  202.7345       4.649755  201.3087       7.047868  203.8333       6.187344  -0.9220886     3.299203  
1 1 1 0   21 15 o 148.2679 2.254735  220.2278       6.675460  213.4169       9.135967  228.0291       9.777726  -4.889694      4.509470  
1 1 1 0   21 16 f 81.06572 1.352450  65.79659       2.192391  66.77113       3.135251  64.86410       3.066898  1.173569       2.704900  
1 1 1 0   21 17 o 92.44889 1.368113  84.88548       2.453361  82.73450       3.093005  88.53481       4.028732  -3.097168      2.736225  
1 1 1 0   21 18 o 8.050207 1.488167  0.6742723      0.2510639 0.9137760      0.3506757 0.4224108      0.3596089 2.654206       2.976335  
1 1 1 0   21 19 o 79.95389 0.9375575 63.52139       1.491724  68.46255       2.250749  59.65068       1.992087  5.502281       1.875115  
1 1 1 0   21 20 f 36.15437 0.6676421 13.03580       0.4819325 14.09956       0.7032441 12.09385       0.6617572 2.772789       1.335284  
1 1 1 0   21 21 o 22.72892 0.7464592 5.131926       0.3356797 6.288639       0.4967423 4.159767       0.4553939 4.681896       1.492918  
1 1 1 0   21 22 o 60.94247 0.7878347 37.05021       0.9584541 35.27581       1.307415  39.11171       1.409221  -3.143555      1.575669  
1 1 1 0   21 23 o 54.16100 0.7459920 29.34986       0.8079790 29.71651       1.153500  28.99668       1.132110  0.6637878      1.491984  
1 1 1 0   21 24 o 47.93447 0.7086729 22.85120       0.6772094 21.17375       0.9145560 24.88746       1.007633  -3.870502      1.417346  
1 1 1 0   21 25 f 43.95975 0.6933811 19.33428       0.6095535 19.02306       0.8548757 19.65615       0.8693849 -0.7195549     1.386762  
1 1 1 0   21 26 o 95.60841 1.086288  91.53645       2.076514  90.09579       2.893054  93.06731       2.982245  -1.548752      2.172575  
1 1 1 0   21 27 o 75.51366 1.256655  56.94485       1.892581  54.34122       2.562708  60.06844       2.806966  -3.774612      2.513310  
1 1 1 0   21 28 o 124.2014 1.359666  154.6226       3.374872  151.1152       4.664182  158.4768       4.889355  -2.944046      2.719332  
1 1 1 0   21 29 o 99.06319 1.368139  97.46044       2.533425  95.63161       3.063907  101.4135       4.504619  -2.781799      2.736277  
1 1 1 0   21 30 o 8.671206 1.688275  0.7797906      0.3020282 0.7912635      0.4205455 0.7675697      0.4340388 0.1077223      3.376551  
1 1 1 0   21 31 o 43.52375 0.9408014 18.86436       0.8163962 17.41081       1.104031  20.61821       1.212725  -3.676579      1.881603  
1 1 1 0   21 32 o 135.7805 2.085146  186.2399       5.661309  188.4707       8.104318  184.1139       7.911754  1.570313       4.170293  
1 1 1 0   21 33 o 81.35461 1.340322  66.33074       2.176923  63.86502       2.972571  69.18272       3.196927  -3.240379      2.680643  
1 1 1 0   21 34 o 43.80865 0.9568197 19.13089       0.8357889 17.76385       1.130091  20.78143       1.241753  -3.433064      1.913639  
1 1 1 0   21 35 o 108.4329 1.482419  118.1834       3.034248  118.8678       5.247985  117.8398       3.718835  0.2366486      2.964839  
1 1 1 0   21 36 o 35.81393 0.7232500 12.83644       0.5168884 13.01575       0.7590988 12.68143       0.7057902 0.4623451      1.446500  
1 1 1 0   21 37 o 66.49590 0.8613327 44.33008       1.145377  43.44751       1.614907  45.22345       1.624754  -1.334335      1.722665  
1 1 1 0   21 38 o 16.16972 1.052248  2.692613       0.3316239 2.160492       0.4921905 3.135015       0.4487834 -3.019321      2.104496  
1 1 1 0   21 39 f 82.29501 1.245153  68.11975       1.898368  68.15641       3.398559  68.10312       2.288706  -0.1526642     2.490306  
1 1 1 0   21 40 f 101.2529 1.681550  103.7082       3.404774  103.6618       4.854432  103.7532       4.776665  -0.6400299E-01 3.363100  
1 1 1 0   21 41 o 24.62479 0.8349656 6.107116       0.4094723 5.658255       0.5915504 6.520030       0.5673690 -1.752806      1.669931  
1 1 1 0   21 42 o 13.17733 1.379626  1.752857       0.3359283 2.679727       0.5133272 1.058597       0.4442692 6.290250       2.759252  
1 1 1 0   21 43 o 24.32600 0.8493968 5.969648       0.4065697 4.665551       0.5655487 7.364477       0.5848919 -5.544561      1.698794  
1 1 1 0   21 44 o 36.46318 0.7907624 13.35073       0.5757098 13.59298       0.7958475 13.08480       0.8338332 0.7022018      1.581525  
1 1 1 0   21 45 o 30.14441 0.9517262 9.131913       0.5734803 9.131270       0.7981511 9.132600       0.8245398 0.2655029E-02  1.903452  
1 1 1 0   21 46 o 40.84753 0.9902455 16.77945       0.8089392 16.60655       1.145140  16.95168       1.142889  -0.4229088     1.980491  
1 1 1 0   21 47 o 68.46561 1.224416  47.09577       1.671315  44.63638       2.256871  50.08243       2.487051  -3.914200      2.448831  
1 1 1 0   21 48 o 80.62102 1.373960  65.76890       2.215050  65.26727       3.100523  66.29180       3.165597  -0.6152725     2.747920  
1 1 1 0   21 49 o 24.81366 1.117944  6.231285       0.5527088 5.686450       0.7887683 6.756882       0.7747177 -2.160765      2.235888  
1 1 1 0   21 50 o 38.48036 1.024013  14.91258       0.7880096 15.07794       1.124162  14.75284       1.104915  0.4175987      2.048027  
1 1 1 0   21 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   22 0  o 103.2499 1.621558  106.3991       3.341666  111.0287       4.919821  102.4340       4.553112  4.155899       3.243116  
1 1 1 0   22 1  o 43.03651 0.6725016 18.52269       0.5786681 18.38445       0.8072287 18.66883       0.8299654 -0.3300705     1.345003  
1 1 1 0   22 2  o 166.9714 1.774030  279.2636       5.923306  282.1973       8.467974  276.4530       8.288547  1.713440       3.548060  
1 1 1 0   22 3  o 52.32274 0.7200910 27.19468       0.7507141 29.68515       1.122311  25.17811       1.009904  4.305229       1.440182  
1 1 1 0   22 4  o 106.8789 1.182995  113.4215       2.512854  106.7548       3.336143  122.1635       3.820277  -7.196053      2.365991  
1 1 1 0   22 5  o 64.50406 0.8094458 41.27617       1.038154  38.58456       1.380435  44.78038       1.575090  -4.799164      1.618892  
1 1 1 0   22 6  o 51.82954 0.7185870 26.86056       0.7447173 27.59384       1.065213  26.15948       1.041563  1.383335       1.437174  
1 1 1 0   22 7  o 74.97327 0.8892651 55.69875       1.324740  60.89405       2.018682  51.76907       1.755663  6.080086       1.778530  
1 1 1 0   22 8  o 76.87257 0.9051201 59.12548       1.391566  59.42516       1.972610  58.82862       1.963366  0.3878098      1.810240  
1 1 1 0   22 9  o 137.4372 1.478815  188.6584       4.055799  196.6404       5.980950  181.8631       5.518457  5.359070       2.957631  
1 1 1 0   22 10 o 59.69793 0.7677330 35.50777       0.9142176 33.73526       1.239060  37.62571       1.354427  -3.256134      1.535466  
1 1 1 0   22 11 o 134.0283 1.766807  181.4398       4.519556  175.4404       7.565089  184.7694       5.635873  -3.573578      3.533615  
1 1 1 0   22 12 o 19.27110 1.230419  3.571012       0.4564248 2.417840       0.5894619 5.297546       0.7212675 -7.466861      2.460837  
1 1 1 0   22 13 o 37.22332 0.9760253 13.78809       0.7238600 15.59246       1.065890  12.24362       0.9861403 4.495857       1.952051  
1 1 1 0   22 14 o 85.84944 1.221894  72.96394       1.942588  71.62200       2.330405  76.01979       3.516678  -2.514198      2.443787  
1 1 1 0   22 15 o 54.67802 0.7347774 29.89560       0.8032367 29.30972       1.117836  30.52104       1.154970  -1.106758      1.469555  
1 1 1 0   22 16 o 119.4197 1.304407  142.1782       3.103595  135.6058       4.175939  150.2880       4.638741  -6.126060      2.608813  
1 1 1 0   22 17 o 137.8478 1.486516  190.4676       4.098094  189.4559       5.764292  191.5015       5.827382  -0.7383728     2.973033  
1 1 1 0   22 18 o 116.2873 1.277995  134.7802       2.959923  143.0294       4.436442  128.1625       3.973621  6.367126       2.555990  
1 1 1 0   22 19 o 58.73048 0.7691293 34.51419       0.9033570 34.18023       1.267946  34.85846       1.287354  -0.5767365     1.538259  
1 1 1 0   22 20 o 63.40162 0.8068824 40.19963       1.022641  41.22253       1.475053  39.25294       1.419039  1.551189       1.613765  
1 1 1 0   22 21 o 132.3403 1.434957  175.5462       3.796571  172.7544       5.281168  178.5322       5.461709  -2.170425      2.869914  
1 1 1 0   22 22 f 87.29379 1.007634  76.07186       1.755089  79.72604       2.591704  72.97662       2.385268  3.855286       2.015267  
1 1 1 0   22 23 o 23.57600 0.7568713 5.539005       0.3535273 4.553700       0.4832622 6.673346       0.5185245 -4.493927      1.513743  
1 1 1 0   22 24 o 49.84940 0.7249867 24.86882       0.7227814 25.02575       1.027035  24.71483       1.017369  0.3114777      1.449973  
1 1 1 0   22 25 o 80.62054 1.030503  65.27100       1.657485  68.59138       2.306104  61.72280       2.383909  4.264549       2.061006  
1 1 1 0   22 26 o 67.02814 0.8447616 44.94823       1.131806  46.11779       1.634790  43.87160       1.568499  1.671844       1.689523  
1 1 1 0   22 27 o 84.57176 0.9944128 71.12931       1.672927  66.81381       2.229893  76.68550       2.530214  -5.815285      1.988826  
1 1 1 0   22 28 o 15.20199 1.002232  2.309189       0.3039706 2.550270       0.4417593 2.092403       0.4189090 1.504312       2.004464  
1 1 1 0   22 29 o 50.05203 0.7398928 24.95150       0.7386225 23.27171       1.000695  26.96197       1.094773  -3.680893      1.479786  
1 1 1 0   22 30 o 16.69014 1.022949  2.751803       0.3239900 4.151825       0.4948380 1.701304       0.4286406 7.335733       2.045898  
1 1 1 0   22 31 o 89.84303 1.042824  80.92852       1.873555  79.92200       2.623324  81.97644       2.676697  -1.138237      2.085647  
1 1 1 0   22 32 o 12.84827 1.283696  1.786981       0.2982710 1.070068       0.4329470 2.434649       0.4115070 -5.471071      2.567392  
1 1 1 0   22 33 o 8.163009 1.446839  0.6849439      0.2867937 0.5939599E-02  0.4392444 1.189516       0.3786444 -5.437897      2.893679  
1 1 1 0   22 34 o 28.72313 0.7550082 8.147739       0.4305843 9.537054       0.6538948 7.084121       0.5721381 4.263041       1.510016  
1 1 1 0   22 35 o 24.05844 0.8113226 5.774142       0.3894634 6.300764       0.5730121 5.321982       0.5309578 2.030067       1.622645  
1 1 1 0   22 36 o 42.71255 1.714247  18.34171       1.464398  18.34171       1.464398  ?              ?         ?              ?         
1 1 1 0   22 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   22 38 o 11.63127 3.294291  1.419335       0.8011538 1.419335       0.8011538 ?              ?         ?              ?         
1 1 1 0   22 39 o 48.67260 1.013428  23.64065       0.9832862 21.87327       1.327451  25.78933       1.463660  -4.002644      2.026856  
1 1 1 0   22 40 o 66.78847 1.185976  44.88246       1.584139  45.24305       2.251325  44.52884       2.229457  0.5306168      2.371952  
1 1 1 0   22 41 o 70.20564 1.085511  48.38955       1.416551  52.77159       2.572026  46.48163       1.697142  4.316231       2.171023  
1 1 1 0   22 42 o 58.41976 0.8361102 34.26257       0.9764614 33.27702       1.386526  35.23235       1.375391  -1.675159      1.672220  
1 1 1 0   22 43 o 41.70923 0.7968090 17.41886       0.6635064 18.95120       0.9601614 16.01831       0.9179416 3.509701       1.593618  
1 1 1 0   22 44 o 57.21783 1.036113  32.89920       1.175120  32.66278       1.558691  33.21054       1.788692  -0.4314728     2.072225  
1 1 1 0   22 45 o 63.63943 1.164088  40.72484       1.479338  42.64055       2.167259  39.05360       2.024254  2.783062       2.328176  
1 1 1 0   22 46 o 27.07761 1.043098  7.391238       0.5619950 6.459208       0.7861595 8.365301       0.8036922 -3.515663      2.086196  
1 1 1 0   22 47 o 48.86415 1.052723  24.01551       1.027895  24.82344       1.492626  23.28676       1.417600  1.554260       2.105447  
1 1 1 0   22 48 o 52.59336 1.079875  27.84482       1.134557  27.01365       1.559448  28.77952       1.653710  -1.653255      2.159750  
1 1 1 0   22 49 o 13.46641 1.740667  1.901257       0.4499089 1.962546       0.6704971 1.851060       0.6067960 0.3629236      3.481333  
1 1 1 0   23 1  o 47.07559 0.6939345 21.84482       0.6479824 19.68455       0.8523751 24.80267       0.9973874 -5.433193      1.387869  
1 1 1 0   23 2  o 39.53896 0.6670460 15.60462       0.5267128 16.83591       0.7634370 14.48614       0.7276217 2.970783       1.334092  
1 1 1 0   23 3  o 46.66860 0.6850424 21.48598       0.6343115 19.46012       0.8351757 24.24747       0.9750934 -5.126278      1.370085  
1 1 1 0   23 4  o 70.64529 0.8559687 49.67371       1.205270  53.08687       1.797612  46.88623       1.624518  4.384163       1.711937  
1 1 1 0   23 5  o 111.5535 1.227539  124.4403       2.735745  121.3128       3.765044  127.9385       3.981913  -2.961617      2.455078  
1 1 1 0   23 6  o 110.1133 1.215569  121.3604       2.676122  119.6647       3.727627  123.1639       3.844283  -1.584465      2.431139  
1 1 1 0   23 7  o 232.1329 2.999966  544.3055       13.16801  540.0291       22.61398  546.4995       16.19727  -2.003418      5.999931  
1 1 1 0   23 8  o 164.5914 2.490835  271.6739       8.178904  261.9274       11.10718  283.2185       12.08845  -6.387436      4.981671  
1 1 1 0   23 9  o 89.31294 1.449053  79.92660       2.588383  79.96743       3.660069  79.88575       3.660983  0.4576874E-01  2.898106  
1 1 1 0   23 10 o 68.04494 1.043597  44.48720       1.275846  42.29353       1.487476  50.59320       2.481665  -6.063812      2.087195  
1 1 1 0   23 11 o 110.6374 1.220002  122.2303       2.693509  127.6883       3.972981  117.5878       3.664130  4.551567       2.440004  
1 1 1 0   23 12 o 107.1484 1.187102  114.9746       2.543896  114.7135       3.587857  115.2385       3.607448  -0.2441483     2.374205  
1 1 1 0   23 13 f 90.91663 1.035163  82.57829       1.879249  85.80201       2.753811  79.76854       2.570924  3.310623       2.070326  
1 1 1 0   23 14 o 48.41296 0.7072403 23.42124       0.6842172 22.72260       0.9442579 24.19360       0.9928263 -1.517746      1.414481  
1 1 1 0   23 15 o 141.9292 1.528273  201.7650       4.333466  196.6266       5.964553  207.5097       6.306637  -3.810699      3.056547  
1 1 1 0   23 16 o 26.43088 0.6882344 6.992312       0.3636827 7.187159       0.5133073 6.795913       0.5153489 0.7401924      1.376469  
1 1 1 0   23 17 o 14.75503 0.9297450 2.180577       0.2742454 2.231622       0.3853660 2.128200       0.3903655 0.3506794      1.859490  
1 1 1 0   23 18 o 32.94449 0.6655701 10.80611       0.4371266 12.09661       0.6419052 9.690138       0.5969236 3.650843       1.331140  
1 1 1 0   23 19 o 100.5245 1.127425  101.1835       2.265695  99.45841       3.148878  103.0354       3.262497  -1.772560      2.254849  
1 1 1 0   23 20 f 66.02661 0.8253579 43.58026       1.088889  44.97529       1.582250  42.32513       1.500817  2.003288       1.650716  
1 1 1 0   23 21 o 76.92143 0.9171679 59.24587       1.410989  59.47727       1.999383  59.01630       1.991521  0.2992477      1.834336  
1 1 1 0   23 22 o 109.8429 1.219796  120.4587       2.671371  126.9315       3.971695  115.1113       3.609941  5.354965       2.439591  
1 1 1 0   23 23 o 97.57960 1.108377  95.42676       2.163080  95.66304       3.066963  95.19289       3.051213  0.2397919      2.216755  
1 1 1 0   23 24 o 89.72430 1.035771  80.55446       1.856660  78.23571       2.554555  83.15087       2.703172  -2.728325      2.071542  
1 1 1 0   23 25 o 36.55328 0.6984593 13.34847       0.5100138 14.28002       0.7383277 12.49830       0.7053394 2.435532       1.396919  
1 1 1 0   23 26 o 22.12621 0.7882916 4.903430       0.3487162 4.838825       0.4977343 4.965713       0.4887081 -0.2872639     1.576583  
1 1 1 0   23 27 o 44.53956 0.7127951 19.74482       0.6329124 21.35720       0.9422069 18.41905       0.8543720 3.293262       1.425590  
1 1 1 0   23 28 o 39.51774 0.7082008 15.61823       0.5593921 14.93057       0.7773439 16.35682       0.8056130 -1.802845      1.416402  
1 1 1 0   23 29 o 102.4403 1.159059  105.3125       2.374684  105.0967       3.356187  105.5290       3.360438  -0.2105408     2.318117  
1 1 1 0   23 30 o 63.65472 0.8334262 40.55748       1.060398  39.35159       1.468976  41.86955       1.532284  -1.972416      1.666852  
1 1 1 0   23 31 o 33.57729 0.7297526 11.19392       0.4879037 12.61766       0.7292868 10.04038       0.6564472 3.832220       1.459505  
1 1 1 0   23 32 f 42.56473 0.7264459 18.14635       0.6180997 17.36587       0.8686197 18.94695       0.8797364 -1.856358      1.452892  
1 1 1 0   23 33 o 7.539005 1.703411  0.5627736      0.2896887 0.5218491      0.4355975 0.5952266      0.3879016 -0.2428746     3.406823  
1 1 1 0   23 34 o 55.14005 1.012248  30.03400       1.002728  31.61809       1.916800  29.43717       1.176559  1.883598       2.024496  
1 1 1 0   23 35 f 37.64552 1.155687  14.31932       0.8652386 12.84164       1.240740  15.71822       1.207213  -3.825821      2.311374  
1 1 1 0   23 36 f 35.68430 0.7458722 12.67172       0.5296859 13.64142       0.7988415 11.91088       0.7076069 2.415375       1.491744  
1 1 1 0   23 37 o 10.53269 1.512190  1.059544       0.3152306 1.882754       0.5058004 0.5367223      0.4030887 6.280948       3.024381  
1 1 1 0   23 38 o 18.11648 0.9946749 3.360539       0.3533232 2.805010       0.5233143 3.825918       0.4789738 -2.824181      1.989350  
1 1 1 0   23 39 o 17.58390 1.016481  3.121292       0.3553073 2.954280       0.5236078 3.263829       0.4837200 -0.8870182     2.032961  
1 1 1 0   23 40 o 48.69653 0.7768444 23.47311       0.7504583 26.24519       1.154696  21.44594       0.9874402 4.904789       1.553689  
1 1 1 0   23 41 o 23.38584 0.8599063 5.466956       0.4013315 5.854512       0.5913823 5.136095       0.5464176 1.529095       1.719813  
1 1 1 0   23 42 o 16.02749 1.185960  2.642238       0.3686026 1.911077       0.5225085 3.366579       0.5200656 -4.541181      2.371919  
1 1 1 0   23 43 o 38.86199 0.9273605 15.13566       0.7143186 14.88215       0.9452174 15.47322       1.090736  -0.7334709     1.854721  
1 1 1 0   23 44 f 57.82230 1.106915  33.66944       1.279391  34.35472       1.846317  33.03645       1.774485  1.122223       2.213829  
1 1 1 0   23 45 o 17.40538 1.309134  3.008972       0.4517238 3.573161       0.6920925 2.590239       0.5962384 2.795824       2.618268  
1 1 1 0   23 46 o 8.110754 1.962610  0.4766405      0.4098140 1.072151       0.6384563 0.5935496E-01  0.5344449 3.999000       3.925221  
1 1 1 0   23 47 o 30.64144 1.036016  9.458940       0.6348380 9.637620       0.9041639 9.285205       0.8915617 0.5717850      2.072032  
1 1 1 0   23 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   24 0  o 89.84480 1.448260  80.26521       2.589029  75.79182       3.456519  85.98278       3.907742  -5.659698      2.896520  
1 1 1 0   24 1  o 19.24859 0.7810584 3.710799       0.3002287 3.777857       0.4155447 3.637569       0.4342475 0.3649387      1.562117  
1 1 1 0   24 2  o 154.3798 2.010740  241.4931       5.948977  231.5288       9.842900  247.2279       7.467147  -5.255295      4.021480  
1 1 1 0   24 3  f 161.9777 2.451742  263.9665       7.941454  261.6999       11.12146  266.3245       11.34366  -1.407501      4.903485  
1 1 1 0   24 4  o 138.7410 2.121278  193.0672       5.877601  187.4335       8.055551  199.4807       8.595016  -4.298676      4.242556  
1 1 1 0   24 5  o 76.68398 1.300557  58.85249       1.992814  60.25513       2.892898  57.58580       2.749125  1.733253       2.601113  
1 1 1 0   24 6  o 69.45934 1.055235  47.11185       1.337911  45.47948       1.581501  51.22065       2.509107  -4.094162      2.110470  
1 1 1 0   24 7  o 73.55753 0.8820406 53.81048       1.292060  57.82171       1.939785  50.61156       1.732271  4.893417       1.764081  
1 1 1 0   24 8  o 93.24124 1.056498  87.05043       1.970076  87.69987       2.803949  86.41727       2.768604  0.6861801      2.112995  
1 1 1 0   24 9  o 39.59647 0.6679931 15.61552       0.5276484 14.69175       0.7156267 16.71599       0.7810767 -2.554165      1.335986  
1 1 1 0   24 10 o 25.47491 0.7064468 6.401930       0.3571577 5.478562       0.4756696 7.595306       0.5407629 -4.152506      1.412894  
1 1 1 0   24 11 o 182.7959 1.942081  335.4385       7.094190  328.2361       9.796803  343.3790       10.28650  -4.098755      3.884162  
1 1 1 0   24 12 o 94.41603 1.070422  89.26532       2.021066  88.49484       2.832465  90.06447       2.884689  -0.8286362     2.140844  
1 1 1 0   24 13 o 105.6560 1.175980  111.6566       2.481811  108.4140       3.407463  115.3203       3.621973  -3.256218      2.351960  
1 1 1 0   24 14 f 151.6129 1.626895  230.7110       4.933065  229.8287       6.949705  231.6070       7.003420  -0.5821228     3.253790  
1 1 1 0   24 15 f 68.66119 0.8468556 47.13606       1.161901  45.91045       1.602936  48.49295       1.686607  -1.876961      1.693711  
1 1 1 0   24 16 o 69.26225 0.8525074 47.46468       1.171899  52.51740       1.798137  43.73385       1.545121  6.329300       1.705015  
1 1 1 0   24 17 o 65.70337 0.8239410 43.17302       1.082082  44.40713       1.563335  42.03798       1.499265  1.800034       1.647882  
1 1 1 0   24 18 o 74.60098 0.8972926 54.96117       1.326282  61.24497       2.053544  50.46432       1.737189  7.209625       1.794585  
1 1 1 0   24 19 o 83.03991 0.9722138 69.05333       1.614469  69.84173       2.304435  68.29333       2.262549  0.9299164      1.944428  
1 1 1 0   24 20 o 63.06739 0.8090429 39.66219       1.017874  42.02541       1.506829  37.67878       1.380443  3.439430       1.618086  
1 1 1 0   24 21 o 68.63514 1.092666  46.19409       1.446451  51.01139       2.437032  43.57409       1.797254  5.369431       2.185331  
1 1 1 0   24 22 f 42.05907 0.7057062 17.69510       0.5934167 17.23811       0.8260571 18.18242       0.8530287 -1.121269      1.411412  
1 1 1 0   24 23 f 102.3155 1.151525  104.9596       2.356219  105.7449       3.355847  104.1960       3.309039  0.7529984      2.303050  
1 1 1 0   24 24 o 70.63322 0.8750803 49.97639       1.236194  49.92311       1.748178  50.02968       1.748308  -0.7542419E-01 1.750161  
1 1 1 0   24 25 o 18.84812 0.8736327 3.554371       0.3259525 2.903929       0.4488156 4.280351       0.4741608 -3.649509      1.747265  
1 1 1 0   24 26 o 47.48780 0.7343910 22.52633       0.6966013 23.74043       1.016608  21.45170       0.9564301 2.405869       1.468782  
1 1 1 0   24 27 o 32.75679 0.7083467 10.73264       0.4637381 11.30222       0.6676362 10.20165       0.6446186 1.678331       1.416693  
1 1 1 0   24 28 o 85.01187 1.004034  72.36934       1.705184  70.17807       2.344991  74.82811       2.483998  -2.720428      2.008067  
1 1 1 0   24 29 o 56.43285 0.7892866 31.85116       0.8899317 30.70367       1.225269  33.13239       1.294706  -2.146015      1.578573  
1 1 1 0   24 30 o 109.9717 1.234876  121.2697       2.711710  117.1901       3.710420  125.9469       3.972894  -3.944679      2.469753  
1 1 1 0   24 31 o 51.87403 0.8493542 26.82626       0.8639763 27.71947       1.373584  26.24154       1.111352  1.397781       1.698708  
1 1 1 0   24 32 o 63.08861 1.230348  40.03598       1.551648  38.65721       2.197273  41.40747       2.191461  -2.180599      2.460697  
1 1 1 0   24 33 o 39.97686 1.139230  16.11607       0.9075076 15.16756       1.314943  16.97876       1.254041  -2.274643      2.278460  
1 1 1 0   24 34 o 91.14870 1.067303  83.44537       1.945603  82.57079       2.740319  84.33437       2.762815  -0.9640961     2.134606  
1 1 1 0   24 35 o 46.13833 0.7542386 21.33614       0.6955296 21.36978       1.002302  21.30490       0.9659590 0.6632996E-01  1.508477  
1 1 1 0   24 36 f 61.93121 0.8348795 38.46600       1.033808  38.53189       1.480365  38.40327       1.444350  0.9935760E-01  1.669759  
1 1 1 0   24 37 f 62.26752 0.8423734 38.88971       1.048801  37.71677       1.470849  40.10300       1.495928  -1.912624      1.684747  
1 1 1 0   24 38 o 23.18332 0.8594828 5.340679       0.3959780 5.867871       0.6029833 4.940935       0.5250627 1.987362       1.718966  
1 1 1 0   24 39 f 49.46196 0.7778568 24.53479       0.7689825 23.34013       1.079026  25.76775       1.096188  -2.451660      1.555714  
1 1 1 0   24 40 o 45.70844 0.7727225 20.95206       0.7059250 19.90715       0.9891297 22.03677       1.007789  -2.326881      1.545445  
1 1 1 0   24 41 o 20.58330 0.9893163 4.277383       0.3998080 3.276654       0.5532757 5.371016       0.5783876 -5.082672      1.978633  
1 1 1 0   24 42 f 32.19930 0.9378528 10.41567       0.5999959 10.36176       0.8028603 10.48386       0.9029813 -0.1697006     1.875706  
1 1 1 0   24 43 f 44.04526 1.014956  19.43100       0.8919128 21.04448       1.316538  18.06228       1.212576  3.362038       2.029913  
1 1 1 0   24 44 f 56.45787 1.113357  32.08307       1.255847  31.15084       1.728784  33.12467       1.827387  -1.722992      2.226713  
1 1 1 0   24 45 o 21.66828 1.177541  4.727861       0.5096067 5.043258       0.7429605 4.447632       0.7003142 1.361977       2.355082  
1 1 1 0   24 46 o 22.14875 1.196660  4.936127       0.5287740 5.205006       0.7821066 4.709744       0.7176440 1.099174       2.393319  
1 1 1 0   24 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   25 1  f 38.53537 1.315749  14.86658       1.014058  14.86658       1.014058  ?              ?         ?              ?         
1 1 1 0   25 2  o 90.93225 1.466781  82.92020       2.667516  82.86622       3.761954  82.97479       3.783010  -0.5826569E-01 2.933562  
1 1 1 0   25 3  o 138.3601 1.612908  192.6010       4.440762  186.5186       6.559591  197.7473       6.033689  -4.097305      3.225816  
1 1 1 0   25 4  o 105.2362 1.171252  110.7303       2.461299  107.2764       3.369142  114.6834       3.604356  -3.506294      2.342504  
1 1 1 0   25 5  o 57.86523 0.7606746 33.50622       0.8802832 33.89889       1.252740  33.12322       1.237222  0.6696854      1.521349  
1 1 1 0   25 6  o 70.76497 0.8596193 50.03397       1.215160  51.98776       1.772344  48.30082       1.669274  2.600784       1.719239  
1 1 1 0   25 7  o 65.77341 0.8223837 43.29996       1.081740  43.13767       1.519446  43.46675       1.540393  -0.2493210     1.644767  
1 1 1 0   25 8  o 14.49426 0.9867941 2.089017       0.2812404 1.602852       0.3807912 2.672483       0.4171601 -3.688072      1.973588  
1 1 1 0   25 9  o 60.52352 0.7811347 36.64832       0.9453162 37.35358       1.355056  35.97967       1.319414  1.133598       1.562269  
1 1 1 0   25 10 o 72.43559 0.8785833 51.95565       1.263173  48.14082       1.666332  57.10947       1.936817  -6.178299      1.757167  
1 1 1 0   25 11 f 125.9357 1.373023  158.9935       3.457237  156.8373       4.819582  161.2790       4.962072  -1.753044      2.746046  
1 1 1 0   25 12 o 42.69612 0.6932267 18.14805       0.5903196 20.04563       0.8694702 16.52533       0.8040395 4.120049       1.386453  
1 1 1 0   25 13 o 53.52268 0.7411487 28.47029       0.7901692 30.94593       1.184239  26.48366       1.060851  4.163532       1.482297  
1 1 1 0   25 14 o 59.23619 0.7798777 35.02282       0.9219474 33.67758       1.254955  36.60012       1.358901  -2.462242      1.559755  
1 1 1 0   25 15 o 20.35365 0.7940353 4.166340       0.3213982 4.635795       0.4518518 3.685604       0.4572477 2.334457       1.588071  
1 1 1 0   25 16 o 103.9670 1.164804  108.3377       2.421732  109.5384       3.457635  107.1815       3.392973  1.128632       2.329608  
1 1 1 0   25 17 o 65.49171 0.8277988 42.09188       1.070430  48.34578       1.686329  37.87142       1.385309  7.979580       1.655598  
1 1 1 0   25 18 o 75.68046 0.9151230 57.27330       1.383572  55.41799       1.902259  59.35718       2.016027  -2.595200      1.830246  
1 1 1 0   25 19 o 105.2832 1.655206  111.0728       3.476457  116.5319       5.142907  106.4795       4.717498  4.724518       3.310412  
1 1 1 0   25 20 o 65.26566 0.8305202 42.59948       1.083203  44.08172       1.571239  41.25698       1.495340  2.159355       1.661040  
1 1 1 0   25 21 f 26.61960 0.7292990 7.060442       0.3867120 8.019806       0.5669905 6.225989       0.5287921 3.367123       1.458598  
1 1 1 0   25 22 o 78.37454 0.9384459 61.55420       1.471005  61.61103       2.080126  61.49734       2.080503  0.7256317E-01  1.876892  
1 1 1 0   25 23 o 97.20691 1.107172  94.67297       2.150680  92.28394       2.968573  97.31217       3.120126  -2.571526      2.214343  
1 1 1 0   25 24 f 106.6237 1.195648  114.1228       2.549665  113.8024       3.596600  114.4464       3.615011  -0.2999191     2.391295  
1 1 1 0   25 25 f 43.91171 0.7241671 19.30816       0.6358784 19.13059       0.8895097 19.49373       0.9093543 -0.4120216     1.448334  
1 1 1 0   25 26 f 130.0047 1.425847  169.8250       3.703722  174.5672       5.382899  165.5616       5.103934  3.421768       2.851694  
1 1 1 0   25 27 o 87.58852 1.027142  76.96511       1.799262  76.57384       2.532605  77.36384       2.556647  -0.4482651     2.054284  
1 1 1 0   25 28 o 40.41553 0.7988870 16.33714       0.6346738 16.53683       0.9967124 16.20095       0.8231227 0.3994789      1.597774  
1 1 1 0   25 29 o 56.59511 1.203921  31.71355       1.352143  28.27136       1.783449  36.36700       2.073628  -7.109211      2.407842  
1 1 1 0   25 30 o 30.52525 1.052556  9.229485       0.5680866 9.088685       0.6609285 9.627709       1.111523  -0.8225288     2.105112  
1 1 1 0   25 31 o 7.562554 1.764893  0.5529714      0.3140001 0.4032984      0.4754868 0.6687216      0.4181455 -1.042824      3.529787  
1 1 1 0   25 32 o 44.68217 0.7583227 20.00754       0.6776243 20.31191       0.9642112 19.71052       0.9525073 0.6717224      1.516645  
1 1 1 0   25 33 o 68.68246 0.8799171 47.29649       1.207924  48.03877       1.744991  46.61356       1.673759  1.028397       1.759834  
1 1 1 0   25 34 o 59.80173 0.8235782 35.82685       0.9836823 36.55878       1.434862  35.17781       1.351180  1.144333       1.647156  
1 1 1 0   25 35 o 33.03202 0.7501931 10.89322       0.4935929 11.43253       0.7384744 10.45773       0.6636042 1.466324       1.500386  
1 1 1 0   25 36 o 6.208395 1.623792  0.7807849E-01  0.3021791 0.6727566      0.4747986 -0.3267886     0.3917641 3.956783       3.247583  
1 1 1 0   25 37 o 38.47029 0.7570593 14.63014       0.5778149 16.57762       0.8884453 13.20257       0.7606623 4.369446       1.514119  
1 1 1 0   25 38 o 29.57354 0.7862736 8.775321       0.4642655 8.752627       0.6761247 8.795567       0.6386204 -0.7802391E-01 1.572547  
1 1 1 0   25 39 o 77.19182 0.9612293 59.69763       1.480085  62.48768       2.190710  57.35457       2.007573  3.290131       1.922459  
1 1 1 0   25 40 o 30.36791 0.8429143 9.261400       0.5117602 8.948293       0.7222213 9.577153       0.7252647 -1.034876      1.685829  
1 1 1 0   25 41 o 43.73169 0.9391451 19.27479       0.8147601 19.59312       1.090409  18.87241       1.225955  0.8523788      1.878290  
1 1 1 0   25 42 o 14.41679 1.605293  2.132666       0.4300846 3.237535       0.6494931 1.269864       0.5739510 6.966990       3.210586  
1 1 1 0   25 43 o 29.92468 1.028387  9.017896       0.6145284 9.033455       0.8946153 9.003993       0.8456029 0.3721619E-01  2.056773  
1 1 1 0   25 44 o 34.20380 1.293879  12.10068       0.8467048 10.85983       1.377630  12.85395       1.073366  -3.011707      2.587758  
1 1 1 0   25 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   26 0  o 80.11444 1.333509  63.84304       2.126846  68.63094       3.200005  60.05439       2.846554  5.339859       2.667017  
1 1 1 0   26 1  o 79.09856 0.9341657 62.64414       1.477744  63.19291       2.103231  62.10913       2.076713  0.6837311      1.868331  
1 1 1 0   26 2  o 57.81233 0.7697718 33.43272       0.8896294 32.82101       1.235495  34.09140       1.282048  -1.096764      1.539544  
1 1 1 0   26 3  o 74.97380 0.8995693 56.22715       1.347912  54.93752       1.863923  57.64090       1.951566  -1.798576      1.799139  
1 1 1 0   26 4  o 18.83141 0.9935857 3.556719       0.3514277 3.566452       0.4290932 3.536892       0.6124650 0.8833885E-01  1.987171  
1 1 1 0   26 5  o 44.05635 0.9650946 19.30200       0.8473257 21.54034       1.258024  17.44343       1.146347  4.643661       1.930189  
1 1 1 0   26 6  o 72.76745 1.238012  52.99544       1.799997  54.96541       2.616988  51.22670       2.479715  2.559418       2.476023  
1 1 1 0   26 7  o 57.32596 1.072726  32.30794       1.216806  37.30156       1.897322  28.81908       1.585896  7.379429       2.145451  
1 1 1 0   26 8  o 155.7497 2.048552  244.3371       6.023476  244.0065       10.39652  244.5041       7.390209  -0.5131989     4.097104  
1 1 1 0   26 9  o 52.02952 0.7364599 26.60187       0.7585332 30.70524       1.179961  23.71184       0.9902580 6.712208       1.472920  
1 1 1 0   26 10 o 130.5603 1.420136  171.0576       3.708092  172.1642       5.275088  169.9768       5.213524  0.8321838      2.840271  
1 1 1 0   26 11 o 164.2283 1.758087  271.2599       5.774544  271.1204       8.159429  271.3998       8.173467  -0.8343506E-01 3.516174  
1 1 1 0   26 12 o 53.68911 0.7458712 28.85611       0.8008988 28.97511       1.134668  28.73796       1.130627  0.2206459      1.491742  
1 1 1 0   26 13 o 122.1016 1.339105  149.2427       3.263434  144.0943       4.447397  155.2487       4.803537  -4.534195      2.678211  
1 1 1 0   26 14 f 45.65232 0.7029889 20.82508       0.6412897 21.95464       0.9289759 19.79676       0.8863650 2.361290       1.405978  
1 1 1 0   26 15 o 97.03661 1.100842  94.33972       2.135594  92.71537       2.970030  96.07861       3.072973  -1.724960      2.201685  
1 1 1 0   26 16 o 113.3098 1.262005  128.6693       2.857205  132.1534       4.151527  125.5339       3.938297  2.900917       2.524010  
1 1 1 0   26 17 o 100.5214 1.137467  101.3177       2.286447  100.1328       3.199755  102.5539       3.268386  -1.198036      2.274933  
1 1 1 0   26 18 o 78.09607 0.9366198 61.02519       1.461501  63.10415       2.124918  59.15882       2.013343  2.517281       1.873240  
1 1 1 0   26 19 o 71.71469 0.8854399 51.40724       1.267946  49.50027       1.734349  53.59666       1.858359  -2.846581      1.770880  
1 1 1 0   26 20 o 105.8165 1.188067  112.3073       2.513137  110.2522       3.489516  114.5219       3.622434  -2.003143      2.376134  
1 1 1 0   26 21 o 47.92357 0.7306877 22.99883       0.7002857 22.88302       0.9830778 23.11814       0.9977933 -0.2442665     1.461375  
1 1 1 0   26 22 o 11.75021 1.216523  1.386280       0.2852343 1.515676       0.4086109 1.263301       0.3983491 1.072629       2.433047  
1 1 1 0   26 23 o 51.37892 0.7545140 26.10772       0.7700307 29.47375       1.175299  23.57611       1.019268  5.726971       1.509028  
1 1 1 0   26 24 f 55.96382 0.7833486 31.35716       0.8763657 30.71574       1.216716  32.04868       1.263335  -1.186920      1.566697  
1 1 1 0   26 25 o 54.54469 0.9952770 29.49147       0.9923567 30.72277       1.837923  28.98480       1.178980  1.519184       1.990554  
1 1 1 0   26 26 o 55.26067 1.177169  30.66907       1.300626  31.18382       1.867571  30.18429       1.812397  0.8965263      2.354338  
1 1 1 0   26 27 o 16.61797 1.740727  3.267913       0.4525441 3.693722       0.5279377 2.088241       0.8787320 5.136709       3.481454  
1 1 1 0   26 28 o 63.85373 0.8427292 40.87836       1.076143  41.19429       1.533583  40.57189       1.510472  0.4847717      1.685458  
1 1 1 0   26 29 f 51.59893 0.7801990 26.61044       0.8039555 25.21902       1.101529  28.19652       1.176056  -2.877308      1.560398  
1 1 1 0   26 30 o 74.69611 0.9341808 55.75940       1.391941  59.13597       2.061725  52.93126       1.886879  4.130119       1.868362  
1 1 1 0   26 31 o 77.15536 0.9532930 59.74344       1.470898  59.02617       2.063163  60.48485       2.097592  -0.9404907     1.906586  
1 1 1 0   26 32 o 14.14069 1.218580  2.002954       0.3432462 2.274317       0.5029093 1.766302       0.4696431 1.790147       2.437160  
1 1 1 0   26 33 o 50.31451 0.7659093 25.38488       0.7705346 24.62839       1.085198  26.15406       1.094260  -1.514980      1.531819  
1 1 1 0   26 34 o 14.00547 1.197836  1.929312       0.3287248 2.574726       0.5051141 1.455126       0.4329570 3.981992       2.395671  
1 1 1 0   26 35 o 7.119670 1.731653  0.4031306      0.3039175 0.7274206      0.4819283 0.1890087      0.3916031 2.662838       3.463307  
1 1 1 0   26 36 o 26.54609 0.8220363 6.916356       0.4315902 8.285885       0.6717688 5.953717       0.5632042 4.376263       1.644073  
1 1 1 0   26 37 o 11.14400 1.559875  1.292682       0.3303720 1.350857       0.5194552 1.253167       0.4281142 0.3660154      3.119749  
1 1 1 0   26 38 o 78.00867 0.9712040 61.02838       1.512023  63.44796       2.227001  58.95916       2.059461  2.844116       1.942408  
1 1 1 0   26 39 f 7.703126 1.638858  0.3886516      0.3227711 1.174407       0.5110879 -0.1326573     0.4162933 5.654338       3.277716  
1 1 1 0   26 40 o 59.08558 1.039541  35.12624       1.210597  35.02346       1.582134  35.27140       1.880301  -0.1414299     2.079082  
1 1 1 0   26 41 o 12.31213 1.765772  1.646254       0.4233216 1.073473       0.6234419 2.136246       0.5766291 -4.418855      3.531544  
1 1 1 0   26 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   26 43 o 18.89044 2.008900  3.618227       0.7589800 3.618227       0.7589800 ?              ?         ?              ?         
1 1 1 0   27 1  o 108.5800 1.208574  118.1942       2.623746  116.6560       3.657204  119.8256       3.766273  -1.450356      2.417148  
1 1 1 0   27 2  o 44.89684 0.6991251 20.10274       0.6264704 19.04267       0.8530828 21.34359       0.9229638 -2.559036      1.398250  
1 1 1 0   27 3  o 36.30694 0.6797856 13.18258       0.4930910 14.06857       0.7078815 12.34749       0.6872481 2.369194       1.359571  
1 1 1 0   27 4  f 55.96825 0.7592894 31.34406       0.8497016 32.19485       1.217731  30.53674       1.186208  1.479622       1.518579  
1 1 1 0   27 5  o 76.66839 0.9191177 58.81896       1.408419  60.49399       2.037467  57.28612       1.949082  2.086334       1.838235  
1 1 1 0   27 6  o 61.71712 0.7992469 37.88559       0.9827872 41.07613       1.470425  35.30956       1.321253  4.663410       1.598494  
1 1 1 0   27 7  o 50.02077 0.7221109 25.04618       0.7223365 25.01683       1.014006  25.07643       1.029240  -0.5880356E-01 1.444222  
1 1 1 0   27 8  o 124.3090 1.359800  155.0759       3.380393  156.4432       4.820471  153.7531       4.741697  1.074516       2.719599  
1 1 1 0   27 9  o 42.86996 0.7014294 18.34630       0.6000701 17.68741       0.8165796 19.11982       0.8847708 -1.667213      1.402859  
1 1 1 0   27 10 o 80.83719 1.168127  65.40631       1.778805  65.15659       2.174733  65.91110       3.091953  -0.3884964     2.336254  
1 1 1 0   27 11 o 77.78989 1.301435  60.69831       2.024012  62.13245       2.911551  59.35712       2.815628  1.774208       2.602870  
1 1 1 0   27 12 o 51.20784 1.009981  26.28080       1.034200  26.15424       1.447699  26.41270       1.477931  -0.2499046     2.019961  
1 1 1 0   27 13 o 22.34586 1.052042  4.930652       0.4553489 6.905699       0.6905112 3.410920       0.6057109 7.812548       2.104084  
1 1 1 0   27 14 o 45.13712 0.9692459 20.36481       0.8733493 19.56922       1.191655  21.28801       1.283677  -1.896389      1.938492  
1 1 1 0   27 15 o 57.85690 0.8504474 33.25490       0.9653574 34.93703       1.537750  32.16079       1.240187  2.377056       1.700895  
1 1 1 0   27 16 o 44.48868 0.7111692 19.82012       0.6327236 20.07046       0.8932663 19.56805       0.8963544 0.5648422      1.422338  
1 1 1 0   27 17 o 147.2632 1.594667  218.3415       4.696002  220.6883       6.712005  216.0912       6.572492  1.539185       3.189333  
1 1 1 0   27 18 o 72.30573 0.8918079 52.40164       1.289653  52.56026       1.824549  52.24327       1.823141  0.2190781      1.783616  
1 1 1 0   27 19 o 73.01108 0.8983056 53.42150       1.311551  54.16065       1.873606  52.71127       1.836575  0.9890976      1.796611  
1 1 1 0   27 20 o 39.99561 0.7089836 15.96019       0.5660166 14.78171       0.7747101 17.30956       0.8289796 -3.156052      1.417967  
1 1 1 0   27 21 o 105.8053 1.192839  112.3382       2.522313  115.1765       3.652912  109.7519       3.487045  2.541519       2.385678  
1 1 1 0   27 22 o 36.21465 0.9320041 12.60340       0.6114990 14.45048       1.174653  11.91675       0.7161971 3.449047       1.864008  
1 1 1 0   27 23 o 53.17645 1.159841  28.40263       1.233391  28.77504       1.760232  28.04343       1.728750  0.6834717      2.319683  
1 1 1 0   27 24 o 83.40161 1.229432  70.80445       1.952505  72.91508       2.436493  67.01658       3.264054  3.663719       2.458864  
1 1 1 0   27 25 o 36.02825 0.7343641 13.00387       0.5290990 12.77742       0.7420610 13.23804       0.7546148 -0.6380348     1.468728  
1 1 1 0   27 26 o 82.27058 0.9870667 67.92782       1.623959  68.60960       2.317233  67.26977       2.276557  0.8088303      1.974133  
1 1 1 0   27 27 o 68.38717 1.301936  46.97959       1.778282  48.97905       2.599271  45.22028       2.438192  2.718903       2.603872  
1 1 1 0   27 28 o 58.40898 0.8173386 34.20895       0.9547748 33.87355       1.346638  34.54797       1.353902  -0.5764580     1.634677  
1 1 1 0   27 29 o 78.06459 0.9598248 60.95313       1.494817  64.22506       2.211281  58.19972       2.028508  3.833313       1.919650  
1 1 1 0   27 30 f 25.76745 0.8273348 6.661909       0.4262050 6.571820       0.6085972 6.748614       0.5970582 -0.3445663     1.654670  
1 1 1 0   27 31 o 17.04115 1.102950  2.858212       0.3557861 4.387815       0.5489195 1.750078       0.4672135 7.724533       2.205900  
1 1 1 0   27 32 o 28.19240 0.8039659 7.985270       0.4526378 7.665981       0.6491268 8.287445       0.6314905 -1.104677      1.607932  
1 1 1 0   27 33 o 75.98227 0.9483227 57.98612       1.440949  56.76389       2.026245  59.23665       2.049575  -1.623268      1.896645  
1 1 1 0   27 34 o 52.93287 0.8017876 28.07111       0.8479792 26.41248       1.175960  29.86781       1.223925  -3.256729      1.603575  
1 1 1 0   27 35 o 16.88510 1.077488  2.866606       0.3594460 2.888744       0.5540364 2.850515       0.4723470 0.9583282E-01  2.154976  
1 1 1 0   27 36 o 45.57073 0.7852094 20.70304       0.7128264 18.40166       0.9678667 23.43114       1.053782  -5.504597      1.570419  
1 1 1 0   27 37 o 12.84048 1.417064  1.739970       0.3444910 1.415159       0.5174164 1.998592       0.4616983 -2.473933      2.834128  
1 1 1 0   27 38 o 15.89698 1.362230  2.629368       0.4170381 3.371443       0.5829897 1.851679       0.5968152 4.784048       2.724460  
1 1 1 0   27 39 o 41.45644 1.014279  17.29568       0.8407987 16.91537       1.175360  17.69427       1.203269  -0.9328270     2.028558  
1 1 1 0   27 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   27 41 o 68.63931 1.243763  47.59961       1.707116  48.65174       2.441124  46.59262       2.388198  1.483887       2.487526  
1 1 1 0   27 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   28 0  o 156.2020 2.376128  245.5828       7.423053  246.3740       10.52542  244.7998       10.47036  0.4985352      4.752256  
1 1 1 0   28 1  f 22.76869 0.7779303 5.182299       0.3535561 4.742928       0.4898425 5.660116       0.5108249 -2.012806      1.555861  
1 1 1 0   28 2  o 102.2604 1.149854  104.1078       2.338035  98.06025       3.110853  111.9584       3.544360  -6.754448      2.299709  
1 1 1 0   28 3  o 17.17590 0.9123004 2.917378       0.3094017 2.326968       0.4145682 3.659716       0.4648574 -3.875942      1.824601  
1 1 1 0   28 4  o 10.97162 1.352740  1.230717       0.2849827 0.8905730      0.3897040 1.621705       0.4178158 -3.485639      2.705479  
1 1 1 0   28 5  o 62.49888 0.8077731 39.00911       1.007993  41.05458       1.479073  37.23523       1.377387  3.048641       1.615546  
1 1 1 0   28 6  o 26.82370 0.7305635 7.114794       0.3894814 6.325111       0.5181313 8.140719       0.5905703 -3.379852      1.461127  
1 1 1 0   28 7  o 58.54208 0.7809911 34.17324       0.9121794 36.49567       1.348884  32.21619       1.238240  3.647625       1.561982  
1 1 1 0   28 8  o 80.27716 0.9546860 64.57606       1.532431  64.00115       2.140364  65.18071       2.195039  -0.7301178     1.909372  
1 1 1 0   28 9  o 51.45655 0.7404584 26.49133       0.7615927 25.85654       1.055468  27.18085       1.100023  -1.283871      1.480917  
1 1 1 0   28 10 o 39.54935 0.9485049 15.67116       0.7497484 16.49721       1.071965  14.88010       1.049017  2.042412       1.897010  
1 1 1 0   28 11 o 92.05568 1.061002  84.92061       1.952196  87.19194       2.822586  82.83773       2.702944  2.352821       2.122004  
1 1 1 0   28 12 o 41.69623 0.7033627 17.32019       0.5849602 16.16316       0.7927548 18.70313       0.8666992 -3.040619      1.406725  
1 1 1 0   28 13 o 35.15847 0.7077084 12.37587       0.4973317 12.28888       0.6902146 12.46981       0.7172296 -0.2553406     1.415417  
1 1 1 0   28 14 o 22.95972 0.7968706 5.269661       0.3653099 5.089853       0.4994958 5.476439       0.5356494 -0.8388710     1.593741  
1 1 1 0   28 15 o 55.72318 0.7762065 31.10759       0.8650230 31.35274       1.221883  30.86127       1.224776  0.4412308      1.552413  
1 1 1 0   28 16 f 75.26570 0.9918512 57.01497       1.484925  58.99006       2.019128  54.68840       2.191441  2.876015       1.983702  
1 1 1 0   28 17 o 46.32166 0.8749886 21.51857       0.7712498 21.54044       0.9541079 21.47732       1.310074  0.1025200      1.749977  
1 1 1 0   28 18 o 45.69163 1.414906  0.000000       0.000000  ?              ?         20.94580       1.292987  ?              ?         
1 1 1 0   28 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   28 20 o 80.69068 2.764202  65.99097       4.460907  65.99097       4.460907  ?              ?         ?              ?         
1 1 1 0   28 21 o 13.27554 1.552501  1.857144       0.3886242 1.255164       0.5501812 2.456576       0.5490159 -4.707067      3.105002  
1 1 1 0   28 22 o 71.81748 1.079315  51.78861       1.476245  51.86338       2.504660  51.74881       1.827393  -0.1737976E-01 2.158631  
1 1 1 0   28 23 o 37.36040 0.7822424 13.62505       0.5724867 15.78084       0.9298801 12.30918       0.7264924 4.624458       1.564485  
1 1 1 0   28 24 o 28.14606 1.291048  7.984264       0.7246804 7.252344       1.020035  8.730176       1.029739  -2.623541      2.582097  
1 1 1 0   28 25 o 51.57044 0.7739389 26.65922       0.7981829 26.76954       1.137020  26.55204       1.120758  0.2090530      1.547878  
1 1 1 0   28 26 o 55.08490 0.7966184 30.39834       0.8772661 31.39079       1.262393  29.47146       1.219977  1.737190       1.593237  
1 1 1 0   28 27 o 99.23385 1.142979  99.03181       2.268338  99.63500       3.226859  98.44256       3.189300  0.5941620      2.285959  
1 1 1 0   28 28 o 106.7511 1.213784  114.7160       2.590743  116.3775       3.716741  113.1459       3.613183  1.492516       2.427567  
1 1 1 0   28 29 o 18.07359 1.008340  3.247518       0.3597959 4.066293       0.5375695 2.583102       0.4842533 4.093840       2.016680  
1 1 1 0   28 30 f 25.56597 0.8245882 6.559317       0.4210746 6.539555       0.6108475 6.577209       0.5812343 -0.7794762E-01 1.649176  
1 1 1 0   28 31 o 9.325106 1.651150  0.9504838      0.3180018 0.5647936      0.4845888 1.242201       0.4214395 -3.190879      3.302299  
1 1 1 0   28 32 o 67.27489 0.8910083 45.36968       1.197632  43.59894       1.649001  47.34637       1.742260  -2.769287      1.782017  
1 1 1 0   28 33 o 14.32004 1.251907  1.985585       0.3463899 2.894620       0.5479035 1.380346       0.4470714 5.262580       2.503813  
1 1 1 0   28 34 f 88.49611 1.058222  78.79101       1.871663  79.93513       2.705649  77.74110       2.591878  1.214455       2.116444  
1 1 1 0   28 35 o 28.66759 0.8509127 8.275950       0.4843573 7.056890       0.6777939 9.548149       0.6924092 -4.342319      1.701825  
1 1 1 0   28 36 o 34.95642 0.8217348 12.26960       0.5744569 12.43254       0.8182157 12.11122       0.8067160 0.4575081      1.643470  
1 1 1 0   28 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   28 38 o 5.850862 2.595559  -0.1976379     0.6074239 -0.1976379     0.6074239 ?              ?         ?              ?         
1 1 1 0   28 39 o 59.17067 1.134748  35.25126       1.341354  36.85458       1.954617  33.82409       1.844123  2.530193       2.269496  
1 1 1 0   28 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   29 1  o 29.37719 0.7168497 8.646859       0.4204547 9.305226       0.5984781 8.005230       0.5908213 2.212034       1.433699  
1 1 1 0   29 2  f 61.28418 0.8062248 37.58499       0.9872576 36.68027       1.361338  38.58868       1.433870  -1.551010      1.612450  
1 1 1 0   29 3  o 96.26762 1.097700  93.00034       2.113458  93.06889       2.987216  92.93166       2.990547  0.7164764E-01  2.195401  
1 1 1 0   29 4  o 33.06197 0.7137253 10.87710       0.4692417 12.66353       0.6919110 9.355748       0.6385162 4.998466       1.427451  
1 1 1 0   29 5  f 36.96812 0.9079311 13.77856       0.6665069 11.99302       0.9486693 15.51900       0.9366125 -4.770084      1.815862  
1 1 1 0   29 6  o 48.75582 1.020189  23.45091       0.9848270 21.18403       1.286242  26.66274       1.531035  -5.592377      2.040378  
1 1 1 0   29 7  o 36.19987 0.7006260 13.11884       0.5071208 12.93270       0.7075119 13.31552       0.7272494 -0.5273018     1.401252  
1 1 1 0   29 8  o 24.12351 0.7925552 5.614821       0.3727589 4.153743       0.4819529 7.790078       0.5880622 -7.528124      1.585110  
1 1 1 0   29 9  o 141.7328 1.541406  202.3101       4.369127  203.5706       6.217345  201.0804       6.141117  0.8659210      3.082813  
1 1 1 0   29 10 o 16.37011 1.035165  2.757317       0.3235218 3.749128       0.4620209 1.803162       0.4531655 5.942703       2.070330  
1 1 1 0   29 11 o 37.87674 0.7068362 14.30308       0.5338206 15.96616       0.7825974 12.85597       0.7300152 4.101540       1.413672  
1 1 1 0   29 12 o 56.10162 0.7787048 31.25140       0.8688703 28.95593       1.156558  34.22541       1.316447  -4.682152      1.557410  
1 1 1 0   29 13 o 35.85775 0.7108756 12.81361       0.5083004 12.04583       0.6872740 13.74067       0.7552096 -2.357628      1.421751  
1 1 1 0   29 14 o 34.70074 0.9247642 12.37488       0.5996789 11.20877       1.028579  12.97536       0.7381026 -2.576889      1.849528  
1 1 1 0   29 15 o 39.09590 1.078846  15.30355       0.8417371 16.79840       1.223770  13.96133       1.159612  3.619778       2.157691  
1 1 1 0   29 16 o 11.46219 2.133996  1.348043       0.4964309 1.082487       0.6569427 1.701550       0.7579628 -2.454137      4.267992  
1 1 1 0   29 17 o 56.11682 0.7867449 31.39048       0.8804396 33.97762       1.306586  29.23866       1.191602  4.210484       1.573490  
1 1 1 0   29 18 o 100.3889 1.145018  101.2717       2.298756  102.1262       3.276305  100.4431       3.226139  0.8305435      2.290037  
1 1 1 0   29 19 o 20.01385 0.8964109 4.004760       0.3559653 3.348138       0.4884457 4.748506       0.5198417 -3.494690      1.792822  
1 1 1 0   29 20 o 26.99998 1.265591  7.338045       0.6831356 7.241679       0.9762606 7.430501       0.9562494 -0.3531837     2.531181  
1 1 1 0   29 21 o 55.67265 1.057716  30.94614       1.142405  30.37370       1.442973  31.90755       1.870011  -1.312935      2.115432  
1 1 1 0   29 22 o 18.30531 0.9625677 3.360745       0.3506665 2.926376       0.4863021 3.831250       0.5061266 -2.468840      1.925135  
1 1 1 0   29 23 o 61.24944 0.8294769 37.61188       1.015915  37.02884       1.420233  38.22278       1.453796  -0.9705162     1.658954  
1 1 1 0   29 24 o 16.59976 1.046957  2.754660       0.3429498 3.427444       0.5053562 2.180304       0.4669284 3.750225       2.093914  
1 1 1 0   29 25 o 55.51193 0.8556930 30.94501       0.9421639 31.09269       1.256003  30.75500       1.424733  0.3285103      1.711386  
1 1 1 0   29 26 o 10.76926 1.671562  1.191571       0.3473763 1.013060       0.4532954 1.445572       0.5407135 -1.929820      3.343125  
1 1 1 0   29 27 o 58.91805 1.104502  34.92470       1.301477  34.93801       1.835070  34.91123       1.846113  0.2487564E-01  2.209005  
1 1 1 0   29 28 o 44.32775 0.9808187 19.57783       0.8655226 21.55546       1.302586  18.01440       1.158169  3.968834       1.961637  
1 1 1 0   29 29 f 52.66339 1.056009  27.65468       1.106375  25.61911       1.474764  30.27512       1.673271  -4.381226      2.112019  
1 1 1 0   29 30 o 49.40459 1.029568  24.51019       1.016364  25.57834       1.476469  23.54817       1.401194  2.039326       2.059135  
1 1 1 0   29 31 f 16.70215 1.291998  2.776137       0.4283486 3.275577       0.6493225 2.391324       0.5699598 2.626492       2.583996  
1 1 1 0   29 32 o 36.60421 0.9808418 13.48309       0.7176841 13.32867       1.028201  13.62980       1.002215  -0.4169388     1.961684  
1 1 1 0   29 33 o 62.10702 1.020628  37.81039       1.185070  41.66398       2.132897  36.08950       1.425323  4.329453       2.041256  
1 1 1 0   29 34 o 11.07423 2.005605  0.000000       0.000000  ?              ?         1.279678       0.4278855 ?              ?         
1 1 1 0   29 35 o 31.86703 1.733645  10.25774       1.104923  10.25774       1.104923  ?              ?         ?              ?         
1 1 1 0   29 36 o 40.86672 1.011699  16.80024       0.8263297 16.06904       1.145283  17.59420       1.193416  -1.853725      2.023398  
1 1 1 0   29 37 o 19.61495 1.286390  3.929011       0.4925333 2.911672       0.6862645 5.009693       0.7073066 -5.341568      2.572780  
1 1 1 0   29 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   30 0  o 55.30516 1.339091  31.04532       1.415642  31.99073       1.774527  29.39048       2.347750  2.395058       2.678183  
1 1 1 0   30 1  o 51.97411 1.069254  27.11611       1.111364  27.59838       1.574158  26.63684       1.569264  0.9244003      2.138507  
1 1 1 0   30 2  f 51.44684 1.068435  26.11546       1.089443  30.21002       1.682741  23.16070       1.429466  6.819229       2.136869  
1 1 1 0   30 3  o 36.85068 0.7794877 13.69371       0.5707893 12.49134       0.8303877 14.77067       0.7858855 -3.096733      1.558975  
1 1 1 0   30 4  o 63.89347 0.8329919 40.88004       1.063631  39.98444       1.469838  41.86458       1.541092  -1.464256      1.665984  
1 1 1 0   30 5  o 46.01878 0.7275143 20.88704       0.6639574 18.69876       0.8729172 23.89091       1.022734  -5.628239      1.455029  
1 1 1 0   30 6  o 19.40441 0.8848776 3.770034       0.3431612 3.623286       0.4746701 3.930710       0.4966844 -0.7897835     1.769755  
1 1 1 0   30 7  o 101.9385 1.156085  104.1378       2.352425  100.4622       3.208586  108.4101       3.459193  -3.862732      2.312171  
1 1 1 0   30 8  o 40.37043 0.7134092 16.33165       0.5758417 16.59612       0.8090523 16.06013       0.8197799 0.6647949      1.426818  
1 1 1 0   30 9  f 27.99514 0.7550367 7.714774       0.4187880 6.528556       0.5537098 9.300331       0.6401637 -4.942171      1.510073  
1 1 1 0   30 10 f 65.08476 1.041839  41.79174       1.257261  44.48850       2.281516  40.61567       1.506671  2.871941       2.083678  
1 1 1 0   30 11 o 18.77869 1.405124  3.468973       0.5161890 2.582442       0.6798924 4.675379       0.7931216 -5.551920      2.810248  
1 1 1 0   30 12 o 31.58847 0.9955841 9.912169       0.6099964 9.606489       0.7681445 10.43404       1.003671  -1.278578      1.991168  
1 1 1 0   30 13 o 38.34624 0.9876015 14.91592       0.7468316 13.65017       1.125763  15.91084       0.9980848 -2.964642      1.975203  
1 1 1 0   30 14 o 46.00002 1.089769  21.19604       1.000953  20.20680       1.368613  22.33371       1.467698  -2.297127      2.179538  
1 1 1 0   30 15 o 28.71748 1.162387  8.290532       0.6675676 8.286034       0.9496958 8.294925       0.9385689 -0.1726723E-01 2.324774  
1 1 1 0   30 16 o 49.17733 0.7536944 24.22603       0.7409464 23.83212       1.029192  24.64987       1.067575  -0.8273239     1.507389  
1 1 1 0   30 17 o 40.81416 0.7327929 16.62886       0.5968428 15.71538       0.8117538 17.70376       0.8805654 -2.428558      1.465586  
1 1 1 0   30 18 o 35.84670 0.7369831 12.83597       0.5272886 14.02944       0.7690585 11.77724       0.7243457 3.136620       1.473966  
1 1 1 0   30 19 o 58.28296 0.8110715 34.04405       0.9451183 34.79364       1.358226  33.34038       1.315973  1.241634       1.622143  
1 1 1 0   30 20 o 65.68501 0.8605195 43.26928       1.130192  42.53042       1.577273  44.04896       1.620260  -1.150154      1.721039  
1 1 1 0   30 21 o 48.66991 0.7585420 23.73039       0.7379284 23.16026       1.022381  24.35040       1.066172  -1.217155      1.517084  
1 1 1 0   30 22 o 97.96107 1.131884  96.56273       2.217518  97.14079       3.153600  95.99735       3.118777  0.5767593      2.263767  
1 1 1 0   30 23 o 34.01754 0.7625299 11.40482       0.5134563 9.458923       0.6808500 13.97090       0.7818575 -6.618313      1.525060  
1 1 1 0   30 24 o 51.38904 0.7833787 26.48843       0.8051085 26.15280       1.135312  26.82797       1.141907  -0.6560020     1.566757  
1 1 1 0   30 25 o 26.52758 0.8136129 7.060779       0.4316095 7.065285       0.6153740 7.056415       0.6055210 0.1527596E-01  1.627226  
1 1 1 0   30 26 f 76.72185 0.9553024 59.10683       1.465153  57.85675       2.034103  60.45470       2.112179  -1.679047      1.910605  
1 1 1 0   30 27 o 41.57898 0.7659178 17.28574       0.6358370 18.53420       0.9310936 16.19476       0.8703912 2.804073       1.531836  
1 1 1 0   30 28 o 97.59008 1.137621  95.90997       2.219977  94.58858       3.102387  97.29659       3.178024  -1.370178      2.275242  
1 1 1 0   30 29 o 27.09757 0.8489851 7.372741       0.4590090 6.703528       0.6406906 8.078444       0.6579261 -2.533823      1.697970  
1 1 1 0   30 30 o 29.04415 0.8262425 8.480034       0.4794003 8.051488       0.6802421 8.902914       0.6757294 -1.466572      1.652485  
1 1 1 0   30 31 o 7.754624 2.098544  0.4785455      0.3892240 -0.4309457E-01 0.9788617 0.5765105      0.4242010 0.2818928      4.197089  
1 1 1 0   30 32 o 44.65154 1.152197  20.04585       0.9885951 19.87728       1.235008  20.34652       1.649406  -0.4158211     2.304394  
1 1 1 0   30 33 o 44.98236 0.9081449 20.41453       0.7893516 20.09941       1.290151  20.60306       0.9979287 -0.6247177     1.816290  
1 1 1 0   30 34 o 37.75388 1.018306  14.36291       0.7686017 14.06889       1.094422  14.64904       1.079663  -0.7720642     2.036611  
1 1 1 0   30 35 o 71.05739 1.780926  0.000000       0.000000  ?              ?         51.05066       2.530958  ?              ?         
1 1 1 0   31 1  o 82.85941 0.9876556 68.85338       1.635869  70.75385       2.360865  67.09823       2.268815  2.193581       1.975311  
1 1 1 0   31 2  o 55.41825 0.7818006 30.74109       0.8656024 29.90560       1.191456  31.67501       1.259685  -1.589161      1.563601  
1 1 1 0   31 3  o 38.27294 0.7178159 14.66606       0.5490990 14.38744       0.7602791 14.96986       0.7938977 -0.7575912     1.435632  
1 1 1 0   31 4  o 80.94798 0.9715389 65.64510       1.570769  63.59715       2.154816  67.96731       2.294570  -2.680870      1.943078  
1 1 1 0   31 5  o 42.09188 0.8973233 18.11737       0.7204997 16.56653       1.188202  19.01920       0.9060877 -2.947350      1.794647  
1 1 1 0   31 6  o 58.68248 1.141770  34.55769       1.338735  33.46158       1.844207  35.77870       1.946442  -1.958282      2.283540  
1 1 1 0   31 7  o 11.02087 2.025731  1.291630       0.4648181 1.696092       0.6416715 0.8450667      0.6742415 3.380356       4.051462  
1 1 1 0   31 8  o 43.32348 0.9118808 18.83393       0.7329785 18.83896       0.8847601 18.82290       1.308739  0.7159042E-01  1.823762  
1 1 1 0   31 9  o 84.69822 1.004021  72.02631       1.700750  72.50797       2.412546  71.55045       2.397967  0.5631714      2.008041  
1 1 1 0   31 10 o 61.52607 0.8216386 37.80057       1.008776  40.42125       1.488424  35.57404       1.371935  3.925331       1.643277  
1 1 1 0   31 11 o 57.25742 0.7963994 32.86532       0.9116428 32.71205       1.270358  33.02808       1.309027  -0.2714806     1.592799  
1 1 1 0   31 12 o 19.81669 0.9057131 3.956904       0.3566433 4.475436       0.5045455 3.439094       0.5041944 2.614775       1.811426  
1 1 1 0   31 13 o 72.76697 0.9057640 53.01521       1.316207  51.12432       1.802153  55.17692       1.926898  -2.768005      1.811528  
1 1 1 0   31 14 o 31.94298 0.7504447 10.22964       0.4786384 11.01346       0.6825977 9.471472       0.6713365 2.412397       1.500889  
1 1 1 0   31 15 o 36.49731 0.7309693 13.32911       0.5330253 12.85725       0.7338238 13.85613       0.7755270 -1.363667      1.461939  
1 1 1 0   31 16 o 61.38645 0.8255774 37.80016       1.013480  37.68444       1.422095  37.91959       1.444727  -0.1884689     1.651155  
1 1 1 0   31 17 o 32.16558 0.7613411 10.25326       0.4836364 12.82444       0.7243171 8.184649       0.6496839 7.202728       1.522682  
1 1 1 0   31 18 o 50.16653 0.7673938 25.24073       0.7697461 25.26149       1.076532  25.21901       1.101054  0.4563141E-01  1.534788  
1 1 1 0   31 19 o 39.71130 0.7394511 15.81366       0.5872148 16.13197       0.8314736 15.49691       0.8294245 0.7993355      1.478902  
1 1 1 0   31 20 o 40.71879 0.7373492 16.52754       0.5985552 15.40594       0.8080679 17.89105       0.8909598 -3.040749      1.474698  
1 1 1 0   31 21 o 29.30170 0.7660338 8.566308       0.4475465 9.545586       0.6584201 7.725266       0.6101815 3.099554       1.532068  
1 1 1 0   31 22 o 40.56936 0.7590834 16.45477       0.6148452 15.58074       0.8400974 17.46298       0.9022731 -2.311035      1.518167  
1 1 1 0   31 23 o 17.61144 1.024537  3.112944       0.3604854 3.301340       0.5232609 2.942755       0.4973333 1.012901       2.049073  
1 1 1 0   31 24 o 48.01981 0.7865902 22.93065       0.7519332 20.88102       1.006994  25.51375       1.130473  -4.804420      1.573180  
1 1 1 0   31 25 o 29.97678 0.8062233 9.013990       0.4832046 9.257585       0.6939709 8.784750       0.6732109 0.7852688      1.612447  
1 1 1 0   31 26 o 73.10689 0.9338048 53.72908       1.365267  53.20576       1.917784  54.26683       1.944041  -0.7203293     1.867610  
1 1 1 0   31 27 o 93.47377 1.103934  87.99918       2.062987  89.55599       2.967482  86.54300       2.869970  1.587746       2.207867  
1 1 1 0   31 28 o 59.67141 1.288991  35.95068       1.537718  34.72895       2.142340  37.24902       2.208493  -2.092712      2.577983  
1 1 1 0   31 29 o 41.70918 1.143814  17.81200       0.9225194 18.70120       1.181413  16.42270       1.476728  2.808083       2.287628  
1 1 1 0   31 30 o 41.01845 0.7842492 16.89489       0.6433421 17.04061       0.9153833 16.75265       0.9043630 0.3489113      1.568498  
1 1 1 0   31 31 o 27.34375 0.8680609 7.470828       0.4729802 8.056741       0.7069111 6.995943       0.6364188 1.924328       1.736122  
1 1 1 0   31 32 o 33.80296 0.9119112 11.44718       0.6151931 12.20024       0.9067730 10.80495       0.8373919 2.048424       1.823822  
1 1 1 0   31 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   32 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   32 1  o 47.85897 1.526447  0.000000       0.000000  ?              ?         23.01688       1.461084  ?              ?         
1 1 1 0   32 2  o 90.53664 1.298291  82.75357       2.223159  83.18359       2.735938  81.91779       3.814259  0.9043427      2.596582  
1 1 1 0   32 3  o 81.31425 0.9805523 66.38392       1.594390  66.12204       2.232516  66.65652       2.277782  -0.3220062     1.961105  
1 1 1 0   32 4  o 61.18798 0.8199620 37.43518       1.001105  36.00453       1.360974  39.12195       1.477781  -2.532982      1.639924  
1 1 1 0   32 5  o 51.11986 0.7617553 26.03645       0.7763946 28.49895       1.152969  23.99341       1.050189  4.394917       1.523511  
1 1 1 0   32 6  o 81.90173 0.9825852 67.35074       1.609234  66.77999       2.251458  67.94685       2.300950  -0.7048416     1.965170  
1 1 1 0   32 7  o 52.42653 0.7662992 27.52802       0.8030566 28.54991       1.158356  26.58236       1.114312  1.871162       1.532598  
1 1 1 0   32 8  o 53.03810 0.7780206 28.21033       0.8251922 28.37645       1.159966  28.04011       1.174160  0.3188477      1.556041  
1 1 1 0   32 9  o 43.95475 0.7352574 19.36813       0.6463409 19.58213       0.9172416 19.15708       0.9109193 0.4827385      1.470515  
1 1 1 0   32 10 o 14.98592 1.095065  2.259700       0.3279810 2.290141       0.4572462 2.227439       0.4707175 0.2117004      2.190130  
1 1 1 0   32 11 o 24.77314 0.8230713 6.169597       0.4060493 6.875781       0.5773634 5.478490       0.5711675 2.819294       1.646143  
1 1 1 0   32 12 o 20.98574 0.8872114 4.459325       0.3679327 5.221828       0.5186228 3.686667       0.5220650 3.658159       1.774423  
1 1 1 0   32 13 o 46.33582 0.7472807 21.52371       0.6923105 22.27898       0.9874107 20.79342       0.9709467 1.600872       1.494561  
1 1 1 0   32 14 o 14.86074 1.099676  2.226424       0.3260731 2.375252       0.4578721 2.073272       0.4644727 1.017310       2.199352  
1 1 1 0   32 15 o 67.28694 0.8691705 45.42179       1.169343  46.52374       1.678109  44.38171       1.630328  1.584373       1.738341  
1 1 1 0   32 16 f 47.10144 0.7597614 22.17961       0.7145364 23.90207       1.043217  20.65742       0.9806932 3.435837       1.519523  
1 1 1 0   32 17 o 28.50050 0.7784100 8.150476       0.4432409 8.199235       0.6140350 8.097430       0.6404753 0.1823654      1.556820  
1 1 1 0   32 18 o 68.99635 0.8898232 47.70240       1.226185  45.90614       1.680779  49.74612       1.792812  -2.763870      1.779646  
1 1 1 0   32 19 f 16.12120 1.078990  2.615973       0.3476777 2.498195       0.4894938 2.735889       0.4939171 -0.7362738     2.157980  
1 1 1 0   32 20 f 58.44494 0.8189720 34.25470       0.9567035 33.39944       1.324825  35.18673       1.383016  -1.519535      1.637944  
1 1 1 0   32 21 o 22.06270 0.8995521 4.890366       0.3964849 5.201357       0.5649607 4.588553       0.5565622 1.387251       1.799104  
1 1 1 0   32 22 o 49.14178 0.7760985 24.23800       0.7627705 24.11845       1.078625  24.35758       1.078816  -0.2432785     1.552197  
1 1 1 0   32 23 o 17.94077 1.019233  3.207686       0.3637035 3.704933       0.5440384 2.805873       0.4890530 2.493116       2.038465  
1 1 1 0   32 24 o 34.17558 0.8759261 11.73664       0.5895345 11.72914       0.9171760 11.74193       0.7695691 -0.4707718E-01 1.751852  
1 1 1 0   32 25 f 51.82336 1.232981  27.08613       1.277232  26.08770       1.772345  28.16487       1.842241  -1.984699      2.465962  
1 1 1 0   32 26 o 27.69202 1.030382  7.949725       0.5421595 8.557545       0.6846592 6.927763       0.8877780 2.990248       2.060764  
1 1 1 0   32 27 o 50.30755 0.8142195 25.12356       0.8141468 22.65334       1.081265  28.35751       1.237175  -5.638039      1.628439  
1 1 1 0   32 28 o 31.35897 0.8184241 9.852310       0.5125244 10.58853       0.7469329 9.197252       0.7045596 2.209597       1.636848  
1 1 1 0   32 29 o 26.30050 0.8896854 6.864957       0.4640987 8.243551       0.6985100 5.775412       0.6209791 4.675413       1.779371  
1 1 1 0   32 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   33 1  o 100.6191 1.151873  101.8652       2.317339  103.8030       3.326494  100.0381       3.230059  1.851273       2.303747  
1 1 1 0   33 2  o 43.04502 0.7407859 18.58234       0.6375619 18.71510       0.8929519 18.44427       0.9106045 0.3169022      1.481572  
1 1 1 0   33 3  o 50.02957 0.7684467 25.01540       0.7675182 27.02319       1.122765  23.25408       1.051596  3.757240       1.536893  
1 1 1 0   33 4  o 32.26800 0.9290255 10.83175       0.5637699 11.71617       0.7053741 9.267599       0.9380541 3.831062       1.858051  
1 1 1 0   33 5  o 56.32623 1.120467  31.87199       1.260805  30.85690       1.733503  33.01202       1.837098  -1.892582      2.240934  
1 1 1 0   33 6  o 88.39945 1.471197  78.79975       2.596936  82.29730       3.805729  75.75203       3.552572  3.636246       2.942395  
1 1 1 0   33 7  f 27.62188 1.025883  7.667396       0.5662853 8.098470       0.8088644 7.252997       0.7930659 1.527571       2.051766  
1 1 1 0   33 8  o 38.32856 0.8788648 14.09089       0.6365991 16.74376       1.137359  12.88064       0.7682050 4.981628       1.757730  
1 1 1 0   33 9  o 47.74236 0.7567978 22.85304       0.7225183 23.34135       1.031840  22.38329       1.012038  1.000671       1.513596  
1 1 1 0   33 10 f 51.93080 0.7720913 26.98095       0.8008643 28.63961       1.167748  25.50801       1.100433  3.005676       1.544183  
1 1 1 0   33 11 o 52.27699 0.7731612 27.40577       0.8082267 28.09161       1.154434  26.74644       1.131910  1.283337       1.546322  
1 1 1 0   33 12 f 54.21840 0.7870504 29.39481       0.8519487 31.28534       1.250369  27.75660       1.163943  3.241222       1.574101  
1 1 1 0   33 13 o 37.48204 0.7368233 14.08293       0.5520636 14.74191       0.7903402 13.45504       0.7714732 1.713928       1.473647  
1 1 1 0   33 14 o 48.67584 0.7614738 23.77349       0.7412091 24.13491       1.045890  23.40883       1.050582  0.7465515      1.522948  
1 1 1 0   33 15 f 28.79660 0.7896539 8.287947       0.4520737 9.645210       0.6610301 7.095356       0.6196334 4.420851       1.579308  
1 1 1 0   33 16 o 40.62157 0.7558489 16.55558       0.6140413 16.77373       0.8691136 16.33816       0.8676592 0.5359039      1.511698  
1 1 1 0   33 17 f 9.255455 1.696714  0.8999248      0.3220493 1.140907       0.4602516 0.6687496      0.4507889 2.291512       3.393428  
1 1 1 0   33 18 o 42.20404 0.7629557 17.86969       0.6437587 18.56830       0.9198542 17.19904       0.9012554 1.619034       1.525911  
1 1 1 0   33 19 o 74.16801 0.9352868 55.28077       1.386835  54.25511       1.929009  56.37806       1.995227  -1.417412      1.870574  
1 1 1 0   33 20 o 30.50549 0.9680422 9.502704       0.5700353 9.956239       0.7275503 8.781669       0.9173515 1.965084       1.936084  
1 1 1 0   33 21 o 50.80483 1.214990  26.02979       1.233921  25.27657       1.712170  26.84374       1.779854  -1.523804      2.429981  
1 1 1 0   33 22 o 43.46391 1.018670  19.18944       0.8146438 19.46224       0.9804907 18.58135       1.463891  1.125023       2.037340  
1 1 1 0   33 23 o 69.82701 0.9139649 48.98326       1.275451  50.41115       1.847482  47.68298       1.763003  1.934799       1.827930  
1 1 1 0   33 24 o 38.68268 0.7834021 15.02828       0.6060559 15.10910       0.8618978 14.94925       0.8523666 0.2047386      1.566804  
1 1 1 0   33 25 o 32.16953 0.8090848 10.39649       0.5204974 10.20201       0.7353352 10.59178       0.7368560 -0.6054955     1.618170  
1 1 1 0   33 26 o 25.10580 1.099509  6.356328       0.5517065 6.052979       0.7759864 6.666405       0.7845458 -1.219366      2.199018  
1 1 1 0   33 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   34 0  o 66.38657 1.229256  43.88688       1.622744  40.98251       2.158623  47.66119       2.460758  -4.993305      2.458512  
1 1 1 0   34 1  o 20.21294 0.9567091 4.105503       0.3858313 4.090829       0.5272796 4.122417       0.5660799 -0.7078171E-01 1.913418  
1 1 1 0   34 2  o 23.42076 0.8554905 5.484029       0.3992380 4.859526       0.5468800 6.196626       0.5841796 -2.848196      1.710981  
1 1 1 0   34 3  o 63.95006 0.8508005 40.97151       1.086336  39.58499       1.485057  42.56745       1.593268  -2.313553      1.701601  
1 1 1 0   34 4  o 18.60629 1.005460  3.445959       0.3676095 2.631962       0.4947664 4.449095       0.5492482 -4.872353      2.010920  
1 1 1 0   34 5  o 55.56387 0.7986565 30.97653       0.8871996 30.70653       1.235712  31.26378       1.274569  -0.4952583     1.597313  
1 1 1 0   34 6  o 45.36035 0.7483534 20.57572       0.6775345 19.66380       0.9229514 21.64149       0.9977735 -2.168785      1.496707  
1 1 1 0   34 7  o 15.59548 1.265804  2.584714       0.3474556 3.954259       0.5044445 1.348433       0.4792740 8.488715       2.531608  
1 1 1 0   34 8  o 16.47989 1.073124  2.732545       0.3534951 2.604731       0.4945730 2.866037       0.5054393 -0.7904339     2.146249  
1 1 1 0   34 9  o 36.04926 0.7483461 13.01662       0.5383901 14.26703       0.7774842 11.86459       0.7462718 3.327309       1.496692  
1 1 1 0   34 10 o 51.32977 0.7804062 26.43001       0.8008001 25.98320       1.112599  26.91028       1.153514  -0.8962288     1.560812  
1 1 1 0   34 11 o 50.74934 0.7769852 25.73644       0.7864931 24.33477       1.065353  27.41543       1.165985  -3.017906      1.553970  
1 1 1 0   34 12 o 46.82980 0.7706335 21.99030       0.7210929 21.52760       0.9944974 22.50325       1.047093  -1.032635      1.541267  
1 1 1 0   34 13 o 11.11065 1.660767  1.404549       0.3675575 1.963346       0.4848129 0.6492083      0.5636621 5.670512       3.321535  
1 1 1 0   34 14 f 18.84617 1.317948  3.555803       0.4821662 2.498115       0.6470467 4.876509       0.7230358 -6.288503      2.635895  
1 1 1 0   34 15 o 7.200583 1.903813  0.3659789      0.3844592 0.8150423E-01  0.5543165 0.6296716      0.5336851 -1.836994      3.807626  
1 1 1 0   34 16 o 18.95335 1.512395  3.252943       0.5289885 4.727928       1.016646  2.705350       0.6194483 5.198288       3.024791  
1 1 1 0   34 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   34 18 o 41.90316 1.429919  17.68022       1.198362  17.68022       1.198362  ?              ?         ?              ?         
1 1 1 0   34 19 o 20.57884 1.053342  4.272586       0.4262902 4.242338       0.6650748 4.293679       0.5553767 -0.1533966     2.106684  
1 1 1 0   34 20 o 29.72888 0.8655261 8.916626       0.5109509 8.597340       0.7618698 9.177623       0.6888261 -0.9918251     1.731052  
1 1 1 0   34 21 o 13.33433 1.344004  1.792868       0.3560844 2.098022       0.5208285 1.525038       0.4879378 2.137753       2.688009  
1 1 1 0   34 22 o 50.04126 1.078094  25.21889       1.078257  25.90474       1.560181  24.59177       1.491882  1.293762       2.156188  
1 1 1 0   34 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   35 1  o 33.95599 0.7655648 11.42883       0.5166650 10.07428       0.6885880 13.17387       0.7815604 -4.548458      1.531130  
1 1 1 0   35 2  o 15.07971 1.201081  2.317402       0.3548314 1.767788       0.4970976 2.888350       0.5066535 -3.712987      2.402161  
1 1 1 0   35 3  o 47.06612 0.7680751 22.07601       0.7198898 20.59830       0.9648232 23.93188       1.081252  -3.521645      1.536150  
1 1 1 0   35 4  o 7.868408 1.797978  0.5962772      0.3281431 0.4188770      0.4511115 0.7956234      0.4782013 -1.764911      3.595956  
1 1 1 0   35 5  o 63.66328 0.8508514 40.55040       1.080200  38.68840       1.461481  42.79234       1.603667  -3.196304      1.701703  
1 1 1 0   35 6  o 66.39769 0.8762513 44.15217       1.161584  46.95970       1.704693  41.71873       1.587065  3.923622       1.752503  
1 1 1 0   35 7  o 33.80012 0.7822939 11.46183       0.5282852 11.31843       0.7287411 11.62066       0.7669377 -0.4403572     1.564588  
1 1 1 0   35 8  o 73.86119 0.9326894 54.55102       1.373119  58.61750       2.047691  51.22844       1.850946  4.960190       1.865379  
1 1 1 0   35 9  o 18.50839 1.019040  3.438706       0.3763625 3.131187       0.5183352 3.781635       0.5473644 -1.750360      2.038080  
1 1 1 0   35 10 o 24.56930 0.8697027 6.095844       0.4225529 7.239083       0.6035789 4.996952       0.5917565 4.560497       1.739405  
1 1 1 0   35 11 f 44.09826 0.7732989 19.52485       0.6820141 19.53479       0.9670568 19.51501       0.9619904 0.2148819E-01  1.546598  
1 1 1 0   35 12 o 39.68002 1.152635  15.82602       0.9117887 17.72812       1.332444  14.15097       1.250392  4.484425       2.305270  
1 1 1 0   35 13 o 47.61802 1.160143  22.79774       1.102593  24.72704       1.618152  21.12565       1.506437  3.749084       2.320285  
1 1 1 0   35 14 o 54.53801 0.8116707 29.88532       0.8852755 30.28005       1.251571  29.49008       1.252367  0.7243996      1.623341  
1 1 1 0   35 15 o 18.02918 1.044079  3.283063       0.3749127 2.932337       0.5289817 3.637057       0.5314402 -1.953754      2.088158  
1 1 1 0   35 16 o 44.81052 0.7738209 20.16246       0.6933250 20.78450       0.9845273 19.55047       0.9765410 1.375431       1.547642  
1 1 1 0   35 17 o 29.75109 1.530616  0.000000       0.000000  ?              ?         8.923649       0.9107502 ?              ?         
1 1 1 0   35 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   36 0  o 28.63428 1.141353  8.168035       0.6461753 10.07735       0.9591903 6.581539       0.8743506 6.092161       2.282706  
1 1 1 0   36 1  f 31.47265 0.7945874 9.952175       0.5000262 10.16110       0.7048842 9.740548       0.7094254 0.6690311      1.589175  
1 1 1 0   36 2  o 29.29740 0.8210955 8.639155       0.4802184 8.953303       0.6672586 8.301608       0.6916615 1.117224       1.642191  
1 1 1 0   36 3  o 66.82339 0.8826075 44.89967       1.179310  44.90010       1.650394  44.89922       1.685760  0.8453369E-02  1.765215  
1 1 1 0   36 4  o 79.99130 0.9846368 64.36771       1.574085  63.07674       2.176705  65.78285       2.279000  -1.666451      1.969274  
1 1 1 0   36 5  o 26.51339 0.8399016 7.066916       0.4440402 7.794522       0.6347581 6.369631       0.6213906 2.684347       1.679803  
1 1 1 0   36 6  o 41.75688 0.9427902 17.08845       0.7422503 18.89855       1.314880  16.24187       0.8992258 3.085567       1.885580  
1 1 1 0   36 7  o 76.52086 1.367513  59.02703       2.086463  62.88519       3.102547  55.84146       2.819176  4.507889       2.735025  
1 1 1 0   36 8  o 51.51352 0.9932917 26.80974       0.9591109 26.98627       1.170358  26.44875       1.673619  0.6416817      1.986583  
1 1 1 0   36 9  o 74.74278 1.542233  55.10801       1.778239  59.49259       4.232567  54.16819       1.959573  2.742302       3.084467  
1 1 1 0   36 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 0   36 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   0  1  f 181.6973 2.693669  330.7028       9.778991  329.9779       13.79784  331.4344       13.86154  -0.000000      0.000000  
1 1 1 1   0  2  o 233.1356 3.447479  536.2120       15.85040  496.1822       20.53260  595.2479       24.93501  -0.000000      0.000000  
1 1 1 1   0  3  o 169.9493 2.527013  284.9293       8.469915  315.8524       13.31922  263.9340       10.97484  -0.000000      0.000000  
1 1 1 1   0  4  o 156.1957 2.326083  244.1138       7.252928  250.1180       10.52470  238.6836       10.00909  -0.000000      0.000000  
1 1 1 1   0  5  o 316.1255 4.664722  1000.221       29.41994  1029.907       43.02729  974.1563       40.31699  -0.000000      0.000000  
1 1 1 1   0  6  o 260.1518 3.857806  666.6431       19.78221  612.4739       25.57457  747.3301       31.21292  -0.000000      0.000000  
1 1 1 1   0  7  o 396.7305 6.966386  1586.657       54.69182  1327.787       76.57619  1856.204       78.13932  -0.000000      0.000000  
1 1 1 1   0  8  o 76.09507 1.203156  57.99549       1.829041  58.12194       2.591210  57.86993       2.582123  -0.000000      0.000000  
1 1 1 1   0  9  o 458.9771 6.781652  2113.900       62.16691  2134.169       89.36731  2094.896       86.53562  -0.000000      0.000000  
1 1 1 1   0  10 o 258.2102 3.812660  668.0245       19.66741  672.7359       28.09119  663.4946       27.54471  -0.000000      0.000000  
1 1 1 1   0  11 o 72.08279 1.148886  51.97426       1.652810  53.50765       2.402572  50.59658       2.277308  -0.000000      0.000000  
1 1 1 1   0  12 o 116.6947 1.774508  136.3670       4.136885  135.0828       5.803643  137.6935       5.898385  -0.000000      0.000000  
1 1 1 1   0  13 o 43.77261 0.8290409 19.16812       0.7239463 18.14231       1.001212  20.29208       1.048021  -0.000000      0.000000  
1 1 1 1   0  14 f 239.0959 3.541741  568.5068       16.81802  608.8621       25.51615  537.5089       22.36308  -0.000000      0.000000  
1 1 1 1   0  15 o 360.3275 5.303117  1300.053       38.15406  1324.979       55.18241  1277.223       52.81161  -0.000000      0.000000  
1 1 1 1   0  16 o 281.2935 4.149538  792.4907       23.31748  785.1135       32.59400  800.2239       33.37153  -0.000000      0.000000  
1 1 1 1   0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   0  18 o 29.84287 1.103444  8.880175       0.6503538 7.649901       0.8727605 10.41628       0.9752246 -0.000000      0.000000  
1 1 1 1   0  19 o 504.1858 7.431083  2377.060       70.37196  2084.209       84.08300  3061.874       128.5795  -0.000000      0.000000  
1 1 1 1   0  20 o 68.99235 1.565989  47.65950       2.153040  46.08885       2.953271  49.44132       3.145533  -0.000000      0.000000  
1 1 1 1   0  21 o 15.80929 0.8853023 2.546523       0.2762786 2.535982       0.3977309 2.556351       0.3840613 -0.000000      0.000000  
1 1 1 1   0  22 o 399.8498 5.904093  1601.962       47.13995  1565.098       65.28326  1642.123       68.14041  -0.000000      0.000000  
1 1 1 1   0  23 o 492.8721 7.297799  2430.975       71.68093  2331.048       97.23232  2549.939       106.0902  -0.000000      0.000000  
1 1 1 1   0  24 o 25.83297 0.8049516 6.601318       0.4103405 7.937014       0.6253394 5.591287       0.5437876 -0.000000      0.000000  
1 1 1 1   0  25 o 68.81814 1.142632  47.42405       1.570368  48.23975       2.251415  46.65121       2.191469  -0.000000      0.000000  
1 1 1 1   0  26 o 158.8637 2.384734  252.6256       7.563812  258.1456       10.95007  247.5882       10.46041  -0.000000      0.000000  
1 1 1 1   0  27 o 491.0356 7.251025  2426.867       71.13441  2406.357       99.77756  2448.066       101.4416  -0.000000      0.000000  
1 1 1 1   0  28 o 38.74011 0.8286038 15.04060       0.6404960 15.45012       0.9201847 14.65572       0.8920660 -0.000000      0.000000  
1 1 1 1   0  29 f 136.9222 2.079866  187.8221       5.689697  186.9404       8.027015  188.7124       8.066021  -0.000000      0.000000  
1 1 1 1   0  30 o 230.6039 3.418866  532.8116       15.74211  543.9958       22.76593  522.5644       21.79143  -0.000000      0.000000  
1 1 1 1   0  31 o 323.5696 4.777595  1051.275       30.88349  1060.847       44.11080  1042.072       43.25352  -0.000000      0.000000  
1 1 1 1   0  32 o 229.9178 3.409964  530.1427       15.66349  526.2890       21.97758  534.1208       22.32966  -0.000000      0.000000  
1 1 1 1   0  33 o 110.3431 1.706948  121.9767       3.762796  121.0680       5.288933  122.9081       5.354465  -0.000000      0.000000  
1 1 1 1   0  34 o 42.03471 0.9149425 17.69657       0.7670256 18.53606       1.108782  16.92614       1.062194  -0.000000      0.000000  
1 1 1 1   0  35 o 182.2888 2.732269  333.2571       9.950818  334.4888       14.15099  332.0522       13.99546  -0.000000      0.000000  
1 1 1 1   0  36 o 157.4243 2.371310  248.3937       7.456022  244.8142       10.38510  252.2016       10.71128  -0.000000      0.000000  
1 1 1 1   0  37 o 15.16554 1.377408  2.388986       0.3901710 3.029581       0.5768024 1.848612       0.5297639 -0.000000      0.000000  
1 1 1 1   0  38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   0  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   0  40 o 17.97242 2.337565  3.395576       0.8175814 3.395576       0.8175814 3.395576       0.8175814 -0.000000      0.000000  
1 1 1 1   0  41 o 61.21561 1.098603  37.56250       1.342920  36.81965       1.881327  38.33423       1.917542  -0.000000      0.000000  
1 1 1 1   0  42 o 25.38618 1.211523  6.475883       0.5669009 6.708087       1.013082  6.370027       0.6840219 -0.000000      0.000000  
1 1 1 1   0  43 o 11.56128 2.033326  1.597233       0.4020607 1.358175       0.6124072 1.778330       0.5330217 -0.000000      0.000000  
1 1 1 1   0  44 o 66.98029 1.182156  44.60030       1.570930  48.33734       2.394291  41.77552       2.081638  -0.000000      0.000000  
1 1 1 1   0  45 o 98.53516 1.577620  97.45109       3.104826  98.09973       4.442630  96.83182       4.340911  -0.000000      0.000000  
1 1 1 1   0  46 o 79.00258 1.334260  62.61884       2.104769  63.05584       3.021955  62.20712       2.933213  -0.000000      0.000000  
1 1 1 1   0  47 o 38.60310 0.9965041 14.54543       0.7536266 17.35316       1.212633  12.77854       0.9619575 -0.000000      0.000000  
1 1 1 1   0  48 o 60.99800 1.141432  37.35358       1.390106  36.68195       1.969988  38.01968       1.961851  -0.000000      0.000000  
1 1 1 1   0  49 o 6.142489 2.354239  0.5120019      0.4321658 0.1634316      0.6633048 0.7691110      0.5696743 -0.000000      0.000000  
1 1 1 1   0  50 o 7.968897 2.632309  0.9303284      0.4601758 1.007788       0.7104974 0.8743540      0.6039754 -0.000000      0.000000  
1 1 1 1   0  51 o 46.69470 1.060755  21.74449       0.9812394 23.27196       1.498261  20.59726       1.298452  -0.000000      0.000000  
1 1 1 1   0  52 o 12.52064 2.251724  1.783098       0.4896759 2.591611       0.7765341 1.249355       0.6309325 -0.000000      0.000000  
1 1 1 1   0  53 o 39.07693 1.081437  15.41356       0.8399376 14.22508       1.195460  16.57225       1.180385  -0.000000      0.000000  
1 1 1 1   0  54 o 56.74217 1.162970  32.35728       1.316292  30.61704       1.842173  34.17258       1.881486  -0.000000      0.000000  
1 1 1 1   0  55 o 69.71318 1.281432  48.89045       1.782665  48.96658       2.571640  48.82002       2.473369  -0.000000      0.000000  
1 1 1 1   0  56 o 15.54096 2.214252  2.854236       0.5719568 2.189162       0.8936636 3.315675       0.7443829 -0.000000      0.000000  
1 1 1 1   0  57 o 13.08635 2.389957  1.923810       0.5817599 3.464546       0.9424662 0.9753639      0.7394484 -0.000000      0.000000  
1 1 1 1   0  58 o 15.89888 2.222372  2.829528       0.6110777 2.691438       0.9684820 2.920868       0.7876624 -0.000000      0.000000  
1 1 1 1   0  59 o 19.12409 1.691324  3.854662       0.6125985 3.623622       0.9650857 4.010572       0.7927935 -0.000000      0.000000  
1 1 1 1   0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   1  0  o 259.8050 4.824261  635.6614       21.74289  598.0676       24.80584  760.3148       45.16972  -30.84769      9.648521  
1 1 1 1   1  1  o 281.2517 3.793072  788.2734       20.78229  809.7446       33.62744  775.0047       26.43500  6.070435       7.586144  
1 1 1 1   1  2  o 297.1910 3.993083  776.2523       19.02318  713.1676       20.93534  1075.035       45.56126  -60.50333      7.986165  
1 1 1 1   1  3  o 188.7717 1.976209  353.2633       7.402413  332.4163       9.765116  381.4261       11.34991  -12.96915      3.952417  
1 1 1 1   1  4  o 346.0519 3.939847  1177.715       26.36010  1118.907       32.90732  1283.022       44.03550  -23.54385      7.879695  
1 1 1 1   1  5  o 272.8225 3.299845  746.2631       17.86593  629.6530       24.87751  870.4577       25.67379  -44.12212      6.599690  
1 1 1 1   1  6  o 144.3424 1.528977  205.9272       4.370685  191.9258       5.721170  225.5523       6.773355  -11.64206      3.057955  
1 1 1 1   1  7  o 256.0535 2.680627  654.3129       13.68400  677.9742       20.31577  634.6631       18.51372  8.439102       5.361254  
1 1 1 1   1  8  o 283.3536 2.961632  800.2991       16.72611  765.8510       22.56003  842.3481       24.92496  -13.47214      5.923264  
1 1 1 1   1  9  o 349.8148 3.653029  1202.637       25.13202  1109.149       32.23555  1347.538       40.13210  -33.96536      7.306057  
1 1 1 1   1  10 o 166.4427 1.752264  275.6006       5.806007  262.3474       7.775732  292.3006       8.728477  -8.991837      3.504528  
1 1 1 1   1  11 o 385.7879 4.014846  1489.941       30.96568  1519.239       44.54980  1462.555       43.07177  7.325195       8.029692  
1 1 1 1   1  12 f 290.5886 3.026911  841.0185       17.51343  886.7007       26.28148  804.5295       23.48863  14.11179       6.053822  
1 1 1 1   1  13 o 311.3383 3.236881  967.4210       20.10638  934.7753       27.32480  1005.968       29.69189  -11.41388      6.473763  
1 1 1 1   1  14 o 249.8458 2.604251  622.3799       12.97480  650.4926       19.25172  598.9838       17.56266  10.29916       5.208503  
1 1 1 1   1  15 o 445.3664 4.643634  1985.414       41.35822  2006.942       59.00282  1964.619       57.98907  4.742828       9.287269  
1 1 1 1   1  16 o 191.1517 2.003310  365.3061       7.655817  371.0110       11.00974  359.9648       10.65299  2.888046       4.006620  
1 1 1 1   1  17 o 326.5824 3.415141  1059.910       22.15399  1008.655       29.37678  1127.499       33.73420  -18.16602      6.830282  
1 1 1 1   1  18 f 343.9641 3.572715  1183.670       24.57254  1197.654       35.18639  1170.358       34.33103  3.961853       7.145431  
1 1 1 1   1  19 o 494.7131 5.136548  2420.881       50.27756  2257.466       65.61923  2653.205       78.24079  -39.85757      10.27310  
1 1 1 1   1  20 f 271.3306 2.832897  736.5811       15.37268  732.2814       21.65031  740.9529       21.83132  -1.596680      5.665794  
1 1 1 1   1  21 f 506.9857 5.294639  2554.105       53.31493  2756.238       81.34618  2401.894       70.59007  34.78787       10.58928  
1 1 1 1   1  22 f 155.8018 1.646752  242.6051       5.127758  237.8611       7.095062  247.7925       7.419287  -3.185501      3.293505  
1 1 1 1   1  23 o 125.9397 1.349873  158.6393       3.400045  158.4715       4.811379  158.8066       4.805407  -0.1330795     2.699746  
1 1 1 1   1  24 o 317.3857 3.300233  1007.353       20.92433  981.9810       28.76965  1035.846       30.48799  -8.460175      6.600466  
1 1 1 1   1  25 o 219.7823 2.297936  483.3732       10.10010  480.0410       14.17636  486.8083       14.39351  -1.536942      4.595871  
1 1 1 1   1  26 o 68.03934 0.8071541 45.46885       1.084084  51.37851       1.708166  41.48326       1.402798  7.270226       1.614308  
1 1 1 1   1  27 o 160.7091 1.698074  258.0845       5.451829  265.3260       7.937872  251.6185       7.500784  4.259293       3.396149  
1 1 1 1   1  28 o 82.53571 0.9381352 67.85477       1.543806  64.78213       2.086377  71.57279       2.295055  -4.112198      1.876270  
1 1 1 1   1  29 f 262.3351 2.736797  689.3215       14.35902  691.2355       20.36198  687.4282       20.25189  0.7233582      5.473594  
1 1 1 1   1  30 o 40.56692 0.6107886 16.42102       0.4949327 15.72081       0.6794533 17.21255       0.7224001 -1.838398      1.221577  
1 1 1 1   1  31 o 120.3603 1.301539  144.1388       3.119001  152.9583       4.685001  137.1183       4.179945  6.574165       2.603077  
1 1 1 1   1  32 o 78.64761 0.9051128 61.82901       1.423077  63.17523       2.049840  60.57652       1.977194  1.651459       1.810226  
1 1 1 1   1  33 o 114.3198 1.243973  129.6552       2.824594  122.0157       3.740247  139.7947       4.309023  -7.768135      2.487947  
1 1 1 1   1  34 o 79.75443 0.9207184 63.43517       1.465480  66.45371       2.160144  60.86123       1.994728  3.504158       1.841437  
1 1 1 1   1  35 o 104.6954 1.412812  109.4957       2.780744  110.3199       4.853724  109.0929       3.392728  0.5549927      2.825624  
1 1 1 1   1  36 o 39.56690 0.9146887 15.37344       0.7171335 18.24948       1.103643  13.27170       0.9434531 6.287834       1.829377  
1 1 1 1   1  37 o 53.51258 1.018301  28.50110       1.085437  30.29837       1.625780  27.05569       1.457973  3.026146       2.036601  
1 1 1 1   1  38 o 121.5316 1.593375  150.1956       3.762925  158.4893       4.861604  137.8022       5.942949  8.553955       3.186751  
1 1 1 1   1  39 o 58.63507 0.7543439 34.38523       0.8843974 34.95010       1.268204  33.85046       1.233953  0.9368896      1.508688  
1 1 1 1   1  40 f 131.2506 1.716206  175.2117       4.368357  183.7681       5.614944  162.0917       6.952886  8.336060       3.432413  
1 1 1 1   1  41 o 62.10231 1.098653  38.57918       1.363627  39.79504       1.974087  37.46957       1.885857  1.868118       2.197306  
1 1 1 1   1  42 o 51.12663 1.001603  25.74520       1.014560  23.13334       1.328337  29.40227       1.571807  -6.119419      2.003206  
1 1 1 1   1  43 o 57.03989 0.9067057 33.12438       0.9980401 30.35025       1.603903  34.87726       1.274941  -3.983555      1.813411  
1 1 1 1   1  44 o 114.4794 1.262205  130.9847       2.882863  136.8727       4.259967  126.0099       3.915722  4.720192       2.524410  
1 1 1 1   1  45 o 21.89366 0.8694732 4.646862       0.3679239 3.202554       0.4792817 6.719228       0.5741088 -8.025934      1.738946  
1 1 1 1   1  46 o 98.61432 1.201970  97.72819       2.354773  99.36987       3.167671  95.70041       3.520508  1.890198       2.403941  
1 1 1 1   1  47 o 39.58954 0.7031214 15.66511       0.5562327 16.55635       0.8046078 14.84929       0.7698092 2.153950       1.406243  
1 1 1 1   1  48 o 61.21340 0.8070862 37.52902       0.9879884 37.21475       1.385327  37.85433       1.409438  -0.5206413     1.614172  
1 1 1 1   1  49 o 17.19512 0.9983937 2.973699       0.3423170 3.193563       0.4797463 2.745651       0.4885936 1.303358       1.996787  
1 1 1 1   1  50 o 53.29717 0.7694417 28.43697       0.8198611 29.37326       1.178743  27.55953       1.141091  1.698280       1.538883  
1 1 1 1   1  51 o 30.25291 0.7601506 9.161123       0.4594937 9.747100       0.6607546 8.612383       0.6394152 1.873367       1.520301  
1 1 1 1   1  52 o 11.97857 1.449564  1.496609       0.3314660 1.913269       0.4701636 1.084874       0.4673763 3.630559       2.899127  
1 1 1 1   1  53 o 65.55476 0.8600172 43.07800       1.127171  42.16484       1.568896  44.05219       1.620477  -1.433151      1.720034  
1 1 1 1   1  54 o 64.25134 0.8584946 41.27185       1.100885  39.31252       1.498782  43.56746       1.622320  -3.295113      1.716989  
1 1 1 1   1  55 o 47.35748 0.7827536 22.49186       0.7413168 22.71707       1.057158  22.27398       1.039817  0.4654541      1.565507  
1 1 1 1   1  56 o 38.49495 0.7767002 14.76783       0.5959222 13.30604       0.8084532 16.50705       0.8818440 -4.147587      1.553400  
1 1 1 1   1  57 o 15.97361 1.277488  2.576796       0.4057822 2.942988       0.5819964 2.230384       0.5660607 2.226617       2.554976  
1 1 1 1   1  58 o 9.549896 1.867746  0.9462894      0.3790554 0.6493164      0.5289610 1.259770       0.5434638 -2.714993      3.735492  
1 1 1 1   1  59 o 22.18506 1.569059  5.242402       0.6611894 3.900920       1.017814  6.221831       0.8696868 -5.279957      3.138118  
1 1 1 1   1  60 o 40.18159 2.487615  16.48541       1.999127  16.48541       1.999127  ?              ?         ?              ?         
1 1 1 1   1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   2  0  o 233.3658 3.390026  439.3403       12.69588  380.4325       13.88463  739.8423       31.35966  -76.77356      6.780051  
1 1 1 1   2  1  o 252.6165 3.756301  627.7266       18.73059  708.8705       29.51660  573.0218       24.23546  26.81145       7.512603  
1 1 1 1   2  2  o 260.4843 3.836025  678.3786       19.95313  658.9456       27.31879  700.5989       29.21223  -7.967285      7.672050  
1 1 1 1   2  3  o 118.0799 1.777892  139.0330       4.188007  133.6316       5.684159  145.4470       6.194119  -4.999634      3.555783  
1 1 1 1   2  4  o 193.8091 2.439017  381.5339       9.234180  346.3778       14.32206  406.5462       12.08043  -15.54332      4.878035  
1 1 1 1   2  5  o 368.6586 3.840110  1349.031       28.08584  1454.252       43.09586  1271.348       37.02953  24.71756       7.680219  
1 1 1 1   2  6  f 366.5801 3.825166  1333.263       27.80388  1439.210       42.77906  1255.776       36.58480  24.92947       7.650332  
1 1 1 1   2  7  o 248.2777 2.600739  616.1976       12.90364  601.2290       17.81944  632.7001       18.71013  -6.329132      5.201478  
1 1 1 1   2  8  o 249.2357 2.596431  621.4038       12.93879  612.6985       18.04064  630.6248       18.56713  -3.591095      5.192863  
1 1 1 1   2  9  o 305.5085 3.721342  933.3208       22.69692  956.9003       33.27512  912.8051       31.03811  7.185547       7.442684  
1 1 1 1   2  10 o 338.1831 3.527380  1143.955       23.83588  1118.753       32.87498  1171.886       34.60995  -7.833069      7.054760  
1 1 1 1   2  11 f 210.0154 2.195357  439.3016       9.185800  462.8544       13.72838  420.2089       12.36041  10.14247       4.390714  
1 1 1 1   2  12 o 148.6101 1.577038  217.2436       4.623414  200.2864       5.976572  242.5149       7.296056  -14.20161      3.154075  
1 1 1 1   2  13 o 402.1266 4.547538  1616.039       36.06600  1638.568       56.03635  1600.108       47.12373  4.687164       9.095076  
1 1 1 1   2  14 o 419.8494 4.355865  1760.278       36.49568  1703.997       49.69068  1826.194       53.77649  -14.51797      8.711731  
1 1 1 1   2  15 o 542.3151 5.625206  2945.520       61.00550  2925.291       85.50824  2966.491       87.06236  -3.782593      11.25041  
1 1 1 1   2  16 o 248.8466 3.670129  617.7027       18.21474  645.0882       26.99342  594.8088       24.68072  10.08643       7.340258  
1 1 1 1   2  17 f 198.8679 2.081891  395.3781       8.276700  401.9476       11.92026  389.2625       11.50104  3.187622       4.163783  
1 1 1 1   2  18 o 370.3842 4.142040  1376.737       30.58342  1319.665       44.51305  1427.768       42.09144  -14.61356      8.284081  
1 1 1 1   2  19 o 461.3348 4.799352  2120.866       44.10422  2243.772       66.02298  2021.824       59.26795  23.98364       9.598703  
1 1 1 1   2  20 o 352.2287 3.659118  1241.579       25.77202  1229.713       36.03283  1254.006       36.87608  -3.440765      7.318235  
1 1 1 1   2  21 o 234.8639 2.456335  551.5532       11.53116  560.7845       16.65025  543.0447       15.98514  3.771942       4.912669  
1 1 1 1   2  22 o 362.5600 3.765321  1316.151       27.30153  1308.848       38.36653  1323.643       38.85855  -2.034180      7.530641  
1 1 1 1   2  23 o 193.4796 2.028766  372.9791       7.823205  392.1482       11.66012  357.2853       10.55031  9.000656       4.057533  
1 1 1 1   2  24 o 206.4856 2.166403  426.4384       8.943364  420.1101       12.44800  433.1899       12.85760  -3.163132      4.332807  
1 1 1 1   2  25 o 183.3073 1.927930  335.4577       7.055145  347.9903       10.36041  324.6208       9.634098  6.366943       3.855859  
1 1 1 1   2  26 o 184.9956 1.944734  342.1006       7.188939  350.6028       10.43375  334.4164       9.919151  4.368546       3.889468  
1 1 1 1   2  27 o 125.0227 1.445521  156.7096       3.591605  153.2515       5.358326  159.5309       4.839760  -2.516853      2.891043  
1 1 1 1   2  28 o 74.20529 0.8581245 53.32291       1.243579  63.15331       2.044116  47.54668       1.566903  10.51254       1.716249  
1 1 1 1   2  29 o 118.2444 1.277096  139.8369       3.019664  138.3074       4.223293  141.4367       4.319221  -1.322304      2.554191  
1 1 1 1   2  30 f 328.7973 3.424288  1082.829       22.49357  1056.815       30.96230  1111.904       32.73293  -8.324829      6.848576  
1 1 1 1   2  31 o 222.1039 2.327712  493.9113       10.33827  489.0365       14.46815  498.9970       14.77781  -2.235626      4.655424  
1 1 1 1   2  32 o 204.5021 2.320927  418.8102       9.392359  419.2740       14.36811  418.4641       12.41130  0.1512451      4.641854  
1 1 1 1   2  33 o 80.43019 1.322633  61.54755       2.050439  76.76198       3.517534  53.71696       2.523525  14.31125       2.645266  
1 1 1 1   2  34 f 55.87112 1.035792  31.06334       1.154190  28.98385       1.563215  33.55567       1.711370  -4.089432      2.071584  
1 1 1 1   2  35 o 17.28054 1.069073  2.893603       0.3635819 2.428075       0.4676192 3.605237       0.5781587 -3.404202      2.138146  
1 1 1 1   2  36 o 111.9022 1.223552  125.2839       2.737825  126.7339       3.918707  123.9012       3.826671  1.263710       2.447103  
1 1 1 1   2  37 o 116.3056 1.266533  134.9929       2.938833  141.0214       4.343343  129.9023       3.991225  4.770302       2.533067  
1 1 1 1   2  38 o 99.44511 1.105527  98.97678       2.198716  98.35749       3.094504  99.60819       3.124623  -0.6279755     2.211054  
1 1 1 1   2  39 o 110.9064 1.216677  122.4053       2.685356  130.5391       4.047412  116.0092       3.589096  6.532700       2.433354  
1 1 1 1   2  40 o 37.53557 0.6451631 14.09583       0.4842985 13.92337       0.6854777 14.26771       0.6843268 -0.4587173     1.290326  
1 1 1 1   2  41 o 82.33947 0.9541016 67.41052       1.563640  63.42162       2.090373  72.47770       2.356027  -5.488174      1.908203  
1 1 1 1   2  42 o 78.87325 0.9258976 62.14752       1.458473  59.91265       1.998333  64.69491       2.133480  -3.025726      1.851795  
1 1 1 1   2  43 o 110.5370 1.724248  122.4890       3.806169  126.8410       5.569363  118.6752       5.213694  3.661469       3.448496  
1 1 1 1   2  44 o 28.67919 0.9371439 8.193500       0.5359336 7.689288       0.7245908 8.802490       0.7963272 -1.936993      1.874288  
1 1 1 1   2  45 o 47.96313 1.420935  0.000000       0.000000  ?              ?         23.04880       1.363049  ?              ?         
1 1 1 1   2  46 o 48.88749 0.7226361 23.64483       0.7023932 21.12577       0.9356220 26.89794       1.063239  -5.897007      1.445272  
1 1 1 1   2  47 o 92.28952 1.055513  85.32877       1.947042  87.17715       2.813910  83.63094       2.696884  1.911057       2.111026  
1 1 1 1   2  48 o 51.80112 0.7457243 26.57439       0.7674085 29.46771       1.171156  24.39738       1.015889  4.883301       1.491449  
1 1 1 1   2  49 o 120.7184 1.439207  146.7786       3.444901  147.8493       4.590801  145.3987       5.211708  1.108177       2.878414  
1 1 1 1   2  50 o 42.37718 0.7247357 17.97117       0.6139425 18.57880       0.8850507 17.40759       0.8523633 1.379208       1.449471  
1 1 1 1   2  51 o 29.74028 0.7732846 8.853468       0.4595641 8.359619       0.6390762 9.382325       0.6613389 -1.717237      1.546569  
1 1 1 1   2  52 o 38.02454 0.7458673 14.43592       0.5660535 15.75340       0.8277128 13.27838       0.7758435 3.249268       1.491735  
1 1 1 1   2  53 o 17.50777 1.084676  3.103341       0.3721070 3.902608       0.5349069 2.353861       0.5179788 4.420426       2.169353  
1 1 1 1   2  54 o 37.95940 0.7610362 14.42755       0.5773627 13.97997       0.7983950 14.91820       0.8359256 -1.231461      1.522072  
1 1 1 1   2  55 o 32.67765 0.8057854 10.65174       0.5250875 9.713884       0.7134562 11.76010       0.7756022 -3.122160      1.611571  
1 1 1 1   2  56 o 10.80851 1.789143  1.236696       0.3810404 1.394176       0.5372388 1.077286       0.5405212 1.406796       3.578287  
1 1 1 1   2  57 o 32.81406 1.080042  11.23171       0.6470634 9.834004       1.145711  11.88633       0.7840833 -3.201040      2.160084  
1 1 1 1   2  58 o 35.39614 1.203976  12.77235       0.8430654 11.06917       1.223971  14.30985       1.162919  -4.593304      2.407952  
1 1 1 1   2  59 o 27.39019 0.9971052 7.603753       0.5421526 6.881158       0.7900345 8.246926       0.7453542 -2.502968      1.994210  
1 1 1 1   2  60 o 38.58660 1.500346  15.64194       1.115777  12.42048       1.702393  18.06791       1.477326  -7.397495      3.000693  
1 1 1 1   2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   3  0  o 237.1793 2.494978  560.0337       11.78602  533.2400       15.82505  593.4077       17.66167  -12.66635      4.989955  
1 1 1 1   3  1  o 314.1909 3.595401  960.6737       21.53539  901.8300       26.34136  1079.278       37.39709  -28.08643      7.190803  
1 1 1 1   3  2  o 77.49669 0.8603559 59.92862       1.331279  62.28700       1.952030  57.87783       1.820291  2.844307       1.720712  
1 1 1 1   3  3  o 147.8294 1.953207  208.2429       5.124266  197.1314       5.924650  241.2355       10.20905  -14.88556      3.906413  
1 1 1 1   3  4  f 284.2434 4.184089  808.0197       23.75052  834.7968       34.74478  784.5329       32.54012  8.806488       8.368177  
1 1 1 1   3  5  o 418.4818 6.170438  1718.738       50.64404  1957.011       81.78785  1570.566       64.49632  45.76657       12.34088  
1 1 1 1   3  6  o 358.6282 5.284384  1288.737       37.87352  1320.280       54.87062  1260.035       52.34135  8.348846       10.56877  
1 1 1 1   3  7  o 71.83144 0.9782196 52.28017       1.353419  48.98991       2.200042  54.28350       1.716692  -3.686485      1.956439  
1 1 1 1   3  8  o 64.51884 0.8985830 42.06395       1.112663  40.05181       1.832274  43.23942       1.400448  -2.471722      1.797166  
1 1 1 1   3  9  o 140.1514 1.483152  195.6998       4.143524  187.6229       5.593692  205.5203       6.167962  -6.381882      2.966305  
1 1 1 1   3  10 o 228.4279 2.386605  521.2171       10.88905  505.9679       14.94492  538.4736       15.89813  -7.106949      4.773211  
1 1 1 1   3  11 o 249.8923 2.621369  617.6022       12.95166  580.1260       16.88046  671.2388       20.19472  -18.20255      5.242739  
1 1 1 1   3  12 o 419.8833 4.364509  1739.101       36.17957  1612.289       46.88948  1925.678       56.87564  -37.20490      8.729017  
1 1 1 1   3  13 o 293.3816 3.052122  861.1195       17.90699  866.8457       25.53475  855.5782       25.11898  1.917633       6.104243  
1 1 1 1   3  14 o 274.6660 2.860579  754.6198       15.71158  760.9277       22.45580  748.5705       21.99056  2.247009       5.721157  
1 1 1 1   3  15 o 113.5589 1.224430  127.3363       2.751912  139.9398       4.278169  118.4408       3.594168  9.464455       2.448859  
1 1 1 1   3  16 o 549.6581 5.710272  3001.044       62.32882  2825.946       82.47497  3234.222       95.17548  -36.99878      11.42054  
1 1 1 1   3  17 o 351.1491 3.645858  1232.100       25.57033  1268.352       37.33466  1200.071       35.09317  9.706268       7.291716  
1 1 1 1   3  18 o 385.9145 4.016663  1489.196       30.97088  1458.970       42.68973  1522.783       45.00043  -8.248627      8.033325  
1 1 1 1   3  19 f 197.8539 2.080603  391.4655       8.231037  396.0725       11.79874  387.0977       11.48835  2.266541       4.161206  
1 1 1 1   3  20 o 93.09198 1.095074  85.96993       2.030195  76.72170       2.740313  97.22216       3.022665  -11.01005      2.190148  
1 1 1 1   3  21 o 423.9331 4.403033  1796.206       37.26363  1739.185       50.88862  1862.129       54.71682  -14.45001      8.806067  
1 1 1 1   3  22 o 499.0951 5.207973  2497.086       51.97895  2529.313       74.23306  2466.086       72.80636  6.308380       10.41595  
1 1 1 1   3  23 o 196.1737 2.057914  384.8034       8.070011  391.7647       11.63802  378.3563       11.20002  3.413788       4.115829  
1 1 1 1   3  24 o 441.3461 4.588729  1953.432       40.50357  1960.234       57.49368  1946.730       57.07008  1.520508       9.177458  
1 1 1 1   3  25 o 197.8621 2.075020  391.7358       8.210999  394.0625       11.67824  389.4610       11.54708  1.161316       4.150041  
1 1 1 1   3  26 o 133.4652 1.425026  177.6075       3.793500  185.8516       5.618898  170.7024       5.142357  5.670914       2.850051  
1 1 1 1   3  27 o 188.9911 1.985648  357.2626       7.501427  363.9673       10.82135  351.0604       10.40796  3.408340       3.971296  
1 1 1 1   3  28 o 179.2799 1.892326  321.4052       6.780479  314.8719       9.382997  328.5456       9.809293  -3.807083      3.784652  
1 1 1 1   3  29 f 77.83224 0.8926738 60.22930       1.383716  56.89391       1.856186  64.40119       2.075943  -4.821175      1.785348  
1 1 1 1   3  30 o 374.3901 4.806881  1402.559       33.61551  1430.057       59.54896  1389.698       40.72477  4.601013       9.613762  
1 1 1 1   3  31 o 168.4762 2.524445  283.2417       8.478247  297.1550       12.61593  271.7834       11.44894  7.501801       5.048891  
1 1 1 1   3  32 o 163.6084 2.452764  267.8052       8.016933  275.2778       11.67183  261.1311       11.03063  4.306747       4.905528  
1 1 1 1   3  33 o 70.89410 1.042421  49.20361       1.357922  47.64373       1.614042  52.98241       2.512153  -3.754639      2.084841  
1 1 1 1   3  34 o 136.5256 1.463252  186.4651       3.994111  183.6906       5.563132  189.4167       5.737977  -2.093658      2.926504  
1 1 1 1   3  35 o 57.53112 0.7397701 32.93271       0.8483211 35.18484       1.264825  31.09124       1.143712  3.556305       1.479540  
1 1 1 1   3  36 o 167.6132 1.776558  280.9601       5.947669  289.5956       8.682052  273.3237       8.164346  4.837189       3.553115  
1 1 1 1   3  37 o 168.1581 1.783661  283.2936       5.997851  280.4886       8.395798  286.2173       8.571416  -1.696304      3.567322  
1 1 1 1   3  38 o 81.70271 0.9420839 66.14610       1.528199  72.06375       2.338219  61.73340       2.019123  6.313782       1.884168  
1 1 1 1   3  39 o 21.00158 0.7155686 4.398051       0.2998297 4.616027       0.4431741 4.214065       0.4071581 0.9561367      1.431137  
1 1 1 1   3  40 o 74.71978 0.8860655 54.51115       1.300802  63.11166       2.090867  49.08027       1.661496  9.375504       1.772131  
1 1 1 1   3  41 o 63.73141 0.7941624 40.51622       1.010008  42.58318       1.490206  38.75999       1.373637  2.995346       1.588325  
1 1 1 1   3  42 o 83.49272 0.9657673 69.64346       1.609969  72.35577       2.361228  67.28696       2.200897  3.028069       1.931535  
1 1 1 1   3  43 o 106.4973 1.180959  113.2804       2.508738  118.5999       3.713812  108.8157       3.402390  4.574089       2.361917  
1 1 1 1   3  44 o 38.51560 0.6728191 14.84144       0.5181199 14.99732       0.7435696 14.69433       0.7223552 0.3925018      1.345638  
1 1 1 1   3  45 o 70.00482 1.766341  49.15593       2.473047  49.15593       2.473047  ?              ?         ?              ?         
1 1 1 1   3  46 o 53.86327 1.040286  29.07664       1.120654  29.21008       1.584684  28.94315       1.585006  0.2478065      2.080571  
1 1 1 1   3  47 o 38.56049 0.8635707 15.04653       0.6591804 13.07916       0.9561069 16.82890       0.9100420 -4.865452      1.727141  
1 1 1 1   3  48 o 88.76845 1.027369  79.02214       1.823939  78.95094       2.584839  79.09275       2.574074  -0.8092499E-01 2.054738  
1 1 1 1   3  49 o 14.67417 1.264793  2.320451       0.3186958 1.083408       0.4400722 3.684703       0.4621456 -9.001491      2.529585  
1 1 1 1   3  50 o 51.83242 0.7554582 26.88949       0.7825030 27.53443       1.134482  26.30421       1.080727  1.182068       1.510916  
1 1 1 1   3  51 o 54.95254 0.7780360 30.18297       0.8536170 31.60087       1.253109  28.95537       1.165987  2.398445       1.556072  
1 1 1 1   3  52 o 42.51408 0.8037576 18.22169       0.6780704 19.10057       0.9174573 17.16372       1.006603  2.287590       1.607515  
1 1 1 1   3  53 o 31.99823 0.7835218 10.27173       0.5010269 10.69651       0.7064466 9.841836       0.7106904 1.335978       1.567044  
1 1 1 1   3  54 o 50.48783 0.7802398 25.55386       0.7877772 25.14540       1.105386  25.97542       1.122993  -0.8198547     1.560480  
1 1 1 1   3  55 o 37.16485 0.8767002 13.84767       0.6388306 13.95277       1.010084  13.77761       0.8247242 0.2072258      1.753400  
1 1 1 1   3  56 o 41.57822 1.136641  17.48185       0.9406663 16.17229       1.362799  18.67354       1.300026  -3.020645      2.273282  
1 1 1 1   3  57 o 32.97728 0.8408620 10.90967       0.5543244 10.65264       0.7695753 11.18682       0.7991256 -0.8049927     1.681724  
1 1 1 1   3  58 o 19.35475 1.129398  3.785875       0.4306830 2.982403       0.5964799 4.661001       0.6225089 -4.330057      2.258796  
1 1 1 1   3  59 o 18.77515 1.430840  3.610612       0.5299407 3.266890       0.7938499 3.886917       0.7117520 -1.677141      2.861681  
1 1 1 1   3  60 o 31.56605 1.211279  10.00810       0.7578247 9.654689       0.9991363 10.48681       1.162849  -1.269131      2.422558  
1 1 1 1   3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   4  0  o 345.9562 4.009418  1131.530       26.93484  911.6240       33.62114  1525.555       45.00446  -88.55515      8.018837  
1 1 1 1   4  1  o 312.9823 3.282720  971.4990       20.38032  913.5323       26.85016  1050.291       31.30399  -21.79202      6.565439  
1 1 1 1   4  2  o 311.1125 3.256058  967.0862       20.22828  936.6081       27.68884  1001.972       29.62324  -10.48080      6.512116  
1 1 1 1   4  3  f 68.14972 0.7731897 46.19633       1.049760  43.77008       1.411122  49.20299       1.570863  -3.985542      1.546379  
1 1 1 1   4  4  o 453.1472 4.732158  2052.301       42.77459  1980.261       58.04135  2137.940       63.28276  -17.30441      9.464315  
1 1 1 1   4  5  o 424.8344 4.426229  1757.861       36.65185  1599.167       46.08500  2031.009       60.46133  -50.58472      8.852459  
1 1 1 1   4  6  f 235.1889 2.958225  560.9970       13.56651  590.5120       17.61555  517.9717       21.26847  15.46178       5.916449  
1 1 1 1   4  7  o 289.4524 3.703684  833.4814       20.00093  823.7966       24.18543  854.4353       35.57444  -5.137085      7.407369  
1 1 1 1   4  8  o 175.7284 2.613551  308.6134       9.176280  317.8409       13.34397  300.3350       12.63913  4.974091       5.227103  
1 1 1 1   4  9  o 100.9010 1.541755  100.2195       3.071961  111.7675       4.828030  92.36402       3.982003  9.610420       3.083510  
1 1 1 1   4  10 o 330.0762 4.852018  1090.800       32.00337  1116.165       46.41777  1067.818       44.18400  7.288361       9.704037  
1 1 1 1   4  11 o 180.1362 2.369052  309.0099       7.514850  357.7551       15.15584  293.1186       8.653528  17.90001       4.738104  
1 1 1 1   4  12 o 307.9462 3.209065  948.9105       19.76394  948.6992       27.85576  949.1247       28.04607  -0.6777954E-01 6.418129  
1 1 1 1   4  13 o 518.8211 5.402370  2655.561       55.31172  2465.317       71.61060  2936.910       87.08563  -45.29092      10.80474  
1 1 1 1   4  14 o 265.8833 2.768279  706.4905       14.70701  691.4053       20.28361  723.2122       21.35546  -5.975952      5.536558  
1 1 1 1   4  15 o 38.36193 0.5510865 14.68672       0.4223628 15.39639       0.6147423 14.05219       0.5812835 1.751961       1.102173  
1 1 1 1   4  16 f 286.8698 2.988210  820.8148       17.09553  791.9604       23.16083  855.3525       25.33922  -11.03613      5.976419  
1 1 1 1   4  17 o 404.1287 4.195247  1634.835       33.90836  1631.728       47.92570  1637.949       47.98166  -0.7691650     8.390494  
1 1 1 1   4  18 o 339.4876 3.526404  1153.021       23.93611  1167.995       34.35842  1138.900       33.36498  4.277527       7.052808  
1 1 1 1   4  19 o 279.2491 2.908744  779.8087       16.23747  766.5211       22.54769  794.1233       23.40269  -4.936066      5.817487  
1 1 1 1   4  20 o 266.5558 2.778490  710.9495       14.81242  709.1975       20.92333  712.7098       20.97260  -0.6584473     5.556980  
1 1 1 1   4  21 f 199.6307 2.098646  395.2581       8.316422  425.6946       12.72367  372.5566       10.98858  13.29744       4.197292  
1 1 1 1   4  22 f 212.2796 2.222183  450.3405       9.424509  440.2110       12.97838  461.6411       13.70807  -5.041534      4.444365  
1 1 1 1   4  23 o 666.4592 6.997914  4465.360       93.22509  4572.462       134.5879  4366.579       129.2542  15.28076       13.99583  
1 1 1 1   4  24 o 36.33955 0.5909857 13.07341       0.4273418 14.70890       0.6437182 11.78464       0.5714252 4.023304       1.181971  
1 1 1 1   4  25 o 252.8880 2.641248  639.4403       13.34401  656.9727       19.42568  623.7757       18.36178  6.547028       5.282496  
1 1 1 1   4  26 o 150.7260 1.598578  227.2069       4.817374  223.9225       6.710560  230.6993       6.919850  -2.245712      3.197155  
1 1 1 1   4  27 o 173.3414 2.224858  303.4208       7.386357  291.5682       12.24989  310.1920       9.258854  -5.424622      4.449717  
1 1 1 1   4  28 o 159.7403 2.395914  253.3462       7.600123  272.8940       11.60538  238.6678       10.05662  10.68404       4.791828  
1 1 1 1   4  29 o 51.18296 0.9739074 25.38030       0.9778050 30.52633       1.583561  22.20921       1.243089  8.122154       1.947815  
1 1 1 1   4  30 o 60.06240 0.9038368 36.86570       1.057529  40.46450       1.391883  31.95125       1.626525  7.088894       1.807674  
1 1 1 1   4  31 f 124.2489 1.340320  154.1948       3.325987  159.1313       4.860572  149.8481       4.561018  3.731758       2.680639  
1 1 1 1   4  32 o 78.74698 0.9110168 61.92287       1.432936  60.10752       1.966943  63.97591       2.091766  -2.454979      1.822034  
1 1 1 1   4  33 o 159.2527 1.688840  253.7761       5.377643  250.5135       7.502907  257.2227       7.711661  -2.102249      3.377679  
1 1 1 1   4  34 f 165.2798 1.750975  273.1308       5.781301  280.9974       8.422660  266.1226       7.949802  4.488174       3.501951  
1 1 1 1   4  35 o 113.7324 1.240064  129.3732       2.819577  127.1533       3.920919  131.7505       4.057558  -2.018295      2.480127  
1 1 1 1   4  36 o 82.60377 0.9492283 67.90160       1.562093  64.35811       2.099764  72.29326       2.337593  -4.798706      1.898457  
1 1 1 1   4  37 o 160.1996 1.703452  256.6454       5.449111  249.0507       7.457774  265.3436       7.981244  -5.064346      3.406905  
1 1 1 1   4  38 o 136.7036 1.470764  187.1517       4.020298  184.7028       5.614944  189.7277       5.758909  -1.831772      2.941528  
1 1 1 1   4  39 o 61.02600 0.7704057 36.72041       0.9311926 41.13245       1.444629  33.58410       1.217996  6.178699       1.540811  
1 1 1 1   4  40 o 39.47845 0.6441271 15.56134       0.5080712 14.76367       0.7010079 16.44403       0.7374164 -2.127293      1.288254  
1 1 1 1   4  41 o 112.0368 1.230263  125.6196       2.754160  128.9901       3.999568  122.5801       3.798173  2.849487       2.460526  
1 1 1 1   4  42 o 116.0029 1.270790  134.5955       2.943447  139.4161       4.314059  130.3969       4.026164  3.869522       2.541581  
1 1 1 1   4  43 o 58.43116 1.057718  34.14234       1.234693  33.02876       1.697811  35.39234       1.798800  -2.016766      2.115437  
1 1 1 1   4  44 o 64.01543 0.8063583 40.54223       1.024318  44.84185       1.573104  37.37738       1.349644  5.819477       1.612717  
1 1 1 1   4  45 o 49.66218 0.8532921 24.68423       0.8470725 25.12587       1.221999  24.27573       1.175251  0.8531189      1.706584  
1 1 1 1   4  46 o 59.32103 0.7797990 35.12403       0.9232637 36.92611       1.360059  33.58382       1.257363  2.811127       1.559598  
1 1 1 1   4  47 o 58.37582 0.9622613 33.54821       1.043632  32.56648       1.252374  35.77922       1.887949  -2.700310      1.924523  
1 1 1 1   4  48 o 8.996304 1.883513  0.8173491      0.3776728 0.5023714      0.5424883 1.113593       0.5261081 -2.613528      3.767026  
1 1 1 1   4  49 o 44.78978 0.9848228 19.99716       0.8791021 18.69326       1.184108  21.59845       1.312214  -3.229767      1.969646  
1 1 1 1   4  50 o 27.35313 0.7585925 7.469929       0.4138337 7.832968       0.6135219 7.166867       0.5605564 1.212887       1.517185  
1 1 1 1   4  51 f 20.71433 0.8570871 4.243651       0.3518040 5.151989       0.5302056 3.529192       0.4702285 3.910439       1.714174  
1 1 1 1   4  52 o 41.14156 0.7336338 16.94601       0.6032464 17.36425       0.8728318 16.56353       0.8346846 0.9693031      1.467268  
1 1 1 1   4  53 o 27.52527 0.8103448 7.619711       0.4409751 6.195152       0.6136456 9.140939       0.6341245 -5.348658      1.620690  
1 1 1 1   4  54 f 45.18972 1.134871  20.57265       1.022881  20.05825       1.492003  21.02884       1.405054  -1.089760      2.269742  
1 1 1 1   4  55 o 37.79298 0.9343420 13.72161       0.6631110 12.65047       0.7960986 16.14870       1.198364  -4.562027      1.868684  
1 1 1 1   4  56 o 31.42677 0.8344155 9.913152       0.5243240 10.18662       0.7423044 9.640856       0.7407104 0.8680706      1.668831  
1 1 1 1   4  57 o 33.17329 0.8301551 11.04070       0.5504775 10.53724       0.7690802 11.56959       0.7882596 -1.552826      1.660310  
1 1 1 1   4  58 f 16.77090 1.357109  2.756814       0.4480498 3.443316       0.7108778 2.304370       0.5771081 3.355083       2.714218  
1 1 1 1   4  59 o 13.80397 1.853722  2.003098       0.4969659 1.518474       0.6987495 2.499169       0.7069542 -3.755919      3.707444  
1 1 1 1   4  60 o 46.43128 1.159058  21.82961       1.073016  23.20717       1.495193  20.36676       1.540783  3.071964       2.318115  
1 1 1 1   4  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   5  0  o 150.0096 1.581527  224.8671       4.740960  219.9635       6.547119  230.2729       6.874302  -3.434311      3.163054  
1 1 1 1   5  1  o 280.3121 2.919859  785.2779       16.34965  809.4719       23.83754  763.7856       22.46707  8.134125       5.839717  
1 1 1 1   5  2  o 371.8466 3.882170  1384.844       28.87062  1375.034       40.64433  1394.836       41.01665  -2.657288      7.764339  
1 1 1 1   5  3  o 343.9447 3.607541  1157.745       24.32047  1316.758       39.35266  1059.480       30.93547  37.28687       7.215081  
1 1 1 1   5  4  f 350.8464 3.687502  1152.453       24.33357  1015.396       29.09922  1471.155       44.37337  -64.73953      7.375004  
1 1 1 1   5  5  o 210.2401 2.195648  442.1777       9.231287  445.9137       13.17052  438.5700       12.94249  1.744644       4.391296  
1 1 1 1   5  6  o 273.5924 2.846700  748.5597       15.56610  764.7978       22.51720  733.6966       21.54271  5.673523       5.693399  
1 1 1 1   5  7  o 312.2194 3.249962  975.8724       20.29401  977.4955       28.71269  974.2521       28.68745  0.5191040      6.499924  
1 1 1 1   5  8  o 236.2055 2.462872  556.4836       11.60374  535.4781       15.73557  581.5214       17.17970  -9.734100      4.925745  
1 1 1 1   5  9  o 528.2319 5.507082  2783.106       57.92040  2653.040       77.64763  2946.262       86.96572  -27.59570      11.01416  
1 1 1 1   5  10 o 168.8868 2.152047  288.5943       7.006750  298.3123       8.886471  272.6245       11.39182  7.618835       4.304094  
1 1 1 1   5  11 o 216.8615 3.202963  469.8622       13.87314  457.6043       19.03757  483.7426       20.25847  -6.018097      6.405925  
1 1 1 1   5  12 o 305.5252 4.502463  932.6639       27.47187  966.2927       40.18981  903.1705       37.63783  10.30847       9.004927  
1 1 1 1   5  13 o 331.0341 4.862511  1090.095       32.01294  1034.671       42.66338  1161.512       48.42901  -19.10706      9.725021  
1 1 1 1   5  14 o 414.3710 5.257829  1738.385       41.80795  1650.952       68.80696  1789.556       52.63935  -16.88303      10.51566  
1 1 1 1   5  15 o 470.6148 4.884485  2209.325       45.81786  2122.591       61.83572  2314.917       68.22721  -20.37244      9.768970  
1 1 1 1   5  16 o 565.5287 5.869740  3202.306       66.34824  3147.694       91.91600  3261.718       95.87000  -10.03473      11.73948  
1 1 1 1   5  17 f 457.8781 5.487842  2093.360       50.10911  2187.421       74.32283  2014.971       67.84879  18.75613       10.97568  
1 1 1 1   5  18 o 457.7122 4.748464  2095.780       43.42712  2046.667       59.86803  2150.320       63.08892  -11.28662      9.496927  
1 1 1 1   5  19 f 486.0737 5.049217  2356.042       48.89045  2487.667       73.15465  2249.799       65.72385  24.36792       10.09843  
1 1 1 1   5  20 o 208.7591 2.185567  434.3377       9.095356  416.9378       12.28418  455.4512       13.53168  -9.216156      4.371134  
1 1 1 1   5  21 o 339.2548 3.526979  1151.486       23.91481  1130.042       33.10530  1174.890       34.58446  -6.591461      7.053958  
1 1 1 1   5  22 o 85.09664 0.9611109 72.13665       1.631152  68.82586       2.208524  76.11010       2.419477  -4.279144      1.922222  
1 1 1 1   5  23 o 29.48152 0.5838804 8.691961       0.3442643 8.604767       0.4861324 8.779683       0.4875973 -0.2966499     1.167761  
1 1 1 1   5  24 o 414.3001 5.335556  1694.933       40.59350  1797.418       74.88229  1652.283       48.30744  16.74924       10.67111  
1 1 1 1   5  25 o 154.9428 2.323531  239.8010       7.187563  248.4428       10.54725  232.3081       9.821059  5.195862       4.647063  
1 1 1 1   5  26 o 131.6922 1.995062  172.4255       5.226337  163.2098       6.969878  184.2631       7.899400  -7.979301      3.990124  
1 1 1 1   5  27 o 140.3598 1.860643  191.5959       4.738880  184.3904       5.574608  210.3693       8.998175  -9.203873      3.721285  
1 1 1 1   5  28 o 175.5327 1.853498  308.3494       6.506860  308.0523       9.170842  308.6505       9.233660  -0.1694946     3.706997  
1 1 1 1   5  29 f 135.1280 1.446108  181.3308       3.884633  171.1219       5.164259  194.6354       5.895473  -8.691269      2.892216  
1 1 1 1   5  30 o 51.22849 0.6802153 26.09738       0.6945741 28.06848       1.035677  24.48616       0.9363660 3.495785       1.360431  
1 1 1 1   5  31 o 114.2008 1.243748  127.6468       2.791034  145.3679       4.478158  116.3908       3.569011  12.67529       2.487497  
1 1 1 1   5  32 o 128.3193 1.379552  164.6910       3.539284  167.2083       5.084705  162.3249       4.929510  1.900444       2.759104  
1 1 1 1   5  33 o 94.19647 1.051127  88.40478       1.974276  84.40606       2.669468  93.23275       2.933230  -4.681786      2.102253  
1 1 1 1   5  34 o 94.42188 1.053881  89.19685       1.990169  89.33058       2.821574  89.06444       2.807527  0.1407089      2.107762  
1 1 1 1   5  35 o 102.4908 1.133953  104.2616       2.310171  97.93545       3.068809  112.5351       3.509513  -7.113968      2.267905  
1 1 1 1   5  36 o 33.96577 0.6359094 11.43890       0.4300163 12.67505       0.6463634 10.45732       0.5759746 3.263702       1.271819  
1 1 1 1   5  37 o 101.5043 1.124272  103.0011       2.280321  100.4120       3.145306  105.8697       3.310774  -2.683754      2.248545  
1 1 1 1   5  38 o 105.2603 1.162086  110.9109       2.446166  109.8595       3.428823  112.0007       3.490810  -1.014877      2.324173  
1 1 1 1   5  39 o 128.5245 1.389416  165.4584       3.570869  163.6858       4.994692  167.3118       5.107128  -1.405312      2.778831  
1 1 1 1   5  40 o 76.98375 0.9030085 58.98817       1.384681  62.91161       2.074929  55.83799       1.859246  4.586098       1.806017  
1 1 1 1   5  41 o 86.95281 0.9956822 75.56837       1.729098  78.16728       2.527695  73.28264       2.370496  2.801605       1.991364  
1 1 1 1   5  42 f 45.87782 0.6819768 20.98034       0.6245267 19.66158       0.8521945 22.51026       0.9178877 -3.102352      1.363954  
1 1 1 1   5  43 o 60.14795 0.7756033 35.94976       0.9284033 38.78696       1.400357  33.72472       1.240119  4.201332       1.551207  
1 1 1 1   5  44 o 55.68920 0.7496553 30.94491       0.8332604 32.56901       1.227132  29.55537       1.135063  2.701431       1.499311  
1 1 1 1   5  45 o 79.97424 0.9467976 63.96276       1.512389  66.11745       2.208420  62.05972       2.075451  2.528076       1.893595  
1 1 1 1   5  46 o 38.45884 0.6788299 14.80204       0.5219943 14.96545       0.7486722 14.64745       0.7281772 0.4123306      1.357660  
1 1 1 1   5  47 f 45.77768 0.7130471 20.63855       0.6465114 23.50590       1.003278  18.60235       0.8454562 5.345936       1.426094  
1 1 1 1   5  48 o 40.95451 0.7036999 16.80052       0.5762184 16.61166       0.8222613 16.98276       0.8077250 -0.4541016     1.407400  
1 1 1 1   5  49 o 23.93306 0.7957923 5.640727       0.3756843 7.155316       0.5701526 4.478540       0.4994380 5.586161       1.591585  
1 1 1 1   5  50 o 18.33204 1.220929  3.373053       0.4468980 3.109060       0.6206283 3.657340       0.6440402 -1.491982      2.441858  
1 1 1 1   5  51 f 30.29087 1.004656  9.209960       0.6080846 9.740715       0.8662409 8.694321       0.8538169 1.725588       2.009313  
1 1 1 1   5  52 o 32.44061 1.376220  10.15316       0.8039332 11.64111       1.559451  9.614584       0.9382147 3.005997       2.752441  
1 1 1 1   5  53 o 27.18486 1.039917  7.429433       0.5597635 7.467233       0.7422174 7.379574       0.8524264 0.1780071      2.079835  
1 1 1 1   5  54 f 13.61583 1.302854  1.841699       0.3316308 2.715488       0.5136617 1.217154       0.4342661 5.631136       2.605707  
1 1 1 1   5  55 o 45.99288 0.7696801 21.16074       0.7062283 21.96134       1.043265  20.48354       0.9594997 1.595177       1.539360  
1 1 1 1   5  56 o 49.24809 0.7844687 24.24327       0.7707809 25.57806       1.139732  23.11827       1.046343  2.483669       1.568937  
1 1 1 1   5  57 o 24.99202 0.9635990 6.268958       0.4801788 6.401631       0.7104236 6.157368       0.6515414 0.4773159      1.927198  
1 1 1 1   5  58 o 33.52847 1.022497  11.25148       0.6806776 11.82934       1.036814  10.81377       0.9023743 1.483845       2.044994  
1 1 1 1   5  59 o 12.60393 2.156533  1.740054       0.5342292 1.940911       0.6881710 1.435424       0.8474987 1.918176       4.313066  
1 1 1 1   5  60 o 57.41440 1.201397  33.28928       1.376506  33.09522       1.882736  33.51214       2.017601  -0.3222580     2.402795  
1 1 1 1   5  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   6  0  o 182.2195 1.908990  332.1572       6.956930  333.5470       9.880697  330.7908       9.797006  0.7556610      3.817979  
1 1 1 1   6  1  o 320.1459 3.347742  1025.922       21.43218  1013.463       29.99817  1038.912       30.63111  -3.966736      6.695483  
1 1 1 1   6  2  o 388.7294 4.045362  1487.287       30.97824  1371.773       39.89626  1662.671       49.15973  -37.27655      8.090724  
1 1 1 1   6  3  o 201.5661 2.107910  405.9349       8.488473  395.4798       11.68231  417.6287       12.35494  -5.488922      4.215820  
1 1 1 1   6  4  o 371.3177 3.869213  1336.260       27.92458  1205.889       34.91082  1567.845       46.52889  -48.57367      7.738426  
1 1 1 1   6  5  f 408.4813 4.276202  1648.782       34.49459  1537.322       44.76630  1811.682       54.11920  -33.43893      8.552403  
1 1 1 1   6  6  o 359.0317 3.733674  1287.669       26.75340  1336.447       39.39405  1245.916       36.44755  12.56998       7.467349  
1 1 1 1   6  7  o 309.2690 3.218320  951.9281       19.81144  905.4166       26.51139  1010.748       29.81364  -16.99557      6.436641  
1 1 1 1   6  8  o 120.9271 1.292583  146.1966       3.125145  144.1863       4.353513  148.3338       4.488838  -1.714424      2.585165  
1 1 1 1   6  9  o 425.4619 4.433022  1808.577       37.65876  1748.114       51.49258  1878.105       55.21738  -15.23795      8.866043  
1 1 1 1   6  10 o 522.3687 5.430872  2698.524       56.09330  2518.502       73.06863  2956.865       87.53172  -41.80093      10.86174  
1 1 1 1   6  11 o 69.77979 0.8092793 48.59353       1.127907  50.57718       1.648165  46.84626       1.546853  2.673203       1.618559  
1 1 1 1   6  12 o 124.6549 1.330923  155.1244       3.313246  150.5804       4.540245  160.3010       4.845957  -3.898232      2.661846  
1 1 1 1   6  13 o 253.2972 3.231325  641.9185       15.44162  641.8446       18.92206  642.0656       26.71741  0.3616333E-02  6.462650  
1 1 1 1   6  14 o 428.4823 5.387385  1862.444       44.67449  1939.385       57.10718  1741.093       71.71879  23.29108       10.77477  
1 1 1 1   6  15 o 333.5730 4.900743  1114.217       32.69506  1113.434       46.19413  1115.003       46.28160  -0.2344360     9.801486  
1 1 1 1   6  16 o 568.1844 8.388660  3242.024       95.31886  3255.913       134.1483  3227.863       135.4638  2.491638       16.77732  
1 1 1 1   6  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   6  18 o 366.1590 4.651986  1347.258       32.27265  1329.122       55.15939  1356.697       39.79484  -3.950348      9.303972  
1 1 1 1   6  19 o 443.2370 4.600914  1961.519       40.66887  1887.245       55.07803  2050.562       60.30576  -18.35236      9.201827  
1 1 1 1   6  20 o 328.6540 3.416346  1080.660       22.44342  1100.617       32.39037  1062.229       31.12689  5.825531       6.832692  
1 1 1 1   6  21 o 503.7659 6.481184  2506.667       59.97466  2658.409       110.5773  2443.425       71.38694  20.35049       12.96237  
1 1 1 1   6  22 o 125.6471 1.906514  157.9382       4.790773  157.0309       6.739279  158.8651       6.811653  -0.7293015     3.813028  
1 1 1 1   6  23 o 283.2727 4.180266  804.1108       23.67298  817.7462       34.08077  791.3981       32.90734  4.624878       8.360532  
1 1 1 1   6  24 o 185.9795 2.768968  344.9193       10.26359  330.4320       13.84125  362.6157       15.29757  -8.628174      5.537937  
1 1 1 1   6  25 o 94.80193 1.129399  90.15430       2.133410  93.52465       2.928240  86.34138       3.114570  3.790070       2.258798  
1 1 1 1   6  26 o 212.4853 2.225483  451.3215       9.445343  439.3521       12.96810  464.8458       13.78474  -5.984299      4.450965  
1 1 1 1   6  27 o 277.5341 2.893286  771.6105       16.05852  776.7665       22.87678  766.6021       22.54716  1.823761       5.786571  
1 1 1 1   6  28 o 64.02650 0.7769688 40.05419       0.9794728 46.37332       1.561724  35.95693       1.257542  8.132488       1.553938  
1 1 1 1   6  29 o 131.6016 1.411230  173.1886       3.712945  176.3214       5.342140  170.2610       5.164176  2.300293       2.822459  
1 1 1 1   6  30 o 122.6255 1.323092  150.4122       3.244411  148.7803       4.541012  152.1139       4.637075  -1.358040      2.646183  
1 1 1 1   6  31 f 351.9462 3.667616  1243.680       25.81520  1249.203       36.68819  1238.263       36.33084  1.540070       7.335231  
1 1 1 1   6  32 o 137.7784 1.475566  188.4862       4.040123  177.7155       5.362580  202.6247       6.143999  -9.026093      2.951131  
1 1 1 1   6  33 o 37.81979 0.6335678 14.18151       0.4771256 15.80041       0.7154809 12.88505       0.6402797 3.853622       1.267136  
1 1 1 1   6  34 o 47.82633 0.6762069 22.70330       0.6442462 20.84524       0.8660086 25.00595       0.9640620 -4.348763      1.352414  
1 1 1 1   6  35 o 55.14857 0.7259797 30.33965       0.7993777 31.81494       1.173022  29.06048       1.092274  2.496216       1.451959  
1 1 1 1   6  36 o 112.9672 1.234622  127.4879       2.785002  123.5219       3.811469  132.0309       4.079336  -3.758644      2.469244  
1 1 1 1   6  37 o 151.1556 1.614663  228.8661       4.880101  225.8803       6.810758  232.0165       6.995978  -2.021652      3.229327  
1 1 1 1   6  38 o 107.9128 1.186712  116.5974       2.561101  117.1751       3.643549  116.0331       3.600718  0.5274658      2.373425  
1 1 1 1   6  39 o 26.85437 0.6476185 7.213717       0.3477509 7.257442       0.4976927 7.172005       0.4861001 0.1588039      1.295237  
1 1 1 1   6  40 o 110.5236 1.215051  122.3799       2.685834  122.1573       3.795956  122.6030       3.800734  -0.2014008     2.430102  
1 1 1 1   6  41 o 33.75042 0.6556196 11.25018       0.4396731 12.99231       0.6663712 9.907049       0.5851077 4.568171       1.311239  
1 1 1 1   6  42 o 135.1760 2.065020  183.8206       5.581131  186.5909       8.012521  181.2097       7.778503  1.964920       4.130040  
1 1 1 1   6  43 o 56.46812 0.7521897 31.62554       0.8444135 34.53040       1.282640  29.40348       1.121815  4.532795       1.504379  
1 1 1 1   6  44 f 74.51389 0.8932746 55.57288       1.330519  56.62760       1.919505  54.59745       1.845928  1.357819       1.786549  
1 1 1 1   6  45 o 52.48100 0.7387583 27.50011       0.7739421 28.70631       1.137890  26.46175       1.055758  2.134155       1.477517  
1 1 1 1   6  46 o 16.17660 0.9336046 2.620469       0.3015567 2.650270       0.4403272 2.594147       0.4138358 0.1714344      1.867209  
1 1 1 1   6  47 o 43.76685 0.7007039 19.18120       0.6132948 18.88888       0.8676693 19.47307       0.8669907 -0.6674271     1.401408  
1 1 1 1   6  48 o 45.93431 0.7131234 21.09859       0.6543716 21.77945       0.9537120 20.49293       0.8995072 1.396362       1.426247  
1 1 1 1   6  49 o 34.02238 0.7029847 11.52870       0.4768478 12.42912       0.7094559 10.78673       0.6440133 2.408524       1.405969  
1 1 1 1   6  50 o 24.86580 1.081141  5.683181       0.4682265 7.303248       0.9801341 5.204136       0.5329757 4.161150       2.162281  
1 1 1 1   6  51 o 57.81912 1.171265  33.41299       1.347345  35.41747       2.032685  31.84214       1.799433  3.054909       2.342530  
1 1 1 1   6  52 o 78.74335 1.339067  62.44817       2.108742  63.23191       2.999501  61.68226       2.965217  0.9774246      2.678134  
1 1 1 1   6  53 f 44.04742 1.019613  19.48073       0.8977334 20.40046       1.281753  18.59512       1.257761  2.045650       2.039225  
1 1 1 1   6  54 o 54.57257 0.9489489 29.87929       0.9854925 30.02221       1.676243  29.80380       1.218280  0.1258316      1.897898  
1 1 1 1   6  55 o 30.08984 0.8046415 8.937134       0.4803132 10.43993       0.7357718 7.821133       0.6340529 4.337137       1.609283  
1 1 1 1   6  56 o 50.83138 0.8438807 26.00506       0.8506396 25.40324       1.281371  26.47926       1.137425  -1.081772      1.687761  
1 1 1 1   6  57 f 18.14379 1.240386  3.302659       0.4432807 3.428062       0.6952281 3.216753       0.5754175 0.5517426      2.480771  
1 1 1 1   6  58 o 40.07939 1.042048  16.17204       0.8352804 16.12482       1.177455  16.21988       1.185112  -0.1168289     2.084096  
1 1 1 1   6  59 o 28.09018 1.220224  7.900903       0.6751878 7.595068       0.8744602 8.352400       1.062489  -1.293966      2.440448  
1 1 1 1   6  60 o 21.92264 1.511862  5.098062       0.6321761 5.954836       0.8295892 3.911505       0.9762798 4.713047       3.023724  
1 1 1 1   7  0  o 383.4680 3.983977  1470.752       30.51756  1434.032       41.94494  1512.051       44.48356  -10.13751      7.967954  
1 1 1 1   7  1  o 129.9866 1.382163  168.0536       3.576704  178.4474       5.376756  159.8035       4.790329  7.168678       2.764326  
1 1 1 1   7  2  o 358.7283 3.735499  1288.091       26.78841  1273.100       37.23979  1304.167       38.56396  -4.313324      7.470998  
1 1 1 1   7  3  o 326.4486 3.407688  1063.390       22.18745  1111.272       32.86935  1023.310       30.07245  13.44128       6.815375  
1 1 1 1   7  4  o 148.3308 1.567797  217.7203       4.609177  237.0111       7.112390  203.7530       6.051975  11.20561       3.135593  
1 1 1 1   7  5  o 328.9027 3.416850  1082.467       22.46994  1095.693       32.23236  1069.963       31.34097  3.902802       6.833700  
1 1 1 1   7  6  o 403.2140 4.210435  1608.039       33.57938  1503.323       43.79327  1757.450       52.31071  -31.42090      8.420871  
1 1 1 1   7  7  o 194.0769 2.031954  376.7270       7.886554  374.2894       11.07493  379.2347       11.23329  -1.273331      4.063908  
1 1 1 1   7  8  o 479.5020 4.986531  2270.653       47.26741  2107.492       61.50067  2506.123       73.88203  -41.44266      9.973062  
1 1 1 1   7  9  o 428.8845 4.458558  1838.650       38.19957  1788.773       52.51781  1894.682       55.66406  -12.32101      8.917115  
1 1 1 1   7  10 o 221.8242 2.316370  490.2662       10.24252  514.9110       15.24609  469.9936       13.82777  10.11858       4.632741  
1 1 1 1   7  11 o 221.1899 3.264450  487.9947       14.40250  509.4847       21.32282  469.9641       19.53131  8.922760       6.528900  
1 1 1 1   7  12 o 237.7141 2.480171  565.0731       11.78755  558.0579       16.42233  572.5283       16.92946  -3.041245      4.960342  
1 1 1 1   7  13 o 397.6956 4.128536  1579.698       32.77909  1529.494       44.77643  1637.673       48.11687  -13.57349      8.257072  
1 1 1 1   7  14 f 522.3931 5.429451  2725.085       56.58928  2619.320       76.87625  2850.175       83.60517  -22.02237      10.85890  
1 1 1 1   7  15 o 341.3354 3.555161  1165.974       24.26975  1168.936       34.42287  1163.046       34.22324  0.8612366      7.110323  
1 1 1 1   7  16 o 390.1580 4.050058  1522.552       31.57931  1556.919       45.73749  1491.242       43.65504  8.396759       8.100117  
1 1 1 1   7  17 o 386.8680 4.900429  1508.251       36.11972  1529.233       44.89441  1469.745       60.81916  7.891266       9.800858  
1 1 1 1   7  18 o 558.9639 11.62825  0.000000       0.000000  ?              ?         3141.971       129.9955  ?              ?         
1 1 1 1   7  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   7  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   7  21 o 222.2352 4.657404  0.000000       0.000000  ?              ?         494.5679       20.70078  ?              ?         
1 1 1 1   7  22 o 244.3014 3.151369  589.8493       14.21938  577.6779       17.01253  618.0598       25.90019  -8.122971      6.302739  
1 1 1 1   7  23 o 215.4821 2.256243  464.1585       9.713234  453.3897       13.37360  476.1814       14.13083  -5.278580      4.512487  
1 1 1 1   7  24 o 94.55511 1.045401  89.29613       1.974669  91.99197       2.877200  86.89558       2.715056  2.693764       2.090803  
1 1 1 1   7  25 f 264.9435 2.764275  703.1141       14.64688  706.5832       20.83095  699.7220       20.59865  1.289795       5.528549  
1 1 1 1   7  26 o 101.5032 1.113617  102.4447       2.250226  109.1992       3.384606  97.09408       3.012413  5.959656       2.227233  
1 1 1 1   7  27 o 410.8682 4.275413  1694.102       35.11544  1666.191       48.75825  1724.179       50.61528  -6.993622      8.550826  
1 1 1 1   7  28 o 29.31535 0.5956943 8.566223       0.3486807 9.163158       0.5105366 8.044367       0.4773524 1.908028       1.191389  
1 1 1 1   7  29 o 134.6875 1.441316  181.4205       3.881062  178.5408       5.399548  184.4985       5.582316  -2.209213      2.882631  
1 1 1 1   7  30 o 39.41949 0.6280614 15.52835       0.4949041 14.86337       0.6899198 16.23324       0.7103265 -1.737423      1.256123  
1 1 1 1   7  31 o 87.79765 0.9978487 77.08105       1.751531  78.07319       2.517506  76.15025       2.438461  1.094215       1.995697  
1 1 1 1   7  32 o 69.35861 0.8333439 48.11793       1.155973  48.08743       1.629892  48.14879       1.639736  -0.4412842E-01 1.666688  
1 1 1 1   7  33 o 85.22171 0.9700992 72.11536       1.644623  67.73329       2.192507  77.75325       2.486907  -5.874397      1.940198  
1 1 1 1   7  34 o 84.74365 0.9664263 71.79646       1.637201  70.27264       2.273232  73.43868       2.359902  -1.866592      1.932853  
1 1 1 1   7  35 o 41.87162 0.6522052 17.13946       0.5399215 14.72264       0.7037686 20.59690       0.8417535 -7.012707      1.304410  
1 1 1 1   7  36 o 147.0951 1.570980  216.5656       4.618507  221.2265       6.681158  212.3000       6.391573  3.023132       3.141961  
1 1 1 1   7  37 o 50.52849 0.6928909 25.53785       0.7001452 25.04717       0.9839049 26.04119       0.9965252 -0.9833641     1.385782  
1 1 1 1   7  38 o 71.90321 0.8563035 51.73669       1.231412  51.47958       1.739078  51.99524       1.743890  -0.3584366     1.712607  
1 1 1 1   7  39 o 54.36175 0.7227250 29.55170       0.7854273 30.15036       1.131285  28.99459       1.091317  1.061871       1.445450  
1 1 1 1   7  40 o 44.04517 0.6694462 19.05052       0.5836563 22.05159       0.9081572 16.93869       0.7618211 5.799694       1.338892  
1 1 1 1   7  41 o 88.85524 1.016163  79.06744       1.805826  78.91092       2.551985  79.22442       2.555666  -0.1762238     2.032326  
1 1 1 1   7  42 o 77.43324 0.9149157 59.48216       1.407331  64.68436       2.146759  55.56154       1.863663  5.876694       1.829831  
1 1 1 1   7  43 o 26.36706 0.6914594 6.960855       0.3642378 6.890199       0.5260769 7.025911       0.5048017 -0.2582397     1.382919  
1 1 1 1   7  44 o 65.14258 0.8189668 42.48743       1.066830  42.74633       1.523968  42.23866       1.493931  0.3879318      1.637934  
1 1 1 1   7  45 o 23.57403 1.146684  5.642811       0.5336344 4.968326       0.7888613 6.211846       0.7245763 -2.642973      2.293367  
1 1 1 1   7  46 o 28.67022 0.6985863 8.238955       0.4000861 7.964150       0.5736911 8.499157       0.5582396 -0.9339561     1.397173  
1 1 1 1   7  47 o 66.61116 0.8415913 44.39672       1.120341  42.88177       1.548168  46.06227       1.623305  -2.381149      1.683183  
1 1 1 1   7  48 o 26.43796 1.012924  6.170312       0.4658162 8.792690       0.9941989 5.432716       0.5272722 6.304192       2.025848  
1 1 1 1   7  49 o 48.16328 1.083069  22.82174       1.028325  26.01129       1.630187  20.71382       1.325256  5.460926       2.166138  
1 1 1 1   7  50 o 58.49878 0.8012925 34.28482       0.9372662 33.38940       1.309507  35.22534       1.342082  -1.565845      1.602585  
1 1 1 1   7  51 o 7.881544 1.619012  0.6412020      0.2859010 0.3320388      0.4289310 0.8883675      0.3835195 -2.645857      3.238024  
1 1 1 1   7  52 o 75.69952 0.9351698 57.43776       1.414873  55.49006       1.957541  59.56825       2.047344  -2.681412      1.870340  
1 1 1 1   7  53 o 46.30647 0.7585418 21.49798       0.7023769 21.49659       1.003008  21.49933       0.9838895 -0.5245209E-02 1.517084  
1 1 1 1   7  54 o 55.25724 0.9725480 30.72497       1.035176  30.85637       1.301259  30.49848       1.708413  0.3928070      1.945096  
1 1 1 1   7  55 o 7.971560 1.952095  0.4771329      0.4188122 -0.2724460E-01 0.5899529 0.9895823      0.5946549 -3.573053      3.904190  
1 1 1 1   7  56 o 35.97746 0.9484842 13.11251       0.6693353 12.44520       1.039749  13.58475       0.8746754 -1.614468      1.896968  
1 1 1 1   7  57 o 39.56945 1.030747  15.74694       0.8153756 15.23041       1.134266  16.29928       1.172936  -1.341911      2.061494  
1 1 1 1   7  58 o 20.41982 1.260634  4.217245       0.5123951 3.710362       0.7178968 4.743618       0.7315689 -2.526213      2.521269  
1 1 1 1   7  59 f 37.72028 1.044489  14.31891       0.7874932 13.80097       1.091477  14.88125       1.137303  -1.420216      2.088977  
1 1 1 1   7  60 o 65.70673 1.818096  0.000000       0.000000  ?              ?         43.66660       2.389222  ?              ?         
1 1 1 1   8  0  o 66.91402 0.7716926 43.37630       1.009511  38.60868       1.274570  51.40176       1.653664  -9.558609      1.543385  
1 1 1 1   8  1  o 290.7494 3.034388  836.8396       17.46631  907.3763       27.07702  786.5730       22.85772  20.74289       6.068776  
1 1 1 1   8  2  o 178.3035 1.874784  317.8729       6.683180  322.3365       9.606263  313.6859       9.303876  2.424469       3.749567  
1 1 1 1   8  3  o 531.1855 5.514225  2810.239       58.27958  2672.051       77.84314  2986.487       87.91185  -29.47186      11.02845  
1 1 1 1   8  4  o 281.2237 2.925056  790.7889       16.44312  805.3895       23.72151  777.2852       22.81323  4.991150       5.850111  
1 1 1 1   8  5  o 143.8620 1.523701  206.2175       4.370657  216.4604       6.493025  197.7311       5.910102  6.507706       3.047402  
1 1 1 1   8  6  o 309.7035 3.219497  959.6731       19.94131  962.4316       28.31609  956.9588       28.08783  0.8821716      6.438995  
1 1 1 1   8  7  o 214.0033 2.236350  458.0547       9.570965  460.9355       13.63756  455.2587       13.43548  1.325531       4.472701  
1 1 1 1   8  8  o 327.0085 3.399979  1069.951       22.23597  1065.008       31.32200  1074.973       31.57230  -1.522003      6.799958  
1 1 1 1   8  9  f 228.3559 2.755490  520.2880       12.55636  502.3019       17.08524  541.4117       18.51563  -8.555984      5.510981  
1 1 1 1   8  10 o 230.4601 2.406012  531.1431       11.08720  537.5579       15.88609  525.0512       15.48110  2.711517       4.812023  
1 1 1 1   8  11 f 181.9515 1.910739  330.9387       6.949792  325.3910       9.648401  336.9207       10.01905  -3.166946      3.821479  
1 1 1 1   8  12 o 310.1412 3.224876  960.6685       19.97050  991.8681       29.25843  933.4546       27.32564  9.404816       6.449752  
1 1 1 1   8  13 o 126.8020 1.355503  160.5295       3.432674  165.7009       5.018319  155.9822       4.705804  3.831375       2.711006  
1 1 1 1   8  14 o 467.8816 4.859893  2190.742       45.44849  2148.768       62.95012  2236.441       65.68480  -9.339539      9.719786  
1 1 1 1   8  15 o 251.2162 3.200046  633.7441       15.24536  624.5859       26.00229  638.5414       18.81939  -2.833298      6.400093  
1 1 1 1   8  16 f 253.9047 3.753482  643.9331       19.02289  667.2169       27.97008  623.8935       25.94840  8.510849       7.506964  
1 1 1 1   8  17 o 229.0079 3.386734  524.5574       15.50159  535.4658       22.41344  514.5549       21.46259  4.555862       6.773468  
1 1 1 1   8  18 o 233.0212 3.443903  543.3295       16.04288  534.7786       22.29329  552.5142       23.10456  -3.796021      6.887806  
1 1 1 1   8  19 f 114.8769 1.500325  134.0513       3.348025  141.6405       4.324641  122.6986       5.289367  8.250061       3.000650  
1 1 1 1   8  20 o 110.4648 1.471927  120.7857       3.029258  118.6269       3.652876  125.5395       5.420682  -3.117241      2.943855  
1 1 1 1   8  21 o 45.94340 0.8210183 20.59554       0.7434078 26.29275       1.149182  16.49561       0.9748672 10.66145       1.642037  
1 1 1 1   8  22 o 118.1217 1.801376  139.5931       4.255323  138.9355       5.976315  140.2693       6.060440  -0.5637283     3.602752  
1 1 1 1   8  23 o 120.3327 1.827980  144.6039       4.392258  140.1156       6.010349  149.7481       6.434502  -3.997223      3.655960  
1 1 1 1   8  24 o 65.48103 0.9960246 43.11773       1.297263  38.88507       1.865056  47.08483       1.805602  -6.261631      1.992049  
1 1 1 1   8  25 o 34.99857 0.7052103 12.67714       0.4763122 10.06124       0.7259304 14.65473       0.6311788 -6.562914      1.410421  
1 1 1 1   8  26 o 183.0969 1.927195  335.4590       7.056137  338.7715       10.08724  332.2851       9.873949  1.768097       3.854390  
1 1 1 1   8  27 f 196.9955 2.069450  388.3261       8.150755  382.8709       11.35343  394.1281       11.70859  -2.850861      4.138899  
1 1 1 1   8  28 f 151.8726 1.612967  230.3871       4.891684  238.0241       7.160977  223.7057       6.697979  4.707062       3.225933  
1 1 1 1   8  29 f 106.7063 1.167586  113.8923       2.491567  112.8429       3.496038  114.9755       3.551841  -0.9985809     2.335173  
1 1 1 1   8  30 o 132.0012 1.418340  173.5937       3.731270  165.8820       5.029523  183.0335       5.564576  -6.488342      2.836681  
1 1 1 1   8  31 o 100.9108 1.115376  101.8197       2.250201  100.0507       3.129949  103.7121       3.237293  -1.812729      2.230752  
1 1 1 1   8  32 o 204.5877 2.151274  418.4255       8.786166  433.8069       12.90471  405.1340       11.99603  6.979431       4.302548  
1 1 1 1   8  33 o 150.0088 1.598710  225.2166       4.795162  222.2437       6.690058  228.3576       6.876554  -2.033020      3.197420  
1 1 1 1   8  34 o 120.1581 1.303674  144.4654       3.132022  146.4379       4.494874  142.6038       4.366607  1.592178       2.607347  
1 1 1 1   8  35 o 120.8751 1.312003  146.0011       3.166871  150.9249       4.635699  141.6924       4.336521  3.809929       2.624006  
1 1 1 1   8  36 o 97.46097 1.086834  95.05244       2.118059  96.12105       3.031635  94.03347       2.960411  1.068840       2.173667  
1 1 1 1   8  37 o 62.17970 0.7784142 37.97886       0.9561070 43.16527       1.502589  34.45028       1.239385  7.001144       1.556828  
1 1 1 1   8  38 o 58.55356 0.7529474 34.28827       0.8813714 34.84861       1.268971  33.76602       1.225082  0.9232407      1.505895  
1 1 1 1   8  39 o 49.23848 0.6938978 24.01859       0.6790661 26.40060       1.033309  22.20781       0.9009324 4.253563       1.387796  
1 1 1 1   8  40 f 35.14245 0.6469204 12.35108       0.4543771 12.50543       0.6564991 12.20915       0.6295218 0.4207191      1.293841  
1 1 1 1   8  41 o 122.3857 1.883966  150.1231       4.600545  156.8974       6.792980  144.3832       6.252838  5.058983       3.767932  
1 1 1 1   8  42 f 35.55211 0.6536827 12.60326       0.4637793 13.31865       0.6841358 11.99493       0.6308641 1.859692       1.307365  
1 1 1 1   8  43 o 28.01253 0.6783965 7.758098       0.3777462 8.910595       0.5714600 6.863723       0.5034142 3.650417       1.356793  
1 1 1 1   8  44 o 37.11807 0.6695647 13.50707       0.4918173 15.96776       0.7647352 11.77146       0.6422566 5.646870       1.339129  
1 1 1 1   8  45 o 71.17911 1.258150  50.82571       1.789617  51.40148       2.589884  50.29957       2.475773  0.7623749      2.516299  
1 1 1 1   8  46 o 92.81181 1.314877  87.16008       2.308553  84.51807       3.939203  88.54214       2.849087  -2.294922      2.629754  
1 1 1 1   8  47 o 16.82978 1.521196  2.786663       0.5056724 3.470464       0.7811082 2.293326       0.6634650 3.478704       3.042392  
1 1 1 1   8  48 o 39.06049 0.7045409 15.23565       0.5492885 13.96387       0.7561039 16.65695       0.7993189 -3.443966      1.409082  
1 1 1 1   8  49 f 22.15984 0.8195208 4.931955       0.3615516 4.808867       0.5337807 5.036299       0.4914597 -0.5173759     1.639042  
1 1 1 1   8  50 o 52.50885 0.7665129 27.57493       0.8041200 26.10937       1.108958  29.19990       1.167710  -2.936844      1.533026  
1 1 1 1   8  51 o 50.61942 0.7590002 25.64838       0.7675633 26.36028       1.117222  25.01196       1.056332  1.325363       1.518000  
1 1 1 1   8  52 o 40.39748 0.7355359 16.33778       0.5935809 16.72042       0.8643454 15.99626       0.8165891 0.8911095      1.471072  
1 1 1 1   8  53 o 8.531079 1.749979  0.7520001      0.3149507 0.7719621      0.4680215 0.7354787      0.4257836 0.2312908      3.499958  
1 1 1 1   8  54 o 34.24341 0.7623051 11.72289       0.5208310 12.27840       0.7694081 11.25305       0.7076001 1.488838       1.524610  
1 1 1 1   8  55 o 43.63743 0.8172174 18.99603       0.7034301 19.77807       1.098598  18.45261       0.9157734 1.490852       1.634435  
1 1 1 1   8  56 o 51.05776 1.083578  26.24096       1.106158  27.13312       1.572158  25.36632       1.556645  1.726830       2.167156  
1 1 1 1   8  57 o 22.00920 1.209257  4.883077       0.5318680 5.164572       0.7656018 4.620498       0.7394307 1.228952       2.418513  
1 1 1 1   8  58 o 43.23936 1.055377  18.82807       0.9125393 18.64664       1.277337  19.01719       1.304131  -0.4220123     2.110753  
1 1 1 1   8  59 o 10.23411 2.134926  1.102810       0.4676333 1.182086       0.6489682 1.017191       0.6744335 0.6376209      4.269853  
1 1 1 1   8  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   9  0  o 470.3417 4.913617  2042.115       43.02229  1780.034       50.90115  2697.632       80.50117  -97.27576      9.827233  
1 1 1 1   9  1  o 316.3928 3.288353  1001.552       20.80737  995.6764       29.26568  1007.557       29.58913  -1.875580      6.576706  
1 1 1 1   9  2  f 367.4288 3.831699  1349.940       28.14173  1318.966       39.00927  1383.554       40.63748  -8.777740      7.663399  
1 1 1 1   9  3  f 243.6106 2.546524  593.5981       12.40613  589.2412       17.40837  598.0945       17.68474  -1.815796      5.093048  
1 1 1 1   9  4  f 224.9577 2.353095  505.7315       10.57764  495.6151       14.60083  516.9055       15.34498  -4.728897      4.706190  
1 1 1 1   9  5  o 248.4129 2.593721  616.7676       12.87584  629.9926       18.66013  604.7480       17.78944  5.076996       5.187441  
1 1 1 1   9  6  o 247.7903 2.581430  613.5825       12.78170  600.0640       17.63717  628.5358       18.54944  -5.740738      5.162859  
1 1 1 1   9  7  o 468.3797 6.211977  2202.675       57.99574  1989.931       81.85079  2417.171       82.18697  -45.60443      12.42395  
1 1 1 1   9  8  f 399.8236 4.149423  1599.632       33.17283  1579.571       46.30899  1620.776       47.54225  -5.142975      8.298845  
1 1 1 1   9  9  o 397.1602 4.138865  1576.239       32.82312  1623.015       48.05517  1535.332       44.93914  11.01331       8.277730  
1 1 1 1   9  10 o 235.4327 2.457748  554.2068       11.56775  563.1649       16.65201  545.8521       16.08143  3.673996       4.915496  
1 1 1 1   9  11 o 226.2563 2.363562  511.8243       10.69038  520.1571       15.40163  504.0773       14.85040  3.550751       4.727125  
1 1 1 1   9  12 o 383.7515 4.897060  1466.791       35.12630  1497.423       62.19443  1452.443       42.56495  5.652832       9.794120  
1 1 1 1   9  13 o 433.6149 6.369046  1884.945       55.22371  1905.843       79.02783  1865.002       77.20045  4.681580       12.73809  
1 1 1 1   9  14 o 278.7289 4.108618  777.8552       22.90341  779.6155       32.50119  776.1187       32.28056  0.6249390      8.217236  
1 1 1 1   9  15 o 165.2183 2.466857  273.0961       8.151111  274.0923       11.58413  272.1192       11.47152  0.5963287      4.933714  
1 1 1 1   9  16 o 30.49176 0.5660313 9.251479       0.3443258 10.06483       0.5081617 8.561047       0.4681909 2.465822       1.132063  
1 1 1 1   9  17 f 363.2428 3.774299  1320.592       27.40641  1298.246       38.05405  1344.673       39.50362  -6.371063      7.548599  
1 1 1 1   9  18 o 120.0923 1.294252  144.1313       3.106394  141.2971       4.297554  147.2325       4.495325  -2.470154      2.588504  
1 1 1 1   9  19 o 138.5348 1.475987  191.8097       4.086674  187.8176       5.654200  196.1762       5.913369  -3.014999      2.951974  
1 1 1 1   9  20 o 334.9052 3.485797  1122.817       23.33352  1145.350       33.72094  1102.117       32.32072  6.428894       6.971593  
1 1 1 1   9  21 o 223.1854 2.333853  498.5144       10.41669  494.7680       14.61393  502.3838       14.85182  -1.702896      4.667706  
1 1 1 1   9  22 o 199.5201 2.096556  397.8087       8.356029  410.3237       12.18301  386.6914       11.48250  5.912292       4.193111  
1 1 1 1   9  23 o 185.8387 1.955031  345.6259       7.265957  343.4781       10.20758  347.8319       10.34503  -1.169296      3.910063  
1 1 1 1   9  24 o 263.4039 3.373186  694.2107       16.69844  691.5432       20.36840  699.6786       29.16149  -1.310333      6.746372  
1 1 1 1   9  25 o 130.4017 1.973421  170.0462       5.143284  173.9931       7.440228  166.4339       7.117879  2.893463       3.946842  
1 1 1 1   9  26 o 228.1071 3.377243  521.2167       15.39319  533.9445       22.35062  509.7322       21.23102  5.274780       6.754486  
1 1 1 1   9  27 o 56.76564 1.001007  32.23047       1.136424  32.39275       1.614536  32.07113       1.599856  0.2831497      2.002014  
1 1 1 1   9  28 o 162.9528 2.121174  263.8963       6.445003  271.3166       11.48421  260.4849       7.786863  3.246765       4.242348  
1 1 1 1   9  29 o 135.4897 1.452665  182.1377       3.909473  171.2676       5.177597  196.5550       5.962848  -9.319473      2.905329  
1 1 1 1   9  30 o 74.26778 0.8724405 55.16306       1.295787  54.49371       1.819121  55.85250       1.846218  -0.9145050     1.744881  
1 1 1 1   9  31 o 40.73822 0.6441510 16.53451       0.5236130 17.53628       0.7734296 15.68687       0.7114486 2.269314       1.288302  
1 1 1 1   9  32 o 42.90198 0.6643228 18.36346       0.5692070 17.12128       0.7845075 19.74433       0.8271440 -3.056583      1.328646  
1 1 1 1   9  33 f 111.7188 1.221610  124.3183       2.719129  131.3801       4.064346  118.5966       3.658459  5.712288       2.443220  
1 1 1 1   9  34 o 70.57515 0.8443424 49.53630       1.186809  52.96355       1.780070  46.79370       1.592375  4.367592       1.688685  
1 1 1 1   9  35 o 121.6958 1.320591  148.2843       3.214155  147.6686       4.529798  148.9086       4.561370  -0.5083923     2.641181  
1 1 1 1   9  36 o 32.16636 0.6276498 10.31733       0.4030617 10.91224       0.5920395 9.803385       0.5502793 1.722795       1.255300  
1 1 1 1   9  37 o 83.05277 0.9546886 69.02507       1.585606  68.14433       2.221705  69.93937       2.263654  -1.079285      1.909377  
1 1 1 1   9  38 o 92.12190 1.041307  84.67944       1.913734  81.04787       2.597219  88.99325       2.830684  -4.302193      2.082614  
1 1 1 1   9  39 f 80.07466 0.9344656 64.18823       1.496494  63.60521       2.106936  64.78181       2.125918  -0.7338638     1.868931  
1 1 1 1   9  40 f 85.18068 1.373700  72.51690       2.334662  76.05543       3.449272  69.52515       3.171600  3.813881       2.747401  
1 1 1 1   9  41 o 27.35516 0.6728117 7.503078       0.3673296 7.030823       0.5237877 7.960120       0.5152818 -1.698891      1.345623  
1 1 1 1   9  42 o 79.60620 0.9361227 63.37805       1.489166  61.34716       2.054966  65.62400       2.161033  -2.680183      1.872245  
1 1 1 1   9  43 o 27.81300 0.6934035 7.687151       0.3842955 8.465724       0.5734762 7.052566       0.5177397 2.537745       1.386807  
1 1 1 1   9  44 o 82.76861 1.206240  68.90520       1.874302  68.17857       3.264788  69.26243       2.289118  -0.7423401     2.412480  
1 1 1 1   9  45 o 26.02396 1.141394  6.873032       0.5869492 6.070083       0.8651831 7.557690       0.7989150 -2.864534      2.282787  
1 1 1 1   9  46 o 74.35242 0.9048595 55.35486       1.344517  56.69377       1.948317  54.13750       1.857780  1.710999       1.809719  
1 1 1 1   9  47 o 29.30727 0.7128077 8.595984       0.4161898 7.603553       0.5782977 9.662290       0.5994339 -3.510744      1.425615  
1 1 1 1   9  48 o 60.82351 0.8058566 37.01381       0.9790214 38.19505       1.429128  35.96928       1.343891  1.821720       1.611713  
1 1 1 1   9  49 o 34.60167 0.7145779 11.97673       0.4938976 12.34256       0.7203591 11.65221       0.6784744 0.9937325      1.429156  
1 1 1 1   9  50 o 66.53703 0.8592709 44.29576       1.141311  45.98262       1.677015  42.84040       1.557696  2.347305       1.718542  
1 1 1 1   9  51 o 53.61462 0.7796517 28.71612       0.8339115 30.19511       1.233606  27.47151       1.131638  2.528412       1.559303  
1 1 1 1   9  52 o 30.54589 0.7529596 9.371625       0.4591031 8.911607       0.6586581 9.806317       0.6402718 -1.466673      1.505919  
1 1 1 1   9  53 o 9.590335 1.666769  0.9900609      0.3213203 0.7349354      0.4815353 1.194842       0.4314157 -2.209270      3.333539  
1 1 1 1   9  54 o 41.59059 0.7945752 17.43591       0.6561626 16.56072       0.9740482 18.16305       0.8878397 -1.938465      1.589150  
1 1 1 1   9  55 o 74.71962 1.193399  56.27109       1.755319  56.26722       2.734809  56.27380       2.289042  -0.1081467     2.386798  
1 1 1 1   9  56 o 28.59194 1.053323  8.216542       0.6017778 8.522008       0.8742836 7.941528       0.8295611 1.005157       2.106646  
1 1 1 1   9  57 o 71.02104 1.276920  50.85580       1.811807  53.06178       2.638279  48.88689       2.492496  2.898140       2.553841  
1 1 1 1   9  58 o 27.30527 1.137024  7.527406       0.6199273 8.037560       0.8783177 7.020969       0.8751105 1.860661       2.274048  
1 1 1 1   9  59 o 33.20967 1.085168  11.11267       0.7201213 11.26133       1.043451  10.97747       0.9950803 0.4145050      2.170336  
1 1 1 1   10 0  o 306.8097 3.192800  941.2817       19.58170  958.5267       28.23615  925.3030       27.17948  5.407898       6.385601  
1 1 1 1   10 1  o 281.2636 2.925924  790.4388       16.44085  812.0826       23.93469  771.1031       22.62250  7.277527       5.851848  
1 1 1 1   10 2  o 326.3330 3.395932  1065.428       22.16089  1075.305       31.66280  1055.944       31.02734  2.962158       6.791864  
1 1 1 1   10 3  o 285.4247 2.969123  814.8839       16.94580  823.7078       24.25665  806.4720       23.68360  3.015991       5.938245  
1 1 1 1   10 4  o 484.5260 5.843756  2246.293       54.29512  2008.690       66.46960  2722.705       94.12142  -73.36517      11.68751  
1 1 1 1   10 5  o 276.5773 4.069895  765.4286       22.50713  775.1913       32.26660  756.1772       31.41044  3.430573       8.139791  
1 1 1 1   10 6  o 395.0058 4.099989  1561.416       32.38411  1545.132       45.26880  1578.486       46.34631  -4.213196      8.199978  
1 1 1 1   10 7  o 282.2458 2.940190  792.4304       16.51326  840.8126       24.89040  754.3924       22.06976  15.29279       5.880381  
1 1 1 1   10 8  o 239.0074 3.071221  566.5856       13.66000  585.0646       24.45799  558.2083       16.46778  5.568939       6.142441  
1 1 1 1   10 9  o 204.6091 3.035874  416.8835       12.37472  440.5624       18.50976  397.7465       16.64014  10.45079       6.071748  
1 1 1 1   10 10 o 227.1341 3.359417  515.2221       15.23355  532.9986       22.35427  499.8095       20.81498  7.294403       6.718833  
1 1 1 1   10 11 o 93.91008 1.468146  87.86338       2.749347  84.03404       3.719597  92.47513       4.081943  -4.492943      2.936292  
1 1 1 1   10 12 o 330.0337 4.198735  1091.791       26.17156  1094.144       32.12537  1087.148       45.12920  1.200684       8.397470  
1 1 1 1   10 13 o 187.5699 2.274514  351.8705       8.530537  356.2700       12.22625  347.6971       11.90804  2.283188       4.549027  
1 1 1 1   10 14 f 222.8543 2.330363  496.5383       10.38023  506.0058       14.99625  487.8297       14.38269  4.073593       4.660726  
1 1 1 1   10 15 o 461.6645 4.797855  2134.966       44.28124  2098.959       61.55334  2173.589       63.75071  -8.046448      9.595711  
1 1 1 1   10 16 o 451.6323 4.690147  2041.534       42.30996  1987.217       58.09838  2102.870       61.73797  -12.73776      9.380294  
1 1 1 1   10 17 o 207.6814 2.176548  431.4581       9.038560  426.6328       12.62439  436.5329       12.94661  -2.380432      4.353096  
1 1 1 1   10 18 o 104.3870 1.139479  108.7644       2.375235  105.2409       3.251330  112.7969       3.478326  -3.617950      2.278958  
1 1 1 1   10 19 o 252.8539 2.637594  639.6943       13.33236  650.6743       19.20669  629.4837       18.52158  4.180450       5.275188  
1 1 1 1   10 20 o 257.0669 2.684159  661.6271       13.79950  658.5891       19.40325  664.7365       19.62959  -1.191956      5.368317  
1 1 1 1   10 21 f 221.5623 2.318440  490.6667       10.26003  477.5536       14.08375  505.4963       14.97716  -6.291214      4.636881  
1 1 1 1   10 22 o 119.4038 1.288641  142.6249       3.077361  142.2693       4.344607  142.9831       4.359524  -0.2987595     2.577282  
1 1 1 1   10 23 o 281.8621 2.938612  795.1335       16.54996  777.1793       22.81919  815.0582       24.03877  -6.690887      5.877223  
1 1 1 1   10 24 o 53.18344 0.6962379 28.18634       0.7391784 26.57902       1.008788  30.04985       1.086212  -3.262657      1.392476  
1 1 1 1   10 25 o 176.8639 1.865035  312.9516       6.594930  317.5377       9.474641  308.6413       9.185366  2.510406       3.730071  
1 1 1 1   10 26 o 54.41348 0.7081754 29.40720       0.7677199 27.30331       1.031972  32.01463       1.148848  -4.328430      1.416351  
1 1 1 1   10 27 o 112.1100 1.504377  123.5642       3.108213  120.2516       3.707013  131.4062       5.703662  -4.945465      3.008754  
1 1 1 1   10 28 o 217.7635 3.231329  475.7000       14.07271  478.1484       20.01225  473.3049       19.79319  1.104431       6.462657  
1 1 1 1   10 29 o 43.61961 0.8828196 18.98805       0.7691635 19.89274       1.123327  18.18950       1.055373  1.951683       1.765639  
1 1 1 1   10 30 o 89.75908 1.419414  80.60325       2.547463  81.69647       3.652348  79.56756       3.554941  1.184052       2.838829  
1 1 1 1   10 31 o 48.48339 0.8182497 23.60179       0.7577816 23.21314       1.272158  23.81553       0.9434159 -0.6254044     1.636499  
1 1 1 1   10 32 f 230.4559 2.417997  531.0397       11.11587  553.8259       16.44356  511.8641       15.08464  9.046555       4.835995  
1 1 1 1   10 33 o 51.34037 0.7014587 26.28790       0.7187506 27.53555       1.059013  25.22238       0.9786684 2.251553       1.402917  
1 1 1 1   10 34 o 39.30696 0.6478911 15.13669       0.5040604 12.97153       0.6605260 18.15570       0.7799688 -6.592548      1.295782  
1 1 1 1   10 35 o 22.95394 0.7141869 5.224117       0.3165631 3.544756       0.4240289 7.338651       0.4758071 -8.263062      1.428374  
1 1 1 1   10 36 o 81.11971 0.9412971 65.55280       1.522219  62.24801       2.054661  69.57369       2.266360  -4.508614      1.882594  
1 1 1 1   10 37 o 35.91283 0.6442652 12.74520       0.4597938 11.11817       0.6140788 14.82127       0.6936637 -5.153652      1.288530  
1 1 1 1   10 38 o 86.00188 0.9875216 73.99119       1.697609  72.23458       2.352846  75.89862       2.451773  -2.125801      1.975043  
1 1 1 1   10 39 o 40.72202 0.6630120 16.58637       0.5397576 16.80653       0.7766035 16.38065       0.7507193 0.5220795      1.326024  
1 1 1 1   10 40 o 62.85172 0.7957109 39.53579       1.000072  39.83195       1.429389  39.25179       1.399710  0.4602623      1.591422  
1 1 1 1   10 41 o 122.2744 1.336303  149.8859       3.266984  147.4854       4.554615  152.4299       4.688731  -2.011497      2.672605  
1 1 1 1   10 42 o 110.0397 1.741922  120.7618       3.809883  112.9994       5.058248  130.9395       5.791953  -8.063622      3.483845  
1 1 1 1   10 43 o 64.56474 1.188383  41.43710       1.524211  44.88069       2.324147  38.83831       2.019033  4.653481       2.376765  
1 1 1 1   10 44 o 69.35669 0.8587264 47.84846       1.185192  51.46986       1.788176  45.01120       1.582784  4.641556       1.717453  
1 1 1 1   10 45 o 21.43708 0.8028200 4.512527       0.3376899 5.955128       0.5150477 3.424808       0.4472319 5.896795       1.605640  
1 1 1 1   10 46 o 35.97256 0.6904801 12.94772       0.4958999 11.91593       0.6908341 14.04454       0.7122740 -2.957127      1.380960  
1 1 1 1   10 47 o 20.27439 0.8393821 4.132913       0.3392218 3.887632       0.4902434 4.358229       0.4698690 -1.162464      1.678764  
1 1 1 1   10 48 o 44.55213 0.7229366 19.84280       0.6430850 20.57920       0.9429526 19.20246       0.8792993 1.539459       1.445873  
1 1 1 1   10 49 o 42.89554 0.7205559 18.36349       0.6165136 19.40684       0.9135904 17.49106       0.8354095 2.225525       1.441112  
1 1 1 1   10 50 o 45.45058 0.7393616 20.69159       0.6716973 19.71743       0.9392909 21.71115       0.9609255 -2.191040      1.478723  
1 1 1 1   10 51 f 74.47696 0.9263269 55.49155       1.377343  52.77898       1.880509  58.63076       2.023001  -3.909157      1.852654  
1 1 1 1   10 52 o 31.38103 0.7537162 9.736160       0.4697074 11.20665       0.7161565 8.626077       0.6222348 4.099819       1.507432  
1 1 1 1   10 53 f 51.05613 0.7811333 26.12947       0.7970755 24.78499       1.113093  27.54452       1.141930  -2.698467      1.562267  
1 1 1 1   10 54 o 55.56506 0.9557772 30.90250       1.012203  31.41973       1.720928  30.62892       1.251588  0.6292305      1.911554  
1 1 1 1   10 55 o 7.984660 1.919312  0.4753748      0.4063668 1.038355       0.5931028 -0.2274317E-01 0.5578910 3.929493       3.838623  
1 1 1 1   10 56 o 46.25897 1.045387  21.51691       0.9664981 22.50163       1.396957  20.61278       1.338581  2.027950       2.090775  
1 1 1 1   10 57 o 47.33811 1.056151  22.53148       0.9990757 23.68028       1.447307  21.48576       1.380848  2.301971       2.112302  
1 1 1 1   10 58 o 38.76563 1.314335  15.31502       0.9495865 14.92383       1.668551  15.50241       1.154846  -0.9128036     2.628669  
1 1 1 1   10 59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   11 0  o 543.3251 8.020096  2833.858       83.85539  2525.907       103.1241  3434.888       144.0682  -82.98761      16.04019  
1 1 1 1   11 1  o 399.9534 5.874342  1602.772       46.98922  1604.823       66.50404  1600.727       66.40166  0.5108032      11.74868  
1 1 1 1   11 2  o 505.8203 5.253696  2500.694       52.00486  2284.944       65.92228  2856.216       84.62329  -56.27048      10.50739  
1 1 1 1   11 3  o 263.2981 2.741960  692.5692       14.42148  712.6873       21.02518  674.6944       19.81837  7.208069       5.483920  
1 1 1 1   11 4  o 283.9167 2.955660  803.1926       16.72307  843.9148       24.94224  769.9373       22.53981  13.01324       5.911320  
1 1 1 1   11 5  o 360.0449 4.562403  1304.326       31.24692  1277.125       52.86243  1318.935       38.73909  -5.941650      9.124806  
1 1 1 1   11 6  o 333.1118 4.900049  1111.277       32.64454  1114.099       46.34741  1108.499       45.98738  0.8367310      9.800098  
1 1 1 1   11 7  o 387.5374 5.693738  1501.848       44.05019  1555.293       64.67360  1455.598       60.16338  12.80325       11.38748  
1 1 1 1   11 8  o 360.8811 5.305758  1304.844       38.29414  1309.656       54.36897  1300.106       53.94569  1.317688       10.61152  
1 1 1 1   11 9  o 434.6223 5.486476  1909.781       45.71087  1953.759       57.37767  1833.379       75.62777  14.10327       10.97295  
1 1 1 1   11 10 o 295.0812 3.069403  871.2977       18.11333  877.0165       25.79002  865.7307       25.44569  1.909424       6.138807  
1 1 1 1   11 11 o 152.7892 1.621870  233.3371       4.952674  237.5595       7.162273  229.4681       6.856036  2.646439       3.243741  
1 1 1 1   11 12 o 299.3684 4.408794  896.7145       26.37031  920.1556       38.33939  875.6680       36.32833  7.402161       8.817588  
1 1 1 1   11 13 o 457.1428 4.753596  2092.512       43.42392  2138.333       62.98079  2050.992       59.95248  9.502991       9.507193  
1 1 1 1   11 14 o 232.0781 2.430173  538.5178       11.27177  528.2015       15.59383  549.8059       16.31176  -4.647827      4.860345  
1 1 1 1   11 15 o 356.1082 3.702286  1268.033       26.32710  1307.910       38.53588  1233.131       36.05236  10.45996       7.404571  
1 1 1 1   11 16 o 126.5624 1.357611  159.9085       3.431007  165.5108       5.025055  155.0159       4.695994  4.144005       2.715223  
1 1 1 1   11 17 f 138.6610 1.478603  192.0658       4.095629  197.5171       5.968460  187.2144       5.630493  3.712463       2.957206  
1 1 1 1   11 18 o 170.9299 1.802791  292.2793       6.162130  294.9383       8.804092  289.7258       8.627720  1.522934       3.605583  
1 1 1 1   11 19 o 245.0914 2.560120  600.6697       12.53571  586.0707       17.25504  616.9875       18.24248  -6.290573      5.120239  
1 1 1 1   11 20 o 422.7259 4.399130  1794.288       37.19238  1796.438       52.68348  1792.152       52.51287  0.5012817      8.798261  
1 1 1 1   11 21 o 83.15626 0.9530622 69.04962       1.583254  66.88929       2.176666  71.47670       2.307145  -2.757309      1.906124  
1 1 1 1   11 22 o 89.59447 1.014584  78.72363       1.791325  89.30236       2.842803  71.75713       2.306945  9.787201       2.029168  
1 1 1 1   11 23 o 232.0332 2.427495  539.1113       11.26518  538.6825       15.92187  539.5411       15.94089  -0.1846466     4.854990  
1 1 1 1   11 24 o 175.2654 1.849017  307.2841       6.478684  302.3303       9.007673  312.5931       9.325055  -2.922638      3.698034  
1 1 1 1   11 25 o 113.2623 1.231546  128.3275       2.789663  127.5023       3.925810  129.1693       3.964838  -0.7354507     2.463091  
1 1 1 1   11 26 o 232.5905 2.435987  540.0875       11.29972  519.3713       15.30683  564.8976       16.75108  -9.751480      4.871975  
1 1 1 1   11 27 o 254.7999 2.663931  650.3162       13.56939  661.1981       19.53998  640.1805       18.85820  4.104568       5.327862  
1 1 1 1   11 28 o 57.96364 0.7407992 33.58736       0.8583528 34.09703       1.237269  33.11446       1.191796  0.8471794      1.481598  
1 1 1 1   11 29 o 90.43492 1.019120  81.56140       1.838598  85.25171       2.719147  78.45305       2.495557  3.755806       2.038240  
1 1 1 1   11 30 o 253.6691 2.655356  645.0464       13.46368  657.8066       19.44440  633.2938       18.66080  4.799042       5.310713  
1 1 1 1   11 31 f 194.6195 2.503038  381.9581       9.275001  386.6848       11.51569  373.2296       15.64871  3.633545       5.006076  
1 1 1 1   11 32 f 54.01061 0.9924788 29.16200       1.071488  28.41105       1.485201  29.97709       1.547332  -1.448437      1.984958  
1 1 1 1   11 33 f 151.6635 2.286249  230.6914       6.930921  235.2849       10.00477  226.4527       9.610703  2.889816       4.572497  
1 1 1 1   11 34 o 92.63008 1.474316  85.86926       2.728772  84.00074       3.763445  87.94054       3.962367  -2.117958      2.948632  
1 1 1 1   11 35 o 26.70574 0.7541893 6.875435       0.3835327 7.975726       0.6715051 6.342723       0.4672425 3.052238       1.508379  
1 1 1 1   11 36 o 52.84104 0.7170427 27.93584       0.7576345 28.00149       1.082920  27.87290       1.060350  0.1210632      1.434085  
1 1 1 1   11 37 o 68.38851 0.8380076 46.77434       1.145463  47.79253       1.656051  45.84039       1.586072  1.424622       1.676015  
1 1 1 1   11 38 o 71.01157 0.8602842 50.00200       1.214486  46.34463       1.613273  54.78577       1.845054  -5.933960      1.720568  
1 1 1 1   11 39 o 83.27268 0.9679610 69.44096       1.612045  69.36954       2.288075  69.51136       2.271567  -0.8599854E-01 1.935922  
1 1 1 1   11 40 o 40.81702 1.011390  16.54518       0.8204522 17.92247       1.247887  15.49650       1.088887  2.962727       2.022781  
1 1 1 1   11 41 o 102.0352 1.633193  104.5906       3.332189  102.7689       4.655443  106.5044       4.771554  -1.818024      3.266387  
1 1 1 1   11 42 o 39.98084 0.6739416 15.95891       0.5379998 14.74672       0.7420266 17.30238       0.7811753 -3.194260      1.347883  
1 1 1 1   11 43 o 29.20057 0.6999078 8.528607       0.4062895 7.313547       0.5625910 9.853059       0.5873699 -4.347019      1.399816  
1 1 1 1   11 44 o 33.41211 0.6885172 11.18764       0.4596194 10.85544       0.6586643 11.50292       0.6416689 -0.9699478     1.377034  
1 1 1 1   11 45 o 61.05005 0.8035814 37.23592       0.9797421 35.34875       1.342519  39.38615       1.433035  -3.299252      1.607163  
1 1 1 1   11 46 o 88.11824 1.027371  77.89674       1.810548  77.88658       2.570322  77.90677       2.550794  -0.1360321E-01 2.054742  
1 1 1 1   11 47 o 24.37000 0.7767561 5.987291       0.3752835 5.088902       0.5315579 6.880113       0.5299081 -3.675179      1.553512  
1 1 1 1   11 48 o 36.20691 0.7157912 13.14536       0.5176110 12.89270       0.7478034 13.37775       0.7171814 -0.6726837     1.431582  
1 1 1 1   11 49 o 89.76947 1.049113  80.89600       1.882719  81.94871       2.710287  79.91431       2.617281  1.119797       2.098226  
1 1 1 1   11 50 o 69.30336 0.8858079 48.04593       1.225840  45.71528       1.676996  50.72015       1.796353  -3.595406      1.771616  
1 1 1 1   11 51 o 83.35228 1.000876  69.44807       1.662034  73.47660       2.485639  66.19044       2.235198  4.331268       2.001752  
1 1 1 1   11 52 o 24.54663 0.8340768 6.001493       0.4078414 6.570029       0.6108339 5.544167       0.5478436 2.080387       1.668154  
1 1 1 1   11 53 f 48.51701 0.8276420 23.53296       0.7911233 24.12158       1.236567  23.12508       1.029353  0.9963684      1.655284  
1 1 1 1   11 54 o 42.76567 1.015116  18.29240       0.8658450 16.83870       1.175328  20.01759       1.280385  -3.695671      2.030232  
1 1 1 1   11 55 o 6.533535 1.885377  0.8547111E-01  0.4011193 0.4244866      0.6003094 -0.1879797     0.5391442 2.068507       3.770754  
1 1 1 1   11 56 o 16.71662 1.422098  2.798343       0.4726137 3.246499       0.7097941 2.441402       0.6334549 2.384161       2.844195  
1 1 1 1   11 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   11 58 o 41.87851 1.056745  17.60769       0.8834307 16.43101       1.207559  18.96268       1.295825  -2.999722      2.113489  
1 1 1 1   12 0  o 535.0032 5.569551  2792.863       58.26394  2536.038       73.69158  3221.125       95.15997  -63.73917      11.13910  
1 1 1 1   12 1  o 499.8206 6.378074  2494.218       59.66393  2536.114       105.2622  2474.386       72.42113  5.676971       12.75615  
1 1 1 1   12 2  o 432.3447 6.352229  1863.860       54.65646  1774.793       73.09516  1976.814       82.31552  -23.22021      12.70446  
1 1 1 1   12 3  o 636.1625 9.395412  3927.665       115.9032  3526.167       144.2825  4658.110       194.6104  -87.78589      18.79082  
1 1 1 1   12 4  o 225.9202 3.340916  509.8455       15.07143  527.0768       22.07497  494.8005       20.62706  7.130936       6.681832  
1 1 1 1   12 5  o 62.28510 0.9210891 38.92308       1.085098  39.18881       1.335435  38.40672       1.861546  0.6290855      1.842178  
1 1 1 1   12 6  o 279.0531 2.905789  778.5465       16.20540  795.7020       23.46349  762.8987       22.40867  5.869263       5.811578  
1 1 1 1   12 7  f 340.0095 3.535618  1157.173       24.04167  1152.176       33.80279  1162.289       34.20080  -1.483185      7.071235  
1 1 1 1   12 8  o 57.43694 0.8384515 32.68842       0.9574856 30.33221       1.272492  35.76351       1.453709  -4.727596      1.676903  
1 1 1 1   12 9  o 319.3125 4.700402  1013.708       29.81633  1087.497       45.41787  957.8200       39.52662  20.21783       9.400804  
1 1 1 1   12 10 o 115.4626 1.249531  132.6401       2.873084  140.5548       4.309589  126.3080       3.854674  6.167496       2.499061  
1 1 1 1   12 11 o 247.6965 2.584465  613.9438       12.80289  616.4880       18.18825  611.4451       18.02491  1.016418       5.168929  
1 1 1 1   12 12 o 228.0854 2.385045  517.7148       10.82850  548.7528       16.28701  493.1259       14.49653  12.17708       4.770090  
1 1 1 1   12 13 o 339.5211 3.530983  1154.388       23.97367  1163.710       34.23536  1145.420       33.58189  2.683258       7.061965  
1 1 1 1   12 14 o 215.0662 2.251510  461.8785       9.667139  447.5334       13.20680  478.4361       14.18876  -7.173752      4.503021  
1 1 1 1   12 15 o 274.8618 2.864553  756.3224       15.74549  762.2842       22.46133  750.5621       22.07858  2.126617       5.729105  
1 1 1 1   12 16 o 116.8868 1.264461  134.6332       2.920983  124.3717       3.796022  149.5291       4.573581  -10.75577      2.528921  
1 1 1 1   12 17 o 276.9141 2.887229  767.7138       15.98571  778.2260       22.93813  757.7871       22.29021  3.678497       5.774459  
1 1 1 1   12 18 o 204.9444 2.149720  419.2110       8.789887  436.9185       12.98590  404.2378       11.94125  7.956833       4.299440  
1 1 1 1   12 19 o 277.1728 2.890491  769.2969       16.01630  782.3470       23.06234  757.1392       22.25990  4.528839       5.780982  
1 1 1 1   12 20 o 82.60388 0.9453090 67.49316       1.549176  74.06954       2.380854  62.66437       2.040132  6.900955       1.890618  
1 1 1 1   12 21 o 155.4298 1.649040  241.6545       5.124915  238.5919       7.152149  244.8865       7.347237  -2.022400      3.298079  
1 1 1 1   12 22 o 160.9310 1.706241  259.1625       5.491684  259.7783       7.787180  258.5532       7.745816  0.3800659      3.412482  
1 1 1 1   12 23 f 174.6842 1.845456  303.4482       6.412497  287.8022       8.552256  323.5403       9.691493  -10.21045      3.690912  
1 1 1 1   12 24 o 292.1597 3.047349  855.6144       17.80486  849.9594       24.99427  861.4404       25.36968  -1.954071      6.094698  
1 1 1 1   12 25 f 227.2820 2.381935  515.9185       10.80053  537.8504       15.96133  497.3945       14.66889  8.868256       4.763869  
1 1 1 1   12 26 o 72.30600 0.8607340 52.22533       1.243398  53.70451       1.809329  50.90162       1.711599  1.937279       1.721468  
1 1 1 1   12 27 o 121.7024 1.317781  147.6573       3.197621  154.8290       4.751236  141.7195       4.323243  5.379158       2.635563  
1 1 1 1   12 28 o 190.4324 2.006968  363.1751       7.643059  365.8295       10.90134  360.6090       10.71881  1.365631       4.013936  
1 1 1 1   12 29 o 196.3871 2.069245  386.3425       8.126146  390.3621       11.61809  382.4927       11.37013  1.995407       4.138491  
1 1 1 1   12 30 o 185.2453 1.955965  342.6815       7.226244  358.1956       10.71100  329.7210       9.789909  7.654007       3.911930  
1 1 1 1   12 31 o 99.95425 1.111020  99.98199       2.220969  100.1824       3.153248  99.78464       3.128746  0.1983948      2.222040  
1 1 1 1   12 32 o 10.63332 1.176993  1.129082       0.2420929 1.393830       0.3675286 0.9261672      0.3217603 2.335605       2.353986  
1 1 1 1   12 33 o 51.84536 0.7145851 26.82278       0.7394640 27.91674       1.088166  25.88416       1.007954  1.958553       1.429170  
1 1 1 1   12 34 o 29.29338 0.7088416 8.624413       0.4122072 8.955202       0.5566508 8.222786       0.6133654 1.251478       1.417683  
1 1 1 1   12 35 o 14.02544 1.141911  1.960444       0.3192492 2.200364       0.4682464 1.752042       0.4364064 1.596892       2.283822  
1 1 1 1   12 36 o 47.93153 0.9413054 22.99446       0.9022579 23.42326       1.287222  22.58030       1.265038  0.8784065      1.882611  
1 1 1 1   12 37 f 65.34309 1.590365  0.000000       0.000000  ?              ?         42.76930       2.078388  ?              ?         
1 1 1 1   12 38 f 40.66290 1.387396  0.000000       0.000000  ?              ?         16.55819       1.128311  ?              ?         
1 1 1 1   12 39 o 36.72007 0.8440826 12.95049       0.5722445 12.15059       0.6786600 14.91823       1.064435  -3.750641      1.688165  
1 1 1 1   12 40 o 104.9359 1.170681  110.2923       2.455492  107.7773       3.402468  113.0259       3.547236  -2.490112      2.341362  
1 1 1 1   12 41 o 121.9458 1.336198  148.9702       3.253918  153.8106       4.761338  144.7284       4.457175  3.695358       2.672396  
1 1 1 1   12 42 f 41.27798 0.6879698 17.04158       0.5675381 17.41818       0.8217742 16.69815       0.7847456 0.8702164      1.375940  
1 1 1 1   12 43 o 58.86895 0.7829296 34.54619       0.9195420 32.37135       1.248574  37.12399       1.359332  -4.029194      1.565859  
1 1 1 1   12 44 o 24.82015 1.224865  6.327210       0.5940090 5.240334       0.8875888 7.208888       0.7994230 -3.976007      2.449730  
1 1 1 1   12 45 o 97.47385 1.112933  95.19048       2.166279  98.30913       3.170794  92.46066       2.966557  2.976051       2.225865  
1 1 1 1   12 46 o 43.96002 0.7225319 19.21810       0.6328107 17.22350       0.8564509 21.61631       0.9391089 -4.989510      1.445064  
1 1 1 1   12 47 o 37.01979 0.7147623 13.74471       0.5285207 13.35879       0.7602801 14.10562       0.7352313 -1.010952      1.429525  
1 1 1 1   12 48 o 75.35533 0.9270941 56.83651       1.394455  59.01725       2.050961  54.96179       1.901611  2.672119       1.854188  
1 1 1 1   12 49 f 55.48305 0.7875177 30.85908       0.8734770 30.93147       1.255103  30.79108       1.216373  0.1221352      1.575035  
1 1 1 1   12 50 o 81.31810 0.9816207 66.35994       1.595513  67.40292       2.303483  65.39809       2.212083  1.219246       1.963241  
1 1 1 1   12 51 o 28.36334 0.7955469 7.872405       0.4456248 9.738095       0.6930846 6.557601       0.5818310 5.591496       1.591094  
1 1 1 1   12 52 o 78.31468 0.9709175 61.49279       1.517445  63.47347       2.233891  59.79583       2.067714  2.319496       1.941835  
1 1 1 1   12 53 o 40.94347 0.9406320 16.94203       0.7639623 15.93433       1.135177  17.77628       1.032867  -2.267498      1.881264  
1 1 1 1   12 54 o 5.900942 1.783156  -0.5573884E-01 0.3858031 -0.3523819     0.5712962 0.1929641      0.5231000 -1.138696      3.566312  
1 1 1 1   12 55 o 31.99566 1.481391  0.000000       0.000000  ?              ?         10.30804       0.9479616 ?              ?         
1 1 1 1   12 56 o 48.76210 2.164658  24.13881       2.111065  24.13881       2.111065  ?              ?         ?              ?         
1 1 1 1   12 57 o 56.74780 1.129391  32.42606       1.280126  33.85973       1.869965  31.16161       1.756135  2.344822       2.258782  
1 1 1 1   12 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   13 0  o 120.8064 1.840099  145.9622       4.445397  144.6506       6.229731  147.3229       6.345345  -1.105392      3.680199  
1 1 1 1   13 1  o 113.2906 1.734924  128.3805       3.931008  128.3155       5.554476  128.4458       5.564106  -0.5746460E-01 3.469848  
1 1 1 1   13 2  o 58.75011 0.8949343 34.22935       0.9813432 33.72755       1.186158  35.31790       1.747042  -1.351974      1.789869  
1 1 1 1   13 3  o 469.1877 4.870467  2205.033       45.68628  2238.705       65.68871  2173.486       63.58303  6.918243       9.740934  
1 1 1 1   13 4  o 397.3064 4.127770  1579.906       32.78017  1609.842       47.34325  1552.339       45.43210  7.211395       8.255540  
1 1 1 1   13 5  o 173.7499 1.831363  301.9447       6.363273  304.5607       9.080886  299.4209       8.919341  1.478088       3.662727  
1 1 1 1   13 6  o 329.5655 3.426446  1084.966       22.54095  1124.391       33.13280  1050.996       30.75524  11.10696       6.852892  
1 1 1 1   13 7  o 157.3510 1.669251  247.3545       5.247799  254.1973       7.631607  241.2167       7.227859  4.122253       3.338503  
1 1 1 1   13 8  o 299.2159 3.113250  896.0560       18.62720  905.8391       26.65284  886.7154       26.04341  3.188293       6.226501  
1 1 1 1   13 9  o 91.08424 1.019132  82.89325       1.855255  85.04478       2.685064  80.92768       2.566409  2.259552       2.038265  
1 1 1 1   13 10 o 212.1297 2.224450  450.1306       9.434985  444.5281       13.16452  456.0476       13.52912  -2.711594      4.448899  
1 1 1 1   13 11 o 151.9077 1.611977  229.2672       4.869517  245.0324       7.373325  217.0720       6.484966  9.196289       3.223953  
1 1 1 1   13 12 o 332.6416 3.462398  1108.284       23.03252  1117.416       32.84901  1099.453       32.30365  2.690369       6.924797  
1 1 1 1   13 13 o 246.8728 2.577394  609.3051       12.71166  625.8919       18.50511  594.4852       17.49166  6.346649       5.154787  
1 1 1 1   13 14 o 178.5432 1.880623  318.8101       6.712620  324.0569       9.662166  313.9150       9.332567  2.836502       3.761245  
1 1 1 1   13 15 o 137.6836 1.469961  188.5444       4.028463  200.4669       6.063060  179.1209       5.390308  7.745377       2.939921  
1 1 1 1   13 16 o 28.40340 0.5809112 8.068173       0.3299917 8.121124       0.4666955 8.015229       0.4666621 0.1864147      1.161822  
1 1 1 1   13 17 o 240.8477 2.516923  579.3881       12.09678  602.4951       17.83487  559.7009       16.46231  8.856705       5.033845  
1 1 1 1   13 18 o 206.2976 2.163933  425.2635       8.914259  439.2371       13.05126  413.0441       12.20462  6.333649       4.327866  
1 1 1 1   13 19 o 122.6946 1.325836  150.5233       3.252181  153.1284       4.678949  148.0884       4.523543  2.052246       2.651672  
1 1 1 1   13 20 o 254.6970 2.660448  648.6506       13.53253  630.4571       18.55000  669.3482       19.78545  -7.608170      5.320895  
1 1 1 1   13 21 o 331.4854 3.453212  1102.055       22.89326  1105.720       32.50595  1098.447       32.24753  1.089172       6.906423  
1 1 1 1   13 22 o 347.9365 3.624692  1213.919       25.20839  1237.358       36.40339  1192.324       34.94163  6.422852       7.249383  
1 1 1 1   13 23 o 40.90298 0.7084869 16.35269       0.5642479 15.18719       0.7098132 18.35350       0.9300151 -3.868977      1.416974  
1 1 1 1   13 24 o 154.6493 1.644421  239.3568       5.086136  239.7926       7.208442  238.9248       7.177423  0.2800446      3.288842  
1 1 1 1   13 25 o 69.31331 0.8369696 47.88007       1.157552  45.62218       1.572707  50.54922       1.709943  -3.552879      1.673939  
1 1 1 1   13 26 o 232.2701 2.434006  540.1277       11.29808  552.3210       16.36942  529.0351       15.61318  4.989853       4.868011  
1 1 1 1   13 27 o 118.6676 1.289248  140.6218       3.054868  136.0613       4.178998  145.8555       4.476837  -4.121162      2.578496  
1 1 1 1   13 28 o 78.08228 0.9120646 60.87578       1.422157  62.99731       2.081442  59.01817       1.947683  2.546082       1.824129  
1 1 1 1   13 29 o 203.3212 2.140362  413.7196       8.691787  426.3232       12.69383  402.5945       11.92614  5.805252       4.280725  
1 1 1 1   13 30 o 61.35868 0.7743664 37.57330       0.9486527 39.13740       1.391966  36.21674       1.296329  2.378357       1.548733  
1 1 1 1   13 31 o 54.50304 0.7290561 28.62922       0.7767721 35.01070       1.274407  24.85702       0.9798159 9.309418       1.458112  
1 1 1 1   13 32 o 114.4188 1.252183  131.0209       2.864398  128.6674       3.985203  133.5361       4.119894  -2.122551      2.504366  
1 1 1 1   13 33 o 117.8056 1.285557  138.9635       3.028379  137.1890       4.234445  140.8213       4.332798  -1.537399      2.571115  
1 1 1 1   13 34 o 69.20325 0.8395984 47.92754       1.162037  47.62850       1.644354  48.22586       1.642383  -0.4316635     1.679197  
1 1 1 1   13 35 f 78.85442 1.328487  61.89941       2.083645  66.17196       3.151141  58.57994       2.777530  4.791924       2.656973  
1 1 1 1   13 36 f 79.83759 1.345297  63.61441       2.140172  67.01760       3.195310  60.84555       2.882175  3.845528       2.690594  
1 1 1 1   13 37 o 64.93576 1.068561  41.65481       1.330640  40.26399       1.648146  44.25857       2.255071  -3.042309      2.137123  
1 1 1 1   13 38 o 88.52065 1.251507  76.20000       2.024003  72.99588       2.390466  84.31375       3.803989  -6.296410      2.503014  
1 1 1 1   13 39 o 41.31186 0.9084694 17.07491       0.7501931 16.60158       1.039917  17.58854       1.083277  -1.192074      1.816939  
1 1 1 1   13 40 o 47.94370 0.9568130 22.71411       0.9103775 20.56261       1.199891  25.63273       1.397527  -5.274281      1.913626  
1 1 1 1   13 41 o 11.99742 1.510045  1.530118       0.3433291 1.015509       0.4954732 2.005436       0.4761825 -4.285349      3.020090  
1 1 1 1   13 42 o 27.97436 0.7209793 7.624974       0.3977670 9.246636       0.6284122 6.540923       0.5137947 4.829077       1.441959  
1 1 1 1   13 43 o 73.44250 0.8981779 54.05665       1.319240  53.53471       1.866049  54.57819       1.865325  -0.7104721     1.796356  
1 1 1 1   13 44 f 58.68323 0.7959986 34.50137       0.9341801 33.99141       1.318072  35.01608       1.324210  -0.8725433     1.591997  
1 1 1 1   13 45 f 35.35242 0.7043026 12.40921       0.4944429 10.50522       0.6686755 14.70611       0.7344377 -5.936256      1.408605  
1 1 1 1   13 46 o 35.84789 0.6999403 12.84309       0.5007052 13.29468       0.7378287 12.45760       0.6817049 1.162682       1.399881  
1 1 1 1   13 47 o 94.07677 1.088088  88.78522       2.045693  85.98218       2.825820  91.87179       2.965310  -3.109825      2.176176  
1 1 1 1   13 48 f 13.54557 1.153449  1.846763       0.3113405 1.816618       0.4582820 1.872601       0.4242846 -0.2121391     2.306898  
1 1 1 1   13 49 f 53.28290 0.7836037 28.44674       0.8347396 27.39450       1.166206  29.55220       1.195333  -2.021404      1.567207  
1 1 1 1   13 50 o 37.84126 0.7465566 14.21070       0.5611184 15.58536       0.8570375 13.17935       0.7423450 3.164860       1.493113  
1 1 1 1   13 51 o 47.89628 0.7779901 22.99927       0.7438717 23.17826       1.087528  22.84191       1.019729  0.3418236      1.555980  
1 1 1 1   13 52 o 45.54331 0.9441561 20.70184       0.8497174 21.69185       1.319905  20.00114       1.110426  1.819973       1.888312  
1 1 1 1   13 53 o 14.41171 1.907393  2.145918       0.4885049 2.190858       0.9099110 2.127719       0.5790275 -0.1877375     3.814786  
1 1 1 1   13 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   13 55 o 49.20451 1.059440  24.31151       1.041055  25.83928       1.521839  22.96774       1.427256  2.895607       2.118881  
1 1 1 1   13 56 o 64.88551 1.201737  42.46278       1.558040  43.86396       2.264091  41.20238       2.147343  2.016605       2.403473  
1 1 1 1   13 57 o 63.56253 1.204021  40.77850       1.530038  41.82150       2.200939  39.80305       2.128480  1.566498       2.408042  
1 1 1 1   14 0  o 427.2025 4.436073  1829.002       37.90114  1821.597       53.38006  1836.531       53.82329  -1.740021      8.872146  
1 1 1 1   14 1  o 352.1389 3.660177  1241.774       25.77551  1250.624       36.74582  1233.201       36.16525  2.465485       7.320354  
1 1 1 1   14 2  o 423.1163 4.395535  1794.200       37.19582  1787.079       52.41725  1801.423       52.79038  -1.688354      8.791069  
1 1 1 1   14 3  o 186.8063 1.967337  348.9887       7.347848  354.1891       10.55352  344.0961       10.23658  2.698883       3.934675  
1 1 1 1   14 4  o 397.9930 4.134202  1586.783       32.89925  1606.745       47.16798  1567.872       45.91063  4.861542       8.268405  
1 1 1 1   14 5  o 233.3454 2.439201  542.7361       11.34438  569.9485       16.90162  520.4254       15.30386  10.59436       4.878402  
1 1 1 1   14 6  o 181.3850 1.910468  328.9601       6.927158  335.2273       9.987624  323.1507       9.615907  3.325745       3.820935  
1 1 1 1   14 7  o 183.8301 1.935200  337.5698       7.105555  348.0621       10.37360  328.2960       9.752663  5.370422       3.870400  
1 1 1 1   14 8  o 162.0889 1.715313  262.8374       5.560647  262.9674       7.874334  262.7080       7.853591  0.7983398E-01  3.430626  
1 1 1 1   14 9  o 176.4693 1.859844  311.5746       6.564108  311.7580       9.286139  311.3914       9.279964  0.1038208      3.719688  
1 1 1 1   14 10 o 325.6389 3.387933  1062.214       22.06295  1069.941       31.44960  1054.726       30.95963  2.326965       6.775866  
1 1 1 1   14 11 o 64.52468 0.7802061 41.58643       1.005927  40.48684       1.387030  42.80651       1.461046  -1.797169      1.560412  
1 1 1 1   14 12 f 134.9569 1.445075  182.1919       3.900270  183.2484       5.548701  181.1600       5.483506  0.7731171      2.890151  
1 1 1 1   14 13 f 104.6690 1.146983  109.5839       2.401063  109.8844       3.400339  109.2850       3.390914  0.2862473      2.293966  
1 1 1 1   14 14 o 113.7452 1.236130  128.9802       2.804427  123.7975       3.801013  135.1721       4.154659  -4.996704      2.472260  
1 1 1 1   14 15 o 135.3120 1.447497  183.1676       3.917052  184.3429       5.575268  182.0219       5.504507  0.8568573      2.894994  
1 1 1 1   14 16 o 144.2457 1.536993  207.1982       4.417012  197.7136       5.941672  218.9148       6.603869  -7.340866      3.073985  
1 1 1 1   14 17 o 352.6320 3.671692  1247.153       25.89460  1243.411       36.48367  1250.953       36.75887  -1.061401      7.343385  
1 1 1 1   14 18 f 118.5177 1.283693  140.3243       3.039516  136.6060       4.182919  144.4840       4.424278  -3.321068      2.567385  
1 1 1 1   14 19 o 127.5713 1.374255  161.8857       3.489880  153.7856       4.671731  172.1132       5.249512  -7.176353      2.748509  
1 1 1 1   14 20 o 150.7704 1.607959  227.4665       4.848629  228.2423       6.869977  226.6966       6.844089  0.5121918      3.215919  
1 1 1 1   14 21 o 129.2606 1.390100  167.0066       3.590907  163.2458       4.961800  171.1426       5.203431  -3.051399      2.780200  
1 1 1 1   14 22 o 80.46042 0.9269300 64.75481       1.491607  64.82354       2.114856  64.68678       2.104089  0.8489227E-01  1.853860  
1 1 1 1   14 23 o 119.4952 1.297103  142.4739       3.093099  148.5121       4.560328  137.3295       4.209330  4.674103       2.594205  
1 1 1 1   14 24 o 78.63763 0.9145778 61.85607       1.438404  61.83923       2.034814  61.87291       2.033608  -0.2143097E-01 1.829156  
1 1 1 1   14 25 o 149.6311 1.595503  223.7660       4.768642  230.5788       6.957859  217.7313       6.548500  4.284378       3.191006  
1 1 1 1   14 26 o 97.07726 1.085414  94.06874       2.103677  90.80077       2.873826  97.84141       3.087779  -3.622742      2.170829  
1 1 1 1   14 27 o 231.6540 2.430662  538.0803       11.26072  534.6534       15.81793  541.6016       16.03442  -1.490982      4.861323  
1 1 1 1   14 28 o 133.2575 1.434832  177.3532       3.816340  184.1778       5.614648  171.4925       5.203061  4.748154       2.869663  
1 1 1 1   14 29 o 107.5555 1.184544  115.7864       2.548075  115.6917       3.607479  115.8807       3.599580  -0.8808136E-01 2.369088  
1 1 1 1   14 30 f 82.80893 0.9554163 67.86640       1.569115  74.29317       2.414984  63.17105       2.064202  6.706795       1.910833  
1 1 1 1   14 31 o 110.2285 1.211832  121.6503       2.671445  120.7189       3.755887  122.6041       3.800495  -0.8534546     2.423664  
1 1 1 1   14 32 o 146.6994 1.937044  215.3624       5.322905  217.7459       9.361634  214.2236       6.470650  1.013733       3.874087  
1 1 1 1   14 33 o 64.30769 1.158579  41.17736       1.483039  43.76860       2.231571  39.12767       1.984731  3.597309       2.317158  
1 1 1 1   14 34 f 24.64414 1.093961  5.879804       0.5301182 7.476926       0.8422158 4.831871       0.6822146 5.358686       2.187922  
1 1 1 1   14 35 f 79.23825 0.9327133 62.85921       1.478085  62.99160       2.099574  62.72914       2.081204  0.1647949      1.865427  
1 1 1 1   14 36 o 45.87869 0.6972983 21.04025       0.6388500 21.46770       0.9333256 20.66344       0.8763083 0.8744240      1.394597  
1 1 1 1   14 37 o 84.73570 0.9830609 71.57808       1.660897  67.88569       2.244184  76.04987       2.469705  -4.805199      1.966122  
1 1 1 1   14 38 o 53.87160 0.7398763 28.99944       0.7961642 30.00776       1.161821  28.10671       1.093201  1.761265       1.479753  
1 1 1 1   14 39 o 56.13757 0.7587956 31.25202       0.8476491 28.54929       1.132028  34.70140       1.278873  -5.471661      1.517591  
1 1 1 1   14 40 f 70.05927 0.8666064 49.16042       1.214138  49.16917       1.730231  49.15194       1.704166  0.1061249E-01  1.733213  
1 1 1 1   14 41 o 51.20041 0.8002133 26.34925       0.8164197 28.31038       1.138894  24.27613       1.170957  3.941811       1.600427  
1 1 1 1   14 42 o 32.22998 0.8971289 10.40760       0.5782183 10.62555       0.8243275 10.19649       0.8112771 0.6645184      1.794258  
1 1 1 1   14 43 o 77.11557 1.293484  59.68089       1.993208  57.90425       2.749401  61.64903       2.893780  -2.408531      2.586967  
1 1 1 1   14 44 o 107.3741 1.692232  116.1769       3.630345  113.1386       4.999986  119.5644       5.279584  -2.939697      3.384465  
1 1 1 1   14 45 o 20.11599 0.9368021 4.084913       0.3649307 3.951667       0.5906011 4.167205       0.4641356 -0.5500183     1.873604  
1 1 1 1   14 46 o 76.97931 0.9381962 59.22953       1.441268  56.13354       1.960465  62.87083       2.126121  -4.355362      1.876392  
1 1 1 1   14 47 o 19.18891 0.9022403 3.677913       0.3454295 3.929472       0.5105459 3.465537       0.4691033 1.203695       1.804481  
1 1 1 1   14 48 o 100.2554 1.150026  100.9942       2.305047  98.64449       3.206167  103.5081       3.316279  -2.407074      2.300052  
1 1 1 1   14 49 o 23.51996 0.8329837 5.447794       0.3882326 6.463937       0.5972944 4.704442       0.5108681 3.728867       1.665967  
1 1 1 1   14 50 o 48.31335 0.7708520 23.40984       0.7444229 23.44036       1.071352  23.38136       1.035128  0.5614853E-01  1.541704  
1 1 1 1   14 51 o 50.15300 0.9166722 25.12539       0.9156787 26.69718       1.372305  23.86394       1.229382  2.801067       1.833344  
1 1 1 1   14 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   14 53 o 53.64810 1.077373  28.88545       1.153704  27.49588       1.572343  30.50611       1.698067  -2.776840      2.154745  
1 1 1 1   14 54 o 14.25304 1.643307  2.164144       0.4393047 1.431859       0.6235086 2.886010       0.6190568 -5.294239      3.286614  
1 1 1 1   14 55 o 61.53761 1.163738  38.21128       1.432234  38.20434       2.017955  38.21832       2.033099  -0.7194519E-02 2.327476  
1 1 1 1   14 56 o 26.83723 1.102388  7.267796       0.5913565 7.092744       0.8437473 7.436805       0.8290551 -0.6450291     2.204776  
1 1 1 1   14 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   15 0  o 123.1943 1.626948  151.4156       3.765256  153.0255       6.586965  150.6343       4.588883  0.9538422      3.253895  
1 1 1 1   15 1  f 172.1333 1.817397  295.8376       6.245947  306.3047       9.160424  286.7435       8.538535  5.676086       3.634794  
1 1 1 1   15 2  o 196.2557 2.062894  383.9643       8.071246  402.6972       12.00189  368.4974       10.90563  8.701141       4.125788  
1 1 1 1   15 3  o 252.4529 2.636563  637.7804       13.30835  646.5418       19.09657  629.5073       18.55672  3.366165       5.273126  
1 1 1 1   15 4  o 420.4611 4.370125  1770.175       36.69648  1825.070       53.64200  1721.885       50.31130  12.19089       8.740251  
1 1 1 1   15 5  o 152.3103 1.617152  231.9973       4.924685  235.2981       7.069695  228.8858       6.863973  2.103149       3.234305  
1 1 1 1   15 6  o 352.1335 3.663280  1242.507       25.79550  1230.893       36.11264  1254.607       36.85950  -3.351288      7.326559  
1 1 1 1   15 7  o 218.9692 2.293006  479.8875       10.04158  482.2631       14.27541  477.5607       14.12760  1.071701       4.586012  
1 1 1 1   15 8  f 297.2280 3.096524  884.9825       18.40747  884.8342       26.02690  885.1309       26.03729  -0.4971313E-01 6.193048  
1 1 1 1   15 9  o 166.0125 1.755426  275.4893       5.823564  282.1769       8.445602  269.4273       8.040826  3.835114       3.510851  
1 1 1 1   15 10 o 140.2055 1.500250  195.3451       4.184212  208.9581       6.324510  184.7487       5.579926  8.625381       3.000501  
1 1 1 1   15 11 o 95.39011 1.065367  91.00396       2.032212  90.38746       2.845910  91.64541       2.902902  -0.6589050     2.130734  
1 1 1 1   15 12 o 74.39720 0.8690367 55.17717       1.290101  57.95287       1.904714  52.82443       1.753598  3.445595       1.738073  
1 1 1 1   15 13 f 145.8210 1.552770  212.1138       4.517203  204.2693       6.133645  221.4112       6.677536  -5.870941      3.105541  
1 1 1 1   15 14 o 129.3376 1.390677  167.3519       3.597313  167.8004       5.098277  166.9073       5.076530  0.3450012      2.781353  
1 1 1 1   15 15 o 109.3080 1.194477  118.8385       2.599398  126.3927       3.907155  112.8399       3.481724  6.195351       2.388953  
1 1 1 1   15 16 o 248.1297 2.594117  616.5889       12.87231  621.4949       18.35738  611.8432       18.05478  1.938339       5.188234  
1 1 1 1   15 17 o 270.9341 2.828643  735.3890       15.32506  742.6302       21.90828  728.4509       21.44497  2.605133       5.657286  
1 1 1 1   15 18 o 112.0549 1.222977  125.1730       2.733129  131.2326       4.051868  120.1141       3.702209  4.957245       2.445953  
1 1 1 1   15 19 o 75.81502 0.8912391 57.36666       1.349222  55.40721       1.845852  59.61460       1.977075  -2.773643      1.782478  
1 1 1 1   15 20 o 49.59388 0.6935211 24.59892       0.6878853 24.57430       0.9712661 24.62370       0.9743749 -0.4977798E-01 1.387042  
1 1 1 1   15 21 o 144.7785 1.545947  209.7434       4.476024  211.2193       6.379485  208.3125       6.281753  1.002213       3.091895  
1 1 1 1   15 22 o 189.9843 2.002020  360.9015       7.597948  351.5363       10.44354  371.4324       11.07444  -5.221588      4.004040  
1 1 1 1   15 23 o 156.5141 1.664839  245.2007       5.211213  246.4113       7.409129  244.0156       7.331027  0.7636719      3.329678  
1 1 1 1   15 24 f 109.7878 1.205912  119.6139       2.630841  112.4204       3.490056  129.0808       4.003764  -7.578415      2.411824  
1 1 1 1   15 25 o 48.12808 0.6952608 23.12356       0.6685171 24.15243       0.9732499 22.20448       0.9198596 2.023106       1.390522  
1 1 1 1   15 26 o 72.64226 0.8703175 52.52345       1.259908  55.83611       1.880978  49.82780       1.696783  4.132675       1.740635  
1 1 1 1   15 27 o 134.2745 1.445690  180.4055       3.880250  183.9197       5.599975  177.1602       5.381544  2.510300       2.891380  
1 1 1 1   15 28 o 103.5583 1.146411  107.3364       2.374386  106.8020       3.350315  107.8758       3.365515  -0.5180511     2.292821  
1 1 1 1   15 29 o 18.21686 0.8159177 3.209085       0.2862835 4.718228       0.4479661 2.167209       0.3722099 7.000123       1.631835  
1 1 1 1   15 30 o 90.65761 1.469339  82.30896       2.662798  83.59366       3.838114  81.11676       3.697359  1.359375       2.938678  
1 1 1 1   15 31 o 100.0785 1.595148  99.86732       3.180759  94.54764       4.278335  106.4413       4.756039  -5.915840      3.190296  
1 1 1 1   15 32 o 51.76194 0.8891942 26.80835       0.8646519 26.79085       1.055004  26.84415       1.509055  -0.3522873E-01 1.778388  
1 1 1 1   15 33 o 66.88120 0.8285357 44.41742       1.103050  41.26212       1.474971  48.42140       1.661538  -5.345245      1.657071  
1 1 1 1   15 34 o 49.31252 0.7083620 24.30685       0.6978182 24.86906       1.015882  23.80458       0.9601983 1.077415       1.416724  
1 1 1 1   15 35 o 85.62233 0.9909462 73.33958       1.695349  75.16977       2.462188  71.68964       2.337813  2.025757       1.981892  
1 1 1 1   15 36 o 74.82977 0.8972021 55.88771       1.340189  53.26709       1.827547  58.93658       1.971226  -3.781082      1.794404  
1 1 1 1   15 37 f 7.273662 1.473275  0.4707749      0.2482765 0.9037746      0.3758505 0.1355596      0.3306993 4.062711       2.946551  
1 1 1 1   15 38 o 65.95053 0.8310292 43.03239       1.088426  39.29820       1.438718  48.02969       1.664351  -6.606544      1.662058  
1 1 1 1   15 39 f 28.39633 0.6896300 8.033671       0.3903011 8.512513       0.5820815 7.642516       0.5260935 1.528988       1.379260  
1 1 1 1   15 40 o 43.81229 0.6991529 18.87081       0.6063482 21.72890       0.9435731 16.86036       0.7913762 5.547180       1.398306  
1 1 1 1   15 41 o 25.67385 0.7326492 6.592989       0.3747695 5.833540       0.5197505 7.415470       0.5408897 -3.079369      1.465298  
1 1 1 1   15 42 o 18.41167 0.8754625 3.392563       0.3211399 3.453022       0.4773177 3.342562       0.4340765 0.2960262      1.750925  
1 1 1 1   15 43 f 54.82224 0.9704901 29.65639       0.9900808 28.85037       1.190347  31.46581       1.783483  -2.322525      1.940980  
1 1 1 1   15 44 o 17.75653 0.8894684 3.124219       0.3139859 3.600063       0.4737140 2.751362       0.4193294 2.383978       1.778937  
1 1 1 1   15 45 o 17.03497 1.042414  2.887446       0.3528478 2.696871       0.4678053 3.138950       0.5374082 -1.287966      2.084828  
1 1 1 1   15 46 o 45.04034 0.9635696 20.34324       0.8676273 19.77953       1.206118  20.94779       1.249027  -1.291233      1.927139  
1 1 1 1   15 47 o 40.94862 0.9552453 16.63117       0.7776492 14.82450       1.035786  18.96513       1.177274  -5.036125      1.910491  
1 1 1 1   15 48 o 28.79658 0.8770107 8.258271       0.4966681 8.655625       0.7847363 7.992732       0.6415038 1.131283       1.754021  
1 1 1 1   15 49 o 39.49097 0.7503439 15.64923       0.5920903 15.35544       0.8509553 15.92495       0.8243622 -0.7245598     1.500688  
1 1 1 1   15 50 o 31.06535 2.156362  9.726764       1.314507  10.63601       2.106616  9.147000       1.682177  2.233839       4.312724  
1 1 1 1   15 51 o 43.78780 1.019756  19.16442       0.8897684 17.94765       1.197103  20.66637       1.330010  -3.078171      2.039512  
1 1 1 1   15 52 o 10.60252 1.900053  1.208762       0.4034291 1.027069       0.6193439 1.342672       0.5317019 -1.352278      3.800107  
1 1 1 1   15 53 o 20.48652 1.179207  4.216200       0.4817044 4.704344       0.7043954 3.787371       0.6602147 2.226467       2.358414  
1 1 1 1   15 54 o 68.59602 1.232960  47.52188       1.691522  47.59951       2.393575  47.44445       2.390775  0.1122284      2.465921  
1 1 1 1   15 55 o 11.86941 1.842638  1.474286       0.4235347 1.723323       0.6440302 1.284507       0.5622096 1.763252       3.685276  
1 1 1 1   15 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   16 0  o 260.9337 3.327756  684.9860       16.48410  690.9016       20.37863  673.7893       28.03619  3.450745       6.655513  
1 1 1 1   16 1  o 29.21051 0.8331468 8.531271       0.4866602 8.345560       0.6820160 8.723919       0.6946406 -0.6475697     1.666294  
1 1 1 1   16 2  o 446.6094 6.597488  2010.336       58.89444  1974.269       81.61617  2049.520       85.06978  -8.265869      13.19498  
1 1 1 1   16 3  o 249.6510 3.698875  623.8698       18.44102  644.1950       26.97585  606.0381       25.26702  7.597122       7.397750  
1 1 1 1   16 4  o 171.8195 2.219025  296.0497       7.215762  293.8732       12.38123  297.1692       8.879663  -1.014969      4.438050  
1 1 1 1   16 5  f 41.51791 0.6489651 16.88685       0.5325493 15.01195       0.6915004 19.61983       0.8348744 -5.548565      1.297930  
1 1 1 1   16 6  o 234.8625 2.457595  552.3140       11.54358  554.6838       16.40264  549.9884       16.24861  0.9966888      4.915190  
1 1 1 1   16 7  o 189.5105 1.994248  358.0688       7.533805  375.9570       11.21146  343.3412       10.17292  8.588791       3.988495  
1 1 1 1   16 8  o 138.2693 1.478020  191.2552       4.086869  189.7076       5.730284  192.8574       5.830430  -1.137802      2.956041  
1 1 1 1   16 9  o 360.6627 3.754106  1304.940       27.07932  1304.681       38.28581  1305.198       38.30607  -0.7107544E-01 7.508213  
1 1 1 1   16 10 o 55.65219 0.7132130 30.61431       0.7880722 33.97036       1.206682  28.11821       1.040661  5.256863       1.426426  
1 1 1 1   16 11 o 159.5201 1.695090  254.5999       5.407508  252.7389       7.585327  256.5231       7.710965  -1.184479      3.390180  
1 1 1 1   16 12 o 224.3859 2.352176  504.1084       10.55579  505.3835       14.96902  502.8471       14.88761  0.5636597      4.704352  
1 1 1 1   16 13 o 50.20287 0.6792186 25.20460       0.6819438 25.06421       0.9589628 25.34822       0.9699596 -0.2828026     1.358437  
1 1 1 1   16 14 o 130.4966 1.406532  169.3553       3.653009  180.3313       5.502624  160.7061       4.884676  7.511787       2.813063  
1 1 1 1   16 15 o 215.4254 2.261827  464.6453       9.744260  461.4489       13.67373  467.9434       13.88974  -1.502899      4.523655  
1 1 1 1   16 16 o 176.7216 1.866168  311.8557       6.582745  301.6013       8.976861  323.7841       9.681880  -6.263824      3.732335  
1 1 1 1   16 17 o 168.1173 1.779389  282.8678       5.982609  284.5240       8.512930  281.2516       8.409394  0.9714355      3.558779  
1 1 1 1   16 18 o 250.1700 2.616186  627.0531       13.08850  622.1929       18.35462  632.0813       18.66927  -1.967667      5.232372  
1 1 1 1   16 19 o 244.6208 2.560443  598.3804       12.50445  619.4424       18.35007  580.1215       17.08550  8.001328       5.120885  
1 1 1 1   16 20 o 97.42360 1.088495  94.93244       2.120569  95.92906       3.031413  93.97741       2.967483  1.000816       2.176990  
1 1 1 1   16 21 o 215.7396 2.265479  465.3170       9.757545  481.9241       14.32157  450.9295       13.33020  7.154709       4.530959  
1 1 1 1   16 22 o 89.42557 1.014205  79.97537       1.813414  81.12123       2.601741  78.89278       2.528918  1.244911       2.028411  
1 1 1 1   16 23 o 97.80016 1.092653  95.59577       2.135412  98.11259       3.098030  93.31767       2.947452  2.448769       2.185307  
1 1 1 1   16 24 o 95.57791 1.076701  90.90617       2.049739  96.70476       3.071576  86.25079       2.752188  5.462898       2.153402  
1 1 1 1   16 25 o 285.4966 2.988659  819.0588       17.06110  809.5836       23.82386  829.0339       24.44418  -3.368652      5.977318  
1 1 1 1   16 26 o 92.28320 1.045461  84.89261       1.923877  89.35360       2.856436  81.18877       2.602767  4.417709       2.090921  
1 1 1 1   16 27 f 86.82404 1.247664  72.86108       1.949560  81.45097       3.767763  69.72039       2.278256  6.707726       2.495328  
1 1 1 1   16 28 o 127.4702 1.969539  161.9596       4.994066  172.9724       7.547762  153.3838       6.660509  7.630295       3.939078  
1 1 1 1   16 29 f 96.27887 1.335252  92.09140       2.395943  90.78510       2.892799  94.94514       4.275661  -2.099411      2.670504  
1 1 1 1   16 30 o 92.05058 1.042964  84.61756       1.916797  81.42442       2.618807  88.30215       2.813134  -3.728424      2.085928  
1 1 1 1   16 31 o 99.53764 1.113188  99.11524       2.213923  101.6622       3.217012  96.82369       3.051464  2.422493       2.226375  
1 1 1 1   16 32 o 48.87685 0.7026415 23.57990       0.6820091 21.09478       0.9023845 26.89045       1.041523  -5.924355      1.405283  
1 1 1 1   16 33 o 45.34250 0.6921702 20.16715       0.6205881 23.36957       0.9709323 17.95519       0.8069354 5.964886       1.384340  
1 1 1 1   16 34 f 62.27573 0.7960917 38.66916       0.9894102 36.53584       1.346435  41.17336       1.458782  -3.718571      1.592183  
1 1 1 1   16 35 o 90.91444 1.039278  82.30003       1.880674  87.71045       2.831230  78.02750       2.515946  5.306664       2.078556  
1 1 1 1   16 36 o 22.97557 0.7352855 5.235580       0.3360980 5.767111       0.5081327 4.822168       0.4481305 2.053511       1.470571  
1 1 1 1   16 37 o 60.82668 0.7953400 36.26686       0.9558430 32.20179       1.239614  42.22827       1.501158  -8.227249      1.590680  
1 1 1 1   16 38 o 34.99387 0.6761314 12.25224       0.4727992 12.38746       0.6846371 12.12895       0.6537125 0.3677521      1.352263  
1 1 1 1   16 39 o 50.71217 0.7331098 25.03536       0.7310233 29.75622       1.172628  22.03438       0.9349338 7.598583       1.466220  
1 1 1 1   16 40 o 81.54160 0.9650310 66.31079       1.567236  70.30421       2.348999  63.10697       2.104000  4.390755       1.930062  
1 1 1 1   16 41 o 69.65993 0.8724825 48.61812       1.215339  47.58539       1.701232  49.69452       1.736819  -1.510628      1.744965  
1 1 1 1   16 42 o 38.60561 0.9640006 15.29756       0.6676361 14.14536       1.237718  15.77038       0.7928755 -2.150528      1.928001  
1 1 1 1   16 43 f 21.74039 0.8149020 4.730294       0.3534869 4.833415       0.5204206 4.641970       0.4816405 0.4364700      1.629804  
1 1 1 1   16 44 f 37.14847 0.7165111 13.83408       0.5319069 13.61316       0.7642865 14.04160       0.7407264 -0.5788956     1.433022  
1 1 1 1   16 45 o 13.19468 1.173984  1.761141       0.3060931 1.673438       0.4638079 1.828814       0.4074160 -0.5978069     2.347968  
1 1 1 1   16 46 o 25.35187 0.8003366 6.480278       0.4016336 5.384418       0.5651415 7.598558       0.5708936 -4.366152      1.600673  
1 1 1 1   16 47 f 49.95884 0.7722629 25.03068       0.7712989 24.17053       1.090095  25.89301       1.091468  -1.723740      1.544526  
1 1 1 1   16 48 o 92.02459 1.597674  85.74220       2.939701  86.23287       4.211950  85.27617       4.104848  0.4898987      3.195348  
1 1 1 1   16 49 o 66.46821 1.682650  44.49371       2.236855  44.49371       2.236855  ?              ?         ?              ?         
1 1 1 1   16 50 o 92.15747 1.510032  85.93498       2.782235  84.43955       3.872748  87.53004       3.999671  -1.640083      3.020064  
1 1 1 1   16 51 o 16.22039 1.319816  2.637119       0.4264673 2.966981       0.6338996 2.364364       0.5764213 1.842296       2.639631  
1 1 1 1   16 52 o 45.61795 1.014080  20.91640       0.9244630 21.65444       1.340670  20.24734       1.276467  1.527748       2.028161  
1 1 1 1   16 53 o 14.95431 1.540307  2.358230       0.4280809 1.540904       0.5984687 3.214535       0.6125733 -5.780344      3.080615  
1 1 1 1   16 54 o 16.79870 1.342131  2.824292       0.4480893 3.180973       0.6814851 2.552647       0.5947261 1.840856       2.684263  
1 1 1 1   16 55 o 25.03387 2.774592  0.000000       0.000000  ?              ?         6.434866       1.389176  ?              ?         
1 1 1 1   17 0  o 167.4930 1.771853  280.6997       5.934777  278.3587       8.317796  283.1273       8.470367  -1.421356      3.543706  
1 1 1 1   17 1  o 98.20125 1.087762  95.92500       2.127316  102.0711       3.191085  91.00870       2.854016  5.629616       2.175523  
1 1 1 1   17 2  o 331.7100 3.454655  1103.257       22.91873  1105.305       32.48016  1101.226       32.34423  0.6111450      6.909310  
1 1 1 1   17 3  o 75.33629 0.8765932 56.75723       1.320610  56.29905       1.849819  57.23347       1.885954  -0.6199112     1.753186  
1 1 1 1   17 4  o 233.1418 2.993898  543.7645       13.12363  542.0963       16.01698  547.1721       22.89205  -0.9296417     5.987795  
1 1 1 1   17 5  o 208.5950 3.096578  435.7495       12.91120  428.0419       17.90054  444.1074       18.64029  -3.833054      6.193155  
1 1 1 1   17 6  o 179.6834 2.679528  322.4253       9.605847  336.3336       14.19139  310.6647       13.04974  7.119019       5.359055  
1 1 1 1   17 7  o 66.25581 1.123173  43.90803       1.488290  44.28973       2.114408  43.53321       2.095242  0.5707321      2.246346  
1 1 1 1   17 8  o 191.7907 2.473720  368.0446       8.937808  369.2661       15.51967  367.4385       10.93285  0.3860321      4.947441  
1 1 1 1   17 9  f 294.2662 3.069224  867.7836       18.06206  861.7191       25.36016  874.0268       25.73111  -2.081696      6.138448  
1 1 1 1   17 10 o 218.5798 2.292083  478.0318       10.01361  487.8789       14.47531  468.9948       13.86703  4.307587       4.584166  
1 1 1 1   17 11 o 39.60654 0.6356290 15.23260       0.4960968 18.81563       0.7845219 12.84517       0.6403908 7.536385       1.271258  
1 1 1 1   17 12 o 81.26502 0.9365532 66.04295       1.522008  66.84177       2.172535  65.27302       2.132901  0.9648590      1.873106  
1 1 1 1   17 13 o 132.1363 1.420470  174.2782       3.746624  181.0777       5.508621  168.4254       5.110772  4.782211       2.840939  
1 1 1 1   17 14 o 277.9529 2.901878  774.4016       16.13168  775.2007       22.83829  773.6058       22.78908  0.2854614      5.803756  
1 1 1 1   17 15 o 190.2750 2.005157  361.0722       7.605519  379.0464       11.31859  346.2758       10.26944  8.589386       4.010315  
1 1 1 1   17 16 o 208.0889 2.187184  433.6116       9.101909  430.8053       12.77991  436.5003       12.96620  -1.363953      4.374369  
1 1 1 1   17 17 o 224.3455 2.352869  503.8656       10.55115  513.7841       15.23143  494.7149       14.62989  4.233871       4.705738  
1 1 1 1   17 18 o 190.5431 2.009692  363.3680       7.655092  369.7471       11.02928  357.4385       10.63344  3.220291       4.019384  
1 1 1 1   17 19 o 196.4465 2.069814  386.1118       8.124714  377.3004       11.20657  395.8749       11.79626  -4.711441      4.139627  
1 1 1 1   17 20 o 123.1277 1.336093  151.4382       3.285288  156.6173       4.806668  146.8976       4.500615  3.940941       2.672186  
1 1 1 1   17 21 o 170.5773 1.808567  291.1912       6.166429  285.6994       8.547527  297.1517       8.904729  -3.346573      3.617134  
1 1 1 1   17 22 o 23.11157 0.7551285 5.239169       0.3422549 6.936921       0.5217344 3.956690       0.4534584 6.446606       1.510257  
1 1 1 1   17 23 o 83.28861 0.9647427 69.35486       1.606213  67.86667       2.228360  70.96425       2.317306  -1.857803      1.929485  
1 1 1 1   17 24 o 304.8745 3.939098  934.9614       22.47431  949.4458       39.61251  928.0856       27.29207  2.420380       7.878196  
1 1 1 1   17 25 o 180.9243 2.725113  328.7882       9.853164  335.8859       14.27219  322.3246       13.61966  3.702911       5.450226  
1 1 1 1   17 26 o 131.2694 1.841589  172.9543       4.742311  173.5955       6.142189  172.0078       7.462146  0.6756592      3.683178  
1 1 1 1   17 27 f 115.3820 1.267950  133.1622       2.923187  129.7164       4.029107  136.9918       4.247561  -3.143623      2.535901  
1 1 1 1   17 28 o 164.7707 1.754935  272.2600       5.782201  275.1405       8.271357  269.5070       8.086319  1.698227       3.509870  
1 1 1 1   17 29 o 22.97491 0.7519825 5.158105       0.3372330 7.045414       0.5182247 3.771841       0.4441398 7.121998       1.503965  
1 1 1 1   17 30 o 72.94223 0.8755268 53.24647       1.276946  53.73052       1.829439  52.78658       1.783198  0.6452255      1.751054  
1 1 1 1   17 31 o 22.65473 0.7241226 5.157640       0.3265235 4.630283       0.4656422 5.667831       0.4580005 -2.290176      1.448245  
1 1 1 1   17 32 o 53.15909 0.9973994 28.24494       1.059102  29.38111       1.545574  27.23915       1.454193  2.009968       1.994799  
1 1 1 1   17 33 o 158.1044 1.693352  250.8727       5.351124  245.6820       7.410036  256.5298       7.735732  -3.400482      3.386704  
1 1 1 1   17 34 f 27.25328 0.6930541 7.309441       0.3745967 8.578712       0.5743953 6.370090       0.4941370 4.048738       1.386108  
1 1 1 1   17 35 o 10.98017 1.250896  1.210399       0.2666934 1.442816       0.4025194 1.028535       0.3560620 2.030306       2.501792  
1 1 1 1   17 36 o 58.63628 0.7768199 34.06585       0.9058029 31.10359       1.205189  37.91154       1.373188  -5.796074      1.553640  
1 1 1 1   17 37 o 71.40077 0.8752028 51.06435       1.249576  51.28254       1.785923  50.85509       1.748991  0.2967606      1.750406  
1 1 1 1   17 38 o 18.20714 0.8615811 3.350254       0.3109646 2.951465       0.4508114 3.712235       0.4295029 -2.090782      1.723162  
1 1 1 1   17 39 o 76.31923 0.9222525 58.37562       1.407478  58.76659       2.011612  58.00067       1.969989  0.4980392      1.844505  
1 1 1 1   17 40 o 126.9857 1.395169  161.5953       3.533539  154.7086       4.786933  169.8405       5.237808  -5.892120      2.790338  
1 1 1 1   17 41 o 68.59682 0.8685870 47.09514       1.190700  45.23846       1.645107  49.13792       1.725583  -2.834442      1.737174  
1 1 1 1   17 42 o 23.79076 0.7988138 5.625445       0.3783645 6.186788       0.5690290 5.180557       0.5065761 2.108644       1.597628  
1 1 1 1   17 43 o 62.37840 0.8299356 38.64457       1.028430  42.10168       1.568799  36.03924       1.361889  4.836578       1.659871  
1 1 1 1   17 44 o 35.98819 0.7279801 12.90115       0.5222200 13.93925       0.7784035 12.05150       0.7042177 2.615318       1.455960  
1 1 1 1   17 45 o 6.404686 1.697409  0.2988755      0.2929197 0.3933593      0.4456076 0.2269830      0.3887008 0.9516006      3.394818  
1 1 1 1   17 46 o 16.09491 1.910670  2.593595       0.5944296 3.214891       0.9367536 2.174768       0.7691190 3.399583       3.821340  
1 1 1 1   17 47 o 34.12479 1.000882  11.71689       0.6326615 11.74067       0.7630447 11.66457       1.131654  0.1747093      2.001763  
1 1 1 1   17 48 o 45.30621 0.8792837 20.59542       0.7963943 20.94790       1.146691  20.26697       1.106905  0.7452774      1.758567  
1 1 1 1   17 49 o 53.79404 1.064573  29.10066       1.145080  28.41424       1.598931  29.82338       1.640649  -1.301296      2.129147  
1 1 1 1   17 50 o 50.05680 1.036456  25.20577       1.037551  24.82059       1.457085  25.60197       1.477770  -0.7761917     2.072913  
1 1 1 1   17 51 o 47.56020 1.025929  22.69745       0.9740290 23.95631       1.432319  21.61447       1.328502  2.438152       2.051859  
1 1 1 1   17 52 o 34.82339 0.9890313 12.15546       0.6869030 10.96196       0.9421870 13.50955       1.003571  -3.644146      1.978063  
1 1 1 1   17 53 o 37.96909 1.007147  14.49230       0.7640210 13.91840       1.051778  15.13345       1.111687  -1.585026      2.014295  
1 1 1 1   17 54 o 24.87900 1.107091  6.112605       0.5447537 7.178131       0.8505898 5.371644       0.7093090 3.592287       2.214182  
1 1 1 1   18 0  f 190.1048 2.002356  361.7468       7.613076  362.6263       10.79522  360.8766       10.73804  0.4592133      4.004713  
1 1 1 1   18 1  o 217.1089 2.276695  471.9337       9.885377  474.5320       14.05965  469.3933       13.90176  1.180359       4.553389  
1 1 1 1   18 2  o 93.61533 1.048700  87.64120       1.963110  86.66254       2.744092  88.66714       2.809579  -1.070061      2.097399  
1 1 1 1   18 3  o 167.1569 1.769804  279.4304       5.913190  285.1799       8.540945  274.1375       8.194817  3.297638       3.539609  
1 1 1 1   18 4  o 180.2089 1.902709  325.0010       6.856875  327.8641       9.788362  322.2421       9.608315  1.556808       3.805417  
1 1 1 1   18 5  o 176.4151 1.863500  310.2791       6.553123  297.5169       8.846336  325.7983       9.755211  -8.000427      3.727001  
1 1 1 1   18 6  o 42.24500 0.6483379 17.83858       0.5475280 17.54638       0.7606116 18.15283       0.7888008 -0.7176094     1.296676  
1 1 1 1   18 7  o 105.9371 1.167766  112.2321       2.473545  110.8591       3.451156  113.6826       3.547057  -1.331604      2.335532  
1 1 1 1   18 8  o 167.9402 2.170485  284.0522       6.945265  287.9689       8.632626  276.8646       11.69428  3.367264       4.340971  
1 1 1 1   18 9  o 116.3800 1.786803  135.5545       4.158864  136.4397       5.906524  134.6842       5.856835  0.7533340      3.573607  
1 1 1 1   18 10 o 82.27686 1.325635  67.61496       2.178778  69.96139       3.176962  65.53141       2.993712  2.689697       2.651269  
1 1 1 1   18 11 o 61.44668 1.068431  37.36959       1.303984  41.14499       1.991978  34.53860       1.724937  5.372757       2.136863  
1 1 1 1   18 12 f 128.7112 1.957572  165.7806       5.037286  168.4970       7.245576  163.2394       7.007959  2.037430       3.915145  
1 1 1 1   18 13 o 275.4864 3.542363  757.1294       18.21811  775.1964       32.34647  748.7356       22.04759  4.405762       7.084726  
1 1 1 1   18 14 o 246.7166 2.582686  608.1732       12.71090  634.3712       18.80115  586.1180       17.25063  9.733231       5.165372  
1 1 1 1   18 15 o 94.44595 1.061608  89.17184       2.004266  91.11431       2.891100  87.37447       2.781024  1.978477       2.123215  
1 1 1 1   18 16 o 174.0381 1.843174  303.2570       6.415422  301.7279       9.027119  304.8175       9.119138  -0.8854065     3.686347  
1 1 1 1   18 17 o 122.3879 1.327902  149.8857       3.250200  149.0256       4.567535  150.7679       4.625977  -0.7106705     2.655805  
1 1 1 1   18 18 o 159.8722 1.700705  255.8236       5.436216  259.5051       7.805464  252.3558       7.575629  2.229843       3.401410  
1 1 1 1   18 19 o 49.19289 0.7035726 24.07178       0.6900840 22.52919       0.9323343 25.94086       1.026266  -3.466560      1.407145  
1 1 1 1   18 20 o 80.34996 0.9375449 64.55526       1.506071  65.82033       2.166279  63.37173       2.095304  1.522499       1.875090  
1 1 1 1   18 21 o 111.7546 1.535317  120.9121       3.086250  134.5636       5.963879  115.9192       3.606743  8.267075       3.070634  
1 1 1 1   18 22 o 113.8345 1.780924  129.7330       4.051605  132.7336       5.867043  126.9975       5.601822  2.508675       3.561848  
1 1 1 1   18 23 f 243.5970 3.314183  598.8307       15.85248  602.0926       20.58660  594.0789       24.84724  2.002121       6.628365  
1 1 1 1   18 24 o 94.66769 1.068154  89.53001       2.019377  92.76090       2.954941  86.69895       2.766067  3.195808       2.136309  
1 1 1 1   18 25 o 234.5001 2.468582  552.9810       11.57732  550.6537       16.29874  555.3512       16.44789  -0.9895782     4.937164  
1 1 1 1   18 26 o 130.2300 1.410802  169.8367       3.672936  172.7902       5.289808  167.0871       5.103815  2.180588       2.821603  
1 1 1 1   18 27 o 108.2501 1.197712  117.0906       2.588171  121.6773       3.803235  113.1343       3.532224  3.933250       2.395424  
1 1 1 1   18 28 o 60.30202 0.7813675 35.74614       0.9322630 32.17265       1.214616  40.86969       1.454379  -7.202919      1.562735  
1 1 1 1   18 29 o 47.86034 0.7067295 22.90916       0.6761994 23.31160       0.9734803 22.53394       0.9399803 0.8113251      1.413459  
1 1 1 1   18 30 o 45.25288 0.6878399 20.46735       0.6214532 20.88961       0.9098433 20.09808       0.8508542 0.8725319      1.375680  
1 1 1 1   18 31 o 121.0195 1.863267  147.2276       4.509831  147.2767       6.382117  147.1787       6.373619  0.3961945E-01  3.726535  
1 1 1 1   18 32 o 39.25375 0.6745309 15.42608       0.5293211 15.13458       0.7552185 15.70755       0.7421001 -0.7303276     1.349062  
1 1 1 1   18 33 o 46.11440 0.6965181 21.13194       0.6393417 22.81629       0.9631057 19.80489       0.8548713 3.260349       1.393036  
1 1 1 1   18 34 o 42.17282 0.6919559 17.67386       0.5810339 19.15778       0.8736149 16.49678       0.7780712 3.150227       1.383912  
1 1 1 1   18 35 o 51.28722 0.7335513 26.23670       0.7510384 24.39297       1.028028  28.34712       1.099865  -3.851070      1.467103  
1 1 1 1   18 36 o 31.18289 0.6922877 9.739655       0.4308319 8.936193       0.6048652 10.56705       0.6138099 -2.614479      1.384575  
1 1 1 1   18 37 o 30.03798 0.6967697 9.048329       0.4176947 8.387219       0.5918286 9.704462       0.5895967 -2.192768      1.393539  
1 1 1 1   18 38 o 43.65564 0.7138234 19.07267       0.6227942 18.07025       0.8693889 20.12932       0.8925974 -2.356628      1.427647  
1 1 1 1   18 39 f 38.63274 0.7092568 14.80681       0.5447249 12.77781       0.7345033 17.28676       0.8120327 -5.829853      1.418514  
1 1 1 1   18 40 o 14.97929 1.043506  2.256353       0.3091442 2.219668       0.4717364 2.283967       0.4092779 -0.2220659     2.087012  
1 1 1 1   18 41 o 41.40267 1.121880  17.21867       0.9264395 17.20568       1.361042  17.22988       1.264631  -0.4267883E-01 2.243760  
1 1 1 1   18 42 f 89.84953 1.050671  81.01437       1.886884  82.50280       2.725719  79.64476       2.614659  1.574806       2.101342  
1 1 1 1   18 43 o 39.63160 0.7316943 15.70214       0.5790177 16.37548       0.8489180 15.11640       0.7917746 1.582687       1.463389  
1 1 1 1   18 44 o 57.02106 1.213069  32.52604       1.376544  34.50863       2.073631  30.96403       1.840592  3.066784       2.426138  
1 1 1 1   18 45 o 38.73957 0.9549991 15.39408       0.6949354 16.08226       0.8585647 14.08666       1.183399  2.623489       1.909998  
1 1 1 1   18 46 o 35.05741 0.7519327 12.11444       0.5222656 13.93786       0.8088768 10.81081       0.6839352 4.443428       1.503865  
1 1 1 1   18 47 o 29.75483 0.8402827 8.889244       0.4991084 8.959876       0.6866479 8.810122       0.7267498 0.2576180      1.680565  
1 1 1 1   18 48 o 15.26976 1.378563  2.371035       0.4176769 2.200556       0.6165555 2.515628       0.5678184 -1.044443      2.757127  
1 1 1 1   18 49 o 46.94115 1.013632  22.14523       0.9511814 22.76602       1.370876  21.56891       1.320865  1.264931       2.027264  
1 1 1 1   18 50 o 23.95872 1.056120  5.751329       0.5046204 6.177431       0.7490150 5.397186       0.6828479 1.612680       2.112240  
1 1 1 1   18 51 o 8.344058 1.942006  0.6888527      0.3752325 0.5980482      0.5811048 0.7537907      0.4914172 -0.4486160     3.884012  
1 1 1 1   18 52 o 15.07711 1.404541  2.270758       0.4203294 2.610725       0.6434438 2.017689       0.5551523 1.935919       2.809083  
1 1 1 1   18 53 o 23.53861 1.121700  5.551550       0.5253851 5.947443       0.7927063 5.241412       0.7016178 1.474792       2.243399  
1 1 1 1   19 0  o 16.66898 0.8221292 2.795913       0.2712987 3.268304       0.3848971 2.329479       0.3824632 2.816064       1.644258  
1 1 1 1   19 1  o 77.83835 0.9048000 59.99896       1.398724  65.60078       2.137142  55.80141       1.849977  6.292114       1.809600  
1 1 1 1   19 2  o 91.51144 1.029288  83.32710       1.876352  88.55400       2.809053  79.11611       2.521327  5.153702       2.058576  
1 1 1 1   19 3  o 208.7656 2.193084  436.2146       9.153008  443.5520       13.17384  429.3672       12.72637  3.387360       4.386168  
1 1 1 1   19 4  o 112.6903 1.231127  126.3509       2.762626  120.0647       3.704591  134.2264       4.146545  -6.277878      2.462254  
1 1 1 1   19 5  o 119.6104 1.299531  143.1363       3.108729  142.7524       4.386619  143.5237       4.406261  -0.3221588     2.599062  
1 1 1 1   19 6  o 178.7053 1.889584  317.9422       6.722588  302.5516       9.005087  337.3178       10.10385  -9.705215      3.779169  
1 1 1 1   19 7  o 58.62068 0.7528067 34.31384       0.8816131 33.24590       1.212354  35.51236       1.284336  -1.932575      1.505613  
1 1 1 1   19 8  o 192.3853 2.027146  370.5624       7.799304  368.0612       10.95143  373.1365       11.11005  -1.315491      4.054292  
1 1 1 1   19 9  o 175.7630 1.859107  309.1360       6.532970  313.9440       9.388882  304.6232       9.096103  2.645432       3.718215  
1 1 1 1   19 10 f 161.0358 1.710523  259.3155       5.504566  265.6196       7.981422  253.5970       7.601715  3.725372       3.421046  
1 1 1 1   19 11 o 262.3667 2.743809  689.9776       14.39510  697.4423       20.59257  682.8440       20.13078  2.766785       5.487619  
1 1 1 1   19 12 o 132.1680 1.425746  174.7166       3.767137  177.8776       5.424328  171.7716       5.235747  2.306503       2.851493  
1 1 1 1   19 13 o 329.6030 4.252309  1082.833       25.99431  1064.627       31.24337  1123.780       46.85481  -8.080048      8.504619  
1 1 1 1   19 14 o 76.53766 1.254087  58.61183       1.919485  58.17843       2.690909  59.06081       2.738848  -0.5755539     2.508174  
1 1 1 1   19 15 o 78.85524 1.288221  62.00219       2.026753  65.38733       2.995997  59.14589       2.752041  3.952583       2.576443  
1 1 1 1   19 16 o 158.2460 2.382187  250.7828       7.531417  245.0935       10.37063  257.1320       10.95549  -3.780899      4.764373  
1 1 1 1   19 17 o 67.64975 1.281258  45.87471       1.420507  45.67647       3.071039  45.92867       1.602208  -0.2181625     2.562516  
1 1 1 1   19 18 o 297.4002 5.399236  910.5406       31.02169  851.7960       49.94838  947.4299       39.58105  -17.18527      10.79847  
1 1 1 1   19 19 o 280.6306 4.184755  796.1775       23.48737  795.1709       33.18282  797.1880       33.24961  -0.3532104     8.369510  
1 1 1 1   19 20 o 101.0647 1.397360  101.0995       2.616338  99.21452       3.139517  105.3843       4.733434  -2.999985      2.794720  
1 1 1 1   19 21 o 80.29852 0.9375615 64.49349       1.505252  65.62372       2.160971  63.42826       2.097924  1.365486       1.875123  
1 1 1 1   19 22 o 35.62296 0.6693127 12.26302       0.4685106 15.82293       0.7427713 9.910845       0.6037681 8.295322       1.338625  
1 1 1 1   19 23 o 80.59947 0.9433858 65.01580       1.520716  64.76188       2.145403  65.27220       2.155868  -0.3162537     1.886772  
1 1 1 1   19 24 f 158.8984 1.696225  252.4803       5.377946  243.3529       7.311706  263.2381       7.937962  -6.220459      3.392451  
1 1 1 1   19 25 o 20.34616 0.7778972 4.125107       0.3148100 4.775938       0.4604777 3.553971       0.4313642 3.002058       1.555794  
1 1 1 1   19 26 o 73.36741 0.8863742 53.82019       1.299652  55.39922       1.882831  52.38313       1.796200  2.052078       1.772748  
1 1 1 1   19 27 o 37.07850 0.6703551 13.62730       0.4947619 15.25833       0.7436392 12.33188       0.6627279 3.943794       1.340710  
1 1 1 1   19 28 o 29.95622 0.6849022 8.980219       0.4098380 8.400669       0.5752041 9.577823       0.5840951 -1.964493      1.369804  
1 1 1 1   19 29 o 24.75294 0.7393226 6.131211       0.3637876 5.262487       0.5050312 7.068080       0.5244655 -3.646475      1.478645  
1 1 1 1   19 30 o 94.43986 1.074656  89.32812       2.029451  88.25585       2.838015  90.45027       2.903250  -1.157944      2.149311  
1 1 1 1   19 31 o 69.42979 0.8542718 48.22117       1.185226  49.27223       1.718768  47.26823       1.636577  1.438942       1.708544  
1 1 1 1   19 32 o 45.34864 0.6975055 20.58839       0.6324053 19.94997       0.8935758 21.22904       0.8951387 -1.410194      1.395011  
1 1 1 1   19 33 o 22.52698 0.7601846 5.096341       0.3414058 4.788015       0.4925038 5.381557       0.4736871 -1.318405      1.520369  
1 1 1 1   19 34 o 64.29551 0.8222331 41.24158       1.054174  43.39211       1.565395  39.45703       1.425992  3.051163       1.644466  
1 1 1 1   19 35 f 46.43584 0.7186431 21.40601       0.6638715 23.36336       1.004131  19.88606       0.8848526 3.736904       1.437286  
1 1 1 1   19 36 o 68.31935 0.8583898 46.28229       1.164094  50.63662       1.783684  43.05157       1.536408  5.531166       1.716780  
1 1 1 1   19 37 f 46.24170 0.7231127 21.39248       0.6681324 21.92861       0.9703261 20.90911       0.9213398 1.098679       1.446225  
1 1 1 1   19 38 o 46.77320 0.7288609 21.75217       0.6787795 23.61336       1.020652  20.27619       0.9089135 3.558556       1.457722  
1 1 1 1   19 39 o 16.64219 0.9673852 2.728550       0.3182876 3.389055       0.4847502 2.227982       0.4219989 3.481228       1.934770  
1 1 1 1   19 40 o 53.47556 1.160508  28.76828       1.239497  27.93354       1.783309  29.54844       1.724021  -1.518711      2.321015  
1 1 1 1   19 41 f 56.34229 0.8674599 31.86790       0.9590533 31.66960       1.507464  32.00273       1.243067  -0.3265114     1.734920  
1 1 1 1   19 42 o 34.96107 1.204412  12.35476       0.8373280 10.98334       1.195208  13.67663       1.173414  -3.855526      2.408823  
1 1 1 1   19 43 o 37.99614 0.7360478 14.26254       0.5550197 16.23343       0.8515947 12.80718       0.7317903 4.495735       1.472096  
1 1 1 1   19 44 o 12.90505 1.257981  1.662946       0.3232743 1.858833       0.4842310 1.505442       0.4342067 1.358999       2.515962  
1 1 1 1   19 45 o 51.45364 0.7870355 26.38418       0.8072677 24.02242       1.093135  29.21726       1.197254  -5.033661      1.574071  
1 1 1 1   19 46 o 21.55023 0.9969426 4.629827       0.4263400 4.386099       0.5629873 4.957527       0.6528062 -1.309851      1.993885  
1 1 1 1   19 47 o 49.21228 1.027842  24.34147       1.011200  23.82116       1.404715  24.90108       1.456814  -1.086872      2.055685  
1 1 1 1   19 48 f 56.62764 1.088224  32.25420       1.231725  33.11702       1.780156  31.46173       1.706050  1.445263       2.176447  
1 1 1 1   19 49 o 36.44128 0.9730794 13.35963       0.7089967 13.33471       1.014519  13.38343       0.9912316 -0.7189941E-01 1.946159  
1 1 1 1   19 50 o 27.93895 1.011306  7.815726       0.5630569 6.956883       0.7683883 8.811680       0.8274538 -3.305851      2.022612  
1 1 1 1   19 51 o 60.97838 1.151145  37.50159       1.403263  38.46375       2.022120  36.60781       1.948930  1.500854       2.302289  
1 1 1 1   19 52 o 14.17427 1.631948  1.981419       0.4341022 3.091523       0.6915196 1.259451       0.5576752 6.581542       3.263897  
1 1 1 1   20 0  o 119.0635 1.294056  141.8342       3.081421  142.5320       4.376656  141.1483       4.339160  0.5805283      2.588113  
1 1 1 1   20 1  o 108.9018 1.204623  118.5520       2.622235  121.5600       3.786811  115.7810       3.634665  2.651169       2.409246  
1 1 1 1   20 2  o 92.40143 1.042538  85.02692       1.920226  89.95911       2.860484  80.98109       2.590731  4.854851       2.085075  
1 1 1 1   20 3  o 162.7203 1.727741  264.3363       5.610336  275.2234       8.270810  255.0571       7.635627  6.183594       3.455483  
1 1 1 1   20 4  o 185.8411 1.961211  345.7421       7.288012  342.0655       10.18565  349.5988       10.43239  -2.020981      3.922422  
1 1 1 1   20 5  o 294.3406 3.073748  867.9898       18.07244  846.0015       24.83557  892.7379       26.34802  -7.881989      6.147496  
1 1 1 1   20 6  f 76.03777 0.9013954 57.83423       1.370801  57.92649       1.938975  57.74204       1.938235  0.1212845      1.802791  
1 1 1 1   20 7  o 317.5276 3.315182  1010.753       21.02433  983.5870       28.84414  1041.547       30.70921  -9.045441      6.630364  
1 1 1 1   20 8  f 70.21449 0.8474785 49.25073       1.188962  47.93864       1.638512  50.70996       1.727943  -1.972427      1.694957  
1 1 1 1   20 9  o 73.24173 0.8789198 53.66000       1.287462  53.95395       1.823756  53.36797       1.817752  0.3999557      1.757840  
1 1 1 1   20 10 o 108.5108 1.197525  117.8190       2.598882  117.7805       3.671200  117.8577       3.679564  -0.3545380E-01 2.395050  
1 1 1 1   20 11 o 49.12896 0.7024946 24.07901       0.6891562 23.06664       0.9425985 25.24164       1.010131  -2.212807      1.404989  
1 1 1 1   20 12 o 238.1146 2.496907  568.3597       11.88637  577.3622       17.09748  559.9385       16.53630  3.635803       4.993814  
1 1 1 1   20 13 o 136.2032 1.465664  185.7050       3.992531  185.3900       5.633349  186.0229       5.659324  -0.2316895     2.931328  
1 1 1 1   20 14 o 127.7250 1.683251  165.5210       4.146199  154.9602       6.716784  172.0224       5.270126  -6.724251      3.366502  
1 1 1 1   20 15 o 148.3687 2.254366  220.6785       6.686823  217.1075       9.298460  224.5031       9.623086  -2.477097      4.508732  
1 1 1 1   20 16 o 33.78666 1.040268  11.31200       0.6993229 10.31240       0.9334480 12.59081       1.055799  -3.368916      2.080536  
1 1 1 1   20 17 o 187.9313 2.810632  354.1213       10.56411  354.1213       10.56411  ?              ?         ?              ?         
1 1 1 1   20 18 o 93.46764 1.307467  84.66016       2.221575  80.99446       2.613671  94.20277       4.217027  -7.011589      2.614933  
1 1 1 1   20 19 o 49.17212 0.9519848 23.78533       0.9274190 27.34696       1.436527  21.23994       1.214412  6.203651       1.903970  
1 1 1 1   20 20 o 141.3393 2.143473  200.3254       6.052129  195.1986       8.322637  206.0791       8.816724  -3.815063      4.286946  
1 1 1 1   20 21 f 26.26360 0.8694507 6.744251       0.4504784 8.533395       0.6944984 5.444766       0.5918807 5.877062       1.738901  
1 1 1 1   20 22 o 115.1040 1.536942  133.1972       3.361363  131.5440       5.712170  134.0729       4.157381  -1.182838      3.073884  
1 1 1 1   20 23 f 92.87274 1.057940  86.13855       1.961553  82.76561       2.678111  90.04221       2.881108  -3.908699      2.115880  
1 1 1 1   20 24 o 117.1406 1.285017  137.4848       3.010214  136.2176       4.218843  138.7989       4.296386  -1.097328      2.570035  
1 1 1 1   20 25 o 104.5611 1.165421  109.2154       2.431951  105.0659       3.311048  114.0765       3.583709  -4.294037      2.330842  
1 1 1 1   20 26 o 61.29517 0.7929950 37.37020       0.9682776 40.19410       1.450480  35.10021       1.300471  4.149334       1.585990  
1 1 1 1   20 27 o 42.04021 0.6874707 17.56811       0.5760766 19.30494       0.8573471 16.13849       0.7778350 3.763092       1.374941  
1 1 1 1   20 28 o 81.23651 1.322751  66.11287       2.147663  67.74696       3.107185  64.61803       2.971841  1.915970       2.645501  
1 1 1 1   20 29 o 121.8965 1.336468  148.9898       3.257487  147.1245       4.549068  150.9529       4.666750  -1.561043      2.672936  
1 1 1 1   20 30 o 78.12328 0.9350193 60.79833       1.455510  57.43808       1.958233  64.94636       2.175703  -4.791664      1.870039  
1 1 1 1   20 31 o 92.60243 1.060972  85.93027       1.964787  85.01466       2.755575  86.87720       2.802271  -1.002190      2.121944  
1 1 1 1   20 32 o 71.83871 0.8807315 51.33855       1.258676  55.01604       1.902096  48.47377       1.678815  4.538681       1.761463  
1 1 1 1   20 33 f 41.40280 0.7018983 17.05144       0.5790623 18.46265       0.8656268 15.90844       0.7790361 3.079536       1.403797  
1 1 1 1   20 34 o 80.44151 0.9572566 64.59055       1.535160  68.09838       2.283725  61.69867       2.073549  3.959808       1.914513  
1 1 1 1   20 35 o 106.0399 1.192073  112.4244       2.519398  118.3927       3.755117  107.5385       3.397585  5.075043       2.384145  
1 1 1 1   20 36 f 75.73547 0.9224867 57.44641       1.395928  58.74149       2.027874  56.28005       1.924464  1.614967       1.844973  
1 1 1 1   20 37 o 72.70757 0.8995863 52.52114       1.299301  57.01669       1.981714  49.13155       1.720772  5.395996       1.799173  
1 1 1 1   20 38 o 18.18794 0.9270709 3.317201       0.3351251 3.323264       0.5029977 3.312360       0.4493960 0.2392960E-01  1.854142  
1 1 1 1   20 39 o 40.30624 1.140710  15.82999       0.9019862 18.91448       1.460073  13.92632       1.147039  6.140728       2.281419  
1 1 1 1   20 40 o 72.84736 1.344608  53.36459       1.955318  54.57148       2.867483  52.31570       2.673203  1.512665       2.689216  
1 1 1 1   20 41 o 53.55166 0.7806515 28.70477       0.8349426 29.55435       1.219662  27.95548       1.145407  1.484436       1.561303  
1 1 1 1   20 42 o 49.34800 0.7630712 24.25663       0.7499596 26.07891       1.125288  22.80043       1.005927  3.308205       1.526142  
1 1 1 1   20 43 o 32.40413 0.7534763 10.53994       0.4871666 10.34845       0.7101431 10.71017       0.6695617 -0.5632629     1.506953  
1 1 1 1   20 44 f 59.21420 0.8252836 35.18672       0.9772252 34.85067       1.389733  35.51540       1.374405  -0.5635262     1.650567  
1 1 1 1   20 45 o 6.795520 1.807340  0.3336128      0.3382797 0.1959870      0.4748867 0.4753877      0.4819917 -1.093350      3.614680  
1 1 1 1   20 46 o 73.74799 1.269577  54.80541       1.870948  53.31110       2.581276  56.45940       2.715677  -2.101044      2.539153  
1 1 1 1   20 47 o 22.33677 1.091381  5.025319       0.4873855 4.959545       0.6957155 5.088710       0.6829948 -0.2919884     2.182762  
1 1 1 1   20 48 o 71.42465 1.256396  51.46856       1.793718  53.05180       2.591083  50.01158       2.485605  2.098854       2.512792  
1 1 1 1   20 49 o 36.27853 0.9892631 13.24075       0.7175608 13.39410       1.029828  13.09605       1.000381  0.4041176      1.978526  
1 1 1 1   20 50 o 73.67693 1.290586  54.91084       1.901479  55.76429       2.715927  54.09032       2.663048  1.118904       2.581171  
1 1 1 1   20 51 o 35.30696 1.022800  12.48910       0.7197521 13.35016       1.073694  11.78639       0.9699586 2.188576       2.045599  
1 1 1 1   21 0  o 149.2304 1.593574  222.9327       4.755971  224.2857       6.765676  221.6110       6.686935  0.8942261      3.187148  
1 1 1 1   21 1  o 93.31516 1.054967  86.51675       1.958280  81.67702       2.611091  92.73869       2.960566  -5.921295      2.109934  
1 1 1 1   21 2  o 137.8851 1.480879  190.2906       4.083539  191.7346       5.816533  188.8871       5.734338  1.030640       2.961757  
1 1 1 1   21 3  o 22.60987 0.7278474 5.100315       0.3287113 4.808450       0.4521591 5.427465       0.4787125 -1.368597      1.455695  
1 1 1 1   21 4  o 154.6913 1.648939  239.5127       5.100253  242.7895       7.312046  236.4080       7.117579  2.057541       3.297878  
1 1 1 1   21 5  o 86.09615 0.9872925 74.15469       1.699927  73.84808       2.388191  74.46960       2.420249  -0.3604355     1.974585  
1 1 1 1   21 6  o 236.0004 2.475640  557.7061       11.66996  574.3509       17.02914  542.9677       16.02430  6.608093       4.951281  
1 1 1 1   21 7  o 56.49693 0.7493243 31.87461       0.8459719 33.31897       1.226981  30.56585       1.167970  2.435772       1.498649  
1 1 1 1   21 8  o 142.2359 1.526611  202.0991       4.334840  209.5906       6.365447  195.6203       5.919586  4.898972       3.053222  
1 1 1 1   21 9  o 154.7601 1.650469  239.7481       5.106651  236.2699       7.107401  243.4598       7.342108  -2.315704      3.300938  
1 1 1 1   21 10 o 55.40257 0.9192450 30.78271       0.9568135 30.49397       1.665224  30.92503       1.169063  -0.3980141     1.838490  
1 1 1 1   21 11 o 191.7770 2.875719  369.5817       11.02891  366.7280       15.47133  372.5302       15.72628  -1.497055      5.751437  
1 1 1 1   21 12 o 114.0183 1.778205  130.2465       4.054499  131.3000       5.786062  129.2302       5.683178  0.9035339      3.556411  
1 1 1 1   21 13 o 45.91408 0.9182792 21.17633       0.8246570 21.50439       1.065079  20.68527       1.303069  0.8971176      1.836558  
1 1 1 1   21 14 o 167.8418 1.784636  282.2934       5.989792  285.2422       8.562198  279.4672       8.382357  1.712265       3.569271  
1 1 1 1   21 15 o 230.7726 2.427778  533.9369       11.18630  517.8951       15.29649  552.3785       16.40081  -7.397705      4.855556  
1 1 1 1   21 16 o 148.4127 1.590459  220.6579       4.719409  217.7667       6.576780  223.7271       6.776192  -1.998505      3.180918  
1 1 1 1   21 17 o 125.3813 1.362193  157.2744       3.412384  153.3620       4.699991  161.6359       4.962371  -3.287926      2.724385  
1 1 1 1   21 18 o 151.8560 1.625559  230.5836       4.926439  239.9422       7.257709  222.5873       6.708706  5.684204       3.251118  
1 1 1 1   21 19 o 205.1326 2.167119  422.7577       8.890863  421.8199       12.54314  423.7047       12.60424  -0.4547424     4.334239  
1 1 1 1   21 20 o 76.22722 0.9074645 57.50292       1.372737  63.34431       2.107125  53.19565       1.809396  6.646210       1.814929  
1 1 1 1   21 21 o 47.46489 0.7010491 22.52052       0.6651742 23.34828       0.9585060 21.75154       0.9238477 1.680958       1.402098  
1 1 1 1   21 22 o 38.88509 0.6831311 15.08853       0.5302081 14.51832       0.7226417 15.75341       0.7803318 -1.586346      1.366262  
1 1 1 1   21 23 o 130.7917 1.745860  169.8555       4.244275  166.6869       5.107807  176.9232       7.628594  -3.707550      3.491719  
1 1 1 1   21 24 o 109.5234 1.701017  120.3391       3.723199  117.7714       5.146551  123.1584       5.392879  -2.438110      3.402035  
1 1 1 1   21 25 f 47.58020 0.9510265 22.65357       0.9046707 23.44138       1.298690  21.91091       1.260940  1.606384       1.902053  
1 1 1 1   21 26 o 33.15115 0.8656592 10.81055       0.5689119 12.73507       0.8742999 9.397261       0.7492287 5.028244       1.731318  
1 1 1 1   21 27 f 85.75464 1.382977  73.74089       2.371097  72.51315       3.300515  75.05034       3.408569  -1.470406      2.765954  
1 1 1 1   21 28 o 37.53343 0.8011439 14.24470       0.5831645 13.51058       0.9352048 14.71177       0.7459556 -1.610291      1.602288  
1 1 1 1   21 29 o 107.9265 1.204741  116.7052       2.598610  114.0311       3.593693  119.6357       3.762067  -2.582298      2.409482  
1 1 1 1   21 30 o 49.91376 0.7380035 24.94212       0.7367246 24.80466       1.040920  25.08010       1.042855  -0.2758026     1.476007  
1 1 1 1   21 31 o 97.17232 1.107132  94.20242       2.142941  99.95773       3.209429  89.57236       2.878637  5.313705       2.214265  
1 1 1 1   21 32 o 81.97678 0.9713701 67.08274       1.587286  70.61314       2.363589  64.18268       2.142223  3.903244       1.942740  
1 1 1 1   21 33 o 121.1159 1.335451  147.2998       3.233099  144.1708       4.482704  150.6921       4.667475  -2.668068      2.670902  
1 1 1 1   21 34 f 27.41410 0.7415876 7.536479       0.4060979 7.183006       0.5783983 7.880131       0.5703055 -1.272100      1.483175  
1 1 1 1   21 35 f 71.68095 0.8931968 51.50789       1.280474  51.02450       1.807700  51.99467       1.814045  -0.6761093     1.786394  
1 1 1 1   21 36 o 115.7289 1.289130  134.6754       2.983747  134.5837       4.230669  134.7662       4.208727  -0.8216858E-01 2.578260  
1 1 1 1   21 37 o 65.94638 1.259506  43.71200       1.660466  41.93944       2.320095  45.57330       2.377464  -2.745964      2.519012  
1 1 1 1   21 38 o 28.04948 1.248471  7.794489       0.6926103 8.708718       1.081437  7.158704       0.9018399 2.732704       2.496943  
1 1 1 1   21 39 o 28.02101 0.7646392 7.802234       0.4265802 8.629029       0.6411895 7.145675       0.5713787 2.639421       1.529278  
1 1 1 1   21 40 o 113.9719 1.279590  130.5577       2.912526  134.6436       4.257879  126.9648       3.992760  3.319107       2.559180  
1 1 1 1   21 41 f 47.23478 0.7559314 22.35583       0.7134106 22.61438       1.034850  22.12167       0.9848374 0.5156746      1.511863  
1 1 1 1   21 42 o 51.75977 0.7854054 26.79121       0.8110279 27.96730       1.198727  25.79838       1.101380  2.081917       1.570811  
1 1 1 1   21 43 o 14.66038 1.172293  2.202055       0.3372144 1.773567       0.4883577 2.592543       0.4661999 -2.797662      2.344585  
1 1 1 1   21 44 o 63.51151 1.019976  40.66437       1.252852  40.98878       1.585385  40.12484       2.044527  0.7656975      2.039952  
1 1 1 1   21 45 o 38.60975 0.9641357 14.98437       0.7444067 14.65970       1.048865  15.31390       1.056678  -0.8456955     1.928271  
1 1 1 1   21 46 o 35.52034 0.9731835 12.67452       0.6909536 13.19560       0.9969693 12.19289       0.9584786 1.403435       1.946367  
1 1 1 1   21 47 o 44.46526 1.006078  19.69467       0.8898265 17.96149       1.185572  21.93049       1.346553  -4.427330      2.012157  
1 1 1 1   21 48 o 82.90750 1.400118  69.61951       2.321556  69.43422       3.270781  69.80764       3.295712  -0.2171097     2.800236  
1 1 1 1   21 49 o 68.90135 1.233538  47.92321       1.698068  46.60845       2.337608  49.39205       2.470784  -1.978500      2.467077  
1 1 1 1   21 50 o 51.88469 1.563047  0.000000       0.000000  ?              ?         27.14963       1.621964  ?              ?         
1 1 1 1   22 0  o 80.09323 0.9331492 63.51100       1.483823  69.62186       2.271786  58.96447       1.959551  6.646980       1.866298  
1 1 1 1   22 1  o 170.7907 1.812354  291.8258       6.182922  300.6824       9.018664  283.9717       8.492943  4.872025       3.624709  
1 1 1 1   22 2  o 62.07573 0.7863157 38.35672       0.9727795 36.39603       1.310545  40.76250       1.451694  -3.514687      1.572631  
1 1 1 1   22 3  o 34.00565 0.6630993 11.35625       0.4468347 9.757445       0.5886375 13.53029       0.6864092 -5.545969      1.326199  
1 1 1 1   22 4  o 124.5159 1.351143  155.2121       3.364683  156.0134       4.780139  154.4252       4.736917  0.6364441      2.702286  
1 1 1 1   22 5  o 115.9799 1.269535  134.1721       2.936602  140.8109       4.353362  128.6288       3.977948  5.241127       2.539071  
1 1 1 1   22 6  o 146.9919 1.930744  216.9069       5.359655  215.6142       9.238289  217.5627       6.580263  -0.7785950     3.861488  
1 1 1 1   22 7  o 130.1696 1.997769  167.9359       5.151952  183.7285       7.969450  156.5975       6.752712  10.36420       3.995538  
1 1 1 1   22 8  o 86.09494 1.408388  74.22454       2.425088  74.22096       3.423822  74.22814       3.435392  -0.3776550E-02 2.816776  
1 1 1 1   22 9  o 181.6849 2.731834  330.9347       9.903131  344.8829       14.62046  319.1102       13.46150  7.011978       5.463667  
1 1 1 1   22 10 o 152.6664 2.007320  232.8184       5.736175  231.0546       6.964213  236.5394       10.11533  -1.628067      4.014641  
1 1 1 1   22 11 o 37.92068 0.6594006 14.30691       0.4987398 13.20918       0.6768835 15.61069       0.7376810 -3.165340      1.318801  
1 1 1 1   22 12 o 72.70628 0.8731536 52.43764       1.261870  48.99829       1.675501  56.94511       1.918110  -5.458511      1.746307  
1 1 1 1   22 13 o 109.4128 1.207514  119.7828       2.640854  122.3876       3.813072  117.3817       3.661029  2.281677       2.415029  
1 1 1 1   22 14 o 48.84318 0.7012498 23.67647       0.6818287 21.94479       0.9119633 25.87132       1.026706  -4.016834      1.402500  
1 1 1 1   22 15 o 24.19043 0.7035162 5.842407       0.3400127 5.555182       0.4685706 6.161848       0.4941497 -1.253319      1.407032  
1 1 1 1   22 16 o 101.3266 1.131860  102.2183       2.283556  96.95126       3.060320  108.8350       3.430090  -5.848732      2.263721  
1 1 1 1   22 17 o 98.84521 1.109262  97.46624       2.186368  93.27103       2.957425  102.5225       3.246774  -4.666733      2.218524  
1 1 1 1   22 18 o 105.7809 1.176121  111.6356       2.480480  117.6143       3.687735  106.6957       3.352094  5.143600       2.352241  
1 1 1 1   22 19 o 85.13948 0.9858984 72.24953       1.673389  76.54847       2.490741  68.71263       2.259222  4.591423       1.971797  
1 1 1 1   22 20 f 31.69502 0.6734294 10.04077       0.4266364 9.724568       0.5911773 10.38443       0.6163175 -1.040169      1.346859  
1 1 1 1   22 21 o 62.35396 0.7990419 38.63471       0.9921631 41.93692       1.490314  36.00610       1.329651  4.749401       1.598084  
1 1 1 1   22 22 o 112.8636 1.246342  127.6454       2.812791  126.2236       3.931746  129.1360       4.025693  -1.284088      2.492685  
1 1 1 1   22 23 o 101.5336 1.140086  102.8401       2.307295  108.6429       3.438204  98.08572       3.112126  5.178658       2.280171  
1 1 1 1   22 24 o 47.92450 0.7331841 22.97016       0.7024311 23.55082       1.012222  22.43078       0.9755672 1.167030       1.466368  
1 1 1 1   22 25 o 16.26889 0.9640457 2.695559       0.3027169 1.860390       0.4219891 3.580972       0.4344974 -5.287230      1.928091  
1 1 1 1   22 26 o 15.09913 0.9947721 2.258474       0.2946874 2.950054       0.4416120 1.703316       0.3956653 4.125392       1.989544  
1 1 1 1   22 27 o 58.60766 0.7922032 34.39127       0.9285803 34.39201       1.311505  34.39054       1.314923  0.1445770E-02  1.584406  
1 1 1 1   22 28 o 100.7280 1.394570  100.0367       2.598486  97.16499       3.107596  106.7112       4.737728  -4.570694      2.789140  
1 1 1 1   22 29 o 18.93097 0.9998305 3.562850       0.3741620 2.864356       0.5064834 4.402020       0.5551485 -4.057266      1.999661  
1 1 1 1   22 30 o 74.50331 1.249712  55.44999       1.855583  58.86432       2.768930  52.66666       2.500008  4.129883       2.499424  
1 1 1 1   22 31 o 71.59583 1.219018  51.46777       1.745530  51.57721       2.470852  51.35874       2.466259  0.1520386      2.438037  
1 1 1 1   22 32 o 42.31082 0.9324446 17.93200       0.7886890 17.27086       1.097518  18.63799       1.134132  -1.612011      1.864889  
1 1 1 1   22 33 o 18.86846 1.001113  3.510910       0.3656542 3.805398       0.6083469 3.344342       0.4575240 1.205517       2.002227  
1 1 1 1   22 34 o 42.50030 1.493653  16.64693       0.7716072 20.23381       2.514369  16.27402       0.8107259 4.385284       2.987305  
1 1 1 1   22 35 o 44.51020 1.147316  19.97200       1.017435  18.86846       1.478228  20.96536       1.402497  -2.366314      2.294631  
1 1 1 1   22 36 o 48.85567 0.7547889 23.84530       0.7362773 22.14877       1.011261  25.75917       1.074083  -3.688648      1.509578  
1 1 1 1   22 37 f 41.65979 1.144484  17.46416       0.9510355 17.13325       1.389268  17.75600       1.304651  -0.7606506     2.288967  
1 1 1 1   22 38 o 35.96512 0.7388221 12.95969       0.5309309 13.05600       0.7690716 12.87200       0.7338644 0.2520332      1.477644  
1 1 1 1   22 39 o 64.69316 0.8537677 41.89114       1.102665  43.39798       1.618649  40.58635       1.506222  2.158775       1.707535  
1 1 1 1   22 40 o 39.94859 0.7498548 15.95298       0.5974959 16.62430       0.8845003 15.38951       0.8103359 1.536259       1.499710  
1 1 1 1   22 41 o 84.83038 1.020009  71.99064       1.723798  76.08361       2.578184  68.68169       2.318137  4.316063       2.040018  
1 1 1 1   22 42 f 24.45825 0.8731207 5.991437       0.4265940 6.300087       0.6218455 5.717053       0.5863114 1.186371       1.746241  
1 1 1 1   22 43 o 97.09357 1.442547  95.71066       2.778843  98.69334       3.737574  92.02402       4.155287  3.549240       2.885094  
1 1 1 1   22 44 f 34.18539 0.9654574 11.67188       0.6579014 12.96673       0.9750049 10.58951       0.8914284 3.460812       1.930915  
1 1 1 1   22 45 o 66.08618 1.194303  44.06508       1.578481  43.91972       2.221370  44.21334       2.243412  -0.2162781     2.388607  
1 1 1 1   22 46 o 30.26361 1.004287  9.166582       0.6061950 9.981040       0.8974221 8.483105       0.8220999 2.458025       2.008574  
1 1 1 1   22 47 o 75.24757 1.303774  57.26258       1.961905  56.87455       2.750960  57.66421       2.798765  -0.5099106     2.607548  
1 1 1 1   22 48 o 10.02632 1.934292  1.070781       0.4123518 0.7013667      0.5990977 1.403329       0.5684180 -2.941751      3.868583  
1 1 1 1   22 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   23 0  o 121.7500 1.325736  148.4411       3.228148  148.8302       4.575204  148.0552       4.555439  0.3175278      2.651472  
1 1 1 1   23 1  f 63.21667 0.7941278 39.57701       0.9974810 43.51809       1.520540  36.59975       1.321592  5.467361       1.588256  
1 1 1 1   23 2  o 77.51291 1.131385  58.44068       1.597641  64.26585       3.013978  56.16428       1.884124  5.189079       2.262771  
1 1 1 1   23 3  o 99.63725 1.579988  99.28226       3.143536  96.10773       4.302180  102.9186       4.604462  -3.403633      3.159977  
1 1 1 1   23 4  o 122.1667 1.886506  149.6985       4.609270  149.1686       6.493858  150.2366       6.543408  -0.4342880     3.773012  
1 1 1 1   23 5  f 44.90825 0.9735069 20.17011       0.8739989 19.71086       1.214556  20.66333       1.258666  -1.059132      1.947014  
1 1 1 1   23 6  o 139.2783 1.628150  192.1194       4.418126  184.6333       5.594929  204.5206       7.201077  -7.056335      3.256300  
1 1 1 1   23 7  o 116.2858 1.273054  135.4261       2.960756  135.3871       4.182299  135.4653       4.192000  -0.3324890E-01 2.546108  
1 1 1 1   23 8  o 114.9745 1.261893  131.9404       2.893695  126.7230       3.921108  138.1801       4.288075  -4.967026      2.523787  
1 1 1 1   23 9  o 153.3852 1.640620  235.6830       5.029473  231.0068       6.959851  240.7941       7.276189  -3.172913      3.281240  
1 1 1 1   23 10 o 36.67107 0.6525103 13.45467       0.4784656 13.78765       0.6772826 13.12294       0.6760242 0.9062843      1.305021  
1 1 1 1   23 11 o 40.58189 0.6631882 16.23520       0.5343027 18.95371       0.8134263 14.17218       0.7086079 5.888729       1.326376  
1 1 1 1   23 12 o 86.21706 0.9911929 74.41261       1.709153  74.56107       2.418446  74.26450       2.415771  0.1718750      1.982386  
1 1 1 1   23 13 o 74.81296 0.8918318 56.01947       1.334378  56.36143       1.895330  55.68339       1.878968  0.4525528      1.783664  
1 1 1 1   23 14 o 87.89445 1.007186  77.32767       1.770137  78.44897       2.535671  76.26176       2.472237  1.241425       2.014371  
1 1 1 1   23 15 o 62.36354 0.7961890 38.66319       0.9885141 36.35300       1.323097  41.58189       1.487185  -4.186378      1.592378  
1 1 1 1   23 16 o 69.89346 0.8566192 48.83591       1.196266  47.58348       1.648282  50.22984       1.738904  -1.889557      1.713238  
1 1 1 1   23 17 o 44.45134 0.6890284 19.65995       0.6108221 21.58995       0.9032888 18.03384       0.8291332 3.997555       1.378057  
1 1 1 1   23 18 o 32.94370 0.6667066 10.77895       0.4367779 12.54717       0.6464900 9.294042       0.5924380 4.935595       1.333413  
1 1 1 1   23 19 o 56.19380 0.7542973 31.60378       0.8477160 31.54498       1.194200  31.66350       1.203558  -0.1050911     1.508595  
1 1 1 1   23 20 o 70.05475 0.8597580 49.08227       1.203842  50.51406       1.740762  47.76982       1.666636  1.955177       1.719516  
1 1 1 1   23 21 o 88.41968 1.019211  78.30917       1.802364  78.43601       2.551593  78.18286       2.546271  0.1428452      2.038423  
1 1 1 1   23 22 o 56.93254 0.9705501 31.62286       1.068364  35.68787       1.795792  29.39590       1.329174  5.498535       1.941100  
1 1 1 1   23 23 o 78.61847 0.9365915 61.90001       1.472494  62.60915       2.102217  61.21697       2.063175  0.8829651      1.873183  
1 1 1 1   23 24 o 108.0065 1.205145  116.8453       2.600776  113.8537       3.584569  120.1707       3.779255  -2.907852      2.410290  
1 1 1 1   23 25 o 12.28896 1.153126  1.509039       0.2828396 1.647848       0.4128026 1.386212       0.3883111 1.062518       2.306253  
1 1 1 1   23 26 o 59.66080 0.7909216 35.41254       0.9400344 33.13649       1.262788  38.24145       1.407825  -4.269375      1.581843  
1 1 1 1   23 27 o 82.65422 0.9782375 68.08028       1.610819  64.26908       2.164839  72.80784       2.411090  -5.145218      1.956475  
1 1 1 1   23 28 o 28.77172 0.7330754 8.287663       0.4217532 8.367995       0.6035789 8.211016       0.5895662 0.2718868      1.466151  
1 1 1 1   23 29 o 71.76814 0.8907805 51.54842       1.277502  49.94550       1.762649  53.32206       1.854143  -2.344429      1.781561  
1 1 1 1   23 30 o 17.61128 0.9222656 3.098695       0.3239501 3.247198       0.4800534 2.974523       0.4389678 0.7701931      1.844531  
1 1 1 1   23 31 o 63.94418 0.9243665 40.23889       1.145837  43.99999       1.902532  38.09811       1.435359  4.568378       1.848733  
1 1 1 1   23 32 f 20.33341 1.640949  4.172518       0.6667128 4.390934       0.9452903 3.956321       0.9404768 1.067804       3.281899  
1 1 1 1   23 33 o 36.93818 0.9378909 14.09492       0.6497759 14.98276       0.8060115 12.44682       1.098161  3.465530       1.875782  
1 1 1 1   23 34 o 63.87593 0.9175332 40.71244       1.155905  39.67406       1.505232  42.20490       1.804579  -1.944904      1.835066  
1 1 1 1   23 35 o 34.63425 0.8506544 12.11590       0.5801556 12.57690       0.7651569 11.49247       0.8898075 1.579872       1.701309  
1 1 1 1   23 36 o 24.35162 1.519661  5.957641       0.7401240 5.957641       0.7401240 ?              ?         ?              ?         
1 1 1 1   23 37 f 43.44122 0.9687730 18.93015       0.8413559 19.50058       1.210625  18.39724       1.170122  1.264160       1.937546  
1 1 1 1   23 38 o 18.99901 1.150156  3.563774       0.4296904 4.629607       0.6537392 2.753079       0.5701492 4.923376       2.300312  
1 1 1 1   23 39 o 32.02666 0.9488435 10.30238       0.6077572 10.34384       0.8623292 10.26146       0.8566953 0.1276836      1.897687  
1 1 1 1   23 40 o 51.85673 0.9248140 25.64075       0.8862525 30.58002       1.656031  23.65837       1.049134  6.575035       1.849628  
1 1 1 1   23 41 o 39.06399 0.7960899 15.29265       0.6216122 15.92045       0.8967149 14.71188       0.8624696 1.541908       1.592180  
1 1 1 1   23 42 o 66.64163 1.108757  44.81816       1.468048  45.66315       1.977040  43.77962       2.191797  1.460205       2.217514  
1 1 1 1   23 43 o 31.95995 0.9920559 10.16842       0.6300160 8.730514       0.8477992 11.94176       0.9415045 -5.004534      1.984112  
1 1 1 1   23 44 o 51.66271 1.056287  26.85713       1.090950  26.18791       1.516096  27.57575       1.571044  -1.330296      2.112574  
1 1 1 1   23 45 o 50.14790 1.048697  25.18490       1.048639  27.22758       1.558126  23.49361       1.417788  3.689465       2.097394  
1 1 1 1   23 46 o 22.70769 1.120560  5.172818       0.5069355 5.521343       0.7586035 4.891604       0.6814215 1.365238       2.241120  
1 1 1 1   23 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   23 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   24 0  o 74.59563 1.264665  55.42271       1.879924  59.35746       2.808584  52.22892       2.530359  4.765404       2.529329  
1 1 1 1   24 1  o 41.23494 0.8165037 16.94419       0.6302770 16.81578       0.7651849 17.21514       1.111527  -0.4741287     1.633007  
1 1 1 1   24 2  o 76.08313 0.9027458 57.86286       1.372351  56.37649       1.891325  59.51562       1.994369  -2.059555      1.805492  
1 1 1 1   24 3  o 89.57010 1.024040  80.16933       1.831888  77.69404       2.511507  82.98338       2.677850  -2.946259      2.048080  
1 1 1 1   24 4  o 135.9148 1.468026  185.1563       3.990466  184.6889       5.624723  185.6300       5.662206  -0.3440857     2.936053  
1 1 1 1   24 5  o 75.33767 0.8984674 56.77156       1.353234  58.11350       1.947576  55.51894       1.881649  1.719620       1.796935  
1 1 1 1   24 6  o 86.75719 0.9990390 75.34807       1.733264  74.92909       2.429510  75.78236       2.473494  -0.4899597     1.998078  
1 1 1 1   24 7  o 82.78961 0.9621863 68.50984       1.591228  66.57043       2.186026  70.69553       2.320677  -2.485802      1.924373  
1 1 1 1   24 8  o 135.1026 1.460572  182.9856       3.946116  181.5281       5.532235  184.4954       5.630361  -1.091888      2.921144  
1 1 1 1   24 9  o 104.9955 1.168379  110.0741       2.447357  115.2711       3.618804  105.6937       3.322341  4.545380       2.336758  
1 1 1 1   24 10 o 157.6736 1.686513  249.3904       5.316160  245.4943       7.391579  253.5654       7.651528  -2.539627      3.373026  
1 1 1 1   24 11 o 104.2457 1.162052  108.7973       2.421563  106.9305       3.361411  110.8115       3.491508  -1.854546      2.324104  
1 1 1 1   24 12 f 18.29246 0.8346841 3.299938       0.3004047 2.550388       0.4011791 4.256657       0.4532421 -4.661833      1.669368  
1 1 1 1   24 13 o 96.58428 1.089976  93.43761       2.105477  93.40848       2.972034  93.46694       2.983185  -0.2967834E-01 2.179951  
1 1 1 1   24 14 o 75.57053 0.9013595 57.04806       1.360297  59.44284       1.991129  54.95205       1.862780  2.965408       1.802719  
1 1 1 1   24 15 o 110.5384 1.221905  122.4490       2.701174  121.6985       3.794379  123.2201       3.846223  -0.6849518     2.443810  
1 1 1 1   24 16 o 88.02784 1.011398  77.60330       1.780516  78.16650       2.535033  77.05496       2.501363  0.6295319      2.022796  
1 1 1 1   24 17 o 34.22338 0.6705171 11.71924       0.4587352 12.21319       0.6530660 11.23814       0.6445174 1.424225       1.341034  
1 1 1 1   24 18 o 19.49484 0.8165957 3.735672       0.3093805 2.640975       0.4102151 5.179721       0.4711461 -6.508533      1.633191  
1 1 1 1   24 19 o 47.83849 0.7135711 22.89265       0.6824834 22.43760       0.9498947 23.37820       0.9812223 -0.9817200     1.427142  
1 1 1 1   24 20 o 18.74907 0.9995390 3.500233       0.3729098 4.038992       0.5494985 3.040278       0.5077235 2.660566       1.999078  
1 1 1 1   24 21 f 120.8860 1.328826  146.4320       3.208971  150.8975       4.676310  142.4578       4.411590  3.466057       2.657652  
1 1 1 1   24 22 f 106.6032 1.191648  113.9430       2.540329  112.7787       3.557420  115.1544       3.628779  -1.108261      2.383297  
1 1 1 1   24 23 o 118.0872 1.302985  139.9350       3.076991  141.1180       4.390044  138.7927       4.313998  0.9770813      2.605970  
1 1 1 1   24 24 o 54.87010 0.7622965 30.03682       0.8347760 31.86873       1.230477  28.47474       1.136248  3.086872       1.524593  
1 1 1 1   24 25 o 40.86020 0.7059615 16.63516       0.5755183 18.04839       0.8491321 15.43432       0.7827287 3.194759       1.411923  
1 1 1 1   24 26 o 58.80793 0.7944263 34.47157       0.9316215 36.84201       1.384027  32.50773       1.259748  3.675964       1.588853  
1 1 1 1   24 27 o 35.47128 0.7082771 12.55065       0.5014534 13.44345       0.7378291 11.78427       0.6835963 2.334866       1.416554  
1 1 1 1   24 28 o 126.9723 1.397598  161.9350       3.545552  157.5288       4.883295  166.8473       5.156161  -3.629478      2.795196  
1 1 1 1   24 29 o 43.94027 1.159014  19.38670       1.018466  19.73326       1.445641  19.04519       1.435075  0.7816162      2.318029  
1 1 1 1   24 30 o 56.63476 1.091775  32.40649       1.203713  33.13736       1.544893  31.27725       1.920318  1.689552       2.183551  
1 1 1 1   24 31 o 52.69777 0.7733564 27.81745       0.8148560 28.29393       1.169327  27.36763       1.136150  0.8756981      1.546713  
1 1 1 1   24 32 o 71.23979 0.8997459 50.90422       1.281938  50.95091       1.817843  50.85804       1.808065  0.6401825E-01  1.799492  
1 1 1 1   24 33 o 86.29330 1.022349  74.71616       1.763823  72.88993       2.455347  76.66347       2.535425  -2.175323      2.044699  
1 1 1 1   24 34 f 84.84256 1.290364  69.44894       1.933882  78.95005       3.862894  66.27124       2.233994  7.178505       2.580728  
1 1 1 1   24 35 o 12.37049 1.322946  1.526981       0.3254949 1.769017       0.4854923 1.329356       0.4386954 1.768005       2.645893  
1 1 1 1   24 36 o 54.27225 0.7940708 29.36847       0.8583233 31.31893       1.287084  27.80635       1.151849  3.219379       1.588142  
1 1 1 1   24 37 o 48.98342 0.7685809 23.97656       0.7514392 22.07212       1.030506  26.13905       1.098103  -4.142406      1.537162  
1 1 1 1   24 38 o 69.90244 0.8991888 49.04729       1.256550  49.48403       1.807536  48.63883       1.748019  0.5951233      1.798378  
1 1 1 1   24 39 o 17.64274 1.054647  3.158533       0.3687189 2.773690       0.5344554 3.508063       0.5093451 -2.085957      2.109293  
1 1 1 1   24 40 o 25.87425 0.8644273 6.727300       0.4468135 6.357259       0.6319574 7.097183       0.6318220 -1.429869      1.728855  
1 1 1 1   24 41 o 25.60490 0.9850271 6.603853       0.5020978 6.722457       0.6817040 6.463224       0.7423077 0.5181828      1.970054  
1 1 1 1   24 42 o 25.16212 1.053666  6.384264       0.5291262 6.223295       0.7679240 6.529767       0.7301027 -0.6178722     2.107331  
1 1 1 1   24 43 o 32.11975 1.001560  10.29334       0.6403652 11.75746       0.9536502 9.091077       0.8641731 4.130869       2.003120  
1 1 1 1   24 44 f 18.55770 1.460418  3.708288       0.4809667 2.038432       0.6763550 5.416559       0.6840904 -9.264071      2.920836  
1 1 1 1   24 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   24 46 o 16.26180 1.882033  0.000000       0.000000  ?              ?         2.677164       0.6121047 ?              ?         
1 1 1 1   25 0  f 104.9565 1.167432  110.2693       2.449185  112.7968       3.537059  107.9412       3.394670  2.305443       2.334864  
1 1 1 1   25 1  o 45.61111 0.6884377 20.75641       0.6268445 19.86850       0.8552542 21.78703       0.9214234 -2.101025      1.376875  
1 1 1 1   25 2  o 136.7575 1.477940  187.5402       4.041865  186.0770       5.662370  189.0603       5.771309  -1.083252      2.955881  
1 1 1 1   25 3  o 19.40762 0.7878107 3.746202       0.3038788 3.197310       0.4137450 4.389077       0.4477677 -3.069103      1.575621  
1 1 1 1   25 4  o 175.4377 1.867206  308.9429       6.546487  302.5095       9.047526  316.0122       9.484162  -3.809616      3.734411  
1 1 1 1   25 5  o 49.75858 0.7131596 24.77388       0.7096131 24.64360       0.9940021 24.90929       1.013367  -0.2663155     1.426319  
1 1 1 1   25 6  o 134.6753 1.458511  181.0493       3.913230  172.7958       5.263039  191.2532       5.851978  -6.810638      2.917022  
1 1 1 1   25 7  o 82.87885 0.9654351 68.67453       1.598622  70.99780       2.326280  66.59563       2.200542  2.649750       1.930870  
1 1 1 1   25 8  o 94.02161 1.067488  88.48566       2.006249  86.83554       2.782642  90.27205       2.895235  -1.821396      2.134976  
1 1 1 1   25 9  o 57.33637 0.7615798 32.82645       0.8719531 31.61006       1.193064  34.22114       1.277520  -2.273647      1.523160  
1 1 1 1   25 10 f 35.19198 0.6697919 12.32605       0.4699809 11.55156       0.6349991 13.26423       0.6988921 -2.431049      1.339584  
1 1 1 1   25 11 o 96.82623 1.093266  93.85457       2.115869  92.03041       2.931937  95.83705       3.056532  -1.958359      2.186531  
1 1 1 1   25 12 o 50.77515 0.7207569 25.76180       0.7312075 24.93562       1.007074  26.68297       1.063389  -1.718456      1.441514  
1 1 1 1   25 13 o 86.98753 1.005455  75.75259       1.748688  77.21205       2.511907  74.38015       2.435881  1.623489       2.010910  
1 1 1 1   25 14 o 48.58265 0.7103316 23.60123       0.6898421 22.97152       0.9570276 24.28227       0.9952636 -1.347404      1.420663  
1 1 1 1   25 15 o 86.39106 1.000906  74.19250       1.719648  69.69992       2.289500  80.00765       2.604794  -5.946243      2.001812  
1 1 1 1   25 16 o 78.43736 0.9330941 61.59055       1.463205  62.79066       2.105715  60.47004       2.034682  1.474869       1.866188  
1 1 1 1   25 17 o 30.30347 0.6944956 9.189760       0.4205912 9.691152       0.6000678 8.705577       0.5896799 1.625668       1.388991  
1 1 1 1   25 18 o 31.38074 0.8416914 10.01506       0.5198385 11.56028       0.7164236 8.296896       0.7554535 5.201923       1.683383  
1 1 1 1   25 19 o 82.21959 0.9695788 67.56441       1.591651  70.45745       2.335330  65.05482       2.175074  3.274376       1.939158  
1 1 1 1   25 20 o 53.94083 0.7547842 29.11661       0.8139989 28.54699       1.133292  29.72364       1.169918  -1.088547      1.509568  
1 1 1 1   25 21 o 25.79014 0.7251607 6.658463       0.3740086 6.583492       0.5247955 6.735843       0.5331598 -0.2948666     1.450321  
1 1 1 1   25 22 o 52.94244 0.7542198 27.52974       0.7903011 32.03477       1.230079  24.36297       1.031317  7.232544       1.508440  
1 1 1 1   25 23 f 30.42418 0.7130147 9.256570       0.4335513 8.814309       0.6017276 9.734030       0.6252151 -1.509966      1.426029  
1 1 1 1   25 24 o 79.04681 0.9490140 62.61356       1.499890  63.77139       2.153292  61.52233       2.090434  1.416702       1.898028  
1 1 1 1   25 25 f 91.58504 1.150078  84.13327       2.080311  84.66093       3.209584  83.75100       2.731833  0.4396744      2.300155  
1 1 1 1   25 26 o 30.88564 1.213859  9.575682       0.7495582 9.917843       1.074365  9.251186       1.046264  1.075600       2.427719  
1 1 1 1   25 27 o 89.46825 1.370973  80.87431       2.414250  82.59779       3.165309  78.47713       3.733030  2.390114       2.741945  
1 1 1 1   25 28 o 39.10424 0.7301562 15.30819       0.5708229 15.71067       0.8213322 14.93215       0.7938976 0.9930573      1.460312  
1 1 1 1   25 29 o 84.36841 1.002965  71.43291       1.692298  71.82048       2.406811  71.05394       2.379956  0.4508743      2.005931  
1 1 1 1   25 30 o 16.94876 1.019781  2.882060       0.3448558 2.909757       0.5065617 2.858135       0.4707993 0.1474228      2.039561  
1 1 1 1   25 31 o 50.56113 0.7686817 25.61750       0.7772157 25.94370       1.109683  25.30341       1.088909  0.6310081      1.537363  
1 1 1 1   25 32 f 26.87983 0.8104249 7.256184       0.4349658 6.892897       0.6216609 7.604609       0.6088097 -1.325359      1.620850  
1 1 1 1   25 33 o 29.54871 1.515355  9.074252       0.7284820 9.273780       0.8244354 8.363643       1.555863  1.692640       3.030711  
1 1 1 1   25 34 o 11.66301 1.378850  1.356461       0.3107637 1.701278       0.4834915 1.113729       0.4056559 2.662024       2.757700  
1 1 1 1   25 35 o 37.84269 0.7425426 14.16569       0.5574924 15.90812       0.8573551 12.88925       0.7338102 3.972988       1.485085  
1 1 1 1   25 36 o 23.74977 0.8505024 5.432112       0.3952307 7.289939       0.6317354 4.237269       0.5066267 6.408051       1.701005  
1 1 1 1   25 37 o 78.60849 0.9701205 62.02939       1.523775  63.34940       2.211802  60.83691       2.102255  1.579117       1.940241  
1 1 1 1   25 38 o 63.42105 0.9088966 40.33114       1.150833  43.85494       1.662464  37.08876       1.594699  5.322609       1.817793  
1 1 1 1   25 39 o 29.60625 0.8321297 8.790404       0.4924684 8.473045       0.6838746 9.132242       0.7097574 -1.108976      1.664259  
1 1 1 1   25 40 o 36.21423 0.9086765 13.25763       0.6541592 14.20378       0.8996333 12.19611       0.9529051 2.782383       1.817353  
1 1 1 1   25 41 o 32.90018 0.9819256 10.89720       0.6453627 10.29072       0.9123361 11.50459       0.9130258 -1.844625      1.963851  
1 1 1 1   25 42 o 32.14427 1.362066  0.000000       0.000000  ?              ?         10.39475       0.8756525 ?              ?         
1 1 1 1   25 43 o 64.01240 2.397549  41.80466       3.069457  41.80466       3.069457  ?              ?         ?              ?         
1 1 1 1   25 44 o 30.43581 1.019492  9.328547       0.6201669 9.798374       0.8838101 8.872828       0.8704396 1.517160       2.038985  
1 1 1 1   25 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   26 0  o 93.04738 1.496928  86.87042       2.785484  86.38190       3.910522  87.37357       3.968659  -0.5281448     2.993856  
1 1 1 1   26 1  o 51.06140 1.016487  25.94678       1.034563  28.28313       1.541495  24.03188       1.395554  4.154785       2.032974  
1 1 1 1   26 2  o 104.9762 1.429129  111.3183       2.868001  107.8834       4.786139  113.2427       3.582420  -2.645370      2.858259  
1 1 1 1   26 3  o 107.7265 1.292813  116.6010       2.767400  114.0358       4.131320  118.6889       3.727196  -2.188293      2.585626  
1 1 1 1   26 4  o 79.15364 0.9366611 62.69139       1.481927  61.43518       2.053614  64.05630       2.140614  -1.651222      1.873322  
1 1 1 1   26 5  o 58.56946 0.7725332 33.87956       0.8971795 31.02922       1.178378  37.81061       1.383853  -5.780323      1.545066  
1 1 1 1   26 6  f 77.64529 0.9216127 60.36990       1.431159  60.39062       2.019034  60.34898       2.028932  0.2732849E-01  1.843225  
1 1 1 1   26 7  o 132.3407 1.436808  175.7037       3.802464  174.1870       5.326156  177.2803       5.430350  -1.160049      2.873617  
1 1 1 1   26 8  o 177.8629 1.895597  318.2385       6.742803  320.0143       9.592216  316.5039       9.480294  0.9742584      3.791193  
1 1 1 1   26 9  o 62.29592 0.8066919 38.20559       0.9946448 34.58138       1.297486  43.37088       1.548972  -7.042156      1.613384  
1 1 1 1   26 10 o 191.7461 2.039950  370.4264       7.822659  372.5935       11.12971  368.3105       10.99730  1.099472       4.079900  
1 1 1 1   26 11 o 64.56325 0.8234280 41.69105       1.062400  40.63195       1.467006  42.85912       1.540618  -1.720711      1.646856  
1 1 1 1   26 12 o 70.01976 0.8645846 48.51994       1.201382  53.72291       1.844398  44.68557       1.583345  6.437637       1.729169  
1 1 1 1   26 13 o 51.71523 0.7343513 26.74239       0.7590165 25.96557       1.049752  27.59342       1.098746  -1.571339      1.468703  
1 1 1 1   26 14 o 16.63522 0.9547195 2.804544       0.3026045 3.979793       0.4436370 1.781999       0.4138128 6.603940       1.909439  
1 1 1 1   26 15 o 113.9644 1.777259  130.7098       4.050698  131.5759       5.762273  129.8636       5.695415  0.7426376      3.554518  
1 1 1 1   26 16 o 38.82895 0.6873674 15.08758       0.5336141 14.91781       0.7433919 15.26804       0.7664239 -0.4497681     1.374735  
1 1 1 1   26 17 o 47.10535 0.7190884 22.07214       0.6752362 24.18438       1.004426  20.33039       0.9120941 4.085400       1.438177  
1 1 1 1   26 18 o 41.94809 0.6988136 17.54382       0.5850601 18.94174       0.8601304 16.34013       0.7981423 3.097328       1.397627  
1 1 1 1   26 19 o 68.63686 0.8572576 46.96944       1.172981  44.51952       1.583091  49.95171       1.746631  -3.944839      1.714515  
1 1 1 1   26 20 o 56.94683 0.7745139 32.41923       0.8811439 31.19751       1.211700  33.79037       1.283662  -2.271339      1.549028  
1 1 1 1   26 21 o 65.17371 0.8364124 42.53661       1.089842  41.70870       1.516380  43.42120       1.567425  -1.309502      1.672825  
1 1 1 1   26 22 o 70.89392 1.101240  50.66486       1.466088  49.77825       2.547481  51.10394       1.792726  -1.020226      2.202479  
1 1 1 1   26 23 o 34.01708 1.187571  11.40152       0.7920305 15.10287       1.205786  8.592571       1.050419  9.549780       2.375142  
1 1 1 1   26 24 o 27.27837 1.056105  7.417048       0.5020527 7.365375       0.5806597 7.570083       0.9992718 -0.3273582     2.112210  
1 1 1 1   26 25 o 67.94385 0.8649189 46.26582       1.175132  46.98983       1.680286  45.57267       1.644081  1.039207       1.729838  
1 1 1 1   26 26 o 69.98364 0.8845849 49.09958       1.237934  48.47054       1.731992  49.75655       1.770033  -0.9146194     1.769170  
1 1 1 1   26 27 o 12.42871 1.413419  1.708189       0.3165511 0.7943873      0.4497580 2.605222       0.4456124 -7.367079      2.826839  
1 1 1 1   26 28 f 7.158595 1.703135  0.4817303      0.2878388 0.5300907      0.4255484 0.4409454      0.3907991 0.5280428      3.406271  
1 1 1 1   26 29 o 82.06174 0.9877197 67.58672       1.620902  66.88346       2.271882  68.31583       2.313283  -0.8670959     1.975439  
1 1 1 1   26 30 o 41.16373 0.7513273 16.96400       0.6181111 17.50168       0.8949867 16.47364       0.8546875 1.244320       1.502655  
1 1 1 1   26 31 o 79.97526 1.436089  64.50478       2.296744  64.81485       3.277389  64.20557       3.219556  0.3686981      2.872178  
1 1 1 1   26 32 o 84.12881 1.012083  70.99061       1.701214  68.71763       2.342873  73.52567       2.474262  -2.836494      2.024167  
1 1 1 1   26 33 o 53.50341 0.8009027 28.70541       0.8568517 28.18548       1.197390  29.25108       1.226684  -0.9917679     1.601805  
1 1 1 1   26 34 o 37.12474 0.7418793 13.61912       0.5466602 15.59910       0.8374851 12.14923       0.7215858 4.631157       1.483759  
1 1 1 1   26 35 o 22.04803 0.8841963 4.848827       0.3876742 5.164803       0.5867746 4.604056       0.5164433 1.260530       1.768393  
1 1 1 1   26 36 o 13.69293 1.243680  1.886643       0.3397886 1.944842       0.5009126 1.837038       0.4624552 0.3845644      2.487359  
1 1 1 1   26 37 o 49.12311 0.7853469 23.92582       0.7658405 26.58902       1.173796  21.95182       1.010566  4.694408       1.570694  
1 1 1 1   26 38 o 12.70685 1.493180  1.666874       0.3693602 1.760782       0.5100318 1.563309       0.5356152 0.9769754      2.986359  
1 1 1 1   26 39 o 34.93416 0.9093674 12.32366       0.6321181 13.53114       0.8847307 11.06450       0.9034638 3.534172       1.818735  
1 1 1 1   26 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   26 41 o 38.57909 0.9999207 14.81993       0.7672245 16.94107       1.155979  13.14995       1.025704  4.881832       1.999841  
1 1 1 1   26 42 f 38.66519 0.9990440 15.05594       0.7725026 15.23994       1.090856  14.87084       1.094118  0.4781075      1.998088  
1 1 1 1   26 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   27 0  o 28.17955 0.6926752 7.951943       0.3902045 8.116467       0.5474637 7.782062       0.5563077 0.5937767      1.385350  
1 1 1 1   27 1  o 56.63155 0.7624329 31.87521       0.8596618 29.75846       1.150848  34.54729       1.293026  -4.220482      1.524866  
1 1 1 1   27 2  o 58.98055 0.7782845 34.58237       0.9143820 37.63132       1.370265  32.13480       1.227711  4.651821       1.556569  
1 1 1 1   27 3  o 89.47161 1.030267  80.15800       1.842442  78.55498       2.551909  81.90342       2.662844  -1.863205      2.060535  
1 1 1 1   27 4  o 47.15445 0.8537265 22.47555       0.7662787 22.96740       0.9534608 21.57838       1.287734  1.492577       1.707453  
1 1 1 1   27 5  o 82.29233 1.354023  67.91872       2.227144  66.67596       3.085714  69.27009       3.217748  -1.563614      2.708046  
1 1 1 1   27 6  o 40.85153 0.9354286 16.70702       0.7635823 16.48618       1.054703  16.95026       1.106926  -0.5645790     1.870857  
1 1 1 1   27 7  o 114.5562 1.786471  132.0583       4.092906  131.6529       5.762540  132.4711       5.814292  -0.3506317     3.572942  
1 1 1 1   27 8  o 31.38734 0.8036641 9.265542       0.4788959 11.78879       0.8549392 8.111819       0.5781045 5.841574       1.607328  
1 1 1 1   27 9  o 78.79370 0.9380698 62.19227       1.478170  61.83394       2.075550  62.56108       2.105670  -0.4593658     1.876140  
1 1 1 1   27 10 o 44.84443 0.7071939 20.13853       0.6340448 20.66709       0.8939560 19.60349       0.8994185 1.186165       1.414388  
1 1 1 1   27 11 o 118.7423 1.311072  141.0313       3.104872  148.0768       4.603446  135.1514       4.205403  5.401321       2.622144  
1 1 1 1   27 12 o 46.85677 0.9705170 21.89122       0.9064720 20.69586       1.222495  23.35111       1.351007  -2.823158      1.941034  
1 1 1 1   27 13 o 16.21684 1.023035  2.695917       0.3009956 4.309746       0.4482780 1.371005       0.4061739 9.057485       2.046069  
1 1 1 1   27 14 o 89.96474 1.039817  81.14324       1.870847  81.83470       2.661835  80.46822       2.630008  0.7566071      2.079634  
1 1 1 1   27 15 o 29.53379 0.7241326 8.586084       0.4223436 10.78423       0.6409904 6.899630       0.5614499 6.571384       1.448265  
1 1 1 1   27 16 o 170.1343 1.825839  292.0385       6.212756  292.1113       8.785586  291.9657       8.786741  0.4298401E-01  3.651677  
1 1 1 1   27 17 o 23.22254 0.7835232 5.412237       0.3621991 6.074246       0.5160529 4.769505       0.5084847 2.808624       1.567046  
1 1 1 1   27 18 o 57.44187 0.7835695 33.05555       0.9001839 33.18246       1.271850  32.92816       1.274258  0.2215500      1.567139  
1 1 1 1   27 19 o 79.06406 1.378545  62.63079       2.174184  66.01620       3.219260  59.79163       2.948122  3.897034       2.757090  
1 1 1 1   27 20 f 59.14272 1.180935  35.06921       1.395549  33.78620       1.923095  36.49645       2.028316  -2.277805      2.361871  
1 1 1 1   27 21 o 38.25245 0.7180260 14.64999       0.5491323 15.20702       0.7851339 14.11656       0.7683197 1.423965       1.436052  
1 1 1 1   27 22 o 25.95213 0.7648774 6.742577       0.3958961 7.458433       0.5696272 6.073698       0.5506198 2.666143       1.529755  
1 1 1 1   27 23 o 28.64472 0.7555851 8.222238       0.4328134 8.383703       0.6125160 8.061220       0.6116660 0.5628204      1.511170  
1 1 1 1   27 24 o 48.04029 0.7464132 23.03326       0.7157136 24.80141       1.051952  21.50939       0.9765882 3.418972       1.492826  
1 1 1 1   27 25 o 16.35971 1.018440  2.687389       0.3318503 3.019632       0.4761772 2.373652       0.4627264 1.972464       2.036880  
1 1 1 1   27 26 o 78.43570 0.9558426 61.73783       1.499404  61.92139       2.129490  61.55735       2.111578  0.2297211      1.911685  
1 1 1 1   27 27 o 24.55669 0.8123712 6.021527       0.3954652 4.982797       0.5411155 7.212393       0.5793886 -4.535284      1.624742  
1 1 1 1   27 28 o 38.20279 0.7419280 14.52256       0.5646646 12.98620       0.7644925 16.36691       0.8376210 -4.416775      1.483856  
1 1 1 1   27 29 f 12.19741 2.462885  1.549985       0.6552171 2.091281       0.9190901 0.9905874      0.9343318 3.649967       4.925769  
1 1 1 1   27 30 o 77.70731 0.9563948 60.63605       1.486304  60.05585       2.089394  61.23040       2.114737  -0.7517700     1.912790  
1 1 1 1   27 31 o 22.83010 0.8688791 5.233309       0.3963446 5.191263       0.5720381 5.272130       0.5496631 -0.1805077     1.737758  
1 1 1 1   27 32 o 25.91508 0.8292897 6.741717       0.4294485 6.666789       0.6184186 6.811502       0.5968207 -0.2823639     1.658579  
1 1 1 1   27 33 f 33.15198 0.7746143 10.92085       0.5111580 12.37903       0.7655499 9.747774       0.6866435 3.957466       1.549229  
1 1 1 1   27 34 o 53.74165 0.7979370 28.87172       0.8559396 26.68255       1.171849  31.37540       1.253205  -4.353657      1.595874  
1 1 1 1   27 35 o 19.68912 0.9757378 3.826160       0.3803707 4.428501       0.5910745 3.400400       0.4969401 2.592487       1.951476  
1 1 1 1   27 36 o 30.23605 0.7991512 9.247617       0.4794506 8.148987       0.6911660 10.26661       0.6656449 -3.506161      1.598302  
1 1 1 1   27 37 o 44.22690 1.113794  19.76374       0.8889430 19.59141       1.661061  19.83291       1.052319  -0.4193840     2.227588  
1 1 1 1   27 38 o 15.05463 4.200236  2.468431       1.311991  2.468431       1.311991  ?              ?         ?              ?         
1 1 1 1   27 39 o 25.67409 1.062123  6.604817       0.5438344 7.198639       0.8057607 6.107988       0.7370238 2.106491       2.124247  
1 1 1 1   27 40 o 58.70824 1.123896  34.67532       1.317497  36.55833       1.931638  33.03730       1.801596  2.962090       2.247791  
1 1 1 1   27 41 o 37.31142 1.396636  0.000000       0.000000  ?              ?         14.01632       1.042209  ?              ?         
1 1 1 1   28 0  f 17.56243 0.8954728 3.065613       0.3093020 2.356133       0.4181010 3.923254       0.4596889 -4.458557      1.790946  
1 1 1 1   28 1  o 64.92239 0.8257221 41.99347       1.068213  39.76395       1.437632  44.74173       1.596134  -3.822865      1.651444  
1 1 1 1   28 2  o 73.73454 0.8968336 54.46957       1.322502  54.42101       1.861837  54.51904       1.878881  -0.6521606E-01 1.793667  
1 1 1 1   28 3  o 32.84467 0.6832950 10.79489       0.4486480 11.26462       0.6411821 10.34429       0.6279916 1.400288       1.366590  
1 1 1 1   28 4  f 18.94913 0.8673285 3.654655       0.3224081 4.389017       0.4504973 2.883602       0.4616138 3.973045       1.734657  
1 1 1 1   28 5  o 36.85818 0.6948888 13.50654       0.5097731 15.52767       0.7536169 11.80164       0.6921545 5.050957       1.389778  
1 1 1 1   28 6  f 19.00742 0.8531404 3.586544       0.3224735 3.107659       0.4352014 4.169592       0.4802054 -2.790197      1.706281  
1 1 1 1   28 7  o 34.00879 0.7115545 11.44572       0.4800587 13.72705       0.7195703 9.615921       0.6444375 6.039597       1.423109  
1 1 1 1   28 8  o 70.13036 1.212419  49.35644       1.700216  49.00435       2.377662  49.72486       2.432204  -0.5078354     2.424838  
1 1 1 1   28 9  o 41.50555 0.7013658 17.24023       0.5818887 18.06972       0.8323176 16.44720       0.8138240 1.953388       1.402732  
1 1 1 1   28 10 o 39.50935 0.8377424 15.98387       0.6380138 17.12075       0.8185148 14.22362       1.018491  3.681862       1.675485  
1 1 1 1   28 11 o 55.04879 1.054248  30.31256       1.159066  32.14447       1.693473  28.69814       1.589772  3.119560       2.108496  
1 1 1 1   28 12 o 58.27612 1.081838  34.00294       1.259491  35.66798       1.834605  32.51861       1.732183  2.690872       2.163676  
1 1 1 1   28 13 o 20.29936 1.032818  4.112757       0.4180374 3.706478       0.5704988 4.583845       0.6143185 -2.156378      2.065636  
1 1 1 1   28 14 o 12.83883 1.369882  1.592919       0.3300170 2.413688       0.5326974 1.081692       0.4204143 5.326613       2.739765  
1 1 1 1   28 15 f 56.61697 1.628776  0.000000       0.000000  ?              ?         32.18281       1.844328  ?              ?         
1 1 1 1   28 16 o 64.79190 1.222842  42.14788       1.583961  43.09031       2.280154  41.26894       2.202009  1.395065       2.445684  
1 1 1 1   28 17 o 16.01182 1.395484  2.436780       0.3865931 2.306374       0.4410160 2.869492       0.8033501 -1.701753      2.790967  
1 1 1 1   28 18 o 51.62596 0.7521228 26.40332       0.7718719 29.56415       1.172679  23.98711       1.025291  5.388294       1.504246  
1 1 1 1   28 19 o 76.06087 0.9294535 57.78805       1.410023  54.97249       1.909752  61.16226       2.090652  -4.048332      1.858907  
1 1 1 1   28 20 o 70.30756 0.8835517 49.42591       1.240164  51.95477       1.822096  47.24335       1.692752  3.335968       1.767103  
1 1 1 1   28 21 o 58.42315 0.7985584 34.16033       0.9322703 35.52797       1.353400  32.92545       1.286037  2.220169       1.597117  
1 1 1 1   28 22 o 48.68439 0.7542604 23.74686       0.7342728 24.40797       1.047297  23.10771       1.029762  1.333599       1.508521  
1 1 1 1   28 23 f 40.61889 0.7323871 16.48585       0.5940720 17.72660       0.8657285 15.38164       0.8167027 2.881607       1.464774  
1 1 1 1   28 24 o 52.31207 0.7739208 27.38755       0.8090182 28.55867       1.173802  26.32781       1.116590  2.125919       1.547842  
1 1 1 1   28 25 o 75.95071 0.9360403 57.86692       1.421437  56.81380       1.980920  58.98473       2.040850  -1.420967      1.872081  
1 1 1 1   28 26 o 64.53687 1.280207  41.65845       1.645802  45.08946       2.466190  38.90355       2.209878  4.743401       2.560415  
1 1 1 1   28 27 o 41.02418 0.7510945 16.85692       0.6159554 17.42146       0.8880473 16.33353       0.8550731 1.321983       1.502189  
1 1 1 1   28 28 o 71.01470 0.9063862 50.55937       1.286137  52.31284       1.868829  48.98162       1.772719  2.330383       1.812772  
1 1 1 1   28 29 o 9.061873 1.713801  0.8558226      0.3159761 0.9510096      0.4686071 0.7764622      0.4278803 0.8804226      3.427601  
1 1 1 1   28 30 o 23.61396 0.8796443 5.605085       0.4103233 4.505863       0.5677113 6.807383       0.5937325 -4.869207      1.759289  
1 1 1 1   28 31 o 60.64231 0.8447977 36.89825       1.024285  37.43029       1.470879  36.39732       1.427224  0.8448792      1.689595  
1 1 1 1   28 32 o 32.67351 0.7944553 10.68380       0.5175130 9.546031       0.7134804 11.94696       0.7517678 -3.668169      1.588911  
1 1 1 1   28 33 o 64.98141 0.8779640 42.36999       1.140234  43.46045       1.650301  41.37394       1.577247  1.592590       1.755928  
1 1 1 1   28 34 o 33.05976 0.7901506 10.99498       0.5184385 10.77706       0.7788717 11.16833       0.6946932 -0.6063309     1.580301  
1 1 1 1   28 35 o 10.67783 2.564888  0.9094476      0.7293300 1.885582       1.045498  -0.1585384E-01 1.017912  5.152439       5.129777  
1 1 1 1   28 36 o 13.05266 1.572345  1.762535       0.4000102 1.606821       0.5701626 1.913468       0.5613403 -1.376854      3.144690  
1 1 1 1   28 37 o 38.69827 0.9968026 15.00070       0.7694483 16.50591       1.133181  13.71299       1.048118  3.588123       1.993605  
1 1 1 1   28 38 o 16.89226 1.373368  2.982050       0.4491999 2.315520       0.6691038 3.528948       0.6060896 -3.612749      2.746737  
1 1 1 1   28 39 o 54.55972 1.350628  29.86775       1.369936  30.90594       2.455219  29.39842       1.650801  1.117737       2.701257  
1 1 1 1   29 0  o 29.04823 0.7270315 8.458302       0.4217687 8.994701       0.5970767 7.924074       0.5958672 1.842754       1.454063  
1 1 1 1   29 1  o 14.87295 1.053888  2.226428       0.3117441 2.504395       0.4419340 1.951114       0.4398190 1.859795       2.107777  
1 1 1 1   29 2  o 38.29329 0.9746572 14.51411       0.7415789 12.91447       0.9846702 16.61047       1.127228  -4.811577      1.949314  
1 1 1 1   29 3  o 24.77398 0.9589289 6.485076       0.4451922 7.362931       0.5653583 5.052299       0.7222730 4.678350       1.917858  
1 1 1 1   29 4  o 15.69139 1.097429  2.578806       0.3156115 3.859086       0.4547951 1.389476       0.4383434 7.867591       2.194859  
1 1 1 1   29 5  o 43.43521 0.7092807 18.87672       0.6156319 18.49554       0.8500736 19.29714       0.8927644 -0.9195900     1.418561  
1 1 1 1   29 6  o 34.87896 0.7087926 11.94691       0.4895918 10.22246       0.6435341 14.31655       0.7543758 -5.860760      1.417585  
1 1 1 1   29 7  o 48.71702 0.7352859 23.74102       0.7156210 23.16090       0.9846606 24.39047       1.041840  -1.257519      1.470572  
1 1 1 1   29 8  o 30.33828 0.7102020 9.054297       0.4270099 7.742334       0.5635926 10.82238       0.6542680 -5.069338      1.420404  
1 1 1 1   29 9  o 60.59626 0.8042364 36.72517       0.9737628 38.42403       1.414406  35.19440       1.342614  2.658646       1.608473  
1 1 1 1   29 10 o 10.78721 1.511702  1.222660       0.3154296 1.021295       0.4781245 1.377840       0.4197282 -1.843390      3.023403  
1 1 1 1   29 11 o 68.85975 1.251720  47.62891       1.723333  48.64372       2.474989  46.67385       2.401016  1.419907       2.503439  
1 1 1 1   29 12 o 41.01836 1.068894  16.74992       0.8732827 15.22409       1.174267  18.63808       1.306270  -4.145214      2.137789  
1 1 1 1   29 13 o 32.44774 0.9148629 10.28831       0.5397133 9.931227       0.6362166 11.20491       1.019310  -1.921675      1.829726  
1 1 1 1   29 14 o 22.52909 0.8104188 5.080631       0.3647174 4.739504       0.5068365 5.446969       0.5252318 -1.568296      1.620838  
1 1 1 1   29 15 o 33.22638 0.7226691 10.95729       0.4769487 12.94560       0.7101373 9.323349       0.6437529 5.444845       1.445338  
1 1 1 1   29 16 o 14.35361 1.058286  2.079839       0.3021074 2.222853       0.4158961 1.920077       0.4395755 1.057942       2.116572  
1 1 1 1   29 17 o 48.71442 0.8771064 24.06651       0.8235821 24.85779       1.044210  22.76409       1.339677  2.183071       1.754213  
1 1 1 1   29 18 o 45.42617 0.9737805 20.64735       0.8833292 22.16385       1.289403  19.30621       1.212567  3.135231       1.947561  
1 1 1 1   29 19 o 30.07034 0.9438378 9.071133       0.5672998 8.649468       0.7954696 9.507561       0.8092747 -1.425022      1.887676  
1 1 1 1   29 20 o 13.35334 1.458087  1.864570       0.3687603 1.384827       0.5263396 2.327085       0.5168029 -3.715380      2.916174  
1 1 1 1   29 21 o 35.14462 0.9343872 12.39670       0.6567082 12.46725       0.9238391 12.32464       0.9336905 0.2042313      1.868774  
1 1 1 1   29 22 o 67.28217 1.102225  45.55191       1.469741  45.08086       2.227640  45.91502       1.955839  -0.6637344     2.204449  
1 1 1 1   29 23 o 60.14462 1.743777  0.000000       0.000000  ?              ?         36.41056       2.097576  ?              ?         
1 1 1 1   29 24 o 22.70440 0.8697589 5.157622       0.3888218 4.009415       0.5311276 6.483598       0.5707638 -5.443134      1.739518  
1 1 1 1   29 25 o 40.99442 0.7405655 16.80870       0.6063957 17.72656       0.8851141 15.99681       0.8324525 2.102978       1.481131  
1 1 1 1   29 26 o 12.26225 1.350299  1.519648       0.3304303 1.474830       0.4790553 1.560321       0.4563679 -0.3539858     2.700599  
1 1 1 1   29 27 o 58.76200 0.8263903 34.39193       0.9670903 37.47314       1.451684  31.93336       1.296739  4.691071       1.652781  
1 1 1 1   29 28 f 15.16539 1.144360  2.317213       0.3465664 2.279116       0.5017498 2.351970       0.4792611 -0.2448807     2.288719  
1 1 1 1   29 29 o 12.45502 1.320769  1.569738       0.3272469 1.526829       0.4847578 1.605666       0.4435736 -0.3269444     2.641538  
1 1 1 1   29 30 f 19.08571 0.9850746 3.660525       0.3754854 3.699889       0.5470131 3.625452       0.5163459 0.1889858      1.970149  
1 1 1 1   29 31 o 41.49709 0.7835943 17.26710       0.6497465 17.62367       0.9427938 16.94454       0.8966989 0.8107643      1.567189  
1 1 1 1   29 32 o 28.81673 1.510734  8.424282       0.8705692 8.598269       1.232990  8.251319       1.229359  0.6007690      3.021467  
1 1 1 1   29 33 o 28.43797 0.8644181 8.040035       0.4842499 10.22088       0.7232655 6.268107       0.6519403 6.936348       1.728836  
1 1 1 1   29 34 o 13.58104 1.523299  1.920259       0.3944750 1.436079       0.5509558 2.429537       0.5650550 -3.844408      3.046597  
1 1 1 1   29 35 f 26.18266 1.036636  6.901199       0.5423719 7.032821       0.7862884 6.781726       0.7491200 0.4700069      2.073272  
1 1 1 1   29 36 o 11.31891 1.880118  1.376045       0.4188864 1.195616       0.6163508 1.530917       0.5710312 -1.435908      3.760237  
1 1 1 1   29 37 o 16.79473 1.890655  0.000000       0.000000  ?              ?         2.856058       0.6350607 ?              ?         
1 1 1 1   30 0  o 50.89476 0.7526065 25.95388       0.7659829 26.13738       1.077350  25.76630       1.089276  0.3656082      1.505213  
1 1 1 1   30 1  o 15.53052 1.053765  2.461264       0.3193308 3.072553       0.4509255 1.846294       0.4522813 3.948066       2.107530  
1 1 1 1   30 2  o 24.85684 0.7784811 6.168343       0.3826575 7.534517       0.5609434 4.979236       0.5233312 5.136570       1.556962  
1 1 1 1   30 3  f 37.34579 0.7043726 13.82922       0.5234326 12.44725       0.7000604 15.58132       0.7882536 -4.188629      1.408745  
1 1 1 1   30 4  o 45.50180 0.7216901 20.68869       0.6556581 19.88840       0.8960856 21.61085       0.9618888 -1.887039      1.443380  
1 1 1 1   30 5  o 45.21755 0.7244868 20.39850       0.6537116 19.22671       0.8888533 21.77903       0.9647830 -2.815617      1.448974  
1 1 1 1   30 6  o 60.80304 1.162668  37.14434       1.413827  37.41363       1.996657  36.87354       2.002260  0.4449196      2.325336  
1 1 1 1   30 7  o 8.706281 2.078800  0.6643871      0.4434788 0.3522877      0.6019042 1.035015       0.6559188 -2.676329      4.157600  
1 1 1 1   30 8  o 35.52940 0.9576063 12.67848       0.6575202 12.71862       0.8300212 12.61084       1.077378  0.1813049      1.915213  
1 1 1 1   30 9  f 69.14661 0.8731738 47.35443       1.197084  43.72467       1.572266  52.36063       1.846464  -6.213875      1.746348  
1 1 1 1   30 10 o 44.06275 0.7254077 19.44580       0.6388468 19.26231       0.8856806 19.64481       0.9223672 -0.4305573     1.450815  
1 1 1 1   30 11 o 48.25684 0.7371041 23.26645       0.7100229 22.28933       0.9679810 24.40448       1.044644  -2.184029      1.474208  
1 1 1 1   30 12 o 28.89011 0.7388535 8.243163       0.4238175 7.217223       0.5621039 9.594792       0.6451854 -4.106571      1.477707  
1 1 1 1   30 13 f 42.34859 0.7211467 17.94256       0.6102542 18.99800       0.8813015 16.97032       0.8458493 2.390564       1.442293  
1 1 1 1   30 14 o 34.74526 0.7245071 12.02060       0.5018706 11.03791       0.6789420 13.20438       0.7451777 -3.111065      1.449014  
1 1 1 1   30 15 o 32.53186 0.7169546 10.59508       0.4662644 10.24116       0.6481472 10.97468       0.6712548 -1.125063      1.433909  
1 1 1 1   30 16 o 12.57416 1.335896  1.651777       0.3090079 2.417692       0.4510781 0.9745184      0.4241685 5.882841       2.671793  
1 1 1 1   30 17 o 51.45652 0.7620797 26.48304       0.7833886 27.84705       1.141052  25.26687       1.077440  2.500069       1.524159  
1 1 1 1   30 18 o 31.24600 1.003488  10.23509       0.5729177 8.693188       1.004139  10.97929       0.6976095 -3.701639      2.006975  
1 1 1 1   30 19 o 82.60414 1.443344  68.28374       2.371306  74.09249       3.591227  63.79323       3.157543  6.138939       2.886688  
1 1 1 1   30 20 o 79.98899 0.9725860 64.25773       1.555922  64.32681       2.202265  64.18888       2.198552  0.8563232E-01  1.945172  
1 1 1 1   30 21 o 56.62813 0.8022412 32.15845       0.9083710 31.80297       1.268246  32.53291       1.301667  -0.6399345     1.604482  
1 1 1 1   30 22 o 50.07450 0.7697922 25.14841       0.7709348 25.24875       1.090371  25.04810       1.090162  0.2003250      1.539584  
1 1 1 1   30 23 o 23.14199 0.8928182 5.319755       0.4000683 7.403330       0.6020590 3.672265       0.5353600 8.051027       1.785636  
1 1 1 1   30 24 o 38.51731 0.7643951 14.81644       0.5875968 13.82099       0.8009092 15.97685       0.8647304 -2.789902      1.528790  
1 1 1 1   30 25 o 62.34175 0.8552219 38.89684       1.064541  41.04334       1.561575  37.03322       1.455042  3.199520       1.710444  
1 1 1 1   30 26 o 48.32303 0.9113236 23.54705       0.8512662 23.81552       1.077344  23.10087       1.388893  0.7937202      1.822647  
1 1 1 1   30 27 f 74.82738 1.128263  56.59919       1.622004  57.15100       2.035040  55.63808       2.685750  1.155502       2.256525  
1 1 1 1   30 28 o 62.67403 1.155106  39.38232       1.443758  36.93666       1.953610  42.32536       2.143080  -4.254002      2.310212  
1 1 1 1   30 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   30 30 o 39.99320 0.9861271 16.07502       0.7883525 16.64031       1.137193  15.55198       1.093867  1.351227       1.972254  
1 1 1 1   30 31 o 24.76647 1.041306  6.191138       0.5144435 5.896977       0.7430299 6.461976       0.7129669 -1.147718      2.082612  
1 1 1 1   30 32 o 84.07768 1.412971  71.42224       2.371264  75.00255       3.490402  68.35339       3.231492  3.867264       2.825942  
1 1 1 1   30 33 f 50.38368 1.050182  25.55004       1.057508  24.56860       1.463594  26.62211       1.529678  -2.020351      2.100364  
1 1 1 1   30 34 o 68.82040 1.229936  47.81138       1.691968  49.24652       2.442703  46.48779       2.345843  1.975220       2.459871  
1 1 1 1   30 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   31 0  o 52.80281 0.9426308 28.06608       0.9437784 27.69248       1.610177  28.26161       1.164850  -0.5950928     1.885262  
1 1 1 1   31 1  o 77.14958 1.339598  59.48862       2.057199  64.42982       3.099079  55.59612       2.750627  5.661621       2.679196  
1 1 1 1   31 2  o 20.13371 1.278912  4.078034       0.5146312 3.873427       0.7213234 4.290157       0.7344509 -1.032625      2.557824  
1 1 1 1   31 3  o 64.85275 1.042165  41.95310       1.258815  41.46987       1.520153  43.00746       2.245466  -1.084114      2.084329  
1 1 1 1   31 4  o 77.95345 0.9453036 60.76064       1.469954  58.15117       1.993519  63.87002       2.176118  -3.644569      1.890607  
1 1 1 1   31 5  f 49.93685 0.8226262 24.90171       0.8092173 24.43809       1.052187  25.57299       1.266082  -1.112305      1.645252  
1 1 1 1   31 6  o 58.39893 1.156471  34.24139       1.349745  33.25651       1.865654  35.32302       1.955145  -1.755062      2.312943  
1 1 1 1   31 7  o 48.92357 1.074195  24.04143       1.051015  24.28573       1.495600  23.80306       1.477288  0.4905548      2.148391  
1 1 1 1   31 8  o 30.17700 1.116090  9.070932       0.6650633 11.30885       0.9887123 7.221586       0.8987885 6.758118       2.232181  
1 1 1 1   31 9  o 30.59050 1.106542  9.389474       0.6741641 9.248192       0.9095932 9.561687       1.004242  -0.4974003     2.213084  
1 1 1 1   31 10 o 27.84214 1.049629  7.881503       0.5632269 8.164257       0.7146837 7.418069       0.9149613 1.370140       2.099257  
1 1 1 1   31 11 o 6.755612 1.853559  0.3137925      0.3463390 0.4586399      0.3989807 -0.1290414     0.6976167 0.4946499      3.707119  
1 1 1 1   31 12 o 41.92124 0.7271176 17.60042       0.6092657 18.48627       0.8731226 16.75971       0.8505830 2.056900       1.454235  
1 1 1 1   31 13 o 51.93205 0.7670763 26.89424       0.7938998 25.43667       1.069329  28.68438       1.185056  -3.113682      1.534153  
1 1 1 1   31 14 o 68.71815 0.8786287 47.36597       1.207356  48.14742       1.726708  46.61840       1.688841  1.107430       1.757257  
1 1 1 1   31 15 o 38.55304 0.7272066 14.80999       0.5590438 13.58766       0.7576741 16.27063       0.8282456 -3.471367      1.454413  
1 1 1 1   31 16 o 19.58539 0.8854284 3.832329       0.3445157 3.251330       0.4712612 4.499272       0.5049157 -3.180931      1.770857  
1 1 1 1   31 17 o 8.227893 1.592915  0.6794580      0.2933449 1.090333       0.4178736 0.2802552      0.4118956 3.942364       3.185831  
1 1 1 1   31 18 o 12.94700 1.244890  1.690611       0.3220557 1.620604       0.4578909 1.759148       0.4530586 -0.5361004     2.489779  
1 1 1 1   31 19 o 46.25351 0.7549602 21.45568       0.6983483 21.71798       0.9872527 21.19301       0.9879752 0.5675850      1.509920  
1 1 1 1   31 20 o 40.31777 0.7490011 16.20588       0.6021931 14.92864       0.8159657 17.73369       0.8924196 -3.468521      1.498002  
1 1 1 1   31 21 o 26.11995 0.8157516 6.829537       0.4238880 7.857817       0.6157606 5.903317       0.5844042 3.736765       1.631503  
1 1 1 1   31 22 o 18.53495 0.9589748 3.452439       0.3553167 3.596395       0.5049474 3.311246       0.5000753 0.7683372      1.917950  
1 1 1 1   31 23 o 50.52144 0.7844431 25.58178       0.7921371 24.72759       1.097263  26.51150       1.144748  -1.758156      1.568886  
1 1 1 1   31 24 o 17.49609 1.020747  3.060616       0.3553160 3.538275       0.5232197 2.651800       0.4840485 2.525377       2.041494  
1 1 1 1   31 25 o 67.84415 1.140949  46.79073       1.443839  45.23647       2.529320  47.54200       1.758504  -1.879898      2.281898  
1 1 1 1   31 26 f 10.60798 2.374259  0.8490716      0.6638817 2.102516       0.9800616 -0.2137615     0.9024715 6.709163       4.748519  
1 1 1 1   31 27 o 68.13329 0.8998631 46.64320       1.226042  45.86286       1.716773  47.45545       1.751520  -1.161842      1.799726  
1 1 1 1   31 28 o 26.38517 0.8611047 6.995439       0.4539912 6.608903       0.6382209 7.391369       0.6459295 -1.481281      1.722209  
1 1 1 1   31 29 f 11.75517 1.552920  1.420283       0.3511975 2.203293       0.5276609 0.7975587      0.4705648 6.020155       3.105841  
1 1 1 1   31 30 o 46.91117 0.8704576 22.10304       0.8097838 22.29029       1.229891  21.95973       1.075908  0.3188286      1.740915  
1 1 1 1   31 31 f 55.74324 1.093673  31.07879       1.213603  34.00773       1.827471  28.76798       1.623216  4.644699       2.187346  
1 1 1 1   31 32 o 30.26427 1.385024  0.000000       0.000000  ?              ?         9.220812       0.8383347 ?              ?         
1 1 1 1   32 0  f 115.5470 1.290480  134.1874       2.977902  139.0747       4.355552  129.8975       4.080654  3.918427       2.580960  
1 1 1 1   32 1  o 83.53959 0.9955482 70.06371       1.663148  71.15984       2.374762  69.00853       2.329971  1.280960       1.991096  
1 1 1 1   32 2  o 90.31596 1.055723  81.95356       1.906918  81.87786       2.686049  82.03050       2.707660  -0.8108521E-01 2.111446  
1 1 1 1   32 3  o 66.27119 0.8597171 43.84854       1.135585  41.68477       1.531001  46.49484       1.693128  -3.608109      1.719434  
1 1 1 1   32 4  o 69.29089 0.8792812 48.14213       1.217921  47.28536       1.690715  49.06627       1.755936  -1.276390      1.758562  
1 1 1 1   32 5  o 46.54401 0.7476505 21.69312       0.6951922 21.25971       0.9569688 22.17743       1.011605  -0.9795876     1.495301  
1 1 1 1   32 6  o 51.76818 0.7661176 26.82470       0.7921970 26.04217       1.087658  27.70889       1.156148  -1.601585      1.532235  
1 1 1 1   32 7  o 30.40479 0.7540052 9.272993       0.4566873 10.37857       0.6539445 8.220490       0.6380553 3.547007       1.508010  
1 1 1 1   32 8  o 91.81287 1.070799  84.66774       1.964822  82.88696       2.716983  86.61996       2.844777  -2.010559      2.141598  
1 1 1 1   32 9  o 43.95963 0.7353223 19.36460       0.6461121 20.31895       0.9240128 18.45155       0.9038032 2.121494       1.470645  
1 1 1 1   32 10 o 19.09030 0.9021248 3.632677       0.3428716 3.194533       0.4650601 4.154443       0.5075025 -2.507572      1.804250  
1 1 1 1   32 11 o 36.30118 0.7222053 13.20272       0.5238053 14.06026       0.7507806 12.38942       0.7311544 2.298874       1.444411  
1 1 1 1   32 12 o 21.61168 0.8460635 4.687377       0.3655880 4.691468       0.5109487 4.683088       0.5233122 0.2122688E-01  1.692127  
1 1 1 1   32 13 o 41.95327 0.7352844 17.65229       0.6165059 18.50594       0.8749989 16.81073       0.8687763 2.019543       1.470569  
1 1 1 1   32 14 o 46.37420 0.7472520 21.54269       0.6926117 22.64419       0.9965059 20.51330       0.9633378 2.293125       1.494504  
1 1 1 1   32 15 o 22.62631 0.8415732 5.146928       0.3798647 5.291432       0.5234793 4.986201       0.5520807 0.6787739      1.683146  
1 1 1 1   32 16 f 21.33022 0.8658244 4.566635       0.3692794 4.541789       0.5161164 4.592696       0.5285867 -0.1173820     1.731649  
1 1 1 1   32 17 f 50.22619 0.7696179 25.27435       0.7725121 24.53914       1.067336  26.08322       1.119526  -1.529663      1.539236  
1 1 1 1   32 18 o 20.61821 0.9256347 4.280095       0.3784623 5.010869       0.5429989 3.589715       0.5277787 3.443663       1.851269  
1 1 1 1   32 19 o 41.16142 0.7488488 16.91370       0.6148431 15.86691       0.8334209 18.16376       0.9107556 -2.778557      1.497698  
1 1 1 1   32 20 o 57.13759 0.8145036 32.76308       0.9306797 32.28845       1.304988  33.25435       1.327664  -0.8415489     1.629007  
1 1 1 1   32 21 o 66.31090 0.9518567 44.37702       1.253991  42.53600       1.861659  45.90610       1.696629  -2.573677      1.903713  
1 1 1 1   32 22 o 8.524867 2.380162  0.4173965      0.6066529 0.6761619      0.8643470 0.1661677      0.8516670 1.375368       4.760324  
1 1 1 1   32 23 o 46.37055 1.019192  21.81590       0.8661827 22.08434       1.038883  21.20374       1.568825  1.066467       2.038383  
1 1 1 1   32 24 o 29.62092 0.8104464 8.810958       0.4795187 8.238610       0.6731490 9.400606       0.6832476 -1.959633      1.620893  
1 1 1 1   32 25 o 22.35444 0.9148526 5.029409       0.4056003 4.212302       0.5636221 5.907086       0.5841390 -3.786451      1.829705  
1 1 1 1   32 26 o 33.31221 0.7980729 11.13179       0.5311609 11.87129       0.7642952 10.44097       0.7387080 2.141968       1.596146  
1 1 1 1   32 27 o 40.96038 0.7854680 16.83707       0.6430687 16.03824       0.8963798 17.68419       0.9230807 -2.003918      1.570936  
1 1 1 1   32 28 o 26.93657 0.8660495 7.237769       0.4646595 8.172523       0.6906717 6.464859       0.6280400 3.156418       1.732099  
1 1 1 1   32 29 o 24.20967 1.377244  6.017642       0.6081483 5.741448       1.104098  6.137933       0.7286437 -0.9429245     2.754487  
1 1 1 1   33 0  o 96.47246 1.583613  94.22187       3.055180  93.49599       4.283767  94.97334       4.358557  -0.7448120     3.167227  
1 1 1 1   33 1  o 56.00813 1.111836  31.56372       1.245328  31.66555       1.751294  31.45955       1.771195  0.1878014      2.223671  
1 1 1 1   33 2  o 78.52882 1.177719  61.62624       1.741367  63.48305       3.044673  60.72357       2.122850  1.567902       2.355438  
1 1 1 1   33 3  o 76.98923 0.9489760 59.50110       1.460510  58.36564       2.027614  60.72552       2.105536  -1.519569      1.897952  
1 1 1 1   33 4  o 11.16525 1.493838  1.311389       0.3213328 1.960303       0.4660215 0.7232335      0.4436685 5.574725       2.987675  
1 1 1 1   33 5  o 53.66443 0.7791466 28.88944       0.8361253 29.12755       1.175456  28.64558       1.189590  0.4510078      1.558293  
1 1 1 1   33 6  o 44.52732 0.7420986 19.88813       0.6606513 20.30338       0.9294105 19.46402       0.9392714 0.9438133      1.484197  
1 1 1 1   33 7  o 14.68557 1.132590  2.183336       0.3306238 2.393085       0.4597792 1.958737       0.4757763 1.482031       2.265180  
1 1 1 1   33 8  o 56.91293 0.8014280 32.49844       0.9121702 32.78459       1.286551  32.20921       1.293484  0.5064888      1.602856  
1 1 1 1   33 9  o 51.32465 0.7718220 26.41805       0.7920655 27.27153       1.127779  25.58729       1.112673  1.638664       1.543644  
1 1 1 1   33 10 o 26.86028 0.8020883 7.245058       0.4299331 7.851716       0.6112291 6.650985       0.6048555 2.234198       1.604177  
1 1 1 1   33 11 o 37.17701 0.7515076 13.72856       0.5549128 16.23218       0.8272088 11.68009       0.7482491 6.111042       1.503015  
1 1 1 1   33 12 o 34.19059 0.7569779 11.73610       0.5170866 11.98188       0.7197543 11.47393       0.7433584 0.7462692      1.513956  
1 1 1 1   33 13 o 10.50034 1.501014  1.131005       0.3094718 0.8285145      0.4214718 1.484881       0.4558674 -3.251256      3.002028  
1 1 1 1   33 14 o 50.02785 0.7706121 25.10977       0.7709728 24.98236       1.082032  25.24117       1.098802  -0.2560883     1.541224  
1 1 1 1   33 15 o 33.87576 0.7577798 11.51493       0.5132625 11.84002       0.7263436 11.19069       0.7253830 0.9582558      1.515560  
1 1 1 1   33 16 o 37.08179 0.7548327 13.79520       0.5593659 14.54773       0.7971162 13.06511       0.7851454 1.997257       1.509665  
1 1 1 1   33 17 o 32.31477 0.8605191 10.60099       0.5478439 9.747458       0.8301008 11.25964       0.7292048 -2.358591      1.721038  
1 1 1 1   33 18 o 22.82038 1.495226  5.265931       0.6808214 5.069935       0.9254160 5.497169       1.005175  -0.9094067     2.990452  
1 1 1 1   33 19 o 69.19579 1.131023  47.60334       1.442527  46.59352       1.723459  49.96590       2.636150  -2.212547      2.262047  
1 1 1 1   33 20 f 70.74608 0.9124200 50.30989       1.290974  50.72753       1.832490  49.89837       1.819010  0.5832825      1.824840  
1 1 1 1   33 21 o 27.56980 0.8240171 7.635135       0.4542416 7.851080       0.6434310 7.420574       0.6413633 0.7803669      1.648034  
1 1 1 1   33 22 o 81.89967 1.003044  67.52573       1.642963  67.86941       2.329415  67.18553       2.317632  0.4147110      2.006088  
1 1 1 1   33 23 o 25.43169 0.8678609 6.498507       0.4411784 6.600125       0.6364694 6.404527       0.6120859 0.3792992      1.735722  
1 1 1 1   33 24 o 46.09270 0.7854267 21.33265       0.7239323 21.65450       1.035226  21.02463       1.012734  0.6788368      1.570853  
1 1 1 1   33 25 o 28.44774 0.8281415 8.129153       0.4711151 8.250022       0.6728370 8.012899       0.6598669 0.4141483      1.656283  
1 1 1 1   33 26 o 26.64283 2.936217  0.000000       0.000000  ?              ?         7.315681       1.564583  ?              ?         
1 1 1 1   34 0  o 29.54861 0.7785378 8.767587       0.4592539 9.427567       0.6522166 8.118555       0.6467835 2.214176       1.557076  
1 1 1 1   34 1  o 11.63883 1.488524  1.415469       0.3347174 1.618549       0.4607199 1.188461       0.4871052 2.049363       2.977047  
1 1 1 1   34 2  o 15.95854 1.117779  2.577312       0.3523759 3.085532       0.5040045 2.091336       0.4928521 3.112487       2.235559  
1 1 1 1   34 3  o 40.21329 0.7413988 16.15367       0.5950379 15.06433       0.8114656 17.42073       0.8751609 -2.920475      1.482798  
1 1 1 1   34 4  o 18.94429 0.9816830 3.607309       0.3718911 3.676756       0.5313233 3.540609       0.5207044 0.3572578      1.963366  
1 1 1 1   34 5  o 78.28668 0.9611259 61.33659       1.500014  58.42226       2.025163  64.87872       2.232667  -4.083763      1.922252  
1 1 1 1   34 6  o 60.11964 1.002429  36.55040       1.145804  37.01137       1.420640  35.69238       1.938169  1.199394       2.004859  
1 1 1 1   34 7  f 51.42747 1.070242  26.46599       1.096470  24.96278       1.473191  28.33287       1.641754  -3.240089      2.140483  
1 1 1 1   34 8  o 37.73461 1.007230  14.28013       0.7583422 15.74325       1.103206  12.96948       1.044145  3.663158       2.014460  
1 1 1 1   34 9  o 28.49486 1.031236  8.172502       0.5875998 8.291739       0.8278581 8.051441       0.8341608 0.4230232      2.062472  
1 1 1 1   34 10 o 43.86742 0.8921458 19.61814       0.7608929 18.04436       1.200588  20.67459       0.9836706 -3.039562      1.784292  
1 1 1 1   34 11 f 46.50870 0.8301851 21.53953       0.7634543 22.91335       1.186256  20.56815       0.9974889 2.486309       1.660370  
1 1 1 1   34 12 o 57.33385 0.8159463 32.95953       0.9347783 31.85732       1.288810  34.18296       1.357842  -2.015583      1.631893  
1 1 1 1   34 13 o 11.52139 1.981648  1.440703       0.4134935 1.187417       0.8437075 1.520771       0.4743687 -1.478179      3.963297  
1 1 1 1   34 14 o 48.86122 1.173701  23.93348       1.143387  22.14874       1.545523  26.09127       1.699396  -3.994534      2.347402  
1 1 1 1   34 15 f 17.85364 1.524310  3.307972       0.4598881 3.376288       0.5283266 3.094335       0.9342838 0.9214497      3.048620  
1 1 1 1   34 16 f 17.24861 1.060371  2.996942       0.3657843 3.023188       0.5168244 2.970599       0.5177712 0.1526737      2.120743  
1 1 1 1   34 17 o 30.84623 0.7921095 9.529840       0.4870154 10.69264       0.7070848 8.480321       0.6717597 3.579479       1.584219  
1 1 1 1   34 18 o 46.40260 0.7770797 21.44284       0.7176711 19.85888       0.9589027 23.46001       1.082110  -3.856918      1.554159  
1 1 1 1   34 19 o 26.77420 0.8367105 7.204350       0.4480329 7.133274       0.6327145 7.275833       0.6345179 -0.2658424     1.673421  
1 1 1 1   34 20 o 15.20164 1.186605  2.333272       0.3600831 2.530101       0.5151826 2.145279       0.5034875 1.262280       2.373210  
1 1 1 1   34 21 o 37.79473 0.7851756 14.29704       0.5924040 15.52882       0.8648812 13.20838       0.8130870 3.059875       1.570351  
1 1 1 1   34 22 o 34.93979 2.587753  0.000000       0.000000  ?              ?         12.49746       1.808311  ?              ?         
1 1 1 1   35 0  o 41.89424 0.7578481 17.54922       0.6337056 16.59496       0.8633853 18.66368       0.9330543 -2.457340      1.515696  
1 1 1 1   35 1  o 35.86557 0.7708146 12.87777       0.5513267 14.32773       0.8002549 11.56781       0.7606400 3.840874       1.541629  
1 1 1 1   35 2  o 74.81883 0.9365321 56.21515       1.399914  54.86199       1.927365  57.72620       2.036711  -1.891502      1.873064  
1 1 1 1   35 3  o 28.11683 0.8095426 7.926356       0.4549006 7.608821       0.6292316 8.274029       0.6584132 -1.177713      1.619085  
1 1 1 1   35 4  o 39.57253 0.7556235 15.54381       0.5943968 14.17849       0.7892835 17.33263       0.9034427 -3.966137      1.511247  
1 1 1 1   35 5  o 61.12422 0.8388892 37.50602       1.024915  36.94515       1.420928  38.11429       1.479759  -0.9453697     1.677778  
1 1 1 1   35 6  o 40.70414 0.7582037 16.61080       0.6165938 16.26006       0.8493367 17.00163       0.8965697 -0.9028778     1.516407  
1 1 1 1   35 7  f 95.06947 1.111082  91.09666       2.112572  90.92536       2.978858  91.27000       2.996475  -0.1768188     2.222164  
1 1 1 1   35 8  o 41.24717 1.131591  17.04088       0.9293662 19.46106       1.372695  14.99266       1.262814  5.388153       2.263183  
1 1 1 1   35 9  f 47.71880 1.136934  22.95689       1.084887  23.39518       1.551084  22.53712       1.517974  0.8903427      2.273867  
1 1 1 1   35 10 o 24.62521 1.122628  5.915819       0.4969694 5.675499       0.5808417 6.572397       0.9600786 -1.722109      2.245255  
1 1 1 1   35 11 o 24.58260 0.8674386 6.071908       0.4263440 5.992460       0.5941281 6.156252       0.6121590 -0.3293743     1.734877  
1 1 1 1   35 12 o 40.47579 0.7553979 16.44920       0.6114316 16.77054       0.8657533 16.12942       0.8636403 0.7915840      1.510796  
1 1 1 1   35 13 o 10.31078 1.583402  1.116870       0.3313547 1.652433       0.4750338 0.6093444      0.4624328 4.930747       3.166804  
1 1 1 1   35 14 o 44.83640 0.7726619 20.19032       0.6924125 20.25233       0.9627564 20.12387       0.9965563 0.1497879      1.545324  
1 1 1 1   35 15 o 8.107498 1.642621  0.5769759      0.3272772 0.2384129E-01  0.4483351 1.207969       0.4788502 -5.166926      3.285242  
1 1 1 1   35 16 o 38.51318 0.9957553 14.90550       0.7657484 14.45771       1.047775  15.41888       1.121882  -1.229794      1.991511  
1 1 1 1   35 17 o 19.83476 1.876716  0.000000       0.000000  ?              ?         3.983233       0.7444842 ?              ?         
1 1 1 1   35 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   36 0  o 29.45043 0.8068728 8.731415       0.4741206 9.341971       0.6666254 8.106426       0.6744589 2.099253       1.613746  
1 1 1 1   36 1  o 60.65572 0.9140571 37.02837       1.099696  36.85726       1.663367  37.16123       1.465726  -0.2957649     1.828114  
1 1 1 1   36 2  o 30.15696 1.164284  9.083209       0.6977230 8.343068       0.9248877 10.06073       1.062905  -2.807648      2.328569  
1 1 1 1   36 3  o 25.40370 1.274486  6.544155       0.6457708 6.965603       0.9029238 6.102844       0.9239551 1.704756       2.548971  
1 1 1 1   36 4  f 76.61488 1.182080  59.45403       1.702827  59.81381       2.084044  58.73136       2.953596  0.9566650      2.364159  
1 1 1 1   36 5  o 43.85461 0.7752708 19.29110       0.6793709 20.48311       0.9773187 18.17651       0.9450451 2.623680       1.550542  
1 1 1 1   36 6  o 13.71697 1.407478  1.968659       0.3664004 2.444071       0.5148373 1.480741       0.5215650 3.686278       2.814957  
1 1 1 1   36 7  o 104.6472 1.203718  110.4701       2.517256  113.8468       3.651084  107.4109       3.475293  3.023438       2.407436  
1 1 1 1   36 8  o 33.18219 0.9388018 11.02240       0.6031518 11.29810       0.9907995 10.86008       0.7602498 0.6073036      1.877604  
1 1 1 1   36 9  o 115.2557 2.629109  0.000000       0.000000  ?              ?         136.0605       6.060398  ?              ?         
1 1 1 1   36 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 1   36 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   0  0  o 248.7038 4.667531  589.7866       20.48319  686.7338       41.10315  557.7565       23.62580  -0.000000      0.000000  
1 1 1 2   0  1  o 288.2485 5.339243  815.2148       28.19034  880.5407       52.30704  788.4731       33.46653  -0.000000      0.000000  
1 1 1 2   0  2  f 319.5615 4.720559  962.3846       28.51737  849.2441       34.32229  1214.620       51.24725  -0.000000      0.000000  
1 1 1 2   0  3  o 280.1385 4.131808  764.1925       22.55606  693.0562       28.39212  885.9145       37.13956  -0.000000      0.000000  
1 1 1 2   0  4  o 196.9583 2.919211  388.4386       11.48298  382.9764       15.96251  394.2969       16.53120  -0.000000      0.000000  
1 1 1 2   0  5  o 275.0034 4.076815  744.1232       22.00951  830.0558       35.22852  689.1064       28.18793  -0.000000      0.000000  
1 1 1 2   0  6  f 198.0490 2.944601  381.8080       11.36214  346.5464       14.29788  442.2374       18.71736  -0.000000      0.000000  
1 1 1 2   0  7  o 189.5215 2.810494  358.3908       10.60705  343.5584       14.31766  376.4346       15.79170  -0.000000      0.000000  
1 1 1 2   0  8  o 399.2006 5.872139  1579.194       46.34160  1474.414       60.51252  1727.799       72.06455  -0.000000      0.000000  
1 1 1 2   0  9  o 131.2083 1.971184  172.3462       5.165587  169.7218       7.188230  175.1486       7.428163  -0.000000      0.000000  
1 1 1 2   0  10 o 268.0145 3.958085  718.6730       21.16884  741.8951       30.89207  698.1154       29.06583  -0.000000      0.000000  
1 1 1 2   0  11 o 185.9541 2.762739  346.2959       10.26284  350.1468       14.68453  342.6189       14.34900  -0.000000      0.000000  
1 1 1 2   0  12 o 221.9425 3.281236  493.1884       14.54449  501.5536       20.93966  485.3904       20.21738  -0.000000      0.000000  
1 1 1 2   0  13 o 317.6421 4.677233  1009.248       29.64325  980.6423       40.64892  1041.740       43.32245  -0.000000      0.000000  
1 1 1 2   0  14 o 103.4158 1.594979  107.1020       3.294994  107.4709       4.701690  106.7459       4.619059  -0.000000      0.000000  
1 1 1 2   0  15 o 354.4541 5.217839  1231.671       36.25850  1128.361       46.24190  1396.572       58.42223  -0.000000      0.000000  
1 1 1 2   0  16 o 155.9321 2.331236  243.1218       7.253353  250.6680       10.59103  236.4558       9.954145  -0.000000      0.000000  
1 1 1 2   0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   0  18 o 298.0171 4.417790  889.7144       26.30076  894.7921       37.60857  884.8539       36.79456  -0.000000      0.000000  
1 1 1 2   0  19 o 437.0115 6.429051  1909.372       56.00352  1840.688       76.11719  1990.435       82.69267  -0.000000      0.000000  
1 1 1 2   0  20 o 339.5876 4.998043  1154.230       33.87321  1185.932       49.34533  1125.979       46.58192  -0.000000      0.000000  
1 1 1 2   0  21 o 215.9801 3.206836  467.2935       13.83864  468.0007       19.56861  466.5861       19.57298  -0.000000      0.000000  
1 1 1 2   0  22 o 20.31502 0.8201292 4.169678       0.3307477 4.069124       0.4718262 4.266829       0.4637736 -0.000000      0.000000  
1 1 1 2   0  23 o 243.9348 3.605983  594.8068       17.53765  617.6584       25.83233  575.2693       23.88584  -0.000000      0.000000  
1 1 1 2   0  24 o 96.39208 1.500121  93.05486       2.888654  93.73276       4.116168  92.39701       4.054870  -0.000000      0.000000  
1 1 1 2   0  25 o 293.1949 4.326249  860.2187       25.29822  833.8152       34.55689  890.7110       37.13637  -0.000000      0.000000  
1 1 1 2   0  26 o 123.4500 1.883976  152.6204       4.645802  150.6384       6.492461  154.7002       6.650711  -0.000000      0.000000  
1 1 1 2   0  27 o 24.83684 1.292801  6.188330       0.6237843 4.792834       0.8348476 7.952088       0.9385608 -0.000000      0.000000  
1 1 1 2   0  28 f 102.9889 1.594203  106.2497       3.280202  106.1413       4.636270  106.3583       4.641547  -0.000000      0.000000  
1 1 1 2   0  29 o 300.2269 4.432853  904.5448       26.59135  903.7476       37.57114  905.3447       37.64065  -0.000000      0.000000  
1 1 1 2   0  30 f 352.5595 5.202413  1248.829       36.64711  1245.165       51.66469  1252.538       51.99052  -0.000000      0.000000  
1 1 1 2   0  31 o 69.00461 1.159117  47.70122       1.597582  47.33416       2.244001  48.07849       2.274963  -0.000000      0.000000  
1 1 1 2   0  32 f 30.62204 1.156969  10.00044       0.6630291 7.184992       1.020424  12.05758       0.8722451 -0.000000      0.000000  
1 1 1 2   0  33 o 57.04396 1.029968  32.60862       1.173321  32.52588       1.650889  32.69308       1.667895  -0.000000      0.000000  
1 1 1 2   0  34 o 6.529121 3.270133  0.6308994      0.5176170 0.6308994      0.5176170 0.6308994      0.5176170 -0.000000      0.000000  
1 1 1 2   0  35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   0  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   0  37 o 13.64541 1.954040  1.832009       0.4447832 2.835915       0.8278796 1.424658       0.5273572 -0.000000      0.000000  
1 1 1 2   0  38 o 62.47017 1.109944  38.90044       1.379019  41.41615       2.067952  36.88585       1.850561  -0.000000      0.000000  
1 1 1 2   0  39 o 67.03529 1.162324  44.95777       1.554569  43.12818       2.138697  47.00731       2.263601  -0.000000      0.000000  
1 1 1 2   0  40 o 111.8864 1.742653  125.4764       3.893358  122.7309       5.401180  128.4460       5.617254  -0.000000      0.000000  
1 1 1 2   0  41 o 100.2786 1.586438  100.8024       3.176822  98.65641       4.414708  103.1071       4.574988  -0.000000      0.000000  
1 1 1 2   0  42 o 72.20692 1.232795  52.28422       1.777721  52.28915       2.537560  52.27947       2.491234  -0.000000      0.000000  
1 1 1 2   0  43 o 15.14271 1.393738  2.325914       0.4114733 2.641261       0.6497170 2.114731       0.5316901 -0.000000      0.000000  
1 1 1 2   0  44 o 18.88966 1.270863  3.685905       0.4636241 3.574080       0.7187997 3.765568       0.6066913 -0.000000      0.000000  
1 1 1 2   0  45 o 115.1680 1.801103  133.0425       4.138048  137.0552       6.049354  129.5136       5.672934  -0.000000      0.000000  
1 1 1 2   0  46 o 20.59955 1.222457  4.290069       0.4893989 4.613180       0.7717518 4.072739       0.6329378 -0.000000      0.000000  
1 1 1 2   0  47 f 101.7316 1.623601  103.9498       3.299168  102.2699       4.616089  105.7040       4.717005  -0.000000      0.000000  
1 1 1 2   0  48 o 13.95143 1.925583  2.298357       0.4419364 1.516747       0.6523069 2.961507       0.6008449 -0.000000      0.000000  
1 1 1 2   0  49 o 5.655374 2.181008  0.3653607      0.4054621 -0.1793334     0.6300085 0.7504925      0.5297546 -0.000000      0.000000  
1 1 1 2   0  50 o 6.358873 2.392208  0.5190842      0.4105338 0.8715510      0.6593351 0.2959156      0.5246426 -0.000000      0.000000  
1 1 1 2   0  51 o 43.06925 1.041437  18.65704       0.8934969 17.40790       1.255643  19.93834       1.271700  -0.000000      0.000000  
1 1 1 2   0  52 o 5.894115 2.210824  0.2543505      0.4574483 -0.6648169     0.6948105 0.9576124      0.6077536 -0.000000      0.000000  
1 1 1 2   0  53 o 9.801867 2.471547  1.360525       0.5108293 0.6850259      0.7775019 1.873587       0.6776013 -0.000000      0.000000  
1 1 1 2   0  54 o 9.639571 2.658794  1.336119       0.5179167 0.9565577      0.8135521 1.594771       0.6715858 -0.000000      0.000000  
1 1 1 2   0  55 o 69.25692 1.284773  48.26771       1.775977  48.03653       2.548966  48.48582       2.475851  -0.000000      0.000000  
1 1 1 2   0  56 o 21.84608 1.465253  4.941345       0.6189456 4.837715       0.9589512 5.015345       0.8103388 -0.000000      0.000000  
1 1 1 2   0  57 o 53.41373 1.180848  28.43819       1.247597  30.81380       1.922889  26.71114       1.639531  -0.000000      0.000000  
1 1 1 2   0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   0  59 o 5.051824 3.255615  0.6530454E-01  0.7350166 0.6530454E-01  0.7350166 0.6530454E-01  0.7350166 -0.000000      0.000000  
1 1 1 2   0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   0  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   1  0  o 173.1010 2.234238  297.6544       7.216775  293.9147       8.725599  305.7513       12.83934  -3.383896      4.468475  
1 1 1 2   1  1  o 310.9599 4.056167  934.6978       22.73612  893.3033       26.59159  1047.212       43.84061  -24.48001      8.112333  
1 1 1 2   1  2  o 304.2325 3.504875  872.6229       19.66774  796.2137       23.20714  1067.392       37.05183  -44.38049      7.009749  
1 1 1 2   1  3  o 372.5099 4.508431  1390.560       33.58546  1380.737       47.10965  1400.713       47.89411  -2.667694      9.016863  
1 1 1 2   1  4  o 380.4023 4.321063  1423.562       31.79516  1351.762       39.71617  1551.705       53.05800  -26.06000      8.642126  
1 1 1 2   1  5  o 284.3661 2.974282  807.4490       16.87865  837.7003       24.86876  781.6122       22.98268  9.840546       5.948564  
1 1 1 2   1  6  o 202.3909 2.117036  409.7966       8.568947  407.8334       12.04751  411.8065       12.19039  -0.9803772     4.234071  
1 1 1 2   1  7  o 305.1309 3.191097  926.0081       19.36231  986.3730       29.31366  879.2881       25.78868  17.50494       6.382194  
1 1 1 2   1  8  o 293.7898 3.074832  858.9435       17.97919  816.1352       24.04669  913.2112       27.07460  -16.48642      6.149664  
1 1 1 2   1  9  o 201.9854 2.115425  407.8058       8.538424  399.8021       11.79039  416.6322       12.38160  -4.161514      4.230850  
1 1 1 2   1  10 o 174.6314 1.832620  305.0365       6.400192  307.4436       9.118161  302.6988       8.985768  1.357651       3.665240  
1 1 1 2   1  11 f 191.8054 2.021429  367.3659       7.743067  356.4274       10.61064  379.8268       11.32493  -6.094971      4.042857  
1 1 1 2   1  12 o 301.9944 3.166047  909.2265       19.06199  954.6139       28.34301  871.7421       25.75753  13.69858       6.332095  
1 1 1 2   1  13 o 485.8548 5.076005  2347.053       49.03095  2516.444       74.36659  2216.798       65.21220  30.73730       10.15201  
1 1 1 2   1  14 o 423.0984 4.398196  1789.523       37.17933  1843.100       54.07881  1741.502       51.19838  11.98285       8.796391  
1 1 1 2   1  15 o 455.6497 4.753271  2062.212       42.99961  1952.116       56.87693  2209.082       65.69255  -28.12064      9.506541  
1 1 1 2   1  16 o 380.0637 3.953149  1445.126       30.03553  1464.457       43.23828  1427.099       41.75391  4.903473       7.906298  
1 1 1 2   1  17 o 193.1522 2.341388  372.9572       9.040894  365.6742       12.56076  380.7865       13.02329  -3.909866      4.682777  
1 1 1 2   1  18 o 211.3313 2.210486  445.5137       9.321268  429.8849       12.67631  463.9131       13.75408  -8.045990      4.420972  
1 1 1 2   1  19 o 248.2915 2.596371  616.7128       12.89239  620.8621       18.35261  612.6703       18.11489  1.648193       5.192741  
1 1 1 2   1  20 o 545.1874 5.680340  2978.195       61.91845  3029.453       88.89963  2929.902       86.29047  9.090698       11.36068  
1 1 1 2   1  21 o 107.4586 1.167764  115.2769       2.506407  111.6263       3.438950  119.4134       3.660614  -3.622505      2.335528  
1 1 1 2   1  22 o 154.5158 1.636962  238.3759       5.051206  246.5082       7.389860  231.2445       6.920214  4.936478       3.273925  
1 1 1 2   1  23 o 81.59443 0.9201820 66.52479       1.500654  65.05448       2.077279  68.12968       2.170265  -1.884079      1.840364  
1 1 1 2   1  24 o 179.2872 1.886025  320.8218       6.748919  333.1622       9.932635  310.2385       9.198421  6.386185       3.772051  
1 1 1 2   1  25 o 389.7205 4.050285  1520.734       31.53205  1482.908       43.34983  1563.234       45.94978  -10.24597      8.100570  
1 1 1 2   1  26 o 145.6584 1.550756  210.8117       4.492518  199.4066       5.986403  225.5161       6.797342  -8.954147      3.101512  
1 1 1 2   1  27 o 45.80923 0.6315622 20.20397       0.5662673 24.99669       0.9245886 17.32713       0.7163343 8.370155       1.263124  
1 1 1 2   1  28 o 161.3093 1.707124  260.3418       5.506917  262.6343       7.857141  258.1283       7.720569  1.394867       3.414248  
1 1 1 2   1  29 o 167.3443 1.767682  279.0501       5.894978  293.7076       8.794382  267.0907       7.943861  7.940598       3.535365  
1 1 1 2   1  30 o 156.2473 1.658420  244.3018       5.182465  243.9613       7.321673  244.6437       7.336573  -0.2181549     3.316840  
1 1 1 2   1  31 o 171.4746 2.220682  294.0899       7.165874  295.4413       12.47359  293.4243       8.754715  0.5094757      4.441364  
1 1 1 2   1  32 o 150.6243 2.270135  226.9086       6.830756  220.9467       9.391469  233.6052       9.953288  -4.188309      4.540269  
1 1 1 2   1  33 o 205.9040 3.062665  425.2597       12.61161  427.4594       17.94724  423.1141       17.72582  1.047226       6.125330  
1 1 1 2   1  34 o 149.5471 1.927605  227.0288       5.583862  237.3352       7.156214  210.9871       8.928061  8.856155       3.855211  
1 1 1 2   1  35 o 74.13901 0.8741283 54.88302       1.294406  56.88312       1.890886  53.11923       1.775674  2.536781       1.748257  
1 1 1 2   1  36 o 94.66798 1.282100  91.03722       2.350022  95.54657       3.013443  84.03843       3.754200  6.096298       2.564200  
1 1 1 2   1  37 o 118.1000 1.815066  139.7105       4.285510  142.0885       6.165199  137.4873       5.961201  1.939430       3.630132  
1 1 1 2   1  38 o 72.04574 1.210552  50.99946       1.721275  46.38482       2.225661  57.86723       2.715176  -7.951920      2.421103  
1 1 1 2   1  39 o 105.0509 1.430133  108.8563       2.775105  115.0224       5.063273  106.2086       3.317827  4.112770       2.860265  
1 1 1 2   1  40 f 55.32172 0.7357470 30.30895       0.8093646 27.75183       1.076399  33.63543       1.227695  -5.313343      1.471494  
1 1 1 2   1  41 o 11.59904 1.229017  1.346101       0.2520691 2.803051       0.4012464 0.3962435      0.3239799 10.27122       2.458034  
1 1 1 2   1  42 o 51.01003 0.7148474 25.96060       0.7279553 24.78989       0.9934063 27.31829       1.069802  -2.475662      1.429695  
1 1 1 2   1  43 o 80.83402 0.9476899 64.84888       1.522390  70.48030       2.316875  60.56992       2.019583  6.114838       1.895380  
1 1 1 2   1  44 o 81.71708 1.354393  66.98685       2.213427  67.33192       3.119642  66.63703       3.140983  0.4269104      2.708785  
1 1 1 2   1  45 f 107.0817 1.193517  114.7022       2.551180  119.4449       3.750762  110.6190       3.480233  4.098412       2.387034  
1 1 1 2   1  46 o 64.35213 0.8224083 41.47028       1.058450  41.68070       1.503177  41.26337       1.490649  0.3234787      1.644817  
1 1 1 2   1  47 o 32.03170 0.7126406 10.26894       0.4564515 10.01981       0.6385969 10.52918       0.6526730 -0.7942524     1.425281  
1 1 1 2   1  48 o 60.12338 0.7991216 36.13448       0.9596259 37.70462       1.402323  34.75166       1.316017  2.448898       1.598243  
1 1 1 2   1  49 o 40.03210 0.7165742 15.97483       0.5723253 14.67437       0.7804028 17.48820       0.8418679 -3.509781      1.433148  
1 1 1 2   1  50 o 43.92028 0.7290483 19.25118       0.6391899 20.72654       0.9377467 17.97087       0.8735643 3.131599       1.458097  
1 1 1 2   1  51 o 27.73708 0.7805152 7.697893       0.4325145 7.222774       0.5991898 8.214757       0.6249596 -1.785563      1.561030  
1 1 1 2   1  52 o 4.839315 1.539720  -0.2326109     0.3149488 -0.1525943     0.4511630 -0.3086690     0.4398617 0.4527674      3.079441  
1 1 1 2   1  53 o 74.75620 0.9304570 56.08131       1.391095  55.64871       1.956797  56.52334       1.977983  -0.5821075     1.860914  
1 1 1 2   1  54 o 17.45602 1.142997  3.065764       0.3971264 2.680770       0.5529605 3.475860       0.5707029 -2.274103      2.285993  
1 1 1 2   1  55 o 43.31693 0.7854916 18.80461       0.6801982 18.14959       0.9461866 19.50517       0.9785191 -1.560238      1.570983  
1 1 1 2   1  56 o 36.86101 1.026674  13.98084       0.7006283 12.79426       1.226134  14.55611       0.8537347 -2.458332      2.053348  
1 1 1 2   1  57 o 9.851998 2.338225  0.9083500      0.5338718 1.168750       0.8593940 0.7447058      0.6812743 1.817707       4.676449  
1 1 1 2   1  58 o 18.43073 1.180934  3.428692       0.4349360 3.477557       0.6053540 3.376550       0.6253163 0.2792854      2.361867  
1 1 1 2   1  59 o 30.40483 0.9878452 8.970205       0.5861144 7.885431       0.7368846 10.83843       0.9670399 -4.804050      1.975690  
1 1 1 2   1  60 o 34.40034 1.801504  12.05569       1.236183  11.40670       1.675458  12.83109       1.831381  -1.999348      3.603007  
1 1 1 2   1  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   2  0  o 267.1983 3.070701  692.0861       15.60314  646.2414       19.01476  786.5905       27.30058  -26.16513      6.141401  
1 1 1 2   2  1  o 320.8028 3.636443  1018.750       22.77926  978.4619       28.95664  1084.163       36.89687  -16.36340      7.272885  
1 1 1 2   2  2  o 366.0832 4.450778  1342.869       32.58273  1332.246       45.63888  1353.911       46.53197  -2.943848      8.901556  
1 1 1 2   2  3  f 239.3061 2.497481  571.9471       11.93395  591.7800       17.48330  554.6444       16.32998  7.747986       4.994962  
1 1 1 2   2  4  o 309.3328 3.226403  954.5559       19.89387  919.1924       26.86442  997.4965       29.60287  -12.62317      6.452806  
1 1 1 2   2  5  f 306.6441 3.495164  925.1080       20.71517  881.0114       25.85874  1004.099       34.60928  -19.95416      6.990327  
1 1 1 2   2  6  o 403.6970 4.556670  1632.875       36.40792  1630.176       48.12680  1636.487       55.67014  -0.6520081     9.113340  
1 1 1 2   2  7  o 410.7179 4.267803  1686.072       34.98520  1751.041       51.49027  1630.358       47.68198  14.63065       8.535606  
1 1 1 2   2  8  o 307.3784 3.539599  878.1077       19.86184  1114.363       38.36563  791.6045       23.21493  52.30096       7.079197  
1 1 1 2   2  9  o 377.3048 3.941471  1415.808       29.53979  1345.149       39.16571  1509.036       44.98799  -21.63306      7.882942  
1 1 1 2   2  10 o 375.0367 3.922517  1407.066       29.39144  1374.973       40.48545  1442.829       42.73746  -9.015289      7.845034  
1 1 1 2   2  11 f 264.4373 2.753809  699.7086       14.56379  703.6251       20.69091  695.8630       20.50299  1.466034       5.507619  
1 1 1 2   2  12 o 273.1331 2.841343  746.0921       15.51490  758.0106       22.32718  734.9631       21.57491  4.213745       5.682685  
1 1 1 2   2  13 o 121.2665 1.297205  146.6376       3.138719  153.0925       4.634408  141.1680       4.266072  4.915688       2.594410  
1 1 1 2   2  14 o 446.0062 4.637180  1967.902       40.94144  2150.997       63.55496  1838.024       53.52761  35.00113       9.274360  
1 1 1 2   2  15 o 192.4136 2.018370  367.7520       7.720727  348.4887       10.26968  392.7928       11.70884  -11.50732      4.036740  
1 1 1 2   2  16 o 309.8826 4.171734  955.8253       25.13003  983.7343       40.91463  938.9185       31.84462  7.157745       8.343469  
1 1 1 2   2  17 o 186.0321 1.952019  346.1536       7.262761  346.3321       10.27565  345.9755       10.26655  0.9580994E-01  3.904037  
1 1 1 2   2  18 o 389.1285 4.056855  1513.860       31.54671  1559.491       45.76112  1472.535       43.54863  11.15427       8.113709  
1 1 1 2   2  19 f 279.1990 2.914555  779.9713       16.27475  778.4437       23.03291  781.4943       22.99908  -0.5465698     5.829109  
1 1 1 2   2  20 o 319.2835 3.319486  1019.821       21.18927  1004.341       29.48747  1036.349       30.46892  -5.003601      6.638972  
1 1 1 2   2  21 o 187.2541 1.964458  350.2953       7.348761  341.5774       10.10949  360.0636       10.70117  -4.932526      3.928917  
1 1 1 2   2  22 o 175.2855 1.843825  307.2411       6.461811  303.0479       9.002065  311.6982       9.281084  -2.465622      3.687649  
1 1 1 2   2  23 o 377.6383 3.922602  1427.957       29.61145  1453.776       42.69768  1404.031       41.10174  6.559296       7.845204  
1 1 1 2   2  24 o 210.9725 2.209136  444.4654       9.304786  460.4303       13.65510  430.6270       12.71324  7.052795       4.418271  
1 1 1 2   2  25 o 101.4681 1.110188  102.2742       2.240881  96.61220       2.988333  109.5483       3.387179  -6.371918      2.220375  
1 1 1 2   2  26 o 361.5545 3.760630  1310.493       27.18743  1295.765       37.97410  1325.982       38.94181  -4.153687      7.521260  
1 1 1 2   2  27 o 98.49518 1.083195  97.02208       2.133513  96.05953       2.988259  98.02290       3.047087  -0.9961777     2.166390  
1 1 1 2   2  28 o 248.5755 2.792193  620.3325       13.85058  587.1108       19.88205  651.6569       19.30599  -12.99577      5.584387  
1 1 1 2   2  29 o 230.4673 3.415294  529.7892       15.67074  505.0987       21.00004  560.8147       23.54042  -12.01639      6.830589  
1 1 1 2   2  30 o 41.92405 0.9017379 17.56985       0.7555909 16.68925       1.055979  18.49372       1.081616  -2.151863      1.803476  
1 1 1 2   2  31 o 169.7868 2.543650  288.6326       8.633906  283.5745       12.00091  294.0594       12.43081  -3.076950      5.087299  
1 1 1 2   2  32 o 238.1618 2.493603  568.2755       11.87737  570.8336       16.86378  565.7576       16.73128  1.062073       4.987206  
1 1 1 2   2  33 o 132.4999 1.427985  173.5091       3.745997  161.4035       4.897975  190.5684       5.814403  -10.99002      2.855971  
1 1 1 2   2  34 o 114.1224 1.242163  130.3013       2.834818  131.4628       4.047512  129.1829       3.971640  0.9975510      2.484326  
1 1 1 2   2  35 o 114.0577 1.242681  129.7755       2.827545  135.6763       4.181797  124.8054       3.837816  4.758575       2.485363  
1 1 1 2   2  36 o 145.0811 1.550077  210.7524       4.497372  212.1389       6.408925  209.4073       6.312656  0.9384003      3.100154  
1 1 1 2   2  37 o 107.5954 1.183278  115.6318       2.541948  119.8680       3.728245  111.9518       3.474834  3.671600       2.366555  
1 1 1 2   2  38 f 99.44704 1.107380  98.99064       2.202419  98.30327       3.097276  99.69369       3.132404  -0.6979294     2.214760  
1 1 1 2   2  39 o 164.0513 2.180611  260.8360       6.416482  249.6362       7.483688  291.9200       12.46747  -12.52696      4.361221  
1 1 1 2   2  40 o 79.98044 1.308104  64.09100       2.092448  64.06594       2.955046  64.11619       2.963306  -0.3098297E-01 2.616208  
1 1 1 2   2  41 o 21.31741 0.8813326 4.513868       0.3684875 4.723192       0.5870892 4.377803       0.4733336 0.8055763      1.762665  
1 1 1 2   2  42 o 52.02533 0.7164750 26.47606       0.7353635 30.87019       1.163015  23.54917       0.9491856 7.028374       1.432950  
1 1 1 2   2  43 o 56.66503 0.7489349 32.09496       0.8481662 31.01355       1.172898  33.28032       1.227972  -1.997906      1.497870  
1 1 1 2   2  44 f 17.81939 0.8878230 3.137297       0.3045186 4.495890       0.4616011 2.090428       0.4051990 6.746611       1.775646  
1 1 1 2   2  45 f 51.74879 1.051007  26.82523       1.086655  27.11339       1.576429  26.56435       1.499946  0.5248299      2.102014  
1 1 1 2   2  46 f 52.21470 0.7368636 27.06584       0.7658529 29.72099       1.153717  24.97416       1.024007  4.538151       1.473727  
1 1 1 2   2  47 o 59.54306 0.7898050 35.50447       0.9405003 35.85081       1.338300  35.16652       1.321987  0.5735054      1.579610  
1 1 1 2   2  48 o 58.25534 0.7890841 33.89042       0.9175352 32.37918       1.250257  35.65433       1.350742  -2.803055      1.578168  
1 1 1 2   2  49 o 84.50008 0.9972518 71.57542       1.684681  73.07046       2.424753  70.18024       2.342379  1.701378       1.994504  
1 1 1 2   2  50 o 21.40864 0.9071795 4.604348       0.3850940 5.405506       0.5533398 3.851854       0.5362715 3.626734       1.814359  
1 1 1 2   2  51 o 38.54545 0.7299231 14.79215       0.5608832 16.39443       0.8311371 13.45227       0.7600397 3.809643       1.459846  
1 1 1 2   2  52 o 29.66875 0.7878622 8.806903       0.4669145 8.224496       0.6460132 9.443907       0.6756146 -2.051825      1.575724  
1 1 1 2   2  53 o 17.96942 1.067357  3.243269       0.3770293 4.092080       0.5506474 2.494119       0.5173123 4.441204       2.134714  
1 1 1 2   2  54 o 18.38428 1.205368  3.419527       0.4314996 3.327555       0.6893282 3.478784       0.5533138 -0.4382133     2.410737  
1 1 1 2   2  55 o 34.33350 1.110074  11.61125       0.7503043 13.25432       1.195873  10.54457       0.9635494 3.900677       2.220148  
1 1 1 2   2  56 o 22.51792 1.057042  4.966280       0.4697477 4.192780       0.6096255 6.096775       0.7370000 -4.202709      2.114083  
1 1 1 2   2  57 f 11.75801 1.667616  1.449621       0.3785308 1.326672       0.5236434 1.584186       0.5478216 -1.085211      3.335232  
1 1 1 2   2  58 o 22.13506 1.041179  4.916646       0.4578414 4.172431       0.6287078 5.756923       0.6680530 -3.570049      2.082357  
1 1 1 2   2  59 o 23.19656 1.170737  5.249483       0.5323762 6.365177       0.8642920 4.567362       0.6758006 3.824335       2.341473  
1 1 1 2   2  60 o 30.78793 1.263845  9.410512       0.7662972 8.644985       0.9858849 10.57885       1.217951  -3.066578      2.527689  
1 1 1 2   2  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   3  0  o 358.8347 5.377466  1270.754       38.04657  1412.984       60.13543  1175.821       49.12960  32.81918       10.75493  
1 1 1 2   3  1  o 75.59441 1.188459  56.82010       1.789357  60.71369       2.683177  53.70165       2.401289  4.636650       2.376917  
1 1 1 2   3  2  o 305.1559 3.885887  933.3272       22.46449  930.8215       38.50948  934.6198       27.65809  -0.7812500     7.771774  
1 1 1 2   3  3  o 378.7018 4.212350  1423.085       31.75047  1282.853       42.52864  1599.662       47.72277  -41.74493      8.424701  
1 1 1 2   3  4  f 419.3318 4.812123  1718.225       38.65198  1616.966       47.57106  1914.939       66.30448  -35.18845      9.624246  
1 1 1 2   3  5  o 330.6857 3.689950  1097.146       24.30837  1120.159       33.14508  1070.361       35.75786  7.565918       7.379901  
1 1 1 2   3  6  o 147.6064 1.666759  215.7345       4.803890  208.2153       6.111787  227.8889       7.770504  -6.653824      3.333518  
1 1 1 2   3  7  f 88.95110 0.9714936 78.87795       1.724032  75.75209       2.340869  82.58340       2.548662  -3.839172      1.942987  
1 1 1 2   3  8  o 241.9301 2.523699  584.5012       12.18949  604.7750       17.88639  566.9200       16.65635  7.811966       5.047399  
1 1 1 2   3  9  o 189.1030 1.981844  357.1789       7.485873  347.2524       10.27892  368.3898       10.92372  -5.584213      3.963689  
1 1 1 2   3  10 o 172.7321 1.816826  298.0827       6.270468  290.4173       8.642228  306.6041       9.111971  -4.682693      3.633652  
1 1 1 2   3  11 o 472.4922 4.921594  2230.904       46.38485  2162.169       62.96077  2312.496       68.59724  -15.83160      9.843188  
1 1 1 2   3  12 o 393.5439 4.110033  1548.413       32.31748  1508.322       44.52275  1593.060       46.98416  -10.74368      8.220066  
1 1 1 2   3  13 o 442.9102 4.621191  1940.307       40.51180  1810.861       52.94002  2123.225       62.93138  -35.17542      9.242381  
1 1 1 2   3  14 o 387.9899 4.037440  1505.412       31.30669  1476.805       43.29821  1536.754       45.31963  -7.710541      8.074881  
1 1 1 2   3  15 o 94.76258 1.471089  88.40643       2.756732  81.04217       3.587278  99.02805       4.308198  -9.487946      2.942179  
1 1 1 2   3  16 o 446.6033 4.639312  1995.674       41.41342  1963.027       57.39579  2031.130       59.81386  -7.602509      9.278625  
1 1 1 2   3  17 o 134.6508 1.441678  180.6689       3.868628  174.0059       5.217546  188.8051       5.765540  -5.493805      2.883355  
1 1 1 2   3  18 o 404.9914 4.872694  1637.352       39.36227  1575.284       53.37684  1711.344       58.27893  -16.74521      9.745387  
1 1 1 2   3  19 o 349.2966 3.629738  1221.135       25.35555  1213.994       35.62379  1228.467       36.09722  -2.067383      7.259476  
1 1 1 2   3  20 o 516.5276 5.382605  2672.568       55.58368  2731.437       79.98214  2617.580       77.30080  10.98053       10.76521  
1 1 1 2   3  21 o 284.4243 2.961767  809.4933       16.84552  802.2785       23.58435  817.0079       24.06937  -2.584625      5.923534  
1 1 1 2   3  22 o 147.4783 1.567259  217.5469       4.622404  218.3278       6.581511  216.7868       6.493510  0.5219421      3.134519  
1 1 1 2   3  23 o 171.2315 1.803261  293.1647       6.172664  298.3456       8.892487  288.3471       8.575094  2.916992       3.606522  
1 1 1 2   3  24 o 127.7666 1.366737  162.7175       3.482408  170.4921       5.165533  156.2400       4.714984  5.574158       2.733474  
1 1 1 2   3  25 o 60.83517 0.7419344 36.59118       0.8960021 33.73787       1.182419  40.43917       1.373138  -5.506886      1.483869  
1 1 1 2   3  26 o 303.3484 3.884937  919.3532       22.09006  933.6453       38.84510  912.5223       26.85507  3.148987       7.769875  
1 1 1 2   3  27 o 83.20932 1.333297  69.19976       2.217338  67.56506       3.067661  70.98819       3.208669  -2.055428      2.666593  
1 1 1 2   3  28 o 156.8126 2.350201  246.2006       7.370822  246.0984       10.42524  246.3027       10.42259  -0.6523132E-01 4.700403  
1 1 1 2   3  29 o 253.1408 3.225878  646.4344       15.56724  656.0551       19.36783  628.8746       26.16591  5.551590       6.451757  
1 1 1 2   3  30 o 128.4931 1.380056  165.0672       3.544501  161.8891       4.913108  168.5167       5.118565  -2.576416      2.760113  
1 1 1 2   3  31 f 96.50136 1.069507  92.76952       2.057646  88.59830       2.779549  97.82697       3.060614  -4.778587      2.139015  
1 1 1 2   3  32 o 134.4272 1.442412  179.6466       3.856881  191.6919       5.830357  170.2740       5.142986  7.955429       2.884825  
1 1 1 2   3  33 o 125.9541 1.360053  158.5983       3.423451  155.1979       4.731442  162.3344       4.959595  -2.829170      2.720106  
1 1 1 2   3  34 f 114.6839 1.248008  131.4382       2.859614  128.0195       3.938379  135.2504       4.158832  -3.148445      2.496015  
1 1 1 2   3  35 o 156.4597 1.663485  244.9623       5.202693  240.6134       7.220128  249.6593       7.503489  -2.882950      3.326969  
1 1 1 2   3  36 f 155.8709 1.659108  242.4722       5.156483  254.2004       7.657749  232.7427       6.974746  6.859482       3.318217  
1 1 1 2   3  37 o 192.6836 2.032611  372.2198       7.831080  377.0404       11.22541  367.6495       10.93013  2.422195       4.065222  
1 1 1 2   3  38 f 46.77524 0.6810321 20.92015       0.6212409 26.54863       1.027479  17.67687       0.7799546 9.478268       1.362064  
1 1 1 2   3  39 o 78.24603 0.9145063 61.09786       1.428116  63.88428       2.104077  58.71769       1.944652  3.296532       1.829013  
1 1 1 2   3  40 f 13.67350 0.9459409 1.888253       0.2562149 1.712166       0.3778726 2.038099       0.3485823 -1.192978      1.891882  
1 1 1 2   3  41 o 161.1929 2.098470  262.9152       6.446528  266.7320       8.018455  255.9393       10.84030  3.614960       4.196940  
1 1 1 2   3  42 o 38.17739 0.8887411 14.42197       0.6746152 16.38649       1.021230  12.90094       0.8985934 4.559395       1.777482  
1 1 1 2   3  43 o 95.13654 1.516916  89.09067       2.845752  101.1157       4.504610  81.10408       3.671092  10.44785       3.033832  
1 1 1 2   3  44 o 115.9315 1.553040  135.5205       3.420615  133.2208       5.806052  136.7430       4.233298  -1.670456      3.106081  
1 1 1 2   3  45 o 43.86839 1.009386  19.29229       0.8845437 19.08541       1.278822  19.48206       1.224794  -0.4559135     2.018771  
1 1 1 2   3  46 o 97.70337 1.104724  95.64864       2.157593  93.60247       2.993366  97.86125       3.112727  -2.169014      2.209448  
1 1 1 2   3  47 o 45.71967 0.7117293 20.92944       0.6507393 20.91534       0.9265021 20.94317       0.9141898 -0.3120804E-01 1.423459  
1 1 1 2   3  48 o 30.73225 0.7152715 9.459188       0.4394443 9.442504       0.6306095 9.474937       0.6127131 -0.5407524E-01 1.430543  
1 1 1 2   3  49 o 67.30652 0.8580073 45.13530       1.150515  48.40729       1.722123  42.49766       1.546204  4.373672       1.716015  
1 1 1 2   3  50 o 43.93227 0.7339720 19.22425       0.6429673 20.88863       0.9548074 17.84329       0.8697230 3.458401       1.467944  
1 1 1 2   3  51 o 35.29845 0.7322133 12.48273       0.5168355 12.60283       0.7388970 12.36768       0.7231879 0.3315544      1.464427  
1 1 1 2   3  52 o 18.32958 1.012103  3.373486       0.3705641 3.153944       0.5199816 3.600049       0.5282292 -1.215734      2.024205  
1 1 1 2   3  53 o 12.29215 2.201807  1.523808       0.5365415 2.046727       0.8632439 1.194632       0.6849045 3.202209       4.403614  
1 1 1 2   3  54 o 42.16576 0.9370030 17.57499       0.7476868 17.01946       0.9125451 18.70965       1.304170  -1.942791      1.874006  
1 1 1 2   3  55 o 15.78536 1.177062  2.510043       0.3709131 2.709073       0.5282710 2.316524       0.5209070 1.241870       2.354123  
1 1 1 2   3  56 o 43.51144 0.7819623 18.99416       0.6804824 18.98498       0.9606711 19.00340       0.9640327 -0.2066803E-01 1.563925  
1 1 1 2   3  57 o 33.71406 0.8186187 11.39076       0.5515183 10.87537       0.7622352 11.95705       0.7989919 -1.598122      1.637237  
1 1 1 2   3  58 o 23.49496 0.9715242 5.548050       0.4560160 5.192713       0.6356126 5.924952       0.6546153 -1.554193      1.943048  
1 1 1 2   3  59 o 9.911135 2.363973  0.9169705      0.5433301 0.7498568      0.6867594 1.196588       0.8883437 -1.911425      4.727946  
1 1 1 2   3  60 o 8.987743 2.279959  0.7208591      0.5307651 0.9496752      0.6899329 0.3890961      0.8307638 1.391088       4.559917  
1 1 1 2   3  61 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   4  0  o 337.3860 3.902174  1076.170       24.30922  984.8140       28.72041  1306.954       45.64830  -47.49005      7.804348  
1 1 1 2   4  1  o 379.3704 4.684721  1457.804       35.16829  1630.203       48.48536  1266.404       51.08755  47.99350       9.369442  
1 1 1 2   4  2  o 261.9382 3.372520  681.4528       16.43289  672.1955       19.81032  701.8746       29.42378  -5.544373      6.745041  
1 1 1 2   4  3  f 256.5230 3.781889  658.6241       19.39350  672.0389       27.95625  646.1799       26.92586  5.025558       7.563778  
1 1 1 2   4  4  o 176.0279 2.608472  309.8701       9.177827  315.9374       13.25505  304.2823       12.72028  3.305344       5.216945  
1 1 1 2   4  5  f 260.0445 3.835514  677.1804       19.94567  683.7956       28.47663  670.8096       27.94573  2.489258       7.671028  
1 1 1 2   4  6  o 377.3051 4.889962  1380.180       33.30233  1536.384       63.97733  1322.126       39.00294  27.94250       9.779923  
1 1 1 2   4  7  o 371.6260 3.866505  1379.107       28.66255  1329.904       38.89167  1437.602       42.40587  -14.43967      7.733010  
1 1 1 2   4  8  o 117.6771 1.257731  138.2007       2.954864  143.3194       4.336881  133.7657       4.036849  4.057922       2.515462  
1 1 1 2   4  9  o 428.4529 4.906696  1798.897       40.48837  1696.807       50.20592  1988.790       68.47258  -33.77734      9.813392  
1 1 1 2   4  10 o 429.0279 4.464273  1827.359       38.00556  1722.757       50.14895  1968.499       58.25280  -28.53748      8.928547  
1 1 1 2   4  11 o 166.7534 1.756101  277.5492       5.846152  287.2179       8.580873  269.1736       7.986503  5.408081       3.512202  
1 1 1 2   4  12 o 143.1801 1.681577  190.9369       4.424923  241.0877       8.436666  171.9059       5.197120  24.14842       3.363153  
1 1 1 2   4  13 o 228.2453 2.382929  519.2642       10.84445  499.0376       14.66592  543.6642       16.10806  -9.769730      4.765857  
1 1 1 2   4  14 o 154.6837 2.314220  237.8638       7.124940  225.2681       9.528953  253.8348       10.73001  -9.228714      4.628440  
1 1 1 2   4  15 o 312.8234 3.248816  978.7971       20.31969  992.6498       29.17814  965.7524       28.31410  4.293640       6.497632  
1 1 1 2   4  16 f 419.7694 4.364444  1763.951       36.64117  1761.290       51.78014  1766.619       51.85682  -0.6340942     8.728888  
1 1 1 2   4  17 f 310.0673 3.223697  961.4323       19.98121  944.7990       27.73534  979.3803       28.81074  -5.569122      6.447395  
1 1 1 2   4  18 o 386.8026 4.666408  1498.169       36.09337  1489.944       50.51850  1506.744       51.58570  -2.159912      9.332816  
1 1 1 2   4  19 o 312.8918 3.254364  976.5403       20.30446  940.3807       27.47997  1020.018       30.13272  -12.70300      6.508728  
1 1 1 2   4  20 o 148.2078 1.571159  219.4642       4.652803  214.5402       6.416296  224.9251       6.757036  -3.501862      3.142319  
1 1 1 2   4  21 o 171.5730 1.807831  294.2962       6.200733  299.9708       8.931780  289.0168       8.615113  3.190186       3.615661  
1 1 1 2   4  22 o 96.28368 1.061161  92.62887       2.041770  94.79983       2.960146  90.65868       2.819952  2.149879       2.122322  
1 1 1 2   4  23 o 514.8107 6.628078  2624.442       62.80046  2773.138       115.2746  2561.683       74.88972  19.25970       13.25616  
1 1 1 2   4  24 f 20.45420 0.9057227 4.184416       0.3704582 4.176277       0.5283475 4.192287       0.5195767 -0.3917885E-01 1.811445  
1 1 1 2   4  25 o 116.8285 1.792479  132.6053       4.091089  154.8485       6.709247  119.4397       5.161740  15.13614       3.584958  
1 1 1 2   4  26 f 218.8836 2.835590  471.4217       11.38721  459.0949       13.53677  501.2562       21.05953  -9.469559      5.671180  
1 1 1 2   4  27 o 296.5428 3.089214  879.8375       18.29579  855.8574       25.08988  907.0695       26.73689  -8.594147      6.178427  
1 1 1 2   4  28 o 72.71373 0.8475597 51.92481       1.216633  58.75941       1.916722  47.31301       1.574481  7.868584       1.695119  
1 1 1 2   4  29 o 26.87771 0.5964781 7.225134       0.3205858 7.058300       0.4525836 7.393143       0.4541741 -0.6228943     1.192956  
1 1 1 2   4  30 o 142.5486 1.518882  203.1665       4.327490  207.5273       6.256504  199.1666       5.992049  2.928833       3.037764  
1 1 1 2   4  31 o 71.96841 0.8474531 51.60700       1.216366  54.35973       1.804092  49.31273       1.647021  3.505013       1.694906  
1 1 1 2   4  32 o 145.3384 1.550239  211.1765       4.502364  216.4510       6.530858  206.3990       6.215454  3.452606       3.100478  
1 1 1 2   4  33 o 69.42334 0.8294295 48.13726       1.150562  46.63112       1.585823  49.81128       1.671866  -2.289490      1.658859  
1 1 1 2   4  34 o 80.60938 0.9275159 64.71611       1.490310  68.38165       2.220308  61.71056       2.010507  4.134895       1.855032  
1 1 1 2   4  35 o 27.52794 0.7100901 6.902542       0.3716892 10.03901       0.6630893 5.465518       0.4488315 8.304325       1.420180  
1 1 1 2   4  36 o 192.7945 2.032795  372.6252       7.837794  370.3649       11.01451  374.9437       11.15547  -1.181198      4.065589  
1 1 1 2   4  37 o 51.23712 0.7057698 26.12428       0.7210013 28.02164       1.072434  24.55935       0.9739634 3.376900       1.411540  
1 1 1 2   4  38 o 83.66748 0.9609699 69.87820       1.605062  67.22511       2.190407  72.95470       2.358729  -3.418884      1.921940  
1 1 1 2   4  39 o 72.30298 0.8633889 52.12301       1.245337  49.75687       1.689417  54.93869       1.842925  -3.578781      1.726778  
1 1 1 2   4  40 o 117.2370 1.279210  137.7017       2.999111  136.4676       4.205253  138.9791       4.278463  -1.067085      2.558420  
1 1 1 2   4  41 o 93.31371 1.053655  87.18454       1.966010  88.02888       2.813922  86.37930       2.747965  0.8806381      2.107309  
1 1 1 2   4  42 o 146.5469 1.573214  215.5092       4.610370  217.5030       6.585029  213.5922       6.456952  1.323837       3.146428  
1 1 1 2   4  43 o 8.926193 1.723412  0.8264832      0.3167824 0.7683449      0.4499911 0.8836027      0.4460310 -0.5648813     3.446824  
1 1 1 2   4  44 o 99.90439 1.580891  99.43147       3.138648  107.5344       4.775419  93.26919       4.164474  7.075745       3.161782  
1 1 1 2   4  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   4  46 o 22.99520 0.9023277 5.527304       0.3901799 4.549391       0.6412021 6.102345       0.4916929 -3.387289      1.804655  
1 1 1 2   4  47 f 54.71288 0.7583522 29.92808       0.8291057 28.69463       1.144185  31.29181       1.203097  -2.369411      1.516704  
1 1 1 2   4  48 o 94.25099 1.079837  89.06812       2.034161  90.93549       2.941563  87.35674       2.816018  1.884422       2.159674  
1 1 1 2   4  49 o 59.47291 0.8004574 35.36037       0.9505737 36.82167       1.393285  34.08787       1.300169  2.290073       1.600915  
1 1 1 2   4  50 f 33.27938 0.7255347 10.95336       0.4798037 12.59859       0.7276689 9.687871       0.6381914 4.365154       1.451069  
1 1 1 2   4  51 o 40.84488 1.072598  16.77275       0.8738415 16.51606       1.278233  16.99798       1.197328  -0.6016197     2.145195  
1 1 1 2   4  52 f 33.40822 1.128992  11.28807       0.7482490 10.56036       1.109236  11.89570       1.013588  -2.013813      2.257984  
1 1 1 2   4  53 o 83.78135 1.007684  70.25310       1.684575  67.13313       2.289161  73.93839       2.487928  -4.031372      2.015369  
1 1 1 2   4  54 o 30.17831 0.8140770 9.136784       0.4912771 8.930326       0.6928675 9.345526       0.6966899 -0.6873722     1.628154  
1 1 1 2   4  55 o 43.01952 0.7766028 18.52892       0.6674966 17.45835       0.9233602 19.70076       0.9660518 -2.600391      1.553206  
1 1 1 2   4  56 o 26.73190 0.8872927 7.172127       0.4742258 6.997080       0.6605342 7.358329       0.6812590 -0.6721497     1.774585  
1 1 1 2   4  57 o 16.71417 1.355756  2.939906       0.4099160 4.280038       0.5929849 1.713415       0.5672862 7.824257       2.711513  
1 1 1 2   4  58 f 39.37136 0.8548323 15.42381       0.6674662 16.67560       1.026205  14.50593       0.8787387 2.727600       1.709665  
1 1 1 2   4  59 o 51.86177 1.148807  27.02428       1.184161  26.20496       1.578506  28.07885       1.790830  -1.749058      2.297613  
1 1 1 2   4  60 o 49.24377 1.153062  24.46894       1.130161  24.41958       1.524873  24.52911       1.683446  -0.6618881E-01 2.306123  
1 1 1 2   5  0  o 149.4297 1.575806  222.4400       4.693400  233.9321       6.991985  213.0152       6.331932  6.994980       3.151613  
1 1 1 2   5  1  o 264.6474 2.757132  700.3548       14.58233  715.4398       21.11728  686.6050       20.16101  5.437866       5.514265  
1 1 1 2   5  2  o 220.0790 2.296894  483.4633       10.08934  501.8800       14.84655  467.6597       13.75307  7.765121       4.593789  
1 1 1 2   5  3  o 285.3278 2.973083  814.8394       16.96474  818.1008       24.16296  811.6689       23.82416  1.123322       5.946165  
1 1 1 2   5  4  o 235.0737 2.455920  552.8631       11.54498  547.8734       16.17312  558.0473       16.48549  -2.161087      4.911841  
1 1 1 2   5  5  o 202.0503 2.608558  402.0339       9.703918  392.3007       11.57133  425.1034       17.81446  -8.057785      5.217115  
1 1 1 2   5  6  o 215.6022 3.182798  464.5022       13.70369  451.1800       18.77318  479.6975       20.04963  -6.598633      6.365597  
1 1 1 2   5  7  o 348.2532 5.121054  1206.522       35.42995  1294.483       53.96090  1139.867       46.97367  22.07401       10.24211  
1 1 1 2   5  8  o 410.2549 6.032525  1688.280       49.48898  1703.052       70.76173  1674.138       69.23911  3.494873       12.06505  
1 1 1 2   5  9  o 369.2810 4.743371  1349.392       32.40868  1409.627       58.80052  1323.110       38.84081  11.46381       9.486743  
1 1 1 2   5  10 f 241.7895 2.520082  584.5406       12.18108  574.9833       16.92443  594.8124       17.54565  -4.096985      5.040163  
1 1 1 2   5  11 o 134.0851 1.424978  175.1431       3.738460  201.9209       6.093193  158.9775       4.734275  16.00977       2.849957  
1 1 1 2   5  12 o 472.3920 4.899510  2234.214       46.28797  2224.708       65.12097  2243.923       65.80656  -2.027649      9.799020  
1 1 1 2   5  13 o 460.1573 6.805691  2118.723       62.54214  2191.587       91.47569  2054.767       85.70224  14.79343       13.61138  
1 1 1 2   5  14 o 140.6277 1.493045  197.7358       4.198387  195.4842       5.865690  200.1010       6.011840  -1.641037      2.986089  
1 1 1 2   5  15 o 421.9871 4.385805  1782.338       37.00997  1764.809       51.82428  1800.583       52.87143  -4.229675      8.771609  
1 1 1 2   5  16 o 415.7961 4.315240  1724.914       35.77839  1660.027       48.42221  1802.935       53.09684  -17.14334      8.630480  
1 1 1 2   5  17 o 132.2205 1.409371  174.5721       3.722053  169.8506       5.109210  179.9116       5.433279  -3.803574      2.818742  
1 1 1 2   5  18 o 456.1294 4.736903  2083.924       43.21267  2083.469       61.02888  2084.380       61.19535  -0.9786987E-01 9.473806  
1 1 1 2   5  19 o 288.0824 2.998550  828.7394       17.24434  803.1557       23.54364  858.3491       25.32839  -9.563995      5.997101  
1 1 1 2   5  20 o 419.0509 5.379300  1735.449       41.54525  1825.842       76.02452  1696.962       49.60760  14.91547       10.75860  
1 1 1 2   5  21 o 141.4871 2.129972  199.4395       6.005832  190.8977       8.094955  209.8983       8.957440  -6.707504      4.259945  
1 1 1 2   5  22 o 161.9667 2.423889  262.2716       7.845174  268.5179       11.37753  256.6099       10.83206  3.670090       4.847778  
1 1 1 2   5  23 o 217.2688 2.822503  461.4877       11.15539  446.6677       13.16121  499.2989       21.02239  -11.99823      5.645006  
1 1 1 2   5  24 o 424.1303 4.410103  1804.678       37.40730  1814.908       53.22191  1794.690       52.58760  2.366699       8.820207  
1 1 1 2   5  25 f 136.3923 1.454210  185.9846       3.964666  189.6187       5.722134  182.6291       5.498329  2.560013       2.908420  
1 1 1 2   5  26 f 109.2456 1.186497  118.7332       2.581203  112.8201       3.462084  126.1339       3.873152  -6.089584      2.372994  
1 1 1 2   5  27 o 97.98062 1.078259  95.58625       2.105445  91.12996       2.836787  101.0516       3.141585  -5.060493      2.156518  
1 1 1 2   5  28 o 29.47683 0.5981048 8.413022       0.3468965 10.69846       0.5484883 6.889368       0.4478431 6.460665       1.196210  
1 1 1 2   5  29 o 198.8722 2.090196  393.2784       8.265522  419.7849       12.51997  372.8003       11.00454  11.78415       4.180391  
1 1 1 2   5  30 o 124.6504 1.342640  155.4530       3.347164  155.7418       4.748381  155.1679       4.718965  0.2298203      2.685281  
1 1 1 2   5  31 o 173.9623 1.837080  302.8915       6.390769  305.7462       9.129292  300.1482       8.949224  1.605408       3.674160  
1 1 1 2   5  32 o 32.81908 0.6265128 10.41752       0.4042901 13.35842       0.6399508 8.464174       0.5215498 7.455532       1.253026  
1 1 1 2   5  33 o 218.0668 2.287681  475.2089       9.953995  458.6582       13.53464  494.7069       14.69043  -8.228699      4.575363  
1 1 1 2   5  34 o 82.27521 0.9434758 67.18749       1.543381  72.48728       2.341185  63.11400       2.052530  5.691917       1.886952  
1 1 1 2   5  35 f 150.9621 1.609657  227.9759       4.855757  222.7990       6.702106  233.6958       7.044862  -3.598587      3.219315  
1 1 1 2   5  36 o 123.5792 1.337413  152.8185       3.304084  155.3869       4.757505  150.4255       4.592236  2.002251       2.674826  
1 1 1 2   5  37 o 112.7972 1.235398  127.3504       2.786350  125.8632       3.890934  128.9159       3.991997  -1.349709      2.470796  
1 1 1 2   5  38 f 107.9122 1.188627  115.8078       2.551129  123.9062       3.859721  109.5251       3.399604  6.645271       2.377254  
1 1 1 2   5  39 o 33.63754 0.6316787 11.29408       0.4241169 10.33354       0.5860194 12.35053       0.6145833 -2.997448      1.263357  
1 1 1 2   5  40 o 58.46853 0.7541212 34.15232       0.8810117 32.88876       1.214094  35.55774       1.280429  -2.280170      1.508242  
1 1 1 2   5  41 o 17.92867 0.8102958 3.190701       0.2868702 3.975960       0.4259223 2.538708       0.3881017 4.006789       1.620592  
1 1 1 2   5  42 o 58.77383 0.7630613 34.52407       0.8960150 35.61838       1.303985  33.54520       1.233282  1.760803       1.526123  
1 1 1 2   5  43 o 125.1536 1.362583  157.0994       3.410489  156.1020       4.795448  158.1202       4.851358  -0.8018799     2.725167  
1 1 1 2   5  44 o 21.32635 0.7674479 4.567671       0.3263080 4.266395       0.4692932 4.849662       0.4540238 -1.368290      1.534896  
1 1 1 2   5  45 o 67.29671 0.9175418 44.15087       1.188489  49.75173       2.019788  41.18456       1.469896  6.328880       1.835084  
1 1 1 2   5  46 o 33.17633 0.8189616 11.14898       0.5249960 11.53825       0.6682878 10.52150       0.8484709 1.544506       1.637923  
1 1 1 2   5  47 o 15.58854 1.300145  2.447049       0.4037502 2.699526       0.5714812 2.195439       0.5704980 1.616730       2.600289  
1 1 1 2   5  48 o 64.86037 1.055114  41.91103       1.334202  43.51693       2.159280  40.91927       1.696891  1.951511       2.110228  
1 1 1 2   5  49 o 13.51467 1.722395  2.126157       0.3679085 1.460685       0.7591637 2.330423       0.4206001 -3.455216      3.444790  
1 1 1 2   5  50 o 24.15485 1.253729  5.815681       0.5985155 6.193489       0.9318564 5.550381       0.7808753 1.307249       2.507459  
1 1 1 2   5  51 o 7.530922 1.726671  0.5564384      0.2968252 0.5374086      0.4349703 0.5730231      0.4060670 -0.9684801E-01 3.453341  
1 1 1 2   5  52 f 11.08230 1.427975  1.271395       0.3074395 1.138437       0.4491509 1.388605       0.4217152 -1.325655      2.855950  
1 1 1 2   5  53 o 46.14953 0.7555310 21.30357       0.6961722 22.13184       1.021000  20.58389       0.9517198 1.669029       1.511062  
1 1 1 2   5  54 o 20.77883 0.9856302 4.327987       0.4085295 3.906419       0.5641261 4.792883       0.5924070 -2.128220      1.971260  
1 1 1 2   5  55 o 7.641674 1.886652  0.5309705      0.3558136 0.5760845      0.4929761 0.4819113      0.5140799 0.3212047      3.773303  
1 1 1 2   5  56 o 68.43425 0.9001189 46.96041       1.230531  48.71177       1.794114  45.40472       1.690933  2.397957       1.800238  
1 1 1 2   5  57 o 40.84166 0.8054767 16.72065       0.6573286 17.74643       0.9490188 15.77472       0.9113321 2.407333       1.610953  
1 1 1 2   5  58 o 35.17315 0.9973199 12.47784       0.6985933 12.09392       1.027364  12.80803       0.9527680 -1.031567      1.994640  
1 1 1 2   5  59 o 50.72145 1.138840  25.89660       1.149862  25.37069       1.546065  26.54759       1.720126  -1.112099      2.277679  
1 1 1 2   5  60 o 25.65747 1.671206  6.636750       0.8374012 7.045261       1.354059  6.383743       1.065621  1.171850       3.342413  
1 1 1 2   6  0  o 265.8220 2.770535  706.8333       14.72266  696.2539       20.45716  718.2002       21.20495  -4.120270      5.541070  
1 1 1 2   6  1  o 297.8969 3.102663  888.3019       18.48523  884.2753       26.06060  892.3794       26.22428  -1.358337      6.205326  
1 1 1 2   6  2  o 96.26623 1.045352  92.63131       2.011770  91.04312       2.795881  94.33639       2.896956  -1.710114      2.090705  
1 1 1 2   6  3  f 131.8553 1.403428  171.3321       3.655860  189.8801       5.731600  158.6102       4.746844  11.85263       2.806855  
1 1 1 2   6  4  o 91.93794 1.005222  84.49839       1.847749  83.21005       2.573429  85.86938       2.654687  -1.445976      2.010444  
1 1 1 2   6  5  o 457.5707 5.497651  2008.286       48.36850  2431.071       83.26719  1792.977       59.42171  69.27740       10.99530  
1 1 1 2   6  6  o 452.1810 4.718401  2046.770       42.64323  1997.276       59.01443  2100.849       61.68761  -11.41278      9.436802  
1 1 1 2   6  7  o 361.1902 3.760042  1294.701       26.95330  1394.260       41.27738  1220.697       35.58778  23.96707       7.520085  
1 1 1 2   6  8  o 115.0773 1.501209  133.2113       3.291217  135.0040       4.089649  129.9163       5.544598  2.215652       3.002418  
1 1 1 2   6  9  o 545.8972 8.032946  2990.487       87.68972  3032.015       125.3663  2950.705       122.7006  7.403381       16.06589  
1 1 1 2   6  10 o 398.5895 5.871636  1589.705       46.76348  1633.949       67.93342  1549.859       64.46957  10.51062       11.74327  
1 1 1 2   6  11 o 428.5061 6.315250  1837.181       54.06788  1899.821       78.64820  1781.049       74.45136  13.81052       12.63050  
1 1 1 2   6  12 o 242.6261 3.574738  588.2742       17.32635  573.4783       23.82615  604.8799       25.24137  -6.461700      7.149476  
1 1 1 2   6  13 o 339.5664 4.332944  1148.096       27.50807  1171.518       48.68005  1137.109       33.34163  4.938934       8.665889  
1 1 1 2   6  14 o 480.5854 4.999098  2311.536       48.01788  2278.695       66.51406  2347.281       69.39243  -7.107239      9.998196  
1 1 1 2   6  15 o 579.1326 6.043881  3359.333       69.97250  3306.551       97.22553  3416.047       100.7824  -9.409241      12.08776  
1 1 1 2   6  16 o 204.3460 2.141352  417.3681       8.745249  409.6012       12.09823  425.8677       12.65591  -3.977463      4.282705  
1 1 1 2   6  17 o 438.4881 5.508807  1955.025       46.88881  1801.659       74.36474  2056.235       60.41055  -29.22015      11.01761  
1 1 1 2   6  18 o 193.5342 2.873511  372.6110       11.06729  395.9441       16.67489  354.2399       14.79603  10.75912       5.747022  
1 1 1 2   6  19 o 112.1259 1.733173  116.1938       3.637976  100.7813       4.324740  153.4951       6.727995  -23.49310      3.466347  
1 1 1 2   6  20 o 245.4420 3.154372  597.8958       14.39817  589.2614       17.34979  616.9973       25.80555  -5.552628      6.308745  
1 1 1 2   6  21 o 182.4145 1.924293  327.7260       6.925014  363.4839       10.91896  303.6647       8.956843  16.38010       3.848587  
1 1 1 2   6  22 o 171.0592 1.803017  291.8971       6.153304  281.3813       8.358702  304.3377       9.091594  -6.703461      3.606034  
1 1 1 2   6  23 o 286.3841 2.982310  820.9390       17.07464  808.5610       23.74245  834.1984       24.57336  -4.462036      5.964621  
1 1 1 2   6  24 o 76.71975 0.8818504 57.60799       1.332394  52.12950       1.712323  66.01567       2.121259  -9.047531      1.763701  
1 1 1 2   6  25 o 123.6220 1.328340  152.6260       3.279724  157.5624       4.791585  148.2746       4.498716  3.753510       2.656681  
1 1 1 2   6  26 o 72.41781 0.8421461 51.96875       1.211443  56.48843       1.848307  48.56480       1.604024  5.469131       1.684292  
1 1 1 2   6  27 o 258.1650 2.694590  667.3769       13.90952  659.4222       19.41391  675.7675       19.93865  -3.154510      5.389181  
1 1 1 2   6  28 o 131.9941 1.413727  174.0267       3.727091  169.1442       5.114628  179.5552       5.442436  -3.939682      2.827454  
1 1 1 2   6  29 o 138.1469 1.475420  190.9246       4.075997  189.0849       5.710589  192.8352       5.819618  -1.355835      2.950840  
1 1 1 2   6  30 o 166.9235 1.768182  278.7426       5.900427  283.5850       8.496941  274.2328       8.199912  2.795898       3.536365  
1 1 1 2   6  31 o 140.3785 1.500036  197.1914       4.211249  196.1935       5.920872  198.2130       5.990958  -0.7181091     3.000071  
1 1 1 2   6  32 o 63.73087 0.7802958 40.18860       0.9876972 37.10180       1.306345  44.30809       1.509126  -5.651699      1.560592  
1 1 1 2   6  33 o 123.3810 1.333344  152.2867       3.289187  154.6049       4.722284  150.1022       4.584023  1.821938       2.666687  
1 1 1 2   6  34 o 85.44563 0.9716916 72.82667       1.657043  69.89701       2.256238  76.25730       2.441540  -3.718788      1.943383  
1 1 1 2   6  35 o 86.76107 0.9849668 74.93096       1.702395  79.52983       2.547885  71.22207       2.288111  4.782303       1.969934  
1 1 1 2   6  36 o 57.44376 0.7422971 32.83696       0.8498302 35.04387       1.268137  31.03796       1.144962  3.484566       1.484594  
1 1 1 2   6  37 o 67.15015 0.8172470 44.55855       1.088114  49.30870       1.678073  41.11226       1.429332  6.096886       1.634494  
1 1 1 2   6  38 o 106.9256 1.178052  114.4819       2.519253  114.1306       3.553163  114.8370       3.572440  -0.3295441     2.356103  
1 1 1 2   6  39 o 58.30099 0.7522522 33.35443       0.8660666 38.16231       1.363319  30.10136       1.121419  6.905750       1.504504  
1 1 1 2   6  40 o 83.57240 0.9667567 69.79129       1.613460  72.31329       2.361174  67.58214       2.209886  2.823906       1.933513  
1 1 1 2   6  41 o 17.10001 0.8372404 2.911054       0.2836373 3.516116       0.4173746 2.391838       0.3866343 3.286076       1.674481  
1 1 1 2   6  42 o 104.1814 1.257068  107.7056       2.561079  113.9076       4.125164  103.8157       3.266953  4.784744       2.514136  
1 1 1 2   6  43 o 51.29246 0.7243730 26.31712       0.7428682 25.53307       1.036428  27.14548       1.065316  -1.570499      1.448746  
1 1 1 2   6  44 o 42.60079 0.6857648 17.89258       0.5796404 20.49083       0.8901421 15.97973       0.7637647 5.288521       1.371530  
1 1 1 2   6  45 o 39.98153 0.6873533 15.95900       0.5486054 16.67750       0.8063390 15.33977       0.7485684 1.669880       1.374707  
1 1 1 2   6  46 o 28.00101 0.7120639 7.646763       0.3935544 9.434136       0.6156744 6.411819       0.5117610 5.390425       1.424128  
1 1 1 2   6  47 o 10.81954 1.794145  1.167869       0.3333448 1.317965       0.7030925 1.124347       0.3786011 0.8059559      3.588289  
1 1 1 2   6  48 o 70.62365 1.819834  50.12614       2.570466  50.12614       2.570466  ?              ?         ?              ?         
1 1 1 2   6  49 o 16.16373 1.269211  2.627041       0.4092917 2.875324       0.5851786 2.389253       0.5726755 1.501718       2.538422  
1 1 1 2   6  50 o 19.39435 1.044303  3.607869       0.3958304 4.825854       0.6406120 2.855663       0.5034336 5.060608       2.088605  
1 1 1 2   6  51 o 56.40283 0.7919859 31.77390       0.8909326 33.39549       1.320700  30.41969       1.206912  2.625629       1.583972  
1 1 1 2   6  52 o 23.45020 0.8185583 5.498374       0.3829700 5.733307       0.5657730 5.299698       0.5202846 0.9190826      1.637117  
1 1 1 2   6  53 o 32.93228 0.7540480 10.71266       0.4928634 12.31347       0.7548734 9.523191       0.6506992 4.223688       1.508096  
1 1 1 2   6  54 o 26.79855 0.8095524 7.210080       0.4325023 7.140557       0.6360474 7.269873       0.5898616 -0.2478542     1.619105  
1 1 1 2   6  55 o 66.82481 0.8798339 44.64490       1.172095  47.10125       1.744331  42.62286       1.582628  3.324890       1.759668  
1 1 1 2   6  56 f 19.38202 1.217068  3.749939       0.4693416 3.399666       0.6266899 4.197343       0.7082704 -2.037991      2.434136  
1 1 1 2   6  57 o 19.58333 1.210917  3.890479       0.4688190 3.727535       0.7107419 4.015981       0.6237612 -0.7598171     2.421833  
1 1 1 2   6  58 o 29.09486 1.190428  8.281979       0.6792362 7.295079       0.8630944 9.887640       1.100902  -4.391342      2.380856  
1 1 1 2   6  59 o 11.36328 2.257884  1.385212       0.5257828 1.448761       0.6632993 1.277774       0.8624474 0.5561695      4.515769  
1 1 1 2   6  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   7  0  o 180.8774 1.896328  326.9354       6.853997  319.6259       9.457891  335.0197       9.946594  -4.252243      3.792655  
1 1 1 2   7  1  o 354.8484 3.693917  1260.729       26.21444  1256.610       36.87402  1264.938       37.27485  -1.168518      7.387833  
1 1 1 2   7  2  o 261.2532 2.720856  682.8045       14.21303  690.6329       20.37422  675.3835       19.83705  2.913849       5.441713  
1 1 1 2   7  3  o 86.52003 0.9516574 74.83502       1.646268  75.96297       2.362871  73.77097       2.294962  1.266571       1.903315  
1 1 1 2   7  4  o 279.8586 2.913634  778.9656       16.22116  740.5912       21.64781  828.1002       24.49560  -15.61130      5.827268  
1 1 1 2   7  5  o 174.7718 1.839663  305.5077       6.430183  307.5344       9.142265  303.5237       9.045808  1.146957       3.679327  
1 1 1 2   7  6  o 274.8127 2.864851  754.7960       15.73348  775.3887       22.80785  736.1000       21.73212  7.141327       5.729703  
1 1 1 2   7  7  o 428.2639 4.458646  1825.070       37.96409  1740.566       50.55115  1934.386       57.49537  -22.56573      8.917293  
1 1 1 2   7  8  o 175.6275 1.845632  308.2472       6.478369  315.1084       9.373861  301.9734       8.963503  3.738007       3.691263  
1 1 1 2   7  9  o 123.2878 1.327064  151.4048       3.261804  159.3324       4.851508  144.8652       4.406334  5.866135       2.654127  
1 1 1 2   7  10 f 391.0626 5.741925  1530.232       44.86375  1568.089       65.21275  1496.215       61.81718  9.153473       11.48385  
1 1 1 2   7  11 o 329.7001 3.429350  1081.350       22.50285  1149.716       33.88953  1027.436       30.09499  18.51913       6.858699  
1 1 1 2   7  12 o 527.5941 6.973493  2689.388       64.79498  2583.739       74.80937  3006.656       129.6390  -39.34253      13.94699  
1 1 1 2   7  13 f 355.0151 5.219269  1246.966       36.66956  1163.640       47.89669  1364.978       57.00043  -28.26132      10.43854  
1 1 1 2   7  14 o 415.5077 8.683600  0.000000       0.000000  ?              ?         1730.311       72.16205  ?              ?         
1 1 1 2   7  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   7  16 o 66.86520 1.574935  0.000000       0.000000  ?              ?         44.71354       2.106167  ?              ?         
1 1 1 2   7  17 o 277.9333 4.095636  766.9818       22.60051  723.0392       29.88591  825.6797       34.54095  -18.41101      8.191272  
1 1 1 2   7  18 o 221.6521 2.318249  488.9385       10.23078  465.9109       13.71323  517.8444       15.36411  -11.70291      4.636497  
1 1 1 2   7  19 o 508.7426 5.283238  2592.991       53.70951  2534.856       74.12858  2657.237       77.92714  -11.95419      10.56648  
1 1 1 2   7  20 o 166.9752 1.765378  276.7141       5.857822  297.6976       8.909861  260.7389       7.774204  11.05859       3.530756  
1 1 1 2   7  21 o 364.4221 3.786957  1329.883       27.58665  1307.673       38.28340  1353.872       39.78683  -6.310760      7.573914  
1 1 1 2   7  22 o 127.9403 1.369589  163.6690       3.503290  166.1131       5.034533  161.3745       4.877975  1.850677       2.739178  
1 1 1 2   7  23 o 191.1420 2.007090  364.9822       7.661355  376.7397       11.20669  354.6655       10.49762  5.765182       4.014179  
1 1 1 2   7  24 o 150.5392 1.598563  225.4917       4.791269  214.3924       6.420443  239.4413       7.197735  -8.310394      3.197125  
1 1 1 2   7  25 o 64.54016 0.7717394 41.26723       0.9899938 38.31551       1.313862  45.14440       1.505810  -5.289223      1.543479  
1 1 1 2   7  26 o 178.7977 1.884213  319.7888       6.735068  324.7711       9.692231  315.1364       9.365804  2.689514       3.768426  
1 1 1 2   7  27 f 118.1909 1.279018  138.3090       2.997992  150.4945       4.612449  129.3950       3.944972  8.918785       2.558036  
1 1 1 2   7  28 o 292.5468 3.050034  857.8837       17.84542  856.0161       25.17873  859.7687       25.29613  -0.6380920     6.100068  
1 1 1 2   7  29 f 156.0463 1.654958  243.6805       5.164793  244.8442       7.343600  242.5415       7.265269  0.7365265      3.309916  
1 1 1 2   7  30 o 217.0688 2.278008  471.8003       9.887247  465.9741       13.80002  477.9456       14.17278  -2.748306      4.556015  
1 1 1 2   7  31 o 180.2590 1.901353  325.1306       6.851253  331.2118       9.879364  319.4962       9.509486  3.241287       3.802706  
1 1 1 2   7  32 o 197.7130 2.079819  391.4599       8.222107  386.6927       11.47579  396.4883       11.78604  -2.468185      4.159638  
1 1 1 2   7  33 o 14.91136 0.9511936 2.311871       0.2627959 1.303662       0.3656197 3.389446       0.3779879 -6.993772      1.902387  
1 1 1 2   7  34 o 60.31812 0.7600808 36.32370       0.9155998 37.64544       1.339266  35.16383       1.254585  2.055882       1.520162  
1 1 1 2   7  35 o 140.6696 1.506162  198.1700       4.237422  198.2044       5.996483  198.1356       5.988762  0.2418518E-01  3.012323  
1 1 1 2   7  36 o 81.96902 0.9453902 66.54581       1.537527  72.55396       2.360782  62.12017       2.026158  6.355804       1.890780  
1 1 1 2   7  37 o 72.02007 0.8585019 51.90447       1.236584  51.83312       1.750016  51.97561       1.747573  -0.9899139E-01 1.717004  
1 1 1 2   7  38 o 30.69330 0.6398946 9.355279       0.3904431 8.023165       0.5297841 10.93901       0.5776562 -4.748871      1.279789  
1 1 1 2   7  39 o 53.71422 0.7201282 28.87125       0.7735744 28.83395       1.099778  28.90779       1.088310  -0.6909943E-01 1.440256  
1 1 1 2   7  40 o 105.0321 1.163848  109.9856       2.435404  116.3468       3.641625  104.8386       3.275723  5.458275       2.327697  
1 1 1 2   7  41 o 87.53925 1.408268  76.44202       2.456068  81.45752       3.674623  72.39215       3.301989  5.150223       2.816536  
1 1 1 2   7  42 o 46.78376 0.6995958 21.80380       0.6530899 20.25252       0.8892025 23.62079       0.9623448 -3.596943      1.399192  
1 1 1 2   7  43 o 64.43741 0.8127767 40.95673       1.038029  37.17117       1.360912  46.22279       1.605121  -7.010292      1.625553  
1 1 1 2   7  44 o 23.50373 0.7222943 5.538779       0.3386635 5.390916       0.4930917 5.670809       0.4659454 -0.5967999     1.444589  
1 1 1 2   7  45 o 33.65969 0.9045538 11.11718       0.5501409 11.89633       1.045897  10.81915       0.6468553 1.571159       1.809108  
1 1 1 2   7  46 o 53.07444 1.087402  28.16367       1.149976  29.26095       1.714209  27.26575       1.550681  1.863495       2.174804  
1 1 1 2   7  47 o 39.79513 0.8725489 16.22878       0.6585587 17.09548       0.8236759 14.69293       1.096469  3.042816       1.745098  
1 1 1 2   7  48 o 42.70628 0.7104184 18.16172       0.6046825 19.53147       0.9023061 17.04508       0.8146906 2.904148       1.420837  
1 1 1 2   7  49 o 69.58974 0.8731237 48.41684       1.212615  50.59539       1.786967  46.55744       1.650896  2.886681       1.746247  
1 1 1 2   7  50 o 65.94302 0.9283260 43.62954       1.212917  43.64500       1.609506  43.60923       1.845196  0.5643463E-01  1.856652  
1 1 1 2   7  51 o 19.37284 1.159182  3.776461       0.4485570 3.993610       0.6340877 3.558946       0.6346233 1.121925       2.318363  
1 1 1 2   7  52 o 46.41289 1.007907  21.61164       0.9348065 21.14034       1.290652  22.13171       1.355784  -1.058273      2.015813  
1 1 1 2   7  53 o 74.00878 0.9270684 54.99575       1.371848  55.15601       1.964507  54.84321       1.916553  0.2037659      1.854137  
1 1 1 2   7  54 o 33.66531 0.7693974 11.35062       0.5169854 11.61262       0.7592056 11.12409       0.7059511 0.7183418      1.538795  
1 1 1 2   7  55 o 14.26370 1.325586  2.046256       0.3744961 2.105786       0.5742928 2.002213       0.4939713 0.3429594      2.651171  
1 1 1 2   7  56 o 50.76864 0.9800018 25.89994       0.9784949 26.00254       1.530843  25.82906       1.272340  0.1199837      1.960004  
1 1 1 2   7  57 o 29.98566 1.079949  8.975755       0.6442818 7.855669       0.8688597 10.34398       0.9602897 -4.127260      2.159899  
1 1 1 2   7  58 o 15.33584 2.309185  2.483850       0.6002482 2.492711       0.6839480 2.454148       1.252207  0.6614180      4.618370  
1 1 1 2   7  59 o 38.44262 1.122614  14.87061       0.8571386 14.58221       1.141798  15.24298       1.297413  -0.8156052     2.245228  
1 1 1 2   7  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   8  0  o 501.2715 5.673438  2496.605       55.66835  2620.054       89.27494  2418.066       71.20764  19.91083       11.34688  
1 1 1 2   8  1  o 82.73006 0.9304556 67.55160       1.524496  62.45671       1.994526  74.71039       2.364245  -7.405037      1.860911  
1 1 1 2   8  2  o 360.3853 3.739518  1296.350       26.88957  1349.118       39.69213  1251.590       36.55630  13.50549       7.479035  
1 1 1 2   8  3  o 435.2549 4.523495  1894.706       39.33755  1854.229       54.20479  1939.745       57.17759  -9.795837      9.046990  
1 1 1 2   8  4  o 484.8636 5.042786  2325.469       48.37619  2171.140       63.14137  2544.816       75.27567  -38.41351      10.08557  
1 1 1 2   8  5  o 499.1198 5.205467  2461.955       51.32120  2300.078       66.66563  2697.456       80.40937  -39.67328      10.41093  
1 1 1 2   8  6  o 280.8746 2.923616  789.1297       16.42143  781.5983       23.00954  796.9480       23.44336  -2.730164      5.847231  
1 1 1 2   8  7  o 382.8310 3.986660  1466.386       30.51571  1450.455       42.56395  1483.234       43.77291  -4.272278      7.973319  
1 1 1 2   8  8  o 247.4333 3.646807  610.2793       17.98712  640.7047       26.77243  585.2462       24.28444  11.18985       7.293614  
1 1 1 2   8  9  o 197.9915 2.074390  391.2606       8.199060  405.2323       12.04046  379.1799       11.19598  6.575806       4.148780  
1 1 1 2   8  10 f 224.9628 2.881337  506.1828       12.20651  506.7084       21.20176  505.9223       14.92897  0.1398621      5.762674  
1 1 1 2   8  11 o 354.6652 5.216725  1259.089       36.98578  1281.239       53.30934  1238.532       51.35686  6.000519       10.43345  
1 1 1 2   8  12 o 453.3997 6.668937  2047.237       60.13898  1938.808       80.15231  2186.906       90.96976  -27.21274      13.33787  
1 1 1 2   8  13 o 76.25995 1.233393  58.06623       1.878604  59.89495       2.744026  56.45298       2.577301  2.256294       2.466786  
1 1 1 2   8  14 o 473.8653 6.117033  2190.423       52.64698  2110.946       61.99443  2395.992       99.70311  -29.53485      12.23407  
1 1 1 2   8  15 o 361.7423 4.552615  1325.403       31.77767  1370.255       40.35850  1252.231       51.54849  16.44547       9.105230  
1 1 1 2   8  16 o 386.4466 5.686107  1483.955       43.61221  1395.933       57.58152  1602.391       66.79240  -26.56033      11.37221  
1 1 1 2   8  17 o 446.5169 6.574830  2000.943       58.69936  1970.444       81.85729  2033.229       84.22001  -6.979950      13.14966  
1 1 1 2   8  18 o 60.07607 1.015077  36.09465       1.219625  35.89445       1.721041  36.29663       1.728605  -0.3347054     2.030154  
1 1 1 2   8  19 o 236.1725 3.215987  545.3867       14.41607  599.4160       25.16579  518.9974       17.58777  16.92113       6.431973  
1 1 1 2   8  20 o 225.6592 2.878006  512.7245       12.38850  499.9880       20.81093  519.7153       15.41794  -4.446060      5.756011  
1 1 1 2   8  21 o 48.51497 0.6523393 23.39475       0.6306798 21.89757       0.8489295 25.23889       0.9421722 -3.443260      1.304679  
1 1 1 2   8  22 o 166.6041 1.760759  276.4440       5.844381  291.7041       8.736971  264.0859       7.862436  8.278824       3.521518  
1 1 1 2   8  23 o 215.8270 2.259877  465.9593       9.748570  475.5965       14.09220  457.1152       13.49999  4.271622       4.519753  
1 1 1 2   8  24 f 188.8948 1.985603  356.9529       7.498216  351.2865       10.42357  363.0294       10.79431  -3.102386      3.971207  
1 1 1 2   8  25 f 100.7934 1.108881  101.6058       2.235158  100.5401       3.135337  102.7070       3.187284  -1.074455      2.217763  
1 1 1 2   8  26 o 109.1198 1.188878  118.3197       2.580676  126.4726       3.900065  111.9695       3.441967  6.641037       2.377756  
1 1 1 2   8  27 o 184.4659 1.942726  340.0899       7.158436  330.9003       9.833736  350.4487       10.44061  -5.288010      3.885451  
1 1 1 2   8  28 o 88.25256 0.9927947 77.85662       1.751585  76.28885       2.434109  79.54031       2.522485  -1.841286      1.985589  
1 1 1 2   8  29 o 174.6679 1.843907  305.1845       6.437521  311.3074       9.299823  299.5515       8.920103  3.357773       3.687813  
1 1 1 2   8  30 o 271.0972 2.831077  734.9299       15.31529  764.1838       22.58384  710.0210       20.83936  9.932770       5.662155  
1 1 1 2   8  31 o 58.73592 0.7465381 34.25423       0.8731937 31.87646       1.170307  37.24025       1.311481  -4.564625      1.493076  
1 1 1 2   8  32 o 162.7290 1.726546  263.9310       5.597075  278.4027       8.371490  252.2327       7.526660  8.018204       3.453092  
1 1 1 2   8  33 o 153.5764 1.634890  235.5158       5.010278  227.0529       6.816087  245.4635       7.389847  -5.977600      3.269779  
1 1 1 2   8  34 o 121.8888 1.322689  148.3278       3.217019  154.3771       4.745858  143.1853       4.375751  4.580391       2.645379  
1 1 1 2   8  35 o 101.9159 1.127959  103.5288       2.291491  109.0727       3.412323  98.97522       3.092541  4.944763       2.255919  
1 1 1 2   8  36 o 92.67188 1.042444  85.92501       1.931402  87.27237       2.776655  84.66203       2.688318  1.405533       2.084888  
1 1 1 2   8  37 o 96.20496 1.075836  92.31795       2.063970  96.92077       3.063055  88.49002       2.793344  4.371758       2.151673  
1 1 1 2   8  38 o 43.02244 0.6552680 18.51082       0.5635453 18.75153       0.8119082 18.28705       0.7828337 0.5390282      1.310536  
1 1 1 2   8  39 o 107.1536 1.183443  114.5383       2.527452  120.6687       3.767070  109.5195       3.408485  5.183098       2.366886  
1 1 1 2   8  40 o 71.78174 0.8621663 51.36982       1.234055  54.21333       1.833180  49.01336       1.668812  3.614952       1.724333  
1 1 1 2   8  41 o 89.77232 1.024991  80.06718       1.828833  86.39566       2.780111  75.23949       2.428184  6.193962       2.049983  
1 1 1 2   8  42 o 53.49964 0.7302602 28.53666       0.7790441 30.03963       1.156959  27.28991       1.053732  2.565292       1.460520  
1 1 1 2   8  43 o 66.62863 1.038118  44.56503       1.290092  44.27686       2.277999  44.70108       1.565303  -0.3694077     2.076235  
1 1 1 2   8  44 o 34.26027 1.022596  11.78949       0.6965511 10.21769       0.9764214 13.41826       0.9939565 -4.669630      2.045191  
1 1 1 2   8  45 o 63.20607 1.180332  40.09467       1.491411  39.68192       2.135007  40.48803       2.084255  -0.6427765     2.360663  
1 1 1 2   8  46 o 34.32214 0.6906848 11.77242       0.4731149 10.73771       0.6547270 12.90315       0.6844321 -3.152576      1.381370  
1 1 1 2   8  47 o 10.11694 1.420179  1.093643       0.2781476 0.7301884      0.4084426 1.407966       0.3798339 -3.452237      2.840358  
1 1 1 2   8  48 o 8.145480 1.623298  0.6929576      0.2788803 0.5503139      0.4151883 0.8102217      0.3764447 -1.295439      3.246595  
1 1 1 2   8  49 o 37.69775 0.7147247 14.22030       0.5384804 14.68513       0.7799000 13.79684       0.7443928 1.174923       1.429449  
1 1 1 2   8  50 o 33.97735 0.7203023 11.57683       0.4890365 11.28975       0.7010581 11.84892       0.6825187 -0.8246689     1.440605  
1 1 1 2   8  51 o 21.98011 0.8425744 4.821225       0.3694168 5.194723       0.5470886 4.508208       0.5008384 1.556000       1.685149  
1 1 1 2   8  52 o 20.20463 0.8988263 4.084899       0.3618163 4.226604       0.5394113 3.968996       0.4878381 0.6302910      1.797653  
1 1 1 2   8  53 o 58.40549 1.107247  34.31219       1.293093  33.99363       1.806335  34.64704       1.851938  -0.5505180     2.214494  
1 1 1 2   8  54 o 36.50846 0.9868093 13.32825       0.7187476 14.55870       1.059253  12.27832       0.9784716 3.108841       1.973619  
1 1 1 2   8  55 o 65.40692 0.9865056 43.00021       1.289971  43.41948       1.854314  42.60703       1.795688  0.6096878      1.973011  
1 1 1 2   8  56 f 36.89141 1.020790  13.69581       0.7530751 13.71626       1.057192  13.67474       1.073002  0.5971909E-01  2.041581  
1 1 1 2   8  57 o 19.52483 1.306268  3.852771       0.5099942 3.954735       0.7238352 3.752255       0.7186739 0.5170307      2.612536  
1 1 1 2   8  58 o 23.40408 1.184281  5.543951       0.5517557 4.915932       0.7780902 6.179155       0.7825294 -2.697468      2.368563  
1 1 1 2   8  59 o 42.95658 1.367456  18.59422       1.080452  18.93929       1.966319  18.44498       1.293168  0.3548317      2.734912  
1 1 1 2   9  0  o 317.9088 3.302691  1011.032       20.99538  1001.357       29.36543  1021.151       30.02962  -3.109222      6.605382  
1 1 1 2   9  1  o 415.6450 4.318196  1702.670       35.41308  1578.366       45.81955  1887.078       55.80814  -37.05771      8.636392  
1 1 1 2   9  2  o 367.4943 3.821728  1351.478       28.08846  1343.816       39.54059  1359.282       39.90813  -2.101776      7.643456  
1 1 1 2   9  3  o 534.9490 5.595995  2838.374       59.35300  2668.091       78.06072  3071.724       91.37972  -37.58990      11.19199  
1 1 1 2   9  4  f 387.4505 4.026946  1501.027       31.17550  1533.589       45.26075  1471.631       43.00346  7.978760       8.053891  
1 1 1 2   9  5  o 549.5903 5.717210  3024.506       62.81516  2986.456       87.34050  3065.274       90.40694  -7.137695      11.43442  
1 1 1 2   9  6  o 361.0191 5.305810  1298.259       38.12520  1237.977       51.01980  1374.487       57.37180  -18.84164      10.61162  
1 1 1 2   9  7  o 518.3895 6.581428  2700.718       64.58086  2671.781       110.6573  2715.664       79.52983  -4.625732      13.16286  
1 1 1 2   9  8  o 594.3947 8.749944  3425.049       100.8585  3083.109       125.5910  4046.112       169.2589  -80.25317      17.49989  
1 1 1 2   9  9  o 439.2815 6.459630  1929.544       56.64202  1863.624       77.26485  2006.128       83.28085  -16.14270      12.91926  
1 1 1 2   9  10 o 629.3330 9.273072  3884.832       114.3167  3541.800       145.1763  4444.637       185.4587  -70.96558      18.54614  
1 1 1 2   9  11 o 139.7913 1.797599  198.2003       4.871560  207.6591       6.255136  183.6189       7.766406  8.604385       3.595198  
1 1 1 2   9  12 o 251.7458 2.634437  634.0508       13.26414  633.1993       18.76972  634.9004       18.74696  -0.3379974     5.268874  
1 1 1 2   9  13 o 594.2643 6.182765  3506.918       72.85891  3295.735       95.87478  3795.583       112.0914  -41.80066      12.36553  
1 1 1 2   9  14 o 169.1519 1.782402  286.0956       6.028242  282.2360       8.406326  290.1816       8.649307  -2.347473      3.564804  
1 1 1 2   9  15 o 160.6902 1.699520  257.6869       5.451551  249.2801       7.439709  267.4352       8.011298  -5.646133      3.399040  
1 1 1 2   9  16 o 251.8856 3.036550  634.9130       15.29493  628.6515       21.40679  641.4429       21.86096  -2.534409      6.073101  
1 1 1 2   9  17 o 123.1405 1.327437  151.6649       3.269218  151.2490       4.618714  152.0824       4.628044  -0.3383408     2.654873  
1 1 1 2   9  18 o 238.1065 2.486217  567.1103       11.83448  576.2863       17.04031  558.5607       16.44834  3.715683       4.972435  
1 1 1 2   9  19 o 55.82675 0.8537502 30.33908       0.8841266 29.04131       1.056432  33.37297       1.615262  -3.877186      1.707500  
1 1 1 2   9  20 o 175.8512 2.620646  307.5355       9.165260  291.5805       12.21304  328.1052       13.86725  -10.36081      5.241292  
1 1 1 2   9  21 o 112.6073 1.718366  126.7940       3.868117  129.2458       5.576406  124.5202       5.370113  2.096024       3.436732  
1 1 1 2   9  22 o 230.2476 3.405294  531.4304       15.68115  532.3324       22.21428  530.5345       22.13891  0.3885040      6.810587  
1 1 1 2   9  23 o 85.58467 1.169292  73.84017       1.917365  71.25095       3.181088  75.31754       2.402897  -2.383018      2.338584  
1 1 1 2   9  24 o 149.0780 1.583455  221.8203       4.711601  214.3307       6.422574  230.5480       6.933093  -5.432907      3.166910  
1 1 1 2   9  25 f 256.3103 2.676902  657.6246       13.71506  670.1523       19.78639  646.0390       19.02787  4.687271       5.353804  
1 1 1 2   9  26 o 161.7368 1.712936  260.7690       5.523058  273.8909       8.215637  249.9485       7.460432  7.390030       3.425873  
1 1 1 2   9  27 o 80.46242 0.9212830 64.42738       1.477314  61.06204       1.989889  68.56014       2.205127  -4.657494      1.842566  
1 1 1 2   9  28 o 206.2944 2.166707  425.7311       8.931609  416.4726       12.32419  435.9731       12.96237  -4.711868      4.333414  
1 1 1 2   9  29 o 52.41537 0.7013941 27.29584       0.7327408 25.21530       0.9880925 29.83797       1.092218  -4.408829      1.402788  
1 1 1 2   9  30 o 203.6760 2.140649  415.2618       8.715514  407.9321       12.09557  423.1768       12.56927  -3.729584      4.281298  
1 1 1 2   9  31 o 122.6537 1.329517  148.2066       3.219451  164.8347       5.063088  136.9198       4.171362  11.36156       2.659033  
1 1 1 2   9  32 f 136.7360 1.467091  187.1046       4.011126  189.4496       5.748372  184.8793       5.599724  1.667603       2.934182  
1 1 1 2   9  33 o 187.2475 1.976128  350.7007       7.387577  362.9387       10.83728  340.0772       10.09716  6.074463       3.952256  
1 1 1 2   9  34 o 43.47226 0.6616858 18.83134       0.5741657 17.68849       0.7831174 20.15980       0.8443180 -2.841431      1.323372  
1 1 1 2   9  35 o 130.3250 1.405749  170.0557       3.663006  167.5619       5.105923  172.7003       5.257967  -1.965179      2.811498  
1 1 1 2   9  36 o 135.6053 1.458985  184.0471       3.953327  179.5970       5.452667  188.9786       5.740099  -3.445145      2.917969  
1 1 1 2   9  37 o 59.26709 0.7568582 35.12569       0.8968424 34.27716       1.249127  36.02847       1.288440  -1.476349      1.513716  
1 1 1 2   9  38 o 20.73569 0.7315218 4.157599       0.2935416 5.990168       0.4594321 2.893451       0.3815842 7.464622       1.463044  
1 1 1 2   9  39 o 41.45014 0.6564165 17.18543       0.5438902 17.36229       0.7835316 17.02096       0.7555833 0.4108505      1.312833  
1 1 1 2   9  40 f 84.47673 1.057442  70.14664       1.733490  76.87321       2.871765  66.29067       2.174301  6.224442       2.114884  
1 1 1 2   9  41 o 53.13701 0.9246351 28.08695       0.9035545 28.75020       1.649345  27.80255       1.080042  0.8622856      1.849270  
1 1 1 2   9  42 o 40.37878 0.9969317 15.79724       0.7900116 19.27413       1.276723  13.63999       1.005662  6.958321       1.993863  
1 1 1 2   9  43 o 53.77536 0.7992919 28.73006       0.8468451 27.71512       1.097779  30.22167       1.330826  -2.317459      1.598584  
1 1 1 2   9  44 o 43.62730 0.6973998 19.05483       0.6083878 19.05406       0.8692502 19.05556       0.8517959 -0.2723694E-02 1.394800  
1 1 1 2   9  45 f 59.28116 1.145264  35.25758       1.357456  34.10236       1.909300  36.43842       1.930338  -1.968140      2.290529  
1 1 1 2   9  46 o 31.57245 0.6974053 9.987803       0.4399054 9.854833       0.6345760 10.11082       0.6103701 -0.4071522     1.394811  
1 1 1 2   9  47 o 66.68212 0.8452414 44.56286       1.127209  44.02941       1.589974  45.10189       1.598286  -0.8034058     1.690483  
1 1 1 2   9  48 o 36.05032 0.7054489 12.99061       0.5075266 13.42158       0.7473065 12.62165       0.6914459 1.104660       1.410898  
1 1 1 2   9  49 o 45.77180 0.7340443 20.98490       0.6713452 21.17940       0.9725856 20.80790       0.9278450 0.4014320      1.468089  
1 1 1 2   9  50 o 26.89424 0.7611232 7.194617       0.4076519 8.168440       0.6051171 6.385415       0.5516054 3.309204       1.522246  
1 1 1 2   9  51 o 41.01808 0.7287036 16.67376       0.5942618 18.70737       0.9017373 15.11248       0.7901087 4.370117       1.457407  
1 1 1 2   9  52 o 42.54242 0.7370111 17.94970       0.6232443 19.95616       0.9476267 16.42019       0.8273642 4.140995       1.474022  
1 1 1 2   9  53 o 52.41671 0.7878910 27.56697       0.8256699 27.26907       1.179936  27.85279       1.155786  -0.5601654     1.575782  
1 1 1 2   9  54 o 56.76794 0.8705918 32.46124       0.9850672 30.46413       1.422710  34.30030       1.365256  -3.388065      1.741184  
1 1 1 2   9  55 o 30.71634 1.030866  9.458411       0.6321209 10.06841       0.9286913 8.931847       0.8628439 1.836533       2.061731  
1 1 1 2   9  56 o 53.76057 1.096839  29.02041       1.176955  27.55621       1.603372  30.73118       1.733121  -2.921043      2.193678  
1 1 1 2   9  57 o 24.99265 1.138794  6.299191       0.5691370 6.251975       0.8103420 6.345157       0.7995296 -0.1892223     2.277588  
1 1 1 2   9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   9  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   10 0  o 456.5087 5.073468  2088.717       45.95617  2072.560       69.35189  2101.366       61.36265  -3.233337      10.14694  
1 1 1 2   10 1  o 403.4611 4.865828  1567.828       38.00506  1401.714       47.16448  1875.391       64.17710  -58.54044      9.731656  
1 1 1 2   10 2  o 504.1287 7.405450  2548.737       74.65650  2573.321       106.6091  2525.080       104.5806  4.755219       14.81090  
1 1 1 2   10 3  o 667.6526 11.36906  4485.038       131.2084  4498.375       263.0499  4480.621       151.3852  -1.070618      22.73812  
1 1 1 2   10 4  f 331.8297 4.238435  1096.003       26.30142  1119.670       46.53631  1084.895       31.88177  5.119324       8.476870  
1 1 1 2   10 5  o 568.4899 8.362092  3126.480       92.02392  2810.725       114.2530  3709.629       155.2681  -78.38000      16.72418  
1 1 1 2   10 6  o 423.8019 6.231988  1777.424       52.25712  1655.973       68.20073  1950.115       81.32494  -34.53915      12.46398  
1 1 1 2   10 7  o 145.6604 2.010818  208.8389       5.615320  200.8660       6.945578  223.8846       9.541233  -7.890915      4.021636  
1 1 1 2   10 8  o 411.5884 5.228847  1698.620       40.67036  1702.347       49.95404  1691.293       70.04320  1.561432       10.45769  
1 1 1 2   10 9  o 428.3725 4.452376  1837.011       38.14138  1816.673       53.46154  1858.094       54.43167  -4.825043      8.904752  
1 1 1 2   10 10 o 315.3452 3.278970  993.0049       20.64187  1028.758       30.31496  962.0988       28.18526  10.55255       6.557939  
1 1 1 2   10 11 o 678.5587 8.936287  4413.747       107.0977  5099.011       214.7394  4186.865       123.5616  65.14520       17.87257  
1 1 1 2   10 12 o 335.5426 3.485851  1126.841       23.39086  1118.659       32.81371  1135.293       33.35221  -2.473450      6.971703  
1 1 1 2   10 13 o 436.0451 4.523948  1904.556       39.45097  1915.146       56.12662  1894.214       55.46348  2.391174       9.047896  
1 1 1 2   10 14 o 269.4201 2.807101  725.9995       15.11817  738.6640       21.79635  714.2576       20.98725  4.521881       5.614202  
1 1 1 2   10 15 f 366.5604 4.399583  1346.157       32.24876  1359.114       46.11485  1333.755       45.11485  3.442535       8.799167  
1 1 1 2   10 16 o 98.14006 1.085028  96.04879       2.124894  92.41681       2.890336  100.3207       3.134614  -4.025703      2.170056  
1 1 1 2   10 17 o 258.6951 2.698023  669.0300       13.94392  652.8276       19.18884  687.1583       20.29716  -6.621216      5.396046  
1 1 1 2   10 18 o 335.4750 3.488430  1126.464       23.38748  1151.606       33.88048  1103.579       32.32417  7.129700       6.976859  
1 1 1 2   10 19 o 142.2174 1.514646  201.7601       4.297863  210.2680       6.346632  194.5539       5.840996  5.520218       3.029292  
1 1 1 2   10 20 o 73.11903 0.8479986 53.45284       1.239819  52.63859       1.731135  54.31032       1.776482  -1.142899      1.695997  
1 1 1 2   10 21 o 283.0767 2.951171  802.1468       16.69589  785.9592       23.08857  819.8888       24.17177  -5.968567      5.902341  
1 1 1 2   10 22 o 209.9618 2.705708  438.7227       10.60686  433.7106       12.83533  449.5169       18.83613  -3.634979      5.411415  
1 1 1 2   10 23 o 151.2932 2.270780  229.1466       6.870744  228.2427       9.662019  230.0713       9.772319  -0.6023865     4.541559  
1 1 1 2   10 24 o 260.2045 3.845565  679.1391       20.00580  688.9548       28.74515  669.9182       27.86052  3.629913       7.691130  
1 1 1 2   10 25 o 75.69806 1.226423  56.68415       1.841869  52.58232       2.425613  62.27015       2.830630  -6.394531      2.452845  
1 1 1 2   10 26 o 303.9065 3.877004  929.8961       22.32357  919.2615       38.16444  935.4270       27.52316  -3.047058      7.754007  
1 1 1 2   10 27 o 132.8508 1.429288  175.7567       3.783550  167.4147       5.092943  186.0312       5.652137  -6.998184      2.858577  
1 1 1 2   10 28 f 76.41220 0.8905114 58.39622       1.360742  58.79949       1.942701  58.00781       1.906568  0.5176697      1.781023  
1 1 1 2   10 29 f 78.16937 0.9055450 61.04473       1.414233  62.73290       2.057338  59.53239       1.947256  2.045921       1.811090  
1 1 1 2   10 30 o 59.13342 0.7573348 34.71349       0.8908454 37.43737       1.347461  32.59842       1.187363  4.089745       1.514670  
1 1 1 2   10 31 o 166.4026 1.764226  277.0431       5.866796  283.4048       8.501451  271.2587       8.106440  3.638199       3.528452  
1 1 1 2   10 32 o 29.43845 0.6451414 8.659961       0.3793820 8.828681       0.5523532 8.509280       0.5219879 0.5421028      1.290283  
1 1 1 2   10 33 o 44.33382 0.6627620 19.21063       0.5800409 22.58276       0.9144796 16.94075       0.7502803 6.360569       1.325524  
1 1 1 2   10 34 f 71.18207 0.8510954 50.29214       1.205324  46.93188       1.607406  54.60870       1.821830  -5.387337      1.702191  
1 1 1 2   10 35 o 137.5953 1.480922  187.9301       4.043782  176.3577       5.335424  203.5505       6.198725  -9.839539      2.961844  
1 1 1 2   10 36 o 87.40465 0.9961761 76.47256       1.741402  76.36211       2.464955  76.58261       2.460479  -0.1263046     1.992352  
1 1 1 2   10 37 o 68.11026 0.8331409 45.50639       1.120565  40.92318       1.450769  52.28439       1.764268  -8.328880      1.666282  
1 1 1 2   10 38 o 49.31640 0.6969085 24.29828       0.6865934 25.10749       1.000462  23.57787       0.9439771 1.548992       1.393817  
1 1 1 2   10 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   10 40 o 61.43652 1.141225  37.03650       1.381356  42.33064       2.195295  33.56643       1.777314  7.106365       2.282451  
1 1 1 2   10 41 o 66.55591 0.8260245 44.31398       1.098764  45.28690       1.589979  43.42465       1.520147  1.395370       1.652049  
1 1 1 2   10 42 o 27.51474 0.6854244 7.561020       0.3739716 6.283840       0.5144390 8.992353       0.5446005 -4.920494      1.370849  
1 1 1 2   10 43 o 19.02407 0.8035797 3.637197       0.3045810 3.322076       0.4352513 3.939591       0.4263712 -1.623531      1.607159  
1 1 1 2   10 44 o 40.43877 0.6868640 16.35776       0.5549407 16.66348       0.8063342 16.08265       0.7649123 0.7156982      1.373728  
1 1 1 2   10 45 o 17.67024 1.553994  3.250782       0.5291395 2.627433       0.8151540 3.704713       0.6956149 -3.066263      3.107989  
1 1 1 2   10 46 o 52.39367 0.7489023 27.32445       0.7822481 25.20103       1.057210  29.89344       1.162852  -4.469635      1.497805  
1 1 1 2   10 47 o 28.91268 0.7144551 8.371577       0.4126077 8.411376       0.5995222 8.335764       0.5687258 0.1281929      1.428910  
1 1 1 2   10 48 o 48.70992 0.7360591 23.75734       0.7164899 24.15273       1.037653  23.39705       0.9905281 0.7712326      1.472118  
1 1 1 2   10 49 o 24.45637 0.7867862 6.001438       0.3831637 5.928444       0.5671623 6.062723       0.5196946 -0.2796078     1.573572  
1 1 1 2   10 50 o 20.35289 0.8613870 4.126997       0.3494464 4.568580       0.5191404 3.761156       0.4725258 1.977713       1.722774  
1 1 1 2   10 51 o 46.20462 0.7497610 21.40578       0.6926981 21.10089       0.9851538 21.70392       0.9741843 -0.6538315     1.499522  
1 1 1 2   10 52 o 18.09347 0.9924974 3.304206       0.3574431 2.984793       0.5114029 3.609287       0.4997986 -1.727753      1.984995  
1 1 1 2   10 53 o 31.78919 0.8045544 10.18078       0.5088813 9.629002       0.7460266 10.66093       0.6959172 -1.630238      1.609109  
1 1 1 2   10 54 o 36.94347 0.9272951 13.64333       0.6773131 14.16356       1.048083  13.27028       0.8875412 1.179893       1.854590  
1 1 1 2   10 55 f 22.96354 1.147994  5.330934       0.5190144 4.175053       0.7188572 6.589590       0.7501357 -5.249880      2.295987  
1 1 1 2   10 56 o 27.52367 1.556451  0.000000       0.000000  ?              ?         7.632722       0.8567848 ?              ?         
1 1 1 2   10 57 o 27.37576 2.190279  7.615087       1.199211  7.615087       1.199211  ?              ?         ?              ?         
1 1 1 2   10 58 o 44.83500 1.051071  20.18487       0.9407933 18.99962       1.285151  21.55346       1.380976  -2.823246      2.102142  
1 1 1 2   11 0  o 494.8128 6.264897  2464.701       58.94212  2418.892       99.85596  2489.197       73.02003  -7.441803      12.52979  
1 1 1 2   11 1  o 569.7333 8.393723  3129.968       92.23389  2808.227       113.8595  3744.091       157.3055  -81.38379      16.78745  
1 1 1 2   11 2  o 580.9470 8.591922  2867.054       85.62638  2451.731       96.01543  4480.710       189.2575  -172.9554      17.18384  
1 1 1 2   11 3  o 205.9461 3.053310  424.3562       12.57595  426.3270       17.87066  422.4227       17.70072  0.9468079      6.106620  
1 1 1 2   11 4  o 640.3507 8.415441  3875.528       93.10855  3657.563       106.0791  4606.909       194.3160  -72.55743      16.83088  
1 1 1 2   11 5  o 130.7768 1.396828  171.0224       3.653016  169.5666       5.118928  172.5331       5.214692  -1.133881      2.793655  
1 1 1 2   11 6  o 480.6058 4.990438  2309.171       47.89274  2240.063       65.55583  2388.276       70.13715  -15.36658      9.980876  
1 1 1 2   11 7  o 445.1265 4.619836  1982.596       41.09751  2025.580       59.50828  1943.400       56.82579  9.201080       9.239673  
1 1 1 2   11 8  f 512.8922 5.337051  2601.288       54.13112  2420.129       70.51860  2861.155       84.45959  -42.80334      10.67410  
1 1 1 2   11 9  o 239.8486 2.503978  575.5439       12.01137  574.4089       16.93910  576.6917       17.03458  -0.4752045     5.007956  
1 1 1 2   11 10 o 141.0799 1.502962  198.9068       4.237592  203.1342       6.135606  195.0512       5.859636  2.863480       3.005924  
1 1 1 2   11 11 o 185.9094 1.955151  345.3842       7.263447  337.6418       10.02720  353.9319       10.53579  -4.378098      3.910302  
1 1 1 2   11 12 o 141.7215 1.514119  200.8535       4.290880  198.9060       6.000419  202.8916       6.138374  -1.405426      3.028238  
1 1 1 2   11 13 o 294.8145 4.345859  868.0050       25.55074  907.3029       37.88939  835.2298       34.60231  12.17001       8.691718  
1 1 1 2   11 14 o 219.4064 2.295312  481.4083       10.06699  490.0616       14.51637  473.3909       13.97292  3.793854       4.590625  
1 1 1 2   11 15 o 407.1991 4.229862  1658.593       34.38670  1716.359       50.45863  1608.502       46.98703  13.17590       8.459724  
1 1 1 2   11 16 o 43.01904 0.6171673 18.50651       0.5309836 18.62101       0.7544302 18.39412       0.7474666 0.2636909      1.234335  
1 1 1 2   11 17 o 284.6431 2.966160  811.3256       16.88558  813.9540       23.97290  808.7376       23.78780  0.9132080      5.932320  
1 1 1 2   11 18 o 186.0375 1.956820  343.8810       7.236877  367.8394       10.97981  325.4785       9.622887  11.36839       3.913640  
1 1 1 2   11 19 o 66.66421 0.7957637 44.44514       1.060954  44.20561       1.494139  44.68876       1.506773  -0.3623047     1.591527  
1 1 1 2   11 20 o 250.7637 2.618911  629.4677       13.12881  619.4235       18.24679  640.2493       18.90457  -4.138794      5.237821  
1 1 1 2   11 21 o 224.6465 2.353554  504.9998       10.56923  496.4778       14.67594  514.1823       15.23399  -3.930023      4.707109  
1 1 1 2   11 22 o 161.9808 1.714446  262.5354       5.553939  261.1546       7.813714  263.9454       7.895844  -0.8603668     3.428892  
1 1 1 2   11 23 o 192.3805 2.023117  370.1605       7.778699  378.1989       11.25599  362.8119       10.76211  3.990646       4.046234  
1 1 1 2   11 24 o 185.0264 1.948688  342.5166       7.208279  337.2173       10.02513  348.1887       10.37180  -2.958710      3.897377  
1 1 1 2   11 25 o 253.7175 2.651907  644.2961       13.44460  630.2220       18.54963  659.8715       19.51406  -5.818329      5.303814  
1 1 1 2   11 26 o 135.1410 1.793286  178.8488       4.434850  173.2955       5.255977  192.5744       8.263171  -7.076782      3.586573  
1 1 1 2   11 27 o 208.6281 3.097978  436.4140       12.92201  430.2250       17.99276  443.0064       18.56985  -3.043015      6.195955  
1 1 1 2   11 28 o 46.30035 0.9083609 21.42277       0.8406780 20.83469       1.165291  22.06105       1.214001  -1.323788      1.816722  
1 1 1 2   11 29 o 95.15208 1.494553  90.40479       2.839203  94.18851       4.167785  87.12843       3.878305  3.703461       2.989106  
1 1 1 2   11 30 o 132.5728 1.734299  177.2872       4.398014  171.5236       7.327699  180.5324       5.498498  -3.448853      3.468598  
1 1 1 2   11 31 f 48.14533 0.6819685 23.17063       0.6564389 22.37983       0.9159377 24.00578       0.9412701 -1.688255      1.363937  
1 1 1 2   11 32 o 82.38954 0.9506645 67.87415       1.565529  69.16196       2.261743  66.68962       2.169144  1.498375       1.901329  
1 1 1 2   11 33 o 123.2036 1.336264  151.6335       3.286141  157.5429       4.833169  146.5530       4.481356  4.447372       2.672529  
1 1 1 2   11 34 o 33.51941 0.6476844 10.99029       0.4284760 8.900952       0.5636255 13.85112       0.6595261 -7.382029      1.295369  
1 1 1 2   11 35 o 50.29758 0.6957774 25.31128       0.6997853 25.27179       0.9990308 25.34934       0.9805207 -0.7753754E-01 1.391555  
1 1 1 2   11 36 o 35.76807 0.7035550 12.12960       0.4807895 15.07927       0.8434317 10.70974       0.5851747 6.100384       1.407110  
1 1 1 2   11 37 o 91.47748 1.489609  83.65433       2.719713  79.92071       3.703955  88.02242       4.006324  -4.407570      2.979218  
1 1 1 2   11 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   11 39 o 92.24214 1.048958  85.18136       1.934183  86.68577       2.788767  83.78692       2.684886  1.565392       2.097916  
1 1 1 2   11 40 o 8.325632 1.418788  0.7069034      0.2372654 0.9726050      0.3538611 0.4898835      0.3198053 2.714120       2.837576  
1 1 1 2   11 41 o 49.56704 0.7152007 24.56239       0.7085358 23.46663       0.9829537 25.74750       1.022243  -2.298820      1.430401  
1 1 1 2   11 42 o 7.981788 1.387155  0.6560968      0.2466842 0.2281396      0.3596041 1.036491       0.3390325 -4.368717      2.774310  
1 1 1 2   11 43 o 39.77384 0.6777506 15.69935       0.5360271 17.09779       0.8130490 14.62420       0.7128993 3.103870       1.355501  
1 1 1 2   11 44 o 6.398331 1.539420  0.2815604      0.2563236 0.6641094      0.3932668 -0.9825090E-03 0.3379760 3.272164       3.078841  
1 1 1 2   11 45 o 48.39389 0.7281052 23.38444       0.7035810 21.78130       0.9662706 25.19361       1.026485  -3.520973      1.456210  
1 1 1 2   11 46 o 48.22717 0.7336288 23.29735       0.7074520 22.61852       0.9960074 23.98854       1.005030  -1.419636      1.467258  
1 1 1 2   11 47 o 31.37270 0.7112625 9.850182       0.4440012 8.550056       0.6152743 11.26290       0.6413630 -4.321281      1.422525  
1 1 1 2   11 48 o 10.90065 1.379230  1.199127       0.2908280 1.544286       0.4387304 0.9285712      0.3884331 2.978642       2.758461  
1 1 1 2   11 49 o 63.26329 0.8309603 40.06036       1.049635  41.33322       1.538027  38.95073       1.436032  1.871002       1.661921  
1 1 1 2   11 50 o 79.62984 0.9657596 63.64613       1.537620  64.07449       2.204331  63.24017       2.145892  0.5155258      1.931519  
1 1 1 2   11 51 o 53.33877 0.7865483 28.24306       0.8333686 31.00399       1.272214  26.16792       1.102949  4.510803       1.573097  
1 1 1 2   11 52 o 36.07392 0.7556213 12.86647       0.5410672 14.65147       0.8290309 11.54196       0.7141299 4.294590       1.511243  
1 1 1 2   11 53 o 13.22809 1.504269  1.903108       0.3573958 1.505868       0.6010399 2.120395       0.4445220 -2.577258      3.008538  
1 1 1 2   11 54 o 44.90923 1.020158  20.16087       0.9134257 18.53131       1.235895  22.12253       1.356001  -3.973797      2.040316  
1 1 1 2   11 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   11 56 f 39.49380 1.014498  15.60318       0.7988209 17.21128       1.184102  14.26002       1.082173  3.712814       2.028996  
1 1 1 2   11 57 o 32.88928 1.045962  10.89836       0.6877408 11.33906       0.9809074 10.47226       0.9645244 1.313442       2.091923  
1 1 1 2   11 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   12 0  o 427.1385 5.469034  1809.333       43.33421  1778.458       52.07716  1878.837       78.13560  -11.40347      10.93807  
1 1 1 2   12 1  o 411.0007 4.265036  1691.089       35.05358  1707.589       50.08663  1675.249       49.07533  3.923553       8.530072  
1 1 1 2   12 2  o 383.3693 3.980769  1468.453       30.47021  1424.187       41.66322  1519.356       44.67725  -12.38174      7.961537  
1 1 1 2   12 3  f 469.1463 4.870692  2204.797       45.70132  2202.871       64.64638  2206.721       64.61648  -0.4107666     9.741385  
1 1 1 2   12 4  o 253.6519 2.648453  643.4943       13.43192  653.2542       19.27429  634.2789       18.72866  3.736603       5.296907  
1 1 1 2   12 5  o 286.3197 2.980757  817.7069       17.02140  854.2399       25.22237  787.1543       23.06574  11.69754       5.961514  
1 1 1 2   12 6  o 177.7350 1.870236  315.8935       6.646464  319.9102       9.528020  312.0865       9.276082  2.199600       3.740473  
1 1 1 2   12 7  o 380.7786 3.953662  1451.830       30.10937  1452.966       42.61917  1450.697       42.54308  0.2969971      7.907325  
1 1 1 2   12 8  o 222.8129 2.332303  496.5978       10.39172  501.9820       14.85527  491.4384       14.54196  2.363708       4.664606  
1 1 1 2   12 9  o 139.8308 1.492156  195.1488       4.165795  202.3921       6.111013  188.8610       5.693745  4.836319       2.984313  
1 1 1 2   12 10 o 82.09372 0.9312001 66.71296       1.517408  72.85993       2.325066  62.15231       2.002713  6.520493       1.862400  
1 1 1 2   12 11 o 489.6369 7.212889  2411.145       70.62839  2392.941       99.13616  2429.908       100.6482  -3.731781      14.42578  
1 1 1 2   12 12 o 141.1066 1.504234  197.7858       4.220409  211.4792       6.395374  187.2221       5.617179  8.590240       3.008467  
1 1 1 2   12 13 o 213.4244 2.233855  455.7849       9.534845  457.9027       13.55267  453.7092       13.41697  0.9810181      4.467710  
1 1 1 2   12 14 o 119.1290 1.284625  141.2488       3.048478  134.5968       4.096839  149.5014       4.563160  -6.252571      2.569249  
1 1 1 2   12 15 o 283.2879 2.951180  803.4188       16.71705  812.8397       23.94139  794.4559       23.35255  3.235046       5.902360  
1 1 1 2   12 16 o 226.3090 2.370274  511.7366       10.71181  497.0329       14.67042  528.5276       15.67723  -6.943649      4.740548  
1 1 1 2   12 17 o 114.9328 1.244882  131.0806       2.843146  141.1261       4.325840  123.4412       3.772377  7.688782       2.489763  
1 1 1 2   12 18 o 184.7859 1.944879  341.5588       7.184526  335.9939       9.983488  347.5365       10.34718  -3.117752      3.889758  
1 1 1 2   12 19 o 303.5045 3.162811  922.5310       19.18576  904.6136       26.55886  942.0856       27.74554  -6.142914      6.325622  
1 1 1 2   12 20 o 21.75305 0.6219785 4.736241       0.2703368 4.621458       0.3879662 4.844572       0.3769019 -0.5128860     1.243957  
1 1 1 2   12 21 o 259.1718 2.708672  672.8181       14.04015  672.1307       19.81841  673.5107       19.89333  -0.2645874     5.417344  
1 1 1 2   12 22 o 159.5092 1.695044  254.5941       5.407110  253.1126       7.592728  256.1186       7.702061  -0.9406433     3.390089  
1 1 1 2   12 23 o 96.69919 1.075781  93.00078       2.071334  99.02065       3.110941  88.20679       2.776177  5.588173       2.151562  
1 1 1 2   12 24 o 204.4306 2.147725  418.0883       8.774637  409.4350       12.13126  427.5827       12.70719  -4.426346      4.295449  
1 1 1 2   12 25 o 285.1989 2.976465  814.6774       16.96154  835.1406       24.63770  796.2410       23.38573  6.779663       5.952930  
1 1 1 2   12 26 o 88.37279 0.9994043 78.11687       1.766332  77.43542       2.484509  78.81329       2.511653  -0.7792664     1.998809  
1 1 1 2   12 27 o 124.0694 1.341371  153.9116       3.326466  150.7316       4.608872  157.3693       4.805984  -2.671585      2.682743  
1 1 1 2   12 28 o 57.69736 0.7450089 33.29648       0.8596329 33.39516       1.224233  33.20051       1.207352  0.1684914      1.490018  
1 1 1 2   12 29 o 81.34000 1.140644  66.58806       1.773344  67.54060       2.212511  64.87680       2.965533  1.651421       2.281289  
1 1 1 2   12 30 o 101.3536 1.577655  102.8048       3.196471  104.8125       4.607822  100.9425       4.437947  1.903877       3.155311  
1 1 1 2   12 31 o 57.65531 1.023563  33.14628       1.177780  31.50930       1.603079  35.06626       1.736130  -3.081539      2.047125  
1 1 1 2   12 32 o 39.84068 0.8635134 15.88331       0.6879934 15.72583       0.9764040 16.03858       0.9695712 -0.3926620     1.727027  
1 1 1 2   12 33 o 60.09646 0.9292886 35.11721       1.030640  38.79225       1.902347  33.59036       1.226186  4.307983       1.858577  
1 1 1 2   12 34 o 63.76265 1.002681  39.91014       1.162938  42.58361       2.184954  38.85343       1.373677  2.897331       2.005363  
1 1 1 2   12 35 o 18.15008 1.321410  3.440908       0.4593793 2.477951       0.6818483 4.241308       0.6216388 -4.860914      2.642819  
1 1 1 2   12 36 o 15.55991 1.143647  2.556979       0.3247898 2.793358       0.3975823 2.082775       0.5631258 2.291616       2.287295  
1 1 1 2   12 37 o 43.40545 0.8547575 18.22019       0.7203486 16.39839       0.8987248 21.49348       1.204669  -5.856148      1.709515  
1 1 1 2   12 38 o 47.75537 0.6997333 22.82446       0.6682570 22.67768       0.9497401 22.96838       0.9404446 -0.3047066     1.399467  
1 1 1 2   12 39 o 36.55706 0.6616013 13.34133       0.4829017 13.91341       0.7085097 12.84501       0.6599278 1.459389       1.323203  
1 1 1 2   12 40 o 96.35481 1.091651  93.05942       2.103703  92.91420       2.979229  93.20381       2.970957  -0.1509018     2.183303  
1 1 1 2   12 41 o 17.69085 0.8322946 3.160283       0.2914560 2.668340       0.4154534 3.637027       0.4089848 -2.738199      1.664589  
1 1 1 2   12 42 o 53.03477 0.7406263 27.89893       0.7818242 25.31816       1.046499  31.15882       1.176157  -5.498535      1.481253  
1 1 1 2   12 43 o 82.60550 0.9724766 68.26143       1.603840  70.68806       2.352804  66.15505       2.192063  2.729553       1.944953  
1 1 1 2   12 44 f 112.3158 1.250042  126.6260       2.806002  129.2533       4.060214  124.2238       3.882334  2.215973       2.500083  
1 1 1 2   12 45 o 39.75356 0.7027038 15.72360       0.5563605 16.95083       0.8348105 14.74296       0.7462431 2.770119       1.405408  
1 1 1 2   12 46 o 50.74026 0.7450333 25.60696       0.7521256 27.58389       1.136246  24.06520       1.003426  3.455429       1.490067  
1 1 1 2   12 47 o 49.31414 0.7441781 24.32394       0.7325954 25.07328       1.075481  23.67524       1.000653  1.410110       1.488356  
1 1 1 2   12 48 o 111.6147 1.251121  125.2543       2.791098  127.5688       4.033121  123.1270       3.866563  1.961067       2.502243  
1 1 1 2   12 49 o 41.85809 0.7290503 17.57189       0.6098979 17.06040       0.8701628 18.06581       0.8550865 -1.202579      1.458101  
1 1 1 2   12 50 f 53.23002 0.7795426 28.34807       0.8280757 29.34144       1.219824  27.49902       1.127741  1.719070       1.559085  
1 1 1 2   12 51 o 76.59793 0.9523969 58.35943       1.448359  63.60055       2.216401  54.45330       1.913416  5.920105       1.904794  
1 1 1 2   12 52 o 38.23135 0.8596862 14.77114       0.6369665 14.25701       1.028147  15.09138       0.8114488 -1.124447      1.719372  
1 1 1 2   12 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   12 54 o 34.74870 1.442158  12.15149       1.002262  12.15149       1.002262  ?              ?         ?              ?         
1 1 1 2   12 55 o 36.16216 1.004558  13.15951       0.7264063 13.16279       1.037310  13.15636       1.017562  0.4493713E-02  2.009116  
1 1 1 2   12 56 o 43.20324 1.020264  18.74795       0.8803758 19.81468       1.285956  17.80695       1.207795  2.304413       2.040528  
1 1 1 2   12 57 o 33.10743 1.042085  10.99903       0.6884193 12.07429       1.007790  10.05834       0.9426184 3.027939       2.084170  
1 1 1 2   13 0  o 261.1323 3.853604  682.5231       20.11960  692.6433       28.89410  672.9977       28.03230  3.751373       7.707208  
1 1 1 2   13 1  o 467.1937 5.617817  2188.575       52.48296  2198.821       75.00388  2178.745       73.46429  2.121552       11.23563  
1 1 1 2   13 2  o 128.5853 1.379162  164.9694       3.539555  159.4933       4.824532  171.3528       5.208910  -4.609825      2.758324  
1 1 1 2   13 3  o 199.2614 2.092092  397.1739       8.336860  394.3474       11.70545  400.0836       11.87661  -1.438217      4.184185  
1 1 1 2   13 4  o 203.0861 2.134176  410.7791       8.636127  392.6833       11.62733  433.0456       12.89790  -9.928177      4.268351  
1 1 1 2   13 5  o 203.6734 2.137090  414.9839       8.704733  417.4518       12.39903  412.5852       12.22355  1.193390       4.274179  
1 1 1 2   13 6  o 184.3109 2.104831  340.4883       7.709850  334.0320       11.51257  345.7384       10.38166  -3.184372      4.209662  
1 1 1 2   13 7  o 182.1170 2.714827  331.8498       9.886424  327.9342       13.81877  335.9554       14.15014  -2.198746      5.429655  
1 1 1 2   13 8  o 430.7425 6.340755  1863.078       54.59978  1894.397       78.64410  1833.934       75.86250  6.946106       12.68151  
1 1 1 2   13 9  o 179.9805 1.897813  324.0439       6.830838  326.3568       9.734473  321.8002       9.587728  1.264648       3.795627  
1 1 1 2   13 10 o 139.0675 1.486209  193.1363       4.128050  187.7214       5.663504  199.2738       6.029565  -4.150986      2.972418  
1 1 1 2   13 11 o 336.4740 3.499460  1133.959       23.54682  1124.496       33.00075  1143.774       33.60801  -2.853943      6.998919  
1 1 1 2   13 12 o 432.9698 4.500057  1878.767       38.93857  1920.105       56.38612  1841.081       53.83717  9.064240       9.000113  
1 1 1 2   13 13 o 254.3650 2.657222  647.7479       13.51785  645.4325       19.05057  650.0959       19.18440  -0.9146271     5.314443  
1 1 1 2   13 14 o 337.9928 3.517143  1144.576       23.76908  1159.363       34.08644  1130.580       33.16175  4.237366       7.034286  
1 1 1 2   13 15 o 38.47121 0.6022927 14.80100       0.4634120 14.88637       0.6574259 14.71668       0.6533204 0.2205238      1.204585  
1 1 1 2   13 16 o 206.3351 2.163608  426.1490       8.928034  423.6339       12.54451  428.7307       12.70940  -1.232315      4.327217  
1 1 1 2   13 17 f 126.0137 1.354351  158.5443       3.407759  164.1524       4.993688  153.6565       4.661991  4.160942       2.708702  
1 1 1 2   13 18 o 166.8003 1.763182  276.8648       5.854313  293.7785       8.805446  263.4657       7.837355  9.073120       3.526364  
1 1 1 2   13 19 o 144.8321 1.543429  209.8488       4.470284  211.5650       6.377904  208.1915       6.267417  1.163239       3.086858  
1 1 1 2   13 20 o 318.7397 3.321147  1017.677       21.15384  1041.367       30.67591  996.1975       29.20999  7.044098       6.642295  
1 1 1 2   13 21 o 109.4150 1.196118  119.7589       2.617444  119.4363       3.692539  120.0847       3.710779  -0.2961273     2.392236  
1 1 1 2   13 22 o 315.1681 3.285115  995.1458       20.68833  1019.605       30.03501  973.0643       28.53781  7.336548       6.570230  
1 1 1 2   13 23 o 243.0934 2.543656  591.1003       12.34974  574.9291       16.93952  609.4468       18.04301  -7.070679      5.087311  
1 1 1 2   13 24 o 244.9763 2.564490  600.9799       12.55776  612.2943       18.12469  590.5338       17.41526  4.421265       5.128980  
1 1 1 2   13 25 o 205.5311 2.160870  422.2802       8.868076  436.6668       12.99249  409.7317       12.13417  6.530594       4.321740  
1 1 1 2   13 26 o 83.17111 0.9597061 69.13010       1.595258  67.47826       2.206024  70.94071       2.309610  -2.080177      1.919412  
1 1 1 2   13 27 o 41.75137 0.6578896 17.34107       0.5478048 15.80145       0.7454087 19.14908       0.8077694 -4.008366      1.315779  
1 1 1 2   13 28 o 111.1800 1.218602  123.6608       2.709111  121.9804       3.784264  125.4273       3.880056  -1.548164      2.437203  
1 1 1 2   13 29 o 160.0118 1.701986  255.8768       5.436048  265.4741       7.993278  247.6185       7.414744  5.559250       3.403972  
1 1 1 2   13 30 o 6.724629 1.537209  0.4388727      0.2360585 0.3999084      0.3457562 0.4728918      0.3230713 -0.3233666     3.074418  
1 1 1 2   13 31 o 91.18325 1.033850  82.58038       1.874015  88.78156       2.844628  77.82530       2.490962  5.997742       2.067701  
1 1 1 2   13 32 o 135.3418 2.075116  183.8384       5.615726  181.2878       7.841129  186.5243       8.046529  -1.920746      4.150231  
1 1 1 2   13 33 o 89.76890 2.081425  80.75636       3.736945  80.75636       3.736945  ?              ?         ?              ?         
1 1 1 2   13 34 o 45.38680 0.9242030 20.61410       0.8387630 21.19630       1.197122  20.05269       1.175552  1.259014       1.848406  
1 1 1 2   13 35 o 91.26955 1.450544  83.51443       2.647519  84.35451       3.778359  82.70411       3.710868  0.8996735      2.901089  
1 1 1 2   13 36 o 68.64356 1.163082  47.15136       1.595502  45.82326       2.203536  48.61494       2.313218  -2.027145      2.326164  
1 1 1 2   13 37 o 96.26358 1.090553  92.79762       2.099177  90.93507       2.933006  94.75363       3.005698  -1.979118      2.181106  
1 1 1 2   13 38 o 43.12658 0.6821461 18.54119       0.5871896 17.14549       0.8034726 20.14113       0.8602554 -3.470840      1.364292  
1 1 1 2   13 39 f 21.96183 0.7459616 4.833824       0.3269316 4.738878       0.4757935 4.918749       0.4499873 -0.4108181     1.491923  
1 1 1 2   13 40 f 82.94610 0.9702677 68.80535       1.607790  66.40320       2.210574  71.50321       2.342692  -3.065262      1.940535  
1 1 1 2   13 41 o 31.93579 0.6764213 9.990701       0.4273641 11.95028       0.6641529 8.605959       0.5583035 5.230211       1.352843  
1 1 1 2   13 42 o 62.02728 0.8055119 38.51221       0.9985198 39.13336       1.444990  37.94453       1.381396  0.9537544      1.611024  
1 1 1 2   13 43 o 126.9714 1.392820  162.0147       3.535281  158.8600       4.908557  165.4150       5.095993  -2.554611      2.785640  
1 1 1 2   13 44 o 59.99968 1.180617  36.12254       1.414201  36.62870       2.068871  35.67859       1.937546  0.7751198      2.361233  
1 1 1 2   13 45 o 72.53647 0.8955188 52.49505       1.293986  55.57587       1.936666  50.01053       1.739169  3.815346       1.791038  
1 1 1 2   13 46 o 17.08482 0.9363616 2.926511       0.3183770 2.946126       0.4750980 2.910523       0.4289381 0.9859657E-01  1.872723  
1 1 1 2   13 47 o 71.50735 0.8970699 51.27402       1.282712  50.06092       1.795905  52.53735       1.832712  -1.727089      1.794140  
1 1 1 2   13 48 f 53.67702 0.7838802 28.88702       0.8413664 28.18004       1.187832  29.59890       1.191922  -1.321198      1.567760  
1 1 1 2   13 49 o 79.39849 0.9675762 63.27489       1.536192  61.82349       2.149175  64.79105       2.196609  -1.861694      1.935152  
1 1 1 2   13 50 f 36.79213 0.7391244 13.53993       0.5425686 14.02907       0.8007678 13.12477       0.7377195 1.220787       1.478249  
1 1 1 2   13 51 o 49.79249 1.081804  0.000000       0.000000  ?              ?         24.86570       1.077314  ?              ?         
1 1 1 2   13 52 o 64.85152 1.788553  42.74331       2.303263  42.39599       3.074175  43.18777       3.477618  -0.4715652     3.577105  
1 1 1 2   13 53 o 35.04324 0.9830605 12.32643       0.6882744 12.84144       1.001739  11.86590       0.9472768 1.380985       1.966121  
1 1 1 2   13 54 o 46.76679 1.038347  21.97611       0.9699816 21.19920       1.331572  22.85444       1.415824  -1.750309      2.076694  
1 1 1 2   13 55 f 62.42821 1.163513  39.22404       1.450527  41.01635       2.123956  37.65743       1.985723  2.652920       2.327025  
1 1 1 2   13 56 o 37.70730 1.022230  14.32281       0.7708728 14.50434       1.096067  14.14514       1.084385  0.4732971      2.044460  
1 1 1 2   13 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   14 0  f 112.1888 1.217916  125.2217       2.721050  119.1697       3.650929  132.7844       4.081217  -6.065620      2.435833  
1 1 1 2   14 1  o 170.2620 1.798643  288.5370       6.098977  275.0851       8.187026  305.3115       9.142344  -8.869308      3.597286  
1 1 1 2   14 2  o 83.95152 0.9502493 70.43098       1.594496  69.01838       2.208374  71.96940       2.304621  -1.757187      1.900499  
1 1 1 2   14 3  o 97.00809 1.081389  92.08241       2.063038  105.1169       3.301113  83.72906       2.642674  11.02065       2.162779  
1 1 1 2   14 4  o 450.6199 4.681663  2035.864       42.18707  2018.250       59.07397  2054.196       60.26696  -3.963654      9.363326  
1 1 1 2   14 5  o 257.5152 2.687960  663.5518       13.83977  655.4443       19.29689  672.1393       19.86002  -3.234589      5.375919  
1 1 1 2   14 6  o 87.84668 0.9852955 77.12174       1.730089  75.55523       2.397732  78.82316       2.498828  -1.859535      1.970591  
1 1 1 2   14 7  o 288.5614 3.005524  832.9648       17.33161  852.1336       25.11992  815.5492       23.94358  6.321411       6.011048  
1 1 1 2   14 8  o 233.5533 2.441416  545.7813       11.40092  552.9236       16.35239  539.0255       15.90365  2.969604       4.882831  
1 1 1 2   14 9  o 207.1754 2.172127  428.5780       8.983198  414.9901       12.26115  444.3239       13.19895  -7.068268      4.344255  
1 1 1 2   14 10 f 101.8668 1.119343  102.7768       2.263172  111.7750       3.467763  96.10072       2.986994  7.690399       2.238687  
1 1 1 2   14 11 o 210.2018 2.206018  442.1489       9.272656  437.9868       12.97415  446.4948       13.25747  -2.019836      4.412036  
1 1 1 2   14 12 o 135.1533 1.444851  182.0630       3.893680  191.0427       5.783253  174.6177       5.266011  6.071335       2.889702  
1 1 1 2   14 13 o 189.6639 1.994083  359.9989       7.563620  362.2626       10.77033  357.7960       10.62432  1.175339       3.988167  
1 1 1 2   14 14 o 131.3483 1.410456  172.5639       3.704611  174.5495       5.297448  170.6633       5.182661  1.478058       2.820913  
1 1 1 2   14 15 f 96.43526 1.069893  92.93139       2.061879  90.88046       2.848687  95.18811       2.988186  -2.232239      2.139787  
1 1 1 2   14 16 o 265.8278 2.774424  707.7766       14.74906  703.0178       20.69506  712.6887       21.02553  -1.811859      5.548848  
1 1 1 2   14 17 o 38.68576 0.6254284 14.90958       0.4829683 13.94639       0.6594356 16.02405       0.7093314 -2.685062      1.250857  
1 1 1 2   14 18 o 117.9530 1.277831  139.1261       3.013439  141.2670       4.330461  137.1161       4.196011  1.758095       2.555662  
1 1 1 2   14 19 o 198.6500 2.087529  394.8008       8.289208  387.7971       11.49708  402.3827       11.96217  -3.662445      4.175058  
1 1 1 2   14 20 o 167.2019 1.769562  279.7769       5.917127  278.0501       8.313608  281.5497       8.423639  -1.044678      3.539125  
1 1 1 2   14 21 o 203.1591 2.135437  412.7090       8.666404  424.3155       12.62845  402.3770       11.91494  5.383957       4.270874  
1 1 1 2   14 22 f 79.22162 0.9204596 62.65337       1.456410  60.53723       1.997094  65.05723       2.128534  -2.851456      1.840919  
1 1 1 2   14 23 o 114.4690 1.247999  131.0919       2.857031  131.7034       4.062010  130.4931       4.019234  0.5280380      2.495998  
1 1 1 2   14 24 o 66.93652 0.8212988 44.81462       1.099477  44.98719       1.560643  44.64456       1.549212  0.2558136      1.642598  
1 1 1 2   14 25 o 28.90966 0.6693783 8.359376       0.3870223 8.412690       0.5470019 8.305931       0.5476629 0.1846485      1.338757  
1 1 1 2   14 26 f 95.70948 1.074062  91.02859       2.045207  97.53826       3.088933  85.94724       2.729095  6.049103       2.148125  
1 1 1 2   14 27 o 153.3819 1.635601  235.4563       5.015268  231.5968       6.970728  239.5981       7.221222  -2.600891      3.271203  
1 1 1 2   14 28 o 185.6354 1.961557  344.3272       7.263009  359.5771       10.75455  331.5396       9.848091  7.513321       3.923114  
1 1 1 2   14 29 o 135.1012 1.807073  179.4582       4.466734  191.5113       8.307425  174.5565       5.297680  6.144867       3.614146  
1 1 1 2   14 30 o 42.47351 1.002178  17.40937       0.8339974 21.44527       1.356374  14.95596       1.057532  7.630600       2.004357  
1 1 1 2   14 31 o 127.7947 1.700610  163.7641       4.095521  163.7812       5.013838  163.7298       7.099689  0.1354141      3.401221  
1 1 1 2   14 32 o 115.2741 1.262452  133.0049       2.909189  130.3372       4.039505  135.8795       4.193229  -2.397057      2.524905  
1 1 1 2   14 33 o 71.28096 0.8589722 50.77741       1.223480  49.04319       1.687312  52.70016       1.776668  -2.561897      1.717944  
1 1 1 2   14 34 f 29.87802 0.6497242 8.903837       0.3872877 9.313533       0.5725014 8.558152       0.5258790 1.262720       1.299448  
1 1 1 2   14 35 o 24.23475 0.8717897 5.839386       0.4209351 6.583807       0.6232637 5.215065       0.5707774 2.821642       1.743579  
1 1 1 2   14 36 o 60.65249 0.9378665 36.82174       1.086591  36.78650       1.349444  36.88673       1.832411  -0.5848694E-01 1.875733  
1 1 1 2   14 37 o 47.59949 0.9422374 22.21404       0.8864712 19.65030       1.151212  25.94864       1.389444  -6.602947      1.884475  
1 1 1 2   14 38 o 14.69076 1.128425  2.167757       0.3295529 2.122416       0.4910295 2.204919       0.4445463 -0.2843628     2.256849  
1 1 1 2   14 39 o 50.66520 0.9816506 25.26629       0.9847381 22.60885       1.286273  29.02941       1.530649  -6.319374      1.963301  
1 1 1 2   14 40 o 28.55831 0.7786948 7.839903       0.4238721 9.234979       0.7423341 7.165011       0.5163186 3.609922       1.557390  
1 1 1 2   14 41 o 76.52431 0.9195189 58.54105       1.404606  60.87720       2.064960  56.52937       1.916196  2.828766       1.839038  
1 1 1 2   14 42 o 84.01554 0.9884799 70.78249       1.660881  70.84995       2.360387  70.71633       2.337463  0.7722473E-01  1.976960  
1 1 1 2   14 43 o 32.85076 0.6999756 10.78239       0.4591798 11.24819       0.6726539 10.37590       0.6283630 1.324356       1.399951  
1 1 1 2   14 44 o 81.68489 0.9738892 66.93388       1.591015  66.67495       2.253411  67.19128       2.246675  -0.3168106     1.947778  
1 1 1 2   14 45 o 64.73630 0.8432826 42.01766       1.091745  41.46360       1.544310  42.57123       1.543611  -0.8555756     1.686565  
1 1 1 2   14 46 o 95.01949 1.096790  90.45634       2.080580  86.76012       2.840289  94.73628       3.056346  -4.164932      2.193580  
1 1 1 2   14 47 o 78.72556 0.9569322 62.14276       1.505851  60.21516       2.087471  64.23422       2.174375  -2.540596      1.913864  
1 1 1 2   14 48 o 56.64397 0.7980291 32.14397       0.9036482 30.91024       1.257960  33.45937       1.298927  -2.245228      1.596058  
1 1 1 2   14 49 f 62.11979 1.086112  38.13783       1.210750  40.33686       2.320507  37.31524       1.419250  2.267464       2.172223  
1 1 1 2   14 50 f 22.53340 2.419477  5.981344       0.8224138 4.208458       1.720729  6.506227       0.9362745 -5.732880      4.838954  
1 1 1 2   14 51 o 10.44826 1.768415  1.089657       0.3764262 1.736300       0.5818002 0.6240591      0.4936816 4.880625       3.536830  
1 1 1 2   14 52 o 22.94752 1.075353  5.300329       0.4935201 5.352861       0.6989255 5.248091       0.6969642 0.2278595      2.150705  
1 1 1 2   14 53 o 32.16454 0.9871744 10.35074       0.6330906 9.366348       0.8613698 11.50725       0.9336414 -3.312096      1.974349  
1 1 1 2   14 54 o 11.92580 1.773646  1.506864       0.4096726 1.398201       0.5882359 1.609210       0.5708827 -0.8956318     3.547292  
1 1 1 2   14 55 o 39.87448 1.003626  15.95532       0.7989359 17.16219       1.170837  14.90375       1.092915  2.812366       2.007252  
1 1 1 2   14 56 o 56.82660 1.594284  0.000000       0.000000  ?              ?         32.57746       1.811954  ?              ?         
1 1 1 2   15 0  o 150.8321 1.603393  227.5356       4.835893  224.9701       6.758238  230.2275       6.922700  -1.741425      3.206785  
1 1 1 2   15 1  o 150.5134 1.600404  225.7908       4.802551  216.6937       6.491472  236.7906       7.138158  -6.670563      3.200807  
1 1 1 2   15 2  o 313.5424 3.264676  983.1201       20.44391  1013.194       29.86623  956.6044       28.04386  8.991974       6.529352  
1 1 1 2   15 3  o 284.7058 2.968154  811.6157       16.89960  817.0855       24.08566  806.3118       23.71786  1.886047       5.936307  
1 1 1 2   15 4  o 521.3373 5.422610  2730.720       56.54015  2727.597       79.91322  2733.852       80.00655  -0.5969849     10.84522  
1 1 1 2   15 5  o 246.5503 2.575135  608.5135       12.69757  611.2339       18.04595  605.8461       17.86951  1.089966       5.150270  
1 1 1 2   15 6  o 172.2578 1.819885  295.6172       6.246766  282.9244       8.413971  311.2060       9.324560  -8.198975      3.639771  
1 1 1 2   15 7  o 267.7345 2.796296  717.7891       14.97255  721.8400       21.30197  713.8337       21.04907  1.490662       5.592592  
1 1 1 2   15 8  o 120.3401 1.299395  144.5767       3.122307  140.1261       4.271877  149.6811       4.574899  -3.967346      2.598790  
1 1 1 2   15 9  o 141.8282 1.512135  201.0570       4.285962  205.8298       6.209412  196.7140       5.923240  3.210556       3.024270  
1 1 1 2   15 10 o 84.26381 0.9532453 70.84662       1.603670  73.80495       2.353961  68.28443       2.190693  3.274544       1.906491  
1 1 1 2   15 11 o 132.6533 1.420949  175.5067       3.760417  183.3879       5.559659  168.8607       5.105399  5.470444       2.841897  
1 1 1 2   15 12 o 160.6467 1.701558  258.2232       5.466630  259.9410       7.785094  256.5524       7.677984  1.053207       3.403117  
1 1 1 2   15 13 o 135.7700 1.453052  184.3006       3.943458  187.8937       5.690960  180.9817       5.469418  2.542953       2.906105  
1 1 1 2   15 14 f 223.1262 2.336371  498.2285       10.42216  506.1582       14.98843  490.8052       14.50192  3.431564       4.672741  
1 1 1 2   15 15 o 291.8271 3.042520  853.4351       17.75757  851.0700       25.03697  855.8290       25.18971  -0.8115845     6.085041  
1 1 1 2   15 16 f 195.8863 2.059849  384.0266       8.068336  379.8999       11.27723  388.3542       11.54830  -2.153122      4.119698  
1 1 1 2   15 17 o 119.5575 1.298157  142.6275       3.097227  148.3776       4.565554  137.7251       4.215625  4.450867       2.596315  
1 1 1 2   15 18 o 153.4530 1.633507  235.1900       5.005260  228.0993       6.849360  243.3159       7.332305  -4.950607      3.267015  
1 1 1 2   15 19 o 173.3398 1.832027  300.7082       6.350431  303.4913       9.069329  298.0309       8.894940  1.571823       3.664054  
1 1 1 2   15 20 o 142.3018 1.522116  201.7386       4.316225  212.7891       6.442644  192.7401       5.813806  7.034256       3.044231  
1 1 1 2   15 21 o 158.2871 1.681189  250.7615       5.321983  249.4024       7.484772  252.1512       7.568773  -0.8667145     3.362379  
1 1 1 2   15 22 o 120.1347 1.303845  143.7528       3.121441  137.1735       4.204853  151.8290       4.658722  -6.092392      2.607690  
1 1 1 2   15 23 f 153.9785 1.639736  236.5391       5.035480  227.2843       6.821296  247.6218       7.464591  -6.589355      3.279472  
1 1 1 2   15 24 o 108.6149 1.195660  118.0026       2.596605  119.8262       3.725870  116.2805       3.620697  1.630302       2.391321  
1 1 1 2   15 25 o 76.01855 0.8970274 57.61052       1.360348  60.51289       2.012679  55.16952       1.845783  3.511993       1.794055  
1 1 1 2   15 26 o 125.8603 1.673504  159.4417       3.993213  156.1772       6.803413  161.1573       4.932155  -2.039886      3.347008  
1 1 1 2   15 27 o 174.2027 2.625118  303.8918       9.122583  317.1188       13.49201  292.7517       12.38192  6.927536       5.250237  
1 1 1 2   15 28 o 165.1723 2.497828  273.9298       8.248083  269.5507       11.46976  278.6197       11.86961  -2.719437      4.995655  
1 1 1 2   15 29 o 131.7843 1.424539  172.4058       3.727423  161.7828       4.927616  186.6142       5.698827  -9.387550      2.849078  
1 1 1 2   15 30 f 70.70470 0.8537585 49.98718       1.206805  48.59860       1.678113  51.47451       1.736757  -2.032059      1.707517  
1 1 1 2   15 31 o 76.16489 0.9009013 57.72931       1.367198  54.42260       1.838889  61.81651       2.044420  -4.846970      1.801803  
1 1 1 2   15 32 o 17.07532 0.8400453 2.838852       0.2769514 4.100781       0.4288725 1.936185       0.3627226 6.335991       1.680091  
1 1 1 2   15 33 f 34.91508 0.6527876 12.04385       0.4527895 13.61343       0.6904104 10.85925       0.5997913 3.941364       1.305575  
1 1 1 2   15 34 o 26.06009 0.8815200 6.700714       0.4531241 5.297829       0.6054783 8.486664       0.6831596 -6.114782      1.763040  
1 1 1 2   15 35 o 21.51120 0.7282652 4.621131       0.3120993 4.739638       0.4647539 4.523794       0.4212029 0.4999790      1.456530  
1 1 1 2   15 36 o 48.76786 0.7095354 23.75832       0.6913663 22.46171       0.9554969 25.18312       1.001612  -2.788239      1.419071  
1 1 1 2   15 37 o 79.48283 0.9385219 63.26153       1.491651  62.10752       2.085294  64.47076       2.134595  -1.483459      1.877044  
1 1 1 2   15 38 o 25.95597 0.7104897 6.457581       0.3592176 9.011559       0.5730246 4.804166       0.4610580 8.099304       1.420979  
1 1 1 2   15 39 f 38.06059 0.6792197 14.38599       0.5147000 15.74423       0.7740877 13.30964       0.6890948 3.193642       1.358439  
1 1 1 2   15 40 o 25.70003 0.8192495 6.730537       0.4136544 7.524810       0.5584903 5.765290       0.6156726 3.427263       1.638499  
1 1 1 2   15 41 o 44.41864 0.9287935 19.55480       0.8202301 17.67447       1.090801  22.00134       1.244247  -4.856178      1.857587  
1 1 1 2   15 42 o 35.10455 0.8881550 12.29790       0.6221806 13.35658       0.9150560 11.38761       0.8485010 2.798164       1.776310  
1 1 1 2   15 43 o 66.75687 1.781620  0.000000       0.000000  ?              ?         44.79679       2.378707  ?              ?         
1 1 1 2   15 44 o 45.85436 0.7404352 21.07453       0.6787648 20.42007       0.9613208 21.72518       0.9585221 -1.423367      1.480870  
1 1 1 2   15 45 o 59.12772 0.8081127 34.95455       0.9543433 33.10387       1.309879  37.04835       1.393268  -3.326427      1.616225  
1 1 1 2   15 46 o 40.77194 0.7255377 16.66519       0.5910431 16.50709       0.8528756 16.81127       0.8198260 -0.3764420     1.451075  
1 1 1 2   15 47 o 53.63000 0.8622710 28.92694       0.9073259 28.45518       1.422802  29.25028       1.177914  -0.7724190     1.724542  
1 1 1 2   15 48 o 25.80746 1.364496  6.596550       0.6968373 7.592517       1.086241  5.900027       0.9083897 3.238070       2.728991  
1 1 1 2   15 49 o 45.45777 0.8149550 20.87098       0.7352112 19.32051       1.083596  22.19362       1.000821  -3.172016      1.629910  
1 1 1 2   15 50 o 53.96963 0.9966317 29.18438       1.061095  29.83794       1.650035  28.72351       1.385596  0.9840546      1.993263  
1 1 1 2   15 51 o 8.337387 1.765113  0.5641137      0.3619356 1.264108       0.5511068 0.3321581E-01  0.4799478 5.182438       3.530226  
1 1 1 2   15 52 o 36.31209 0.9832081 13.18866       0.7119666 14.41145       1.055267  12.16702       0.9645789 3.070736       1.966416  
1 1 1 2   15 53 o 32.62381 0.9836358 10.68741       0.6411735 11.29511       0.9298465 10.13654       0.8853050 1.765902       1.967272  
1 1 1 2   15 54 o 8.830900 1.995636  0.7732323      0.3978900 0.9316959      0.5973851 0.6468810      0.5334328 1.301044       3.991273  
1 1 1 2   15 55 o 15.54525 1.398686  2.450404       0.4319089 2.438537       0.6486514 2.459856       0.5789045 -0.9234524E-01 2.797373  
1 1 1 2   16 0  o 189.7668 1.996386  359.5997       7.562685  348.1635       10.32292  372.8488       11.11101  -6.493042      3.992772  
1 1 1 2   16 1  o 149.9090 1.595159  224.5568       4.777530  219.0033       6.577694  230.7579       6.950614  -3.916336      3.190319  
1 1 1 2   16 2  o 51.58109 0.6832889 26.26289       0.6992636 23.99421       0.9205181 29.35822       1.075224  -5.198818      1.366578  
1 1 1 2   16 3  o 142.2143 1.516698  201.4361       4.297793  192.4957       5.785785  212.4421       6.419484  -7.005753      3.033396  
1 1 1 2   16 4  o 134.7592 1.448997  181.6815       3.905278  181.5564       5.510123  181.8078       5.535761  -0.9297180E-01 2.897994  
1 1 1 2   16 5  o 140.9093 1.504608  198.5315       4.238140  202.3009       6.110929  195.0381       5.882848  2.574448       3.009216  
1 1 1 2   16 6  o 199.1689 2.092609  396.9901       8.334136  392.9640       11.65425  401.2039       11.92283  -2.064133      4.185218  
1 1 1 2   16 7  o 231.1010 2.418905  534.6730       11.17818  540.5885       15.99304  529.0230       15.62988  2.495178       4.837811  
1 1 1 2   16 8  o 152.8095 1.623299  233.6335       4.960856  232.3587       6.973651  234.9395       7.058539  -0.8433380     3.246599  
1 1 1 2   16 9  f 204.7471 2.153184  419.6226       8.816708  422.0265       12.54520  417.2765       12.39360  1.157410       4.306368  
1 1 1 2   16 10 o 226.4362 2.371816  512.5556       10.72680  498.6821       14.71946  528.2679       15.66458  -6.515472      4.743632  
1 1 1 2   16 11 o 154.6037 1.641527  239.0594       5.073822  242.8750       7.296218  235.4862       7.060522  2.386566       3.283055  
1 1 1 2   16 12 o 90.91887 1.019260  82.05445       1.842697  77.20692       2.451936  88.34538       2.793226  -6.122650      2.038520  
1 1 1 2   16 13 o 71.88792 0.8565485 51.68119       1.231428  52.38581       1.753111  50.99492       1.730121  0.9672318      1.713097  
1 1 1 2   16 14 f 83.69196 0.9578544 69.21338       1.588748  64.18052       2.084042  76.19677       2.454890  -7.175659      1.915709  
1 1 1 2   16 15 f 104.6265 1.154368  109.3950       2.413582  106.9364       3.333395  112.1045       3.499284  -2.468033      2.308737  
1 1 1 2   16 16 o 347.4586 3.621702  1211.457       25.16464  1201.353       35.25520  1221.952       35.93077  -2.940460      7.243404  
1 1 1 2   16 17 o 277.4860 2.897126  771.4190       16.07009  758.4068       22.30598  785.4610       23.17182  -4.848969      5.794252  
1 1 1 2   16 18 o 177.4619 1.875334  315.2310       6.655356  312.7882       9.334218  317.7572       9.491953  -1.396790      3.750668  
1 1 1 2   16 19 o 133.6858 1.438629  178.1941       3.835026  186.8347       5.693316  171.0171       5.188816  5.907684       2.877258  
1 1 1 2   16 20 f 116.4613 1.269053  135.7061       2.955880  135.2824       4.168715  136.1345       4.191874  -0.3654556     2.538106  
1 1 1 2   16 21 o 120.7468 1.310997  145.8705       3.165542  144.4631       4.432897  147.3351       4.521937  -1.187645      2.621994  
1 1 1 2   16 22 f 126.9401 1.373865  161.2222       3.487107  163.3655       4.998850  159.1906       4.866827  1.641624       2.747730  
1 1 1 2   16 23 o 80.24005 1.151131  65.52448       1.773821  60.28746       2.887701  68.69797       2.247910  -5.252792      2.302261  
1 1 1 2   16 24 o 93.68620 1.512154  87.62506       2.827039  91.52227       4.169536  84.30904       3.846096  3.840408       3.024308  
1 1 1 2   16 25 o 206.4511 3.089577  428.7452       12.75673  427.3569       17.98044  430.1522       18.10166  -0.6687469     6.179154  
1 1 1 2   16 26 o 175.1688 2.268096  310.2066       7.582643  315.7657       9.454839  300.1860       12.69394  4.623810       4.536193  
1 1 1 2   16 27 o 38.58058 0.6594619 14.88965       0.5088452 14.94804       0.7211400 14.83174       0.7181012 0.1506653      1.318924  
1 1 1 2   16 28 o 84.56943 0.9753560 71.27934       1.644428  75.23761       2.446802  68.01870       2.220743  4.260857       1.950712  
1 1 1 2   16 29 o 92.37666 1.047585  85.41695       1.935301  84.72127       2.716704  86.13377       2.757613  -0.7630463     2.095169  
1 1 1 2   16 30 o 205.1954 2.168065  423.0529       8.892802  415.4741       12.33722  431.2492       12.82989  -3.800552      4.336130  
1 1 1 2   16 31 o 99.81715 1.119392  99.15746       2.224415  93.55054       2.977576  106.2385       3.346185  -6.337051      2.238785  
1 1 1 2   16 32 o 92.19167 1.048604  84.96945       1.931118  82.22128       2.652797  88.06745       2.816582  -3.162468      2.097208  
1 1 1 2   16 33 o 80.89396 1.200764  65.90364       1.922351  63.13846       2.903480  68.06184       2.565089  -3.064194      2.401528  
1 1 1 2   16 34 o 131.9294 1.431338  174.5645       3.776046  172.3985       5.280143  176.8319       5.402221  -1.670639      2.862676  
1 1 1 2   16 35 o 41.21597 0.6753481 17.00481       0.5565242 16.81839       0.7945258 17.18436       0.7797699 -0.4445686     1.350696  
1 1 1 2   16 36 o 18.81496 0.7948248 3.553561       0.2968246 3.466615       0.4451934 3.623143       0.3982631 -0.4185677     1.589650  
1 1 1 2   16 37 o 12.65425 1.265727  1.786287       0.2738632 0.7104598      0.3835318 2.905470       0.3911836 -8.759655      2.531455  
1 1 1 2   16 38 o 58.81383 0.7833838 34.62026       0.9207810 35.11879       1.332130  34.16417       1.274165  0.8078537      1.566768  
1 1 1 2   16 39 f 62.43919 0.8096534 38.84046       1.008069  36.34255       1.362971  41.85699       1.497797  -4.406101      1.619307  
1 1 1 2   16 40 f 110.1234 1.230398  121.7396       2.709031  119.5336       3.772849  124.0873       3.892237  -2.052605      2.460795  
1 1 1 2   16 41 o 54.97733 0.7652920 30.21932       0.8400412 31.24353       1.231656  29.32848       1.148676  1.734901       1.530584  
1 1 1 2   16 42 o 27.61725 0.7303439 7.560880       0.4012246 8.475530       0.6064298 6.848796       0.5350793 2.939079       1.460688  
1 1 1 2   16 43 o 33.50874 0.7784573 11.28439       0.5193701 11.63792       0.7086191 10.87405       0.7634413 1.145206       1.556915  
1 1 1 2   16 44 o 7.563354 1.830144  0.5291572      0.3335229 0.5803931      0.4848360 0.4831311      0.4595261 0.5005736      3.660287  
1 1 1 2   16 45 o 54.47614 1.278866  30.04895       1.319384  29.31197       2.249147  30.43561       1.629139  -1.142361      2.557732  
1 1 1 2   16 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   16 47 o 41.71536 0.8478690 17.42009       0.6842370 17.62116       1.123011  17.30137       0.8629014 0.3467216      1.695738  
1 1 1 2   16 48 o 46.96901 0.8230689 22.23097       0.7661388 21.36685       1.151605  22.91711       1.026177  -1.668427      1.646138  
1 1 1 2   16 49 o 105.9927 1.690792  113.9960       3.584124  113.4621       5.045011  114.5401       5.092761  -0.4938049     3.381584  
1 1 1 2   16 50 o 34.96490 0.9634324 12.27068       0.6726667 11.33629       0.9333987 13.28032       0.9702604 -2.772915      1.926865  
1 1 1 2   16 51 o 28.32913 0.9995286 8.056254       0.5655081 8.412271       0.8272148 7.743884       0.7748497 1.168325       1.999057  
1 1 1 2   16 52 o 62.50695 1.149992  39.37978       1.437328  40.05228       2.059561  38.74128       2.006841  1.035286       2.299984  
1 1 1 2   16 53 o 10.99168 1.831732  1.246426       0.4033172 1.788440       0.6086161 0.8220357      0.5385436 4.107480       3.663463  
1 1 1 2   16 54 f 34.55981 0.9892237 12.03054       0.6831204 11.40636       0.9637507 12.66078       0.9684224 -1.813705      1.978447  
1 1 1 2   16 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   17 0  o 111.8476 1.721129  124.4402       3.831771  132.5099       5.767198  118.0626       5.127004  6.449745       3.442258  
1 1 1 2   17 1  o 129.0412 1.958654  165.9178       5.036449  174.9790       7.518548  158.5421       6.783294  6.357483       3.917309  
1 1 1 2   17 2  o 175.6403 2.621358  306.3777       9.142733  288.7143       12.09714  329.9069       13.96200  -11.68797      5.242717  
1 1 1 2   17 3  o 268.8840 3.436097  725.9005       17.46377  721.7106       30.04817  728.0377       21.46043  -1.403748      6.872194  
1 1 1 2   17 4  o 121.1204 1.309117  145.9550       3.157241  154.9777       4.740132  138.7603       4.232836  6.689568       2.618235  
1 1 1 2   17 5  o 68.25671 0.8160442 46.59636       1.114006  46.75892       1.577386  46.43459       1.573506  0.2375488      1.632088  
1 1 1 2   17 6  o 92.32237 1.031794  84.98351       1.900622  89.03528       2.807524  81.55561       2.582345  4.049011       2.063587  
1 1 1 2   17 7  o 281.2959 2.936350  792.7340       16.51784  798.9570       23.56875  786.7272       23.15623  2.164063       5.872701  
1 1 1 2   17 8  o 153.9127 1.636528  236.9498       5.036016  233.6630       7.015816  240.4433       7.233162  -2.199692      3.273056  
1 1 1 2   17 9  o 92.84282 1.038000  86.10735       1.925547  88.68646       2.798865  83.78962       2.653237  2.635857       2.076001  
1 1 1 2   17 10 o 111.2753 1.215604  123.7607       2.703496  126.6462       3.911237  121.1208       3.741078  2.480911       2.431208  
1 1 1 2   17 11 o 269.8630 2.818243  729.6528       15.20899  735.9141       21.70931  723.6177       21.31367  2.268097       5.636486  
1 1 1 2   17 12 o 98.18486 1.090937  96.42801       2.142161  95.95928       3.011574  96.90805       3.047695  -0.4827957     2.181874  
1 1 1 2   17 13 o 245.8737 2.571458  605.5516       12.64345  611.1136       18.05472  600.1993       17.71132  2.210861       5.142915  
1 1 1 2   17 14 f 121.0352 1.312476  146.4744       3.175488  143.7939       4.406683  149.3699       4.579964  -2.301132      2.624952  
1 1 1 2   17 15 o 29.18296 0.6497324 8.475092       0.3772721 9.782815       0.5534384 7.339853       0.5156503 4.185333       1.299465  
1 1 1 2   17 16 o 164.3693 1.743123  270.3370       5.728624  266.7361       7.986010  274.1541       8.222147  -2.251907      3.486246  
1 1 1 2   17 17 f 152.9933 1.630182  233.7785       4.979335  226.4067       6.803699  242.2812       7.306881  -5.178314      3.260364  
1 1 1 2   17 18 o 252.4066 2.641886  638.5742       13.33440  632.5307       18.65714  644.8846       19.06484  -2.433517      5.283772  
1 1 1 2   17 19 o 157.9691 1.682049  249.7832       5.313434  247.4092       7.437343  252.2581       7.593760  -1.531006      3.364098  
1 1 1 2   17 20 o 250.6082 3.200218  636.4953       15.36140  610.9802       25.45534  651.1090       19.26460  -8.312729      6.400436  
1 1 1 2   17 21 o 172.1411 2.591968  297.1705       8.921558  293.3509       12.45425  301.1965       12.78628  -2.264542      5.183936  
1 1 1 2   17 22 o 132.9476 2.041753  177.1440       5.428906  176.6059       7.669054  177.6845       7.686241  -0.4049683     4.083505  
1 1 1 2   17 23 o 188.0871 2.436728  355.9721       8.672678  357.8991       10.67703  352.2350       14.86892  1.725235       4.873455  
1 1 1 2   17 24 o 91.26222 1.035131  82.98534       1.883173  79.13332       2.541764  87.67290       2.803909  -4.672104      2.070261  
1 1 1 2   17 25 o 103.2002 1.146966  106.2628       2.361294  111.2992       3.493223  102.0253       3.204211  4.484016       2.293932  
1 1 1 2   17 26 o 79.70770 0.9389441 63.47335       1.495115  65.82091       2.178862  61.38438       2.055364  2.779335       1.877888  
1 1 1 2   17 27 o 70.93843 0.8613325 49.44477       1.206583  56.05663       1.898667  44.96576       1.562709  7.807442       1.722665  
1 1 1 2   17 28 o 92.06873 1.045012  84.85201       1.924057  84.01334       2.697330  85.72082       2.745362  -0.9253922     2.090025  
1 1 1 2   17 29 o 37.63720 0.6615304 14.15835       0.4976876 13.57535       0.6917148 14.78409       0.7166188 -1.605057      1.323061  
1 1 1 2   17 30 f 120.6597 1.320656  145.9113       3.186890  146.7369       4.529659  145.1021       4.484568  0.6747131      2.641311  
1 1 1 2   17 31 o 21.34158 0.7462349 4.585533       0.3165414 4.215390       0.4615016 4.914369       0.4349883 -1.638577      1.492470  
1 1 1 2   17 32 o 97.17136 1.096069  94.54290       2.129062  96.13886       3.069207  93.06261       2.955887  1.576241       2.192137  
1 1 1 2   17 33 o 56.52626 0.7565144 31.80654       0.8528071 29.61429       1.154485  34.43946       1.265208  -4.263344      1.513029  
1 1 1 2   17 34 o 84.00606 0.9785472 70.39795       1.639567  66.90037       2.220545  74.59039       2.431135  -4.563820      1.957094  
1 1 1 2   17 35 o 16.05058 0.8968129 2.592680       0.2863674 2.423229       0.4181716 2.742323       0.3929715 -0.9956074     1.793626  
1 1 1 2   17 36 o 53.20897 0.7470843 28.34465       0.7948183 28.36630       1.137499  28.32399       1.111053  0.3828812E-01  1.494169  
1 1 1 2   17 37 o 20.89572 0.7785636 4.381804       0.3241302 4.255281       0.4757664 4.491394       0.4427871 -0.5671158     1.557127  
1 1 1 2   17 38 o 16.31191 0.9262314 2.693280       0.2989495 2.424152       0.4417384 2.920697       0.4060673 -1.525033      1.852463  
1 1 1 2   17 39 o 113.1518 1.261605  128.4750       2.852625  125.1119       3.936718  132.1931       4.139345  -3.102707      2.523211  
1 1 1 2   17 40 o 59.35326 0.7962744 35.28003       0.9447029 35.75331       1.362525  34.84187       1.310988  0.7633858      1.592549  
1 1 1 2   17 41 f 72.19949 0.8959910 52.05148       1.290716  49.22108       1.752846  55.40393       1.907660  -4.265495      1.791982  
1 1 1 2   17 42 o 38.02463 1.149095  14.29538       0.8650538 16.17264       1.345211  12.97169       1.129587  4.177288       2.298189  
1 1 1 2   17 43 o 83.10268 1.086181  68.78886       1.763005  72.03829       2.843798  66.76038       2.246887  3.087868       2.172363  
1 1 1 2   17 44 o 29.76358 1.239532  8.898008       0.7316381 9.033261       1.112807  8.795028       0.9710119 0.3751373      2.479064  
1 1 1 2   17 45 o 26.08215 0.7892465 6.690996       0.4077131 8.043267       0.6266696 5.698487       0.5368757 4.484509       1.578493  
1 1 1 2   17 46 o 29.70126 0.7658666 8.784146       0.4529557 9.504560       0.6806064 8.211378       0.6068684 2.167534       1.531733  
1 1 1 2   17 47 o 61.81196 1.010219  37.15427       1.167937  35.05802       1.402228  41.90288       2.110473  -5.411430      2.020437  
1 1 1 2   17 48 o 65.49414 1.171282  43.17861       1.533793  42.45672       2.137822  43.94437       2.201816  -1.122086      2.342564  
1 1 1 2   17 49 o 27.82640 1.001168  7.710511       0.5543060 8.834670       0.8297654 6.804547       0.7448981 3.631012       2.002335  
1 1 1 2   17 50 f 41.47363 0.9699795 17.27171       0.8038814 17.96487       1.166688  16.64517       1.109209  1.579071       1.939959  
1 1 1 2   17 51 o 72.89342 1.270009  53.63467       1.850757  54.83943       2.664091  52.51086       2.573016  1.571747       2.540017  
1 1 1 2   17 52 o 17.59916 1.243751  3.089121       0.4346967 3.483033       0.6645043 2.794454       0.5747293 1.929972       2.487501  
1 1 1 2   17 53 o 15.95435 1.413497  2.627410       0.4425325 2.241811       0.6593456 2.943497       0.5969648 -2.220720      2.826995  
1 1 1 2   17 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   18 0  o 118.3083 1.282754  139.8840       3.032802  143.4144       4.395866  136.6772       4.189622  2.844986       2.565508  
1 1 1 2   18 1  o 85.16039 0.9691019 71.57053       1.634696  79.39980       2.533994  65.98979       2.139394  7.870018       1.938204  
1 1 1 2   18 2  o 44.70685 0.6536955 19.93096       0.5835057 19.00995       0.7973451 20.99296       0.8561980 -2.217457      1.307391  
1 1 1 2   18 3  f 16.73112 0.9286675 2.672256       0.3009472 2.324327       0.3731442 3.319746       0.5090353 -2.973624      1.857335  
1 1 1 2   18 4  o 193.7544 2.883593  376.0120       11.16934  370.1541       15.52526  382.2969       16.08107  -3.119171      5.767186  
1 1 1 2   18 5  o 89.90546 1.423473  80.84953       2.559040  81.93633       3.664089  79.81458       3.575592  1.178833       2.846946  
1 1 1 2   18 6  o 232.3177 3.442254  541.3513       15.99326  538.7652       22.49547  543.9945       22.74233  -1.117661      6.884508  
1 1 1 2   18 7  o 307.8804 3.965964  940.0619       22.57859  982.7162       41.00346  921.5002       27.04879  9.432465       7.931928  
1 1 1 2   18 8  o 198.4607 2.088641  394.2667       8.289058  397.9321       11.84350  390.7473       11.60513  1.805389       4.177281  
1 1 1 2   18 9  o 129.7051 1.400350  168.2988       3.632197  169.9913       5.186543  166.6698       5.088272  1.279037       2.800699  
1 1 1 2   18 10 f 54.39680 0.7333388 29.53171       0.7965593 28.53989       1.089951  30.66871       1.167002  -1.956177      1.466678  
1 1 1 2   18 11 o 145.1113 1.550891  210.6938       4.500474  212.5957       6.425800  208.8626       6.305178  1.284286       3.101782  
1 1 1 2   18 12 f 216.0188 2.267535  466.6907       9.784273  480.5506       14.27214  454.4009       13.43947  6.031952       4.535070  
1 1 1 2   18 13 o 91.30396 1.029847  83.31399       1.879293  85.42272       2.719495  81.38653       2.599975  2.208916       2.059694  
1 1 1 2   18 14 o 101.0398 1.126071  100.4341       2.246686  112.6070       3.533323  92.17181       2.910940  10.10417       2.252142  
1 1 1 2   18 15 o 102.3113 1.134654  104.2677       2.314026  110.1140       3.446685  99.46984       3.122354  5.197197       2.269308  
1 1 1 2   18 16 o 225.9698 2.371770  511.0127       10.70554  497.8879       14.70676  525.8063       15.61375  -6.147614      4.743539  
1 1 1 2   18 17 f 133.3674 1.764387  178.4749       4.442843  176.9909       7.657909  179.2278       5.454690  -0.8971405     3.528774  
1 1 1 2   18 18 o 95.15771 1.530941  90.64532       2.913593  90.31918       4.110341  90.97467       4.130620  -0.3439178     3.061882  
1 1 1 2   18 19 o 250.5855 3.730682  631.7943       18.68666  643.8828       26.97097  620.6341       25.91452  4.570740       7.461364  
1 1 1 2   18 20 o 38.31627 0.8966574 15.17788       0.6235402 15.92939       0.7500684 13.49671       1.121864  3.180843       1.793315  
1 1 1 2   18 21 o 144.1982 1.546417  208.0518       4.456447  203.5853       6.160249  212.9556       6.454798  -3.238998      3.092835  
1 1 1 2   18 22 f 24.31406 0.7103323 5.899115       0.3449066 5.482548       0.4755755 6.361332       0.5009568 -1.806717      1.420665  
1 1 1 2   18 23 o 176.1674 1.868307  311.1879       6.582532  312.2542       9.348238  310.1392       9.270463  0.5962524      3.736614  
1 1 1 2   18 24 o 193.6139 2.048506  376.2124       7.931477  379.4222       11.31972  373.1168       11.11665  1.615250       4.097012  
1 1 1 2   18 25 o 76.04928 0.9016544 57.81815       1.370486  56.25679       1.896212  59.52575       1.983023  -2.146606      1.803309  
1 1 1 2   18 26 o 168.8143 1.796373  285.5479       6.058225  293.6183       8.822217  278.3462       8.333873  4.491348       3.592746  
1 1 1 2   18 27 o 31.39750 0.6600631 9.861416       0.4144433 10.05534       0.5903485 9.672964       0.5819640 0.6086922      1.320126  
1 1 1 2   18 28 o 84.77188 0.9828945 71.66625       1.661764  68.34866       2.250003  75.64764       2.464842  -4.295494      1.965789  
1 1 1 2   18 29 o 135.2731 1.464123  183.5226       3.961117  183.6546       5.609325  183.3912       5.594436  0.9629822E-01  2.928246  
1 1 1 2   18 30 o 74.81396 1.237351  55.87445       1.846249  53.27065       2.499915  58.99854       2.738320  -3.812668      2.474702  
1 1 1 2   18 31 o 130.4011 1.416003  170.4785       3.691118  173.3964       5.321113  167.7723       5.124496  2.141190       2.832007  
1 1 1 2   18 32 f 10.58488 1.274984  1.156548       0.2600271 1.024273       0.3855686 1.266896       0.3521651 -1.318338      2.549968  
1 1 1 2   18 33 o 39.16716 0.6747068 15.29700       0.5270931 16.10467       0.7811023 14.62172       0.7142234 1.890007       1.349414  
1 1 1 2   18 34 o 76.40276 0.9153220 58.45982       1.398334  58.95225       2.002707  57.99139       1.953304  0.6256409      1.830644  
1 1 1 2   18 35 o 76.76045 0.9210124 58.93837       1.412648  56.86075       1.947409  61.24580       2.052288  -2.848717      1.842025  
1 1 1 2   18 36 o 59.38136 0.7877827 35.29640       0.9353505 34.33249       1.306465  36.31004       1.339733  -1.662891      1.575565  
1 1 1 2   18 37 o 23.41233 0.7484159 5.494093       0.3500425 5.381025       0.5041184 5.599364       0.4864253 -0.4675503     1.496832  
1 1 1 2   18 38 o 13.59599 1.072544  1.864612       0.2892751 1.766886       0.4309214 1.944776       0.3902843 -0.6587324     2.145089  
1 1 1 2   18 39 o 63.37256 0.8274346 40.23682       1.048588  39.34497       1.471145  41.15783       1.494997  -1.428158      1.654869  
1 1 1 2   18 40 o 24.28254 0.7807148 5.940912       0.3761357 5.086555       0.5324690 6.791858       0.5314050 -3.511477      1.561430  
1 1 1 2   18 41 o 10.02736 1.979377  1.046153       0.3550023 0.9094641      0.8204051 1.077643       0.3937774 -0.2863874     3.958754  
1 1 1 2   18 42 o 88.81477 1.518491  79.58512       2.697130  78.93271       3.823856  80.23107       3.804852  -0.7348633     3.036982  
1 1 1 2   18 43 o 62.68439 0.8382663 39.40971       1.050822  38.91682       1.489436  39.89820       1.482762  -0.7836075     1.676533  
1 1 1 2   18 44 f 56.48428 0.7986937 31.71914       0.8971202 34.48887       1.360207  29.58669       1.193513  4.319542       1.597387  
1 1 1 2   18 45 o 37.53453 0.7368956 14.05788       0.5516265 15.02156       0.8185298 13.25601       0.7466508 2.342957       1.473791  
1 1 1 2   18 46 o 73.09991 0.9952446 53.81772       1.448038  55.01807       1.966818  52.39698       2.139767  1.823082       1.990489  
1 1 1 2   18 47 f 41.67129 0.9137695 17.47406       0.7598930 18.13948       1.053896  16.75352       1.096682  1.670094       1.827539  
1 1 1 2   18 48 o 25.67643 0.9912663 6.628082       0.5090024 6.719110       0.7253493 6.539768       0.7144507 0.3470936      1.982533  
1 1 1 2   18 49 o 28.75898 0.9675635 8.312803       0.5559663 8.423278       0.8066983 8.212858       0.7672910 0.3576622      1.935127  
1 1 1 2   18 50 f 29.80672 0.9789941 8.939689       0.5829874 8.416162       0.8201872 9.474291       0.8288179 -1.773127      1.957988  
1 1 1 2   18 51 o 22.78174 1.087132  5.214293       0.4944282 5.504787       0.7266280 4.963828       0.6747092 1.174019       2.174263  
1 1 1 2   18 52 o 28.89189 1.021589  8.406596       0.5902051 8.542944       0.8446011 8.276474       0.8250929 0.4561539      2.043177  
1 1 1 2   18 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   19 0  o 168.8642 1.788724  285.2815       6.038807  289.9534       8.682997  280.9048       8.404154  2.674225       3.577449  
1 1 1 2   19 1  o 144.8174 1.547282  209.8628       4.481444  210.3400       6.350050  209.3892       6.325459  0.3278656      3.094565  
1 1 1 2   19 2  o 172.8223 1.828188  298.7315       6.314850  292.9626       8.742238  305.0256       9.131572  -3.482727      3.656376  
1 1 1 2   19 3  o 172.0640 1.824364  296.2785       6.276906  293.0669       8.772963  299.6469       8.984592  -1.908096      3.648729  
1 1 1 2   19 4  o 126.3444 1.365530  158.6432       3.431448  150.1725       4.573251  169.5560       5.190802  -7.662048      2.731060  
1 1 1 2   19 5  o 168.8900 1.788711  285.3733       6.039437  280.9339       8.398333  290.1278       8.691306  -2.716309      3.577423  
1 1 1 2   19 6  f 393.9412 4.107140  1558.513       32.33491  1593.535       46.83105  1526.606       44.70026  8.400208       8.214279  
1 1 1 2   19 7  o 181.8727 2.351537  331.7028       8.077392  332.4367       9.915277  330.2549       13.92737  0.7019958      4.703074  
1 1 1 2   19 8  o 296.4949 4.387259  884.4527       26.01584  886.1967       36.86894  882.7231       36.71544  0.5782471      8.774517  
1 1 1 2   19 9  o 148.7050 2.239211  221.1001       6.649657  214.7619       9.110309  228.3272       9.728136  -4.545242      4.478422  
1 1 1 2   19 10 o 186.1646 2.775884  347.4364       10.33456  350.0880       14.73047  344.8662       14.50274  1.394928       5.551769  
1 1 1 2   19 11 o 159.3627 2.198734  251.7402       6.768928  264.5063       11.24791  244.4918       8.475449  6.203751       4.397468  
1 1 1 2   19 12 o 237.2560 3.046929  564.8784       13.63465  564.8871       23.59477  564.8740       16.70646  -0.2738647     6.093858  
1 1 1 2   19 13 o 78.15611 0.9970186 60.52348       1.525307  63.88718       2.449169  58.39218       1.949542  3.508186       1.994037  
1 1 1 2   19 14 o 135.8375 2.076950  184.7656       5.640035  181.6436       7.836630  188.1203       8.123530  -2.374741      4.153901  
1 1 1 2   19 15 o 35.88886 1.041152  12.68304       0.7370387 16.08026       1.114894  10.04579       0.9823098 8.404949       2.082303  
1 1 1 2   19 16 o 115.0310 1.641134  131.5273       3.660892  128.6556       4.617049  136.3898       6.007943  -3.322929      3.282268  
1 1 1 2   19 17 o 159.6845 1.700536  255.3611       5.430419  253.4069       7.614342  257.3839       7.746919  -1.240952      3.401073  
1 1 1 2   19 18 o 37.31618 0.6635549 13.91937       0.4947428 13.72901       0.6827503 14.12984       0.7179177 -0.5365753     1.327110  
1 1 1 2   19 19 o 236.5294 2.484829  561.7202       11.75459  560.4901       16.58054  562.9631       16.66680  -0.5178070     4.969659  
1 1 1 2   19 20 o 74.46194 0.8870826 55.16385       1.315815  52.16512       1.767546  58.89138       1.970669  -4.511986      1.774165  
1 1 1 2   19 21 o 107.6482 1.189215  115.9984       2.560030  117.0375       3.654508  114.9971       3.587287  0.9454117      2.378431  
1 1 1 2   19 22 o 111.7790 1.231068  125.0682       2.751302  123.2372       3.833919  127.0123       3.950560  -1.684052      2.462137  
1 1 1 2   19 23 o 136.9686 1.476840  187.9714       4.045198  186.3655       5.671906  189.6338       5.770926  -1.188110      2.953679  
1 1 1 2   19 24 o 87.16310 1.000929  75.69403       1.738914  71.96028       2.344513  80.25957       2.592543  -4.751640      2.001857  
1 1 1 2   19 25 o 204.2419 2.159470  419.3984       8.819354  414.8584       12.32708  424.1589       12.62308  -2.249527      4.318940  
1 1 1 2   19 26 o 100.1489 1.122670  100.4587       2.248670  100.1712       3.173508  100.7486       3.186731  -0.2876358     2.245340  
1 1 1 2   19 27 o 61.79193 0.7955157 38.17509       0.9824357 39.24208       1.422323  37.20156       1.358613  1.648708       1.591031  
1 1 1 2   19 28 o 49.98417 0.7196574 25.00305       0.7194214 24.84921       1.016795  25.15727       1.018037  -0.3081131     1.439315  
1 1 1 2   19 29 f 32.09506 0.6901901 10.20370       0.4401820 8.761758       0.5924398 11.98073       0.6576823 -5.012308      1.380380  
1 1 1 2   19 30 f 41.29033 0.6827942 17.02834       0.5632636 17.82021       0.8197037 16.31994       0.7752998 1.814991       1.365588  
1 1 1 2   19 31 o 31.00937 0.6890309 9.591758       0.4265356 10.41296       0.6228596 8.866573       0.5853145 2.491730       1.378062  
1 1 1 2   19 32 o 54.55506 0.7472268 29.39846       0.8079198 32.71351       1.249098  27.01408       1.059348  5.213585       1.494454  
1 1 1 2   19 33 o 101.0056 1.138012  102.2962       2.298860  102.3077       3.262202  102.2849       3.240070  0.9475708E-02  2.276025  
1 1 1 2   19 34 o 37.98378 0.6937937 14.34021       0.5249656 15.64456       0.7862912 13.29118       0.7051467 3.093224       1.387587  
1 1 1 2   19 35 o 82.39571 0.9717900 68.03690       1.600986  68.67343       2.295456  67.43397       2.234063  0.7468185      1.943580  
1 1 1 2   19 36 o 45.21441 0.7149686 20.15892       0.6408686 22.92075       0.9895846 18.16385       0.8410693 5.249695       1.429937  
1 1 1 2   19 37 o 8.760918 1.574488  0.8041257      0.2757986 0.7830391      0.4122421 0.8212110      0.3710743 -0.1893930     3.148977  
1 1 1 2   19 38 o 56.67439 0.7797118 32.09219       0.8818595 33.49241       1.300053  30.89880       1.200199  2.279339       1.559424  
1 1 1 2   19 39 o 28.13177 1.197998  7.888256       0.6682913 8.434557       1.026660  7.486579       0.8803363 1.663361       2.395997  
1 1 1 2   19 40 o 38.50416 0.9921522 14.98748       0.7519992 15.54441       0.9907367 14.23051       1.155047  1.727642       1.984304  
1 1 1 2   19 41 o 57.39399 0.7958449 32.89756       0.9111425 34.68443       1.349261  31.39964       1.235360  2.849194       1.591690  
1 1 1 2   19 42 o 10.54585 1.481846  1.109156       0.3050474 1.587778       0.4703721 0.7617378      0.4007483 4.019094       2.963692  
1 1 1 2   19 43 o 8.157295 1.704875  0.6823677      0.2944134 0.6836925      0.4595346 0.6814453      0.3834455 0.1198530      3.409750  
1 1 1 2   19 44 o 24.86076 0.8003424 6.141395       0.3960241 6.857862       0.5960050 5.574991       0.5299259 2.571020       1.600685  
1 1 1 2   19 45 f 58.01075 0.8895244 33.73941       1.023314  33.43741       1.358750  34.13519       1.555490  -0.5705948     1.779049  
1 1 1 2   19 46 f 16.31161 1.217030  2.680147       0.3969534 2.739154       0.5682492 2.623910       0.5547479 0.3502293      2.434060  
1 1 1 2   19 47 f 85.52556 1.415359  73.94511       2.420349  72.91114       3.376378  75.03809       3.471380  -1.216705      2.830717  
1 1 1 2   19 48 o 25.90962 0.9968764 6.688472       0.5140602 7.550786       0.7720469 6.001688       0.6890020 2.971460       1.993753  
1 1 1 2   19 49 o 38.32816 0.9759606 14.77571       0.7480699 15.04718       1.064430  14.51076       1.051549  0.6970100      1.951921  
1 1 1 2   19 50 o 64.64577 1.181032  42.14383       1.526048  41.22198       2.113963  43.14701       2.205246  -1.463520      2.362065  
1 1 1 2   19 51 o 66.43315 1.203374  44.56806       1.598373  43.90269       2.226901  45.27509       2.295543  -1.012230      2.406748  
1 1 1 2   19 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   20 0  o 47.26324 0.6810383 22.27398       0.6424410 21.33910       0.8750490 23.36711       0.9462160 -2.144867      1.362077  
1 1 1 2   20 1  o 115.6597 1.262097  133.4821       2.913027  128.7471       3.964543  139.0381       4.294495  -4.443909      2.524195  
1 1 1 2   20 2  o 174.7881 1.850138  305.7112       6.464828  301.0199       8.985838  310.7448       9.307961  -2.774780      3.700275  
1 1 1 2   20 3  o 79.18730 0.9290500 62.56273       1.468899  65.44923       2.155138  60.05842       2.007395  3.402176       1.858100  
1 1 1 2   20 4  f 166.7519 1.768624  278.1303       5.894239  272.4767       8.153583  284.3188       8.530621  -3.542587      3.537248  
1 1 1 2   20 5  o 242.7026 2.543218  590.1292       12.33967  581.2354       17.15549  599.6631       17.76219  -3.776794      5.086435  
1 1 1 2   20 6  o 245.6127 2.572212  604.4630       12.63033  595.4918       17.56852  614.0598       18.17067  -3.759567      5.144424  
1 1 1 2   20 7  o 83.85796 0.9651744 69.78660       1.609159  65.51753       2.139380  75.34838       2.441900  -5.857590      1.930349  
1 1 1 2   20 8  o 207.1279 2.182404  429.3763       9.031785  419.7376       12.44716  440.0942       13.12558  -4.892624      4.364807  
1 1 1 2   20 9  o 119.1319 1.298297  141.8052       3.089488  137.8649       4.243188  146.2510       4.507138  -3.514481      2.596593  
1 1 1 2   20 10 o 84.13708 1.214517  67.50072       1.817134  78.15579       3.608104  63.87978       2.103355  8.455345       2.429034  
1 1 1 2   20 11 o 170.0244 2.564242  289.6316       8.710979  283.1787       12.00430  296.8089       12.66023  -3.981049      5.128485  
1 1 1 2   20 12 o 110.4918 2.452049  122.2594       5.418625  122.2594       5.418625  ?              ?         ?              ?         
1 1 1 2   20 13 o 107.3939 2.351455  115.4987       5.050636  115.4987       5.050636  ?              ?         ?              ?         
1 1 1 2   20 14 o 173.4330 2.597513  301.4817       8.998309  310.7188       13.13076  293.3030       12.35565  4.980286       5.195026  
1 1 1 2   20 15 o 80.29331 1.303744  64.51100       2.092941  63.54838       2.914903  65.53540       3.006974  -1.234726      2.607488  
1 1 1 2   20 16 o 191.4295 2.492857  363.9475       8.856466  378.6801       15.95911  357.3912       10.64626  5.256729       4.985713  
1 1 1 2   20 17 o 56.06686 0.7479558 31.32212       0.8367373 33.27514       1.236320  29.67143       1.136609  3.211876       1.495912  
1 1 1 2   20 18 o 166.6136 1.771963  277.9941       5.899379  271.6537       8.139152  285.0119       8.562934  -3.987671      3.543927  
1 1 1 2   20 19 o 100.6276 1.124625  101.2444       2.261256  104.2019       3.284998  98.58100       3.117379  2.787064       2.249251  
1 1 1 2   20 20 o 81.20191 0.9480041 65.98083       1.539359  65.32239       2.154435  66.66757       2.200253  -0.8268585     1.896008  
1 1 1 2   20 21 o 79.23610 0.9299383 62.78418       1.472862  64.34934       2.126972  61.34223       2.041537  1.894814       1.859877  
1 1 1 2   20 22 o 141.8291 1.525764  201.6655       4.327910  201.1398       6.103842  202.1969       6.137475  -0.3706665     3.051528  
1 1 1 2   20 23 f 40.54164 0.6784504 16.18165       0.5456767 18.96967       0.8347926 14.10163       0.7210488 6.000378       1.356901  
1 1 1 2   20 24 o 95.22502 1.075950  90.66361       2.046612  87.97574       2.811013  93.69565       2.985559  -2.994820      2.151899  
1 1 1 2   20 25 o 34.70499 0.6786233 11.93529       0.4687439 10.68638       0.6286148 13.49947       0.7034954 -4.050430      1.357247  
1 1 1 2   20 26 o 96.08557 1.086908  92.44188       2.088035  90.95490       2.908053  94.02431       2.999945  -1.592079      2.173815  
1 1 1 2   20 27 o 23.95730 0.8865143 5.758772       0.4237759 5.362901       0.6037746 6.143147       0.5949422 -1.628834      1.773029  
1 1 1 2   20 28 o 72.23119 0.8806987 52.22428       1.271998  52.88401       1.822011  51.59703       1.776603  0.8886032      1.761397  
1 1 1 2   20 29 o 72.43397 0.8840221 52.54016       1.280648  52.62886       1.816311  52.45248       1.805954  0.1211700      1.768044  
1 1 1 2   20 30 o 15.50027 0.9907790 2.449815       0.3001683 1.873466       0.4280223 3.007586       0.4210673 -3.658863      1.981558  
1 1 1 2   20 31 f 28.45054 0.7121277 8.019021       0.4030153 9.216479       0.6044115 7.060419       0.5407816 3.785913       1.424255  
1 1 1 2   20 32 o 55.80523 0.7632532 31.17639       0.8515460 31.42739       1.223330  30.94044       1.186069  0.4340134      1.526506  
1 1 1 2   20 33 o 34.97472 0.6940898 12.17793       0.4839373 13.10908       0.7207687 11.41362       0.6530177 2.419785       1.388180  
1 1 1 2   20 34 o 124.6438 1.368616  156.0063       3.409579  152.4380       4.719870  159.9007       4.930788  -2.966026      2.737231  
1 1 1 2   20 35 f 39.30163 0.7017321 15.28795       0.5479101 17.07491       0.8358728 13.94170       0.7255167 3.978039       1.403464  
1 1 1 2   20 36 o 56.86458 0.8560089 32.41633       0.9571632 32.36598       1.496450  32.45119       1.245189  -0.9817886E-01 1.712018  
1 1 1 2   20 37 o 43.98524 1.123080  18.87935       0.9703870 22.39710       1.562605  16.67115       1.238045  6.466000       2.246161  
1 1 1 2   20 38 o 35.86878 0.9190617 12.97586       0.6141091 13.10302       0.7456505 12.70776       1.082726  0.5895844      1.838123  
1 1 1 2   20 39 o 81.23352 0.9758360 66.05054       1.581782  68.74972       2.333367  63.75546       2.151625  3.050064       1.951672  
1 1 1 2   20 40 f 70.60781 1.112722  50.53779       1.493906  51.56231       1.856184  48.65386       2.517067  2.160767       2.225445  
1 1 1 2   20 41 o 57.47115 0.8058556 33.06684       0.9248469 33.99839       1.352843  32.24949       1.267214  1.511444       1.611711  
1 1 1 2   20 42 o 32.69249 0.7438313 10.49929       0.4812014 12.32036       0.7492268 9.220645       0.6278040 4.726442       1.487663  
1 1 1 2   20 43 o 56.68059 0.8101110 32.22398       0.9179993 32.47812       1.318815  31.98509       1.278612  0.4292297      1.620222  
1 1 1 2   20 44 o 46.93849 0.8841878 22.01161       0.8026809 21.70598       1.010208  22.53502       1.321999  -0.8346786     1.768376  
1 1 1 2   20 45 o 49.68674 0.9585975 24.81179       0.9476713 24.84389       1.277526  24.77253       1.413129  0.9618378E-01  1.917195  
1 1 1 2   20 46 o 39.31925 0.9500564 15.42365       0.7443014 13.93215       1.005308  17.23303       1.107265  -4.178219      1.900113  
1 1 1 2   20 47 o 12.06186 1.652841  1.519459       0.3817336 1.595618       0.5800086 1.461259       0.5070275 0.5019445      3.305681  
1 1 1 2   20 48 o 60.47941 1.126964  36.86860       1.363160  36.97331       1.929819  36.76432       1.925785  0.1717682      2.253928  
1 1 1 2   20 49 o 23.38074 1.074017  5.534521       0.4994631 4.924775       0.7119549 6.125429       0.7008705 -2.570431      2.148034  
1 1 1 2   20 50 o 60.50788 1.142290  36.94706       1.382333  37.16896       1.960527  36.72769       1.949350  0.3614655      2.284580  
1 1 1 2   20 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   21 0  o 100.5610 1.121450  100.7225       2.247372  96.10288       3.027574  106.3918       3.353954  -5.109985      2.242901  
1 1 1 2   21 1  f 149.8943 1.600956  224.6673       4.794617  219.2276       6.604666  230.7279       6.971416  -3.826843      3.201912  
1 1 1 2   21 2  o 115.5498 1.263061  132.6938       2.903212  142.1795       4.388894  125.3140       3.871190  7.287483       2.526123  
1 1 1 2   21 3  o 204.3960 2.154355  418.6580       8.806819  418.8813       12.44540  418.4340       12.46406  0.1100464      4.308711  
1 1 1 2   21 4  o 175.3546 1.858578  306.7328       6.496009  322.4657       9.676883  293.8275       8.764256  8.138275       3.717156  
1 1 1 2   21 5  o 146.9824 1.573711  216.2864       4.626126  216.0722       6.528985  216.5024       6.555756  -0.1456604     3.147423  
1 1 1 2   21 6  o 88.93443 1.235176  80.33475       2.116352  74.52774       3.427776  83.91203       2.690370  -5.291069      2.470351  
1 1 1 2   21 7  o 38.43005 0.9865754 14.76923       0.7576362 14.62382       1.047746  14.92859       1.096860  -0.3956795     1.973151  
1 1 1 2   21 8  o 238.5222 3.554435  572.5873       16.95357  567.0992       23.72610  578.3128       24.23390  -2.317215      7.108870  
1 1 1 2   21 9  o 123.9619 1.643151  155.2493       3.893179  158.6441       4.867515  149.2213       6.486166  3.852608       3.286302  
1 1 1 2   21 10 o 159.3962 1.698614  254.5091       5.415034  254.3531       7.647163  254.6659       7.668911  -0.9735107E-01 3.397228  
1 1 1 2   21 11 o 67.84119 0.8311867 45.33236       1.116633  51.11385       1.734411  41.23951       1.459299  7.272453       1.662373  
1 1 1 2   21 12 o 169.4955 1.800032  287.8933       6.101851  288.8755       8.658380  286.9242       8.600551  0.5732117      3.600064  
1 1 1 2   21 13 o 214.7959 2.262242  462.6564       9.711879  472.4147       14.04584  453.7173       13.44331  4.318771       4.524484  
1 1 1 2   21 14 o 50.41236 0.7088258 25.38202       0.7139334 24.54156       0.9827105 26.32141       1.038943  -1.764221      1.417652  
1 1 1 2   21 15 o 176.2935 1.871062  311.6293       6.595923  308.5451       9.223872  314.8569       9.435826  -1.778564      3.742124  
1 1 1 2   21 16 o 190.6942 2.486106  362.4377       8.820014  357.0022       10.63277  374.4288       15.79264  -4.168915      4.972211  
1 1 1 2   21 17 o 140.7820 1.865007  196.6520       4.880605  193.0088       5.873903  204.7759       8.771330  -4.001617      3.730013  
1 1 1 2   21 18 o 102.6464 1.602133  105.3097       3.281484  110.1082       4.843342  101.2378       4.461568  4.299797       3.204266  
1 1 1 2   21 19 o 152.3816 2.303757  233.4973       7.020606  232.4234       9.867724  234.5981       9.990689  -0.7029572     4.607513  
1 1 1 2   21 20 o 94.89596 1.498387  90.15257       2.840523  93.13358       4.139638  87.50014       3.904848  2.953308       2.996773  
1 1 1 2   21 21 o 106.1309 1.435489  112.6673       2.877313  113.7368       4.977986  112.1307       3.525982  0.6644516      2.870977  
1 1 1 2   21 22 o 41.88103 0.6822709 17.31283       0.5675945 19.99626       0.8627415 15.26501       0.7536690 5.644985       1.364542  
1 1 1 2   21 23 o 105.3899 1.173747  111.0110       2.469350  107.1154       3.369510  115.5306       3.629321  -3.977386      2.347494  
1 1 1 2   21 24 o 116.4305 1.280790  135.1808       2.970014  143.3720       4.451676  128.6100       3.987091  6.308197       2.561580  
1 1 1 2   21 25 o 95.19949 1.505491  90.64695       2.859237  95.00336       4.228538  86.97733       3.880933  4.186874       3.010982  
1 1 1 2   21 26 o 48.35280 0.7151088 23.36947       0.6910937 22.53880       0.9566873 24.27601       0.9994206 -1.794628      1.430218  
1 1 1 2   21 27 o 33.61098 0.6827340 11.30912       0.4588407 11.09649       0.6514012 11.51852       0.6464249 -0.6280327     1.365468  
1 1 1 2   21 28 f 19.07215 0.8337905 3.647005       0.3164682 3.595472       0.4698092 3.689811       0.4281879 -0.2497520     1.667581  
1 1 1 2   21 29 o 39.11540 0.7016879 15.16479       0.5461673 13.45385       0.7332441 17.29713       0.8185764 -4.908516      1.403376  
1 1 1 2   21 30 o 53.35327 0.7554724 28.48045       0.8057740 29.21308       1.161111  27.79984       1.119122  1.321899       1.510945  
1 1 1 2   21 31 o 76.42139 0.9293348 58.18109       1.414714  62.25020       2.119561  54.91191       1.899839  4.783867       1.858670  
1 1 1 2   21 32 o 50.48846 0.7532766 25.35707       0.7579018 27.65871       1.131517  23.48420       1.020699  4.126392       1.506553  
1 1 1 2   21 33 f 100.8813 1.141634  102.1419       2.303026  102.8987       3.291054  101.4157       3.223925  0.7271881      2.283267  
1 1 1 2   21 34 o 34.05618 0.9765230 10.62341       0.5704057 13.64208       1.222448  9.783243       0.6449172 5.605951       1.953046  
1 1 1 2   21 35 o 30.41087 1.211542  9.361150       0.7297286 7.924448       1.037595  10.76723       1.026479  -4.675484      2.423083  
1 1 1 2   21 36 o 55.58411 0.7841271 30.89464       0.8707469 29.38858       1.198853  32.57626       1.266799  -2.860893      1.568254  
1 1 1 2   21 37 f 61.96739 0.8286732 38.48495       1.026231  38.82150       1.483369  38.17600       1.421243  0.5140305      1.657346  
1 1 1 2   21 38 o 31.56969 0.7399251 9.893103       0.4642148 10.81207       0.7067312 9.195734       0.6156505 2.550755       1.479850  
1 1 1 2   21 39 o 70.01820 1.317490  49.13432       1.836377  51.75105       2.758784  47.05244       2.460753  3.298546       2.634980  
1 1 1 2   21 40 o 42.62891 0.7382793 17.93679       0.6239256 20.36588       0.9634286 16.18215       0.8188297 4.891277       1.476559  
1 1 1 2   21 41 o 38.16094 0.7368671 14.38373       0.5580251 16.47655       0.8558910 12.83636       0.7359527 4.754845       1.473734  
1 1 1 2   21 42 o 51.88680 0.7850044 27.00222       0.8140293 27.07780       1.174677  26.93240       1.129097  0.1338158      1.570009  
1 1 1 2   21 43 o 15.95697 1.196012  2.618290       0.3734467 3.075336       0.5121779 2.099498       0.5456793 3.064730       2.392023  
1 1 1 2   21 44 o 46.44426 0.9488407 21.71291       0.8780062 22.12947       1.197391  21.22844       1.291296  0.9871826      1.897681  
1 1 1 2   21 45 f 26.83591 0.9893126 7.162460       0.5272554 8.470993       0.7894208 6.108627       0.7084391 4.385405       1.978625  
1 1 1 2   21 46 o 31.91125 0.9740160 10.22838       0.6209106 10.56149       0.9050366 9.932169       0.8534340 0.9748039      1.948032  
1 1 1 2   21 47 o 36.73155 0.9683227 13.56602       0.7111148 13.07857       0.9948581 14.07526       1.016838  -1.351944      1.936645  
1 1 1 2   21 48 o 19.19682 1.183709  3.732977       0.4529227 3.488289       0.6526159 3.960341       0.6290905 -1.236258      2.367419  
1 1 1 2   21 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   21 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   22 0  o 86.40042 0.9912803 74.37896       1.707602  70.92697       2.307178  78.56051       2.539305  -4.412590      1.982561  
1 1 1 2   22 1  o 63.21524 0.8577465 39.88955       1.080416  35.29242       1.491932  44.95890       1.566684  -7.644295      1.715493  
1 1 1 2   22 2  f 104.6563 1.423168  110.1269       2.825609  108.2026       4.811599  111.1397       3.490967  -1.443695      2.846335  
1 1 1 2   22 3  o 75.36646 1.274238  56.84273       1.920373  57.72421       2.746839  55.99997       2.685824  1.142174       2.548476  
1 1 1 2   22 4  o 117.6525 1.825383  138.6939       4.294773  140.1118       6.127602  137.3247       6.021246  1.180099       3.650766  
1 1 1 2   22 5  o 230.7575 2.956191  540.4496       13.07464  553.5394       16.41707  517.7493       21.61944  8.102829       5.912382  
1 1 1 2   22 6  o 108.3392 1.195663  117.2176       2.586252  121.8500       3.795024  113.2006       3.533942  3.984436       2.391326  
1 1 1 2   22 7  o 102.5827 1.141796  104.8905       2.334857  100.2901       3.151773  110.4860       3.475950  -4.960571      2.283591  
1 1 1 2   22 8  o 85.75963 0.9877233 73.21262       1.687854  77.95187       2.522461  69.37040       2.271230  4.996925       1.975447  
1 1 1 2   22 9  o 76.69644 0.9076766 58.84803       1.392018  58.30773       1.945294  59.41503       1.992787  -0.7207184     1.815353  
1 1 1 2   22 10 o 73.00983 0.8765553 52.56155       1.267131  58.75695       1.968742  48.18003       1.655641  7.235672       1.753111  
1 1 1 2   22 11 o 81.39432 0.9465611 66.30036       1.540885  66.58230       2.183395  66.02060       2.174910  0.3447952      1.893122  
1 1 1 2   22 12 o 111.3424 1.227318  123.9966       2.730677  127.4447       3.963011  120.8796       3.767894  2.940483       2.454636  
1 1 1 2   22 13 o 56.21169 0.7490736 31.60952       0.8420691 32.11023       1.198915  31.12203       1.182976  0.8785973      1.498147  
1 1 1 2   22 14 o 52.74600 0.7257722 27.82561       0.7653720 27.47778       1.066090  28.19558       1.099482  -0.6795959     1.451544  
1 1 1 2   22 15 o 25.57526 0.6754855 6.486646       0.3439571 5.788247       0.4630929 7.345994       0.5136898 -3.044201      1.350971  
1 1 1 2   22 16 o 51.90797 0.7239696 26.68680       0.7475705 29.77829       1.130160  24.28186       0.9968017 5.290623       1.447939  
1 1 1 2   22 17 o 40.33644 0.6637556 16.26335       0.5351462 15.84522       0.7411911 16.71868       0.7734622 -1.081795      1.327511  
1 1 1 2   22 18 o 49.40278 0.7036548 24.41832       0.6951801 24.19568       0.9747803 24.64875       0.9917043 -0.4580116     1.407310  
1 1 1 2   22 19 o 84.77322 0.9808642 71.50661       1.655350  67.56424       2.215872  76.48508       2.490083  -5.249153      1.961728  
1 1 1 2   22 20 o 114.2798 1.257718  130.8748       2.874497  130.1813       4.041566  131.5848       4.089157  -0.6111832     2.515435  
1 1 1 2   22 21 o 139.3670 1.633615  192.9655       4.445495  186.0720       5.655327  204.1134       7.191790  -6.343933      3.267230  
1 1 1 2   22 22 o 63.41923 0.9701072 40.63997       1.186077  41.69926       1.501130  38.87980       1.935037  2.245186       1.940214  
1 1 1 2   22 23 o 103.4132 1.616848  107.0588       3.336356  111.9499       4.924428  102.9088       4.536098  4.336525       3.233697  
1 1 1 2   22 24 f 56.66444 1.032707  32.14673       1.169987  32.97968       1.680261  31.36278       1.630101  1.423653       2.065414  
1 1 1 2   22 25 o 17.00423 1.042979  2.895778       0.3539907 2.921729       0.5183122 2.873090       0.4846212 0.1406822      2.085958  
1 1 1 2   22 26 o 46.49141 0.8787284 21.47399       0.8043891 22.60801       1.267069  20.70840       1.041089  2.029041       1.757457  
1 1 1 2   22 27 o 31.58211 0.7478895 9.998202       0.4673054 9.898156       0.7134372 10.07338       0.6184365 -0.2824726     1.495779  
1 1 1 2   22 28 o 74.51059 0.9090593 55.61628       1.354519  55.94513       1.933330  55.29924       1.898309  0.4308777      1.818119  
1 1 1 2   22 29 o 82.39207 0.9751439 68.03640       1.606805  68.34239       2.285590  67.73740       2.259368  0.3649750      1.950288  
1 1 1 2   22 30 f 61.12138 0.8126652 36.94629       0.9853601 41.15185       1.516098  33.87062       1.296539  5.939922       1.625330  
1 1 1 2   22 31 f 89.31186 1.309471  78.90965       2.139772  83.25907       3.967830  77.12601       2.540915  3.246086       2.618941  
1 1 1 2   22 32 o 95.82664 1.599079  92.52707       3.064627  92.68723       4.349144  92.36914       4.319088  0.1608887      3.198157  
1 1 1 2   22 33 o 38.55168 0.9189835 15.40284       0.6704733 16.68410       0.8445724 13.21922       1.102573  4.519657       1.837967  
1 1 1 2   22 34 o 65.44733 0.8466566 42.84254       1.106292  44.48601       1.623409  41.41759       1.511631  2.332802       1.693313  
1 1 1 2   22 35 f 52.22625 0.7627422 27.28960       0.7960469 25.98043       1.101369  28.72163       1.151890  -2.619370      1.525484  
1 1 1 2   22 36 o 71.11290 0.8967617 50.56549       1.273172  48.04139       1.738585  53.48441       1.869624  -3.811104      1.793523  
1 1 1 2   22 37 o 15.76258 1.066841  2.563360       0.3272019 2.013610       0.4831632 3.029053       0.4446937 -3.226686      2.133683  
1 1 1 2   22 38 f 7.030515 1.955671  0.2363989      0.4297302 0.5601236      0.5460910 -0.2900923     0.6964222 1.742534       3.911342  
1 1 1 2   22 39 o 54.58723 0.7928661 29.76411       0.8627003 31.24174       1.284485  28.54983       1.164418  2.450802       1.585732  
1 1 1 2   22 40 o 39.31388 0.7403167 15.31008       0.5782645 17.21186       0.8814203 13.87298       0.7662087 4.231636       1.480633  
1 1 1 2   22 41 o 36.05888 0.7537946 12.91600       0.5409098 14.35901       0.8156642 11.78326       0.7226736 3.559223       1.507589  
1 1 1 2   22 42 o 28.71266 0.8958582 8.426202       0.5052480 9.656044       0.6901416 7.005750       0.7416978 4.623541       1.791716  
1 1 1 2   22 43 o 61.01578 1.121465  37.48936       1.368499  37.83277       1.944127  37.15209       1.926691  0.5539169      2.242930  
1 1 1 2   22 44 o 75.93831 1.300674  58.16786       1.973778  60.10759       2.863654  56.41240       2.724249  2.394966       2.601348  
1 1 1 2   22 45 o 31.70382 0.9830726 10.04346       0.6212224 11.08826       0.9238016 9.180977       0.8393413 2.989592       1.966145  
1 1 1 2   22 46 o 58.44600 1.109630  34.11616       1.290124  37.52886       1.951956  31.46894       1.719158  5.125008       2.219260  
1 1 1 2   22 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   22 48 o 45.39581 1.027753  20.73450       0.9325622 21.48035       1.347058  20.04803       1.292328  1.563858       2.055506  
1 1 1 2   23 0  o 28.17365 0.9797849 7.783068       0.5464031 6.612393       0.7176750 9.397436       0.8427738 -4.939028      1.959570  
1 1 1 2   23 1  f 91.45798 1.279359  83.20533       2.181939  82.24324       2.637326  85.29241       3.884415  -1.620323      2.558718  
1 1 1 2   23 2  o 34.90001 0.6561055 11.81645       0.4509877 9.874071       0.5819155 14.73773       0.7136395 -6.965401      1.312211  
1 1 1 2   23 3  o 102.8496 1.143980  105.8687       2.352570  104.5777       3.283355  107.2308       3.372509  -1.286690      2.287961  
1 1 1 2   23 4  o 64.10151 0.8032008 40.66225       1.022615  44.94225       1.562474  37.45516       1.352530  5.834763       1.606402  
1 1 1 2   23 5  f 106.2262 1.176777  112.8161       2.497158  109.7758       3.432951  116.2325       3.639087  -3.031403      2.353553  
1 1 1 2   23 6  o 125.6446 1.364500  158.1351       3.428819  158.6002       4.859705  157.6741       4.838527  0.3675995      2.729000  
1 1 1 2   23 7  o 117.0001 1.281341  137.0947       2.998203  136.4387       4.216306  137.7656       4.264301  -0.5650330     2.562681  
1 1 1 2   23 8  o 43.11384 0.6742878 18.26497       0.5757630 16.24789       0.7530823 21.10275       0.8932456 -5.627087      1.348576  
1 1 1 2   23 9  o 162.6609 1.734037  265.2960       5.640149  268.3311       8.070508  262.3984       7.885460  1.812637       3.468074  
1 1 1 2   23 10 o 61.60998 0.7848873 37.88574       0.9653488 36.49923       1.317528  39.49284       1.418473  -2.426693      1.569775  
1 1 1 2   23 11 o 64.22484 0.8056021 40.70331       1.025292  37.27813       1.343558  45.47915       1.586499  -6.377258      1.611204  
1 1 1 2   23 12 o 86.46156 0.9946582 74.81054       1.719400  73.75532       2.394228  75.93432       2.470776  -1.257011      1.989316  
1 1 1 2   23 13 f 68.42737 0.8406152 46.86237       1.150406  47.17525       1.631391  46.55290       1.622486  0.4544220      1.681230  
1 1 1 2   23 14 o 68.94701 0.8476567 47.44242       1.166776  49.84991       1.713980  45.36328       1.592814  3.249084       1.695313  
1 1 1 2   23 15 o 45.13121 0.6882533 20.12050       0.6167499 18.26271       0.8146620 22.61497       0.9439916 -4.817719      1.376507  
1 1 1 2   23 16 o 69.25006 0.8494256 47.92501       1.175051  46.51614       1.614695  49.51106       1.713223  -2.158447      1.698851  
1 1 1 2   23 17 o 38.51572 0.6654401 14.71145       0.5101950 16.74324       0.7617596 13.05862       0.6870582 4.780823       1.330880  
1 1 1 2   23 18 o 14.45828 0.9585587 2.109421       0.2686663 1.479148       0.3698715 2.813409       0.3909032 -4.613160      1.917117  
1 1 1 2   23 19 o 50.99531 0.7256646 26.02414       0.7400233 25.90830       1.037662  26.14403       1.055672  -0.2304268     1.451329  
1 1 1 2   23 20 o 109.2543 1.213468  119.2023       2.643977  114.1956       3.579866  125.2112       3.921778  -5.018372      2.426936  
1 1 1 2   23 21 o 31.62588 0.8637905 10.01424       0.5463488 10.01860       0.7755030 10.00995       0.7698359 0.1339531E-01  1.727581  
1 1 1 2   23 22 f 28.89210 0.7123239 8.065355       0.4027357 6.146626       0.5214509 10.90190       0.6340168 -8.224260      1.424648  
1 1 1 2   23 23 o 58.22775 0.7791091 33.94533       0.9073150 33.96885       1.283839  33.92186       1.282436  0.4027557E-01  1.558218  
1 1 1 2   23 24 o 54.37665 0.7557290 29.56087       0.8212559 30.66772       1.190058  28.55445       1.134776  1.940254       1.511458  
1 1 1 2   23 25 o 67.89084 0.8534282 46.16158       1.158789  46.35890       1.643076  45.96630       1.634506  0.2885971      1.706856  
1 1 1 2   23 26 o 18.74071 0.8687100 3.523168       0.3250539 3.303120       0.4613066 3.740167       0.4581013 -1.166262      1.737420  
1 1 1 2   23 27 o 119.1081 1.602581  142.7681       3.614775  142.7949       4.448487  142.7159       6.201980  0.2721634      3.205162  
1 1 1 2   23 28 o 31.32949 1.093324  9.786236       0.6346179 10.00638       1.142516  9.688004       0.7631786 0.4698849      2.186648  
1 1 1 2   23 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   23 30 o 59.50270 1.549240  35.53262       1.843679  35.53262       1.843679  ?              ?         ?              ?         
1 1 1 2   23 31 f 82.99384 1.359747  69.14391       2.253744  71.77965       3.296750  66.83137       3.088029  2.949318       2.719495  
1 1 1 2   23 32 f 34.58213 0.8347847 11.88957       0.5609711 12.39452       0.9167866 11.58736       0.7092425 1.146374       1.669569  
1 1 1 2   23 33 o 83.03320 1.000942  69.15130       1.661208  70.38914       2.399541  68.01194       2.302094  1.418983       2.001885  
1 1 1 2   23 34 o 22.25531 0.8405365 4.997746       0.3716305 4.432829       0.5335799 5.529949       0.5179006 -2.466616      1.681073  
1 1 1 2   23 35 o 51.20689 0.7649490 26.27979       0.7828645 26.32760       1.128931  26.23550       1.086560  0.8544922E-01  1.529898  
1 1 1 2   23 36 o 54.96645 0.7905390 30.28038       0.8683518 30.54535       1.256073  30.03781       1.201795  0.4554253      1.581078  
1 1 1 2   23 37 o 30.99100 0.7655711 9.642488       0.4735308 9.374428       0.6864435 9.885863       0.6540757 -0.8288746     1.531142  
1 1 1 2   23 38 o 54.47953 0.7918858 29.45283       0.8567661 32.40451       1.309795  27.24535       1.132706  4.711327       1.583772  
1 1 1 2   23 39 o 92.81717 1.090260  86.66026       2.023733  86.68803       2.880534  86.63320       2.843801  0.2248383E-01  2.180520  
1 1 1 2   23 40 o 49.63352 0.8182660 24.57049       0.8094102 27.60272       1.194035  21.99248       1.100977  5.638088       1.636532  
1 1 1 2   23 41 o 48.87675 0.9560049 24.05096       0.9314559 26.38377       1.320806  21.74291       1.313777  4.746235       1.912010  
1 1 1 2   23 42 o 68.00818 1.203065  46.42415       1.631501  49.24386       2.423918  44.08859       2.206025  3.737694       2.406130  
1 1 1 2   23 43 o 50.59552 1.036332  25.57761       1.044340  27.99099       1.566061  23.64491       1.401450  4.256981       2.072665  
1 1 1 2   23 44 o 29.50524 1.024622  8.672107       0.5982783 7.062877       0.8062090 10.64448       0.8925501 -6.049990      2.049243  
1 1 1 2   23 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   23 46 o 11.54633 1.749038  1.413482       0.4023899 0.9303324      0.5706180 1.891409       0.5675250 -4.203779      3.498075  
1 1 1 2   23 47 o 37.56808 1.435784  0.000000       0.000000  ?              ?         14.21573       1.078793  ?              ?         
1 1 1 2   24 0  o 162.2918 1.731262  264.2132       5.619384  264.0800       7.939943  264.3468       7.954094  -0.8126831E-01 3.462523  
1 1 1 2   24 1  o 148.8010 1.595782  221.8591       4.746438  226.4074       6.851375  217.6618       6.581697  2.922638       3.191564  
1 1 1 2   24 2  o 83.90311 0.9716034 70.44289       1.630010  71.58167       2.337023  69.36411       2.274607  1.319199       1.943207  
1 1 1 2   24 3  o 213.7756 2.257207  459.0353       9.641564  470.7718       14.00501  448.4615       13.29328  5.156006       4.514415  
1 1 1 2   24 4  o 138.6151 1.493844  192.5715       4.140409  190.3558       5.780902  194.9053       5.932902  -1.632034      2.987688  
1 1 1 2   24 5  o 53.72144 0.7305916 28.62162       0.7812775 31.68537       1.175935  26.20055       1.045345  5.100948       1.461183  
1 1 1 2   24 6  o 57.25592 0.7563688 32.80368       0.8660446 32.71902       1.215461  32.89098       1.234300  -0.1495552     1.512738  
1 1 1 2   24 7  f 126.8265 1.378150  161.1565       3.494537  163.8059       5.021521  158.6685       4.866181  2.016037       2.756300  
1 1 1 2   24 8  o 63.97482 0.8048134 40.69314       1.025692  43.97668       1.536345  38.05278       1.377685  4.624184       1.609627  
1 1 1 2   24 9  o 103.1414 1.149949  106.1042       2.364502  112.0495       3.518970  101.2104       3.192623  5.237526       2.299899  
1 1 1 2   24 10 o 47.40037 0.6982237 22.05800       0.6547270 19.69474       0.8526282 25.45401       1.022087  -6.069717      1.396447  
1 1 1 2   24 11 o 47.05679 0.6951566 22.15353       0.6540787 21.98411       0.9135726 22.33171       0.9368815 -0.3685799     1.390313  
1 1 1 2   24 12 f 84.14873 0.9755900 70.33392       1.632155  66.00658       2.169848  75.97282       2.476948  -5.907364      1.951180  
1 1 1 2   24 13 f 77.39972 0.9169887 59.87819       1.417731  58.07948       1.947098  61.90788       2.068339  -2.467583      1.833977  
1 1 1 2   24 14 o 110.1908 1.218867  121.4482       2.682174  125.8529       3.924485  117.5873       3.674205  3.734756       2.437735  
1 1 1 2   24 15 o 142.0745 1.533076  202.5606       4.356086  203.6128       6.190089  201.5283       6.131206  0.7287445      3.066153  
1 1 1 2   24 16 o 38.48478 0.6789811 14.72065       0.5205724 13.70678       0.6994714 15.97945       0.7793983 -2.949722      1.357962  
1 1 1 2   24 17 o 137.7367 1.491831  189.5015       4.094037  180.8448       5.509392  200.1765       6.118000  -6.966461      2.983661  
1 1 1 2   24 18 o 95.59706 1.086289  91.37119       2.073645  94.98245       3.037881  88.22058       2.837514  3.523636       2.172579  
1 1 1 2   24 19 f 41.67247 0.9073086 17.23685       0.7525745 15.79452       1.006328  19.06709       1.133606  -3.919014      1.814617  
1 1 1 2   24 20 o 86.54256 1.005315  75.04573       1.740050  75.15823       2.461564  74.93335       2.460042  0.1298141      2.010631  
1 1 1 2   24 21 o 44.12037 0.7081454 19.23284       0.6207091 17.20889       0.8229701 21.90334       0.9453243 -5.313980      1.416291  
1 1 1 2   24 22 f 88.66211 1.025437  78.73450       1.817597  80.30492       2.616592  77.27012       2.526705  1.704720       2.050875  
1 1 1 2   24 23 o 101.8020 1.147432  103.7927       2.333636  100.8877       3.210276  107.0478       3.398262  -3.008301      2.294863  
1 1 1 2   24 24 o 60.44397 0.8019153 36.29088       0.9644684 39.54344       1.456780  33.75270       1.286892  4.778690       1.603831  
1 1 1 2   24 25 o 41.16330 0.7857721 17.15634       0.6384728 15.55816       0.9558126 18.44405       0.8579656 -3.512234      1.571544  
1 1 1 2   24 26 o 61.49561 1.218047  37.77135       1.493241  40.45506       2.223963  35.56829       2.014991  3.948380       2.436093  
1 1 1 2   24 27 o 28.71388 1.117335  8.217126       0.6090692 8.093609       0.7486464 8.458914       1.047446  -0.6017342     2.234670  
1 1 1 2   24 28 o 109.2350 1.224331  119.8519       2.674573  120.6571       3.811688  119.0709       3.753812  0.7185135      2.448662  
1 1 1 2   24 29 o 36.85619 0.7196733 13.58285       0.5300274 14.24132       0.7686427 12.98590       0.7318537 1.700119       1.439347  
1 1 1 2   24 30 o 63.61214 0.8340327 40.34296       1.057525  43.19377       1.576622  38.01133       1.425851  4.058296       1.668065  
1 1 1 2   24 31 o 20.09818 0.8863219 4.054839       0.3556772 3.974396       0.5151108 4.128139       0.4917118 -0.3851433     1.772644  
1 1 1 2   24 32 o 60.39094 0.8258786 36.47823       0.9960319 38.14455       1.458010  35.02008       1.363899  2.576382       1.651757  
1 1 1 2   24 33 o 22.71413 0.9574351 5.243751       0.4293915 5.883259       0.5887253 4.516897       0.6276438 3.012819       1.914870  
1 1 1 2   24 34 o 82.29169 1.192604  68.63283       1.900995  70.29006       2.421741  65.97236       3.068428  2.734467       2.385209  
1 1 1 2   24 35 o 55.17260 1.327405  29.98413       1.341469  32.36849       2.494904  29.01447       1.591027  2.863094       2.654810  
1 1 1 2   24 36 o 53.81235 1.043063  29.09821       1.122467  28.66691       1.573282  29.54536       1.601922  -0.8112984     2.086125  
1 1 1 2   24 37 o 41.39008 0.9579524 17.02037       0.7882438 19.02022       1.197109  15.48963       1.047334  4.239780       1.915905  
1 1 1 2   24 38 o 14.12494 1.326286  1.991824       0.3696805 2.137079       0.5795897 1.892200       0.4799948 0.8434544      2.652573  
1 1 1 2   24 39 o 18.78068 1.095485  3.380274       0.4008774 4.674509       0.6482113 2.578706       0.5101292 5.551619       2.190969  
1 1 1 2   24 40 o 24.90514 0.9842964 6.233388       0.4897790 6.633843       0.7009079 5.851261       0.6846812 1.567951       1.968593  
1 1 1 2   24 41 o 36.29532 0.9575847 13.13643       0.6921479 14.53044       1.038065  12.02062       0.9287265 3.435356       1.915169  
1 1 1 2   24 42 o 57.85802 1.555411  0.000000       0.000000  ?              ?         33.72913       1.799860  ?              ?         
1 1 1 2   24 43 o 10.22177 3.574473  0.9858951      0.9028221 0.9858951      0.9028221 ?              ?         ?              ?         
1 1 1 2   24 44 o 64.76905 1.174943  42.29911       1.520882  43.83015       2.202995  40.90491       2.102244  2.228977       2.349886  
1 1 1 2   24 45 o 16.35590 1.339669  2.684386       0.4336343 3.285977       0.6441897 2.185922       0.5863815 3.344049       2.679337  
1 1 1 2   24 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   25 0  o 114.2886 1.257380  130.5784       2.868779  135.8523       4.214530  126.0253       3.916027  4.281609       2.514759  
1 1 1 2   25 1  o 118.6106 1.299446  140.7694       3.078434  136.7999       4.224274  145.2651       4.495499  -3.551895      2.598891  
1 1 1 2   25 2  o 119.2880 1.306888  142.4125       3.114445  146.8544       4.535805  138.4501       4.283957  3.507103       2.613775  
1 1 1 2   25 3  o 70.07484 0.8549044 49.14526       1.198049  49.85172       1.707092  48.45960       1.681785  0.9922791      1.709809  
1 1 1 2   25 4  o 54.72640 0.7426546 29.60296       0.8072226 33.21331       1.233383  26.89772       1.067641  5.764206       1.485309  
1 1 1 2   25 5  o 38.59504 0.6633213 14.84914       0.5108039 14.13071       0.6937837 15.69960       0.7548445 -2.030521      1.326643  
1 1 1 2   25 6  o 59.79403 0.7787618 35.43225       0.9252768 32.85740       1.226361  38.83506       1.409813  -4.991432      1.557524  
1 1 1 2   25 7  o 41.61877 0.6740652 17.23519       0.5594935 18.82070       0.8284494 15.90563       0.7586382 3.499714       1.348130  
1 1 1 2   25 8  o 13.30302 1.134875  1.812925       0.2746420 1.064631       0.3715496 2.714260       0.4077782 -6.325480      2.269750  
1 1 1 2   25 9  o 104.7474 1.168188  109.8148       2.445217  112.9660       3.547902  106.9637       3.374714  2.854416       2.336375  
1 1 1 2   25 10 o 32.14137 0.6612002 10.30264       0.4242070 11.22622       0.6191487 9.485503       0.5823770 2.706593       1.322400  
1 1 1 2   25 11 o 97.89133 1.103779  95.66085       2.155028  91.62966       2.919449  100.4872       3.194419  -4.507607      2.207557  
1 1 1 2   25 12 o 65.83245 0.8247400 43.38269       1.085790  43.19529       1.523676  43.57605       1.547683  -0.2880859     1.649480  
1 1 1 2   25 13 o 56.59964 0.7628767 32.03697       0.8629587 31.35129       1.193648  32.78777       1.249052  -1.266556      1.525753  
1 1 1 2   25 14 o 120.6640 1.322886  145.7458       3.187360  141.2530       4.361517  150.8953       4.669435  -3.970863      2.645771  
1 1 1 2   25 15 o 7.856538 1.539886  0.6369687      0.2557215 0.8029726      0.3578236 0.4636794      0.3655914 1.823590       3.079772  
1 1 1 2   25 16 o 77.81755 1.285714  60.69079       1.999369  59.34269       2.761002  62.17716       2.899121  -1.808937      2.571428  
1 1 1 2   25 17 o 28.08699 0.7137059 7.853003       0.3978194 9.337923       0.5850801 6.576214       0.5425295 4.914228       1.427412  
1 1 1 2   25 18 o 41.92401 0.6997995 17.59182       0.5865960 17.53140       0.8190597 17.65544       0.8404999 -0.1468849     1.399599  
1 1 1 2   25 19 o 93.90236 1.073002  88.29002       2.013427  90.74284       2.921450  86.07098       2.778739  2.476143       2.146004  
1 1 1 2   25 20 o 28.07671 0.7093252 7.886752       0.3981760 7.661989       0.5547720 8.125547       0.5718271 -0.8245449     1.418650  
1 1 1 2   25 21 f 22.40427 0.7700458 5.009639       0.3443089 4.584684       0.4729457 5.488839       0.5022249 -2.015921      1.540092  
1 1 1 2   25 22 o 72.38715 1.126280  51.51969       1.486426  55.10830       2.782470  50.08659       1.758354  3.367775       2.252561  
1 1 1 2   25 23 f 29.51217 1.236160  8.740683       0.7290606 8.624390       1.008436  8.868024       1.055251  -0.4072208     2.472319  
1 1 1 2   25 24 o 18.80554 1.264105  2.961896       0.4129461 2.455103       0.4649444 4.855060       0.8986270 -6.323785      2.528210  
1 1 1 2   25 25 o 86.69199 1.016742  75.08166       1.757798  79.28104       2.608874  71.59022       2.378825  4.411087       2.033483  
1 1 1 2   25 26 o 81.55298 0.9753013 66.36764       1.585239  62.87106       2.136113  70.65391       2.365061  -4.747101      1.950603  
1 1 1 2   25 27 o 26.45649 0.7686725 6.978222       0.4055492 7.751748       0.5960261 6.311360       0.5534085 2.718370       1.537345  
1 1 1 2   25 28 o 85.98377 1.016723  74.18713       1.748269  73.38062       2.451895  75.02125       2.493482  -0.9488220     2.033447  
1 1 1 2   25 29 o 14.51014 1.111683  2.138783       0.3187853 1.905337       0.4713773 2.335543       0.4327556 -1.487993      2.223365  
1 1 1 2   25 30 o 36.87360 0.7316416 13.61797       0.5394123 13.89692       0.7742090 13.35482       0.7519656 0.7328796      1.463283  
1 1 1 2   25 31 o 69.31184 0.8878434 48.15955       1.230317  47.05682       1.712039  49.33720       1.769232  -1.637955      1.775687  
1 1 1 2   25 32 o 25.25500 0.8121082 6.387807       0.4092986 6.999129       0.5895527 5.819001       0.5686827 2.333958       1.624216  
1 1 1 2   25 33 o 31.26010 0.7619964 9.708312       0.4742256 10.99111       0.7089339 8.669459       0.6379767 3.705364       1.523993  
1 1 1 2   25 34 o 45.77715 1.173111  20.65814       1.059287  23.69575       1.675634  18.63610       1.367124  5.466877       2.346222  
1 1 1 2   25 35 o 12.82091 1.356644  1.751063       0.3245692 1.303417       0.4859561 2.111571       0.4361007 -3.339359      2.713288  
1 1 1 2   25 36 o 83.85657 1.013454  70.19650       1.690736  75.24561       2.554234  66.25891       2.255633  5.304886       2.026909  
1 1 1 2   25 37 o 52.11339 0.8333753 27.22673       0.8659973 26.88929       1.176636  27.62556       1.279193  -0.6907005     1.666751  
1 1 1 2   25 38 o 18.74005 1.059983  3.458111       0.3849541 4.873953       0.5898336 2.407543       0.5080826 6.563878       2.119967  
1 1 1 2   25 39 o 60.17736 1.115139  36.47236       1.342089  36.63505       1.906172  36.31244       1.889933  0.2643509      2.230278  
1 1 1 2   25 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   25 41 o 44.58118 1.413213  20.00008       1.260054  20.00008       1.260054  ?              ?         ?              ?         
1 1 1 2   25 42 o 22.77115 1.082846  5.178489       0.4903600 6.014733       0.7305105 4.492669       0.6615535 3.324371       2.165692  
1 1 1 2   25 43 o 26.67967 1.024793  7.176828       0.5449932 6.441662       0.7638102 7.939280       0.7778552 -2.803059      2.049587  
1 1 1 2   25 44 o 17.43670 1.776648  0.000000       0.000000  ?              ?         3.074023       0.6195776 ?              ?         
1 1 1 2   26 0  o 59.07384 0.7724887 34.76223       0.9097745 32.93742       1.228294  36.98006       1.354120  -3.416355      1.544977  
1 1 1 2   26 1  o 100.7878 1.131656  101.1638       2.270844  108.1096       3.413529  95.64949       3.041489  6.158211       2.263311  
1 1 1 2   26 2  o 82.77504 0.9653506 68.55238       1.596938  67.05586       2.207521  70.19531       2.312993  -1.890755      1.930701  
1 1 1 2   26 3  o 27.65136 0.6854803 7.592029       0.3775500 6.799592       0.5098832 8.553883       0.5617499 -3.170191      1.370961  
1 1 1 2   26 4  o 52.89908 0.7327036 28.00465       0.7750896 27.87302       1.086482  28.14106       1.106065  -0.2525444     1.465407  
1 1 1 2   26 5  f 25.44627 0.7043707 6.393650       0.3558994 5.509693       0.4745915 7.529521       0.5379834 -3.966286      1.408741  
1 1 1 2   26 6  o 106.2369 1.183370  112.8510       2.509814  117.4298       3.685744  108.8922       3.427171  4.000504       2.366740  
1 1 1 2   26 7  f 146.4957 1.578041  215.2464       4.618890  210.0976       6.363678  220.9786       6.714637  -3.681030      3.156081  
1 1 1 2   26 8  o 111.6383 1.235326  124.8692       2.756591  122.4533       3.820824  127.4919       3.980919  -2.244576      2.470652  
1 1 1 2   26 9  o 83.84231 0.9801360 70.41692       1.643534  70.57941       2.326852  70.25511       2.321773  0.1930847      1.960272  
1 1 1 2   26 10 o 135.8860 1.474205  185.4090       4.006473  185.3526       5.662091  185.4655       5.669932  -0.4075623E-01 2.948410  
1 1 1 2   26 11 f 50.46764 0.7257066 25.47733       0.7320511 24.98549       1.014309  26.01205       1.057601  -1.014874      1.451413  
1 1 1 2   26 12 f 54.07973 0.7492198 29.08321       0.8074675 31.72153       1.205148  26.93398       1.087722  4.420200       1.498440  
1 1 1 2   26 13 o 55.62366 1.032797  30.96960       1.148293  32.17032       1.657615  29.86175       1.592220  2.070442       2.065594  
1 1 1 2   26 14 o 14.03076 1.191906  2.125594       0.2882144 3.312222       0.4146962 1.016883       0.4008499 8.313677       2.383811  
1 1 1 2   26 15 o 64.37950 0.8210141 41.49252       1.056926  42.24412       1.512947  40.77607       1.477135  1.137932       1.642028  
1 1 1 2   26 16 o 51.35277 0.7419474 26.39103       0.7618297 27.03077       1.092098  25.78463       1.063261  1.211601       1.483895  
1 1 1 2   26 17 o 41.72539 0.6981368 17.32016       0.5805537 16.13377       0.7820506 18.77654       0.8664793 -3.161942      1.396274  
1 1 1 2   26 18 o 62.26862 0.8122205 38.78361       1.010763  40.23389       1.464298  37.46367       1.396949  2.219673       1.624441  
1 1 1 2   26 19 o 38.22612 1.102048  14.54381       0.8392106 13.11216       1.132056  16.29041       1.250395  -4.145256      2.204096  
1 1 1 2   26 20 f 50.39698 1.125276  25.46494       1.133693  24.68053       1.575186  26.30792       1.632942  -1.608200      2.250551  
1 1 1 2   26 21 o 48.08879 0.9510794 21.62921       0.7963579 20.18415       0.9089832 26.40071       1.651736  -6.391304      1.902159  
1 1 1 2   26 22 f 26.76870 0.7470722 7.157015       0.3988819 7.942459       0.5798169 6.451294       0.5496034 2.782904       1.494144  
1 1 1 2   26 23 o 66.03479 0.8468078 43.65988       1.117748  44.97668       1.614155  42.44675       1.549307  1.909607       1.693616  
1 1 1 2   26 24 o 16.67641 0.9606116 2.770908       0.3165052 3.428014       0.4678338 2.216318       0.4297936 3.628794       1.921223  
1 1 1 2   26 25 o 23.66760 0.8003185 5.586039       0.3768513 6.453902       0.5527368 4.832214       0.5151433 3.422335       1.600637  
1 1 1 2   26 26 o 27.48433 0.7499942 7.476168       0.4092589 8.857802       0.6155955 6.381828       0.5478660 4.497856       1.499988  
1 1 1 2   26 27 o 14.71676 1.100776  2.155438       0.3165782 2.866193       0.4732646 1.579853       0.4258917 4.363474       2.201552  
1 1 1 2   26 28 f 49.84743 0.7607791 24.72635       0.7556798 22.75456       1.017784  27.14872       1.128093  -4.396160      1.521558  
1 1 1 2   26 29 o 36.56831 0.7362374 13.39845       0.5383911 13.12226       0.7552940 13.68375       0.7676563 -0.7664413     1.472475  
1 1 1 2   26 30 o 75.19291 0.9335030 56.73677       1.403741  56.23517       1.969874  57.25428       2.000868  -0.6734314     1.867006  
1 1 1 2   26 31 o 44.47948 0.7648644 19.74735       0.6789002 21.50610       0.9974808 18.22952       0.9266472 3.675007       1.529729  
1 1 1 2   26 32 o 78.38708 1.440384  62.01619       2.257241  63.08001       3.248073  61.02252       3.139155  1.286217       2.880769  
1 1 1 2   26 33 o 30.81181 0.7923982 9.477208       0.4861151 8.292774       0.6647456 10.83869       0.7126978 -4.124731      1.584796  
1 1 1 2   26 34 o 48.09599 0.7801962 23.19469       0.7502313 23.49185       1.077672  22.91524       1.045054  0.5949440      1.560392  
1 1 1 2   26 35 o 31.88800 0.7643794 9.961004       0.4817544 12.05025       0.7513863 8.502667       0.6277649 5.545204       1.528759  
1 1 1 2   26 36 o 6.313273 1.662044  0.1973420      0.3182403 -0.2704264     0.4681128 0.5993198      0.4339463 -2.877419      3.324088  
1 1 1 2   26 37 o 24.21919 0.9741459 5.880621       0.4690489 6.824161       0.6829410 5.038153       0.6453266 3.679787       1.948292  
1 1 1 2   26 38 o 35.89026 2.646709  13.16623       1.899822  13.16623       1.899822  ?              ?         ?              ?         
1 1 1 2   26 39 o 22.45332 1.083381  5.018692       0.4827341 5.990302       0.7241672 4.241659       0.6476085 3.875656       2.166762  
1 1 1 2   26 40 o 52.38251 1.055525  27.59514       1.104888  28.87273       1.602127  26.43644       1.525763  2.306660       2.111050  
1 1 1 2   26 41 o 8.968126 1.911159  0.8163863      0.3978571 0.3766291      0.5831996 1.199209       0.5441388 -3.297410      3.822318  
1 1 1 2   26 42 o 61.53523 1.141930  38.20317       1.405308  37.84335       1.975461  38.57184       1.999569  -0.5852127     2.283859  
1 1 1 2   27 0  o 38.86197 0.9376351 15.11161       0.7282911 15.87106       1.048820  14.40444       1.012080  1.884541       1.875270  
1 1 1 2   27 1  o 79.21677 1.315812  62.79652       2.080442  60.42313       2.834776  65.56712       3.062817  -3.225716      2.631623  
1 1 1 2   27 2  o 100.2076 1.395177  98.32104       2.564868  107.0271       4.767861  94.77559       3.042631  5.946030       2.790354  
1 1 1 2   27 3  o 127.9206 1.509354  164.1415       3.813956  165.8769       5.886855  162.8861       5.006866  1.075958       3.018709  
1 1 1 2   27 4  f 98.23439 1.111605  96.07486       2.172276  90.74049       2.897094  102.9255       3.283114  -6.171883      2.223210  
1 1 1 2   27 5  o 59.27946 0.7807444 35.14979       0.9251621 36.23299       1.334846  34.14844       1.283422  1.755432       1.561489  
1 1 1 2   27 6  o 65.15459 0.8277979 42.34475       1.075780  40.39786       1.457639  44.67379       1.594293  -3.273430      1.655596  
1 1 1 2   27 7  f 114.4638 1.265470  131.1266       2.891691  136.4001       4.247732  126.5718       3.947671  4.266296       2.530939  
1 1 1 2   27 8  o 53.40093 0.7461894 28.39909       0.7944089 26.73403       1.072392  30.42396       1.182605  -3.448967      1.492379  
1 1 1 2   27 9  o 101.3582 1.472376  102.7698       2.916364  105.2514       4.674053  101.1877       3.731914  1.900703       2.944753  
1 1 1 2   27 10 o 67.76128 1.174853  46.03589       1.591602  45.33796       2.214992  46.78094       2.288539  -1.057968      2.349705  
1 1 1 2   27 11 f 27.56510 0.7137230 7.534771       0.3914504 6.631740       0.5266438 8.649613       0.5851567 -3.656809      1.427446  
1 1 1 2   27 12 o 62.11648 0.8069930 38.63220       1.002384  39.28495       1.433657  38.00791       1.402042  1.025818       1.613986  
1 1 1 2   27 13 f 71.15206 0.8799093 50.14337       1.242379  46.36223       1.637253  55.27593       1.907531  -6.243484      1.759819  
1 1 1 2   27 14 o 103.5051 1.164381  107.4932       2.410335  108.0173       3.422550  106.9776       3.395072  0.4993973      2.328763  
1 1 1 2   27 15 o 93.58423 1.321010  89.23511       2.371182  83.36798       3.887003  92.71255       2.992482  -5.100578      2.642021  
1 1 1 2   27 16 o 81.46748 1.402446  66.36990       2.275695  70.60788       3.410233  62.96764       3.055540  4.640205       2.804892  
1 1 1 2   27 17 f 30.93374 0.9971502 9.373325       0.5937982 8.821935       0.7356158 10.40454       1.005993  -2.530348      1.994300  
1 1 1 2   27 18 o 46.43189 0.7296737 21.27364       0.6725542 24.64292       1.027142  18.74495       0.8898364 6.340706       1.459347  
1 1 1 2   27 19 o 61.74660 0.8178124 38.10331       1.008515  40.15612       1.474692  36.29967       1.382297  3.114723       1.635625  
1 1 1 2   27 20 o 31.47220 0.7115428 9.905522       0.4473331 10.61981       0.6455156 9.245574       0.6204762 2.181273       1.423086  
1 1 1 2   27 21 o 105.7865 1.193640  112.3440       2.523864  110.0148       3.495954  114.8794       3.647427  -2.278160      2.387280  
1 1 1 2   27 22 o 42.54142 0.7239668 17.95218       0.6129099 20.39086       0.9195615 16.00275       0.8221642 5.148861       1.447934  
1 1 1 2   27 23 o 28.56395 0.7398386 8.144034       0.4217645 7.698103       0.5741902 8.666562       0.6215510 -1.690763      1.479677  
1 1 1 2   27 24 o 46.02753 0.7311902 21.21851       0.6729453 20.72771       0.9400340 21.73443       0.9637873 -1.091293      1.462380  
1 1 1 2   27 25 o 31.48657 0.7406589 9.929612       0.4662629 10.28573       0.6674944 9.590263       0.6515840 1.102787       1.481318  
1 1 1 2   27 26 o 19.20693 0.8965214 3.685091       0.3434092 3.903953       0.5096321 3.503064       0.4647701 1.037981       1.793043  
1 1 1 2   27 27 o 46.28098 0.7523687 21.23992       0.6925104 19.25477       0.9223948 23.80435       1.048371  -4.901360      1.504737  
1 1 1 2   27 28 o 24.74050 0.8043556 6.137758       0.3979827 6.077552       0.5635246 6.197670       0.5621432 -0.2429199     1.608711  
1 1 1 2   27 29 o 47.95810 0.7682700 22.88318       0.7340505 20.72773       0.9897755 25.51784       1.094282  -4.981339      1.536540  
1 1 1 2   27 30 o 38.07306 1.125092  14.43679       0.8306147 15.18060       1.367187  14.00163       1.045729  1.486401       2.250184  
1 1 1 2   27 31 o 13.72453 1.224948  1.882337       0.3348418 2.083658       0.5015693 1.720477       0.4497353 1.311920       2.449896  
1 1 1 2   27 32 o 33.85340 0.7702105 11.48696       0.5213082 11.82043       0.7488848 11.17346       0.7261240 0.9524345      1.540421  
1 1 1 2   27 33 o 84.88330 1.028405  72.40968       1.745107  73.83297       2.513848  71.08577       2.424486  1.601120       2.056809  
1 1 1 2   27 34 o 19.81559 1.007976  3.986056       0.3927380 3.132648       0.5523881 4.858431       0.5584928 -4.353413      2.015953  
1 1 1 2   27 35 o 23.85899 1.730967  5.816868       0.8201326 6.595370       1.159234  5.036730       1.160452  3.266783       3.461935  
1 1 1 2   27 36 o 35.13236 1.124309  12.39214       0.7899925 12.39214       0.7899925 ?              ?         ?              ?         
1 1 1 2   27 37 o 37.53300 0.9677660 14.16126       0.7260594 14.41100       1.047730  13.93053       1.007082  0.6313705      1.935532  
1 1 1 2   27 38 o 45.53310 1.001736  20.85040       0.9117773 20.28115       1.264991  21.46589       1.315380  -1.289238      2.003472  
1 1 1 2   27 39 o 49.45200 1.031413  24.63665       1.020045  24.99233       1.451150  24.28927       1.434124  0.7064552      2.062825  
1 1 1 2   27 40 o 89.32681 1.477245  80.90284       2.636599  79.00901       3.634348  83.00697       3.830834  -2.166954      2.954490  
1 1 1 2   27 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   28 0  o 55.70821 0.7670659 30.97564       0.8530990 32.80325       1.253165  29.39715       1.164623  3.051464       1.534132  
1 1 1 2   28 1  o 131.1292 1.431034  172.7672       3.752865  173.7558       5.335637  171.7993       5.279512  0.7393341      2.862068  
1 1 1 2   28 2  o 23.50784 0.7637522 5.519342       0.3585412 5.276039       0.4908303 5.797701       0.5250003 -1.107372      1.527504  
1 1 1 2   28 3  o 103.2910 1.162217  106.9630       2.399871  109.2868       3.457180  104.8018       3.334029  2.159042       2.324435  
1 1 1 2   28 4  o 46.87353 0.8712825 21.44211       0.7672270 20.42912       0.9264539 23.65317       1.368748  -3.406696      1.742565  
1 1 1 2   28 5  o 11.94182 1.599923  1.519736       0.3670242 2.192088       0.5195411 0.8499176      0.5185614 5.672586       3.199847  
1 1 1 2   28 6  o 33.34721 0.9224862 11.14840       0.6148336 11.62275       0.8697108 10.67449       0.8693013 1.421761       1.844972  
1 1 1 2   28 7  o 25.36467 0.9536871 6.434903       0.4828623 6.246257       0.6589928 6.653603       0.7095470 -0.7987118     1.907374  
1 1 1 2   28 8  o 82.76910 1.187095  68.43850       1.854090  69.70934       3.219905  67.80811       2.267791  1.047279       2.374190  
1 1 1 2   28 9  o 68.21749 0.8565549 46.56798       1.167627  45.28672       1.610935  47.98612       1.694804  -1.971802      1.713110  
1 1 1 2   28 10 o 40.31612 0.7023486 16.06736       0.5626692 18.55077       0.8524139 14.14977       0.7490398 5.451065       1.404697  
1 1 1 2   28 11 f 52.31988 0.9487055 27.16864       0.9219587 28.18408       1.657936  26.71405       1.109292  1.353218       1.897411  
1 1 1 2   28 12 o 20.76513 1.429795  4.308290       0.5601702 2.592563       0.7461173 6.524751       0.8480335 -9.453955      2.859590  
1 1 1 2   28 13 o 18.04890 1.298035  3.391733       0.4424754 3.690919       0.5572230 2.881101       0.7279674 2.265890       2.596069  
1 1 1 2   28 14 o 49.30137 0.7336325 24.16160       0.7200177 22.51738       0.9631180 26.24486       1.084103  -3.770908      1.467265  
1 1 1 2   28 15 o 57.77466 0.7877367 33.30044       0.9080600 35.54778       1.341877  31.40190       1.233357  3.578690       1.575473  
1 1 1 2   28 16 o 54.46564 0.7702239 29.45007       0.8350365 32.73114       1.256706  26.85621       1.117375  5.381176       1.540448  
1 1 1 2   28 17 o 77.34311 0.9380626 59.77697       1.447563  63.03353       2.139621  57.02821       1.965740  3.863243       1.876125  
1 1 1 2   28 18 o 103.3260 1.170795  107.2470       2.419221  108.3434       3.451694  106.1884       3.391685  1.034279       2.341589  
1 1 1 2   28 19 o 45.17477 0.7342018 20.17876       0.6589617 23.12568       1.001982  17.93273       0.8747476 5.735863       1.468404  
1 1 1 2   28 20 o 40.50107 0.7226138 16.43030       0.5851968 16.93689       0.8347876 15.94081       0.8205819 1.228348       1.445228  
1 1 1 2   28 21 o 67.02206 0.8636485 44.85028       1.154502  47.67761       1.711936  42.49181       1.563559  3.851448       1.727297  
1 1 1 2   28 22 o 20.24868 0.8636090 4.111729       0.3495321 3.924517       0.4912917 4.303618       0.4973908 -0.9353962     1.727218  
1 1 1 2   28 23 o 54.15726 0.7789428 29.37564       0.8433452 30.36958       1.213732  28.44782       1.172668  1.769741       1.557886  
1 1 1 2   28 24 o 67.51396 0.8709874 45.72021       1.176018  46.08117       1.673316  45.36790       1.653149  0.5256729      1.741975  
1 1 1 2   28 25 o 77.87122 0.9542922 60.86322       1.486135  60.38157       2.086822  61.35888       2.116926  -0.6232834     1.908584  
1 1 1 2   28 26 o 68.26633 0.8826117 46.51477       1.200895  49.69644       1.791523  43.91865       1.618301  4.207993       1.765223  
1 1 1 2   28 27 o 10.88695 1.475854  1.208674       0.3139597 1.458762       0.4652522 0.9995669      0.4254279 2.274943       2.951709  
1 1 1 2   28 28 o 18.69146 1.946789  3.597771       0.7015533 4.397277       1.023901  2.890289       0.9631740 4.244711       3.893577  
1 1 1 2   28 29 o 30.32634 0.7806404 9.208643       0.4730602 9.654742       0.6862572 8.804736       0.6529976 1.396849       1.561281  
1 1 1 2   28 30 o 39.55406 0.7578397 15.59782       0.5974442 13.98433       0.8126222 17.49593       0.8813882 -4.429596      1.515679  
1 1 1 2   28 31 o 42.64069 0.7689093 18.19161       0.6548008 19.19422       0.9575580 17.31097       0.8974210 2.199432       1.537819  
1 1 1 2   28 32 o 11.40233 2.219742  1.244308       0.4387057 1.589177       1.006138  1.163349       0.4874873 1.807369       4.439485  
1 1 1 2   28 33 o 78.95551 1.327736  62.50672       2.027084  61.13995       2.546392  64.87135       3.349353  -2.141304      2.655472  
1 1 1 2   28 34 o 5.758445 1.685189  0.6024301E-01  0.3282275 -0.1911630     0.4903809 0.2642867      0.4417814 -1.122830      3.370378  
1 1 1 2   28 35 o 54.92765 0.9969932 30.40317       1.082242  30.65467       1.428306  30.06410       1.658376  0.5883446      1.993986  
1 1 1 2   28 36 o 54.55562 1.070200  29.98814       1.167688  30.01115       1.656555  29.96543       1.646214  0.3932190E-01  2.140400  
1 1 1 2   28 37 o 23.13264 1.073838  5.362737       0.4953240 5.885030       0.7341671 4.926367       0.6710660 2.055073       2.147676  
1 1 1 2   28 38 o 48.17270 1.022815  23.35567       0.9849028 23.90569       1.421577  22.84794       1.365821  1.083942       2.045629  
1 1 1 2   28 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   29 0  o 99.56905 1.129548  99.29772       2.245548  96.08317       3.069960  102.9967       3.293142  -3.445648      2.259096  
1 1 1 2   29 1  o 49.31168 0.7349764 24.24472       0.7232031 26.18260       1.066194  22.59330       0.9842417 3.633171       1.469953  
1 1 1 2   29 2  o 67.46840 0.8521820 45.39145       1.145932  43.05407       1.544463  48.25409       1.709218  -3.839088      1.704364  
1 1 1 2   29 3  o 21.47919 0.8155001 4.607777       0.3496871 4.380934       0.4772416 4.870754       0.5138494 -1.137108      1.631000  
1 1 1 2   29 4  o 64.25017 0.8278130 41.04688       1.058375  38.36347       1.412805  44.47876       1.597733  -4.742958      1.655626  
1 1 1 2   29 5  o 41.95084 0.7052034 17.61019       0.5911412 17.30452       0.8159828 17.94780       0.8575663 -0.7636375     1.410407  
1 1 1 2   29 6  o 47.44611 0.9068839 23.04435       0.8169609 20.97486       1.359205  24.21487       1.022216  -3.445896      1.813768  
1 1 1 2   29 7  o 35.31805 1.061782  12.52098       0.7495276 12.68218       1.045665  12.35063       1.074924  0.4726753      2.123565  
1 1 1 2   29 8  o 84.19056 1.425412  71.15306       2.396097  68.61201       3.275458  74.07824       3.514324  -3.209717      2.850824  
1 1 1 2   29 9  o 57.99454 0.9975829 34.24330       1.086072  35.26874       1.335244  32.23847       1.866999  2.669460       1.995166  
1 1 1 2   29 10 o 120.4658 1.637576  145.0644       3.678111  142.8301       4.442773  149.9321       6.557565  -2.564598      3.275151  
1 1 1 2   29 11 o 61.07211 1.109050  37.42318       1.354206  38.54758       1.943801  36.36275       1.887704  1.781574       2.218100  
1 1 1 2   29 12 o 37.05724 0.9183243 13.66347       0.6776888 12.61890       0.9085499 14.97348       1.017465  -3.165161      1.836649  
1 1 1 2   29 13 o 72.33154 1.234891  52.17750       1.777400  56.66891       2.683550  48.66734       2.372363  5.484650       2.469783  
1 1 1 2   29 14 o 25.82273 0.9496500 6.694009       0.4900121 7.001380       0.6917018 6.384353       0.6942687 1.195044       1.899300  
1 1 1 2   29 15 o 84.89287 1.218163  71.60523       1.935843  74.87093       3.435842  70.08639       2.343163  2.648918       2.436327  
1 1 1 2   29 16 o 87.40776 1.026991  76.68538       1.795078  77.69706       2.565531  75.71507       2.512547  1.126549       2.053982  
1 1 1 2   29 17 o 28.74139 0.7372166 8.272603       0.4235039 8.699456       0.6065817 7.866642       0.5915510 1.447311       1.474433  
1 1 1 2   29 18 o 46.86015 0.7422144 21.89876       0.6939170 23.84189       1.022948  20.24245       0.9444405 3.832668       1.484429  
1 1 1 2   29 19 o 50.24479 0.7516756 25.29776       0.7552923 25.00800       1.059799  25.59683       1.076690  -0.5841980     1.503351  
1 1 1 2   29 20 o 27.57797 0.7700861 7.479135       0.4162344 9.931475       0.6338867 5.620245       0.5518845 7.807442       1.540172  
1 1 1 2   29 21 o 49.50049 0.7592950 24.56241       0.7516783 24.77123       1.061688  24.35253       1.064384  0.4232254      1.518590  
1 1 1 2   29 22 o 70.86362 0.9025474 49.85845       1.270258  46.12720       1.679913  54.84007       1.941092  -6.112450      1.805095  
1 1 1 2   29 23 o 16.23598 1.023368  2.622437       0.3279132 3.287816       0.4887686 2.077810       0.4421992 3.718830       2.046736  
1 1 1 2   29 24 o 59.47820 0.8223015 35.37867       0.9763142 33.72243       1.331327  37.30572       1.436045  -2.997650      1.644603  
1 1 1 2   29 25 o 30.19104 1.223455  9.092856       0.7161505 9.544762       1.178633  8.828370       0.9016860 1.127155       2.446911  
1 1 1 2   29 26 o 41.45963 0.7573662 17.21012       0.6274421 16.57129       0.8653468 17.91828       0.9110938 -1.618347      1.514732  
1 1 1 2   29 27 o 39.61568 0.7545962 15.73708       0.5978020 15.38977       0.8404619 16.09271       0.8504664 -0.8858528     1.509192  
1 1 1 2   29 28 o 9.504686 1.657768  0.9602776      0.3139366 0.8380134      0.4628535 1.064446       0.4272299 -1.112008      3.315536  
1 1 1 2   29 29 o 40.25816 1.091771  17.19787       0.7878690 14.23429       1.414648  18.53044       0.9486052 -5.431396      2.183541  
1 1 1 2   29 30 f 7.407179 2.170998  0.1470048      0.5369213 0.4669505      0.6486514 -0.5493003     0.9569141 0.9693666      4.341996  
1 1 1 2   29 31 o 29.90584 0.8157628 9.002018       0.4860446 8.085006       0.6866458 9.922914       0.6880981 -3.072563      1.631526  
1 1 1 2   29 32 f 12.64294 1.351007  1.609952       0.3407576 1.711327       0.5042337 1.524737       0.4623002 0.7254038      2.702015  
1 1 1 2   29 33 o 48.20413 0.9200191 23.33286       0.8639627 23.23396       1.102439  23.49028       1.390884  -0.2063522     1.840038  
1 1 1 2   29 34 o 28.82367 0.9869485 8.358081       0.5676394 8.426189       0.8329705 8.299028       0.7756206 0.2071285      1.973897  
1 1 1 2   29 35 o 13.37950 1.609047  1.908386       0.4085771 1.456995       0.6017095 2.294575       0.5565586 -3.353582      3.218094  
1 1 1 2   29 36 o 22.99509 1.075384  5.298577       0.4930777 5.770599       0.7321609 4.906814       0.6670174 1.861101       2.150769  
1 1 1 2   29 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   30 0  o 31.59468 0.7121745 9.964066       0.4491939 9.399515       0.6132859 10.61744       0.6597705 -1.923502      1.424349  
1 1 1 2   30 1  o 92.19370 1.306767  86.17927       2.295310  83.15195       3.853089  87.84451       2.857698  -2.697105      2.613533  
1 1 1 2   30 2  o 40.27812 1.036269  16.23761       0.8334142 15.52723       1.139427  17.05491       1.222170  -1.886177      2.072539  
1 1 1 2   30 3  o 40.25908 1.035972  16.25315       0.8337840 15.76035       1.159003  16.78176       1.200382  -1.263393      2.071945  
1 1 1 2   30 4  o 100.7850 1.412743  102.3334       2.675422  102.4548       3.267728  102.0866       4.659688  0.4172516      2.825487  
1 1 1 2   30 5  o 56.18692 0.7783691 31.49904       0.8721754 29.91560       1.180161  33.40463       1.294659  -3.093910      1.556738  
1 1 1 2   30 6  o 35.64275 0.7065147 12.73256       0.5033729 13.14271       0.7093911 12.31662       0.7143888 1.159279       1.413029  
1 1 1 2   30 7  o 46.79597 0.7256252 21.94058       0.6790537 22.00093       0.9540944 21.87863       0.9666833 0.1318169      1.451250  
1 1 1 2   30 8  o 40.21790 0.7068440 16.14500       0.5673258 15.33128       0.7718700 17.10112       0.8366830 -2.194431      1.413688  
1 1 1 2   30 9  o 104.9321 1.184471  110.6411       2.485068  109.2411       3.465224  112.1235       3.565766  -1.357910      2.368943  
1 1 1 2   30 10 o 47.29957 0.7327692 22.18170       0.6890069 20.32595       0.9150155 24.61183       1.047091  -4.517712      1.465538  
1 1 1 2   30 11 o 79.30409 0.9550354 63.10542       1.514643  62.78461       2.126481  63.43578       2.157923  -0.4065170     1.910071  
1 1 1 2   30 12 o 27.04522 0.7462357 7.314129       0.4030200 7.058105       0.5516540 7.607191       0.5902103 -1.011221      1.492471  
1 1 1 2   30 13 o 18.12365 0.9280624 3.311706       0.3325220 3.942754       0.4751717 2.706108       0.4654919 3.410477       1.856125  
1 1 1 2   30 14 o 29.73677 0.7274213 8.862751       0.4325424 9.014380       0.6097727 8.709181       0.6136604 0.5135632      1.454843  
1 1 1 2   30 15 o 33.66818 0.7187502 11.35371       0.4836613 11.94628       0.6916637 10.78669       0.6765860 1.720535       1.437500  
1 1 1 2   30 16 o 79.21078 0.9598004 62.90821       1.519174  61.33848       2.095630  64.64676       2.205447  -2.072922      1.919601  
1 1 1 2   30 17 o 59.01727 0.9523510 35.56765       1.093923  38.03098       1.423757  32.01788       1.709128  5.133591       1.904702  
1 1 1 2   30 18 o 74.37547 1.111552  55.30402       1.563424  54.68684       1.915764  56.53465       2.705195  -1.112534      2.223103  
1 1 1 2   30 19 o 43.51005 0.9606452 18.66638       0.8283699 21.99686       1.275832  16.23915       1.089170  6.588322       1.921290  
1 1 1 2   30 20 f 27.80589 0.9497092 7.744439       0.5274002 7.230051       0.7263061 8.318195       0.7670757 -1.950216      1.899418  
1 1 1 2   30 21 o 23.18280 1.007664  5.401630       0.4665195 5.395540       0.6782021 5.407099       0.6427416 -0.3115463E-01 2.015329  
1 1 1 2   30 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   30 23 f 46.11535 0.8947341 20.23181       0.7772010 24.68084       1.403961  18.26599       0.9332410 6.880680       1.789468  
1 1 1 2   30 24 o 72.75772 0.9995714 52.68700       1.425630  55.76395       2.280001  50.71173       1.826787  3.390358       1.999143  
1 1 1 2   30 25 o 18.35567 0.9870293 3.380484       0.3620108 3.554029       0.5254488 3.223680       0.4994604 0.8950119      1.974059  
1 1 1 2   30 26 o 33.94009 1.324237  11.62110       0.8984029 11.12391       1.250237  12.15193       1.291852  -1.503571      2.648474  
1 1 1 2   30 27 o 27.39831 1.291353  7.391037       0.6714151 7.014048       0.8187988 8.164809       1.173057  -2.008608      2.582707  
1 1 1 2   30 28 o 46.83164 0.7811151 21.93900       0.7303526 20.44704       1.000840  23.63854       1.068196  -3.396049      1.562230  
1 1 1 2   30 29 o 26.20980 0.8318397 6.892641       0.4358240 7.126655       0.6285526 6.675958       0.6048281 0.8553925      1.663679  
1 1 1 2   30 30 o 31.89913 0.7970738 10.18788       0.5076826 10.70736       0.7445768 9.736540       0.6940287 1.512756       1.594148  
1 1 1 2   30 31 o 37.39647 0.8869002 14.00441       0.6553155 13.72812       0.8584873 14.39019       1.014420  -0.8532028     1.773800  
1 1 1 2   30 32 o 95.05270 1.548566  91.64309       2.938846  95.52480       4.312459  88.27724       4.015701  3.698822       3.097132  
1 1 1 2   30 33 o 13.50682 1.563268  1.856748       0.4081677 2.305075       0.6142161 1.502188       0.5462208 3.132038       3.126537  
1 1 1 2   30 34 o 46.53628 1.012444  21.74265       0.9402894 22.83170       1.386155  20.81438       1.279750  2.140862       2.024889  
1 1 1 2   31 0  o 10.77172 2.073402  1.214702       0.4609093 1.387119       0.6572635 1.047876       0.6465176 1.383912       4.146804  
1 1 1 2   31 1  o 23.14048 0.8330682 5.335398       0.3840509 4.739793       0.5221108 6.037601       0.5669110 -2.799122      1.666136  
1 1 1 2   31 2  o 49.56416 0.7496297 24.43985       0.7400356 22.67725       0.9930534 26.64119       1.109786  -3.986870      1.499259  
1 1 1 2   31 3  o 46.81961 0.7325226 21.96757       0.6858849 22.18251       0.9680780 21.75092       0.9719088 0.4612885      1.465045  
1 1 1 2   31 4  o 43.14492 0.7250291 18.36440       0.6207440 16.16825       0.8198408 21.31481       0.9502556 -5.951313      1.450058  
1 1 1 2   31 5  o 69.09706 0.8717455 47.88476       1.204689  48.18046       1.706873  47.59125       1.700520  0.4256058      1.743491  
1 1 1 2   31 6  o 31.15026 0.7405087 9.584556       0.4574953 8.107074       0.6097004 11.48836       0.6920962 -5.418909      1.481017  
1 1 1 2   31 7  f 52.80916 0.7639406 27.95578       0.8067457 28.15123       1.133798  27.75536       1.148159  0.3763618      1.527881  
1 1 1 2   31 8  o 63.73498 0.8381251 40.66397       1.067028  39.34716       1.465189  42.15099       1.557005  -2.188587      1.676250  
1 1 1 2   31 9  o 46.22581 0.7380016 21.40299       0.6820549 22.18608       0.9773343 20.65950       0.9522958 1.648540       1.476003  
1 1 1 2   31 10 o 37.23593 0.7168241 13.89977       0.5331212 14.00023       0.7366689 13.78930       0.7725014 0.2869759      1.433648  
1 1 1 2   31 11 o 41.89807 0.7237200 17.45444       0.6039830 19.65381       0.8990578 15.64542       0.8153816 4.774628       1.447440  
1 1 1 2   31 12 o 39.35672 0.7212366 15.53010       0.5674239 15.80887       0.7946427 15.24009       0.8105098 0.7242889      1.442473  
1 1 1 2   31 13 o 37.28191 0.7228652 13.90413       0.5383999 14.82849       0.7794477 13.06063       0.7445737 2.367100       1.445730  
1 1 1 2   31 14 o 24.21977 0.8081815 5.883781       0.3913967 5.740433       0.5532054 6.027453       0.5538322 -0.5924530     1.616363  
1 1 1 2   31 15 o 55.05447 0.7901429 30.35627       0.8691664 29.49568       1.197412  31.31469       1.263633  -1.643360      1.580286  
1 1 1 2   31 16 o 46.60910 1.152370  21.86020       1.073919  21.69701       1.498838  22.03237       1.539480  -0.3517075     2.304739  
1 1 1 2   31 17 o 41.58680 1.161508  17.32675       0.9634961 19.13094       1.415884  15.77076       1.314892  4.019386       2.323016  
1 1 1 2   31 18 o 34.60390 0.7456819 11.97434       0.5149295 13.15660       0.7482619 10.91077       0.7097073 3.240002       1.491364  
1 1 1 2   31 19 o 28.73160 0.7719177 8.275915       0.4434687 8.076865       0.6196346 8.484937       0.6349653 -0.7080555     1.543835  
1 1 1 2   31 20 o 30.25777 0.7625330 9.128842       0.4601002 8.365246       0.6241637 10.03754       0.6808907 -2.755648      1.525066  
1 1 1 2   31 21 o 4.968225 1.528593  -0.7160635E-01 0.2848024 -0.1266544     0.4049875 -0.1774690E-01 0.4005914 -0.2899384     3.057186  
1 1 1 2   31 22 o 27.74562 1.100354  6.879579       0.5293558 9.569747       1.130985  6.124925       0.5990201 6.093853       2.200708  
1 1 1 2   31 23 f 49.46942 1.236046  24.66898       1.222576  23.94867       1.706698  25.42819       1.752167  -1.484200      2.472092  
1 1 1 2   31 24 o 47.51056 0.7869797 22.63125       0.7471777 23.97103       1.073492  21.37229       1.040613  2.729645       1.573959  
1 1 1 2   31 25 o 24.34621 0.8617625 5.927838       0.4174065 6.846052       0.6112044 5.125307       0.5714069 3.526396       1.723525  
1 1 1 2   31 26 f 15.75543 1.140421  2.501539       0.3587657 2.521041       0.5234675 2.484263       0.4926741 0.1089182      2.280841  
1 1 1 2   31 27 o 23.37206 0.9556403 5.396780       0.4422932 4.516827       0.5855115 6.566205       0.6749803 -4.365307      1.911281  
1 1 1 2   31 28 o 8.766703 1.822199  0.7938254      0.3410716 0.9031213      0.4978068 0.6971247      0.4682454 0.9984655      3.644398  
1 1 1 2   31 29 o 29.42267 0.9686246 8.642904       0.5675525 9.514038       0.8517122 7.947127       0.7611776 2.641382       1.937249  
1 1 1 2   31 30 o 18.92782 1.158442  3.621989       0.4353654 3.572415       0.6537386 3.661498       0.5836113 -0.2557201     2.316884  
1 1 1 2   31 31 o 38.26334 0.9638691 14.64347       0.7350508 15.85468       1.096812  13.65596       0.9903577 2.848095       1.927738  
1 1 1 2   31 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   32 0  o 54.42363 0.7853060 29.54990       0.8519517 27.98348       1.149203  31.46122       1.269432  -3.180901      1.570612  
1 1 1 2   32 1  o 88.07597 1.034797  77.92099       1.822646  77.49878       2.557481  78.35677       2.598226  -0.4807358     2.069595  
1 1 1 2   32 2  o 53.34318 0.7791517 28.52533       0.8310276 28.38300       1.160653  28.67506       1.190413  -0.2702484     1.558303  
1 1 1 2   32 3  o 89.66629 1.050331  80.32590       1.875392  76.17992       2.514605  85.52230       2.815185  -5.161362      2.100663  
1 1 1 2   32 4  o 40.20664 0.7311804 16.17397       0.5871379 15.68005       0.8049607 16.73550       0.8582783 -1.306522      1.462361  
1 1 1 2   32 5  o 75.46417 0.9291844 57.13607       1.401778  56.21081       1.947899  58.12994       2.018831  -1.261223      1.858369  
1 1 1 2   32 6  o 39.95599 0.7257623 16.00623       0.5798213 16.39121       0.8188165 15.61902       0.8211709 0.9665718      1.451525  
1 1 1 2   32 7  o 42.83105 0.7281670 18.38648       0.6236026 18.24736       0.8707149 18.53300       0.8935426 -0.3307381     1.456334  
1 1 1 2   32 8  o 23.14630 0.8315461 5.341850       0.3829848 4.638449       0.5214523 6.165685       0.5643297 -3.293148      1.663092  
1 1 1 2   32 9  o 45.24600 0.7368742 20.52577       0.6667179 20.52615       0.9350669 20.52537       0.9508955 0.2849579E-02  1.473748  
1 1 1 2   32 10 o 6.104967 1.664982  0.2492543      0.2874941 0.2684276      0.3933733 0.2272717      0.4212086 0.2921915E-01  3.329964  
1 1 1 2   32 11 o 29.17466 0.7546816 8.519128       0.4393993 8.299035       0.5988985 8.775721       0.6466547 -0.8106213     1.509363  
1 1 1 2   32 12 o 22.36543 0.8313274 4.984388       0.3704532 4.463729       0.5019006 5.607512       0.5490712 -2.550127      1.662655  
1 1 1 2   32 13 o 38.53585 0.7308784 14.88823       0.5632389 14.79639       0.7897663 14.98329       0.8034912 -0.2407303     1.461757  
1 1 1 2   32 14 o 20.86901 0.8828999 4.380389       0.3678021 4.584259       0.5131627 4.165024       0.5274321 1.006668       1.765800  
1 1 1 2   32 15 o 54.00395 0.7879565 29.25377       0.8509673 29.85089       1.208906  28.66730       1.198066  1.094299       1.575913  
1 1 1 2   32 16 o 13.89615 1.164273  1.956971       0.3185269 2.391998       0.4561700 1.543047       0.4449689 3.052266       2.328545  
1 1 1 2   32 17 o 28.82692 0.7862855 8.317951       0.4525607 8.017509       0.6186019 8.663925       0.6638233 -1.114433      1.572571  
1 1 1 2   32 18 o 19.30704 1.031025  3.654964       0.3910988 4.254966       0.6288798 3.276558       0.4994247 2.507505       2.062049  
1 1 1 2   32 19 o 54.25999 1.224830  29.65030       1.328261  28.54549       1.837893  30.85828       1.921805  -2.110714      2.449660  
1 1 1 2   32 20 o 46.25471 1.011388  21.54729       0.8433527 21.58236       0.9970816 21.45914       1.580892  0.2501945      2.022776  
1 1 1 2   32 21 o 43.15155 0.7644202 18.50041       0.6564040 16.63694       0.8783995 20.85693       0.9877906 -4.871578      1.528840  
1 1 1 2   32 22 o 60.60123 0.8380112 36.88686       1.015665  36.72154       1.430258  37.05504       1.442555  -0.2728577     1.676022  
1 1 1 2   32 23 o 21.06866 0.9173172 4.454094       0.3826217 5.362749       0.5572775 3.643742       0.5262704 4.073326       1.834634  
1 1 1 2   32 24 f 30.62791 0.7913483 9.409493       0.4844801 8.998234       0.6745769 9.847609       0.6962541 -1.382738      1.582697  
1 1 1 2   32 25 o 21.29303 0.9349043 4.550508       0.3977050 4.781085       0.5789043 4.344416       0.5473046 1.018475       1.869809  
1 1 1 2   32 26 o 28.99932 0.8168370 8.400518       0.4723676 9.138391       0.7008268 7.786244       0.6394426 2.318964       1.633674  
1 1 1 2   32 27 o 26.60336 0.9579082 7.113214       0.5092188 6.887522       0.7022579 7.363459       0.7394705 -0.8855553     1.915816  
1 1 1 2   32 28 f 32.71240 0.9619073 10.74585       0.6282310 9.895549       0.8683124 11.67989       0.9100631 -2.717522      1.923815  
1 1 1 2   32 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   33 0  f 50.51554 0.7703514 25.54693       0.7775809 26.90962       1.127463  24.31081       1.073828  2.565002       1.540703  
1 1 1 2   33 1  o 174.8911 1.895544  311.1014       6.625644  305.0143       9.167902  317.7567       9.586241  -3.503098      3.791088  
1 1 1 2   33 2  o 31.77526 0.7726507 10.03328       0.4885071 8.814275       0.6580132 11.53014       0.7291585 -4.263861      1.545301  
1 1 1 2   33 3  o 134.6854 1.483194  183.3816       3.995027  182.3589       5.611845  184.4323       5.688581  -0.7496185     2.966387  
1 1 1 2   33 4  o 37.08705 0.7306499 13.79729       0.5417121 14.12377       0.7613673 13.46256       0.7709150 0.8926659      1.461300  
1 1 1 2   33 5  o 21.50000 0.8817455 4.631561       0.3787462 4.447205       0.5211499 4.837927       0.5513840 -0.9039326     1.763491  
1 1 1 2   33 6  o 72.14557 0.9055150 51.97378       1.301134  49.26933       1.746303  55.34870       1.950795  -4.180328      1.811030  
1 1 1 2   33 7  o 53.69420 0.7819329 28.80816       0.8376523 27.38743       1.137037  30.49437       1.238723  -2.878933      1.563866  
1 1 1 2   33 8  f 58.09116 0.8097833 33.74406       0.9386888 32.23322       1.276121  35.52535       1.385644  -2.817535      1.619567  
1 1 1 2   33 9  o 79.08205 0.9647357 62.61016       1.522319  66.20380       2.248616  59.56938       2.068422  4.162659       1.929471  
1 1 1 2   33 10 o 91.96886 1.076901  85.02035       1.979218  83.16059       2.733763  87.06896       2.869222  -2.097450      2.153803  
1 1 1 2   33 11 o 10.80997 1.522169  1.211129       0.3225524 1.464211       0.4609503 0.9683059      0.4515122 2.461457       3.044337  
1 1 1 2   33 12 o 28.86242 0.7655964 8.357521       0.4418058 8.358193       0.6172907 8.356812       0.6326061 0.4695892E-02  1.531193  
1 1 1 2   33 13 o 28.32456 0.7858256 8.054004       0.4434279 9.008574       0.6351506 7.146331       0.6193513 3.284866       1.571651  
1 1 1 2   33 14 o 56.58142 1.025794  31.67694       1.067637  33.55121       1.962719  30.88931       1.272341  2.212711       2.051588  
1 1 1 2   33 15 o 14.54930 2.007137  2.169691       0.5706171 1.711929       0.7622815 2.753123       0.8605790 -3.762549      4.014275  
1 1 1 2   33 16 o 18.29819 1.599390  3.942081       0.4616000 4.493515       0.5440292 2.524639       0.8722245 5.693254       3.198779  
1 1 1 2   33 17 o 50.96845 0.7866801 25.98039       0.7996217 24.84743       1.082437  27.34135       1.186368  -2.428268      1.573360  
1 1 1 2   33 18 o 46.29623 0.7694975 21.42722       0.7109970 20.16117       0.9682409 22.90881       1.047424  -2.953941      1.538995  
1 1 1 2   33 19 o 36.82783 0.7666592 13.61711       0.5642688 13.73740       0.7850282 13.48852       0.8116298 0.3423996      1.533318  
1 1 1 2   33 20 f 62.07753 0.8507016 38.69864       1.055946  37.97488       1.474128  39.46138       1.513308  -1.189758      1.701403  
1 1 1 2   33 21 o 69.23344 0.9041635 48.13222       1.251005  49.65967       1.813189  46.74454       1.728243  2.087387       1.808327  
1 1 1 2   33 22 o 20.66652 0.9318078 4.296074       0.3850175 4.146209       0.5412029 4.449644       0.5478520 -0.7326145     1.863616  
1 1 1 2   33 23 o 23.51212 0.8768227 5.558970       0.4122837 5.633708       0.5824239 5.483906       0.5836927 0.3188477      1.753645  
1 1 1 2   33 24 f 37.02393 0.7737707 13.76331       0.5728534 13.69189       0.8015289 13.83788       0.8190288 -0.1938286     1.547541  
1 1 1 2   33 25 o 33.40079 0.9596857 11.18315       0.6393130 12.41917       0.9345977 10.09614       0.8764512 3.463774       1.919371  
1 1 1 2   33 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   34 0  o 23.78634 0.8822809 5.577251       0.4155137 4.680536       0.5488009 6.781784       0.6360577 -4.401634      1.764562  
1 1 1 2   34 1  f 77.82373 1.224865  61.38545       1.883815  63.27459       2.502484  58.91496       2.861746  2.888115       2.449729  
1 1 1 2   34 2  o 33.01088 1.036465  10.95166       0.6838682 10.64364       0.9469473 11.28742       0.9886730 -0.9664841     2.072929  
1 1 1 2   34 3  o 40.78934 1.021625  16.55174       0.8286974 14.94711       1.103688  18.62549       1.254690  -4.478214      2.043250  
1 1 1 2   34 4  o 53.73340 0.9439888 29.14539       0.9767827 28.53945       1.607390  29.50015       1.229926  -0.9643593     1.887978  
1 1 1 2   34 5  o 57.51767 0.8139100 33.13342       0.9348250 31.95539       1.279340  34.48299       1.369327  -2.182560      1.627820  
1 1 1 2   34 6  o 61.61723 0.8410110 38.11418       1.036261  37.78918       1.450712  38.45277       1.480738  -0.5333710     1.682022  
1 1 1 2   34 7  o 63.96049 0.8551633 40.97775       1.092046  39.37613       1.491901  42.82640       1.602832  -2.677727      1.710327  
1 1 1 2   34 8  o 34.03695 0.7635683 11.59350       0.5187441 12.68063       0.7538546 10.61577       0.7149225 3.027016       1.527137  
1 1 1 2   34 9  o 74.85339 1.174779  55.87578       1.629091  58.17866       2.944211  54.85961       1.955764  1.968872       2.349558  
1 1 1 2   34 10 o 24.05219 1.375618  5.900443       0.6562967 6.442578       0.9026620 5.292456       0.9559126 2.407064       2.751237  
1 1 1 2   34 11 o 28.17034 1.119747  8.049244       0.6084085 8.197247       0.7691786 7.801881       0.9943979 0.7574539      2.239495  
1 1 1 2   34 12 o 41.44041 0.7609223 17.22223       0.6302996 16.86640       0.8737084 17.60837       0.9101655 -0.8890839     1.521845  
1 1 1 2   34 13 f 30.85572 0.7752368 9.557293       0.4783159 9.604457       0.6707852 9.508503       0.6822420 0.1574478      1.550474  
1 1 1 2   34 14 o 50.18570 0.7857969 25.19683       0.7871560 23.92122       1.072749  26.68482       1.158616  -2.738327      1.571594  
1 1 1 2   34 15 o 52.01309 0.7927439 27.15824       0.8245625 27.74886       1.174145  26.58352       1.158233  1.117363       1.585488  
1 1 1 2   34 16 o 35.38382 0.7665773 12.48932       0.5406873 11.57447       0.7296017 13.60381       0.8052822 -2.854095      1.533155  
1 1 1 2   34 17 f 51.32543 0.7945868 26.43737       0.8153517 27.20285       1.172249  25.71997       1.134824  1.437428       1.589174  
1 1 1 2   34 18 o 23.37941 0.8703360 5.490816       0.4058215 4.947634       0.5645946 6.071419       0.5837196 -2.399212      1.740672  
1 1 1 2   34 19 o 29.93370 0.7870427 8.993408       0.4710140 8.748370       0.6557385 9.254596       0.6769989 -0.8413734     1.574085  
1 1 1 2   34 20 o 30.71360 0.8005496 9.482690       0.4913520 9.768064       0.6884856 9.186467       0.7014489 0.9493389      1.601099  
1 1 1 2   34 21 o 27.88217 1.007941  7.823202       0.5612156 7.241046       0.7823563 8.440323       0.8055076 -2.144861      2.015882  
1 1 1 2   34 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   35 0  o 59.96557 0.8350960 36.08929       1.001180  37.26087       1.438143  34.98755       1.394624  1.887505       1.670192  
1 1 1 2   35 1  o 57.61145 0.8136195 33.25133       0.9363054 34.91289       1.366317  31.78021       1.285635  2.704292       1.627239  
1 1 1 2   35 2  o 56.89308 0.8122910 32.36300       0.9222077 34.71259       1.360202  30.36411       1.254588  3.802635       1.624582  
1 1 1 2   35 3  o 35.14594 0.9577625 12.38640       0.6703427 12.04435       0.9018283 12.80874       1.002095  -1.066124      1.915525  
1 1 1 2   35 4  o 28.42201 1.241631  8.141086       0.7043261 7.928419       0.9606018 8.388340       1.035776  -0.7882633     2.483262  
1 1 1 2   35 5  o 49.24380 1.146530  24.45545       1.129008  24.90832       1.594465  24.00008       1.598859  0.9233246      2.293060  
1 1 1 2   35 6  o 31.54896 0.9903598 9.794488       0.5700317 9.490049       0.6742512 10.55732       1.067301  -1.604490      1.980720  
1 1 1 2   35 7  o 56.17013 0.8144612 31.60525       0.9137651 33.74958       1.330022  29.68827       1.257540  3.601669       1.628922  
1 1 1 2   35 8  o 51.24355 0.9522353 25.58021       0.9064614 24.26461       1.082833  28.66123       1.657095  -4.164104      1.904471  
1 1 1 2   35 9  o 12.67514 1.676657  1.720424       0.4072973 2.482829       0.5811052 0.9842070      0.5710377 5.984955       3.353315  
1 1 1 2   35 10 f 25.69435 1.081847  6.648298       0.5555658 6.314517       0.7738775 7.003263       0.7980579 -1.333986      2.163694  
1 1 1 2   35 11 o 22.37109 1.148013  5.052275       0.5131964 5.315420       0.7280968 4.792468       0.7234641 1.167503       2.296025  
1 1 1 2   35 12 o 22.21640 1.104029  4.979783       0.4895347 5.403306       0.6984588 4.570859       0.6863142 1.870129       2.208059  
1 1 1 2   35 13 o 27.32563 0.9280636 7.559597       0.4975777 7.258426       0.7748306 7.770960       0.6491072 -0.9669704     1.856127  
1 1 1 2   35 14 o 49.55518 0.7829000 24.63278       0.7753882 23.89594       1.072204  25.44060       1.122664  -1.548775      1.565800  
1 1 1 2   35 15 o 49.63230 0.7972613 24.71236       0.7909009 25.88675       1.139974  23.62247       1.098201  2.272938       1.594523  
1 1 1 2   35 16 o 40.42710 1.417012  0.000000       0.000000  ?              ?         16.45853       1.145714  ?              ?         
1 1 1 2   35 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   36 0  f 63.51024 0.8575323 40.54634       1.089016  40.61980       1.525419  40.46998       1.555215  0.1243248      1.715065  
1 1 1 2   36 1  o 39.91145 0.7712590 15.99533       0.6148220 15.98331       0.8477844 16.00866       0.8929520 -0.2309036E-01 1.542518  
1 1 1 2   36 2  o 37.79446 0.7702958 14.37458       0.5808502 14.93648       0.8045087 13.76274       0.8395007 1.559456       1.540592  
1 1 1 2   36 3  f 33.56838 0.7863855 11.31320       0.5257401 12.74906       0.7561934 9.969798       0.7314417 4.134907       1.572771  
1 1 1 2   36 4  o 36.38776 0.7761309 13.21857       0.5627906 12.42113       0.7575215 14.20094       0.8407871 -2.429752      1.552262  
1 1 1 2   36 5  o 68.78473 0.9000865 47.52476       1.237514  49.21489       1.787594  45.96931       1.714887  2.343239       1.800173  
1 1 1 2   36 6  o 26.67262 0.8449500 7.166800       0.4490398 7.883103       0.6351631 6.451062       0.6349136 2.684427       1.689900  
1 1 1 2   36 7  o 67.68833 1.078264  45.85043       1.383677  47.24065       2.385871  45.14587       1.698482  1.367737       2.156529  
1 1 1 2   36 8  o 88.76847 2.110224  0.000000       0.000000  ?              ?         80.02731       3.746426  ?              ?         
1 1 1 2   36 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 2   36 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   0  0  f 50.40985 0.8607860 25.45523       0.8666872 25.24230       1.219444  25.67258       1.232014  -0.000000      0.000000  
1 1 1 3   0  1  o 191.1527 2.832141  364.7430       10.78368  350.6060       14.58441  381.7932       16.01689  -0.000000      0.000000  
1 1 1 3   0  2  o 373.2061 6.816549  1402.113       48.15598  1389.638       82.25200  1408.619       59.40087  -0.000000      0.000000  
1 1 1 3   0  3  f 506.3133 7.494690  2553.875       75.30485  2407.825       99.78158  2747.135       114.7811  -0.000000      0.000000  
1 1 1 3   0  4  f 312.8452 4.632129  980.7661       28.94442  994.4293       41.58993  967.9326       40.30738  -0.000000      0.000000  
1 1 1 3   0  5  o 30.28349 0.6524086 9.143775       0.3931874 9.979130       0.5828464 8.446134       0.5326411 -0.000000      0.000000  
1 1 1 3   0  6  o 174.8644 2.602086  303.6656       9.026790  285.7050       11.94332  327.5943       13.78557  -0.000000      0.000000  
1 1 1 3   0  7  o 64.13409 1.265796  41.87463       1.568357  44.04715       2.012013  38.51045       2.503735  -0.000000      0.000000  
1 1 1 3   0  8  o 177.1256 2.648286  310.3097       9.257900  290.6438       12.03441  338.8210       14.49027  -0.000000      0.000000  
1 1 1 3   0  9  o 188.0027 2.789801  353.8069       10.47322  360.9510       15.12866  347.2322       14.51323  -0.000000      0.000000  
1 1 1 3   0  10 o 128.9348 1.940605  166.1889       4.991393  161.3110       6.834118  171.7657       7.307416  -0.000000      0.000000  
1 1 1 3   0  11 o 42.09686 0.9516863 18.11690       0.7760122 19.43530       1.007398  16.19294       1.216959  -0.000000      0.000000  
1 1 1 3   0  12 o 83.41088 1.841198  69.70647       3.062169  68.05986       4.224021  71.53036       4.445592  -0.000000      0.000000  
1 1 1 3   0  13 o 376.9487 5.542108  1415.387       41.52548  1345.662       55.45802  1504.366       62.64911  -0.000000      0.000000  
1 1 1 3   0  14 f 82.74590 1.299678  68.37247       2.143643  65.76865       2.915608  71.43606       3.162565  -0.000000      0.000000  
1 1 1 3   0  15 o 396.3422 5.824113  1574.313       46.12169  1569.260       65.00608  1579.434       65.44800  -0.000000      0.000000  
1 1 1 3   0  16 o 473.8099 8.741919  2196.274       75.19074  2393.303       141.9753  2119.468       88.64276  -0.000000      0.000000  
1 1 1 3   0  17 o 224.3017 4.069304  504.4726       17.19464  503.9557       29.72651  504.7325       21.07874  -0.000000      0.000000  
1 1 1 3   0  18 o 266.4896 3.930973  711.0283       20.92071  699.0854       29.04720  723.9010       30.15667  -0.000000      0.000000  
1 1 1 3   0  19 o 102.8148 1.614099  105.8835       3.315065  105.1739       4.713134  106.5782       4.663678  -0.000000      0.000000  
1 1 1 3   0  20 o 313.8673 4.624839  985.9157       28.96978  960.9989       39.83437  1013.890       42.20744  -0.000000      0.000000  
1 1 1 3   0  21 o 120.4003 1.829202  145.1426       4.399147  143.3237       6.140933  147.0599       6.304976  -0.000000      0.000000  
1 1 1 3   0  22 o 16.46989 0.9096670 2.762746       0.2959419 2.835949       0.4180273 2.689193       0.4190247 -0.000000      0.000000  
1 1 1 3   0  23 o 307.9869 4.540926  950.2515       27.92253  971.3685       40.44262  931.0162       38.59872  -0.000000      0.000000  
1 1 1 3   0  24 o 128.5906 1.953761  165.1735       5.008587  172.2837       7.383056  159.1116       6.817163  -0.000000      0.000000  
1 1 1 3   0  25 o 43.28305 0.8701866 18.73464       0.7502992 19.44744       1.105496  18.12589       1.021626  -0.000000      0.000000  
1 1 1 3   0  26 o 204.2027 3.033556  417.5970       12.36830  409.2383       17.11103  426.7426       17.89836  -0.000000      0.000000  
1 1 1 3   0  27 f 131.8157 1.999164  173.8909       5.260709  169.8504       7.264589  178.3461       7.628259  -0.000000      0.000000  
1 1 1 3   0  28 o 99.96828 1.553489  100.0959       3.102378  99.25808       4.352393  100.9613       4.423318  -0.000000      0.000000  
1 1 1 3   0  29 o 100.9801 1.926800  102.3864       3.668565  101.7883       6.320989  102.6903       4.504916  -0.000000      0.000000  
1 1 1 3   0  30 o 213.3171 4.488549  456.2479       19.13081  456.2479       19.13081  456.2479       19.13081  -0.000000      0.000000  
1 1 1 3   0  31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   0  32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   0  33 o 44.46492 1.299918  19.82495       1.153835  19.82495       1.153835  19.82495       1.153835  -0.000000      0.000000  
1 1 1 3   0  34 o 271.5526 4.027335  740.0767       21.82889  721.9565       30.06603  760.2755       31.74367  -0.000000      0.000000  
1 1 1 3   0  35 o 13.89527 1.752923  2.127175       0.3849506 3.607803       0.5944150 1.057626       0.5052045 -0.000000      0.000000  
1 1 1 3   0  36 o 10.09861 2.120596  1.224549       0.3710476 1.535501       0.5803437 1.009552       0.4825640 -0.000000      0.000000  
1 1 1 3   0  37 f 136.6992 2.082046  187.0378       5.677262  181.0567       7.767912  193.8960       8.318007  -0.000000      0.000000  
1 1 1 3   0  38 f 9.921109 2.068490  1.193137       0.3599434 1.523844       0.5461162 0.9391345      0.4786113 -0.000000      0.000000  
1 1 1 3   0  39 o 37.11136 0.9126126 13.83440       0.6743931 13.71654       0.9807826 13.94010       0.9288099 -0.000000      0.000000  
1 1 1 3   0  40 o 138.1864 2.109090  191.4314       5.815542  185.9178       7.985801  197.6570       8.485791  -0.000000      0.000000  
1 1 1 3   0  41 o 7.596997 2.161449  0.8184783      0.3648588 0.4131688      0.5428556 1.152423       0.4927520 -0.000000      0.000000  
1 1 1 3   0  42 o 100.2310 1.588840  100.6285       3.176700  103.8100       4.646811  97.83695       4.352665  -0.000000      0.000000  
1 1 1 3   0  43 o 41.40510 0.9674715 17.22000       0.7982991 17.05072       1.154145  17.37527       1.105365  -0.000000      0.000000  
1 1 1 3   0  44 o 9.084078 2.677787  1.211590       0.5044109 1.376205       0.6184148 0.8843962      0.8718632 -0.000000      0.000000  
1 1 1 3   0  45 o 5.304786 2.207085  0.3310707      0.3827186 0.3909306      0.6059305 0.2913392      0.4936539 -0.000000      0.000000  
1 1 1 3   0  46 o 48.52577 1.027876  23.64859       0.9951987 23.03988       1.413427  24.24706       1.401496  -0.000000      0.000000  
1 1 1 3   0  47 o 35.19688 1.001235  12.43846       0.7004326 12.79907       1.035123  12.13389       0.9512997 -0.000000      0.000000  
1 1 1 3   0  48 o 32.76034 1.014448  10.81097       0.6603501 10.79887       0.9673108 10.82153       0.9036847 -0.000000      0.000000  
1 1 1 3   0  49 o 8.390461 2.536362  1.007800       0.4301948 1.015349       0.6485176 1.001868       0.5748897 -0.000000      0.000000  
1 1 1 3   0  50 o 8.678724 2.383692  1.098638       0.4403201 0.6216540      0.7066196 1.401419       0.5629875 -0.000000      0.000000  
1 1 1 3   0  51 o 22.98803 1.255258  5.315375       0.5631407 5.874886       0.8841175 4.933412       0.7304948 -0.000000      0.000000  
1 1 1 3   0  52 o 6.523036 2.338248  0.5020521      0.4791081 -0.3261020     0.7512845 1.069706       0.6220006 -0.000000      0.000000  
1 1 1 3   0  53 o 81.43497 1.401155  66.66943       2.278302  64.60637       3.177222  68.85305       3.268740  -0.000000      0.000000  
1 1 1 3   0  54 o 21.33980 1.483365  4.838182       0.6018114 3.805790       0.8874871 5.717022       0.8188322 -0.000000      0.000000  
1 1 1 3   0  55 o 37.50584 1.716098  14.20663       1.281492  14.20663       1.281492  14.20663       1.281492  -0.000000      0.000000  
1 1 1 3   0  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   0  57 o 69.07678 1.295056  47.96931       1.781118  49.12738       2.634648  46.99457       2.417145  -0.000000      0.000000  
1 1 1 3   0  58 f 6.271353 2.646730  0.4272341      0.5612535 0.6505937      0.9027172 0.2864849      0.7165926 -0.000000      0.000000  
1 1 1 3   0  59 o 17.40899 2.062940  3.256952       0.6458167 3.261783       1.027836  3.253802       0.8301523 -0.000000      0.000000  
1 1 1 3   0  60 f 16.10838 3.523484  3.304099       1.005182  4.100866       1.496730  2.649490       1.356653  -0.000000      0.000000  
1 1 1 3   1  0  o 334.4428 3.739066  1120.354       24.79715  1119.207       37.59012  1121.237       32.99452  -0.3694153     7.478132  
1 1 1 3   1  1  o 285.8990 2.993498  817.1238       17.10177  842.5270       24.82698  794.1864       23.59140  8.439941       5.986995  
1 1 1 3   1  2  o 393.5319 4.117040  1544.921       32.29094  1477.406       43.53960  1627.452       48.13851  -18.99139      8.234080  
1 1 1 3   1  3  f 330.2526 3.447908  1078.742       22.54725  1003.870       29.49627  1183.990       34.97159  -27.19778      6.895817  
1 1 1 3   1  4  f 163.7316 1.726736  268.1700       5.654020  267.8427       8.041750  268.4900       7.951005  -0.1982422     3.453473  
1 1 1 3   1  5  o 58.25939 0.6798895 33.87420       0.7911180 35.22553       1.156246  32.68474       1.084789  2.180401       1.359779  
1 1 1 3   1  6  o 253.2711 2.652641  624.5703       13.10459  719.0093       21.56167  569.2518       16.50220  29.51407       5.305282  
1 1 1 3   1  7  o 369.8295 3.845575  1366.865       28.39355  1322.351       38.78830  1418.255       41.67612  -12.92426      7.691150  
1 1 1 3   1  8  o 111.8711 1.210895  125.1358       2.708750  123.4949       3.785377  126.8578       3.877796  -1.502602      2.421790  
1 1 1 3   1  9  o 272.2010 2.838989  741.5191       15.45513  745.2105       21.95122  737.8905       21.76370  1.342682       5.677979  
1 1 1 3   1  10 o 271.8642 2.828277  739.4881       15.37535  747.9108       21.99775  731.4431       21.49889  3.023987       5.656555  
1 1 1 3   1  11 o 476.1968 5.441893  2213.733       49.63885  2079.604       61.07642  2474.722       85.19704  -41.12943      10.88379  
1 1 1 3   1  12 o 495.4079 5.147073  2454.699       50.94015  2530.448       74.20415  2387.183       70.05525  14.41272       10.29415  
1 1 1 3   1  13 o 263.3176 2.740093  693.6275       14.43014  695.5966       20.46296  691.6797       20.35210  0.7431641      5.480186  
1 1 1 3   1  14 o 552.5337 5.736199  3036.101       62.98926  3247.167       95.70525  2874.803       83.66452  33.56952       11.47240  
1 1 1 3   1  15 o 248.5223 2.590942  617.2549       12.86669  604.4202       17.75658  631.4446       18.67028  -5.432495      5.181884  
1 1 1 3   1  16 o 45.54579 0.8363862 20.48625       0.7563897 22.94967       1.157733  18.65165       0.9991049 4.718090       1.672772  
1 1 1 3   1  17 o 302.4586 4.451941  915.7268       26.92772  907.2607       37.75105  924.4962       38.42088  -2.843140      8.903881  
1 1 1 3   1  18 o 196.9238 2.063555  385.3278       8.081305  411.1225       12.23121  365.3432       10.76589  11.61679       4.127110  
1 1 1 3   1  19 o 241.0860 2.513780  581.4908       12.12074  581.6693       17.14872  581.3126       17.13392  0.7388306E-01  5.027561  
1 1 1 3   1  20 o 431.6238 4.482468  1866.037       38.69442  1874.047       54.86598  1858.111       54.57951  1.842377       8.964935  
1 1 1 3   1  21 o 149.7058 1.585425  223.9393       4.742930  229.5599       6.879670  218.8480       6.547672  3.575882       3.170850  
1 1 1 3   1  22 f 101.6156 1.114026  103.2639       2.263911  103.9479       3.223075  102.5978       3.180654  0.6641464      2.228052  
1 1 1 3   1  23 f 280.0422 2.915463  784.6589       16.32072  771.4048       22.65222  798.9663       23.53505  -4.908844      5.830927  
1 1 1 3   1  24 o 221.5952 2.321230  491.0836       10.28050  482.1195       14.23075  500.8681       14.86781  -4.222397      4.642459  
1 1 1 3   1  25 o 256.6721 2.679273  659.5591       13.75216  654.0909       19.26687  665.2386       19.63533  -2.165344      5.358545  
1 1 1 3   1  26 o 141.5006 1.506117  200.3054       4.262071  201.6820       6.068078  198.9651       5.987683  0.9591217      3.012234  
1 1 1 3   1  27 o 132.1893 1.710481  177.3213       4.380450  164.3524       6.996133  185.6839       5.617956  -8.087219      3.420962  
1 1 1 3   1  28 o 172.0649 2.568354  295.9219       8.823980  306.0520       12.92985  287.0910       12.07223  5.492599       5.136707  
1 1 1 3   1  29 f 278.6290 4.121552  778.7875       22.94702  761.6992       31.66008  797.6993       33.30645  -6.401031      8.243105  
1 1 1 3   1  30 o 118.4414 1.562053  141.3117       3.527109  143.5471       4.389055  137.2359       5.926419  2.686333       3.124107  
1 1 1 3   1  31 o 124.6139 1.343080  154.6543       3.334645  163.2454       4.983027  147.6865       4.487588  6.235916       2.686161  
1 1 1 3   1  32 o 299.0848 3.829068  897.8284       21.55455  896.1080       26.34490  901.3120       37.48753  -0.3950500     7.658136  
1 1 1 3   1  33 o 160.9855 2.414806  259.6913       7.774416  257.9967       10.91661  261.4353       11.07446  -1.063065      4.829611  
1 1 1 3   1  34 o 66.01698 1.131304  42.96239       1.478951  48.15921       2.296695  39.28080       1.933093  6.717934       2.262609  
1 1 1 3   1  35 o 47.66166 0.8227492 22.64346       0.7413197 22.96985       1.281845  22.47943       0.9086935 0.5091591      1.645498  
1 1 1 3   1  36 o 77.51249 0.9029681 59.62210       1.391773  55.80862       1.851517  64.57612       2.110306  -5.650391      1.805936  
1 1 1 3   1  37 o 72.02562 0.8586078 51.90130       1.236779  51.52711       1.738962  52.28432       1.759356  -0.5251999     1.717216  
1 1 1 3   1  38 o 136.4103 1.466902  186.1373       3.996760  180.8790       5.485896  192.0856       5.834767  -4.091293      2.933803  
1 1 1 3   1  39 o 139.4704 1.497977  194.8996       4.177495  197.3486       5.985861  192.5743       5.832851  1.703506       2.995953  
1 1 1 3   1  40 o 13.57287 0.9953019 1.859922       0.2633187 1.355233       0.3648171 2.408799       0.3804525 -3.880486      1.990604  
1 1 1 3   1  41 o 76.07808 0.8996775 57.41828       1.360366  62.52590       2.069336  53.53099       1.805282  5.900459       1.799355  
1 1 1 3   1  42 o 85.02714 0.9800224 72.39783       1.666541  72.16954       2.348628  72.62932       2.365150  -0.2695160     1.960045  
1 1 1 3   1  43 o 16.36582 0.9331110 2.686105       0.3034001 3.094621       0.4349775 2.299044       0.4234018 2.430001       1.866222  
1 1 1 3   1  44 o 93.71818 1.507688  88.07793       2.823301  91.19936       4.103000  85.27083       3.890936  3.141495       3.015376  
1 1 1 3   1  45 o 42.86583 0.6928480 18.28255       0.5922137 20.06997       0.8775911 16.78803       0.8024742 3.824482       1.385696  
1 1 1 3   1  46 o 26.65104 0.7292157 7.111726       0.3882704 6.680852       0.5450264 7.555718       0.5532608 -1.640844      1.458431  
1 1 1 3   1  47 o 6.790955 1.670053  0.4054157      0.2807156 0.5269157      0.4021139 0.2899147      0.3920607 1.131600       3.340106  
1 1 1 3   1  48 o 23.49421 0.8201287 5.495580       0.3801767 4.341188       0.5162199 6.863772       0.5619941 -5.364645      1.640257  
1 1 1 3   1  49 o 21.86360 0.8356696 4.792445       0.3646414 4.393898       0.5113336 5.204839       0.5201408 -1.853716      1.671339  
1 1 1 3   1  50 o 26.59915 0.7891197 7.091305       0.4191652 7.614538       0.5978837 6.585533       0.5878226 1.933289       1.578239  
1 1 1 3   1  51 o 40.72290 0.7303630 16.61576       0.5947605 17.02437       0.8454500 16.21540       0.8368526 0.9924126      1.460726  
1 1 1 3   1  52 o 54.07125 0.7862211 29.09190       0.8468480 26.83861       1.137671  31.89180       1.268178  -4.657917      1.572442  
1 1 1 3   1  53 o 41.40688 0.8297236 17.09190       0.6750821 17.74333       1.067484  16.65773       0.8714808 1.286201       1.659447  
1 1 1 3   1  54 o 23.48929 1.346693  5.590300       0.6231163 5.424969       0.9607571 5.710336       0.8186437 -0.6406574     2.693386  
1 1 1 3   1  55 o 20.57954 1.087739  4.131893       0.4404914 3.329071       0.5715696 5.306133       0.6912546 -4.780373      2.175478  
1 1 1 3   1  56 o 14.60477 1.307429  2.153990       0.3817117 2.224607       0.5388932 2.082884       0.5407553 0.4856730      2.614859  
1 1 1 3   1  57 o 14.16867 2.004967  1.969409       0.5506645 1.389976       0.6987141 2.919305       0.8946146 -5.481184      4.009934  
1 1 1 3   1  58 o 25.29231 1.075212  6.346508       0.5340654 6.939816       0.8540486 5.965515       0.6843855 1.885788       2.150423  
1 1 1 3   1  59 o 23.90263 1.089182  5.656797       0.5125203 5.217780       0.6590149 6.328732       0.8153007 -2.282801      2.178364  
1 1 1 3   1  60 o 34.92849 1.485119  12.35023       0.9991581 12.51808       1.656382  12.25422       1.252742  0.2327271      2.970237  
1 1 1 3   2  0  f 346.4301 4.415575  1212.150       29.21618  1235.576       36.47213  1170.196       48.80828  9.641937       8.831150  
1 1 1 3   2  1  o 212.3564 2.713729  452.3982       10.92294  454.7419       13.46794  447.8933       18.67168  1.665802       5.427458  
1 1 1 3   2  2  o 374.1815 4.260073  1387.225       31.05214  1336.971       39.33321  1470.361       50.59021  -17.64175      8.520146  
1 1 1 3   2  3  o 285.6481 2.992137  816.4365       17.08652  826.3010       24.58757  807.2236       23.76157  3.329926       5.984273  
1 1 1 3   2  4  o 325.3326 3.402498  1028.359       21.54503  933.7136       27.01558  1193.739       35.71117  -39.85065      6.804995  
1 1 1 3   2  5  o 313.5876 3.273852  984.4877       20.53177  983.6737       28.88699  985.3187       29.18797  -0.2585754     6.547705  
1 1 1 3   2  6  o 383.4160 3.993546  1472.568       30.62378  1473.869       43.31129  1471.266       43.30584  0.3392944      7.987092  
1 1 1 3   2  7  f 251.8441 2.629929  633.3230       13.22177  613.3534       18.04885  656.4504       19.42356  -8.542770      5.259857  
1 1 1 3   2  8  o 273.3588 2.845472  744.3487       15.49393  785.6270       23.19114  711.0698       20.82310  13.61227       5.690944  
1 1 1 3   2  9  o 418.9829 4.389010  1743.709       36.54717  1632.111       48.50162  1890.320       55.59187  -30.70398      8.778020  
1 1 1 3   2  10 o 299.2758 3.126244  896.1287       18.70836  911.0467       26.79123  881.9313       26.13615  4.857941       6.252488  
1 1 1 3   2  11 o 133.4197 1.555081  175.8852       4.041028  169.0262       5.114147  187.2859       6.593371  -6.837204      3.110162  
1 1 1 3   2  12 o 413.5303 4.313678  1711.012       35.66036  1683.855       49.54316  1740.208       51.36912  -6.797424      8.627356  
1 1 1 3   2  13 f 431.6470 4.490563  1858.407       38.65198  1949.064       57.37454  1783.073       52.30133  19.18582       8.981127  
1 1 1 3   2  14 o 311.1299 3.235021  968.5488       20.13021  969.0174       28.44965  968.0790       28.48720  0.1510620      6.470042  
1 1 1 3   2  15 o 514.3981 5.338379  2650.190       54.92102  2651.479       77.65076  2648.900       77.68936  0.2510986      10.67676  
1 1 1 3   2  16 o 418.9174 4.688342  1752.146       38.66931  1729.603       50.28141  1784.780       60.49837  -6.490967      9.376683  
1 1 1 3   2  17 o 87.23544 0.9780078 74.45762       1.678375  85.09231       2.682737  67.61825       2.151412  10.01437       1.956016  
1 1 1 3   2  18 o 158.5230 1.678492  250.9912       5.315142  244.6557       7.305034  258.1183       7.747999  -4.244537      3.356984  
1 1 1 3   2  19 o 189.0045 1.982915  357.3036       7.495146  354.8978       10.52999  359.7743       10.67089  -1.289291      3.965830  
1 1 1 3   2  20 o 37.65125 0.5620481 14.10422       0.4221045 13.16200       0.5722418 15.22874       0.6251534 -2.744488      1.124096  
1 1 1 3   2  21 f 139.9690 1.498835  195.2505       4.181841  187.8619       5.647101  204.2223       6.222750  -5.841309      2.997669  
1 1 1 3   2  22 o 183.7692 1.930781  337.7775       7.094930  334.0762       9.915234  341.6611       10.15661  -2.061783      3.861562  
1 1 1 3   2  23 o 133.6983 1.429527  178.2001       3.811602  171.3333       5.162241  186.4311       5.651803  -5.642822      2.859054  
1 1 1 3   2  24 o 176.4916 2.237694  316.4622       7.701760  288.2977       12.01844  336.0877       10.03246  -13.56322      4.475389  
1 1 1 3   2  25 o 134.6920 2.033473  181.5408       5.477388  182.7938       7.806825  180.3261       7.686959  0.9144440      4.066945  
1 1 1 3   2  26 o 265.5691 3.922829  707.4534       20.83085  715.8351       29.84372  699.4902       29.08931  3.054504       7.845659  
1 1 1 3   2  27 o 146.6996 2.023258  213.7708       5.754430  208.9433       7.253343  221.9697       9.452590  -4.404449      4.046515  
1 1 1 3   2  28 o 69.13992 0.8219950 46.36769       1.112813  54.89725       1.813187  41.21342       1.409491  9.893112       1.643990  
1 1 1 3   2  29 f 145.0918 1.544870  210.6376       4.482876  210.0069       6.317243  211.2774       6.362486  -0.4372253     3.089739  
1 1 1 3   2  30 o 126.3125 1.357714  158.9664       3.418233  167.3019       5.092742  152.1325       4.611262  5.998528       2.715428  
1 1 1 3   2  31 o 137.3134 1.467835  188.0806       4.020775  180.9276       5.456995  196.5760       5.947027  -5.690536      2.935671  
1 1 1 3   2  32 o 157.1702 1.669360  247.1916       5.246566  244.4140       7.337784  250.0970       7.504557  -1.804703      3.338720  
1 1 1 3   2  33 o 24.20350 0.6742880 5.856730       0.3263164 5.958318       0.4680943 5.760688       0.4551406 0.4081535      1.348576  
1 1 1 3   2  34 o 57.13641 0.7391187 32.53118       0.8426086 34.40255       1.245180  30.95035       1.144440  3.019844       1.478237  
1 1 1 3   2  35 o 43.31661 0.8042083 19.24009       0.6709328 20.81507       0.8627037 16.82948       1.067304  4.603443       1.608417  
1 1 1 3   2  36 o 91.50645 1.450697  83.84071       2.654844  84.37404       3.776374  83.31955       3.733033  0.5747757      2.901395  
1 1 1 3   2  37 o 74.77399 1.235940  55.74437       1.842958  53.10354       2.493472  58.92406       2.736059  -3.884079      2.471880  
1 1 1 3   2  38 o 76.32310 1.084826  58.87648       1.585272  56.33127       2.627839  60.33269       1.987692  -2.643600      2.169652  
1 1 1 3   2  39 o 53.27170 0.7140813 27.87963       0.7530134 24.89381       0.9828533 32.12317       1.171711  -6.780529      1.428163  
1 1 1 3   2  40 o 76.12549 0.8933604 57.97016       1.359465  59.16595       1.960558  56.86274       1.886715  1.509865       1.786721  
1 1 1 3   2  41 o 24.32850 0.6767322 5.894464       0.3268004 4.947529       0.4467099 6.984814       0.4793453 -4.185989      1.353464  
1 1 1 3   2  42 o 43.60644 0.6818526 18.62735       0.5882121 22.07557       0.9159916 16.20758       0.7673284 6.722973       1.363705  
1 1 1 3   2  43 f 57.40035 0.7589430 32.95944       0.8709059 33.61105       1.253903  32.35212       1.210536  1.094753       1.517886  
1 1 1 3   2  44 o 28.16721 0.7113911 7.832156       0.3968170 9.573958       0.5979944 6.461718       0.5304291 5.521318       1.422782  
1 1 1 3   2  45 o 54.18705 0.8124693 29.50455       0.8758863 30.57815       1.192661  28.24759       1.290497  2.156120       1.624939  
1 1 1 3   2  46 o 40.80087 0.6921519 16.64645       0.5644758 17.28850       0.8150294 16.05457       0.7825402 1.510269       1.384304  
1 1 1 3   2  47 o 31.22631 0.7051922 9.728090       0.4395132 8.952348       0.6025423 10.61016       0.6425124 -2.651878      1.410384  
1 1 1 3   2  48 o 18.77784 0.9141243 3.536000       0.3428797 3.313825       0.4823845 3.762880       0.4874657 -1.195217      1.828249  
1 1 1 3   2  49 o 44.00513 0.7203586 19.37939       0.6337010 20.11459       0.9116982 18.69217       0.8814446 1.613712       1.440717  
1 1 1 3   2  50 f 30.09574 0.7495803 9.024794       0.4496594 10.11947       0.6622926 8.088664       0.6124563 3.369198       1.499161  
1 1 1 3   2  51 o 10.58033 1.534285  1.178096       0.3327307 1.984852       0.4802967 0.4336437      0.4613779 6.937620       3.068571  
1 1 1 3   2  52 o 31.74559 1.090999  10.12489       0.6886230 10.14661       1.031636  10.10743       0.9248172 0.4482651E-01  2.181998  
1 1 1 3   2  53 o 24.89272 1.033888  5.923211       0.4947713 5.213934       0.6070152 7.327204       0.8540318 -4.205290      2.067775  
1 1 1 3   2  54 o 20.03725 1.003648  4.047478       0.4008387 4.243188       0.5536349 3.831865       0.5811051 1.031214       2.007297  
1 1 1 3   2  55 o 40.39761 0.7672166 16.35597       0.6196237 16.80863       0.8918511 15.93359       0.8614973 1.078873       1.534433  
1 1 1 3   2  56 o 11.00964 1.547598  1.307467       0.3862361 2.560224       0.5420087 0.1500119E-01  0.5505317 9.854044       3.095197  
1 1 1 3   2  57 o 12.69282 1.556111  1.657499       0.3866607 1.756420       0.5558958 1.564783       0.5381762 0.9422417      3.112221  
1 1 1 3   2  58 o 31.06721 1.169928  10.52173       0.6555799 12.01809       0.8101419 7.682939       1.115859  7.051300       2.339855  
1 1 1 3   2  59 o 9.121698 2.292737  0.6621805      0.5154693 0.4069040      0.6413288 1.128059       0.8663867 -2.950698      4.585475  
1 1 1 3   2  60 f 38.68571 1.498229  15.47088       1.103723  14.24772       1.828045  16.17257       1.384575  -2.646629      2.996458  
1 1 1 3   3  0  o 108.9753 1.169712  117.3137       2.523454  128.7154       3.918024  109.2314       3.298752  8.936890       2.339424  
1 1 1 3   3  1  o 397.1362 4.535631  1519.414       34.07395  1404.433       41.22304  1767.411       60.54081  -45.36679      9.071261  
1 1 1 3   3  2  o 271.9974 2.835104  740.1575       15.41798  752.1184       22.14218  728.8999       21.48146  4.261047       5.670207  
1 1 1 3   3  3  o 311.3113 3.546770  965.5728       21.72687  944.1284       28.15537  997.1414       34.16099  -8.434143      7.093540  
1 1 1 3   3  4  o 319.0698 3.336457  1017.677       21.26805  1052.019       30.96963  987.0252       29.25841  10.16345       6.672914  
1 1 1 3   3  5  o 319.9485 3.340208  1021.830       21.30914  988.1487       28.84571  1062.290       31.61578  -11.55170      6.680416  
1 1 1 3   3  6  o 116.6056 1.246000  135.5121       2.897646  129.9976       3.924764  142.1196       4.296152  -5.196136      2.492000  
1 1 1 3   3  7  o 185.6672 1.949398  344.1529       7.225957  333.7098       9.873982  356.1949       10.60302  -6.049927      3.898795  
1 1 1 3   3  8  f 142.0114 1.502430  201.2735       4.259138  208.6043       6.258159  194.9484       5.813096  4.805634       3.004859  
1 1 1 3   3  9  o 185.4850 1.944195  343.3865       7.198098  332.5380       9.817742  355.9963       10.58477  -6.318634      3.888389  
1 1 1 3   3  10 o 221.1055 2.309985  488.5616       10.20628  501.0006       14.80658  477.3008       14.08794  5.354858       4.619969  
1 1 1 3   3  11 o 610.7080 6.903556  3748.336       83.83768  3815.966       113.2575  3666.356       124.6947  12.42371       13.80711  
1 1 1 3   3  12 o 556.8840 5.778730  3084.910       63.96767  2922.253       85.03441  3296.942       97.08685  -33.50934      11.55746  
1 1 1 3   3  13 f 308.7973 3.213519  950.6890       19.78903  996.5805       29.35862  912.4784       26.78934  13.60263       6.427038  
1 1 1 3   3  14 o 43.69498 0.5857670 19.09187       0.5118392 19.15430       0.7300995 19.03152       0.7177579 0.1404915      1.171534  
1 1 1 3   3  15 o 563.2487 5.867307  3168.339       65.90218  3053.398       89.23847  3306.222       97.74018  -22.34558      11.73461  
1 1 1 3   3  16 o 149.7574 1.585334  223.1134       4.727407  212.4263       6.338893  236.5065       7.096139  -8.037354      3.170668  
1 1 1 3   3  17 o 65.84042 0.7678720 43.18981       1.008462  45.49613       1.493702  41.25799       1.367059  3.218285       1.535744  
1 1 1 3   3  18 f 88.78690 1.149195  78.74348       2.038215  77.02457       2.802652  80.67316       2.969524  -2.054214      2.298390  
1 1 1 3   3  19 o 269.5157 2.807288  725.9418       15.11566  708.9290       20.80571  744.9596       21.99760  -6.675110      5.614576  
1 1 1 3   3  20 o 88.11386 0.9821216 77.61931       1.730348  78.86157       2.480715  76.44219       2.414781  1.372665       1.964243  
1 1 1 3   3  21 f 377.0247 4.823969  1416.637       33.92981  1447.849       60.30647  1402.181       41.04180  5.719940       9.647939  
1 1 1 3   3  22 o 167.6924 2.501701  279.6705       8.346284  297.8889       12.60017  265.4275       11.14093  9.662964       5.003403  
1 1 1 3   3  23 o 274.5721 4.049091  755.6057       22.23401  760.3423       31.65302  750.9922       31.23836  1.694183       8.098183  
1 1 1 3   3  24 o 87.16006 1.379644  75.63033       2.396228  80.07970       3.578120  72.01219       3.226628  4.625175       2.759289  
1 1 1 3   3  25 o 136.4187 1.783707  185.9257       4.576328  185.3669       5.586459  187.0658       7.979183  -0.5938873     3.567414  
1 1 1 3   3  26 o 142.4974 1.515674  203.1221       4.318959  201.0661       6.045848  205.2648       6.171965  -1.471741      3.031347  
1 1 1 3   3  27 o 155.2882 1.644467  241.1710       5.105237  245.2193       7.346946  237.3911       7.099216  2.517334       3.288933  
1 1 1 3   3  28 o 125.7525 1.350825  158.1499       3.396472  156.0458       4.737458  160.3752       4.872044  -1.719894      2.701650  
1 1 1 3   3  29 o 115.9310 1.256040  133.3647       2.893309  143.6793       4.404377  125.5345       3.837467  7.819260       2.512081  
1 1 1 3   3  30 o 227.4998 2.381071  518.3641       10.83387  518.3347       15.32467  518.3934       15.31813  -0.1304626E-01 4.762142  
1 1 1 3   3  31 o 162.4428 1.720407  263.5895       5.580086  255.5718       7.632463  272.7960       8.178689  -5.291550      3.440814  
1 1 1 3   3  32 o 79.79965 0.9173843 63.29196       1.457526  59.67642       1.951803  67.84988       2.191456  -5.118675      1.834769  
1 1 1 3   3  33 o 101.9995 1.127618  103.5660       2.291204  109.7629       3.429250  98.56889       3.079412  5.481834       2.255235  
1 1 1 3   3  34 o 117.4257 1.276104  137.3273       2.984941  145.0953       4.467484  131.0629       4.011866  5.965698       2.552208  
1 1 1 3   3  35 o 108.2220 1.190637  117.1299       2.575795  114.8122       3.575347  119.6308       3.714061  -2.223114      2.381274  
1 1 1 3   3  36 o 162.4637 1.725171  264.3652       5.603898  267.9689       8.042686  260.9647       7.812540  2.146500       3.450341  
1 1 1 3   3  37 o 150.0004 1.723876  226.1585       5.153702  234.9921       7.088975  216.2556       7.505739  6.265472       3.447752  
1 1 1 3   3  38 f 193.4956 2.898093  376.7636       11.20057  388.2761       16.35035  366.5842       15.37463  5.511597       5.796186  
1 1 1 3   3  39 f 106.3153 1.656566  113.3472       3.522195  114.2551       5.011312  112.4608       4.951498  0.8401871      3.313132  
1 1 1 3   3  40 o 42.55032 0.7885269 17.99630       0.6351405 18.49923       1.098687  17.74387       0.7783844 0.8764381      1.577054  
1 1 1 3   3  41 o 113.7268 1.246851  128.8542       2.822680  137.1587       4.246705  122.2816       3.778018  6.512428       2.493702  
1 1 1 3   3  42 o 52.18580 0.7141467 27.23437       0.7449718 27.85195       1.075016  26.66378       1.033320  1.136810       1.428293  
1 1 1 3   3  43 o 25.09039 0.9486111 6.276997       0.4738696 5.486132       0.6490359 7.179869       0.6934748 -3.372826      1.897222  
1 1 1 3   3  44 o 76.63550 0.9098704 58.61650       1.390900  61.60923       2.059504  56.10681       1.885989  3.578995       1.819741  
1 1 1 3   3  45 o 21.91310 1.170206  4.801805       0.5089986 4.923472       0.7727560 4.708566       0.6764787 0.4821529      2.340411  
1 1 1 3   3  46 o 78.40897 0.9339957 61.56720       1.464036  60.30994       2.034189  62.91830       2.108742  -1.657448      1.867991  
1 1 1 3   3  47 o 34.99349 0.7066317 12.16302       0.4922265 13.91713       0.7315153 10.71167       0.6653993 4.575600       1.413263  
1 1 1 3   3  48 o 84.19241 0.9907029 70.79857       1.663234  74.75883       2.470460  67.51537       2.249389  4.278679       1.981406  
1 1 1 3   3  49 o 53.50633 0.7663586 28.63379       0.8192145 29.75245       1.192977  27.63556       1.126930  1.972313       1.532717  
1 1 1 3   3  50 o 35.82540 0.9812168 12.28789       0.6636866 14.66268       1.188976  11.21301       0.7999052 4.765667       1.962434  
1 1 1 3   3  51 o 60.01765 1.165546  36.08360       1.393303  37.53962       2.082707  34.90408       1.874547  2.162601       2.331091  
1 1 1 3   3  52 o 21.28285 0.9760014 4.512412       0.3958969 2.852782       0.5286005 6.632662       0.5974691 -8.870716      1.952003  
1 1 1 3   3  53 o 53.19151 0.7889680 28.37275       0.8392870 28.24211       1.191136  28.50154       1.182771  -0.2449074     1.577936  
1 1 1 3   3  54 o 43.00418 0.7574663 18.54637       0.6514839 18.55589       0.9219923 18.53687       0.9206838 0.2193832E-01  1.514933  
1 1 1 3   3  55 o 23.67001 0.9097796 5.627194       0.4304406 5.872636       0.6109210 5.385234       0.6065722 1.028866       1.819559  
1 1 1 3   3  56 o 27.59341 0.8569940 7.642733       0.4726504 8.027651       0.6749382 7.272317       0.6621038 1.366505       1.713988  
1 1 1 3   3  57 o 15.10850 1.297481  2.299475       0.3896723 1.967553       0.5358067 2.672138       0.5677385 -2.322683      2.594962  
1 1 1 3   3  58 o 18.52015 1.165960  3.461037       0.4315646 3.611046       0.6102986 3.311002       0.6103503 0.8100605      2.331920  
1 1 1 3   3  59 o 11.85039 2.331879  1.439393       0.5563040 1.248140       0.6945055 1.781788       0.9292575 -2.016474      4.663758  
1 1 1 3   3  60 o 25.10852 3.199270  0.000000       0.000000  ?              ?         6.528019       1.606579  ?              ?         
1 1 1 3   4  0  o 211.2747 3.119342  446.3054       13.16767  458.1194       19.13982  435.6888       18.14387  5.296692       6.238683  
1 1 1 3   4  1  o 379.4906 4.711743  1462.462       35.24792  1298.841       52.60181  1595.804       47.48599  -39.21643      9.423487  
1 1 1 3   4  2  f 240.5473 2.507112  578.5378       12.05313  566.9677       16.67605  591.1937       17.44108  -5.028381      5.014223  
1 1 1 3   4  3  o 232.7117 2.425743  540.4847       11.26506  522.1150       15.33386  562.0242       16.60427  -8.563248      4.851485  
1 1 1 3   4  4  o 349.7073 3.650157  1224.697       25.52924  1232.697       36.08859  1216.684       36.11901  2.289886       7.300313  
1 1 1 3   4  5  o 222.3541 2.322732  494.6871       10.32929  496.6599       14.64461  492.7341       14.57131  0.8821411      4.645464  
1 1 1 3   4  6  f 396.1115 4.124917  1566.025       32.56629  1506.274       43.94820  1638.790       48.49869  -16.65771      8.249833  
1 1 1 3   4  7  o 397.5323 4.155111  1576.416       32.89994  1514.477       44.22404  1653.182       49.23308  -17.37164      8.310223  
1 1 1 3   4  8  o 206.8005 2.168341  426.5534       8.945374  410.8478       12.14201  445.1972       13.22912  -8.297272      4.336681  
1 1 1 3   4  9  o 154.7297 1.633145  239.3855       5.052419  242.4684       7.251020  236.4763       7.043879  1.935379       3.266290  
1 1 1 3   4  10 o 348.9038 3.626706  1200.992       24.99866  1326.642       39.18021  1114.719       32.46575  30.31421       7.253412  
1 1 1 3   4  11 o 202.5262 2.118046  410.0233       8.574747  403.0704       11.89964  417.5330       12.36690  -3.568604      4.236092  
1 1 1 3   4  12 f 488.5880 5.074518  2373.348       49.29430  2541.321       74.73978  2244.023       65.58018  30.33929       10.14904  
1 1 1 3   4  13 o 465.7300 4.843287  2151.757       44.72119  2030.427       58.83384  2317.799       68.82569  -30.76147      9.686575  
1 1 1 3   4  14 o 424.2008 4.401366  1801.381       37.34123  1803.736       52.80541  1799.026       52.81154  0.5551453      8.802732  
1 1 1 3   4  15 o 461.6163 4.796476  2124.643       44.11485  2036.887       59.39038  2232.658       65.89030  -21.14307      9.592952  
1 1 1 3   4  16 o 568.5098 5.927056  3231.976       67.29364  3358.750       98.45216  3120.814       92.19124  20.84943       11.85411  
1 1 1 3   4  17 o 282.7421 2.942721  797.4568       16.59735  768.3986       22.52195  831.9949       24.55383  -11.23260      5.885441  
1 1 1 3   4  18 o 351.7497 5.171393  1238.911       36.36003  1217.507       50.41714  1262.108       52.48698  -6.312073      10.34279  
1 1 1 3   4  19 o 59.71210 1.029120  34.52909       1.202235  41.11637       1.965174  30.58912       1.519825  8.813660       2.058240  
1 1 1 3   4  20 o 175.7772 2.617437  307.7783       9.166464  294.2122       12.33400  324.5157       13.70002  -8.607803      5.234873  
1 1 1 3   4  21 o 122.5453 1.862338  150.0997       4.561133  146.9500       6.308283  153.5503       6.602610  -2.690857      3.724676  
1 1 1 3   4  22 o 148.9354 1.933490  222.0631       5.437209  222.3417       6.670486  221.5117       9.385827  0.3027039      3.866979  
1 1 1 3   4  23 o 102.3978 1.116575  104.6404       2.282634  108.6017       3.350496  101.2092       3.118263  3.608322       2.233150  
1 1 1 3   4  24 o 298.2972 3.105497  890.2554       18.50795  869.6439       25.49011  913.2383       26.91649  -7.279938      6.210994  
1 1 1 3   4  25 o 135.2884 1.444918  182.5268       3.899659  175.4571       5.292587  190.9234       5.767924  -5.711014      2.889836  
1 1 1 3   4  26 o 312.3393 3.253001  976.3621       20.29281  950.0792       27.83910  1006.160       29.64246  -8.930206      6.506002  
1 1 1 3   4  27 o 243.3652 2.542439  592.9584       12.37211  599.8712       17.71997  586.3833       17.28185  2.762482       5.084878  
1 1 1 3   4  28 o 178.9120 1.884105  320.0048       6.735298  328.2206       9.785331  312.6082       9.284677  4.355148       3.768210  
1 1 1 3   4  29 o 72.11192 0.8429283 51.63570       1.209468  55.61890       1.826255  48.52382       1.614200  4.917854       1.685857  
1 1 1 3   4  30 o 178.2730 1.879489  318.1236       6.701117  319.2357       9.512064  317.0278       9.441947  0.6179199      3.758979  
1 1 1 3   4  31 o 151.6374 1.612266  229.7031       4.882244  237.4631       7.143670  222.9017       6.687913  4.793350       3.224533  
1 1 1 3   4  32 o 103.9927 1.143881  108.0945       2.377387  105.7423       3.287695  110.6724       3.441866  -2.368233      2.287762  
1 1 1 3   4  33 o 82.54944 0.9451725 67.80842       1.554313  72.09766       2.326599  64.35104       2.088836  4.688820       1.890345  
1 1 1 3   4  34 f 127.4252 1.372813  162.4212       3.497061  159.5710       4.858797  165.4846       5.037208  -2.316391      2.745627  
1 1 1 3   4  35 o 160.3658 1.704059  256.9082       5.453298  247.8375       7.421042  267.5562       8.040395  -6.126526      3.408118  
1 1 1 3   4  36 o 60.99813 0.7651054 37.10549       0.9312429 38.88034       1.374797  35.60070       1.265887  2.686317       1.530211  
1 1 1 3   4  37 o 75.30122 0.8854395 56.44238       1.328866  53.34797       1.790577  60.23632       1.982669  -4.568840      1.770879  
1 1 1 3   4  38 o 89.61049 1.014560  80.32401       1.817264  81.93111       2.623742  78.84216       2.519430  1.719978       2.029119  
1 1 1 3   4  39 o 78.13065 0.9142095 61.09700       1.428473  61.47422       2.033345  60.72942       2.007238  0.4757004      1.828419  
1 1 1 3   4  40 o 199.7000 2.597418  401.4295       9.751198  399.8506       11.90128  404.6545       17.00866  -0.6106720     5.194837  
1 1 1 3   4  41 o 45.94743 0.9405478 21.13531       0.8642427 21.51921       1.229226  20.76005       1.215340  0.8254662      1.881096  
1 1 1 3   4  42 o 125.1896 1.762144  156.3019       4.279566  162.2238       7.016429  152.7937       5.400415  3.612625       3.524289  
1 1 1 3   4  43 o 100.2292 1.122886  100.6618       2.250632  101.4923       3.213572  99.86222       3.153040  0.8090820      2.245773  
1 1 1 3   4  44 f 85.25278 0.9883265 72.72076       1.683552  70.62233       2.320127  75.05444       2.446717  -2.590591      1.976653  
1 1 1 3   4  45 o 47.71728 1.033330  22.68902       0.9826282 20.25825       1.337736  25.53745       1.448109  -5.523094      2.066661  
1 1 1 3   4  46 o 12.17944 1.221458  1.495963       0.2850742 1.928747       0.4243059 1.139865       0.3848827 3.377638       2.442916  
1 1 1 3   4  47 o 22.14810 0.8111455 4.882130       0.3580157 5.310238       0.5346115 4.534026       0.4820757 1.748081       1.622291  
1 1 1 3   4  48 o 38.78486 0.9495844 14.80326       0.7071020 16.06702       1.200338  14.13165       0.8750499 2.462254       1.899169  
1 1 1 3   4  49 o 36.89373 1.066263  13.59328       0.7803394 14.19040       1.192354  13.14592       1.032054  1.395393       2.132526  
1 1 1 3   4  50 o 46.54310 0.7434498 21.68468       0.6916839 22.43035       0.9978883 20.99512       0.9596117 1.538109       1.486900  
1 1 1 3   4  51 o 36.81315 0.7372358 13.58593       0.5425719 13.33174       0.7737613 13.83181       0.7610223 -0.6804886     1.474472  
1 1 1 3   4  52 o 75.84151 0.9352597 57.71528       1.418458  56.94976       1.987196  58.51048       2.025355  -1.023720      1.870519  
1 1 1 3   4  53 o 64.05840 0.8535206 40.99299       1.090626  38.79058       1.478202  43.62421       1.615712  -3.753803      1.707041  
1 1 1 3   4  54 o 35.17235 0.7729519 12.37276       0.5427991 11.43715       0.7472550 13.41786       0.7897764 -2.809929      1.545904  
1 1 1 3   4  55 o 16.02628 1.207182  2.577353       0.3848855 2.227641       0.5277601 2.974651       0.5625220 -2.322932      2.414363  
1 1 1 3   4  56 o 7.552655 1.735433  0.3657567      0.3585962 -0.2326283     0.4895178 1.058746       0.5267947 -4.912109      3.470866  
1 1 1 3   4  57 o 11.31860 1.704621  1.320198       0.3835824 0.9236516      0.5228257 1.782487       0.5645033 -3.875551      3.409242  
1 1 1 3   4  58 o 43.66905 0.9378299 19.17639       0.7910032 19.18083       1.299521  19.17377       0.9969673 -0.5564117E-01 1.875660  
1 1 1 3   4  59 f 57.68612 1.194493  33.62586       1.376836  35.43582       1.953987  31.84105       1.940365  3.111717       2.388986  
1 1 1 3   4  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   5  0  o 192.0443 2.444343  371.8760       8.977942  379.0083       11.22456  359.2097       14.95819  5.188385       4.888686  
1 1 1 3   5  1  o 258.2286 3.807593  661.8141       19.51624  622.0058       25.77374  715.3152       29.87944  -18.00870      7.615186  
1 1 1 3   5  2  f 155.6762 2.316305  240.9968       7.174295  228.8324       9.578708  256.5404       10.82768  -8.888443      4.632610  
1 1 1 3   5  3  o 384.5210 5.658722  1483.546       43.51766  1482.556       61.42165  1484.544       61.66559  -0.2533875     11.31744  
1 1 1 3   5  4  o 158.7119 2.027712  254.4023       6.178168  243.2533       10.17869  260.9057       7.773978  -5.578873      4.055423  
1 1 1 3   5  5  o 363.3848 3.797441  1308.591       27.35176  1225.958       35.92478  1422.550       42.18823  -26.96454      7.594882  
1 1 1 3   5  6  o 321.5531 3.874471  1023.124       24.63643  958.8403       32.11671  1115.030       38.40208  -24.20395      7.748942  
1 1 1 3   5  7  o 402.5651 4.193216  1622.715       33.75004  1635.898       48.42738  1610.266       47.06146  3.166016       8.386432  
1 1 1 3   5  8  o 333.0278 3.460477  1110.038       23.04840  1113.691       32.69781  1106.430       32.49387  1.088348       6.920955  
1 1 1 3   5  9  o 254.0085 2.670427  644.8771       13.55511  659.8712       19.65102  631.2667       18.72232  5.625153       5.340854  
1 1 1 3   5  10 o 142.7567 1.512431  203.7083       4.316280  200.2791       5.997710  207.3923       6.216449  -2.490723      3.024862  
1 1 1 3   5  11 o 512.4524 5.327507  2624.408       54.51147  2539.805       74.55087  2721.610       79.90952  -17.68655      10.65501  
1 1 1 3   5  12 o 462.6931 6.792778  2141.855       62.74739  2212.921       92.06315  2080.203       85.74932  14.26224       13.58556  
1 1 1 3   5  13 o 506.7541 5.775258  2534.217       56.71429  2424.896       71.13643  2724.919       93.95461  -29.34787      11.55052  
1 1 1 3   5  14 o 107.0710 1.164192  113.6762       2.476149  106.8206       3.280197  122.7579       3.775395  -7.441238      2.328384  
1 1 1 3   5  15 o 345.8251 4.386526  1201.660       28.79387  1183.288       49.00611  1211.346       35.58387  -4.175140      8.773051  
1 1 1 3   5  16 f 146.2524 2.197731  211.3346       6.361238  197.0264       8.308940  231.5979       9.887996  -11.81139      4.395463  
1 1 1 3   5  17 o 527.6531 7.755430  2794.249       81.79792  2745.869       113.4423  2846.643       118.0550  -9.459778      15.51086  
1 1 1 3   5  18 o 209.4428 3.101554  438.5788       12.98147  429.1960       17.93216  448.9102       18.81692  -4.698639      6.203108  
1 1 1 3   5  19 o 191.3453 2.474062  362.3017       8.772954  355.8190       10.53130  377.0009       15.85804  -5.493607      4.948123  
1 1 1 3   5  20 o 231.0243 2.413398  533.9296       11.14911  540.0679       15.94851  528.0627       15.59197  2.595062       4.826795  
1 1 1 3   5  21 o 203.7545 2.144821  412.9816       8.695738  438.3232       13.11139  393.0817       11.61872  11.08803       4.289643  
1 1 1 3   5  22 o 480.1754 4.994202  2307.327       47.83984  2401.169       70.72029  2228.155       64.95793  17.87122       9.988404  
1 1 1 3   5  23 o 232.7824 2.433494  542.1744       11.32554  534.5192       15.76957  550.3289       16.27589  -3.388779      4.866987  
1 1 1 3   5  24 o 144.1227 1.530729  207.7952       4.412077  206.6715       6.206202  208.9435       6.273582  -0.7875214     3.061458  
1 1 1 3   5  25 o 176.5135 1.858870  311.4457       6.555766  319.5416       9.529266  304.1709       9.033123  4.346725       3.717741  
1 1 1 3   5  26 f 102.4613 1.121041  104.8827       2.294991  107.8026       3.336221  102.2598       3.161998  2.703239       2.242082  
1 1 1 3   5  27 o 215.8025 2.260272  465.6389       9.744627  478.4187       14.18613  454.2215       13.40868  5.592361       4.520544  
1 1 1 3   5  28 o 117.9948 1.276815  139.2049       3.011821  141.8361       4.337857  136.7559       4.184972  2.151016       2.553631  
1 1 1 3   5  29 o 61.22467 0.7571700 36.03416       0.9034749 44.08532       1.497830  31.42950       1.132745  10.33294       1.514340  
1 1 1 3   5  30 o 143.0861 1.524963  204.7412       4.361663  200.9758       6.049952  208.8164       6.293928  -2.735916      3.049927  
1 1 1 3   5  31 o 244.8936 2.563765  599.4268       12.52917  578.9031       17.05304  623.5013       18.46944  -9.064392      5.127531  
1 1 1 3   5  32 o 157.4160 1.670533  247.2688       5.245588  237.9256       7.116118  258.3872       7.762752  -6.485275      3.341066  
1 1 1 3   5  33 o 205.6082 2.160546  423.3194       8.879230  415.5723       12.30568  431.7338       12.82465  -3.912735      4.321093  
1 1 1 3   5  34 o 68.42062 0.8226732 46.11025       1.113792  51.70751       1.735842  42.19311       1.452136  6.948799       1.645346  
1 1 1 3   5  35 o 50.10055 0.6886396 25.07195       0.6895147 24.12118       0.9533949 26.11460       0.9984034 -1.988743      1.377279  
1 1 1 3   5  36 o 65.77403 0.8027880 43.26773       1.055707  43.82380       1.516088  42.74431       1.470926  0.8196793      1.605576  
1 1 1 3   5  37 o 155.1831 1.653790  241.3105       5.131118  244.8550       7.370473  237.9772       7.147649  2.204422       3.307580  
1 1 1 3   5  38 o 39.72580 0.6450127 15.69619       0.5109619 14.33201       0.6937073 17.31401       0.7554532 -3.751846      1.290025  
1 1 1 3   5  39 o 137.7679 1.482758  189.2975       4.068047  180.1126       5.458076  200.7766       6.101764  -7.458847      2.965515  
1 1 1 3   5  40 o 29.50169 0.6426015 8.630003       0.3774397 9.736156       0.5648369 7.737583       0.5073409 3.385508       1.285203  
1 1 1 3   5  41 o 104.5918 1.160949  109.5879       2.428187  108.3703       3.400066  110.8553       3.468918  -1.183823      2.321898  
1 1 1 3   5  42 o 15.63344 1.178184  2.445190       0.3592336 1.771079       0.4887983 3.236936       0.5297331 -4.685602      2.356367  
1 1 1 3   5  43 o 112.2639 1.745023  126.6777       3.916898  128.6923       5.622866  124.7784       5.459408  1.724892       3.490045  
1 1 1 3   5  44 o 42.72057 0.9353051 18.28261       0.7989994 18.31035       1.120132  18.25387       1.140043  0.6741333E-01  1.870610  
1 1 1 3   5  45 o 95.02732 1.178433  90.77085       2.218244  89.19675       3.362833  91.98335       2.951419  -1.504791      2.356866  
1 1 1 3   5  46 o 40.20271 0.8846912 16.54698       0.6607575 15.21858       1.151263  17.19952       0.8068879 -2.489986      1.769382  
1 1 1 3   5  47 o 36.75649 1.029468  13.56905       0.7551687 12.52330       1.066371  14.62110       1.069576  -2.853298      2.058937  
1 1 1 3   5  48 f 15.24837 1.130471  2.306881       0.3375717 1.716613       0.4526989 3.046192       0.5066391 -4.353201      2.260942  
1 1 1 3   5  49 o 24.99674 0.7621942 6.225759       0.3798093 6.699278       0.5657164 5.837162       0.5124832 1.719547       1.524388  
1 1 1 3   5  50 o 23.74236 0.8029867 5.575283       0.3786549 6.522929       0.5730797 4.840995       0.5044578 3.534718       1.605973  
1 1 1 3   5  51 o 46.42846 0.7424046 21.59983       0.6892249 21.74400       0.9863878 21.46229       0.9634395 0.3010063      1.484809  
1 1 1 3   5  52 o 13.87701 1.269145  1.936383       0.3454838 1.464457       0.4725222 2.478432       0.5064123 -3.647221      2.538291  
1 1 1 3   5  53 o 25.95402 0.8261552 6.745543       0.4281075 7.327329       0.6188381 6.211564       0.5928676 2.145901       1.652310  
1 1 1 3   5  54 o 41.74284 0.7686775 17.44713       0.6411945 16.59731       0.8869756 18.37736       0.9279861 -2.126602      1.537355  
1 1 1 3   5  55 o 18.28742 1.099956  3.371825       0.3974279 2.719477       0.5508456 4.080076       0.5739627 -3.715328      2.199912  
1 1 1 3   5  56 f 44.19104 0.7806086 19.54542       0.6890097 20.67436       1.005652  18.54665       0.9459036 2.398033       1.561217  
1 1 1 3   5  57 o 15.59953 1.346476  2.485272       0.4119622 1.914902       0.5779414 3.074422       0.5873784 -3.713748      2.692952  
1 1 1 3   5  58 o 16.63029 1.704576  2.802442       0.5498121 2.754692       0.6948254 2.882417       0.8992171 -0.3041267     3.409153  
1 1 1 3   5  59 o 24.95768 1.295387  6.162336       0.6354209 5.594060       0.8127520 7.055800       1.019100  -2.861044      2.590775  
1 1 1 3   5  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   6  0  o 344.0692 3.593592  1182.894       24.67947  1148.052       33.66439  1223.376       36.28708  -10.91165      7.187184  
1 1 1 3   6  1  o 67.76801 0.7728652 45.03628       1.032689  40.97181       1.331727  51.16675       1.635536  -7.521095      1.545730  
1 1 1 3   6  2  o 423.0088 4.412400  1772.899       36.97583  1657.541       48.46690  1933.536       57.19334  -32.48572      8.824800  
1 1 1 3   6  3  o 357.8343 4.648852  1233.582       29.69383  1177.576       34.50770  1393.362       58.28579  -29.77542      9.297705  
1 1 1 3   6  4  o 306.7094 4.535304  940.4926       27.78128  979.2673       40.62528  906.4318       38.07585  11.83588       9.070608  
1 1 1 3   6  5  o 234.9269 3.465400  552.3851       16.27998  547.8335       22.79576  557.1231       23.25792  -1.972321      6.930800  
1 1 1 3   6  6  f 267.1979 3.932386  713.2332       20.97506  738.7640       30.81106  691.1815       28.63479  8.881317       7.864771  
1 1 1 3   6  7  o 370.4505 5.441449  1370.703       40.20554  1430.275       59.54331  1320.780       54.50820  14.71564       10.88290  
1 1 1 3   6  8  o 294.4698 3.716458  879.6521       21.15589  819.3172       34.02371  917.6841       27.01290  -16.75430      7.432917  
1 1 1 3   6  9  o 457.2558 4.753052  2092.622       43.45555  2121.539       62.32919  2065.271       60.61740  6.137787       9.506104  
1 1 1 3   6  10 o 404.4265 4.200648  1630.273       33.85723  1714.984       50.48353  1561.025       45.64408  18.99719       8.401297  
1 1 1 3   6  11 o 438.0004 6.447724  1869.224       55.05851  1701.058       69.26087  2157.951       90.75334  -51.89590      12.89545  
1 1 1 3   6  12 o 530.5098 6.782681  2817.107       67.74113  2834.644       117.8547  2808.454       82.78233  2.012268       13.56536  
1 1 1 3   6  13 o 133.8239 2.018086  178.6180       5.388197  172.2705       7.320706  186.1216       7.959425  -5.172577      4.036172  
1 1 1 3   6  14 o 413.7191 6.076046  1706.631       50.05576  1804.116       75.09992  1628.704       67.14520  21.10071       12.15209  
1 1 1 3   6  15 o 172.3067 2.565540  296.8998       8.838224  292.7177       12.30947  301.3501       12.69785  -2.502762      5.131079  
1 1 1 3   6  16 o 101.6188 1.369864  101.9972       2.580806  99.93839       3.097474  106.6714       4.667120  -3.307655      2.739727  
1 1 1 3   6  17 o 299.1050 3.111446  894.7711       18.60316  911.1498       26.83469  879.6161       25.81273  5.262573       6.222892  
1 1 1 3   6  18 o 391.1707 4.706623  1524.793       36.65568  1617.404       55.06482  1451.097       49.12081  21.17084       9.413246  
1 1 1 3   6  19 o 395.0805 4.102414  1563.322       32.41155  1550.488       45.40756  1576.653       46.27857  -3.298615      8.204828  
1 1 1 3   6  20 o 198.9886 2.085895  395.9520       8.297606  389.4335       11.52788  402.9601       11.95282  -3.395142      4.171790  
1 1 1 3   6  21 o 125.9179 1.350212  156.5591       3.364752  172.2697       5.232374  145.4813       4.393703  10.63180       2.700425  
1 1 1 3   6  22 o 264.4625 2.758010  697.6992       14.54265  670.1410       19.66314  730.9746       21.60682  -11.47208      5.516021  
1 1 1 3   6  23 o 228.2509 2.387673  521.4500       10.89859  525.7715       15.55057  517.2780       15.27888  1.856461       4.775346  
1 1 1 3   6  24 o 323.8742 3.371649  1049.878       21.81145  1022.308       29.94802  1081.022       31.83004  -9.017029      6.743298  
1 1 1 3   6  25 o 50.81688 0.6605474 25.61360       0.6676901 27.83330       1.010594  23.89407       0.8894731 3.875263       1.321095  
1 1 1 3   6  26 o 182.9679 1.925276  334.7246       7.039611  342.6550       10.20362  327.5212       9.724665  4.128479       3.850552  
1 1 1 3   6  27 f 128.4203 1.377112  164.9923       3.536968  165.1002       5.010327  164.8851       4.993770  0.8355713E-01  2.754225  
1 1 1 3   6  28 o 54.66764 0.6999611 29.73701       0.7629188 28.03319       1.030348  31.80489       1.135103  -3.448994      1.399922  
1 1 1 3   6  29 o 154.9067 1.646515  239.8380       5.095528  246.3588       7.416787  234.0087       7.012524  3.979706       3.293030  
1 1 1 3   6  30 f 184.6900 1.944937  340.4281       7.164960  355.5373       10.60758  327.7506       9.716525  7.503601       3.889874  
1 1 1 3   6  31 o 89.00909 1.001292  78.90591       1.776753  75.17653       2.398966  83.43720       2.644334  -4.637421      2.002584  
1 1 1 3   6  32 o 122.2295 1.322322  148.8750       3.221616  142.3149       4.346428  156.8733       4.799263  -5.946823      2.644644  
1 1 1 3   6  33 f 119.2312 1.293166  142.2579       3.083548  143.3492       4.388777  141.1941       4.333342  0.9025803      2.586333  
1 1 1 3   6  34 o 125.7553 1.357405  158.2217       3.412606  155.6063       4.744711  161.0248       4.911938  -2.149994      2.714809  
1 1 1 3   6  35 o 130.0971 1.400734  169.4681       3.644601  168.9874       5.141935  169.9534       5.166642  -0.3704681     2.801468  
1 1 1 3   6  36 o 30.05442 0.6312457 9.034800       0.3792675 8.674692       0.5331523 9.403718       0.5396371 -1.212729      1.262491  
1 1 1 3   6  37 o 61.60664 0.7724583 37.54590       0.9446611 41.44841       1.447926  34.65368       1.246494  5.509457       1.544917  
1 1 1 3   6  38 o 49.00419 0.6880974 24.01658       0.6742541 23.40533       0.9434017 24.65483       0.9640107 -1.274368      1.376195  
1 1 1 3   6  39 o 76.27609 0.8969709 58.20877       1.367722  59.20095       1.970194  57.28584       1.900205  1.252586       1.793942  
1 1 1 3   6  40 o 71.74973 0.8603312 51.48307       1.233651  52.74019       1.786715  50.33776       1.705414  1.670815       1.720662  
1 1 1 3   6  41 o 83.49472 0.9653149 69.68295       1.609970  67.35573       2.210653  72.31136       2.349356  -2.960495      1.930630  
1 1 1 3   6  42 o 18.75834 0.7788259 3.535445       0.2909442 3.195436       0.4147528 3.864857       0.4082390 -1.784618      1.557652  
1 1 1 3   6  43 o 65.18445 0.8146967 42.54499       1.062101  42.31203       1.501616  42.77822       1.502459  -0.3575363     1.629393  
1 1 1 3   6  44 o 85.99638 1.252955  71.06575       1.922136  81.12434       3.784761  67.56968       2.231310  7.743958       2.505909  
1 1 1 3   6  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   6  46 o 95.68443 2.164720  92.12034       4.142601  92.12034       4.142601  ?              ?         ?              ?         
1 1 1 3   6  47 o 78.80788 1.142646  62.16935       1.700087  62.88445       2.944467  61.81173       2.082233  0.5789108      2.285293  
1 1 1 3   6  48 o 58.33695 0.7906404 34.04605       0.9214205 35.18640       1.342548  33.03059       1.266910  1.840965       1.581281  
1 1 1 3   6  49 o 38.48016 0.7094292 14.80872       0.5451916 13.73096       0.7556745 15.97869       0.7873343 -2.917839      1.418858  
1 1 1 3   6  50 o 8.428466 1.604856  0.7062644      0.2865255 1.061647       0.4313093 0.4255412      0.3833362 3.266432       3.209713  
1 1 1 3   6  51 o 44.06757 0.7313791 19.43343       0.6437833 19.99593       0.9391246 18.93474       0.8842458 1.198288       1.462758  
1 1 1 3   6  52 o 36.83231 0.7347288 13.54238       0.5398813 14.36821       0.7988310 12.84802       0.7324903 2.056293       1.469458  
1 1 1 3   6  53 o 30.45412 0.8640702 9.437647       0.5189783 10.61679       0.7100679 8.085393       0.7604079 4.163540       1.728140  
1 1 1 3   6  54 o 37.86759 0.7696965 14.36919       0.5826223 13.75592       0.8113078 15.02224       0.8372073 -1.668510      1.539393  
1 1 1 3   6  55 o 70.25606 0.9093893 49.36428       1.274059  52.37249       1.892218  46.86946       1.723202  3.886650       1.818779  
1 1 1 3   6  56 o 7.086799 1.642058  0.1588988      0.3662975 1.028678       0.5048929 -0.8076311     0.5322338 5.553447       3.284117  
1 1 1 3   6  57 o 31.36045 0.8731112 9.849253       0.5459863 10.28056       0.8102047 9.490437       0.7389832 1.246050       1.746222  
1 1 1 3   6  58 f 36.26920 1.112064  13.14523       0.7970736 12.54092       1.039668  14.00687       1.241448  -1.967857      2.224128  
1 1 1 3   6  59 o 26.49627 1.254134  7.028105       0.6557559 6.695662       0.8518944 7.511538       1.027297  -1.485432      2.508268  
1 1 1 3   7  0  o 433.6711 4.535952  1863.859       38.96885  1747.696       51.09166  2025.429       60.25578  -31.89624      9.071903  
1 1 1 3   7  1  o 176.3429 1.851104  311.0541       6.528553  310.4709       9.216666  311.6414       9.248957  -0.3316956     3.702208  
1 1 1 3   7  2  o 442.5248 4.613213  1959.952       40.78888  1927.806       56.25816  1995.577       59.22445  -7.619537      9.226426  
1 1 1 3   7  3  o 202.3011 2.118640  408.7037       8.559934  421.7106       12.51065  397.2549       11.73746  6.040176       4.237280  
1 1 1 3   7  4  o 520.7318 5.424877  2639.674       55.01491  2402.993       69.07398  3050.287       90.98088  -61.87085      10.84975  
1 1 1 3   7  5  o 505.4623 5.261827  2536.741       52.77167  2392.544       69.61509  2731.544       80.91367  -33.40573      10.52365  
1 1 1 3   7  6  o 456.7388 4.753995  2071.822       43.11840  1956.262       57.06810  2225.553       65.82172  -29.39774      9.507991  
1 1 1 3   7  7  o 251.8000 3.239823  624.8831       15.03955  610.4658       17.95671  658.7619       27.52635  -9.533447      6.479646  
1 1 1 3   7  8  o 420.7253 6.204253  1773.127       52.19765  1801.131       74.62519  1746.302       73.03766  6.498077       12.40851  
1 1 1 3   7  9  o 320.2977 6.652833  0.000000       0.000000  ?              ?         1027.098       42.61774  ?              ?         
1 1 1 3   7  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   7  11 o 37.52898 1.131019  0.000000       0.000000  ?              ?         14.08475       0.8489197 ?              ?         
1 1 1 3   7  12 o 269.0746 3.964988  723.3506       21.30526  702.4219       29.18414  747.2316       31.17464  -8.310883      7.929975  
1 1 1 3   7  13 o 454.4686 5.806148  2052.235       49.10671  2023.048       59.21524  2116.512       87.87638  -9.942719      11.61230  
1 1 1 3   7  14 o 351.4634 3.650932  1234.690       25.63555  1269.556       37.31165  1203.513       35.28175  9.378754       7.301865  
1 1 1 3   7  15 o 328.2043 3.412960  1077.801       22.39854  1090.886       32.06269  1065.327       31.30358  3.887360       6.825921  
1 1 1 3   7  16 o 231.8804 2.420310  536.4946       11.19858  518.0901       15.23166  558.1473       16.52119  -8.628815      4.840621  
1 1 1 3   7  17 f 399.2873 4.148454  1594.268       33.08703  1550.826       45.44684  1643.263       48.26442  -11.53903      8.296907  
1 1 1 3   7  18 o 257.4075 2.684040  661.0937       13.78276  637.1371       18.71116  689.5112       20.37900  -10.15749      5.368080  
1 1 1 3   7  19 o 59.28403 0.7243022 35.11518       0.8582541 34.25848       1.188382  36.04914       1.240825  -1.510082      1.448604  
1 1 1 3   7  20 o 233.4812 2.439060  544.4009       11.36881  527.3854       15.52781  564.0613       16.69098  -7.840729      4.878120  
1 1 1 3   7  21 o 182.0525 1.914883  329.6742       6.937666  313.3821       9.275378  350.3637       10.45243  -10.14481      3.829766  
1 1 1 3   7  22 f 179.5778 1.888958  322.6637       6.784000  320.9414       9.540371  324.4253       9.648593  -0.9687500     3.777916  
1 1 1 3   7  23 o 137.1897 1.464685  186.1460       3.980715  173.7516       5.217055  203.4175       6.158518  -10.80211      2.929370  
1 1 1 3   7  24 o 42.40737 0.6210496 17.97873       0.5265521 18.22182       0.7567555 17.75059       0.7331210 0.5554848      1.242099  
1 1 1 3   7  25 o 39.37361 0.5960686 15.15593       0.4637520 17.92678       0.7272539 13.25710       0.6020367 5.929375       1.192137  
1 1 1 3   7  26 f 30.95927 0.5956668 9.545782       0.3680602 10.29002       0.5413556 8.906044       0.5019110 2.234970       1.191334  
1 1 1 3   7  27 o 162.7855 1.721363  264.4395       5.590837  275.5581       8.255874  255.0216       7.598273  6.297684       3.442727  
1 1 1 3   7  28 o 143.2834 1.526183  205.3698       4.372439  208.0130       6.268163  202.8645       6.102297  1.794189       3.052367  
1 1 1 3   7  29 o 87.86526 1.000234  77.18839       1.757081  78.56747       2.526407  75.89638       2.445351  1.519135       2.000469  
1 1 1 3   7  30 o 96.24425 1.068549  92.48892       2.053952  89.54668       2.815872  95.83424       3.002559  -3.264183      2.137098  
1 1 1 3   7  31 o 108.5005 1.186486  117.4594       2.569235  113.0807       3.498609  122.5847       3.785183  -4.375259      2.372972  
1 1 1 3   7  32 o 87.10589 0.9865562 75.84148       1.717672  74.10486       2.379645  77.73056       2.481891  -2.079636      1.973112  
1 1 1 3   7  33 o 70.36467 0.8416085 49.52971       1.184352  49.45364       1.680995  49.60468       1.668923  -0.1075058     1.683217  
1 1 1 3   7  34 o 128.5138 1.385419  165.0410       3.555298  170.6497       5.206120  160.1393       4.866905  4.079002       2.770839  
1 1 1 3   7  35 o 35.22089 0.6260812 12.40196       0.4408549 12.63880       0.6341866 12.18049       0.6132655 0.6502953      1.252162  
1 1 1 3   7  36 o 153.3210 1.634490  235.4070       5.008160  240.8770       7.255600  230.4292       6.921427  3.390228       3.268981  
1 1 1 3   7  37 o 101.1319 1.121706  102.3974       2.268754  101.8656       3.195354  102.9380       3.221813  -0.5292053     2.243413  
1 1 1 3   7  38 o 16.06992 0.8486397 2.611257       0.2627521 1.765932       0.3614559 3.558481       0.3826220 -5.576621      1.697279  
1 1 1 3   7  39 o 76.08954 0.8982509 57.93730       1.366539  58.70280       1.961419  57.21523       1.904972  0.9751968      1.796502  
1 1 1 3   7  40 o 110.6147 1.218825  122.4820       2.694001  125.6423       3.910266  119.6266       3.716872  2.707283       2.437649  
1 1 1 3   7  41 o 22.80753 0.8100511 5.097227       0.3586381 5.652195       0.5948789 4.780345       0.4495142 1.904902       1.620102  
1 1 1 3   7  42 o 18.96899 1.078131  3.638280       0.3470647 3.543409       0.7102302 3.668041       0.3977949 -0.3483315     2.156263  
1 1 1 3   7  43 o 58.08746 1.112756  33.77847       1.291768  32.10733       1.791933  35.58644       1.863860  -2.989098      2.225512  
1 1 1 3   7  44 o 34.28191 0.8577753 11.81107       0.5479411 11.88188       0.6647454 11.66099       0.9677997 0.3416901      1.715551  
1 1 1 3   7  45 o 85.22406 0.9946229 72.79547       1.695082  73.40720       2.421160  72.20736       2.373952  0.6998901      1.989246  
1 1 1 3   7  46 o 54.59606 0.7579305 29.66192       0.8242326 31.98056       1.235691  27.80346       1.106295  3.815712       1.515861  
1 1 1 3   7  47 f 35.35602 0.8769148 12.59051       0.6162077 13.20417       0.8390759 11.87206       0.9078843 1.890236       1.753830  
1 1 1 3   7  48 o 54.31610 1.043518  29.52826       1.131971  31.19922       1.655311  28.06045       1.551431  2.876633       2.087037  
1 1 1 3   7  49 o 66.35597 1.020327  44.50052       1.297291  43.12903       2.153737  45.28146       1.625196  -1.690903      2.040654  
1 1 1 3   7  50 o 76.25778 0.9328960 58.27753       1.421273  59.79086       2.068052  56.92300       1.956547  1.866150       1.865792  
1 1 1 3   7  51 o 46.20197 0.7427371 21.38793       0.6858278 21.57163       0.9906467 21.21885       0.9504175 0.3774147      1.485474  
1 1 1 3   7  52 o 19.11308 0.9389708 3.565888       0.3526392 4.671723       0.5480386 2.784515       0.4606757 4.923994       1.877942  
1 1 1 3   7  53 o 48.27105 0.7689604 23.21531       0.7398815 21.07681       1.001891  25.78055       1.097308  -4.859306      1.537921  
1 1 1 3   7  54 f 12.50994 1.445713  1.669067       0.3394165 1.167063       0.4945395 2.116115       0.4666855 -3.978145      2.891426  
1 1 1 3   7  55 o 40.98491 0.8895689 16.82967       0.7275299 16.27776       0.9900466 17.47754       1.072679  -1.449081      1.779138  
1 1 1 3   7  56 o 40.14806 0.9126552 16.00501       0.7085893 16.96340       1.176316  15.45919       0.8877235 1.815678       1.825310  
1 1 1 3   7  57 o 28.14006 1.045077  7.936020       0.5861353 8.406032       0.8740567 7.551943       0.7901244 1.497993       2.090155  
1 1 1 3   7  58 o 12.87213 1.963293  1.589896       0.5299435 0.6006075      0.6857055 3.057172       0.8350879 -8.876033      3.926586  
1 1 1 3   7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   8  0  f 303.4057 3.164881  918.6918       19.16629  957.3852       28.20517  885.4960       26.12469  11.83340       6.329762  
1 1 1 3   8  1  f 371.6637 3.869386  1381.707       28.74920  1408.381       41.41687  1356.902       39.93844  6.913910       7.738771  
1 1 1 3   8  2  o 432.4259 4.500872  1853.862       38.60344  1740.377       50.83340  2008.477       59.33413  -30.92444      9.001743  
1 1 1 3   8  3  o 338.4991 3.522392  1140.950       23.74987  1088.058       31.91021  1206.633       35.56026  -17.49048      7.044784  
1 1 1 3   8  4  o 603.6371 6.797003  3660.511       81.80274  3535.295       119.2743  3771.719       112.4042  -19.66937      13.59401  
1 1 1 3   8  5  o 520.7434 5.454393  2699.400       56.54369  2555.041       75.69188  2881.679       85.05414  -31.26947      10.90879  
1 1 1 3   8  6  o 328.0535 4.173062  1079.436       25.90284  1070.121       44.45244  1084.225       31.87333  -2.244446      8.346124  
1 1 1 3   8  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   8  8  f 238.8773 3.525354  570.6046       16.83231  582.0561       24.31669  560.0695       23.32335  4.595337       7.050707  
1 1 1 3   8  9  f 230.1740 3.402546  530.1310       15.66338  528.0540       22.08862  532.2318       22.21466  -0.9066925     6.805091  
1 1 1 3   8  10 o 389.3256 5.723082  1517.137       44.56284  1517.137       44.56284  ?              ?         ?              ?         
1 1 1 3   8  11 o 450.0131 6.625247  1988.434       58.58068  2249.075       93.95155  1822.649       74.92982  47.12247       13.25049  
1 1 1 3   8  12 o 318.9715 4.726119  989.9089       29.31928  904.1133       36.73847  1140.393       48.65575  -36.91605      9.452237  
1 1 1 3   8  13 o 254.2932 3.753329  646.1589       19.06417  667.9283       27.83043  626.9126       26.16794  8.049942       7.506658  
1 1 1 3   8  14 o 185.4234 2.412467  336.2671       8.169584  362.7716       15.28244  325.6625       9.666749  9.971924       4.824934  
1 1 1 3   8  15 o 402.6728 5.167214  1600.496       38.32941  1687.548       70.23920  1563.580       45.74014  15.03717       10.33443  
1 1 1 3   8  16 o 430.0467 4.463003  1852.110       38.37511  1828.692       53.51481  1876.899       55.05938  -5.582947      8.926006  
1 1 1 3   8  17 o 106.6617 1.647485  111.4535       3.456388  126.4839       5.524201  101.7841       4.430820  11.57201       3.294969  
1 1 1 3   8  18 o 390.9068 4.063758  1526.469       31.69043  1592.651       46.85756  1470.679       43.02180  15.53629       8.127517  
1 1 1 3   8  19 o 75.90142 0.8729011 57.55589       1.324150  59.16307       1.917136  56.08975       1.831088  2.024185       1.745802  
1 1 1 3   8  20 o 330.2782 3.434428  1092.736       22.68552  1087.758       31.92105  1097.816       32.24575  -1.516754      6.868855  
1 1 1 3   8  21 o 483.4948 5.028679  2347.342       48.61786  2371.546       69.55454  2324.219       67.98440  4.846405       10.05736  
1 1 1 3   8  22 o 231.4726 2.421219  535.3670       11.19010  553.8323       16.40379  519.2952       15.30380  7.441452       4.842438  
1 1 1 3   8  23 o 227.9298 2.384437  519.5410       10.85829  506.9127       14.95153  533.6343       15.79506  -5.845734      4.768874  
1 1 1 3   8  24 o 195.1542 2.049268  381.1880       7.998100  383.2401       11.37633  379.1823       11.24682  1.037537       4.098536  
1 1 1 3   8  25 f 48.68016 0.6563110 23.66871       0.6383883 24.39294       0.9275317 23.01683       0.8799790 1.413170       1.312622  
1 1 1 3   8  26 o 144.1400 1.536881  206.3988       4.403634  220.8899       6.682692  195.2770       5.854518  8.873489       3.073763  
1 1 1 3   8  27 o 150.8683 1.603771  227.7662       4.839149  227.2561       6.833605  228.2793       6.853618  -0.3388214     3.207542  
1 1 1 3   8  28 o 269.2267 2.810613  724.6744       15.10106  700.4584       20.56304  753.0231       22.24865  -9.713257      5.621227  
1 1 1 3   8  29 o 275.1976 2.873164  758.9371       15.80694  771.4023       22.75688  747.3165       21.97251  4.350952       5.746328  
1 1 1 3   8  30 o 85.71693 1.081535  67.90231       1.703537  60.39835       1.997786  87.89729       3.261103  -16.02359      2.163069  
1 1 1 3   8  31 o 46.94878 0.6726121 21.92900       0.6297995 20.44749       0.8529705 23.70480       0.9338574 -3.468193      1.345224  
1 1 1 3   8  32 o 227.3052 2.383729  518.0423       10.83664  517.0910       15.29890  519.0002       15.35187  -0.4179077     4.767457  
1 1 1 3   8  33 f 138.3689 1.483812  190.4193       4.083050  203.2993       6.180147  180.4426       5.439172  8.237137       2.967624  
1 1 1 3   8  34 o 189.7498 2.002734  360.7959       7.596433  367.4041       10.95571  354.6771       10.54218  3.334091       4.005467  
1 1 1 3   8  35 o 131.3478 1.414899  172.4676       3.710911  178.4331       5.435921  167.2611       5.078349  4.238342       2.829798  
1 1 1 3   8  36 o 77.83569 0.9062653 60.58198       1.409870  61.91326       2.038733  59.36179       1.951820  1.636398       1.812531  
1 1 1 3   8  37 o 54.92877 0.7296225 30.10120       0.8003297 28.55144       1.096008  31.87160       1.171427  -3.020180      1.459245  
1 1 1 3   8  38 o 73.44535 0.8714416 53.91542       1.278594  55.55672       1.862818  52.45341       1.758131  2.108597       1.742883  
1 1 1 3   8  39 o 69.84622 0.8452793 48.82953       1.180710  49.04920       1.681188  48.61573       1.658593  0.3093948      1.690559  
1 1 1 3   8  40 o 106.4745 2.348364  0.000000       0.000000  ?              ?         113.8379       5.000817  ?              ?         
1 1 1 3   8  41 o 84.62453 1.402164  71.67290       2.368175  74.29975       3.485986  69.42162       3.227178  2.861557       2.804329  
1 1 1 3   8  42 o 62.77271 0.9873125 38.98357       1.151229  38.17299       1.383862  40.80517       2.074543  -2.051052      1.974625  
1 1 1 3   8  43 o 24.64703 0.7043700 6.084481       0.3466111 5.638721       0.4876865 6.539485       0.4927165 -1.827078      1.408740  
1 1 1 3   8  44 o 28.59472 0.6919558 8.186075       0.3948244 7.468266       0.5523757 8.935889       0.5645553 -2.565557      1.383912  
1 1 1 3   8  45 o 31.31378 0.7879030 9.810105       0.4798117 9.868788       0.7760764 9.773797       0.6104639 0.1398544      1.575806  
1 1 1 3   8  46 o 12.14251 1.264490  1.557819       0.2859407 1.070567       0.4120482 2.010420       0.3971270 -4.031930      2.528980  
1 1 1 3   8  47 o 10.99521 1.361840  1.317092       0.2789901 0.8340855      0.4160556 1.711721       0.3760705 -4.133752      2.723680  
1 1 1 3   8  48 o 28.19117 0.7291250 7.925756       0.4101587 8.605671       0.6038755 7.343466       0.5588423 2.234629       1.458250  
1 1 1 3   8  49 o 67.31142 1.039776  45.37471       1.332747  45.10545       1.647363  45.88482       2.267413  -0.4934158     2.079552  
1 1 1 3   8  50 o 39.69462 0.9612293 15.81663       0.7628804 15.90646       1.067537  15.72289       1.090584  0.2343407      1.922459  
1 1 1 3   8  51 o 21.30868 0.9744707 4.599695       0.4054211 4.358757       0.6381829 4.762725       0.5249619 -0.9640198     1.948941  
1 1 1 3   8  52 o 58.73767 0.8177066 34.60619       0.9603721 33.55569       1.349681  35.68353       1.366824  -1.808937      1.635413  
1 1 1 3   8  53 o 32.95784 0.7642120 10.91382       0.5027870 10.29848       0.7180229 11.50582       0.7042730 -1.833492      1.528424  
1 1 1 3   8  54 f 47.76833 0.8245881 23.02946       0.7819330 21.63919       1.157425  24.19676       1.060555  -2.691971      1.649176  
1 1 1 3   8  55 o 38.95942 0.8903151 15.44011       0.6671428 14.51181       1.088546  15.99856       0.8442928 -1.951054      1.780630  
1 1 1 3   8  56 o 45.18547 0.9571108 20.47902       0.8496142 20.83278       1.338100  20.24006       1.099737  0.6051903      1.914222  
1 1 1 3   8  57 o 23.32434 2.916375  0.000000       0.000000  ?              ?         5.590631       1.360450  ?              ?         
1 1 1 3   8  58 o 21.53603 1.836725  4.693851       0.7911152 4.693851       0.7911152 ?              ?         ?              ?         
1 1 1 3   8  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   9  0  o 112.5532 1.212494  125.7919       2.713731  134.7954       4.111086  118.8394       3.612638  7.087082       2.424988  
1 1 1 3   9  1  f 563.1508 5.890813  3090.033       64.71201  2812.256       81.48822  3564.302       106.4777  -66.50055      11.78163  
1 1 1 3   9  2  o 258.8649 3.317176  667.2209       16.05486  679.6940       28.40014  661.3626       19.46328  3.486725       6.634352  
1 1 1 3   9  3  f 270.5779 7.980253  0.000000       0.000000  ?              ?         733.3572       43.18560  ?              ?         
1 1 1 3   9  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   9  5  o 295.7284 4.353231  874.5251       25.72392  896.2017       37.34693  854.9584       35.48284  6.957520       8.706463  
1 1 1 3   9  6  f 414.4590 5.328898  1686.031       40.41922  1637.490       47.93036  1805.531       75.20443  -19.99225      10.65780  
1 1 1 3   9  7  o 238.5086 2.489663  567.8514       11.85475  550.1548       16.19400  588.2851       17.40135  -7.987549      4.979325  
1 1 1 3   9  8  o 344.3187 3.575970  1185.837       24.61502  1205.066       35.43204  1167.899       34.22132  5.388580       7.151939  
1 1 1 3   9  9  o 130.8376 1.396614  170.3646       3.639671  180.1228       5.450551  162.5116       4.889567  6.728584       2.793228  
1 1 1 3   9  10 o 534.7379 5.580740  2862.242       59.64930  2939.497       86.19001  2791.227       82.63589  13.82098       11.16148  
1 1 1 3   9  11 o 309.1095 3.213110  955.9212       19.86027  945.8038       27.76398  966.5233       28.42087  -3.346558      6.426221  
1 1 1 3   9  12 o 294.0103 3.057697  864.9558       17.97906  869.2598       25.57204  860.7487       25.28290  1.445160       6.115394  
1 1 1 3   9  13 o 198.0976 2.076999  392.4453       8.227009  397.4740       11.79031  387.6733       11.48518  2.471954       4.153999  
1 1 1 3   9  14 o 68.88316 0.9698460 48.03330       1.317307  56.16993       1.839602  39.47001       1.887219  12.12205       1.939692  
1 1 1 3   9  15 o 306.4745 4.510127  940.7545       27.63650  928.4199       38.52387  953.8335       39.66909  -4.128754      9.020254  
1 1 1 3   9  16 o 67.26799 1.562764  45.25766       2.102293  44.97472       2.949930  45.54965       2.996805  -0.4270706     3.125529  
1 1 1 3   9  17 o 152.6087 2.280606  233.0269       6.960413  231.6278       9.781275  234.4623       9.906952  -0.9274445     4.561213  
1 1 1 3   9  18 o 226.7668 2.913328  511.7960       12.34228  523.3289       21.88359  506.4162       14.94627  3.631592       5.826656  
1 1 1 3   9  19 o 285.4964 2.973117  816.1376       16.97529  811.4197       23.85295  820.9790       24.16343  -1.669128      5.946234  
1 1 1 3   9  20 o 84.34306 0.9505867 70.69941       1.596011  75.65198       2.401885  66.78374       2.135692  5.255676       1.901173  
1 1 1 3   9  21 o 152.6228 1.621074  232.7537       4.942778  226.9202       6.801004  239.2844       7.195994  -4.045990      3.242148  
1 1 1 3   9  22 o 164.7431 1.741152  271.3975       5.733393  266.3989       7.944812  276.8297       8.282192  -3.161057      3.482304  
1 1 1 3   9  23 o 266.1872 2.777339  709.4578       14.78018  698.9374       20.56452  720.6989       21.25735  -4.072449      5.554678  
1 1 1 3   9  24 o 153.8508 1.633860  236.0966       5.014055  227.2511       6.800523  246.6329       7.422064  -6.290833      3.267720  
1 1 1 3   9  25 o 242.5383 2.535127  588.0786       12.27719  607.6509       17.98754  571.0083       16.79851  7.527542       5.070254  
1 1 1 3   9  26 o 178.7086 1.885236  319.4448       6.734324  313.4933       9.336624  325.8985       9.722643  -3.464050      3.770471  
1 1 1 3   9  27 o 182.9439 1.928697  334.9631       7.055566  331.1133       9.864269  338.9959       10.09592  -2.149841      3.857395  
1 1 1 3   9  28 f 144.3924 1.539469  208.6104       4.445064  210.5351       6.353011  206.7645       6.221589  1.303421       3.078938  
1 1 1 3   9  29 o 145.1011 1.548472  210.6965       4.493412  209.1334       6.311435  212.3031       6.398753  -1.090591      3.096944  
1 1 1 3   9  30 o 107.1594 1.177963  113.1916       2.494698  125.7084       3.906182  104.5695       3.241997  9.852158       2.355927  
1 1 1 3   9  31 o 285.8413 2.987727  820.2197       17.07749  828.5992       24.41822  812.1970       23.89279  2.843811       5.975454  
1 1 1 3   9  32 o 168.6075 1.787104  284.5962       6.023238  289.8824       8.687742  279.7036       8.358106  3.007370       3.574208  
1 1 1 3   9  33 o 184.7355 1.952329  341.5096       7.202253  352.3979       10.53921  331.9694       9.865211  5.499268       3.904659  
1 1 1 3   9  34 o 44.12036 0.6580364 18.89020       0.5710204 22.87526       0.9144927 16.34355       0.7310513 7.398911       1.316073  
1 1 1 3   9  35 o 97.55946 1.087291  95.22806       2.120496  96.90562       3.055861  93.67014       2.944886  1.654327       2.174582  
1 1 1 3   9  36 o 133.1517 1.434158  177.6204       3.818668  175.7093       5.345960  179.6115       5.456563  -1.459778      2.868316  
1 1 1 3   9  37 o 36.47569 0.6309367 13.31544       0.4600743 12.86982       0.6510288 13.76002       0.6502586 -1.220284      1.261873  
1 1 1 3   9  38 o 75.42715 1.284985  55.96730       1.915801  50.51041       2.487993  63.91563       3.002720  -8.855545      2.569971  
1 1 1 3   9  39 o 73.48061 1.268293  53.47487       1.847664  58.90651       2.849995  49.53679       2.426727  6.348106       2.536586  
1 1 1 3   9  40 o 69.07782 1.041896  47.70277       1.352803  47.52047       1.650260  48.07625       2.362070  -0.3621597     2.083792  
1 1 1 3   9  41 o 64.74593 0.8121139 40.94821       1.034207  47.59196       1.656010  36.70018       1.324189  8.394329       1.624228  
1 1 1 3   9  42 o 62.82026 0.7969554 39.49744       1.000875  40.03996       1.440279  38.99078       1.391863  0.8323517      1.593911  
1 1 1 3   9  43 o 45.41357 0.6926678 20.38830       0.6251952 18.11279       0.8317485 23.34383       0.9479166 -5.753132      1.385336  
1 1 1 3   9  44 o 67.79774 0.8464094 46.04520       1.147543  46.06023       1.636274  46.03064       1.609792  0.1990509E-01  1.692819  
1 1 1 3   9  45 o 52.98669 1.099009  28.16539       1.163723  26.65248       1.631758  29.73135       1.660115  -2.902233      2.198017  
1 1 1 3   9  46 o 24.69180 0.7503353 6.124268       0.3693879 5.630090       0.5264479 6.603509       0.5184310 -1.971773      1.500671  
1 1 1 3   9  47 o 53.15314 0.7537592 28.25751       0.8001152 29.14972       1.170055  27.47384       1.096583  1.570004       1.507518  
1 1 1 3   9  48 o 14.54088 1.040861  2.131103       0.3014938 1.970586       0.4342862 2.280436       0.4188840 -1.067504      2.081721  
1 1 1 3   9  49 o 20.71985 0.8376732 4.280818       0.3453833 4.533651       0.5204052 4.081780       0.4617330 1.083735       1.675346  
1 1 1 3   9  50 o 38.65275 0.7215838 14.98306       0.5574038 14.59260       0.7969086 15.35706       0.7799411 -0.9906654     1.443168  
1 1 1 3   9  51 o 22.15379 0.9757513 4.794752       0.4243784 4.273108       0.5407845 5.630939       0.6846824 -3.042625      1.951503  
1 1 1 3   9  52 o 22.63048 1.073312  5.158578       0.4842117 4.658050       0.6818599 5.667771       0.6877355 -2.229786      2.146624  
1 1 1 3   9  53 o 38.74883 0.8694710 15.25588       0.6536464 14.27264       1.042705  15.89240       0.8389554 -2.121319      1.738942  
1 1 1 3   9  54 o 47.01961 0.8224912 22.28594       0.7686964 21.20553       1.135663  23.19946       1.044279  -2.135036      1.644982  
1 1 1 3   9  55 o 59.07395 1.138077  35.03011       1.341421  33.21132       1.821820  37.18378       1.982454  -3.323372      2.276155  
1 1 1 3   9  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   9  57 o 20.59099 1.249426  4.254654       0.5110726 3.613365       0.6944005 5.012591       0.7549177 -3.379635      2.498852  
1 1 1 3   9  58 o 46.21888 1.052524  21.49912       0.9723098 20.74010       1.346539  22.32602       1.405461  -1.700478      2.105047  
1 1 1 3   10 0  o 651.1388 9.674350  4027.852       120.4171  3527.933       146.5756  5065.768       211.1996  -116.8581      19.34870  
1 1 1 3   10 1  f 223.8458 3.309675  500.5068       14.79483  486.5416       20.26962  516.4301       21.64403  -6.667206      6.619350  
1 1 1 3   10 2  o 470.4261 6.906177  2214.921       64.87729  2151.600       88.85661  2287.219       94.94653  -14.33157      13.81235  
1 1 1 3   10 3  o 438.5273 5.771042  1780.158       43.09442  1661.402       48.66313  2211.776       92.77323  -62.25516      11.54208  
1 1 1 3   10 4  o 382.9290 3.977461  1465.234       30.41756  1510.416       44.46801  1425.503       41.69923  11.06540       7.954922  
1 1 1 3   10 5  o 640.1375 6.665110  3876.313       81.03564  3426.515       97.95067  4851.927       144.2571  -110.7130      13.33022  
1 1 1 3   10 6  o 303.3891 3.164001  920.9857       19.19828  920.9303       27.20990  921.0408       27.09144  -0.1895142E-01 6.328003  
1 1 1 3   10 7  o 497.4699 5.184836  2422.315       50.58326  2212.248       64.40409  2760.526       81.71996  -54.91476      10.36967  
1 1 1 3   10 8  o 564.0449 5.887560  3159.949       65.87938  2979.167       86.84808  3404.949       101.1033  -37.55463      11.77512  
1 1 1 3   10 9  o 674.9316 7.017269  4564.002       94.61909  4438.581       130.1719  4704.502       137.7748  -19.57166      14.03454  
1 1 1 3   10 10 o 152.3921 1.612927  231.2265       4.897258  243.8385       7.318017  220.9975       6.590511  7.491135       3.225854  
1 1 1 3   10 11 o 207.4183 2.171363  430.3754       9.007458  431.4526       12.78170  429.3127       12.69567  0.5153198      4.342727  
1 1 1 3   10 12 f 104.7543 1.142323  108.9265       2.378982  117.0003       3.609458  102.7254       3.163296  6.811966       2.284647  
1 1 1 3   10 13 o 310.8180 3.231996  964.9711       20.05407  935.4940       27.38447  999.0617       29.44947  -10.20395      6.463993  
1 1 1 3   10 14 o 278.8078 2.906015  776.4415       16.17652  803.6663       23.72468  752.7874       22.11424  9.107208       5.812030  
1 1 1 3   10 15 f 69.98908 0.8221001 47.92477       1.133275  43.26909       1.456695  55.06302       1.803736  -8.424362      1.644200  
1 1 1 3   10 16 o 48.66968 0.6511928 23.38188       0.6290201 26.20966       0.9653221 21.29517       0.8292419 5.048412       1.302386  
1 1 1 3   10 17 o 141.7730 1.867568  196.3851       4.828447  189.9835       5.705975  212.5298       9.061529  -7.919830      3.735137  
1 1 1 3   10 18 o 346.0493 5.096582  1202.488       35.27290  1205.665       50.03753  1199.350       49.73071  0.9035645      10.19316  
1 1 1 3   10 19 o 199.6001 2.961834  397.3807       11.78309  418.2743       17.55813  380.2608       15.89355  9.490555       5.923667  
1 1 1 3   10 20 o 195.0370 2.894716  380.6389       11.28096  390.3864       16.38399  371.8523       15.55559  4.733627       5.789431  
1 1 1 3   10 21 o 326.2820 4.172509  1066.256       25.58590  1076.362       44.69340  1061.329       31.20531  1.856201       8.345018  
1 1 1 3   10 22 o 155.2503 1.646985  239.2996       5.081025  225.7477       6.742834  257.1054       7.729007  -10.08636      3.293971  
1 1 1 3   10 23 o 191.2305 2.010956  365.9739       7.690160  362.8841       10.77422  369.1827       10.97975  -1.643555      4.021911  
1 1 1 3   10 24 o 125.0445 1.346726  155.9093       3.358858  163.2242       4.975474  149.7843       4.552890  5.369057       2.693451  
1 1 1 3   10 25 f 64.95526 0.7862748 42.09243       1.019472  43.83516       1.499209  40.59342       1.390430  2.494568       1.572550  
1 1 1 3   10 26 o 157.7667 1.672995  249.1027       5.278828  249.3351       7.479657  248.8720       7.451204  0.1462708      3.345990  
1 1 1 3   10 27 o 234.7726 2.459836  551.8402       11.54306  542.0065       15.99619  562.5245       16.67358  -4.351471      4.919673  
1 1 1 3   10 28 o 152.5478 1.622940  232.8907       4.951106  231.1204       6.947966  234.7171       7.057153  -1.176788      3.245881  
1 1 1 3   10 29 o 124.4960 1.345816  154.4497       3.339241  162.5929       4.978499  147.7902       4.502148  5.936111       2.691633  
1 1 1 3   10 30 o 72.06837 0.8557107 51.79786       1.231010  49.52418       1.678320  54.44545       1.811072  -3.412498      1.711421  
1 1 1 3   10 31 o 163.2132 1.732113  266.5456       5.649742  260.7568       7.808394  272.9059       8.184772  -3.709976      3.464226  
1 1 1 3   10 32 o 53.99927 0.7174556 28.85595       0.7696598 31.86892       1.174439  26.58788       1.018969  4.887451       1.434911  
1 1 1 3   10 33 o 100.8322 1.119578  101.6511       2.255946  99.12695       3.115018  104.4352       3.271512  -2.627716      2.239155  
1 1 1 3   10 34 o 54.85490 0.7217726 30.09473       0.7915978 30.46297       1.136670  29.74794       1.103063  0.6509972      1.443545  
1 1 1 3   10 35 o 86.38502 0.9867758 73.91606       1.692176  68.70090       2.233871  80.93786       2.592081  -7.070724      1.973552  
1 1 1 3   10 36 o 38.15824 0.9651911 14.51023       0.7325726 15.18022       1.104782  13.98447       0.9786718 1.561859       1.930382  
1 1 1 3   10 37 o 136.4514 2.097177  185.3396       5.677372  173.1805       7.480615  201.8574       8.718920  -10.39011      4.194354  
1 1 1 3   10 38 o 38.12562 0.6483133 14.52820       0.4940192 13.83161       0.6868808 15.27465       0.7110426 -1.891705      1.296627  
1 1 1 3   10 39 o 68.44623 0.8371026 46.73890       1.143585  44.47491       1.557466  49.38741       1.684545  -3.582840      1.674205  
1 1 1 3   10 40 o 28.21787 0.6578638 7.971871       0.3703935 7.274372       0.5193993 8.693607       0.5283462 -2.514437      1.315728  
1 1 1 3   10 41 o 47.38464 0.6955403 22.44808       0.6584387 23.00977       0.9581074 21.94539       0.9063893 1.120632       1.391081  
1 1 1 3   10 42 o 58.07644 0.7690099 33.30976       0.8863462 30.15097       1.168322  37.59302       1.360470  -6.396454      1.538020  
1 1 1 3   10 43 o 22.35348 0.7425865 5.008828       0.3309404 4.929140       0.4856336 5.077919       0.4521942 -0.3348484     1.485173  
1 1 1 3   10 44 o 87.93053 1.017403  77.32058       1.785979  74.24261       2.437975  80.88554       2.623756  -3.759781      2.034806  
1 1 1 3   10 45 o 11.92680 2.036463  1.526170       0.4792989 1.265142       0.7409986 1.713942       0.6284769 -1.772071      4.072926  
1 1 1 3   10 46 f 72.55838 0.8899809 52.77562       1.291296  52.96269       1.844549  52.59583       1.808325  0.2492065      1.779962  
1 1 1 3   10 47 o 23.62677 0.7793232 5.544830       0.3657863 6.540612       0.5436859 4.721346       0.4944170 3.845293       1.558646  
1 1 1 3   10 48 o 23.41702 0.7830369 5.505877       0.3660332 5.290187       0.5273309 5.706423       0.5084816 -0.8907261     1.566074  
1 1 1 3   10 49 o 17.72664 0.9279850 3.124774       0.3272560 3.431374       0.4949791 2.886675       0.4361943 1.528694       1.855970  
1 1 1 3   10 50 o 16.83058 0.9917716 2.839521       0.3330295 2.910135       0.4908046 2.779268       0.4533695 0.3832970      1.983543  
1 1 1 3   10 51 o 19.49875 0.9217069 3.781258       0.3573711 4.396671       0.5330995 3.278980       0.4816116 2.858068       1.843414  
1 1 1 3   10 52 o 26.68377 0.7864570 7.108142       0.4186143 7.627747       0.6199430 6.672667       0.5675417 1.782356       1.572914  
1 1 1 3   10 53 f 15.34607 1.318854  2.394778       0.4000181 2.812449       0.5656251 1.976853       0.5657970 2.722548       2.637709  
1 1 1 3   10 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   10 55 o 37.31040 1.465280  14.01515       1.093404  14.01515       1.093404  ?              ?         ?              ?         
1 1 1 3   10 56 o 21.20998 1.206604  4.493973       0.5091700 5.062059       0.7677861 4.048001       0.6802795 2.366449       2.413209  
1 1 1 3   10 57 o 30.01904 1.043168  9.070514       0.6256937 8.529770       0.8699000 9.650136       0.9006288 -1.858011      2.086336  
1 1 1 3   10 58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   11 0  o 326.4817 3.392252  1065.688       22.13274  1089.208       32.06738  1044.291       30.58599  6.868439       6.784503  
1 1 1 3   11 1  o 136.2591 1.450522  185.6680       3.952566  187.1270       5.636081  184.2560       5.544587  1.053207       2.901043  
1 1 1 3   11 2  f 149.9236 1.588285  223.8651       4.745755  235.5781       7.075241  214.2852       6.398665  7.098923       3.176570  
1 1 1 3   11 3  o 163.3525 1.723274  266.8775       5.629800  268.1897       8.004144  265.5928       7.920004  0.7945557      3.446547  
1 1 1 3   11 4  o 200.1389 2.096067  399.7804       8.374169  387.1458       11.42944  414.4240       12.30466  -6.810669      4.192134  
1 1 1 3   11 5  o 203.9419 2.136057  415.9768       8.711323  420.0217       12.44924  412.0960       12.19406  1.941833       4.272113  
1 1 1 3   11 6  o 533.4567 5.554369  2843.145       59.11721  2733.689       80.31161  2972.591       87.33842  -22.29559      11.10874  
1 1 1 3   11 7  o 328.3604 3.414523  1078.989       22.42151  1088.095       31.98915  1070.194       31.43569  2.720917       6.829046  
1 1 1 3   11 8  o 471.7563 4.902471  2228.282       46.22789  2267.864       66.75323  2191.807       64.08085  8.025208       9.804941  
1 1 1 3   11 9  o 142.3282 1.513433  201.3111       4.285302  190.7920       5.718384  214.7856       6.472012  -8.425674      3.026867  
1 1 1 3   11 10 o 341.0092 3.543057  1163.842       24.15875  1178.010       34.61253  1150.383       33.73560  4.041077       7.086113  
1 1 1 3   11 11 o 222.9284 2.330225  497.1319       10.38772  502.2138       14.85424  492.2681       14.53197  2.228134       4.660450  
1 1 1 3   11 12 o 214.6298 2.256656  460.7865       9.684902  455.3678       13.53160  466.4776       13.86763  -2.585297      4.513311  
1 1 1 3   11 13 o 162.8673 1.721397  264.3111       5.588748  277.6117       8.317593  253.3637       7.545993  7.438614       3.442795  
1 1 1 3   11 14 o 241.4759 2.912466  583.5320       14.06142  591.7946       20.18966  575.7488       19.59535  3.314560       5.824931  
1 1 1 3   11 15 o 439.7931 4.569369  1939.786       40.18916  1950.395       57.20535  1929.446       56.47383  2.364929       9.138738  
1 1 1 3   11 16 o 117.2088 1.266743  136.9944       2.962198  143.1483       4.377363  131.7957       4.023353  4.840424       2.533486  
1 1 1 3   11 17 o 358.0451 3.723475  1285.019       26.66319  1281.668       37.60833  1288.406       37.80734  -0.9364014     7.446950  
1 1 1 3   11 18 o 184.2776 1.939036  336.8368       7.092679  363.4282       10.85575  317.0310       9.368836  12.56892       3.878073  
1 1 1 3   11 19 o 198.7556 2.085876  395.3206       8.289849  399.8688       11.86992  390.9898       11.58259  2.228973       4.171751  
1 1 1 3   11 20 o 210.1371 2.204361  441.8667       9.260810  448.8436       13.31914  435.3369       12.88516  3.206070       4.408722  
1 1 1 3   11 21 o 94.44765 1.302836  86.48792       2.236197  82.90759       2.631202  95.79993       4.243404  -6.809006      2.605671  
1 1 1 3   11 22 f 265.0546 3.916356  703.9302       20.73220  685.1110       28.44032  725.2715       30.28617  -7.516388      7.832712  
1 1 1 3   11 23 o 140.4463 2.113237  197.0250       5.924648  204.4352       8.706409  190.6341       8.085443  4.901566       4.226474  
1 1 1 3   11 24 o 16.76874 0.9212773 2.797579       0.3081478 3.047158       0.4557063 2.587321       0.4182701 1.370790       1.842555  
1 1 1 3   11 25 o 106.2135 1.400027  114.6189       2.897500  104.3998       4.531879  121.6846       3.768330  -8.147652      2.800053  
1 1 1 3   11 26 o 76.17843 0.8865677 57.96760       1.349314  59.66651       1.963492  56.44738       1.857363  2.111847       1.773135  
1 1 1 3   11 27 o 142.6851 1.524236  203.5648       4.346325  208.2313       6.297142  199.3193       6.006422  3.117645       3.048472  
1 1 1 3   11 28 o 94.91249 1.060290  90.03720       2.011070  92.17429       2.915115  88.09644       2.778003  2.146187       2.120579  
1 1 1 3   11 29 o 171.6108 1.816570  294.8388       6.232953  298.8398       8.947689  291.0670       8.687519  2.257156       3.633140  
1 1 1 3   11 30 o 195.7480 2.062019  383.5321       8.064475  374.2207       11.10797  393.9101       11.72697  -5.006287      4.124038  
1 1 1 3   11 31 o 100.4051 1.114211  100.4965       2.230523  105.6875       3.315243  96.20326       3.014965  4.715630       2.228422  
1 1 1 3   11 32 o 105.6993 1.164891  111.7480       2.460999  114.0486       3.557086  109.6356       3.408427  2.083138       2.329783  
1 1 1 3   11 33 o 117.1068 1.575071  137.2124       3.455863  138.0641       6.069259  136.8038       4.203919  0.4500427      3.150142  
1 1 1 3   11 34 o 91.01591 1.472552  83.00412       2.680404  82.09862       3.771786  83.92798       3.809829  -1.003075      2.945104  
1 1 1 3   11 35 o 61.08340 1.011734  37.56310       1.220281  38.78376       1.617627  35.95116       1.858894  2.328152       2.023468  
1 1 1 3   11 36 o 22.75060 0.6823629 5.174218       0.3098786 5.252154       0.4540820 5.106286       0.4239384 0.3196545      1.364726  
1 1 1 3   11 37 o 87.30373 1.002218  75.88059       1.742798  71.69329       2.339636  81.10036       2.612205  -5.374329      2.004437  
1 1 1 3   11 38 o 38.92312 0.6574724 15.13233       0.5112201 14.16683       0.7075757 16.18670       0.7394243 -2.593578      1.314945  
1 1 1 3   11 39 o 51.95292 0.7230000 27.01647       0.7511570 26.76603       1.066941  27.26260       1.057711  -0.4782829     1.446000  
1 1 1 3   11 40 o 39.79853 0.6614500 15.83622       0.5261760 15.11273       0.7320083 16.60967       0.7568646 -1.879547      1.322900  
1 1 1 3   11 41 o 48.57571 0.7127391 23.34075       0.6882511 20.95978       0.9152877 26.43868       1.044039  -5.633106      1.425478  
1 1 1 3   11 42 o 58.01148 0.7693250 33.66125       0.8916721 34.48359       1.296456  32.92306       1.228330  1.340790       1.538650  
1 1 1 3   11 43 o 75.01403 0.9047617 56.12994       1.353638  53.05603       1.832768  59.81924       2.007859  -4.493881      1.809523  
1 1 1 3   11 44 o 51.89134 0.7364341 26.81805       0.7615181 28.71743       1.137696  25.27634       1.024997  3.307178       1.472868  
1 1 1 3   11 45 f 33.75722 0.8842312 10.97895       0.5532035 10.30600       0.6582214 12.59774       1.020886  -3.360031      1.768462  
1 1 1 3   11 46 o 35.92947 0.6978477 12.92625       0.5008397 12.06136       0.7007046 13.82966       0.7161361 -2.459507      1.395695  
1 1 1 3   11 47 o 74.77474 0.9164380 56.04271       1.369455  57.13728       1.983465  55.04560       1.893097  1.387802       1.832876  
1 1 1 3   11 48 o 65.78821 0.8504944 43.39955       1.118657  43.49839       1.604246  43.30600       1.560695  0.1411514      1.700989  
1 1 1 3   11 49 o 31.23447 0.7392084 9.795796       0.4607222 9.076549       0.6537868 10.50533       0.6493550 -2.287657      1.478417  
1 1 1 3   11 50 o 62.44203 0.8367504 38.86414       1.039823  41.53356       1.567146  36.76461       1.389833  3.795166       1.673501  
1 1 1 3   11 51 o 24.67204 0.8167625 6.083507       0.4015442 6.372925       0.5990440 5.847366       0.5411044 1.056767       1.633525  
1 1 1 3   11 52 o 22.79683 1.102119  5.289257       0.4548625 5.085364       0.8389467 5.374149       0.5413351 -0.6905270     2.204238  
1 1 1 3   11 53 o 22.27658 3.400015  0.000000       0.000000  ?              ?         5.122450       1.514814  ?              ?         
1 1 1 3   11 54 o 16.38745 1.364803  2.683943       0.4446695 3.051588       0.6733014 2.399539       0.5921929 1.965778       2.729607  
1 1 1 3   11 55 o 47.26197 1.032998  22.43348       0.9751186 23.49879       1.424940  21.49521       1.337282  2.099655       2.065997  
1 1 1 3   11 56 o 33.43909 1.020179  11.25489       0.6819791 10.79671       0.9538714 11.73400       0.9754177 -1.396240      2.040359  
1 1 1 3   11 57 o 57.79412 1.140425  33.69401       1.318025  34.33538       1.881659  33.07620       1.846768  1.079605       2.280851  
1 1 1 3   12 0  o 176.1130 1.853109  310.1663       6.525871  306.9031       9.122522  313.5863       9.339244  -1.896362      3.706217  
1 1 1 3   12 1  o 352.2302 3.659213  1240.672       25.75498  1214.644       35.54549  1269.438       37.36898  -7.760712      7.318427  
1 1 1 3   12 2  o 140.4790 1.493683  197.3729       4.196556  198.0022       5.954601  196.7518       5.915246  0.4449005      2.987365  
1 1 1 3   12 3  o 183.8323 1.932234  337.0900       7.087226  351.1989       10.46410  325.1331       9.633091  7.085175       3.864468  
1 1 1 3   12 4  o 369.3005 3.835230  1365.139       28.32215  1379.565       40.50687  1351.340       39.61514  3.811798       7.670459  
1 1 1 3   12 5  o 262.1224 2.731014  687.3900       14.31520  681.1899       20.04554  693.8428       20.45002  -2.410339      5.462027  
1 1 1 3   12 6  o 404.1993 4.194908  1636.127       33.90965  1645.456       48.26247  1627.032       47.65429  2.271423       8.389815  
1 1 1 3   12 7  o 200.7383 2.106513  402.6671       8.448723  393.5997       11.64245  412.7542       12.27959  -4.766724      4.213027  
1 1 1 3   12 8  o 315.9950 3.286280  996.6514       20.71645  1038.698       30.62595  961.1837       28.12814  12.23721       6.572560  
1 1 1 3   12 9  o 76.24501 0.8745754 58.11695       1.333303  59.01802       1.911866  57.26379       1.860340  1.150230       1.749151  
1 1 1 3   12 10 o 207.9029 2.177223  431.3162       9.032500  448.7688       13.32130  416.4640       12.28885  7.760330       4.354446  
1 1 1 3   12 11 o 311.1263 3.237018  968.8679       20.13589  982.8212       28.92051  955.7401       28.05223  4.339996       6.474037  
1 1 1 3   12 12 f 174.4112 1.837933  304.1930       6.408712  309.0397       9.215878  299.6546       8.918036  2.687943       3.675865  
1 1 1 3   12 13 o 106.8549 1.656895  113.7519       3.529243  119.8119       5.254551  108.7713       4.763681  5.162003       3.313791  
1 1 1 3   12 14 o 123.3890 1.328878  151.9922       3.274285  147.2596       4.482561  157.4057       4.794209  -4.109146      2.657756  
1 1 1 3   12 15 o 158.8416 1.682367  251.7718       5.332852  261.8954       7.860032  243.1364       7.259321  5.898819       3.364733  
1 1 1 3   12 16 o 169.1661 1.786165  285.7395       6.032429  296.0665       8.853115  276.7892       8.241925  5.690338       3.572329  
1 1 1 3   12 17 o 208.8855 2.190871  435.2198       9.125176  417.9653       12.34389  456.0115       13.55020  -9.086868      4.381742  
1 1 1 3   12 18 o 40.46077 0.6037393 16.36802       0.4884899 16.02622       0.6850117 16.72167       0.6967971 -0.8593521     1.207479  
1 1 1 3   12 19 o 238.0388 2.488761  566.9780       11.84065  556.3140       16.39430  578.6066       17.11967  -4.668381      4.977522  
1 1 1 3   12 20 o 143.9436 1.538709  206.6986       4.419168  215.7370       6.526312  199.0454       6.005425  5.791641       3.077418  
1 1 1 3   12 21 o 122.0039 1.318457  148.7174       3.213693  144.9491       4.423557  152.9292       4.676696  -3.267563      2.636914  
1 1 1 3   12 22 o 130.8095 1.404847  171.1412       3.674378  168.8494       5.125918  173.5633       5.269778  -1.799988      2.809693  
1 1 1 3   12 23 o 408.7846 4.258447  1678.714       34.80457  1702.516       49.98306  1656.310       48.49296  5.590332       8.516894  
1 1 1 3   12 24 o 199.5812 2.552710  402.1140       9.745470  409.7341       12.18666  388.5969       16.23105  5.402481       5.105421  
1 1 1 3   12 25 o 124.2860 1.888027  154.6126       4.692289  156.2810       6.711315  153.0172       6.562970  1.309891       3.776053  
1 1 1 3   12 26 o 156.0747 2.340920  243.6518       7.297204  236.7715       10.01088  251.4520       10.65921  -4.684402      4.681840  
1 1 1 3   12 27 o 81.45592 1.308092  65.89346       2.118998  61.95406       2.821082  70.99344       3.209849  -5.541321      2.616184  
1 1 1 3   12 28 o 47.34420 0.8189744 20.54263       0.6937990 26.70764       1.393450  18.51053       0.8000131 8.649128       1.637949  
1 1 1 3   12 29 o 60.78776 0.7694240 36.95000       0.9352668 36.12031       1.309080  37.81506       1.336686  -1.393600      1.538848  
1 1 1 3   12 30 o 80.48605 0.9348302 63.85789       1.488068  71.10577       2.323328  58.81649       1.937673  7.626457       1.869660  
1 1 1 3   12 31 o 91.20494 1.474683  82.92990       2.680028  87.58805       4.002378  79.14364       3.608426  4.614738       2.949365  
1 1 1 3   12 32 o 93.20604 1.501192  86.44820       2.785065  81.30569       3.724133  92.97382       4.195158  -6.237846      3.002383  
1 1 1 3   12 33 o 195.7260 2.544230  384.6275       9.352426  383.0558       11.40206  387.8590       16.34984  -0.8087311     5.088461  
1 1 1 3   12 34 o 23.29531 0.6709732 5.434412       0.3123103 5.267030       0.4468961 5.594193       0.4366298 -0.7024708     1.341946  
1 1 1 3   12 35 o 29.40369 0.6379795 8.649424       0.3748526 8.669226       0.5418345 8.631247       0.5191369 0.6393433E-01  1.275959  
1 1 1 3   12 36 o 31.76289 0.6417133 10.08585       0.4070408 9.335518       0.5671317 10.88298       0.5845487 -2.435421      1.283427  
1 1 1 3   12 37 f 29.26061 0.6582337 8.576859       0.3844986 7.965543       0.5431199 9.191076       0.5444087 -2.094124      1.316467  
1 1 1 3   12 38 f 68.24317 0.8384984 46.59823       1.143821  47.34180       1.649757  45.90992       1.587266  1.046173       1.676997  
1 1 1 3   12 39 o 71.99396 0.8695614 51.83539       1.251117  50.19268       1.728697  53.64223       1.813004  -2.390968      1.739123  
1 1 1 3   12 40 o 103.9578 1.162151  108.3588       2.416207  108.6591       3.433434  108.0642       3.400865  0.2834549      2.324302  
1 1 1 3   12 41 o 43.71766 0.6891885 19.13023       0.6024350 19.22420       0.8628768 19.04087       0.8414699 0.2085114      1.378377  
1 1 1 3   12 42 f 9.475239 1.267779  0.8781444      0.2508487 1.859884       0.3856137 0.1579165      0.3302854 8.291696       2.535558  
1 1 1 3   12 43 o 23.64874 0.7420874 5.621933       0.3485534 4.834394       0.4906311 6.424400       0.4952595 -3.361378      1.484175  
1 1 1 3   12 44 o 52.91615 0.7513186 27.84155       0.7910336 30.03742       1.194787  26.12781       1.055498  3.683079       1.502637  
1 1 1 3   12 45 o 68.27214 0.8598955 46.58761       1.171414  48.64054       1.728994  44.84570       1.592651  2.765625       1.719791  
1 1 1 3   12 46 o 67.97768 0.8613787 46.17463       1.167810  48.36400       1.731083  44.34607       1.582030  2.938980       1.722757  
1 1 1 3   12 47 o 30.37276 0.7259452 9.255814       0.4403974 8.847049       0.6289482 9.649015       0.6168597 -1.321396      1.451890  
1 1 1 3   12 48 o 54.80943 0.7785813 29.97804       0.8507307 31.77503       1.266313  28.49980       1.148523  2.974594       1.557163  
1 1 1 3   12 49 o 82.61453 0.9920578 68.27657       1.634084  71.73428       2.428602  65.41621       2.208879  3.790901       1.984116  
1 1 1 3   12 50 o 28.73307 0.7696131 8.292326       0.4411137 8.085588       0.6428581 8.476279       0.6063955 -0.6847095     1.539226  
1 1 1 3   12 51 o 43.63078 1.184743  19.09348       1.024057  19.71417       1.570091  18.63395       1.350957  1.192078       2.369486  
1 1 1 3   12 52 o 6.973361 1.848904  0.3685557      0.3539189 0.1660073      0.5564076 0.5061938      0.4586674 -0.8421659     3.697809  
1 1 1 3   12 53 o 77.40022 1.323012  60.48849       2.047605  61.34336       2.932218  59.67487       2.860612  1.058723       2.646024  
1 1 1 3   12 54 o 12.61613 1.706243  1.669888       0.4147381 1.718313       0.6029803 1.626409       0.5713534 0.3412647      3.412486  
1 1 1 3   12 55 o 59.18181 1.129922  35.31079       1.337320  35.77247       1.904834  34.86204       1.877966  0.7621956      2.259843  
1 1 1 3   12 56 o 57.88097 1.120517  33.76909       1.296449  34.87068       1.870663  32.75098       1.798385  1.810635       2.241035  
1 1 1 3   12 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   13 0  o 335.7227 3.488991  1126.279       23.38897  1163.278       34.25700  1093.972       32.01109  10.29645       6.977982  
1 1 1 3   13 1  o 91.18456 1.018730  83.15209       1.857769  82.93094       2.613725  83.37789       2.641053  -0.2449875     2.037460  
1 1 1 3   13 2  o 100.6344 1.112280  99.71222       2.211674  91.83598       2.871652  111.1960       3.467484  -9.616760      2.224559  
1 1 1 3   13 3  f 161.3586 1.709923  260.4367       5.518174  261.3651       7.821968  259.5168       7.785911  0.5724945      3.419846  
1 1 1 3   13 4  o 410.1215 4.258033  1684.828       34.92176  1700.060       49.86569  1670.167       48.92151  3.630035       8.516067  
1 1 1 3   13 5  o 254.1853 2.651194  646.5789       13.47784  645.7228       19.02777  647.4408       19.09348  -0.3372498     5.302389  
1 1 1 3   13 6  o 128.7021 1.389075  165.6290       3.574773  163.4415       4.993288  167.9291       5.120080  -1.742706      2.778149  
1 1 1 3   13 7  o 461.0591 4.786683  2126.927       44.05663  2202.718       64.70681  2061.430       60.15309  15.23141       9.573366  
1 1 1 3   13 8  o 139.9623 1.491840  195.4824       4.167759  203.0337       6.129807  188.9902       5.683651  5.013901       2.983680  
1 1 1 3   13 9  o 154.1225 1.634138  235.5251       5.000050  254.3199       7.647463  221.4918       6.608126  10.64198       3.268276  
1 1 1 3   13 10 o 185.6689 2.259712  344.8256       8.387770  350.1066       12.06806  339.8904       11.66633  2.746643       4.519424  
1 1 1 3   13 11 o 338.7554 4.994027  1150.904       33.81041  1127.770       46.75963  1176.252       48.94550  -7.097565      9.988054  
1 1 1 3   13 12 o 181.3982 1.912616  328.7872       6.930858  338.3824       10.09768  320.2401       9.530334  4.994431       3.825231  
1 1 1 3   13 13 o 237.1857 2.479188  562.9699       11.75684  555.1407       16.38127  571.2864       16.88346  -3.395782      4.958376  
1 1 1 3   13 14 o 470.5779 4.896536  2218.732       45.97362  2309.496       67.87967  2141.815       62.48756  17.63321       9.793073  
1 1 1 3   13 15 o 214.5701 2.248385  460.2523       9.636963  473.5251       14.04973  448.4592       13.24343  5.827103       4.496771  
1 1 1 3   13 16 o 229.1827 2.397443  525.6981       10.98481  534.0840       15.79965  517.8516       15.28298  3.531387       4.794886  
1 1 1 3   13 17 o 219.7221 2.301365  483.2864       10.11205  479.4123       14.17280  487.3034       14.43191  -1.791016      4.602729  
1 1 1 3   13 18 f 397.6969 4.138141  1587.162       32.90631  1606.791       47.16936  1568.552       45.92855  4.767456       8.276282  
1 1 1 3   13 19 o 327.9240 3.416587  1078.205       22.40575  1086.090       31.93412  1070.559       31.44459  2.354004       6.833175  
1 1 1 3   13 20 o 48.80730 0.6859299 23.45931       0.6640683 20.97170       0.8738846 26.85888       1.021588  -6.030144      1.371860  
1 1 1 3   13 21 o 380.6604 3.965935  1454.302       30.17961  1478.657       43.47305  1431.645       41.92962  6.117889       7.931870  
1 1 1 3   13 22 o 355.0616 3.699739  1265.277       26.26646  1280.274       37.63853  1251.040       36.67304  4.080750       7.399478  
1 1 1 3   13 23 o 212.7456 2.233216  453.2466       9.501222  449.7701       13.32642  456.8408       13.54988  -1.656372      4.466433  
1 1 1 3   13 24 o 158.7787 1.687727  252.3250       5.359229  250.8124       7.533401  253.8749       7.625630  -0.9625854     3.375454  
1 1 1 3   13 25 o 123.9322 1.347123  152.8026       3.323438  145.0692       4.449020  162.5662       4.999012  -7.049583      2.694246  
1 1 1 3   13 26 o 103.2999 1.142992  106.7619       2.361308  107.3457       3.359035  106.1917       3.320094  0.5579071      2.285985  
1 1 1 3   13 27 o 45.69053 0.6839836 20.62564       0.6210576 23.34042       0.9445395 18.55803       0.8243032 5.232117       1.367967  
1 1 1 3   13 28 o 103.6901 1.627468  107.6752       3.374857  106.4334       4.775186  108.9145       4.770355  -1.196556      3.254936  
1 1 1 3   13 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   13 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   13 31 o 126.9573 1.771091  161.1799       4.389834  163.6487       7.041044  159.6100       5.614659  1.513054       3.542183  
1 1 1 3   13 32 o 48.09119 0.7489036 23.21334       0.7113569 22.65857       1.088783  23.62653       0.9396365 -1.010139      1.497807  
1 1 1 3   13 33 f 40.11388 0.6506930 15.96387       0.5196100 17.54286       0.7821789 14.71663       0.6951713 3.520550       1.301386  
1 1 1 3   13 34 o 99.96039 1.116769  99.07533       2.214807  107.7802       3.400694  92.66324       2.918686  7.537361       2.233538  
1 1 1 3   13 35 o 81.32712 0.9459030 66.21160       1.538295  66.70200       2.198844  65.74149       2.152840  0.5884476      1.891806  
1 1 1 3   13 36 o 25.66520 0.6687559 6.532668       0.3417409 7.318072       0.5122440 5.902722       0.4587570 2.755455       1.337512  
1 1 1 3   13 37 o 46.36673 0.6898471 21.51575       0.6396871 21.39688       0.9075862 21.63309       0.9017504 -0.2549477     1.379694  
1 1 1 3   13 38 o 42.39711 0.6750132 17.98709       0.5722115 18.10276       0.8201259 17.87738       0.7987558 0.2648773      1.350026  
1 1 1 3   13 39 f 78.34903 0.9268980 61.28784       1.448685  64.19900       2.143587  58.84035       1.965480  3.408134       1.853796  
1 1 1 3   13 40 o 83.12868 0.9716485 69.21621       1.615057  67.93790       2.254326  70.56422       2.314952  -1.575165      1.943297  
1 1 1 3   13 41 o 66.56879 0.8338782 44.38866       1.110138  44.34843       1.578303  44.42805       1.561772  -0.6098175E-01 1.667756  
1 1 1 3   13 42 o 66.18683 0.8353690 43.77627       1.103566  45.61121       1.624274  42.20300       1.504011  2.564980       1.670738  
1 1 1 3   13 43 o 93.36707 1.072902  87.40060       2.002022  89.25729       2.897794  85.70507       2.769158  1.887794       2.145804  
1 1 1 3   13 44 f 54.67707 0.7678522 29.88648       0.8379056 30.91899       1.233286  29.00127       1.141935  1.745712       1.535704  
1 1 1 3   13 45 o 30.22933 0.7201672 9.153926       0.4345427 8.400127       0.6078395 9.941882       0.6214591 -2.548878      1.440334  
1 1 1 3   13 46 o 16.70069 0.9712462 2.853653       0.3180493 2.332105       0.4660276 3.308355       0.4351386 -2.926754      1.942492  
1 1 1 3   13 47 f 60.75427 0.8673937 36.48336       1.031787  39.58456       1.663876  34.54576       1.315192  4.104218       1.734787  
1 1 1 3   13 48 o 77.89706 0.9509146 60.90972       1.481411  60.27310       2.094661  61.54679       2.095400  -0.8174515     1.901829  
1 1 1 3   13 49 o 23.34289 1.446321  5.571199       0.6653883 4.995019       0.9968955 6.034124       0.8935641 -2.250488      2.892642  
1 1 1 3   13 50 o 29.22787 1.005532  8.311547       0.5429175 7.901605       0.6458046 9.299527       1.002569  -2.328711      2.011064  
1 1 1 3   13 51 o 16.14617 1.226871  2.725785       0.3756844 2.276955       0.6088108 3.001794       0.4774225 -2.273360      2.453743  
1 1 1 3   13 52 o 77.01865 1.313042  59.86967       2.021895  58.96180       2.815789  60.83603       2.905085  -1.193367      2.626083  
1 1 1 3   13 53 o 9.364685 1.962698  0.9026705      0.3904692 0.9896733      0.5977160 0.8378994      0.5157255 0.7503510      3.925395  
1 1 1 3   13 54 o 40.44483 1.000958  16.37272       0.8074813 15.11598       1.096039  17.86456       1.194163  -3.375957      2.001916  
1 1 1 3   13 55 o 43.16872 1.009281  18.53344       0.8657033 20.98757       1.318124  16.67189       1.148008  4.956341       2.018561  
1 1 1 3   13 56 o 36.47083 1.003957  13.39425       0.7317133 12.69595       1.028479  14.10997       1.041237  -1.935436      2.007914  
1 1 1 3   14 0  o 97.98638 1.083138  96.01482       2.122465  95.15081       2.977490  96.90739       3.026345  -0.8961029     2.166276  
1 1 1 3   14 1  o 240.3483 3.555510  577.1786       17.05554  558.2698       23.24016  599.2499       25.10838  -8.496048      7.111020  
1 1 1 3   14 2  o 145.4397 2.195147  211.6357       6.384574  210.3440       8.954523  212.9713       9.105677  -0.9017334     4.390295  
1 1 1 3   14 3  o 199.1148 2.965501  396.3830       11.79567  407.4442       17.18566  386.5306       16.21943  5.238525       5.931002  
1 1 1 3   14 4  o 353.6563 5.212567  1254.503       36.84899  1277.094       53.16896  1233.623       51.11630  6.095581       10.42513  
1 1 1 3   14 5  o 240.4101 3.557072  578.6688       17.09528  569.2934       23.74982  588.7492       24.62676  -4.031158      7.114144  
1 1 1 3   14 6  o 148.4949 2.237891  219.1127       6.607277  234.4786       10.01569  207.2729       8.791706  9.146591       4.475782  
1 1 1 3   14 7  o 134.2901 2.043892  180.2785       5.485054  176.4172       7.576862  184.5302       7.950712  -3.016663      4.087784  
1 1 1 3   14 8  o 272.9706 2.846160  743.7269       15.49634  776.6191       22.94625  716.1473       21.01159  11.04611       5.692321  
1 1 1 3   14 9  o 211.9622 2.221156  449.5304       9.413948  444.3673       13.14897  454.9599       13.48402  -2.494308      4.442313  
1 1 1 3   14 10 o 260.4547 2.718180  679.1142       14.15665  686.4533       20.25420  672.1043       19.79477  2.746735       5.436360  
1 1 1 3   14 11 o 121.8599 1.314114  148.5236       3.202317  149.9413       4.574401  147.1611       4.484457  1.139946       2.628227  
1 1 1 3   14 12 o 146.1296 1.554662  212.5869       4.524822  202.7493       6.076622  224.8299       6.778965  -7.547028      3.109324  
1 1 1 3   14 13 o 385.0189 4.006895  1487.031       30.84192  1510.942       44.38329  1464.703       42.88919  5.957306       8.013790  
1 1 1 3   14 14 o 23.78462 0.5962048 5.657456       0.2836048 5.670644       0.4024998 5.644453       0.3996707 0.5504417E-01  1.192410  
1 1 1 3   14 15 o 28.58472 0.5867368 7.995417       0.3315226 6.622605       0.4357092 9.882965       0.5109056 -5.702631      1.173474  
1 1 1 3   14 16 o 145.9718 1.555414  212.9517       4.536657  207.9842       6.255184  218.4644       6.589463  -3.585724      3.110828  
1 1 1 3   14 17 o 127.9822 1.378280  163.7374       3.525663  167.3566       5.096639  160.4162       4.882343  2.709030       2.756561  
1 1 1 3   14 18 o 112.7204 1.228003  127.1070       2.768415  126.9823       3.910515  127.2322       3.919761  -0.1107254     2.456007  
1 1 1 3   14 19 o 132.7516 1.424861  176.2048       3.780974  172.9465       5.243740  179.7334       5.456833  -2.553421      2.849722  
1 1 1 3   14 20 o 255.6123 2.671599  654.6796       13.65784  655.3625       19.34061  654.0002       19.28969  0.2651215      5.343197  
1 1 1 3   14 21 f 100.9996 1.117280  102.0253       2.256496  103.1635       3.227971  100.9377       3.155594  1.101021       2.234560  
1 1 1 3   14 22 o 88.30370 1.000569  77.72186       1.762538  74.33607       2.390816  81.75261       2.608611  -4.197006      2.001138  
1 1 1 3   14 23 o 74.49480 0.8788490 55.49161       1.309052  56.25185       1.877238  54.77202       1.826368  0.9926910      1.757698  
1 1 1 3   14 24 f 80.36163 0.9375399 64.27829       1.501254  61.06579       2.020429  68.23824       2.243191  -4.459709      1.875080  
1 1 1 3   14 25 o 239.1787 3.068946  576.8055       13.92839  566.9600       23.70171  581.9990       17.21440  -3.452362      6.137893  
1 1 1 3   14 26 o 111.2650 1.744943  122.7670       3.853442  114.7818       5.085305  133.5352       5.905360  -8.402931      3.489886  
1 1 1 3   14 27 o 259.1832 3.862519  677.5421       20.02123  680.6693       28.46312  674.4793       28.16777  1.170746       7.725037  
1 1 1 3   14 28 o 137.1383 1.797751  190.6197       4.735845  196.6043       5.974237  180.5000       7.768805  5.945435       3.595502  
1 1 1 3   14 29 o 91.38395 1.033242  83.46614       1.886284  85.81794       2.747240  81.36852       2.594524  2.430206       2.066485  
1 1 1 3   14 30 o 57.26569 0.7474293 32.80489       0.8559673 32.24688       1.202443  33.37816       1.218763  -0.9873543     1.494859  
1 1 1 3   14 31 o 83.52170 1.182083  67.85426       1.809442  65.05383       2.142263  74.82565       3.380024  -5.800354      2.364167  
1 1 1 3   14 32 o 86.17397 1.377637  74.40900       2.374092  73.71218       3.328963  75.13021       3.386728  -0.8195801     2.755275  
1 1 1 3   14 33 o 37.97431 0.8600391 14.19823       0.6478298 12.37476       0.8553312 16.65177       0.9921603 -5.626167      1.720078  
1 1 1 3   14 34 o 7.125952 1.571975  0.4612619      0.2746738 0.1055773      0.3946148 0.7955483      0.3825605 -3.216196      3.143950  
1 1 1 3   14 35 o 40.52925 0.7785926 16.85311       0.6148782 13.98750       0.9284190 19.09210       0.8206564 -6.301762      1.557185  
1 1 1 3   14 36 o 27.64548 0.6670283 7.654449       0.3679982 7.545990       0.5364341 7.750862       0.5057744 -0.3716717     1.334057  
1 1 1 3   14 37 o 38.18872 0.6635241 14.52079       0.5051666 13.03946       0.6893647 16.23886       0.7424074 -4.186691      1.327048  
1 1 1 3   14 38 o 36.80714 0.6637998 13.46510       0.4867897 14.68113       0.7281565 12.48247       0.6545591 2.983292       1.327600  
1 1 1 3   14 39 o 68.13303 0.8455161 46.49317       1.152122  46.33712       1.633456  46.64766       1.625269  -0.2284088     1.691032  
1 1 1 3   14 40 o 69.03238 0.8545569 47.73923       1.179812  47.44836       1.670739  48.02853       1.666282  -0.4205399     1.709114  
1 1 1 3   14 41 o 71.25829 0.8759316 50.86509       1.247887  51.48713       1.793489  50.28134       1.737404  0.8413773      1.751863  
1 1 1 3   14 42 o 90.87717 1.049985  82.64638       1.904424  85.97047       2.803921  79.79973       2.594750  3.372108       2.099969  
1 1 1 3   14 43 o 32.78628 0.7003679 10.76071       0.4587299 10.87567       0.6663081 10.65712       0.6324959 0.3306351      1.400736  
1 1 1 3   14 44 o 19.36527 1.428474  3.780049       0.5454437 3.756456       0.8437505 3.796987       0.7149093 -0.1271553     2.856948  
1 1 1 3   14 45 o 79.76286 0.9603294 63.64471       1.529086  60.71886       2.085568  67.04565       2.248525  -3.945084      1.920659  
1 1 1 3   14 46 o 49.66577 0.7520697 24.69944       0.7464589 25.25717       1.081488  24.19199       1.031584  1.067131       1.504139  
1 1 1 3   14 47 o 36.07024 1.154238  13.16896       0.8242097 12.38859       1.235624  13.79451       1.106288  -1.970608      2.308477  
1 1 1 3   14 48 o 35.01347 0.9312371 12.35052       0.6140472 12.43545       0.7525965 12.18139       1.062024  0.4087830      1.862474  
1 1 1 3   14 49 o 7.987805 1.438713  0.4712422      0.2845489 1.351010       0.4482765 -0.1224469     0.3682490 6.812157       2.877427  
1 1 1 3   14 50 f 18.07109 1.064292  3.237800       0.3732830 3.474254       0.6155608 3.100275       0.4694492 1.006804       2.128585  
1 1 1 3   14 51 o 30.26192 0.9654580 9.198812       0.5840388 9.410029       0.8423751 9.003297       0.8104602 0.6659317      1.930916  
1 1 1 3   14 52 o 20.24073 1.124124  4.137915       0.4536591 3.783454       0.6437541 4.487608       0.6394097 -1.740490      2.248248  
1 1 1 3   14 53 o 9.554695 1.916409  0.9613582      0.3829828 0.8982074      0.5690589 1.013645       0.5178013 -0.4731531     3.832819  
1 1 1 3   14 54 o 34.16921 0.9814506 11.65016       0.6677312 13.19066       0.9963109 10.39395       0.8996924 4.069958       1.962901  
1 1 1 3   14 55 f 17.84172 1.264927  3.222906       0.4504675 2.989231       0.6368608 3.456869       0.6372536 -1.310394      2.529855  
1 1 1 3   14 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   15 0  o 300.0453 3.124641  900.5589       18.73098  879.3353       25.79322  924.2402       27.24562  -7.457886      6.249282  
1 1 1 3   15 1  o 230.4595 2.410328  531.4331       11.10657  538.4496       15.93310  524.8011       15.49037  2.955200       4.820656  
1 1 1 3   15 2  o 555.9948 5.787839  3099.311       64.20708  2990.548       87.27816  3227.606       94.79149  -21.07135      11.57568  
1 1 1 3   15 3  f 136.5559 1.459851  186.5367       3.986958  187.1317       5.657833  185.9499       5.619186  0.4323730      2.919701  
1 1 1 3   15 4  o 250.4832 2.620262  625.5900       13.08112  657.5797       19.49493  599.3911       17.64247  11.58621       5.240524  
1 1 1 3   15 5  o 209.6777 2.198017  439.9093       9.215540  434.9369       12.87459  445.1338       13.19687  -2.427155      4.396034  
1 1 1 3   15 6  o 106.4732 1.164670  113.3936       2.480122  113.1914       3.504866  113.5963       3.509983  -0.1901093     2.329341  
1 1 1 3   15 7  o 146.0387 1.556614  213.0098       4.540135  219.9146       6.635117  206.9306       6.225850  4.441055       3.113229  
1 1 1 3   15 8  o 140.3630 1.497429  196.9127       4.200157  192.6047       5.799539  201.6646       6.091012  -3.224136      2.994858  
1 1 1 3   15 9  o 76.43491 0.8833223 57.63673       1.337272  64.06342       2.073679  53.06129       1.749705  7.194847       1.766645  
1 1 1 3   15 10 o 39.31458 0.6037603 15.43019       0.4743029 16.16384       0.6884050 14.76720       0.6544163 1.776073       1.207521  
1 1 1 3   15 11 o 86.06424 0.9712711 73.34652       1.659555  80.04120       2.540302  68.36196       2.191967  6.782455       1.942542  
1 1 1 3   15 12 o 182.1368 1.918238  331.9065       6.985783  336.2804       10.01847  327.7673       9.745944  2.332886       3.836476  
1 1 1 3   15 13 o 131.0287 1.406014  170.9128       3.669815  162.8936       4.931873  180.8611       5.493190  -6.850174      2.812028  
1 1 1 3   15 14 o 225.8078 2.365548  510.4218       10.68112  516.4401       15.28744  504.6819       14.92968  2.596725       4.731097  
1 1 1 3   15 15 o 130.4148 1.401331  169.8862       3.650236  165.1364       5.009623  175.2621       5.329654  -3.878250      2.802662  
1 1 1 3   15 16 o 219.5128 2.300080  482.4352       10.09663  486.8259       14.41814  478.2102       14.14342  1.956757       4.600161  
1 1 1 3   15 17 o 285.6473 2.979828  817.8391       17.02324  820.8008       24.16876  814.9231       23.98132  1.023651       5.959655  
1 1 1 3   15 18 o 296.1114 3.088595  878.4576       18.27860  897.3010       26.44702  861.2249       25.29137  6.056213       6.177189  
1 1 1 3   15 19 o 172.5235 1.827115  297.9401       6.304387  298.5321       8.929156  297.3515       8.902403  0.3416138      3.654230  
1 1 1 3   15 20 o 149.4550 1.593115  222.8973       4.750395  232.4514       7.017577  214.8163       6.453909  5.889771       3.186231  
1 1 1 3   15 21 o 30.26968 0.6504923 9.099941       0.3923642 10.19325       0.5820336 8.189217       0.5312153 3.309902       1.300985  
1 1 1 3   15 22 o 81.98996 1.029627  66.29163       1.643381  71.32418       2.690500  63.29665       2.075557  4.887024       2.059255  
1 1 1 3   15 23 o 98.89108 1.580205  97.86203       3.124539  96.33021       4.358185  99.48209       4.481944  -1.590630      3.160409  
1 1 1 3   15 24 o 134.2602 2.059461  180.6117       5.530071  180.3323       7.815445  180.8918       7.825969  -0.2080078     4.118923  
1 1 1 3   15 25 o 43.35524 0.8814296 18.61178       0.6922143 18.35623       0.8176575 19.25827       1.300524  -1.032463      1.762859  
1 1 1 3   15 26 o 230.9597 2.425704  535.3698       11.20463  536.8161       15.89716  533.9420       15.79482  0.6167450      4.851408  
1 1 1 3   15 27 o 156.2707 1.667656  244.4902       5.208831  249.7001       7.528579  239.7063       7.214270  3.184708       3.335313  
1 1 1 3   15 28 o 115.4433 1.264235  133.3672       2.917502  135.8307       4.206097  131.0829       4.050258  2.050621       2.528470  
1 1 1 3   15 29 o 46.50924 0.6906376 21.13710       0.6343885 25.06801       0.9972718 18.46529       0.8221868 7.094299       1.381275  
1 1 1 3   15 30 o 69.75140 0.8451367 48.50053       1.176252  46.04053       1.598201  51.40789       1.737453  -3.843346      1.690273  
1 1 1 3   15 31 o 97.76764 1.095091  95.71849       2.141249  95.07761       3.017419  96.36861       3.039063  -0.6592331     2.190181  
1 1 1 3   15 32 o 76.10773 0.9047210 57.03128       1.361850  51.95388       1.772498  64.34742       2.127680  -8.127464      1.809442  
1 1 1 3   15 33 o 68.11292 0.8390501 46.31167       1.140659  48.35061       1.679501  44.56593       1.554063  2.773079       1.678100  
1 1 1 3   15 34 o 18.24480 0.7916146 3.341476       0.2872177 2.914972       0.4041764 3.776576       0.4082283 -2.361059      1.583229  
1 1 1 3   15 35 o 40.65451 0.7845606 16.40752       0.6186417 16.00223       0.7799293 17.09514       1.015902  -1.333763      1.569121  
1 1 1 3   15 36 o 65.05308 1.120191  42.27487       1.454148  44.46779       2.146177  40.41375       1.977157  3.103664       2.240381  
1 1 1 3   15 37 f 8.873299 1.557428  0.8434724      0.2838801 0.5221764      0.4213103 1.110642       0.3841871 -2.960740      3.114855  
1 1 1 3   15 38 o 82.12016 1.175030  66.41588       1.792099  70.91840       3.244751  64.43955       2.149725  3.847511       2.350059  
1 1 1 3   15 39 o 26.15442 0.7085546 6.860786       0.3698121 6.630501       0.5356259 7.070559       0.5112143 -0.8427334     1.417109  
1 1 1 3   15 40 f 44.15133 0.6996068 19.34088       0.6143105 21.20332       0.9309962 17.90468       0.8175499 3.728035       1.399214  
1 1 1 3   15 41 o 23.85876 0.7448937 5.634256       0.3533266 6.415837       0.5350315 5.029790       0.4705203 2.899662       1.489787  
1 1 1 3   15 42 o 23.41883 0.7663173 5.515414       0.3575552 5.128685       0.5158582 5.873003       0.4960425 -1.590834      1.532635  
1 1 1 3   15 43 o 69.98349 0.8789388 49.04971       1.229463  47.41662       1.702877  50.82792       1.776932  -2.429276      1.757878  
1 1 1 3   15 44 o 127.7191 1.407897  164.3250       3.595981  165.2037       5.125450  163.4731       5.046441  0.6627274      2.815794  
1 1 1 3   15 45 o 35.62469 1.195337  12.54549       0.8425686 14.25291       1.314163  11.35374       1.097924  4.033356       2.390675  
1 1 1 3   15 46 o 44.44057 1.005920  19.55480       0.8706691 18.67514       1.100713  21.02522       1.423103  -2.596745      2.011840  
1 1 1 3   15 47 o 35.66499 0.7169060 12.75585       0.5110828 12.33411       0.7255284 13.17127       0.7200631 -1.174278      1.433812  
1 1 1 3   15 48 o 44.26810 0.7472548 19.63390       0.6609671 18.46458       0.9212604 20.87430       0.9488472 -2.718113      1.494510  
1 1 1 3   15 49 o 28.12201 0.9243017 7.847948       0.5167515 8.947688       0.7824690 6.997299       0.6881726 3.452185       1.848603  
1 1 1 3   15 50 o 86.96327 1.436249  76.48385       2.497998  76.76575       3.541562  76.20475       3.523910  0.3176193      2.872499  
1 1 1 3   15 51 o 39.99416 0.9626991 16.05581       0.7694170 16.78987       1.115206  15.38898       1.062916  1.740993       1.925398  
1 1 1 3   15 52 o 17.29155 1.252701  3.042629       0.4296999 2.757507       0.6287236 3.292546       0.5886306 -1.558142      2.505402  
1 1 1 3   15 53 f 37.63811 0.9717389 14.24503       0.7310947 14.51617       1.054840  13.99438       1.014204  0.6840096      1.943478  
1 1 1 3   15 54 o 11.89697 1.784737  1.485301       0.4116634 1.792199       0.6098037 1.228332       0.5579993 2.309935       3.569473  
1 1 1 3   15 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   16 0  o 162.2193 1.716857  263.3123       5.570133  263.0604       7.867041  263.5656       7.887714  -0.1554871     3.433714  
1 1 1 3   16 1  o 67.09961 0.8058971 43.41004       1.055150  52.48132       1.741506  38.14854       1.326310  10.67772       1.611794  
1 1 1 3   16 2  f 58.33307 0.7412464 33.86255       0.8624451 36.40937       1.278179  31.73389       1.168544  4.006958       1.482493  
1 1 1 3   16 3  o 258.4280 2.697871  668.8801       13.94353  665.5585       19.61236  672.2750       19.82766  -1.295013      5.395742  
1 1 1 3   16 4  o 33.41840 0.5931865 11.16493       0.3963906 11.46213       0.5661878 10.87921       0.5551373 0.8721123      1.186373  
1 1 1 3   16 5  o 375.0405 3.904284  1411.405       29.28502  1414.341       41.52115  1408.500       41.31021  0.7721558      7.808569  
1 1 1 3   16 6  o 292.0618 3.044597  854.0179       17.77000  836.2193       24.55114  873.6020       25.75307  -6.370209      6.089193  
1 1 1 3   16 7  o 97.60217 1.086012  95.18785       2.118358  97.75869       3.068724  92.84761       2.927860  2.514633       2.172024  
1 1 1 3   16 8  o 144.9271 1.545763  210.1414       4.480263  209.2321       6.301525  211.0708       6.371145  -0.6334991     3.091526  
1 1 1 3   16 9  o 177.0756 1.872774  313.7552       6.631748  316.6995       9.462378  310.9129       9.297217  1.631531       3.745547  
1 1 1 3   16 10 o 333.5669 3.475155  1115.640       23.18364  1119.052       32.88640  1112.269       32.68774  1.011261       6.950311  
1 1 1 3   16 11 o 157.6307 1.673830  248.6337       5.276908  248.1104       7.447349  249.1613       7.478096  -0.3329163     3.347660  
1 1 1 3   16 12 o 28.18218 0.6296239 7.856700       0.3516540 9.526560       0.5256016 6.503486       0.4731513 5.363167       1.259248  
1 1 1 3   16 13 o 243.4065 2.545206  593.3779       12.38930  588.9785       17.38313  597.9197       17.66244  -1.830322      5.090411  
1 1 1 3   16 14 o 201.0003 2.112480  404.2943       8.488814  410.7874       12.21248  398.2245       11.80774  3.117188       4.224961  
1 1 1 3   16 15 o 305.3780 3.184858  935.0831       19.45082  929.9827       27.35077  940.3021       27.66718  -1.679901      6.369716  
1 1 1 3   16 16 o 22.71056 0.6931889 5.157609       0.3147940 5.119592       0.4402419 5.197383       0.4503003 -0.1711941     1.386378  
1 1 1 3   16 17 o 242.3571 2.537751  588.5007       12.30045  586.0217       17.31342  591.0271       17.47868  -1.028152      5.075503  
1 1 1 3   16 18 f 148.5062 1.583873  220.6947       4.703890  222.3413       6.705372  219.0993       6.600479  1.089676       3.167745  
1 1 1 3   16 19 o 108.9009 1.290587  118.9861       2.794869  115.3679       4.145716  122.0006       3.784076  -3.050919      2.581174  
1 1 1 3   16 20 o 125.6322 1.933547  158.0534       4.858226  158.5944       6.895649  157.5201       6.845761  0.4262619      3.867095  
1 1 1 3   16 21 o 124.4641 1.920154  154.3820       4.760520  147.0700       6.396313  163.4618       7.127702  -6.563736      3.840309  
1 1 1 3   16 22 o 184.9144 2.389750  344.5696       8.396803  348.5105       10.39919  337.1870       14.23334  3.208084       4.779501  
1 1 1 3   16 23 o 85.64980 0.9826027 73.22634       1.680311  76.16172       2.465246  70.67936       2.296368  3.197464       1.965205  
1 1 1 3   16 24 o 44.81431 0.6816916 19.94440       0.6087237 21.91070       0.9090579 18.34603       0.8196053 3.975864       1.363383  
1 1 1 3   16 25 o 164.1749 1.745739  270.0609       5.731797  268.3863       8.053994  271.7794       8.158998  -1.029068      3.491478  
1 1 1 3   16 26 o 160.3333 1.707891  257.2950       5.470445  264.5791       7.966585  250.7959       7.525041  4.277908       3.415783  
1 1 1 3   16 27 f 140.7056 1.512465  198.3827       4.256240  198.1304       6.013399  198.6360       6.025083  -0.1790771     3.024931  
1 1 1 3   16 28 o 58.58855 0.7635328 34.21066       0.8924526 36.21908       1.320387  32.52139       1.210941  3.152809       1.527066  
1 1 1 3   16 29 o 90.01357 1.026750  80.95605       1.845803  78.27685       2.529810  84.00590       2.699130  -3.175728      2.053501  
1 1 1 3   16 30 o 30.15599 0.6652208 9.099095       0.4006734 8.485168       0.5619458 9.733963       0.5714492 -2.070280      1.330442  
1 1 1 3   16 31 o 117.5963 1.288462  137.9506       3.019665  131.4368       4.069132  145.9345       4.504951  -6.138107      2.576923  
1 1 1 3   16 32 o 24.52401 0.8547654 6.014932       0.4190366 6.204739       0.6042981 5.839134       0.5815697 0.7444229      1.709531  
1 1 1 3   16 33 f 69.36725 0.8507669 47.81194       1.174899  44.56760       1.572184  51.91542       1.768142  -5.287300      1.701534  
1 1 1 3   16 34 o 18.62754 0.7968813 3.492837       0.2951588 3.222852       0.4299901 3.733401       0.4058871 -1.371519      1.593763  
1 1 1 3   16 35 o 74.71320 0.8987391 55.85029       1.342199  54.24429       1.860463  57.59337       1.938239  -2.236595      1.797478  
1 1 1 3   16 36 o 17.91358 0.8266261 3.189519       0.2944650 3.428860       0.4461402 3.004770       0.3919714 1.180573       1.653252  
1 1 1 3   16 37 o 40.87712 0.6889762 16.67261       0.5621282 17.56944       0.8278090 15.90519       0.7657514 2.032326       1.377952  
1 1 1 3   16 38 o 32.04562 0.7936410 10.02597       0.4952821 9.231475       0.6225861 11.39548       0.8174022 -3.363195      1.587282  
1 1 1 3   16 39 o 17.28308 1.041420  2.993687       0.3598110 3.066645       0.5186295 2.925984       0.4996029 0.4050179      2.082839  
1 1 1 3   16 40 o 31.73223 0.8760996 10.07486       0.5554833 10.49914       0.8073310 9.693428       0.7654825 1.265699       1.752199  
1 1 1 3   16 41 o 48.93430 0.9700161 24.00447       0.9490250 24.49140       1.363825  23.54735       1.321427  0.9600029      1.940032  
1 1 1 3   16 42 o 39.20002 0.8077554 15.27181       0.6065695 15.84688       1.025004  14.96190       0.7524700 1.102104       1.615511  
1 1 1 3   16 43 o 42.39937 1.125539  17.82568       0.9451984 19.73347       1.465350  16.46634       1.236919  3.818611       2.251079  
1 1 1 3   16 44 o 20.14599 1.341009  4.240330       0.5138354 4.697485       0.6565387 3.517639       0.8254769 2.958485       2.682018  
1 1 1 3   16 45 o 55.22853 0.7836619 30.49408       0.8644022 28.74586       1.186777  32.46951       1.261545  -3.362560      1.567324  
1 1 1 3   16 46 o 9.234210 1.466302  0.8123598      0.2932305 1.547328       0.4484595 0.2634621      0.3875563 6.319834       2.932604  
1 1 1 3   16 47 o 23.48357 0.8279211 5.568397       0.3863826 5.025142       0.5587831 6.066126       0.5348571 -2.219862      1.655842  
1 1 1 3   16 48 o 68.87667 1.033616  47.66280       1.422978  48.55994       2.055364  46.83693       1.972014  1.235504       2.067233  
1 1 1 3   16 49 o 85.47307 1.412759  73.19517       2.399114  68.48776       3.179541  79.41849       3.655815  -6.264679      2.825518  
1 1 1 3   16 50 o 23.64232 1.032562  5.638282       0.4868809 5.357696       0.7035810 5.896113       0.6744494 -1.144758      2.065125  
1 1 1 3   16 51 o 30.17829 0.9708854 9.138247       0.5852038 9.788830       0.8509817 8.554548       0.8060514 2.035276       1.941771  
1 1 1 3   16 52 o 35.08730 0.9798535 12.37434       0.6867685 11.54044       0.9556683 13.26488       0.9875931 -2.450199      1.959707  
1 1 1 3   16 53 f 25.46765 1.037838  6.533711       0.5281639 6.584978       0.7643691 6.486868       0.7306446 0.1837940      2.075676  
1 1 1 3   16 54 o 8.999000 2.824108  0.000000       0.000000  ?              ?         0.8280253      0.5650979 ?              ?         
1 1 1 3   17 0  o 27.13914 0.6197872 7.231070       0.3309737 9.355160       0.5034419 5.614223       0.4392353 6.891836       1.239574  
1 1 1 3   17 1  o 132.4640 1.420586  175.4796       3.762418  178.1070       5.400481  173.0017       5.244665  1.925323       2.841172  
1 1 1 3   17 2  o 289.8485 3.022093  839.6876       17.48065  811.7283       23.79967  872.4402       25.75920  -10.42697      6.044186  
1 1 1 3   17 3  o 100.5697 1.109424  101.1497       2.231124  100.1152       3.121592  102.2302       3.190096  -1.050888      2.218848  
1 1 1 3   17 4  o 48.64830 0.6709626 23.15623       0.6445263 20.57271       0.8342257 26.98213       1.015181  -6.586552      1.341925  
1 1 1 3   17 5  o 101.3194 1.118547  102.6792       2.266499  103.2522       3.224515  102.1197       3.186452  0.5585327      2.237094  
1 1 1 3   17 6  o 223.9067 2.346788  501.9233       10.50828  505.8554       14.98265  498.1164       14.74217  1.723587       4.693577  
1 1 1 3   17 7  o 184.4046 1.943614  340.3506       7.168126  341.4133       10.17011  339.3016       10.10473  0.5714722      3.887228  
1 1 1 3   17 8  o 71.77402 0.8486149 51.41260       1.216406  53.53889       1.779645  49.54821       1.666446  2.779190       1.697230  
1 1 1 3   17 9  o 120.7268 1.308898  144.5415       3.137940  135.8484       4.151303  156.1298       4.792975  -8.392220      2.617795  
1 1 1 3   17 10 o 167.7657 1.776100  281.6776       5.959279  280.8443       8.399460  282.5221       8.456213  -0.4991302     3.552200  
1 1 1 3   17 11 o 255.7323 2.673570  655.1129       13.67227  661.4366       19.54074  649.0481       19.13662  2.412018       5.347140  
1 1 1 3   17 12 o 198.2335 2.088057  393.3402       8.276722  388.9634       11.56419  397.9370       11.85120  -2.257553      4.176114  
1 1 1 3   17 13 o 350.4952 3.652948  1233.201       25.60658  1230.396       36.12093  1236.034       36.30611  -0.7973328     7.305895  
1 1 1 3   17 14 o 233.8649 2.449510  547.6538       11.45233  539.2031       15.92386  556.7079       16.48268  -3.727875      4.899021  
1 1 1 3   17 15 o 144.0089 1.539131  207.3409       4.429456  202.8326       6.119638  212.3018       6.419508  -3.282578      3.078262  
1 1 1 3   17 16 o 102.0362 1.394515  104.6859       2.689872  102.6226       4.611469  105.7500       3.311604  -1.553284      2.789029  
1 1 1 3   17 17 o 196.1447 2.930858  385.8672       11.49674  388.2595       16.36740  383.5374       16.15243  1.195847       5.861716  
1 1 1 3   17 18 o 229.0723 3.411608  525.8809       15.59794  508.6652       21.25933  545.9539       22.95587  -8.058609      6.823216  
1 1 1 3   17 19 o 109.9853 1.495147  120.8923       3.078247  120.5379       3.741263  121.6351       5.416056  -0.4607391     2.990293  
1 1 1 3   17 20 o 215.1998 2.262350  464.1419       9.736051  460.3073       13.64679  468.1171       13.89425  -1.805420      4.524700  
1 1 1 3   17 21 o 150.4666 1.607537  226.6103       4.835968  230.0238       6.948433  223.4036       6.734754  2.193665       3.215074  
1 1 1 3   17 22 o 149.7190 1.600645  224.3112       4.789495  219.7951       6.624771  229.2564       6.932436  -3.149292      3.201289  
1 1 1 3   17 23 o 157.7548 1.680430  248.7632       5.291831  258.0698       7.776508  240.7370       7.221799  5.471924       3.360861  
1 1 1 3   17 24 o 105.3635 1.165486  111.1210       2.455910  110.4745       3.455861  111.7807       3.490766  -0.6187897     2.330972  
1 1 1 3   17 25 o 22.94244 0.7299892 5.183564       0.3284219 6.835100       0.4967496 3.901078       0.4377435 6.393019       1.459978  
1 1 1 3   17 26 o 116.0968 1.271142  134.9264       2.950475  132.7097       4.107277  137.2901       4.241148  -1.966980      2.542283  
1 1 1 3   17 27 o 51.04431 0.7170101 25.96230       0.7303610 27.72088       1.077464  24.46735       0.9934206 3.184811       1.434020  
1 1 1 3   17 28 o 230.8415 2.435763  536.3479       11.24009  527.4368       15.60888  545.9459       16.19933  -3.948380      4.871526  
1 1 1 3   17 29 o 191.5692 2.031047  368.9247       7.781699  368.3001       10.98806  369.5532       11.02199  -0.3239441     4.062094  
1 1 1 3   17 30 o 123.4448 1.348249  152.5102       3.324097  157.3728       4.856364  148.2237       4.559621  3.686485       2.696498  
1 1 1 3   17 31 o 57.19350 0.8686185 32.74226       0.9935046 33.27416       1.415022  32.22514       1.395243  0.9161835      1.737237  
1 1 1 3   17 32 o 73.82959 0.8885994 54.08530       1.303115  58.64143       1.988369  50.65511       1.725275  5.395744       1.777199  
1 1 1 3   17 33 f 48.25764 0.7050972 23.25515       0.6793947 24.18604       0.9962447 22.44586       0.9289044 1.800137       1.410194  
1 1 1 3   17 34 o 41.40625 0.6852833 17.06703       0.5656669 15.34163       0.7707419 19.08149       0.8328061 -4.513092      1.370567  
1 1 1 3   17 35 o 43.31773 0.6907963 18.72519       0.5968056 19.51071       0.8840967 18.06757       0.8089252 1.662086       1.381593  
1 1 1 3   17 36 o 22.22798 0.7665887 4.790231       0.3307125 6.793551       0.5159465 3.393147       0.4308644 7.643753       1.533177  
1 1 1 3   17 37 o 13.27308 1.179799  1.751077       0.2757234 3.020373       0.4323393 0.8809101      0.3579683 8.179011       2.359598  
1 1 1 3   17 38 o 80.52184 0.9564235 64.97194       1.539508  65.97624       2.218446  64.03902       2.138158  1.195297       1.912847  
1 1 1 3   17 39 f 63.43328 0.8227170 40.32115       1.043679  40.08618       1.482087  40.55229       1.469958  -0.3684578     1.645434  
1 1 1 3   17 40 o 90.44250 1.050120  81.99116       1.897504  84.09024       2.760033  80.10984       2.612956  2.182991       2.100240  
1 1 1 3   17 41 o 58.90724 1.213957  34.60257       1.421337  37.28670       2.159978  32.55273       1.887593  3.977318       2.427915  
1 1 1 3   17 42 o 50.64898 1.118413  25.71381       1.132930  25.71381       1.132930  ?              ?         ?              ?         
1 1 1 3   17 43 o 10.27957 1.626762  1.061062       0.3421282 1.630686       0.5117450 0.6006953      0.4600568 4.880146       3.253524  
1 1 1 3   17 44 o 38.13822 0.9206470 14.59346       0.7020109 14.08367       0.9858304 15.11791       0.9999063 -1.354012      1.841294  
1 1 1 3   17 45 o 37.27011 0.8286558 13.91300       0.5980523 14.01362       0.9781964 13.85294       0.7557509 0.1867256      1.657312  
1 1 1 3   17 46 o 25.29465 0.8045049 6.450047       0.4048350 5.784212       0.5792175 7.085965       0.5660556 -2.575024      1.609010  
1 1 1 3   17 47 o 67.78886 1.021463  46.00354       1.380394  48.47315       2.054176  43.97005       1.863996  3.286942       2.042926  
1 1 1 3   17 48 o 14.04023 1.344858  1.973761       0.3760131 2.225744       0.5612471 1.768553       0.5064850 1.614043       2.689717  
1 1 1 3   17 49 o 30.65714 0.9538721 9.420440       0.5840237 10.05661       0.8522325 8.857152       0.8019293 1.946573       1.907744  
1 1 1 3   17 50 o 41.95484 0.9723917 17.61976       0.8136942 18.91872       1.206470  16.53586       1.102077  2.817127       1.944783  
1 1 1 3   17 51 o 33.45364 0.9660532 11.23771       0.6457435 11.77557       0.9380752 10.75331       0.8902400 1.517361       1.932106  
1 1 1 3   17 52 f 49.70744 1.036365  24.80323       1.028127  26.34814       1.515339  23.48541       1.399538  2.849545       2.072729  
1 1 1 3   17 53 o 24.46856 1.083155  6.004539       0.5276853 6.352680       0.7923309 5.727042       0.7073913 1.255926       2.166311  
1 1 1 3   18 0  o 183.2554 2.731173  336.1618       10.00261  329.2596       13.83027  343.7319       14.48401  -3.932770      5.462347  
1 1 1 3   18 1  o 157.3471 2.361315  245.8167       7.377405  231.4843       9.757630  264.9426       11.27188  -10.60002      4.722631  
1 1 1 3   18 2  o 92.72553 1.267159  85.90701       2.217858  86.34286       3.838133  85.68851       2.717482  0.3402557      2.534318  
1 1 1 3   18 3  o 73.11908 0.8637253 52.61841       1.249140  59.17332       1.950879  48.06371       1.626213  7.594391       1.727451  
1 1 1 3   18 4  o 192.3133 2.025778  370.2319       7.791572  369.4402       10.98506  371.0336       11.05315  -0.4130096     4.051556  
1 1 1 3   18 5  o 272.2898 2.844364  742.3308       15.47816  759.0333       22.41586  727.1104       21.39842  5.835175       5.688727  
1 1 1 3   18 6  o 211.2034 2.216895  446.3938       9.359748  454.4950       13.49148  438.8770       12.99580  3.687057       4.433790  
1 1 1 3   18 7  o 141.2887 1.512793  199.3815       4.268274  206.0965       6.246941  193.5017       5.845535  4.451279       3.025586  
1 1 1 3   18 8  o 273.4798 2.856381  749.5500       15.62182  754.9434       22.27274  744.3275       21.91674  1.930786       5.712762  
1 1 1 3   18 9  o 342.8943 3.575306  1180.096       24.51837  1185.139       34.82882  1175.142       34.52164  1.446442       7.150612  
1 1 1 3   18 10 o 221.9382 2.328594  492.4823       10.32012  508.5598       15.10505  478.4074       14.13309  6.768936       4.657189  
1 1 1 3   18 11 o 67.78651 0.8242636 45.93787       1.117059  45.20556       1.554275  46.72024       1.606541  -1.116768      1.648527  
1 1 1 3   18 12 o 132.4414 1.425529  174.3798       3.755710  165.2228       5.009691  186.1309       5.675076  -7.882629      2.851057  
1 1 1 3   18 13 f 65.35419 1.011418  42.47437       1.226750  43.40004       2.202026  42.05779       1.477219  1.018417       2.022835  
1 1 1 3   18 14 o 47.84418 1.035570  22.64457       0.9853103 25.99574       1.483474  19.99919       1.318030  6.264614       2.071139  
1 1 1 3   18 15 f 189.5835 2.839010  359.6257       10.74147  373.8452       15.82357  347.4732       14.62821  6.908905       5.678021  
1 1 1 3   18 16 o 353.9217 4.543264  1263.914       30.31269  1264.537       37.13918  1262.670       52.46396  1.296021       9.086528  
1 1 1 3   18 17 o 178.1222 1.884227  317.6368       6.709836  312.8178       9.334242  322.7894       9.652017  -2.789536      3.768454  
1 1 1 3   18 18 o 206.4942 2.172774  427.3606       8.973303  427.3384       12.69041  427.3828       12.68992  -0.1077271E-01 4.345548  
1 1 1 3   18 19 o 79.77573 0.9309917 63.56606       1.483703  65.79541       2.162315  61.58255       2.039604  2.638252       1.861983  
1 1 1 3   18 20 o 135.8684 1.462054  184.8286       3.972657  186.1385       5.658931  183.5556       5.578308  0.9479370      2.924108  
1 1 1 3   18 21 o 89.10553 1.016530  79.45129       1.811550  79.76184       2.568980  79.14415       2.554917  0.3462677      2.033060  
1 1 1 3   18 22 o 193.2696 2.041498  374.5147       7.887848  380.7270       11.35449  368.7204       10.96586  3.085129       4.082996  
1 1 1 3   18 23 o 50.77622 0.7176979 25.72679       0.7277880 24.55697       0.9970885 27.06073       1.064734  -2.464005      1.435396  
1 1 1 3   18 24 f 128.7224 1.394466  165.9882       3.589814  165.0869       5.047625  166.9106       5.106414  -0.7056427     2.788932  
1 1 1 3   18 25 o 154.8742 1.655751  240.5121       5.128661  240.4345       7.251830  240.5896       7.254214  -0.4992676E-01 3.311502  
1 1 1 3   18 26 o 154.7358 1.654938  239.7506       5.113911  232.6561       7.005948  247.8415       7.481807  -4.874741      3.309876  
1 1 1 3   18 27 o 98.70683 1.106967  97.57831       2.185230  97.97010       3.105461  97.19402       3.075521  0.3916321      2.213933  
1 1 1 3   18 28 o 137.7179 1.487562  189.1089       4.077775  179.5531       5.456479  201.1970       6.137012  -7.810471      2.975125  
1 1 1 3   18 29 o 64.32224 0.8842909 41.53978       1.133676  43.25610       1.560895  39.62360       1.649273  2.827637       1.768582  
1 1 1 3   18 30 o 47.11430 0.7107935 22.17766       0.6691208 23.05405       0.9728612 21.39092       0.9217645 1.763035       1.421587  
1 1 1 3   18 31 o 174.7429 1.863865  306.3877       6.501760  317.6846       9.550904  296.6312       8.875911  5.952164       3.727729  
1 1 1 3   18 32 o 17.83891 0.8293135 3.174504       0.2952790 3.376552       0.4348212 3.001590       0.4022530 1.049202       1.658627  
1 1 1 3   18 33 o 85.77713 0.9979368 73.44315       1.706862  77.18828       2.534944  70.33687       2.308633  3.977867       1.995874  
1 1 1 3   18 34 o 93.75172 1.071329  88.10349       2.008750  87.55818       2.831926  88.65567       2.849761  -0.5839005     2.142659  
1 1 1 3   18 35 o 28.78859 0.6932808 8.227507       0.3974892 9.180490       0.5948230 7.458576       0.5343037 2.987125       1.386562  
1 1 1 3   18 36 o 71.94791 0.8848574 51.86997       1.273201  51.77239       1.809289  51.96568       1.791991  -0.1357193     1.769715  
1 1 1 3   18 37 o 55.99425 0.7702301 31.38122       0.8617612 31.98149       1.250625  30.83853       1.189128  1.015766       1.540460  
1 1 1 3   18 38 o 46.36279 0.7228295 21.52669       0.6697499 21.58626       0.9665977 21.47167       0.9288672 0.1206779      1.445659  
1 1 1 3   18 39 o 17.01295 1.786024  2.865734       0.5706360 4.222597       0.8932837 1.930310       0.7416955 6.912855       3.572047  
1 1 1 3   18 40 o 14.72747 1.438868  2.129708       0.3816030 2.061362       0.4472967 2.312480       0.7314665 -0.8020325     2.877735  
1 1 1 3   18 41 o 31.48168 0.7135064 9.936851       0.4489114 9.703602       0.6424754 10.15936       0.6275026 -0.7252789     1.427013  
1 1 1 3   18 42 o 46.04541 1.169223  21.26255       1.073331  21.96186       1.592572  20.68056       1.452866  1.368523       2.338446  
1 1 1 3   18 43 o 86.50604 1.025534  75.16058       1.774235  74.93302       2.517475  75.38515       2.500900  -0.2638168     2.051068  
1 1 1 3   18 44 o 54.26760 0.7879882 29.52146       0.8546138 29.80598       1.235085  29.26010       1.183760  0.4964867      1.575976  
1 1 1 3   18 45 o 35.99965 0.8417566 13.09160       0.5983613 13.61157       0.7951171 12.41257       0.9086166 1.681969       1.683513  
1 1 1 3   18 46 o 114.6610 1.806972  133.6269       4.143722  134.0599       5.879842  133.1996       5.840570  0.3625183      3.613945  
1 1 1 3   18 47 o 30.32624 0.9327200 9.171402       0.5635756 10.25393       0.8384886 8.279376       0.7611454 3.241653       1.865440  
1 1 1 3   18 48 o 26.37520 0.9651127 6.979249       0.5085766 7.341432       0.7393771 6.654008       0.7006558 1.295622       1.930225  
1 1 1 3   18 49 o 33.23683 0.9485661 11.10754       0.6303095 10.69062       0.8850360 11.53665       0.8978875 -1.270012      1.897132  
1 1 1 3   18 50 o 24.30051 1.041527  5.952624       0.5051342 5.493643       0.7124589 6.416557       0.7162918 -1.898058      2.083054  
1 1 1 3   18 51 o 34.41518 0.9733307 11.84896       0.6678430 10.80529       0.9051636 13.09591       0.9893923 -3.307495      1.946661  
1 1 1 3   18 52 o 11.42122 2.340016  0.000000       0.000000  ?              ?         1.375842       0.5161027 ?              ?         
1 1 1 3   19 0  o 148.2776 1.582243  219.8309       4.688829  224.8329       6.787717  215.2655       6.484670  3.221252       3.164487  
1 1 1 3   19 1  o 147.9675 1.578428  219.1036       4.671108  218.9527       6.598166  219.2552       6.613751  -0.1019592     3.156856  
1 1 1 3   19 2  o 48.44187 0.8218727 22.93708       0.7399096 22.08062       0.8865096 24.90360       1.343318  -2.909893      1.643745  
1 1 1 3   19 3  o 88.46471 1.412044  78.28552       2.497621  77.46165       3.484073  79.15650       3.582315  -0.9564590     2.824087  
1 1 1 3   19 4  o 277.1104 4.100214  770.7987       22.69869  792.3017       33.05176  751.6039       31.22746  7.263031       8.200427  
1 1 1 3   19 5  o 279.1797 4.131704  783.4432       23.06823  778.3130       32.40032  788.7172       32.85116  -1.843079      8.263408  
1 1 1 3   19 6  o 298.8402 3.837457  892.4149       21.44017  910.5544       37.92699  883.8956       25.99172  3.961487       7.674915  
1 1 1 3   19 7  o 252.1751 2.638973  637.3339       13.30966  637.8444       18.83665  636.8250       18.80877  0.2012939      5.277946  
1 1 1 3   19 8  o 39.67249 0.6528558 15.68721       0.5169439 17.14329       0.7545128 14.39902       0.7096832 3.458313       1.305712  
1 1 1 3   19 9  f 247.9231 3.180040  618.1078       14.91327  612.5748       25.59874  620.9505       18.34860  -1.960510      6.360081  
1 1 1 3   19 10 f 90.26743 1.469147  81.54100       2.652257  81.08398       3.734870  82.00593       3.767051  -0.5100861     2.938293  
1 1 1 3   19 11 f 109.5869 1.719633  119.4848       3.750141  113.2811       5.011417  127.3798       5.653435  -6.417892      3.439266  
1 1 1 3   19 12 o 132.7675 1.850537  177.0831       4.838344  179.8671       6.339934  173.2005       7.487179  2.541092       3.701075  
1 1 1 3   19 13 o 92.19276 1.042417  84.35982       1.910580  79.24204       2.539623  91.03326       2.900042  -6.389069      2.084835  
1 1 1 3   19 14 o 113.9637 1.246472  129.9686       2.841046  130.2092       4.022608  129.7291       4.013100  0.2104645      2.492944  
1 1 1 3   19 15 o 153.8212 1.640080  236.3884       5.036335  245.2053       7.396045  228.7654       6.877137  5.329468       3.280160  
1 1 1 3   19 16 o 84.98839 0.9776455 71.40233       1.646789  66.24295       2.160695  78.55309       2.543727  -7.235222      1.955291  
1 1 1 3   19 17 o 99.69714 1.112852  99.36156       2.217185  102.0312       3.214440  96.93876       3.062241  2.550369       2.225703  
1 1 1 3   19 18 o 92.26877 1.044870  85.06193       1.926018  87.90598       2.805610  82.52700       2.648754  2.911102       2.089739  
1 1 1 3   19 19 o 56.73386 0.7487655 32.19271       0.8495095 32.80748       1.211539  31.59812       1.191488  1.065449       1.497531  
1 1 1 3   19 20 f 138.9968 1.495470  193.2818       4.152644  188.3665       5.712675  198.7893       6.047028  -3.735306      2.990941  
1 1 1 3   19 21 o 52.86849 0.7263042 27.77698       0.7651428 30.21155       1.143464  25.80306       1.029618  4.166702       1.452608  
1 1 1 3   19 22 o 225.5799 2.375749  511.2374       10.71212  502.0290       14.84817  521.2322       15.46937  -4.206955      4.751499  
1 1 1 3   19 23 o 148.2194 1.589180  220.0904       4.708181  215.9678       6.525650  224.5664       6.799541  -2.885193      3.178360  
1 1 1 3   19 24 o 107.3939 1.189347  115.5111       2.554345  116.4097       3.641712  114.6408       3.583763  0.8207092      2.378694  
1 1 1 3   19 25 f 150.7881 1.616624  228.0058       4.873292  224.3436       6.774632  231.9329       7.015425  -2.499130      3.233249  
1 1 1 3   19 26 o 117.7429 1.291120  138.9236       3.040127  137.8681       4.265003  140.0138       4.334620  -0.9069748     2.582240  
1 1 1 3   19 27 f 46.77482 0.7059157 21.39935       0.6525172 18.65144       0.8476137 25.39703       1.022352  -7.204514      1.411831  
1 1 1 3   19 28 o 110.6157 1.410547  122.7266       3.120572  122.8172       4.412932  122.6359       4.413379  0.8194733E-01  2.821095  
1 1 1 3   19 29 o 48.45084 0.7180423 23.16692       0.6904024 26.22701       1.059870  20.91134       0.9099426 5.479607       1.436085  
1 1 1 3   19 30 o 49.55588 0.7209946 24.55436       0.7141396 25.29955       1.032649  23.87127       0.9886773 1.439117       1.441989  
1 1 1 3   19 31 o 33.65970 0.6865420 11.26009       0.4601912 9.951996       0.6240643 12.81920       0.6813153 -4.256369      1.373084  
1 1 1 3   19 32 o 67.65285 0.8523467 45.65723       1.150352  43.44542       1.560471  48.28991       1.702476  -3.571831      1.704693  
1 1 1 3   19 33 o 34.34038 0.6900743 11.65976       0.4709462 13.23407       0.7158061 10.45817       0.6253567 4.036755       1.380149  
1 1 1 3   19 34 o 141.2668 1.530755  200.6721       4.324476  198.6897       6.064229  202.7233       6.168571  -1.413910      3.061511  
1 1 1 3   19 35 o 81.44759 0.9639220 66.50180       1.570025  66.67793       2.237555  66.33099       2.203538  0.2098312      1.927844  
1 1 1 3   19 36 o 24.64976 1.069031  5.171873       0.4424910 7.914360       1.008287  4.517700       0.4924454 6.831886       2.138062  
1 1 1 3   19 37 f 54.33305 1.165295  29.65087       1.265322  28.19201       1.782017  31.13428       1.796947  -2.705723      2.330589  
1 1 1 3   19 38 f 43.18297 0.7131771 18.60102       0.6142612 19.72198       0.9107286 17.66551       0.8319938 2.374428       1.426354  
1 1 1 3   19 39 f 35.74797 0.7104232 12.63012       0.5041058 14.26521       0.7728519 11.41933       0.6650566 3.970589       1.420846  
1 1 1 3   19 40 o 47.58099 0.7451520 22.57722       0.7069446 24.08930       1.051117  21.32830       0.9552815 2.891685       1.490304  
1 1 1 3   19 41 o 64.20998 1.268486  41.43556       1.625352  42.37027       2.390526  40.63197       2.216515  1.322174       2.536972  
1 1 1 3   19 42 o 54.40886 0.7858166 29.67393       0.8548592 28.68566       1.200675  30.68994       1.217406  -1.839935      1.571633  
1 1 1 3   19 43 o 12.01026 1.371362  1.584217       0.3005242 0.9046336      0.4387944 2.184618       0.4124398 -5.473600      2.742724  
1 1 1 3   19 44 o 17.09159 1.003861  2.968444       0.3389818 2.499604       0.4876608 3.406782       0.4715312 -2.656691      2.007721  
1 1 1 3   19 45 o 103.6990 1.378579  108.2015       2.851400  113.3641       4.223598  103.8779       3.865175  4.485573       2.757159  
1 1 1 3   19 46 o 61.06773 1.114435  37.33872       1.356380  35.15323       1.827320  40.02043       2.024169  -3.942463      2.228871  
1 1 1 3   19 47 o 34.32100 0.9456334 11.81372       0.6480623 10.92236       0.8954059 12.79433       0.9391554 -2.718742      1.891267  
1 1 1 3   19 48 o 41.58700 0.9673805 17.38686       0.8043403 16.79453       1.123574  18.00953       1.151976  -1.454670      1.934761  
1 1 1 3   19 49 o 72.06012 1.256846  52.44712       1.811166  51.95948       2.538497  52.95274       2.584885  -0.6759109     2.513692  
1 1 1 3   19 50 o 76.73759 1.601182  60.65904       2.363441  57.22295       3.854067  62.72998       2.992067  -3.927841      3.202364  
1 1 1 3   19 51 o 38.67571 2.149594  15.19686       1.662742  15.19686       1.662742  ?              ?         ?              ?         
1 1 1 3   20 0  o 131.2429 1.413471  172.3565       3.710024  173.3443       5.274250  171.3889       5.219707  0.7440186      2.826941  
1 1 1 3   20 1  o 286.3226 2.991050  821.4351       17.11187  842.2566       24.85550  802.6744       23.59346  6.865967       5.982100  
1 1 1 3   20 2  o 136.6014 1.466862  186.7216       4.007217  188.2195       5.708947  185.2669       5.626084  1.079224       2.933723  
1 1 1 3   20 3  o 199.3223 2.098508  397.4649       8.357527  407.7498       12.14274  388.2072       11.52045  4.885788       4.197015  
1 1 1 3   20 4  o 199.3364 2.098838  397.9084       8.366066  402.2267       11.96487  393.7776       11.70231  2.112167       4.197675  
1 1 1 3   20 5  o 177.0962 2.316093  310.4157       7.584858  324.3474       13.77531  304.3543       9.086266  5.501404       4.632186  
1 1 1 3   20 6  o 45.98728 1.426991  21.15680       1.312468  21.15680       1.312468  ?              ?         ?              ?         
1 1 1 3   20 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   20 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   20 9  o 245.5199 5.153962  606.3745       25.30800  606.3745       25.30800  ?              ?         ?              ?         
1 1 1 3   20 10 o 150.6153 1.972465  226.2757       5.579659  230.0965       9.778751  224.4311       6.794230  1.786682       3.944930  
1 1 1 3   20 11 o 48.32071 0.7537075 23.19506       0.7176291 24.26277       1.126129  22.46501       0.9311942 1.857773       1.507415  
1 1 1 3   20 12 o 139.7030 1.500282  194.6947       4.179621  186.8179       5.657027  204.1631       6.202285  -6.193085      3.000564  
1 1 1 3   20 13 o 127.0337 1.376300  161.1824       3.490279  167.3056       5.126536  155.8918       4.765243  4.482529       2.752600  
1 1 1 3   20 14 o 120.8599 1.316571  145.7591       3.174364  152.5337       4.694672  140.0530       4.308591  5.152252       2.633141  
1 1 1 3   20 15 o 161.4930 1.719237  260.9774       5.547151  268.1095       8.067919  254.5829       7.639328  4.171021       3.438474  
1 1 1 3   20 16 o 187.7326 1.984687  353.4041       7.451741  354.3116       10.56561  352.5059       10.51130  0.4782562      3.969373  
1 1 1 3   20 17 o 150.6678 1.612202  226.8142       4.846688  236.5466       7.155222  218.5629       6.588322  5.942917       3.224405  
1 1 1 3   20 18 o 81.05134 0.9484061 65.73708       1.537265  65.22437       2.157363  66.26593       2.191072  -0.6415558     1.896812  
1 1 1 3   20 19 o 134.4501 1.451666  180.8008       3.897945  186.8780       5.698912  175.4582       5.343309  4.229874       2.903332  
1 1 1 3   20 20 o 95.09142 1.071749  90.50883       2.038031  91.45683       2.910061  89.59627       2.855147  0.9762878      2.143498  
1 1 1 3   20 21 o 53.96685 0.7368959 28.80392       0.7899048 26.36568       1.044939  32.05500       1.206610  -5.266678      1.473792  
1 1 1 3   20 22 o 46.38592 0.6911796 21.38338       0.6389793 23.41541       0.9526699 19.72167       0.8614990 3.978836       1.382359  
1 1 1 3   20 23 o 17.61965 0.8294394 3.119562       0.2900522 2.659204       0.4079743 3.590084       0.4124539 -2.641432      1.658879  
1 1 1 3   20 24 o 166.3076 1.774935  277.7313       5.903538  276.4452       8.311146  279.0410       8.387100  -0.7740936     3.549870  
1 1 1 3   20 25 o 96.92236 1.094238  94.09962       2.121120  94.08891       3.001645  94.11031       2.997792  -0.1126862E-01 2.188475  
1 1 1 3   20 26 o 89.90202 1.430144  81.00260       2.569686  79.26634       3.555454  82.90144       3.718177  -2.009254      2.860287  
1 1 1 3   20 27 o 99.24515 1.118931  98.67995       2.220773  99.39637       3.165840  97.98589       3.116046  0.7075043      2.237861  
1 1 1 3   20 28 f 72.94064 0.8859102 53.27270       1.292325  53.53268       1.837465  53.01822       1.817939  0.3516083      1.771820  
1 1 1 3   20 29 o 116.9450 1.287777  137.1088       3.010241  139.8710       4.346637  134.5630       4.172923  2.254013       2.575554  
1 1 1 3   20 30 o 25.53490 0.7517377 6.470645       0.3803898 5.337944       0.5144647 7.836715       0.5649818 -4.890213      1.503475  
1 1 1 3   20 31 o 30.42057 0.7074643 9.188143       0.4282917 8.048503       0.5789916 10.56530       0.6364725 -4.133537      1.414929  
1 1 1 3   20 32 f 29.41591 0.7192752 8.613714       0.4216550 9.694367       0.6212473 7.690688       0.5741534 3.402937       1.438550  
1 1 1 3   20 33 o 72.05461 0.8840992 52.01935       1.274010  51.35513       1.793334  52.69614       1.810229  -0.9291916     1.768198  
1 1 1 3   20 34 f 33.13646 1.136818  11.08052       0.7493161 10.12763       1.084105  11.95216       1.036859  -2.758520      2.273637  
1 1 1 3   20 35 o 20.55315 1.230490  4.325982       0.4916042 4.660141       0.6402186 3.845865       0.7674044 1.997221       2.460979  
1 1 1 3   20 36 o 13.50937 1.098412  1.809827       0.2941969 1.998371       0.4538267 1.673161       0.3863790 1.195187       2.196824  
1 1 1 3   20 37 o 77.11258 0.9363025 59.46786       1.440368  62.03047       2.129462  57.30662       1.955602  3.042915       1.872605  
1 1 1 3   20 38 o 120.2296 1.334708  145.4575       3.208126  147.5111       4.615126  143.5372       4.462664  1.625626       2.669415  
1 1 1 3   20 39 o 28.31832 0.7410759 8.040479       0.4190373 7.959476       0.6085727 8.113509       0.5778376 -0.2750816     1.482152  
1 1 1 3   20 40 f 84.98199 1.011773  72.40730       1.717222  74.60577       2.509274  70.47070       2.355090  2.410233       2.023546  
1 1 1 3   20 41 o 58.83707 0.8155228 34.71880       0.9595386 34.08057       1.356882  35.35723       1.357103  -1.084885      1.631046  
1 1 1 3   20 42 o 47.85387 0.7612304 22.95934       0.7282068 21.99200       1.022237  23.95600       1.037615  -2.050102      1.522461  
1 1 1 3   20 43 f 28.81204 0.8190059 8.340218       0.4713058 8.704846       0.6603267 7.961561       0.6729054 1.291702       1.638012  
1 1 1 3   20 44 o 52.48055 0.9759949 27.75352       1.021298  29.03133       1.412479  26.35357       1.478445  2.562832       1.951990  
1 1 1 3   20 45 o 53.17216 1.038671  28.42490       1.104176  27.77440       1.536721  29.11919       1.587602  -1.254150      2.077342  
1 1 1 3   20 46 f 24.47829 0.9964052 6.011133       0.4871673 6.395587       0.7100089 5.669116       0.6696760 1.475544       1.992810  
1 1 1 3   20 47 f 9.146343 1.862950  0.8360821      0.3593318 1.130273       0.5609381 0.6313428      0.4679517 2.355390       3.725901  
1 1 1 3   20 48 o 44.93501 0.9953168 20.31256       0.8942935 20.83052       1.280142  19.81882       1.249846  1.118801       1.990634  
1 1 1 3   20 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   20 50 o 32.06343 0.9984010 10.35278       0.6401726 10.24125       0.9086716 10.46269       0.9020463 -0.3469334     1.996802  
1 1 1 3   21 0  o 117.3847 1.280931  137.5230       3.000719  143.2956       4.422208  132.5969       4.085123  4.550179       2.561861  
1 1 1 3   21 1  f 216.6660 2.793132  471.6018       11.42777  469.6165       19.70763  472.6075       14.02675  -0.9424133     5.586264  
1 1 1 3   21 2  f 85.99693 1.407662  73.33723       2.405252  79.87753       3.665091  68.38969       3.187726  6.668297       2.815323  
1 1 1 3   21 3  o 180.9097 2.718254  328.1353       9.828590  335.4382       14.21563  321.4472       13.60399  3.839554       5.436509  
1 1 1 3   21 4  f 76.06766 1.287514  57.86483       1.957787  56.59811       2.716866  59.23311       2.823680  -1.729713      2.575028  
1 1 1 3   21 5  o 63.94566 0.9992399 39.91626       1.164607  38.57438       1.375418  43.31518       2.189014  -3.693184      1.998480  
1 1 1 3   21 6  o 126.2701 1.367818  159.3357       3.449611  154.9776       4.733263  164.2730       5.037952  -3.673347      2.735636  
1 1 1 3   21 7  o 101.0392 1.125031  102.1536       2.273342  101.7336       3.197342  102.5829       3.232937  -0.4195175     2.250062  
1 1 1 3   21 8  o 149.5974 1.598670  224.0956       4.782784  225.8045       6.814147  222.4362       6.714706  1.122604       3.197340  
1 1 1 3   21 9  o 71.20290 0.8596034 50.64598       1.223045  52.48974       1.775916  48.98259       1.686814  2.461159       1.719207  
1 1 1 3   21 10 o 46.69617 0.6980050 21.82043       0.6516212 22.23277       0.9145630 21.39528       0.9286618 0.8969574      1.396010  
1 1 1 3   21 11 o 47.48923 0.8232520 23.04925       0.7621023 25.35188       1.005102  19.93498       1.168899  5.706371       1.646504  
1 1 1 3   21 12 o 132.5757 2.015259  176.2567       5.343460  176.6778       7.571282  175.8389       7.542387  0.3149872      4.030519  
1 1 1 3   21 13 f 70.73955 1.184510  49.95290       1.672943  52.45423       2.455771  47.78693       2.285221  3.293579       2.369020  
1 1 1 3   21 14 o 176.7828 2.650971  314.2146       9.370270  310.3419       13.06753  318.3134       13.44360  -2.225845      5.301942  
1 1 1 3   21 15 o 136.5459 1.799417  186.5808       4.627409  188.1761       8.048739  185.7932       5.655546  0.7396240      3.598834  
1 1 1 3   21 16 o 52.10690 0.7188113 27.13781       0.7487251 28.07225       1.079488  26.27154       1.039365  1.726948       1.437623  
1 1 1 3   21 17 o 108.8248 1.202935  118.5542       2.617445  117.0157       3.650065  120.1828       3.755437  -1.450806      2.405869  
1 1 1 3   21 18 o 104.0674 1.156721  108.4497       2.407530  108.3125       3.398916  108.5879       3.410636  -0.1317825     2.313443  
1 1 1 3   21 19 o 76.04392 0.9035348 57.88015       1.374145  58.22883       1.949770  57.53601       1.936963  0.4550629      1.807070  
1 1 1 3   21 20 o 73.58091 0.8832888 54.13575       1.298935  55.70562       1.880903  52.70443       1.795981  2.036041       1.766578  
1 1 1 3   21 21 o 71.97466 0.8707398 51.84294       1.253257  52.54971       1.790334  51.16385       1.754943  0.9613266      1.741480  
1 1 1 3   21 22 f 69.64163 0.8554701 48.54642       1.191491  48.35086       1.677298  48.74563       1.692855  -0.2827835     1.710940  
1 1 1 3   21 23 o 113.3622 1.250530  128.7873       2.834997  129.8775       4.042371  127.7320       3.977011  0.9420853      2.501060  
1 1 1 3   21 24 o 75.92957 1.251793  57.75658       1.900074  56.73384       2.638962  58.85751       2.737995  -1.391762      2.503585  
1 1 1 3   21 25 o 97.98734 1.107471  95.63039       2.160449  101.9839       3.248186  90.58968       2.893205  5.792053       2.214943  
1 1 1 3   21 26 o 87.53324 1.013967  76.75387       1.775066  76.27112       2.498903  77.24555       2.521900  -0.5551758     2.027933  
1 1 1 3   21 27 o 33.70368 0.6817849 11.37155       0.4594080 10.99766       0.6486291 11.74792       0.6507781 -1.112926      1.363570  
1 1 1 3   21 28 o 12.84315 1.184923  1.654055       0.2800826 2.503378       0.4271107 1.013278       0.3709859 5.929263       2.369847  
1 1 1 3   21 29 o 22.81005 0.7805337 5.214633       0.3545551 4.606211       0.4959928 5.850416       0.5070224 -2.726665      1.561067  
1 1 1 3   21 30 o 75.49847 0.9208098 56.98673       1.388315  59.36982       2.032299  54.90157       1.901018  2.949120       1.841620  
1 1 1 3   21 31 f 52.75610 0.9866928 26.79654       0.9226681 30.29403       1.831880  25.60767       1.068033  4.375294       1.973386  
1 1 1 3   21 32 o 83.46724 1.447917  69.60002       2.405614  74.88969       3.623042  65.42925       3.217122  5.608635       2.895834  
1 1 1 3   21 33 o 78.21346 0.9516253 61.33523       1.488559  60.98729       2.095818  61.68944       2.114588  -0.4469910     1.903251  
1 1 1 3   21 34 o 49.69220 0.7400521 24.30314       0.7278787 27.80588       1.133470  21.84499       0.9495349 5.982716       1.480104  
1 1 1 3   21 35 o 44.13155 0.7183733 19.51550       0.6337269 18.76311       0.8952748 20.27110       0.8971786 -1.708347      1.436747  
1 1 1 3   21 36 o 8.536619 1.575800  0.7803473      0.2776950 0.5377514      0.4209518 0.9672632      0.3694996 -2.175538      3.151599  
1 1 1 3   21 37 o 25.51177 0.7638496 6.513006       0.3894175 6.775557       0.5649517 6.275341       0.5375113 0.9775238      1.527699  
1 1 1 3   21 38 f 31.58234 0.7337455 9.980821       0.4609010 8.607230       0.6372261 11.48780       0.6674488 -4.557304      1.467491  
1 1 1 3   21 39 o 65.03986 0.8518273 42.26770       1.104700  44.42045       1.640944  40.48336       1.493945  3.008343       1.703655  
1 1 1 3   21 40 o 14.80742 1.091812  2.198899       0.3216783 2.255433       0.4825238 2.153674       0.4315720 0.3348446      2.183625  
1 1 1 3   21 41 o 53.94976 0.7901602 29.16571       0.8516909 29.81360       1.238126  28.58377       1.173423  1.130871       1.580320  
1 1 1 3   21 42 o 28.50943 0.8708546 8.122998       0.4909354 7.930127       0.6440057 8.390578       0.7585461 -0.7899475     1.741709  
1 1 1 3   21 43 o 33.20339 0.8922088 11.10466       0.5900728 12.20269       0.8320152 9.993478       0.8369848 3.327608       1.784418  
1 1 1 3   21 44 o 28.30108 0.9779263 8.064345       0.5527059 7.678899       0.7893288 8.435139       0.7741798 -1.339006      1.955853  
1 1 1 3   21 45 o 34.32733 0.9433438 11.81227       0.6466717 12.63646       0.9444169 11.08473       0.8873154 2.248524       1.886688  
1 1 1 3   21 46 o 45.98244 1.132673  19.55552       0.9740644 16.74387       1.155942  26.44168       1.809022  -10.38111      2.265347  
1 1 1 3   21 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   21 48 o 6.905429 1.863211  0.3338886      0.3571022 0.4535223      0.5338248 0.2369930      0.4804234 1.014315       3.726422  
1 1 1 3   21 49 o 9.592620 2.666902  0.000000       0.000000  ?              ?         0.9716352      0.5298496 ?              ?         
1 1 1 3   22 0  f 52.44865 0.8923144 27.58325       0.8751252 27.69491       1.064404  27.35031       1.537367  0.3377113      1.784629  
1 1 1 3   22 1  o 36.02216 0.6510192 12.98159       0.4688388 13.43342       0.6643265 12.53325       0.6617573 1.249435       1.302038  
1 1 1 3   22 2  o 64.88737 0.8053812 42.11535       1.045109  42.66839       1.488356  41.57742       1.467872  0.8402939      1.610762  
1 1 1 3   22 3  o 107.2918 1.185783  115.2014       2.544197  116.3789       3.632038  114.0669       3.564974  1.075645       2.371567  
1 1 1 3   22 4  o 160.0182 1.704599  256.4195       5.453090  260.7932       7.848250  252.3372       7.582293  2.631638       3.409199  
1 1 1 3   22 5  o 120.9077 1.317032  146.1488       3.181173  150.5402       4.633699  142.2339       4.375143  3.426865       2.634064  
1 1 1 3   22 6  o 99.53697 1.111393  98.75405       2.205637  104.1452       3.279085  94.29938       2.980704  4.937683       2.222785  
1 1 1 3   22 7  o 66.28958 0.8197294 43.84612       1.084996  45.99798       1.591371  41.97694       1.483169  3.030663       1.639459  
1 1 1 3   22 8  f 102.3836 1.139203  104.9278       2.332707  104.9783       3.295660  104.8770       3.302242  0.4968262E-01  2.278405  
1 1 1 3   22 9  o 88.33205 1.010563  78.08950       1.785295  78.41319       2.527448  77.76718       2.522136  0.3655167      2.021126  
1 1 1 3   22 10 o 92.47571 1.047628  85.43588       1.934977  88.59717       2.827288  82.65050       2.653879  3.209755       2.095256  
1 1 1 3   22 11 f 86.83144 0.9954008 75.38673       1.727216  73.66060       2.385064  77.29025       2.504625  -2.086250      1.990802  
1 1 1 3   22 12 o 58.99014 0.7646848 34.74065       0.9010822 36.41153       1.314399  33.25909       1.237702  2.670059       1.529370  
1 1 1 3   22 13 o 135.8470 1.465341  184.9171       3.981129  185.8728       5.656268  183.9789       5.604423  0.6944580      2.930681  
1 1 1 3   22 14 o 29.07456 0.6711078 8.368376       0.3862315 10.25845       0.5765321 6.829460       0.5202252 5.895573       1.342216  
1 1 1 3   22 15 o 56.61036 0.8854578 32.65868       0.9773341 35.21267       1.279587  29.08251       1.514151  5.422222       1.770916  
1 1 1 3   22 16 f 7.297568 1.572848  0.5361239      0.2518142 0.6056273      0.3461004 0.4579469      0.3670613 0.7447081      3.145696  
1 1 1 3   22 17 o 38.28140 0.8538412 14.65672       0.6533623 14.34230       0.9058461 14.99766       0.9432780 -0.8545570     1.707682  
1 1 1 3   22 18 o 66.93734 1.135916  44.85096       1.519849  44.03592       2.107481  45.73421       2.193906  -1.264069      2.271831  
1 1 1 3   22 19 o 90.38997 1.435665  81.08679       2.574570  75.69289       3.391903  88.41836       3.954483  -7.000519      2.871331  
1 1 1 3   22 20 o 172.7278 2.243399  302.0933       7.384151  295.1551       12.42982  305.8774       9.179525  -3.467804      4.486798  
1 1 1 3   22 21 o 103.3279 1.156685  106.1142       2.375549  99.67920       3.154627  114.5428       3.610372  -7.164406      2.313370  
1 1 1 3   22 22 o 15.08652 1.130234  2.265820       0.3375657 2.758515       0.4982907 1.847912       0.4589165 3.015513       2.260468  
1 1 1 3   22 23 o 111.5710 1.236893  124.6686       2.757815  127.7520       3.997561  121.8684       3.809511  2.623238       2.473786  
1 1 1 3   22 24 o 96.13277 1.091396  92.44791       2.095490  95.66418       3.062119  89.61513       2.873780  3.133003       2.182793  
1 1 1 3   22 25 o 43.74037 0.7005003 19.15083       0.6127972 19.04212       0.8660925 19.25981       0.8671606 -0.2487984     1.401001  
1 1 1 3   22 26 o 131.6852 1.434264  174.0052       3.775508  170.7550       5.239596  177.5153       5.445078  -2.546127      2.868527  
1 1 1 3   22 27 o 21.11766 0.8013226 4.469214       0.3380420 4.384809       0.4873308 4.547492       0.4693058 -0.3862953     1.602645  
1 1 1 3   22 28 o 25.20772 1.154132  7.017627       0.4809183 5.215357       0.9454737 7.646678       0.5585763 -4.856571      2.308265  
1 1 1 3   22 29 o 103.1790 1.683799  107.2077       3.474251  107.9480       4.957641  106.4934       4.870193  0.6917648      3.367598  
1 1 1 3   22 30 o 29.69151 1.044914  8.573057       0.5293489 8.337700       0.6030401 9.363374       1.105051  -1.676838      2.089828  
1 1 1 3   22 31 f 99.08589 1.130379  98.48438       2.238895  100.5065       3.230554  96.61555       3.105688  1.948662       2.260758  
1 1 1 3   22 32 o 59.69418 0.8109532 35.65725       0.9673593 34.55833       1.334764  36.87306       1.403962  -1.932705      1.621906  
1 1 1 3   22 33 o 96.92691 1.113384  94.01387       2.152868  98.67916       3.184831  90.08838       2.921425  4.397179       2.226768  
1 1 1 3   22 34 o 77.73604 0.9414924 60.57455       1.462766  61.78106       2.115460  59.46917       2.024842  1.476273       1.882985  
1 1 1 3   22 35 o 35.27552 0.7219261 12.30772       0.5049663 10.30948       0.6759236 14.83164       0.7596464 -6.401688      1.443852  
1 1 1 3   22 36 o 59.76533 0.8129840 35.81290       0.9715251 35.70576       1.388338  35.91571       1.359989  -0.1788063     1.625968  
1 1 1 3   22 37 o 61.51513 0.8249206 37.95061       1.014792  37.64853       1.442126  38.24689       1.428239  -0.4880295     1.649841  
1 1 1 3   22 38 o 34.81133 0.7350316 12.09239       0.5102614 12.83543       0.7577067 11.47579       0.6902398 1.945435       1.470063  
1 1 1 3   22 39 f 14.84648 1.176343  2.335162       0.3273867 1.451183       0.4733700 3.145676       0.4532731 -5.710437      2.352686  
1 1 1 3   22 40 o 20.41544 0.8926943 4.164978       0.3631653 4.404252       0.5422254 3.970321       0.4890653 1.054388       1.785389  
1 1 1 3   22 41 f 32.75185 0.8518580 10.69738       0.5459440 10.44404       0.6990628 11.09348       0.8741060 -0.9648857     1.703716  
1 1 1 3   22 42 o 39.99453 0.9075760 16.10010       0.7242609 17.21660       1.018415  14.95759       1.030206  2.826202       1.815152  
1 1 1 3   22 43 o 6.343289 1.726770  0.3285225E-01  0.3490180 0.6495637      0.5300418 -0.4392363     0.4637467 3.714029       3.453540  
1 1 1 3   22 44 o 13.04516 1.556440  1.789179       0.3877532 1.543424       0.5850012 1.981753       0.5178502 -1.913713      3.112880  
1 1 1 3   22 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   22 46 o 47.70568 1.018603  22.84536       0.9702596 24.27139       1.422204  21.60378       1.327042  2.772709       2.037206  
1 1 1 3   22 47 o 16.91276 1.257826  2.856100       0.4226861 3.234917       0.6436321 2.568827       0.5604918 1.943175       2.515652  
1 1 1 3   22 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   23 0  o 124.0919 1.349174  153.4834       3.335186  146.3602       4.483550  162.3081       4.990383  -6.404884      2.698349  
1 1 1 3   23 1  o 94.34639 1.063736  89.08530       2.006961  90.05314       2.864982  88.15272       2.812294  1.005424       2.127472  
1 1 1 3   23 2  o 85.23210 0.9827009 71.68488       1.658220  79.77686       2.576882  65.96586       2.166341  8.089363       1.965402  
1 1 1 3   23 3  o 99.85774 1.116009  99.81536       2.228596  99.06956       3.124257  100.5880       3.179900  -0.7583084     2.232017  
1 1 1 3   23 4  o 107.0510 1.184709  114.2676       2.528414  120.5297       3.761411  109.1057       3.415064  5.322510       2.369417  
1 1 1 3   23 5  o 51.33397 0.7164867 26.29943       0.7343556 25.30603       1.003581  27.44438       1.077417  -2.081051      1.432973  
1 1 1 3   23 6  o 38.76004 0.6564306 14.87971       0.5062922 16.93644       0.7597100 13.23644       0.6790681 4.771187       1.312861  
1 1 1 3   23 7  o 58.82716 0.7625986 34.58826       0.8966957 35.72489       1.295689  33.54347       1.242237  1.852711       1.525197  
1 1 1 3   23 8  o 151.1154 1.618675  228.9008       4.891391  226.8208       6.846638  231.0693       6.990549  -1.397720      3.237351  
1 1 1 3   23 9  f 62.06892 0.7913162 38.25048       0.9773856 35.71200       1.304784  41.49597       1.475341  -4.654526      1.582632  
1 1 1 3   23 10 o 73.18562 0.8792626 53.60397       1.286925  53.47194       1.810118  53.73892       1.830019  -0.1817398     1.758525  
1 1 1 3   23 11 o 103.5407 1.154261  107.3172       2.389373  109.2297       3.436212  105.5267       3.324713  1.783020       2.308522  
1 1 1 3   23 12 f 47.63078 0.6982037 22.38396       0.6598736 20.23878       0.8691320 25.30334       1.013913  -5.312115      1.396407  
1 1 1 3   23 13 o 115.7128 1.270158  134.1338       2.938863  132.6180       4.106439  135.7253       4.207775  -1.336952      2.540316  
1 1 1 3   23 14 o 68.18992 0.8400556 46.53065       1.145474  46.01111       1.602301  47.07372       1.638185  -0.7777863     1.680111  
1 1 1 3   23 15 o 32.79546 0.6551673 10.71470       0.4284063 11.97350       0.6272687 9.614215       0.5865001 3.595720       1.310335  
1 1 1 3   23 16 o 159.4575 1.705238  255.2645       5.437827  257.2530       7.749516  253.3358       7.632319  1.218521       3.410476  
1 1 1 3   23 17 f 22.54897 0.7303826 5.080467       0.3272198 5.917819       0.4745897 4.321703       0.4517706 3.538368       1.460765  
1 1 1 3   23 18 o 34.80779 0.6658688 12.00753       0.4612620 10.90080       0.6167701 13.41212       0.6948303 -3.604641      1.331738  
1 1 1 3   23 19 o 40.93403 0.6776223 16.76035       0.5546316 17.17494       0.7942158 16.36569       0.7748767 0.9877663      1.355245  
1 1 1 3   23 20 o 28.90927 0.8427721 8.324631       0.4859563 9.186675       0.7153133 7.585755       0.6622428 2.766306       1.685544  
1 1 1 3   23 21 o 54.75338 0.8881155 30.13781       0.9379453 30.47101       1.183095  29.57405       1.538888  0.8385391      1.776231  
1 1 1 3   23 22 o 22.58519 0.9112560 5.087986       0.4107417 5.535447       0.6026827 4.699894       0.5612778 1.847191       1.822512  
1 1 1 3   23 23 o 60.13475 1.065579  36.03507       1.276933  38.66595       1.907636  33.89926       1.718803  3.949226       2.131159  
1 1 1 3   23 24 o 54.51683 1.007712  29.71572       1.097167  28.58692       1.503192  31.00271       1.605072  -2.208225      2.015423  
1 1 1 3   23 25 o 67.40047 1.320695  45.06512       1.435278  46.52939       3.198728  44.69599       1.606029  1.199783       2.641389  
1 1 1 3   23 26 o 79.99420 1.416975  64.22205       2.265655  61.72585       3.142876  66.92276       3.269088  -3.233177      2.833951  
1 1 1 3   23 27 o 92.71445 1.404301  86.25317       2.540837  85.75108       3.250710  87.04160       4.073496  -0.5916748     2.808603  
1 1 1 3   23 28 o 51.01126 0.7504631 26.05043       0.7654148 26.56627       1.098948  25.56443       1.066693  0.9795532      1.500926  
1 1 1 3   23 29 o 80.98679 0.9677914 65.75603       1.567264  66.47504       2.242908  65.06998       2.190899  0.8621902      1.935583  
1 1 1 3   23 30 o 86.28282 1.016226  74.62038       1.752551  76.42050       2.533649  72.96893       2.426766  1.988289       2.032452  
1 1 1 3   23 31 o 53.92021 0.7825208 29.05145       0.8425509 30.60589       1.234494  27.69597       1.152791  2.690887       1.565042  
1 1 1 3   23 32 o 131.8347 1.449005  175.0319       3.819440  177.4501       5.482142  172.7510       5.324322  1.753677       2.898010  
1 1 1 3   23 33 o 40.85399 0.7373371 16.70387       0.6020864 16.08634       0.8342212 17.37529       0.8698537 -1.574005      1.474674  
1 1 1 3   23 34 o 73.99313 0.9892589 54.63977       1.443148  53.14848       1.876962  56.79616       2.257036  -2.413635      1.978518  
1 1 1 3   23 35 o 48.32941 0.7497532 23.39529       0.7239431 23.73380       1.051271  23.08997       0.9983943 0.6603775      1.499506  
1 1 1 3   23 36 o 50.26312 0.7624441 25.18752       0.7634422 26.82874       1.142809  23.86477       1.025959  2.935333       1.524888  
1 1 1 3   23 37 f 61.01392 0.8310784 37.34249       1.013768  37.40588       1.454269  37.28257       1.413949  0.9564972E-01  1.662157  
1 1 1 3   23 38 o 42.25475 0.7570727 17.91456       0.6394542 17.36215       0.9085463 18.45681       0.9001616 -1.296421      1.514145  
1 1 1 3   23 39 o 61.24411 0.8421118 37.36871       1.026275  40.29191       1.548974  35.08144       1.370164  4.227226       1.684224  
1 1 1 3   23 40 o 17.45169 1.110685  3.010294       0.3832093 2.458795       0.5080339 3.738276       0.5836877 -3.650280      2.221370  
1 1 1 3   23 41 o 31.28530 0.9441863 9.643847       0.5847701 11.68831       0.8990217 8.144511       0.7698926 5.639496       1.888373  
1 1 1 3   23 42 o 68.38556 1.495540  46.39774       1.880502  49.93021       3.469237  44.92800       2.237772  3.273582       2.991080  
1 1 1 3   23 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   23 44 o 56.47448 1.079741  32.12102       1.219292  32.78720       1.746549  31.48769       1.702955  1.139771       2.159482  
1 1 1 3   23 45 o 48.44044 1.020381  23.60115       0.9878002 24.64476       1.430449  22.64985       1.365718  2.042690       2.040761  
1 1 1 3   23 46 o 24.50557 1.064983  6.037596       0.5139822 4.708657       0.7031821 7.562108       0.7531488 -5.809240      2.129966  
1 1 1 3   24 0  o 59.09043 0.7641873 34.86188       0.9016285 33.67289       1.232905  36.22881       1.321936  -2.160080      1.528375  
1 1 1 3   24 1  f 190.1737 2.014517  363.0046       7.657152  370.7477       11.07133  355.9044       10.60163  3.865463       4.029034  
1 1 1 3   24 2  o 53.24197 0.7282798 28.36524       0.7754627 28.66284       1.095914  28.06682       1.097427  0.5597763      1.456560  
1 1 1 3   24 3  o 160.7825 1.716419  259.1010       5.514449  265.8972       8.005172  252.9637       7.607252  3.994141       3.432837  
1 1 1 3   24 4  o 80.99312 0.9448369 65.44463       1.526539  62.74589       2.070701  68.65740       2.259313  -3.641914      1.889674  
1 1 1 3   24 5  o 85.96445 0.9890222 73.96485       1.700112  75.13392       2.432596  72.84859       2.377011  1.326866       1.978044  
1 1 1 3   24 6  o 41.89047 0.6646264 17.50904       0.5560501 18.70588       0.8107339 16.44598       0.7640848 2.696037       1.329253  
1 1 1 3   24 7  o 112.8658 1.241588  127.4409       2.799193  123.9671       3.845470  131.3561       4.082464  -3.260239      2.483177  
1 1 1 3   24 8  o 61.34644 0.7882670 37.62654       0.9663550 36.79929       1.334611  38.53823       1.401075  -1.414944      1.576534  
1 1 1 3   24 9  o 145.3484 1.563852  211.9073       4.545584  210.4006       6.373667  213.4668       6.484622  -1.046860      3.127704  
1 1 1 3   24 10 o 38.31140 0.6563420 14.66304       0.5024481 14.16027       0.6926809 15.22132       0.7299184 -1.383633      1.312684  
1 1 1 3   24 11 o 49.64285 0.7094235 24.66014       0.7043153 25.03352       0.9990973 24.29129       0.9930350 0.7473602      1.418847  
1 1 1 3   24 12 f 60.30685 0.7808643 36.37883       0.9415498 37.42545       1.350748  35.38965       1.313153  1.686401       1.561729  
1 1 1 3   24 13 o 62.78915 0.8014196 39.44302       1.006024  38.82068       1.399637  40.10820       1.447013  -1.023308      1.602839  
1 1 1 3   24 14 o 178.2554 1.898087  319.3981       6.765546  323.1893       9.684376  315.7840       9.455581  2.054031       3.796174  
1 1 1 3   24 15 o 122.0356 1.335907  149.2512       3.259144  152.0757       4.693549  146.6212       4.529100  2.222847       2.671814  
1 1 1 3   24 16 o 40.20935 0.6838599 16.08063       0.5481984 17.85943       0.8108752 14.58323       0.7439768 4.071369       1.367720  
1 1 1 3   24 17 o 160.2368 1.988759  257.7925       6.360503  248.7404       8.669035  268.3475       9.360984  -6.037125      3.977517  
1 1 1 3   24 18 o 61.71839 0.8003170 38.13570       0.9878837 38.19050       1.396457  38.08080       1.397701  0.8893585E-01  1.600634  
1 1 1 3   24 19 o 97.11215 1.102207  94.47396       2.139747  92.74978       2.971504  96.33085       3.083733  -1.835228      2.204414  
1 1 1 3   24 20 o 115.5970 1.276967  133.9647       2.950599  131.4195       4.090813  136.7246       4.259873  -2.279480      2.553934  
1 1 1 3   24 21 o 72.77685 0.8900577 52.52780       1.286906  48.77323       1.704473  57.50583       1.962631  -5.983139      1.780115  
1 1 1 3   24 22 o 87.82837 1.264704  78.08614       2.102373  75.28522       3.578290  79.56271       2.598093  -2.530220      2.529407  
1 1 1 3   24 23 o 88.25174 1.487617  78.05979       2.620543  74.80766       3.572121  81.84969       3.856172  -3.954613      2.975234  
1 1 1 3   24 24 o 50.41059 0.9690413 26.42381       0.9187968 28.69520       1.151142  22.43690       1.525115  6.238037       1.938083  
1 1 1 3   24 25 o 26.52480 0.7384641 7.045553       0.3917348 6.952632       0.5519241 7.139882       0.5560929 -0.3526783     1.476928  
1 1 1 3   24 26 o 31.17206 0.8068357 9.923673       0.4933451 11.31737       0.6698769 8.271773       0.7292945 4.889980       1.613671  
1 1 1 3   24 27 o 13.36530 1.280060  1.762356       0.3390239 2.075387       0.5226978 1.535039       0.4454242 2.011026       2.560120  
1 1 1 3   24 28 o 70.35796 1.194843  49.70203       1.680830  50.59700       2.413349  48.85894       2.342346  1.225746       2.389685  
1 1 1 3   24 29 o 47.03157 0.9495245 22.18598       0.8931468 22.28105       1.265716  22.09169       1.260500  0.2007217      1.899049  
1 1 1 3   24 30 o 37.92265 0.9049695 14.32658       0.6839299 15.62916       1.020802  13.26561       0.9212820 3.104954       1.809939  
1 1 1 3   24 31 o 33.17772 0.8248089 11.00291       0.5374168 11.20781       0.8477200 10.86523       0.6949028 0.4995537      1.649618  
1 1 1 3   24 32 o 17.57743 0.9734979 3.100171       0.3397680 3.617393       0.4907742 2.624084       0.4708537 2.822895       1.946996  
1 1 1 3   24 33 o 65.86328 0.8616948 43.39706       1.133141  45.39844       1.662930  41.66227       1.548219  2.822144       1.723390  
1 1 1 3   24 34 o 10.76950 1.487939  1.237114       0.3104731 0.7497208      0.4433496 1.706154       0.4349224 -4.509726      2.975877  
1 1 1 3   24 35 o 88.42530 1.043596  78.31413       1.840444  81.85573       2.727447  75.35336       2.493783  3.638260       2.087191  
1 1 1 3   24 36 o 8.204586 2.103401  0.1401319      0.3658715 1.360210       0.9279968 -0.8442263E-01 0.3981195 6.611063       4.206803  
1 1 1 3   24 37 o 52.18952 0.7867549 26.98519       0.8144524 29.91848       1.253646  24.84298       1.071339  4.837250       1.573510  
1 1 1 3   24 38 o 37.00538 0.7863243 13.65603       0.5799502 15.32352       0.8554358 12.23770       0.7889407 4.159962       1.572649  
1 1 1 3   24 39 o 42.47375 0.9164187 18.15773       0.7757513 18.57782       1.061053  17.67533       1.137040  1.075974       1.832837  
1 1 1 3   24 40 f 63.25774 2.483202  0.000000       0.000000  ?              ?         40.72020       3.141634  ?              ?         
1 1 1 3   24 41 o 72.91876 1.778245  53.70311       2.593348  53.70311       2.593348  ?              ?         ?              ?         
1 1 1 3   24 42 f 49.19637 1.012917  24.33848       0.9961627 23.69945       1.382948  25.02760       1.436131  -1.337875      2.025835  
1 1 1 3   24 43 o 78.09946 1.326145  61.70380       2.071074  61.18295       2.897813  62.24766       2.961094  -0.6617508     2.652289  
1 1 1 3   24 44 o 47.88026 1.020164  23.04854       0.9759091 24.42580       1.415563  21.80098       1.347257  2.723518       2.040328  
1 1 1 3   24 45 o 16.50452 1.769324  0.000000       0.000000  ?              ?         2.753932       0.5840368 ?              ?         
1 1 1 3   25 0  f 40.41759 0.6732988 16.28485       0.5431474 17.75469       0.7944928 14.99513       0.7442222 3.412205       1.346598  
1 1 1 3   25 1  o 96.37134 1.087861  93.00146       2.096352  91.99896       2.929828  94.05317       3.000826  -1.062080      2.175721  
1 1 1 3   25 2  o 24.94157 0.7012148 6.241446       0.3484646 6.857603       0.4923362 5.622945       0.4932719 2.475134       1.402430  
1 1 1 3   25 3  o 53.29489 0.7300671 28.39863       0.7777706 27.64216       1.078813  29.21739       1.122346  -1.476288      1.460134  
1 1 1 3   25 4  o 158.6044 1.696460  252.1315       5.373741  260.3590       7.853863  244.8893       7.368567  4.836151       3.392920  
1 1 1 3   25 5  o 53.96628 0.7377580 28.90336       0.7926776 31.80926       1.191983  26.59936       1.061380  4.822159       1.475516  
1 1 1 3   25 6  o 60.21563 0.7767791 36.24934       0.9346750 35.34925       1.289778  37.24480       1.356396  -1.571327      1.553558  
1 1 1 3   25 7  o 97.30797 1.096127  94.65924       2.129767  91.60960       2.913466  98.15914       3.121137  -3.353508      2.192254  
1 1 1 3   25 8  o 71.36677 0.8657585 50.98861       1.235699  50.87632       1.740831  51.10265       1.754332  -0.1579437     1.731517  
1 1 1 3   25 9  o 43.02182 0.6824275 18.22694       0.5824309 21.14671       0.8936598 16.07096       0.7679275 5.894424       1.364855  
1 1 1 3   25 10 o 91.49940 1.045127  83.86101       1.912536  83.62975       2.695353  84.09549       2.714215  -0.2534256     2.090254  
1 1 1 3   25 11 o 71.72661 0.8736631 50.74784       1.240613  46.47540       1.620311  56.80132       1.928688  -7.183128      1.747326  
1 1 1 3   25 12 o 80.82529 0.9514534 65.29823       1.535779  63.24746       2.104264  67.63570       2.246549  -2.706886      1.902907  
1 1 1 3   25 13 o 110.6031 1.226309  122.3600       2.707928  127.2447       3.974254  118.1270       3.699652  4.101532       2.452619  
1 1 1 3   25 14 o 51.74773 0.7401184 26.78064       0.7656335 27.83280       1.101297  25.79641       1.065146  1.965897       1.480237  
1 1 1 3   25 15 o 45.63780 0.7535076 20.93628       0.6848291 22.71985       0.9567326 19.06222       0.9807011 4.008469       1.507015  
1 1 1 3   25 16 o 89.87344 1.036243  80.01949       1.846503  74.35922       2.426230  87.81076       2.846540  -7.452972      2.072486  
1 1 1 3   25 17 o 124.9073 1.368087  156.5590       3.417023  158.4720       4.890688  154.7345       4.776149  1.485153       2.736174  
1 1 1 3   25 18 o 24.72422 0.7427500 6.028637       0.3622614 7.632184       0.5468026 4.774231       0.4836250 5.776241       1.485500  
1 1 1 3   25 19 o 58.72947 0.9965581 34.80590       1.095261  33.88966       1.911786  35.25355       1.336294  -1.205902      1.993116  
1 1 1 3   25 20 o 62.31055 1.213176  38.87627       1.509740  37.43620       2.069026  40.51619       2.207927  -2.457417      2.426353  
1 1 1 3   25 21 o 48.25395 0.9484572 22.98253       0.8211938 22.54953       0.9629524 24.13705       1.572390  -1.595520      1.896914  
1 1 1 3   25 22 o 31.20365 0.7047552 9.652071       0.4364168 11.52780       0.6508660 8.119905       0.5882468 5.456615       1.409510  
1 1 1 3   25 23 o 18.52983 0.8654191 3.425222       0.3187204 4.002619       0.4669429 2.921554       0.4361123 2.914406       1.730838  
1 1 1 3   25 24 o 57.26889 0.7850994 32.85576       0.8991606 32.75480       1.262631  32.95964       1.280773  -0.1773529     1.570199  
1 1 1 3   25 25 o 25.99225 0.7547427 6.648819       0.3879895 8.226083       0.5906122 5.451389       0.5146065 5.331375       1.509485  
1 1 1 3   25 26 f 38.27930 0.7097595 14.67317       0.5433123 14.40170       0.7614224 14.95477       0.7754899 -0.7212753     1.419519  
1 1 1 3   25 27 o 58.75176 0.8022583 34.41855       0.9400465 32.26642       1.272724  37.00204       1.394453  -4.018387      1.604517  
1 1 1 3   25 28 o 65.61206 0.8529076 43.13396       1.118588  43.98487       1.614772  42.34894       1.551000  1.239693       1.705815  
1 1 1 3   25 29 f 34.05215 0.7340186 11.48112       0.4958074 9.642409       0.6651663 13.77997       0.7437519 -6.067598      1.468037  
1 1 1 3   25 30 f 60.39709 0.8218079 36.49205       0.9914157 34.99953       1.360451  38.18229       1.447766  -2.625027      1.643616  
1 1 1 3   25 31 o 56.99907 0.8058640 32.54126       0.9181065 31.63469       1.271428  33.52906       1.327162  -1.655285      1.611728  
1 1 1 3   25 32 o 29.64673 0.8398160 8.684266       0.4916385 8.049650       0.6375245 9.615444       0.7722494 -2.624115      1.679632  
1 1 1 3   25 33 o 35.58676 0.8730862 12.69099       0.6181931 12.55111       0.8308765 12.86445       0.9252290 -0.4272614     1.746172  
1 1 1 3   25 34 o 63.30748 1.134140  40.12675       1.431237  42.78934       2.132652  37.94489       1.930556  3.786491       2.268280  
1 1 1 3   25 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   25 36 o 51.37386 1.018839  26.45933       1.045240  27.87364       1.530618  25.22345       1.430809  2.561043       2.037678  
1 1 1 3   25 37 o 19.15828 1.081906  3.555581       0.4059440 4.754417       0.6443216 2.766489       0.5227411 5.162979       2.163812  
1 1 1 3   25 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   25 39 o 33.59426 0.9535177 11.26000       0.6381171 12.51481       0.9532747 10.24124       0.8589463 3.364080       1.907035  
1 1 1 3   25 40 o 20.45931 1.112906  4.245199       0.4513318 3.613974       0.6403901 4.868171       0.6361898 -3.066120      2.225812  
1 1 1 3   25 41 o 62.33905 1.137254  38.81861       1.409687  42.64862       2.139122  35.87843       1.874233  5.360535       2.274508  
1 1 1 3   25 42 o 43.53066 0.9855314 19.04912       0.8573074 19.88078       1.243176  18.29497       1.183831  1.806831       1.971063  
1 1 1 3   25 43 o 12.65689 1.608889  1.620529       0.3899414 2.359743       0.5977534 1.072914       0.5144874 5.207879       3.217778  
1 1 1 3   25 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   26 0  o 69.80739 0.8548624 48.78417       1.193485  49.16842       1.694824  48.40619       1.680946  0.5452957      1.709725  
1 1 1 3   26 1  o 61.37549 0.7907386 37.36540       0.9649855 34.70094       1.282907  40.83719       1.464428  -4.990959      1.581477  
1 1 1 3   26 2  o 16.37704 0.8915156 2.685578       0.2914949 2.478362       0.4083709 2.900830       0.4162131 -1.289426      1.783031  
1 1 1 3   26 3  o 85.28899 0.9879779 72.58458       1.680575  69.43961       2.276176  76.35367       2.491821  -4.041275      1.975956  
1 1 1 3   26 4  o 59.41865 0.7776613 35.33942       0.9241331 35.65603       1.310200  35.02596       1.303667  0.5299034      1.555323  
1 1 1 3   26 5  o 24.30779 0.7019805 5.893820       0.3406242 5.435297       0.4676838 6.411817       0.4970909 -2.007456      1.403961  
1 1 1 3   26 6  o 41.29813 0.6851869 16.83300       0.5616258 15.18253       0.7406704 19.06569       0.8614627 -4.696426      1.370374  
1 1 1 3   26 7  o 32.13487 0.6734530 10.24677       0.4308939 9.384925       0.5773801 11.33019       0.6473581 -3.023817      1.346906  
1 1 1 3   26 8  o 16.82889 0.9455425 2.873840       0.2999592 4.216812       0.4421514 1.728730       0.4082828 7.390349       1.891085  
1 1 1 3   26 9  o 57.68650 0.7699910 33.31384       0.8883206 33.76493       1.259694  32.86762       1.252884  0.7773933      1.539982  
1 1 1 3   26 10 o 93.20273 1.063305  87.03770       1.981614  86.04324       2.767564  88.08389       2.838639  -1.089485      2.126611  
1 1 1 3   26 11 o 26.95602 0.8756677 7.280073       0.4718771 7.391840       0.6607440 7.163733       0.6741274 0.4239311      1.751335  
1 1 1 3   26 12 o 88.64278 1.023897  78.26171       1.806938  74.05067       2.419651  83.57089       2.716892  -5.348671      2.047794  
1 1 1 3   26 13 o 55.26024 0.7585877 30.37045       0.8353446 33.01500       1.247921  28.22343       1.124420  4.328804       1.517175  
1 1 1 3   26 14 o 37.50148 0.6860842 14.06915       0.5141342 14.91634       0.7363251 13.26314       0.7182047 2.203247       1.372168  
1 1 1 3   26 15 o 86.53142 1.243290  76.29558       2.061986  70.90404       3.380950  79.48872       2.601905  -5.036240      2.486579  
1 1 1 3   26 16 f 81.97891 1.405263  67.37330       2.300919  70.21278       3.362676  64.87339       3.155206  3.232391       2.810525  
1 1 1 3   26 17 o 22.28472 1.408602  4.925343       0.6195768 3.914975       0.8303405 6.194544       0.9306402 -5.102631      2.817204  
1 1 1 3   26 18 o 50.46896 0.7363735 25.50825       0.7431869 25.63979       1.044375  25.37329       1.057804  0.2649040      1.472747  
1 1 1 3   26 19 o 31.55774 0.6952832 9.943661       0.4381907 9.419432       0.6005778 10.54039       0.6407626 -1.773350      1.390566  
1 1 1 3   26 20 o 63.02403 0.8214870 39.72341       1.034021  38.46671       1.417666  41.15196       1.511492  -2.122444      1.642974  
1 1 1 3   26 21 o 54.04366 0.7653838 29.22152       0.8267572 30.36455       1.194927  28.17184       1.145088  2.024647       1.530768  
1 1 1 3   26 22 o 64.69260 0.8369936 41.93641       1.082838  41.65614       1.518775  42.22617       1.544272  -0.4382706     1.673987  
1 1 1 3   26 23 o 24.93980 0.7637669 6.231734       0.3808620 6.422390       0.5404470 6.043633       0.5368117 0.7590294      1.527534  
1 1 1 3   26 24 f 20.58464 0.8472028 4.220963       0.3472177 4.829357       0.5120180 3.702975       0.4724457 2.731989       1.694406  
1 1 1 3   26 25 o 59.97351 0.8100574 36.03855       0.9713959 35.47112       1.355352  36.63789       1.392942  -0.9689140     1.620115  
1 1 1 3   26 26 o 56.11839 0.7846724 31.45045       0.8789067 29.77650       1.197345  33.40624       1.294225  -3.223946      1.569345  
1 1 1 3   26 27 o 55.00436 0.7823925 30.32459       0.8606684 30.47263       1.223477  30.17957       1.210957  0.2650681      1.564785  
1 1 1 3   26 28 o 37.04660 0.7282061 13.73812       0.5391871 13.07064       0.7497531 14.45311       0.7759742 -1.863194      1.456412  
1 1 1 3   26 29 f 32.51375 0.7369520 10.59967       0.4789915 10.26759       0.6794710 10.92774       0.6753406 -1.015629      1.473904  
1 1 1 3   26 30 o 51.65122 0.7757072 26.73788       0.8012013 26.26402       1.121343  27.23209       1.145172  -0.9343872     1.551414  
1 1 1 3   26 31 o 31.61420 0.7700671 10.02514       0.4865825 9.591986       0.6872364 10.46057       0.6890302 -1.373497      1.540134  
1 1 1 3   26 32 o 35.02023 0.7576699 12.29657       0.5306247 12.47185       0.7567442 12.12703       0.7442451 0.4906693      1.515340  
1 1 1 3   26 33 o 23.88542 0.8568348 5.731395       0.4089041 5.562263       0.5857897 5.892122       0.5710475 -0.6927261     1.713670  
1 1 1 3   26 34 o 22.73260 0.8865129 5.169215       0.4021970 5.653253       0.5879089 4.743387       0.5514272 1.995422       1.773026  
1 1 1 3   26 35 o 45.49270 1.095989  20.30435       0.8959888 22.03529       1.723354  19.66315       1.048896  2.467678       2.191978  
1 1 1 3   26 36 o 9.452697 3.113732  0.8833399      0.6821488 0.8833399      0.6821488 ?              ?         ?              ?         
1 1 1 3   26 37 o 14.39052 1.362150  2.095776       0.3915080 2.065652       0.5662489 2.123365       0.5419049 -0.2077036     2.724300  
1 1 1 3   26 38 o 26.59491 0.9781812 7.113237       0.5186614 7.139355       0.7649575 7.091013       0.7056258 0.7807922E-01  1.956362  
1 1 1 3   26 39 o 43.54786 0.9874882 19.07712       0.8597127 19.29335       1.236243  18.87461       1.196372  0.4718094      1.974976  
1 1 1 3   26 40 f 56.57010 1.082859  31.99628       1.219155  34.97213       1.838790  29.66195       1.628576  4.637608       2.165717  
1 1 1 3   26 41 f 42.44720 0.9705665 18.09111       0.8228507 17.25813       1.128680  19.03608       1.202166  -2.076698      1.941133  
1 1 1 3   26 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   27 0  o 37.53177 0.6824160 13.87227       0.5081034 12.09750       0.6712013 16.25444       0.7776204 -5.532795      1.364832  
1 1 1 3   27 1  o 114.5036 1.266436  131.5061       2.899802  130.3033       4.059462  132.7594       4.143714  -1.065018      2.532873  
1 1 1 3   27 2  o 97.11650 1.100674  94.02269       2.128824  89.23550       2.856373  100.0043       3.192877  -5.518250      2.201348  
1 1 1 3   27 3  o 148.2095 1.598364  220.7702       4.737819  221.3656       6.715482  220.1802       6.685197  0.3965149      3.196727  
1 1 1 3   27 4  o 43.58538 0.6962839 19.01738       0.6068388 19.14735       0.8516073 18.88330       0.8649474 0.3035698      1.392568  
1 1 1 3   27 5  o 33.34319 0.6805911 11.13106       0.4532208 11.90632       0.6451781 10.37579       0.6368060 2.294720       1.361182  
1 1 1 3   27 6  o 159.1706 1.709963  254.6107       5.439240  249.2809       7.516185  260.4709       7.881289  -3.470642      3.419925  
1 1 1 3   27 7  o 58.28854 1.067274  33.72140       1.237052  37.21752       1.876474  31.03406       1.645168  5.286144       2.134547  
1 1 1 3   27 8  o 133.6249 1.454466  179.3213       3.886266  177.3369       5.430706  181.4042       5.563729  -1.507263      2.908933  
1 1 1 3   27 9  o 33.64636 0.6871161 11.27253       0.4610946 10.27947       0.6276030 12.43723       0.6796783 -3.203716      1.374232  
1 1 1 3   27 10 o 95.14346 1.084469  90.76681       2.063588  90.58769       2.911925  90.94753       2.924824  -0.1879730     2.168937  
1 1 1 3   27 11 o 99.72599 1.390629  101.0170       2.646005  96.09801       4.411319  103.7814       3.306953  -3.978043      2.781258  
1 1 1 3   27 12 o 52.57771 1.122252  27.54889       1.175831  25.65217       1.582747  29.88506       1.756555  -4.008724      2.244504  
1 1 1 3   27 13 o 13.69370 1.847571  1.947681       0.4868102 1.837085       0.6686741 2.072405       0.7100991 -0.8404818     3.695142  
1 1 1 3   27 14 o 27.33195 0.7311420 7.422091       0.3980688 6.790711       0.5351393 8.204230       0.5956126 -2.581755      1.462284  
1 1 1 3   27 15 o 43.17833 0.7053861 18.53715       0.6065982 17.27111       0.8135902 20.12186       0.9102423 -3.294487      1.410772  
1 1 1 3   27 16 o 54.08110 0.7622038 28.97259       0.8188319 26.62770       1.083618  32.09365       1.250163  -5.040485      1.524408  
1 1 1 3   27 17 o 88.49704 1.030370  78.46693       1.821873  76.53566       2.510032  80.61729       2.648582  -2.291145      2.060740  
1 1 1 3   27 18 o 83.85665 0.9881562 70.52126       1.657168  70.15380       2.328450  70.89844       2.359028  -0.4407806     1.976312  
1 1 1 3   27 19 f 45.27140 0.7252017 20.50208       0.6560653 19.90909       0.9054039 21.15766       0.9519802 -1.375256      1.450403  
1 1 1 3   27 20 o 78.96379 0.9532093 62.02197       1.497041  67.35482       2.267273  57.89986       1.993352  5.956764       1.906419  
1 1 1 3   27 21 o 41.31470 0.7188315 17.01832       0.5924734 15.94287       0.8040726 18.29581       0.8763540 -2.841324      1.437663  
1 1 1 3   27 22 o 40.01434 0.7124022 15.89385       0.5674331 18.06390       0.8483673 14.13717       0.7632998 4.899014       1.424804  
1 1 1 3   27 23 o 40.37445 0.7105159 16.31288       0.5733963 17.03537       0.8266194 15.64284       0.7960537 1.721649       1.421032  
1 1 1 3   27 24 o 54.82654 0.7791343 30.12779       0.8543213 30.39163       1.213333  29.86837       1.203118  0.4761238      1.558269  
1 1 1 3   27 25 o 59.00700 0.8065557 34.74475       0.9491534 32.83370       1.284510  37.04311       1.408677  -3.553055      1.613111  
1 1 1 3   27 26 o 47.81945 0.7510610 22.90615       0.7180945 23.58031       1.029927  22.26840       1.001738  1.368679       1.502122  
1 1 1 3   27 27 o 47.28093 0.7567196 22.19488       0.7119138 20.29107       0.9502995 24.62995       1.074743  -4.574593      1.513439  
1 1 1 3   27 28 o 8.169389 1.622768  0.6923577      0.2868004 0.4376866      0.4154664 0.9241893      0.3963990 -2.425559      3.245536  
1 1 1 3   27 29 o 39.09068 0.7473807 15.30461       0.5838565 15.72702       0.8462449 14.92086       0.8065781 1.026173       1.494761  
1 1 1 3   27 30 o 62.11012 0.8465579 38.66442       1.050831  40.02470       1.522010  37.42536       1.452617  2.082199       1.693116  
1 1 1 3   27 31 o 23.54364 0.8665314 5.577760       0.4058299 4.880758       0.5705992 6.291278       0.5773202 -2.994520      1.733063  
1 1 1 3   27 32 o 53.56791 1.293036  28.82933       1.382595  30.99700       2.031114  26.95764       1.887360  3.736492       2.586072  
1 1 1 3   27 33 o 65.96700 1.362314  43.93553       1.796832  42.91888       2.504775  45.01337       2.579061  -1.567886      2.724629  
1 1 1 3   27 34 o 52.13795 0.8513986 27.36334       0.8852938 28.49950       1.223865  26.11637       1.282158  2.295311       1.702797  
1 1 1 3   27 35 o 34.23571 0.8868071 11.75214       0.6043850 11.52431       0.8128548 12.03381       0.9038230 -0.7265511     1.773614  
1 1 1 3   27 36 o 45.63082 0.9806067 20.81178       0.8919255 19.23840       1.203633  22.72799       1.328309  -3.796711      1.961213  
1 1 1 3   27 37 o 51.05950 1.030053  26.24215       1.051703  26.58231       1.504215  25.91685       1.471006  0.6438713      2.060106  
1 1 1 3   27 38 o 64.02858 1.152515  41.18593       1.471291  39.15028       1.987679  43.65298       2.188181  -3.460030      2.305029  
1 1 1 3   27 39 o 73.31960 1.266452  54.32820       1.856419  55.74914       2.670334  52.99907       2.582609  1.847710       2.532905  
1 1 1 3   27 40 f 79.78646 1.909854  0.000000       0.000000  ?              ?         64.47601       3.047610  ?              ?         
1 1 1 3   28 0  o 31.75699 0.9291279 10.06993       0.5887784 9.599288       0.8002883 10.62525       0.8693037 -1.609953      1.858256  
1 1 1 3   28 1  o 74.57383 1.259786  55.65701       1.874730  53.48785       2.550090  58.20818       2.765531  -3.141998      2.519572  
1 1 1 3   28 2  o 139.4124 2.143218  196.4828       5.975469  195.2648       8.395898  197.7330       8.506363  -0.8651733     4.286436  
1 1 1 3   28 3  o 35.87667 0.7406232 12.95553       0.5283766 12.06931       0.7725999 13.73423       0.7242191 -2.323391      1.481246  
1 1 1 3   28 4  o 40.88382 0.6983314 16.69590       0.5703151 15.92169       0.7835724 17.56808       0.8316696 -2.010605      1.396663  
1 1 1 3   28 5  o 93.51582 1.071291  87.55769       2.001217  90.47992       2.918582  84.96461       2.749295  2.932991       2.142582  
1 1 1 3   28 6  o 72.98265 0.8936194 53.14075       1.300537  56.30913       1.931645  50.51360       1.758937  3.956718       1.787239  
1 1 1 3   28 7  o 118.6787 1.702553  142.6501       3.998894  136.1991       6.031029  147.7113       5.342029  -4.956718      3.405106  
1 1 1 3   28 8  o 22.87694 1.287302  5.278907       0.5851723 5.968569       0.8276262 4.589470       0.8274909 3.014153       2.574604  
1 1 1 3   28 9  o 72.60390 1.171469  52.71443       1.654081  52.07709       2.100463  53.75488       2.683737  -1.089333      2.342938  
1 1 1 3   28 10 o 83.30354 0.9828148 69.53900       1.636771  71.19314       2.356315  67.99667       2.275298  1.910545       1.965630  
1 1 1 3   28 11 o 67.44105 0.8498058 45.55749       1.145768  44.87271       1.593400  46.29064       1.648739  -1.046371      1.699612  
1 1 1 3   28 12 o 36.96405 0.6928121 13.68261       0.5120739 13.67312       0.7167110 13.69250       0.7318913 -0.2511978E-01 1.385624  
1 1 1 3   28 13 f 29.20840 0.7044358 8.543496       0.4112058 8.990073       0.5856181 8.109165       0.5775318 1.507372       1.408872  
1 1 1 3   28 14 o 30.73667 0.6982088 9.400839       0.4278307 8.629184       0.5785347 10.33213       0.6355668 -2.765919      1.396418  
1 1 1 3   28 15 o 61.97579 0.8144940 38.29949       1.006821  41.15358       1.492613  35.91675       1.363808  4.213161       1.628988  
1 1 1 3   28 16 o 59.61072 0.8070768 35.55205       0.9611197 34.44859       1.321508  36.79116       1.400375  -1.957523      1.614154  
1 1 1 3   28 17 o 91.64617 1.063403  84.30026       1.948956  85.18721       2.779459  83.44234       2.733594  0.9461060      2.126806  
1 1 1 3   28 18 o 38.89231 0.7140173 15.15138       0.5552852 15.57995       0.7898626 14.73259       0.7807995 1.088558       1.428035  
1 1 1 3   28 19 o 45.58091 0.7319905 20.59704       0.6637135 23.19999       1.002151  18.56324       0.8858392 5.075245       1.463981  
1 1 1 3   28 20 o 20.77625 0.8248366 4.325999       0.3425725 4.139132       0.4797750 4.520366       0.4893070 -0.9164238     1.649673  
1 1 1 3   28 21 f 30.66803 0.7273338 9.395958       0.4450546 10.36163       0.6475747 8.531555       0.6126785 2.980242       1.454668  
1 1 1 3   28 22 o 61.56477 0.8229488 37.92001       1.012026  39.67432       1.477082  36.36783       1.389384  2.675346       1.645898  
1 1 1 3   28 23 o 50.32089 0.7571293 25.36573       0.7617533 26.13949       1.092767  24.63433       1.062436  1.492245       1.514259  
1 1 1 3   28 24 o 82.97259 0.9928076 69.12067       1.647429  69.59525       2.344465  68.65776       2.315441  0.5607147      1.985615  
1 1 1 3   28 25 o 21.22543 0.8589486 4.535275       0.3617174 3.842937       0.5074329 5.250521       0.5157601 -3.314716      1.717897  
1 1 1 3   28 26 o 32.22278 0.7369205 10.40666       0.4748517 10.61392       0.6776069 10.20665       0.6656366 0.6305046      1.473841  
1 1 1 3   28 27 o 51.62716 0.7842279 26.73086       0.8096936 27.08359       1.153024  26.38768       1.137298  0.6718292      1.568456  
1 1 1 3   28 28 o 39.29304 0.7494852 15.45203       0.5884043 16.32598       0.8538626 14.66172       0.8119754 2.112217       1.498970  
1 1 1 3   28 29 o 38.64383 0.8498597 15.18597       0.6465651 13.60356       0.9728382 16.43799       0.8653359 -3.683491      1.699719  
1 1 1 3   28 30 o 9.669421 2.478515  0.5584295      0.6908134 -0.3237946     0.9621656 1.497071       0.9924534 -4.684478      4.957029  
1 1 1 3   28 31 o 42.36634 0.7699427 17.95405       0.6513662 19.31341       0.9502795 16.74936       0.8945831 3.017555       1.539885  
1 1 1 3   28 32 o 34.91317 0.7803174 12.23046       0.5446748 12.28020       0.7814482 12.18347       0.7595896 0.1350822      1.560635  
1 1 1 3   28 33 o 39.75101 0.8685512 15.94982       0.6798346 16.32007       0.8926067 15.43836       1.049105  1.139076       1.737102  
1 1 1 3   28 34 o 78.58446 1.218709  62.45498       1.889435  63.13450       2.484352  61.52269       2.909969  1.139313       2.437419  
1 1 1 3   28 35 o 17.66162 1.266934  3.259111       0.4311168 2.375409       0.6306363 4.034441       0.5907034 -4.707880      2.533868  
1 1 1 3   28 36 o 36.29749 0.9532967 13.24822       0.6917531 13.58604       0.9961700 12.93361       0.9613331 0.8906021      1.906593  
1 1 1 3   28 37 o 17.68166 1.223825  3.197944       0.4272195 2.818413       0.6310634 3.519051       0.5804625 -1.996513      2.447649  
1 1 1 3   28 38 o 24.36631 1.423937  0.000000       0.000000  ?              ?         5.979443       0.6939219 ?              ?         
1 1 1 3   29 0  o 57.89194 0.7843574 33.31638       0.9038448 31.02518       1.208328  36.22681       1.361859  -4.479977      1.568715  
1 1 1 3   29 1  o 83.21167 1.066710  69.31918       1.751798  70.42102       2.716241  68.53450       2.292215  1.086494       2.133419  
1 1 1 3   29 2  o 14.47303 1.816685  2.074156       0.4992014 0.8577434      0.6468469 3.865625       0.7849930 -10.26033      3.633369  
1 1 1 3   29 3  o 40.83112 1.043248  16.72217       0.8517487 16.57357       1.189943  16.87830       1.219718  -0.3699074     2.086496  
1 1 1 3   29 4  o 81.01366 1.951493  66.00365       3.161952  66.00365       3.161952  ?              ?         ?              ?         
1 1 1 3   29 5  o 9.098831 2.541408  0.8599429      0.4800579 0.8599429      0.4800579 ?              ?         ?              ?         
1 1 1 3   29 6  o 54.74558 1.041158  30.00843       1.138453  28.95718       1.561537  31.20117       1.663309  -2.038181      2.082316  
1 1 1 3   29 7  o 37.83532 0.9177025 14.27878       0.6923911 13.41884       0.9363223 15.31646       1.028539  -2.498600      1.835405  
1 1 1 3   29 8  o 109.2748 1.483902  121.0677       3.108376  117.2137       5.152309  123.2731       3.897571  -2.974594      2.967803  
1 1 1 3   29 9  o 75.71553 0.9927057 57.67858       1.496642  55.41317       2.196723  59.64109       2.044597  -2.808907      1.985411  
1 1 1 3   29 10 f 48.67664 0.7345903 23.70082       0.7146103 24.89264       1.032846  22.60637       0.9897535 2.344795       1.469181  
1 1 1 3   29 11 f 23.39257 0.7875279 5.475523       0.3639302 6.703010       0.5307018 4.385874       0.5000176 4.949903       1.575056  
1 1 1 3   29 12 f 70.16479 0.8777283 49.22017       1.229554  51.70107       1.805454  47.07433       1.679116  3.283661       1.755457  
1 1 1 3   29 13 o 24.86295 0.7673985 6.160342       0.3790433 7.245694       0.5571895 5.225394       0.5171440 4.059072       1.534797  
1 1 1 3   29 14 o 85.15353 1.005904  72.67517       1.711382  74.94609       2.489322  70.63987       2.356643  2.511406       2.011807  
1 1 1 3   29 15 o 49.52287 0.7467231 24.55970       0.7393469 25.36644       1.061047  23.79830       1.030798  1.580265       1.493446  
1 1 1 3   29 16 o 15.04005 1.034889  2.307675       0.3001277 3.082797       0.4317223 1.582701       0.4175232 4.985095       2.069778  
1 1 1 3   29 17 o 27.32787 0.7449136 7.472262       0.4067994 7.186569       0.5616131 7.787613       0.5900416 -1.096809      1.489827  
1 1 1 3   29 18 o 37.12640 0.7141072 13.78947       0.5297393 13.32865       0.7299156 14.30232       0.7700214 -1.307320      1.428214  
1 1 1 3   29 19 o 17.05795 0.9401425 2.925542       0.3194678 3.246243       0.4540803 2.611215       0.4495451 1.860773       1.880285  
1 1 1 3   29 20 o 78.70621 0.9577783 62.07361       1.505811  60.11649       2.068174  64.28156       2.196710  -2.627975      1.915557  
1 1 1 3   29 21 o 49.94023 0.7645342 25.00119       0.7635203 25.00325       1.071187  24.99907       1.088585  0.6153107E-02  1.529068  
1 1 1 3   29 22 o 69.47012 0.8862225 48.41232       1.231023  47.77240       1.718307  49.08707       1.764470  -0.9398651     1.772445  
1 1 1 3   29 23 o 37.01026 0.7323511 13.72918       0.5418018 14.35908       0.7724806 13.11928       0.7601156 1.673435       1.464702  
1 1 1 3   29 24 o 35.21619 0.7430238 12.42595       0.5231249 12.02590       0.7283353 12.85225       0.7518454 -1.170208      1.486048  
1 1 1 3   29 25 o 51.09953 0.7791269 26.18982       0.7962378 26.46911       1.129232  25.91365       1.122896  0.5426445      1.558254  
1 1 1 3   29 26 o 25.57380 1.219968  6.802859       0.5237232 6.192430       1.067982  6.996132       0.6009409 -1.667017      2.439937  
1 1 1 3   29 27 o 29.00859 1.431095  8.505713       0.8301646 8.572618       1.167276  8.437237       1.180903  0.2369423      2.862189  
1 1 1 3   29 28 o 41.72697 0.7734762 17.40802       0.6443689 16.33130       0.8813208 18.64466       0.9445077 -2.762493      1.546952  
1 1 1 3   29 29 f 41.32691 0.7667381 17.11817       0.6334109 16.50159       0.8796577 17.78210       0.9128190 -1.544163      1.533476  
1 1 1 3   29 30 o 32.08731 0.7767055 10.31204       0.4969525 9.240846       0.6871739 11.48652       0.7195365 -3.493977      1.553411  
1 1 1 3   29 31 o 33.36919 0.8165261 11.19635       0.5435780 11.41040       0.7471021 10.95558       0.7923637 0.6897240      1.633052  
1 1 1 3   29 32 o 16.81202 1.262365  2.879235       0.3969261 4.346510       0.5907409 1.671605       0.5359299 7.940917       2.524730  
1 1 1 3   29 33 f 13.29797 1.494034  1.781460       0.3818715 2.314460       0.5842813 1.384009       0.5045458 3.645739       2.988068  
1 1 1 3   29 34 o 19.12763 1.170984  3.623747       0.4338438 5.096934       0.6619263 2.514283       0.5744302 6.726183       2.341968  
1 1 1 3   29 35 o 21.90777 1.042578  4.811096       0.4555587 5.185742       0.6752945 4.498196       0.6171405 1.554251       2.085155  
1 1 1 3   29 36 o 25.86672 1.456861  0.000000       0.000000  ?              ?         6.741225       0.7536842 ?              ?         
1 1 1 3   30 0  o 60.85393 0.8063083 37.10096       0.9811667 37.85616       1.403429  36.37893       1.372255  1.210728       1.612617  
1 1 1 3   30 1  o 23.90764 0.7838548 5.677949       0.3731404 5.079804       0.5022944 6.414526       0.5573971 -2.786207      1.567710  
1 1 1 3   30 2  o 138.7592 1.513128  194.0488       4.199103  193.3741       5.913531  194.7351       5.963643  -0.4812164     3.026257  
1 1 1 3   30 3  o 107.4242 1.208917  115.5102       2.589108  110.4010       3.497642  121.7036       3.850901  -5.208488      2.417835  
1 1 1 3   30 4  o 103.1047 1.165842  106.8027       2.403953  107.5481       3.420821  106.0753       3.378971  0.7082062      2.331684  
1 1 1 3   30 5  o 45.13618 0.7200035 20.31045       0.6483678 22.02300       0.9571916 18.85851       0.8813568 3.498676       1.440007  
1 1 1 3   30 6  o 43.22932 0.7144752 18.63101       0.6161619 17.40369       0.8362960 20.08834       0.9112960 -3.098328      1.428950  
1 1 1 3   30 7  f 88.69064 1.034486  78.88462       1.833669  81.05941       2.655128  76.90154       2.535410  2.328094       2.068971  
1 1 1 3   30 8  o 100.8797 1.146248  102.1153       2.310058  99.34662       3.177309  105.2199       3.364559  -2.882950      2.292495  
1 1 1 3   30 9  o 41.80431 0.7128016 17.51016       0.5958933 17.84690       0.8437515 17.17507       0.8416929 0.8033371      1.425603  
1 1 1 3   30 10 o 26.59755 0.7572427 6.957295       0.3990334 6.025164       0.5242676 8.240892       0.6152180 -4.156013      1.514485  
1 1 1 3   30 11 o 35.21379 0.8234541 12.42519       0.5582344 12.40589       0.7000725 12.45890       0.9250599 -0.5036163E-01 1.646908  
1 1 1 3   30 12 o 17.34638 1.124544  3.024046       0.3886632 2.686512       0.5422820 3.380577       0.5573324 -1.998302      2.249088  
1 1 1 3   30 13 o 41.31978 0.9288344 17.12005       0.7672582 16.77383       1.066264  17.49181       1.104902  -0.8638420     1.857669  
1 1 1 3   30 14 o 36.69667 0.9027618 13.43179       0.6605317 12.48352       0.8928328 14.57834       0.9817514 -2.842812      1.805524  
1 1 1 3   30 15 o 40.64408 0.8281567 16.68746       0.6601897 15.91138       1.027318  17.23344       0.8616719 -1.646183      1.656313  
1 1 1 3   30 16 o 65.01787 0.9122955 42.49763       1.178079  41.72185       1.764666  43.12138       1.582321  -1.100548      1.824591  
1 1 1 3   30 17 o 23.72863 0.7863401 5.650805       0.3727465 5.925456       0.5249442 5.371502       0.5293700 1.167782       1.572680  
1 1 1 3   30 18 o 68.36321 0.8785765 46.87144       1.200750  46.16426       1.669700  47.62891       1.728036  -1.063263      1.757153  
1 1 1 3   30 19 o 17.31108 0.9515622 3.015053       0.3280249 3.363507       0.4666815 2.674792       0.4611622 1.988373       1.903124  
1 1 1 3   30 20 o 78.00647 0.9570842 61.09284       1.492513  60.17773       2.074327  62.07516       2.149126  -1.203819      1.914168  
1 1 1 3   30 21 o 48.98589 0.7696207 23.94026       0.7517380 22.46843       1.016029  25.72052       1.117427  -3.305668      1.539241  
1 1 1 3   30 22 o 67.60789 0.8789005 45.85055       1.187955  47.18070       1.708796  44.60636       1.652656  1.895172       1.757801  
1 1 1 3   30 23 o 50.75288 1.230375  25.89478       1.247076  24.86868       1.708046  27.06623       1.825022  -2.139214      2.460751  
1 1 1 3   30 24 o 62.32048 1.302816  39.02969       1.620368  41.65414       2.388414  36.79167       2.205584  3.856892       2.605632  
1 1 1 3   30 25 o 59.74931 1.088771  36.36054       1.202545  37.08598       1.454938  34.79648       2.136348  2.057442       2.177541  
1 1 1 3   30 26 o 46.06529 0.7753159 21.11004       0.7112404 19.10226       0.9558376 23.60086       1.064625  -4.866013      1.550632  
1 1 1 3   30 27 f 15.06865 1.124280  2.245012       0.3351506 2.763803       0.5120999 1.856315       0.4432659 2.995012       2.248561  
1 1 1 3   30 28 o 31.86284 0.7804831 10.17255       0.4961758 9.222818       0.6869619 11.20838       0.7174261 -3.110487      1.560966  
1 1 1 3   30 29 o 12.19336 1.404286  1.497097       0.3259220 2.082672       0.4982542 1.059148       0.4308949 4.341834       2.808572  
1 1 1 3   30 30 o 68.42936 1.107924  47.33683       1.500858  48.24129       1.996724  46.16209       2.275577  1.589432       2.215848  
1 1 1 3   30 31 o 25.29487 0.9835489 6.402413       0.4961036 7.035812       0.7346036 5.871310       0.6726728 2.287209       1.967098  
1 1 1 3   30 32 o 46.74884 0.9988611 21.88344       0.9306111 23.51089       1.389397  20.55926       1.253271  3.122581       1.997722  
1 1 1 3   30 33 o 43.72919 0.9823465 19.12639       0.8561637 20.79477       1.277125  17.76459       1.153837  3.435154       1.964693  
1 1 1 3   30 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   31 0  o 36.19818 0.7104237 12.99955       0.5117821 11.63122       0.6860332 14.71666       0.7685064 -4.253872      1.420847  
1 1 1 3   31 1  o 40.47771 0.7134150 16.41990       0.5773568 16.55715       0.8081742 16.27685       0.8251004 0.3478889      1.426830  
1 1 1 3   31 2  o 49.05898 0.7463493 24.07101       0.7313810 23.18254       1.003978  25.07568       1.067610  -1.922947      1.492699  
1 1 1 3   31 3  o 52.94004 0.7655525 28.08089       0.8104078 28.84784       1.157330  27.34303       1.135170  1.418907       1.531105  
1 1 1 3   31 4  o 42.97040 0.7245994 18.50292       0.6227096 18.56766       0.8783818 18.43750       0.8829245 0.1519127      1.449199  
1 1 1 3   31 5  o 54.65366 0.7781464 29.91594       0.8499047 29.32880       1.174623  30.56107       1.231270  -1.121181      1.556293  
1 1 1 3   31 6  o 81.55933 0.9743435 66.55898       1.585886  69.91888       2.338570  63.69823       2.157876  3.788643       1.948687  
1 1 1 3   31 7  o 69.48110 0.8768210 48.18171       1.214298  45.60791       1.636957  51.33091       1.810712  -4.096497      1.753642  
1 1 1 3   31 8  o 34.53851 0.7098397 11.94908       0.4893654 12.99873       0.7012178 10.95249       0.6832658 2.960407       1.419679  
1 1 1 3   31 9  o 54.03030 0.7682723 29.21443       0.8294723 30.52441       1.203746  28.03003       1.144590  2.301678       1.536545  
1 1 1 3   31 10 o 34.75806 0.7170140 12.11034       0.4979658 12.78773       0.7073429 11.44474       0.7011579 1.931263       1.434028  
1 1 1 3   31 11 o 62.00539 0.8251089 38.17709       1.017462  42.20546       1.542166  35.07198       1.353954  5.729351       1.650218  
1 1 1 3   31 12 o 45.59624 0.7346663 20.83312       0.6695992 20.69015       0.9303660 20.98677       0.9644668 -0.3214836     1.469333  
1 1 1 3   31 13 o 30.56594 0.7366263 9.348370       0.4498484 8.998352       0.6192077 9.739580       0.6546326 -1.208410      1.473253  
1 1 1 3   31 14 o 33.86212 0.7358624 11.42522       0.4968332 10.50755       0.6725871 12.52735       0.7370915 -2.974594      1.471725  
1 1 1 3   31 15 o 66.12265 0.8633286 43.87529       1.141531  43.64700       1.598456  44.11289       1.630766  -0.3475266     1.726657  
1 1 1 3   31 16 o 21.49865 0.8773780 4.676391       0.3666231 6.148609       0.5316472 3.341465       0.5062512 6.524858       1.754756  
1 1 1 3   31 17 f 53.34853 0.7844005 28.55038       0.8368569 28.91130       1.181383  28.18687       1.185617  0.6795502      1.568801  
1 1 1 3   31 18 o 43.28374 0.8650695 17.95571       0.7022088 16.52213       0.8417104 21.23780       1.273582  -5.381519      1.730139  
1 1 1 3   31 19 o 22.12291 1.563909  4.547815       0.5607633 5.675208       1.293675  4.286978       0.6222612 2.954012       3.127818  
1 1 1 3   31 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   31 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   31 22 o 16.91565 1.177612  2.883323       0.3979380 2.700185       0.5577982 3.073138       0.5678758 -1.100035      2.355225  
1 1 1 3   31 23 f 29.05552 0.9343678 8.384651       0.5393166 9.855340       0.8103789 7.215413       0.7225692 4.526426       1.868736  
1 1 1 3   31 24 o 32.99255 0.8604922 10.91644       0.5548154 11.01677       0.8859845 10.85172       0.7116196 0.2180786      1.720984  
1 1 1 3   31 25 o 33.21305 0.8202953 11.14249       0.5416874 10.10724       0.7830296 12.09263       0.7501510 -2.994867      1.640591  
1 1 1 3   31 26 o 21.11344 0.9168991 4.504444       0.3851406 4.117376       0.5565811 4.860065       0.5334941 -1.763456      1.833798  
1 1 1 3   31 27 o 30.90778 0.7826460 9.571391       0.4830349 8.849159       0.6682363 10.36173       0.6990328 -2.441422      1.565292  
1 1 1 3   31 28 o 35.93356 0.9376325 12.97125       0.6732777 13.40309       0.9770880 12.58082       0.9290447 1.133423       1.875265  
1 1 1 3   31 29 o 37.01490 0.9360194 13.75050       0.6919932 14.52984       1.010777  13.06299       0.9493603 1.966934       1.872039  
1 1 1 3   31 30 o 26.59964 0.9966325 7.124448       0.5291969 7.118711       0.7722937 7.129525       0.7265905 -0.3148460E-01 1.993265  
1 1 1 3   31 31 o 39.12235 1.367562  0.000000       0.000000  ?              ?         15.40687       1.070044  ?              ?         
1 1 1 3   32 0  o 44.45039 0.7383384 19.74183       0.6550630 18.85404       0.8923900 20.77914       0.9646178 -2.157307      1.476677  
1 1 1 3   32 1  o 97.98895 1.126102  96.50735       2.206097  95.19181       3.070736  97.91066       3.171488  -1.369934      2.252204  
1 1 1 3   32 2  o 69.36386 1.101283  48.45412       1.428430  48.61214       1.737552  48.12467       2.508865  0.4803543      2.202566  
1 1 1 3   32 3  o 79.67567 1.389109  63.96523       2.211730  62.67910       3.054892  65.38200       3.206317  -1.663330      2.778217  
1 1 1 3   32 4  f 21.96436 1.353256  4.805964       0.5908003 4.206517       0.7894881 5.568907       0.8906680 -3.079691      2.706512  
1 1 1 3   32 5  o 106.2429 1.571753  114.5190       3.290360  111.8854       5.077199  116.4259       4.320415  -2.327644      3.143506  
1 1 1 3   32 6  o 52.92432 0.8422890 28.25078       0.8867158 25.51748       1.275077  30.81059       1.233945  -5.006310      1.684578  
1 1 1 3   32 7  o 56.09231 0.7926266 31.55159       0.8890983 32.23678       1.266223  30.88523       1.248710  1.202427       1.585253  
1 1 1 3   32 8  o 9.185644 1.625376  0.8905956      0.3008996 1.063744       0.4226848 0.7126943      0.4284463 1.758736       3.250753  
1 1 1 3   32 9  o 56.98421 0.7984657 32.56575       0.9098786 33.25237       1.298090  31.90259       1.275726  1.181232       1.596931  
1 1 1 3   32 10 o 38.53825 0.7413754 14.74418       0.5684256 13.42049       0.7583694 16.44127       0.8586969 -3.906132      1.482751  
1 1 1 3   32 11 f 31.94238 0.8386309 10.27339       0.5281423 10.02691       0.8134485 10.45301       0.6944091 -0.6844978     1.677262  
1 1 1 3   32 12 o 38.58628 0.9642706 15.28069       0.6910653 14.06399       1.204368  15.87792       0.8437955 -2.410168      1.928541  
1 1 1 3   32 13 o 21.76293 1.555636  4.830777       0.6368659 7.173513       0.9454436 2.884683       0.8616992 9.831768       3.111273  
1 1 1 3   32 14 o 36.95694 1.189965  13.65205       0.8762122 12.44200       1.180582  15.13603       1.307403  -3.617813      2.379931  
1 1 1 3   32 15 f 34.13283 1.259272  11.71729       0.8547401 13.54120       1.242236  10.07742       1.177898  5.059221       2.518543  
1 1 1 3   32 16 o 20.75463 1.620062  4.364680       0.6720859 4.162623       0.9375650 4.578261       0.9639293 -0.9932423     3.240124  
1 1 1 3   32 17 o 19.83990 1.304300  3.137530       0.4346431 2.552019       0.4815117 5.713548       1.009983  -7.830239      2.608599  
1 1 1 3   32 18 o 57.36071 0.8117648 33.02360       0.9311548 32.96032       1.306132  33.08900       1.327840  -0.1086540     1.623530  
1 1 1 3   32 19 o 56.04251 0.8076214 31.49944       0.9048301 30.66907       1.257263  32.39164       1.303221  -1.529358      1.615243  
1 1 1 3   32 20 o 34.55379 0.7564788 11.98351       0.5226261 12.31050       0.7385868 11.65561       0.7396241 0.9478149      1.512958  
1 1 1 3   32 21 o 39.23594 0.7525742 15.40826       0.5896909 14.68421       0.8077009 16.23473       0.8629342 -1.966602      1.505148  
1 1 1 3   32 22 o 9.774076 1.614574  1.003335       0.3134018 1.281444       0.4545699 0.7513717      0.4326745 2.578375       3.229147  
1 1 1 3   32 23 f 43.13201 0.7668507 18.66705       0.6613877 19.18231       0.9439037 18.17007       0.9270121 1.170528       1.533701  
1 1 1 3   32 24 o 17.06416 1.047653  2.927137       0.3568454 3.018036       0.5242846 2.848683       0.4870782 0.4872208      2.095307  
1 1 1 3   32 25 o 32.14292 0.8316875 10.43357       0.5314643 9.767566       0.7795678 11.01190       0.7264486 -1.946280      1.663375  
1 1 1 3   32 26 o 35.14019 0.9437918 12.34203       0.6608726 11.08395       0.8955449 13.84642       0.9792898 -3.910698      1.887584  
1 1 1 3   32 27 o 38.38116 0.9552114 14.77920       0.7321290 13.90475       1.003810  15.77304       1.070144  -2.418358      1.910423  
1 1 1 3   32 28 o 40.79117 1.366451  0.000000       0.000000  ?              ?         16.74881       1.114783  ?              ?         
1 1 1 3   33 0  o 131.5037 1.451678  174.5875       3.814863  170.9367       5.268798  178.6104       5.530794  -2.850525      2.903356  
1 1 1 3   33 1  o 77.22084 0.9466183 59.83417       1.460658  58.49189       2.015189  61.31996       2.120172  -1.813606      1.893237  
1 1 1 3   33 2  f 115.0939 1.291201  133.1403       2.964343  128.0046       4.020728  139.2561       4.387699  -4.804222      2.582402  
1 1 1 3   33 3  f 53.69810 0.7849593 28.92431       0.8429208 28.95729       1.183559  28.89036       1.200767  0.6471252E-01  1.569919  
1 1 1 3   33 4  o 75.78595 0.9351903 57.68747       1.417395  57.70551       1.993453  57.66903       2.015732  0.2777100E-01  1.870381  
1 1 1 3   33 5  o 50.03011 0.7674729 25.04865       0.7666377 24.19920       1.048011  26.02645       1.124394  -1.815689      1.534946  
1 1 1 3   33 6  o 17.60808 1.002924  3.099863       0.3490326 2.489200       0.4755060 3.813248       0.5139455 -3.752913      2.005847  
1 1 1 3   33 7  o 61.25737 0.8257572 37.45980       1.007919  35.50587       1.356287  39.86993       1.506314  -3.539558      1.651514  
1 1 1 3   33 8  o 83.48940 1.001199  70.04960       1.671313  69.29385       2.331084  70.84903       2.397501  -0.9190979     2.002398  
1 1 1 3   33 9  o 63.17817 0.8457950 39.97721       1.066609  38.72990       1.454969  41.42623       1.568215  -2.115902      1.691590  
1 1 1 3   33 10 o 68.96582 0.9635689 47.89361       1.318773  47.04357       1.983051  48.56763       1.765842  -1.145042      1.927138  
1 1 1 3   33 11 o 49.98872 1.162801  25.00026       1.157088  23.45211       1.547698  26.96211       1.742264  -3.466385      2.325602  
1 1 1 3   33 12 o 12.21894 2.211758  1.597589       0.5523173 1.990802       0.7751781 1.192138       0.7871487 2.950677       4.423517  
1 1 1 3   33 13 o 21.92374 0.8913166 4.839998       0.3870700 5.719626       0.5557862 4.011530       0.5393817 3.892643       1.782633  
1 1 1 3   33 14 o 26.03838 0.8003424 6.802763       0.4164667 7.181879       0.5947900 6.438122       0.5833231 1.426331       1.600685  
1 1 1 3   33 15 o 19.54942 0.9022034 3.834337       0.3524184 3.700707       0.4856574 3.982968       0.5121900 -0.7168179     1.804407  
1 1 1 3   33 16 o 34.69881 0.7480096 12.00083       0.5172955 10.85224       0.7004722 13.37871       0.7672065 -3.629459      1.496019  
1 1 1 3   33 17 o 39.85021 0.7496536 15.93866       0.5973474 16.32828       0.8450691 15.54957       0.8444847 0.9769554      1.499307  
1 1 1 3   33 18 o 8.373066 1.577301  0.7036039      0.2962993 0.2576597      0.4135782 1.173864       0.4247044 -4.428282      3.154601  
1 1 1 3   33 19 o 55.12835 0.8112279 30.50925       0.8942934 31.21020       1.276826  29.83426       1.252955  1.243603       1.622456  
1 1 1 3   33 20 f 39.07866 0.7585305 15.29708       0.5922209 14.46964       0.8170817 16.21284       0.8595877 -2.222927      1.517061  
1 1 1 3   33 21 o 12.92348 1.310000  1.713738       0.3249563 2.131205       0.4719863 1.337520       0.4480616 3.220469       2.620001  
1 1 1 3   33 22 f 6.085208 1.662880  0.1927734      0.3053459 -0.9358065E-01 0.4422362 0.4536623      0.4221147 -1.878290      3.325760  
1 1 1 3   33 23 o 9.686304 1.724541  0.9743383      0.3356922 1.241412       0.5041975 0.7616820      0.4499084 2.280453       3.449082  
1 1 1 3   33 24 o 26.60851 0.9975902 7.129739       0.5308196 7.037947       0.7532182 7.220309       0.7481916 -0.3439026     1.995180  
1 1 1 3   33 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   34 0  o 59.09239 0.8235704 34.96934       0.9716129 33.72902       1.327123  36.40211       1.426375  -2.245476      1.647141  
1 1 1 3   34 1  o 8.141047 1.793861  0.6687725      0.3238935 0.7442073      0.4645662 0.5974237      0.4518093 0.7143493      3.587722  
1 1 1 3   34 2  o 31.10648 0.7760546 9.725121       0.4819699 10.10090       0.6711249 9.324907       0.6925988 1.250641       1.552109  
1 1 1 3   34 3  o 59.31029 0.8272768 35.15162       0.9790326 37.93076       1.444441  32.78988       1.331560  4.315182       1.654554  
1 1 1 3   34 4  o 21.42587 0.8917754 4.621113       0.3812990 4.902657       0.5343713 4.329073       0.5442405 1.340300       1.783551  
1 1 1 3   34 5  o 19.08312 1.306854  3.828554       0.4479118 3.321021       0.8126624 4.050008       0.5368099 -1.980076      2.613707  
1 1 1 3   34 6  o 50.82741 1.169523  25.96905       1.186569  24.94891       1.617939  27.15628       1.745428  -2.140625      2.339046  
1 1 1 3   34 7  o 40.15207 1.057458  16.27664       0.8144563 16.39793       1.019154  16.06229       1.354870  0.4922791      2.114916  
1 1 1 3   34 8  o 45.86437 0.7709802 20.85624       0.7026781 24.29564       1.059169  18.15242       0.9391032 6.677006       1.541960  
1 1 1 3   34 9  o 51.89342 0.7864936 27.03092       0.8161706 27.65297       1.160600  26.42233       1.147982  1.183529       1.572987  
1 1 1 3   34 10 o 33.49086 0.7578034 11.13067       0.5046994 9.837627       0.6748146 12.77213       0.7603159 -4.366571      1.515607  
1 1 1 3   34 11 o 54.95560 0.7994328 30.31313       0.8782939 30.02840       1.222032  30.61736       1.263180  -0.5285645     1.598866  
1 1 1 3   34 12 o 53.12963 0.7961476 28.29414       0.8453040 29.72913       1.223174  26.98231       1.169511  2.575596       1.592295  
1 1 1 3   34 13 o 44.03839 0.7559071 19.46583       0.6655723 19.56231       0.9310598 19.36499       0.9518059 0.2275238      1.511814  
1 1 1 3   34 14 o 19.51852 0.9437896 3.846139       0.3667369 3.455216       0.5220636 4.226985       0.5152914 -1.978464      1.887579  
1 1 1 3   34 15 o 25.85900 0.8130926 6.693364       0.4197103 6.170928       0.5762030 7.283859       0.6125864 -2.145061      1.626185  
1 1 1 3   34 16 o 35.43920 0.7591123 12.60553       0.5379777 12.43942       0.7534618 12.77829       0.7683884 -0.4753914     1.518225  
1 1 1 3   34 17 o 48.26466 0.7751478 23.27365       0.7463310 25.37784       1.101750  21.48927       1.014574  4.011585       1.550296  
1 1 1 3   34 18 o 49.59594 0.7871015 24.70509       0.7806873 25.11309       1.107943  24.30276       1.100214  0.8153954      1.574203  
1 1 1 3   34 19 f 37.56662 0.7652664 14.09379       0.5734183 13.02426       0.7782465 15.36400       0.8481240 -3.100964      1.530533  
1 1 1 3   34 20 f 30.58963 0.9701623 9.417071       0.5934969 9.306897       0.8334443 9.530414       0.8453450 -0.3625164     1.940325  
1 1 1 3   34 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   35 0  o 36.62246 1.140463  13.45160       0.8321346 15.22487       1.222096  11.91877       1.136223  4.492043       2.280925  
1 1 1 3   35 1  f 52.15475 1.063658  27.25089       1.067815  26.87169       1.335140  27.92398       1.778814  -0.9046097     2.127316  
1 1 1 3   35 2  o 43.14560 0.9097869 19.08431       0.7550185 20.22980       0.9625580 17.25245       1.217240  3.501137       1.819574  
1 1 1 3   35 3  o 28.38103 1.048200  8.113007       0.5945814 8.484197       0.8433087 7.746087       0.8384424 1.299215       2.096400  
1 1 1 3   35 4  o 38.29168 1.006922  14.70661       0.7697334 13.89245       1.050943  15.64877       1.130545  -2.275242      2.013845  
1 1 1 3   35 5  o 19.94466 1.215896  4.033033       0.4816529 4.579952       0.6817527 3.488011       0.6805690 2.737101       2.431791  
1 1 1 3   35 6  o 30.19442 0.9052535 9.287125       0.5364369 8.438059       0.8200212 9.922294       0.7092500 -2.480595      1.810507  
1 1 1 3   35 7  f 24.42362 0.8452464 5.994757       0.4127446 6.072121       0.5787672 5.914692       0.5887796 0.3242550      1.690493  
1 1 1 3   35 8  o 50.77721 0.7898526 25.87971       0.8019157 26.72154       1.146225  25.07263       1.122313  1.619209       1.579705  
1 1 1 3   35 9  o 30.54544 0.7828689 9.333200       0.4772471 8.579633       0.6536924 10.19332       0.6983804 -2.633051      1.565738  
1 1 1 3   35 10 o 13.63711 1.233442  1.879294       0.3363938 1.866778       0.4728079 1.892124       0.4787125 -0.9113598E-01 2.466883  
1 1 1 3   35 11 o 8.301758 1.690410  0.6812053      0.3189258 1.088106       0.4589321 0.3011736      0.4435211 3.674390       3.380820  
1 1 1 3   35 12 o 8.182590 1.715366  0.6860332      0.3070556 0.8767204      0.4359521 0.4983087      0.4325522 1.842789       3.430733  
1 1 1 3   35 13 o 66.89774 0.8866722 44.99319       1.186248  45.62305       1.688692  44.37959       1.666739  0.9245605      1.773344  
1 1 1 3   35 14 o 24.62285 0.8449408 6.071329       0.4153288 5.731872       0.5669187 6.464585       0.6101930 -1.478954      1.689882  
1 1 1 3   35 15 o 51.94503 1.056914  27.14495       1.097052  28.54107       1.590567  25.87814       1.515114  2.543537       2.113829  
1 1 1 3   35 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   36 0  o 51.49812 0.7959445 26.64090       0.8195903 27.36575       1.160548  25.91972       1.157609  1.403389       1.591889  
1 1 1 3   36 1  o 34.92847 0.7722190 12.13124       0.5349718 14.57462       0.7970054 10.12769       0.7217143 6.351513       1.544438  
1 1 1 3   36 2  o 31.71550 0.7890773 10.09563       0.5001051 9.949998       0.6912763 10.25556       0.7243965 -0.4753132     1.578155  
1 1 1 3   36 3  o 42.80583 0.7638733 18.31313       0.6518105 17.41840       0.8795367 19.40317       0.9708046 -2.301289      1.527747  
1 1 1 3   36 4  o 40.35858 0.7719722 16.36707       0.6225845 16.73182       0.8691116 15.98262       0.8922805 0.9325333      1.543944  
1 1 1 3   36 5  o 60.60384 0.8475119 36.91162       1.027209  37.26386       1.452046  36.55876       1.453342  0.5819969      1.695024  
1 1 1 3   36 6  o 15.70501 1.460073  2.505100       0.4571697 2.475027       0.6713281 2.531106       0.6243016 -0.1953850     2.920146  
1 1 1 3   36 7  o 62.71017 1.659358  0.000000       0.000000  ?              ?         39.70608       2.081172  ?              ?         
1 1 1 3   36 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 3   36 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   0  0  o 256.0966 3.783812  657.1652       19.36039  652.5908       27.19727  661.8645       27.56591  -0.000000      0.000000  
1 1 1 4   0  1  o 79.56969 1.243820  63.26259       1.973639  61.09821       2.694613  65.76750       2.898859  -0.000000      0.000000  
1 1 1 4   0  2  o 82.80879 1.287764  68.67445       2.130375  68.26595       2.995937  69.09229       3.029962  -0.000000      0.000000  
1 1 1 4   0  3  o 198.1655 2.938942  393.3844       11.63606  394.5069       16.53961  392.2842       16.37341  -0.000000      0.000000  
1 1 1 4   0  4  o 487.2129 7.173521  2382.967       69.82507  2359.396       97.84889  2407.423       99.67146  -0.000000      0.000000  
1 1 1 4   0  5  o 37.89212 0.7165486 14.36117       0.5415604 13.80721       0.7445752 14.98342       0.7891296 -0.000000      0.000000  
1 1 1 4   0  6  o 485.3783 9.115329  2028.561       67.67477  2938.636       173.5221  1865.301       73.49467  -0.000000      0.000000  
1 1 1 4   0  7  o 29.12825 0.6326324 8.490610       0.3673896 8.068198       0.5061501 8.960981       0.5341116 -0.000000      0.000000  
1 1 1 4   0  8  o 32.69473 0.6723918 10.70791       0.4386601 11.03028       0.6317824 10.40785       0.6095338 -0.000000      0.000000  
1 1 1 4   0  9  f 70.89911 1.133299  50.31751       1.604513  51.32757       2.309725  49.37548       2.230591  -0.000000      0.000000  
1 1 1 4   0  10 o 61.86890 1.249602  38.83587       1.493489  36.45601       2.399199  40.34148       1.908310  -0.000000      0.000000  
1 1 1 4   0  11 o 409.7105 6.031909  1676.113       49.19952  1610.791       66.31101  1756.109       73.38237  -0.000000      0.000000  
1 1 1 4   0  12 o 709.8647 13.13482  4931.198       168.3759  5403.378       321.0453  4752.042       197.7555  -0.000000      0.000000  
1 1 1 4   0  13 o 54.49384 0.9383622 29.50513       1.015419  27.61860       1.350465  31.95902       1.540208  -0.000000      0.000000  
1 1 1 4   0  14 o 626.6786 9.204420  3921.716       114.7512  4142.866       172.1359  3744.829       153.9484  -0.000000      0.000000  
1 1 1 4   0  15 o 224.4951 3.324011  502.8881       14.85978  527.0623       22.12226  483.0132       20.05876  -0.000000      0.000000  
1 1 1 4   0  16 o 371.5608 5.469611  1383.491       40.60412  1388.582       57.78783  1378.527       57.06480  -0.000000      0.000000  
1 1 1 4   0  17 o 358.4546 5.271688  1287.664       37.75644  1284.536       53.25597  1290.826       53.53646  -0.000000      0.000000  
1 1 1 4   0  18 o 479.1381 7.057766  2302.574       67.56431  2323.749       96.12172  2281.895       94.98907  -0.000000      0.000000  
1 1 1 4   0  19 f 94.35735 1.804238  90.09701       3.264583  92.44973       4.112547  86.08868       5.367920  -0.000000      0.000000  
1 1 1 4   0  20 o 63.55452 1.068685  40.40880       1.355620  39.14769       1.872167  41.79879       1.965508  -0.000000      0.000000  
1 1 1 4   0  21 f 204.3130 3.031478  417.9087       12.36784  426.1131       17.86403  410.3559       17.13998  -0.000000      0.000000  
1 1 1 4   0  22 o 211.1001 3.129530  446.4339       13.19832  442.5490       18.49173  450.4682       18.84372  -0.000000      0.000000  
1 1 1 4   0  23 f 207.3790 3.077650  430.4441       12.73993  420.5719       17.56092  441.4128       18.51051  -0.000000      0.000000  
1 1 1 4   0  24 o 147.4685 2.217244  217.8416       6.532573  216.4835       9.183640  219.2326       9.294262  -0.000000      0.000000  
1 1 1 4   0  25 o 63.38158 1.081014  39.69385       1.355858  44.26530       2.098877  36.41993       1.776208  -0.000000      0.000000  
1 1 1 4   0  26 o 233.8684 4.903886  548.4151       22.91482  548.4151       22.91482  548.4151       22.91482  -0.000000      0.000000  
1 1 1 4   0  27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   0  28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   0  29 o 26.42827 1.239498  7.031210       0.6520714 7.031210       0.6520714 7.031210       0.6520714 -0.000000      0.000000  
1 1 1 4   0  30 o 74.11337 1.503082  55.75806       2.137218  57.67828       2.701387  52.54500       3.494385  -0.000000      0.000000  
1 1 1 4   0  31 o 34.69799 0.8721450 12.08366       0.6033831 12.19716       0.8655261 11.97634       0.8416019 -0.000000      0.000000  
1 1 1 4   0  32 o 121.2516 1.857499  147.2719       4.498653  149.0645       6.448925  145.5728       6.278605  -0.000000      0.000000  
1 1 1 4   0  33 o 11.39322 1.871415  1.507255       0.3688452 1.159410       0.5231549 1.851063       0.5201101 -0.000000      0.000000  
1 1 1 4   0  34 o 94.67458 1.499171  89.78478       2.834885  88.44616       3.959008  91.19341       4.061210  -0.000000      0.000000  
1 1 1 4   0  35 o 88.32024 1.415902  78.09155       2.496574  76.07123       3.455381  80.29813       3.611145  -0.000000      0.000000  
1 1 1 4   0  36 o 92.21570 1.469690  85.05227       2.702709  88.06779       3.966026  82.43768       3.692980  -0.000000      0.000000  
1 1 1 4   0  37 o 199.1850 2.978346  397.9713       11.83322  385.8497       16.18387  411.8961       17.34591  -0.000000      0.000000  
1 1 1 4   0  38 o 96.23708 1.525865  92.78276       2.931490  94.74744       4.243053  90.98850       4.054852  -0.000000      0.000000  
1 1 1 4   0  39 o 41.98368 0.9320941 17.36623       0.7737488 14.93746       1.019237  20.66978       1.188698  -0.000000      0.000000  
1 1 1 4   0  40 o 107.8587 1.686100  116.6942       3.632817  115.2120       5.089390  118.2340       5.187164  -0.000000      0.000000  
1 1 1 4   0  41 o 49.91941 0.9964507 24.98386       0.9927366 24.07939       1.388069  25.93092       1.420371  -0.000000      0.000000  
1 1 1 4   0  42 o 13.80553 1.459703  1.995145       0.3821074 1.891911       0.5575652 2.086565       0.5246945 -0.000000      0.000000  
1 1 1 4   0  43 f 39.32861 0.9517342 15.41585       0.7425331 16.62092       1.124289  14.48355       0.9888931 -0.000000      0.000000  
1 1 1 4   0  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   0  45 o 39.34373 0.9799898 15.52736       0.7674441 15.93452       1.127891  15.17634       1.047250  -0.000000      0.000000  
1 1 1 4   0  46 o 9.326352 2.100069  1.088529       0.4007485 1.828053       0.6015885 0.4985557      0.5373279 -0.000000      0.000000  
1 1 1 4   0  47 o 48.96814 1.040891  23.86757       1.012816  21.45134       1.361356  26.86283       1.515723  -0.000000      0.000000  
1 1 1 4   0  48 o 52.81351 1.071041  27.90033       1.125709  29.33935       1.673696  26.71159       1.521195  -0.000000      0.000000  
1 1 1 4   0  49 o 81.21185 1.371418  66.27897       2.224573  65.62899       3.149666  66.92594       3.142388  -0.000000      0.000000  
1 1 1 4   0  50 o 62.18082 1.170083  38.83898       1.452475  37.62561       2.040744  40.08467       2.067744  -0.000000      0.000000  
1 1 1 4   0  51 o 11.71089 2.023186  1.494080       0.4586841 3.141710       0.7600305 0.5501956      0.5752554 -0.000000      0.000000  
1 1 1 4   0  52 o 10.70931 2.958636  1.620998       0.6087914 1.741032       0.7692478 1.419801       0.9959220 -0.000000      0.000000  
1 1 1 4   0  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   0  54 o 5.194736 2.238831  0.1928578      0.4669337 -0.4412830     0.8026780 0.5172096      0.5740592 -0.000000      0.000000  
1 1 1 4   0  55 o 57.99832 1.178157  33.71680       1.357195  35.05372       2.040221  32.65559       1.817717  -0.000000      0.000000  
1 1 1 4   0  56 o 23.27358 1.403586  5.636642       0.6334694 5.034986       0.9488351 6.120476       0.8508718 -0.000000      0.000000  
1 1 1 4   0  57 o 14.07862 2.353421  2.523160       0.5416243 1.753392       0.8859231 2.982602       0.6844334 -0.000000      0.000000  
1 1 1 4   0  58 o 11.06758 2.807698  1.668969       0.5638264 1.537876       0.9335967 1.744234       0.7074023 -0.000000      0.000000  
1 1 1 4   0  59 o 12.59340 2.719609  1.993497       0.5761650 2.022979       0.9929280 1.978530       0.7074499 -0.000000      0.000000  
1 1 1 4   0  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   1  0  o 307.9775 3.229136  949.2059       19.88229  937.3627       27.66803  961.8517       28.59027  -3.964417      6.458272  
1 1 1 4   1  1  o 426.4521 4.461873  1813.475       37.85096  1905.971       57.09064  1740.928       50.56087  19.23996       8.923745  
1 1 1 4   1  2  o 300.6715 3.143278  904.8377       18.89987  915.2758       26.97062  894.7663       26.49268  3.404907       6.286555  
1 1 1 4   1  3  f 306.0389 3.194511  915.3643       19.13777  837.1290       24.27584  1043.822       31.10661  -33.68643      6.389021  
1 1 1 4   1  4  o 409.5959 4.276747  1666.895       34.77286  1573.609       45.95393  1791.862       53.18786  -26.52603      8.553493  
1 1 1 4   1  5  o 321.0188 3.339779  1029.586       21.40257  1065.492       31.43363  998.5532       29.22277  10.39825       6.679559  
1 1 1 4   1  6  o 105.5040 1.151699  111.0981       2.425260  114.7424       3.566162  107.9622       3.308037  3.212112       2.303398  
1 1 1 4   1  7  o 245.8180 2.559275  604.5955       12.58083  609.8099       17.95756  599.5691       17.63091  2.079895       5.118550  
1 1 1 4   1  8  o 57.88084 0.6799585 33.42222       0.7858737 32.13270       1.074932  34.90286       1.151836  -2.392799      1.359917  
1 1 1 4   1  9  o 358.8751 3.738744  1265.705       26.40563  1419.779       42.06994  1165.549       33.91915  35.32410       7.477487  
1 1 1 4   1  10 o 464.4804 4.832538  2149.649       44.69263  2047.371       59.91489  2277.945       67.10421  -24.73056      9.665076  
1 1 1 4   1  11 o 382.2216 4.767097  1482.907       35.46211  1559.236       45.87955  1369.630       55.89160  24.90247       9.534195  
1 1 1 4   1  12 o 382.5739 3.992026  1464.522       30.54135  1487.914       43.59217  1441.969       42.80264  5.998871       7.984052  
1 1 1 4   1  13 o 158.3766 1.668291  249.9735       5.268341  240.1156       7.126187  261.8557       7.823682  -6.861267      3.336582  
1 1 1 4   1  14 o 168.9527 1.935540  279.5820       6.311077  264.2523       7.850614  307.5872       10.61096  -12.81433      3.871081  
1 1 1 4   1  15 o 454.0964 4.718541  2064.034       42.84270  2088.352       61.41081  2040.976       59.79881  5.201477       9.437081  
1 1 1 4   1  16 o 399.2051 5.352521  1595.887       41.85069  1598.192       66.28798  1594.360       53.96602  0.3464050      10.70504  
1 1 1 4   1  17 o 200.3190 2.968812  399.2361       11.83572  380.1594       15.82918  423.4250       17.82435  -10.78595      5.937624  
1 1 1 4   1  18 o 268.7112 2.798731  722.4263       15.04048  726.6274       21.38021  718.3104       21.16237  1.546051       5.597462  
1 1 1 4   1  19 o 75.43016 0.8667056 56.88142       1.307289  55.80724       1.828560  58.00447       1.869699  -1.456360      1.733411  
1 1 1 4   1  20 o 176.1062 1.856009  308.5702       6.506707  294.1075       8.714545  326.7903       9.781313  -9.272766      3.712018  
1 1 1 4   1  21 o 83.32306 0.9393111 68.04234       1.542323  77.46080       2.448400  61.84630       1.985863  9.368172       1.878622  
1 1 1 4   1  22 o 229.9399 2.401026  528.5709       11.03209  516.8501       15.22390  541.5322       16.00919  -5.358429      4.802052  
1 1 1 4   1  23 o 116.3537 1.556331  131.7321       3.284763  144.1853       6.236723  126.9516       3.864140  7.386536       3.112662  
1 1 1 4   1  24 o 196.0839 2.915506  383.6462       11.39743  368.5015       15.40332  401.9706       16.94330  -8.506958      5.831012  
1 1 1 4   1  25 o 180.6111 2.688902  326.3653       9.704706  334.1925       14.07504  319.2719       13.39896  4.117340       5.377804  
1 1 1 4   1  26 o 201.5934 2.616815  400.1705       9.697834  390.0436       11.54809  424.3986       17.86206  -8.389267      5.233631  
1 1 1 4   1  27 o 144.0953 1.533430  207.6458       4.417581  211.1199       6.351920  204.3913       6.147880  2.332321       3.066860  
1 1 1 4   1  28 f 197.9641 2.545843  392.7219       9.513866  393.1599       11.66944  391.8537       16.42966  0.4310913      5.091685  
1 1 1 4   1  29 o 203.8396 3.027082  416.4040       12.33869  421.0812       17.64630  411.9297       17.25923  2.234039       6.054165  
1 1 1 4   1  30 o 80.18843 1.295583  63.58128       2.059267  59.07479       2.703026  69.81468       3.179018  -6.690453      2.591166  
1 1 1 4   1  31 o 141.3982 1.865948  197.0451       4.871764  208.1991       8.895425  192.2661       5.822636  5.571732       3.731896  
1 1 1 4   1  32 o 164.7424 1.744789  270.5219       5.728220  258.8008       7.719266  284.8864       8.545442  -7.899445      3.489578  
1 1 1 4   1  33 o 42.30729 0.6515300 17.89077       0.5511122 18.41866       0.7911682 17.39318       0.7681235 1.211723       1.303060  
1 1 1 4   1  34 o 117.1143 1.274929  136.3398       2.969983  128.9942       3.959655  145.7877       4.490663  -7.158440      2.549859  
1 1 1 4   1  35 o 85.56879 0.9745587 72.92855       1.662258  69.43429       2.242411  77.19066       2.476567  -4.527489      1.949117  
1 1 1 4   1  36 o 77.25494 0.9021960 59.45475       1.389716  62.96813       2.066037  56.55152       1.878089  4.148750       1.804392  
1 1 1 4   1  37 o 77.07722 0.9021715 59.39989       1.389906  60.84928       2.008300  58.06747       1.925557  1.802315       1.804343  
1 1 1 4   1  38 f 84.97862 0.9730364 72.13648       1.651344  69.77578       2.262631  74.82710       2.415570  -2.967056      1.946073  
1 1 1 4   1  39 o 32.67182 0.6346395 10.64820       0.4139950 11.53205       0.6028962 9.859598       0.5694860 2.558603       1.269279  
1 1 1 4   1  40 o 63.10518 0.7919449 39.83449       0.9992153 39.03993       1.392331  40.67829       1.434834  -1.296577      1.583890  
1 1 1 4   1  41 o 25.52434 0.6785908 6.473341       0.3451504 7.240253       0.5123177 5.835968       0.4670497 2.749321       1.357182  
1 1 1 4   1  42 o 72.78772 0.8731415 53.01529       1.270632  54.05021       1.826765  52.04528       1.768538  1.374458       1.746283  
1 1 1 4   1  43 o 57.34263 0.7610725 32.50270       0.8664159 29.62717       1.143628  36.37663       1.327401  -5.876484      1.522145  
1 1 1 4   1  44 o 28.81685 0.7095861 8.266211       0.4072762 9.403428       0.5990213 7.288589       0.5554003 3.667282       1.419172  
1 1 1 4   1  45 o 61.05132 0.7932995 37.32461       0.9686365 37.19845       1.369200  37.45100       1.370518  -0.2067451     1.586599  
1 1 1 4   1  46 o 26.80645 0.7323983 7.180491       0.3913636 6.399217       0.5410061 8.038163       0.5668407 -3.055349      1.464797  
1 1 1 4   1  47 o 59.60221 0.7900817 35.58808       0.9418105 35.68655       1.332527  35.48979       1.331316  0.1649666      1.580163  
1 1 1 4   1  48 o 15.15083 1.075319  2.306709       0.3212059 2.841597       0.4657920 1.821722       0.4435325 3.363185       2.150637  
1 1 1 4   1  49 o 30.52085 0.7400486 9.336865       0.4513980 8.912856       0.6380079 9.761848       0.6387392 -1.390776      1.480097  
1 1 1 4   1  50 o 48.55229 0.7478911 23.52631       0.7245620 25.06469       1.070004  22.22351       0.9846767 2.917439       1.495782  
1 1 1 4   1  51 o 38.06255 1.049882  14.57252       0.7977121 14.10365       1.152479  15.00376       1.105272  -1.189285      2.099764  
1 1 1 4   1  52 f 11.75096 1.776579  1.453339       0.3938337 1.467769       0.4956098 1.428615       0.6487401 0.2472801      3.553157  
1 1 1 4   1  53 o 15.86465 1.151888  2.502945       0.3598654 1.947088       0.4833150 3.194511       0.5390949 -3.920826      2.303776  
1 1 1 4   1  54 o 24.27012 1.235997  6.171943       0.5570052 6.655972       0.6883314 5.253710       0.9480642 2.943460       2.471994  
1 1 1 4   1  55 o 44.28114 0.9872046 19.79227       0.8705135 18.38713       1.259734  21.07651       1.204319  -3.046902      1.974409  
1 1 1 4   1  56 o 6.831186 1.871605  0.3007237      0.3649290 0.2141386      0.4996701 0.3997031      0.5342373 -0.8064857     3.743210  
1 1 1 4   1  57 o 30.68694 0.8536997 9.456341       0.5238438 9.237860       0.7325159 9.685026       0.7494277 -0.7253761     1.707399  
1 1 1 4   1  58 o 24.63679 0.9741122 6.103235       0.4797597 6.367207       0.6875742 5.852777       0.6697425 1.040022       1.948224  
1 1 1 4   1  59 o 15.10191 1.685793  2.487347       0.4668402 2.865788       0.6000176 1.906853       0.7431282 3.463744       3.371585  
1 1 1 4   1  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   2  0  o 341.0615 3.852048  1163.583       25.96962  1155.355       34.15787  1174.854       39.97829  -2.773590      7.704097  
1 1 1 4   2  1  o 408.5490 4.948912  1673.454       40.43573  1668.328       56.88609  1678.689       57.48819  -1.256866      9.897824  
1 1 1 4   2  2  f 393.8146 4.093339  1540.540       31.99628  1454.019       42.26818  1656.654       48.96626  -25.62344      8.186679  
1 1 1 4   2  3  o 269.9559 2.818471  728.4706       15.20328  709.3361       20.96317  749.7016       22.08180  -7.464447      5.636943  
1 1 1 4   2  4  o 239.3195 2.502997  568.6487       11.89735  609.7021       18.14176  537.6697       15.75942  15.02702       5.005995  
1 1 1 4   2  5  o 351.4030 3.980066  1229.353       27.45304  1198.933       35.36334  1275.494       43.55225  -10.77203      7.960133  
1 1 1 4   2  6  o 420.7017 4.682458  1757.635       39.21496  1572.737       52.68432  1987.344       58.72237  -49.17029      9.364917  
1 1 1 4   2  7  o 214.3919 2.239416  459.8718       9.602190  458.6959       13.54957  461.0580       13.60972  -0.5503998     4.478832  
1 1 1 4   2  8  o 234.8515 2.451670  551.6575       11.51096  559.0271       16.55630  544.7618       16.01509  3.032562       4.903339  
1 1 1 4   2  9  f 314.2207 3.273669  982.3994       20.46084  1041.758       30.91146  936.1125       27.29652  16.77579       6.547338  
1 1 1 4   2  10 o 71.38745 0.8124751 49.61054       1.137556  44.53989       1.446803  57.82066       1.840995  -9.301125      1.624950  
1 1 1 4   2  11 o 262.5333 2.746573  689.0628       14.41348  703.0157       20.80110  676.1762       19.99054  5.107178       5.493147  
1 1 1 4   2  12 o 270.0974 2.810976  728.3029       15.15717  706.1557       20.70385  753.8828       22.25057  -8.827209      5.621952  
1 1 1 4   2  13 o 403.5684 4.205919  1610.090       33.60818  1768.455       52.14446  1497.557       43.95600  33.49884       8.411838  
1 1 1 4   2  14 o 259.1369 2.697025  671.7795       13.97782  673.3729       19.82265  670.2036       19.71306  0.6109314      5.394051  
1 1 1 4   2  15 o 132.0621 1.991073  173.9635       5.245495  168.1606       7.122785  180.8402       7.753826  -4.798157      3.982147  
1 1 1 4   2  16 o 316.0989 3.286916  997.4763       20.73870  1035.341       30.49952  964.9135       28.28357  11.12509       6.573831  
1 1 1 4   2  17 o 322.0418 3.345084  1036.282       21.51623  1009.234       29.53008  1066.893       31.41433  -8.937622      6.690169  
1 1 1 4   2  18 o 328.5393 3.414930  1077.204       22.38186  1039.485       30.38940  1121.919       33.08795  -12.52148      6.829860  
1 1 1 4   2  19 o 319.8525 3.323208  1020.557       21.19680  1067.095       31.44301  981.7881       28.69826  13.30856       6.646415  
1 1 1 4   2  20 f 219.3215 2.772945  487.7572       11.77957  454.4135       18.85341  509.1087       15.08681  -12.50427      5.545891  
1 1 1 4   2  21 f 272.8580 4.022981  745.8542       21.95335  742.3397       30.89880  749.4370       31.19681  -1.295746      8.045962  
1 1 1 4   2  22 o 121.2768 1.843222  146.5941       4.457353  140.4577       6.028821  153.9926       6.619850  -5.575020      3.686443  
1 1 1 4   2  23 o 146.0426 1.926283  207.1678       5.090294  199.2840       5.975852  228.0131       9.717082  -9.797501      3.852566  
1 1 1 4   2  24 o 76.37544 0.8760981 58.16379       1.335362  55.80419       1.817423  60.93226       1.968596  -3.356323      1.752196  
1 1 1 4   2  25 o 144.2427 1.534645  208.0230       4.424754  212.1474       6.386901  204.2166       6.135748  2.746231       3.069291  
1 1 1 4   2  26 o 168.6673 1.779042  283.8688       5.986676  295.9563       8.844272  273.6468       8.133228  6.603271       3.558084  
1 1 1 4   2  27 o 182.0648 1.916406  331.7343       6.977990  332.9543       9.914006  330.5365       9.823356  0.6626282      3.832812  
1 1 1 4   2  28 o 335.7619 3.495745  1130.447       23.46986  1143.365       33.60408  1118.145       32.79355  3.731201       6.991490  
1 1 1 4   2  29 o 99.37557 1.094329  98.71629       2.173831  96.77016       3.015251  100.8226       3.136877  -2.037704      2.188659  
1 1 1 4   2  30 o 145.6985 1.550531  212.1887       4.513934  217.6692       6.556671  207.2507       6.223673  3.570084       3.101062  
1 1 1 4   2  31 o 112.6537 1.502414  127.3978       3.204279  128.2477       3.947415  125.7561       5.486615  1.131248       3.004829  
1 1 1 4   2  32 o 130.9655 1.989773  171.4862       5.204475  166.9323       7.137757  176.6557       7.604914  -3.700607      3.979546  
1 1 1 4   2  33 o 55.54644 1.017197  30.36725       1.119388  27.33986       1.465323  34.60976       1.734644  -6.539829      2.034395  
1 1 1 4   2  34 o 160.7319 2.082454  260.0099       6.359284  255.2460       10.79224  262.5438       7.870852  -2.371597      4.164908  
1 1 1 4   2  35 o 100.2133 1.109656  99.84424       2.212649  106.7732       3.339106  94.41991       2.954407  6.154381       2.219312  
1 1 1 4   2  36 o 120.8896 1.418224  145.9455       3.380858  143.9841       4.412112  148.7351       5.261859  -1.935104      2.836448  
1 1 1 4   2  37 o 38.49480 0.6399512 14.82481       0.4926556 14.62391       0.6973121 15.02502       0.6961300 -0.5210152     1.279902  
1 1 1 4   2  38 o 61.91026 0.7761203 38.00492       0.9555197 41.57443       1.448952  35.25804       1.271072  5.096512       1.552241  
1 1 1 4   2  39 o 57.38585 0.7466151 32.88203       0.8556730 31.68808       1.172395  34.24299       1.251703  -2.223602      1.493230  
1 1 1 4   2  40 o 39.45498 0.6502916 15.55922       0.5128666 15.05786       0.7113506 16.10193       0.7401099 -1.322266      1.300583  
1 1 1 4   2  41 o 64.44687 0.8055331 41.56768       1.038212  41.09988       1.458079  42.04878       1.478645  -0.7353439     1.611066  
1 1 1 4   2  42 o 45.10318 0.6845216 20.35295       0.6173863 20.09225       0.8638714 20.62511       0.8826641 -0.5900116     1.369043  
1 1 1 4   2  43 o 34.09037 0.7433860 11.76501       0.5007214 12.81611       0.6783992 10.50712       0.7421399 3.389557       1.486772  
1 1 1 4   2  44 o 27.31338 0.7194073 7.412899       0.3903696 6.299546       0.5297906 8.735391       0.5774102 -4.456675      1.438815  
1 1 1 4   2  45 o 49.54000 0.7249856 24.33562       0.7144526 22.33911       0.9520382 26.90954       1.080977  -4.605434      1.449971  
1 1 1 4   2  46 f 17.00606 0.9258263 2.898411       0.3146774 2.758613       0.4425659 3.041354       0.4475173 -0.8308887     1.851653  
1 1 1 4   2  47 o 41.20657 0.6989166 17.00104       0.5759495 16.76813       0.8082248 17.24135       0.8209559 -0.5732841     1.397833  
1 1 1 4   2  48 o 35.43984 0.7020900 12.57650       0.4975851 12.33304       0.6985590 12.82724       0.7089390 -0.6964455     1.404180  
1 1 1 4   2  49 o 69.82500 1.148594  48.07821       1.536634  52.06027       2.619283  45.98845       1.897472  4.247925       2.297189  
1 1 1 4   2  50 o 17.87243 1.448968  3.268011       0.5007004 3.016789       0.8020995 3.428407       0.6409090 -1.182241      2.897937  
1 1 1 4   2  51 o 18.88844 0.9737104 3.574347       0.3637166 4.343794       0.5304626 2.891656       0.4996637 3.839834       1.947421  
1 1 1 4   2  52 o 14.97254 1.158165  2.254977       0.3466178 2.345721       0.4908017 2.164681       0.4895838 0.6043673      2.316330  
1 1 1 4   2  53 o 18.14649 1.034806  3.304930       0.3751521 3.096989       0.5205318 3.529678       0.5411596 -1.188602      2.069612  
1 1 1 4   2  54 o 38.39550 0.7673532 14.73313       0.5882026 15.88566       0.8610553 13.72473       0.8054174 2.806507       1.534706  
1 1 1 4   2  55 o 34.01507 0.8046890 11.59067       0.5468253 12.37779       0.7901484 10.86717       0.7575377 2.215572       1.609378  
1 1 1 4   2  56 o 33.82892 1.119738  11.57216       0.7528712 12.01308       1.021624  11.04812       1.113775  1.446964       2.239476  
1 1 1 4   2  57 o 9.277049 1.968616  0.8962857      0.3943059 0.8010166      0.5937948 0.9714305      0.5273631 -0.6498013     3.937231  
1 1 1 4   2  58 o 28.02723 0.8914270 7.866947       0.4980709 8.815496       0.7268740 7.027363       0.6838503 3.181107       1.782854  
1 1 1 4   2  59 o 23.34294 1.405289  5.415788       0.6399599 5.059885       0.8087363 6.011927       1.046683  -1.955561      2.810579  
1 1 1 4   2  60 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   3  0  o 109.6654 1.455140  118.0230       2.930258  114.7277       3.484021  125.9890       5.416902  -5.123932      2.910279  
1 1 1 4   3  1  o 65.29178 1.056309  42.62239       1.379068  43.22697       1.975388  42.04758       1.926139  0.9029617      2.112618  
1 1 1 4   3  2  o 176.6030 1.852703  310.9573       6.525546  325.3387       9.671900  298.9408       8.841002  7.468002       3.705407  
1 1 1 4   3  3  f 399.8010 4.553394  1545.806       34.50514  1775.675       60.91605  1437.209       41.86985  42.00473       9.106788  
1 1 1 4   3  4  o 308.0052 3.205411  938.7531       19.55174  876.8433       25.59599  1025.479       30.29481  -24.07242      6.410823  
1 1 1 4   3  5  f 486.9469 5.097104  2338.178       48.92276  2161.315       63.11528  2604.395       77.43419  -45.22363      10.19421  
1 1 1 4   3  6  o 196.5077 2.056139  386.1426       8.077594  392.2116       11.62450  380.4762       11.23247  2.983063       4.112278  
1 1 1 4   3  7  o 179.3528 1.881570  318.0451       6.681256  347.3158       10.36419  297.2317       8.739616  13.95184       3.763139  
1 1 1 4   3  8  o 338.1291 3.523947  1142.269       23.78293  1178.823       34.96524  1110.795       32.44435  10.03201       7.047894  
1 1 1 4   3  9  o 285.0327 2.966433  812.0623       16.89273  831.4265       24.56717  794.6953       23.26576  6.433380       5.932865  
1 1 1 4   3  10 f 100.0406 1.169097  100.3269       2.332756  104.2478       3.223458  96.01565       3.380147  4.114784       2.338195  
1 1 1 4   3  11 o 667.7903 6.963810  4288.669       89.74549  3830.320       110.8372  5161.271       152.9309  -99.10321      13.92762  
1 1 1 4   3  12 o 168.3023 1.783572  283.2909       6.003423  284.9422       8.528754  281.6692       8.452011  0.9721222      3.567144  
1 1 1 4   3  13 o 453.0769 4.706019  2054.170       42.62549  2089.597       61.36901  2021.148       59.24992  7.534790       9.412039  
1 1 1 4   3  14 o 219.1938 3.241997  480.6532       14.20967  484.8138       20.33391  476.6823       19.86530  1.851883       6.483994  
1 1 1 4   3  15 o 444.9688 4.619320  1976.977       41.01295  1908.474       55.76805  2057.668       60.52579  -16.72055      9.238640  
1 1 1 4   3  16 o 318.8546 3.312542  1015.649       21.09319  987.8280       28.90816  1047.326       30.84667  -9.316101      6.625084  
1 1 1 4   3  17 o 355.9136 4.538726  1264.483       30.32374  1280.225       53.14377  1256.883       36.92480  3.104279       9.077453  
1 1 1 4   3  18 o 51.74502 0.9479517 26.54560       0.9753988 24.73050       1.297368  28.90552       1.479315  -4.033760      1.895903  
1 1 1 4   3  19 o 59.72568 1.023363  35.64663       1.221876  34.73817       1.697288  36.62394       1.760428  -1.578487      2.046726  
1 1 1 4   3  20 o 370.0181 5.441189  1371.327       40.21735  1410.250       58.63512  1336.748       55.26612  9.866302       10.88238  
1 1 1 4   3  21 o 173.0168 1.823020  299.4633       6.308198  300.2721       8.945354  298.6633       8.897120  0.4645691      3.646041  
1 1 1 4   3  22 o 241.4335 2.519315  583.1353       12.15978  592.5695       17.50320  574.3344       16.90543  3.769012       5.038629  
1 1 1 4   3  23 o 119.0976 1.280936  141.7432       3.048715  138.6613       4.212180  145.1342       4.418268  -2.716003      2.561872  
1 1 1 4   3  24 f 132.1452 1.411098  174.6485       3.728712  176.6753       5.335066  172.7130       5.213428  1.498093       2.822195  
1 1 1 4   3  25 o 37.95901 0.5902331 14.39397       0.4478344 14.90770       0.6467174 13.92068       0.6207476 1.299995       1.180466  
1 1 1 4   3  26 o 39.15025 0.5916226 15.32248       0.4630450 15.52765       0.6663612 15.13090       0.6439051 0.5065880      1.183245  
1 1 1 4   3  27 f 147.9314 1.571746  218.2139       4.637392  228.5610       6.871796  209.5611       6.284068  6.414597       3.143492  
1 1 1 4   3  28 o 179.6156 1.891424  322.8074       6.792829  327.0006       9.739994  318.8365       9.478368  2.268311       3.782848  
1 1 1 4   3  29 o 61.44165 0.7541923 37.48505       0.9222678 40.45214       1.390372  35.15378       1.232432  4.310577       1.508385  
1 1 1 4   3  30 o 44.59410 0.6437120 19.82331       0.5730519 20.98072       0.8423180 18.82602       0.7818875 2.415489       1.287424  
1 1 1 4   3  31 o 57.45110 0.7424964 32.77737       0.8494688 30.57788       1.138500  35.53962       1.275860  -4.317070      1.484993  
1 1 1 4   3  32 o 165.2906 1.750799  273.4424       5.786332  276.6322       8.294971  270.4191       8.075656  1.874466       3.501597  
1 1 1 4   3  33 o 72.52234 0.9314550 52.26373       1.325989  50.85526       1.707303  54.40481       2.104999  -2.441460      1.862910  
1 1 1 4   3  34 o 67.88872 1.145527  45.67181       1.545101  49.94392       2.355702  42.44632       2.046901  5.515755       2.291054  
1 1 1 4   3  35 o 68.56146 1.156155  46.84718       1.580583  44.62857       2.136944  49.52698       2.348579  -3.566887      2.312310  
1 1 1 4   3  36 o 74.92645 1.088703  54.16471       1.478510  60.96824       2.827814  51.60515       1.734470  6.217743       2.177406  
1 1 1 4   3  37 f 173.6338 1.841071  301.5878       6.378583  313.8899       9.412153  291.1389       8.674313  6.508209       3.682143  
1 1 1 4   3  38 o 97.16813 1.085179  94.12307       2.101719  99.22320       3.131649  89.94340       2.835002  4.763885       2.170359  
1 1 1 4   3  39 o 147.9877 1.583878  218.9331       4.674642  229.1460       6.930212  210.4071       6.332087  6.290207       3.167756  
1 1 1 4   3  40 o 46.62518 0.6744704 21.74055       0.6286198 22.09275       0.9064122 21.41416       0.8725594 0.7266388      1.348941  
1 1 1 4   3  41 o 32.12030 0.6505134 10.23004       0.4159615 11.58934       0.6221026 9.130953       0.5593978 3.824722       1.301027  
1 1 1 4   3  42 f 42.52356 0.6744478 18.09560       0.5735903 18.21629       0.8115252 17.97511       0.8108334 0.2835541      1.348896  
1 1 1 4   3  43 o 56.33546 0.8124969 31.86148       0.9108084 30.84022       1.345528  32.72521       1.237409  -1.678764      1.624994  
1 1 1 4   3  44 o 41.42606 0.6875080 17.06809       0.5677763 18.68796       0.8442131 15.73025       0.7672125 3.566158       1.375016  
1 1 1 4   3  45 o 37.52831 0.8694713 13.99890       0.6407501 13.55770       0.8249573 14.66979       1.017287  -1.468117      1.738943  
1 1 1 4   3  46 o 66.06316 0.8355734 43.72150       1.104007  43.59063       1.561870  43.85219       1.560734  -0.1980515     1.671147  
1 1 1 4   3  47 o 12.63835 1.688041  1.782464       0.3742184 1.319225       0.6785262 1.984961       0.4486149 -2.848541      3.376083  
1 1 1 4   3  48 o 64.13684 1.180813  41.15695       1.508544  42.99810       2.255304  39.66625       2.029348  2.567875       2.361626  
1 1 1 4   3  49 o 44.35142 0.7338265 19.69116       0.6506141 20.22736       0.9380155 19.19404       0.9031874 1.161781       1.467653  
1 1 1 4   3  50 o 69.58743 0.8756416 48.26530       1.213776  51.86106       1.818843  45.37831       1.629759  4.635712       1.751283  
1 1 1 4   3  51 o 23.13564 0.8435954 5.368158       0.3889402 4.780942       0.5426329 5.988589       0.5577683 -2.608122      1.687191  
1 1 1 4   3  52 o 25.70652 0.8248723 6.643538       0.4221892 5.897928       0.5951754 7.398696       0.5989742 -2.918577      1.649745  
1 1 1 4   3  53 o 63.48466 0.8504707 40.44474       1.079835  40.39090       1.528010  40.49846       1.526225  -0.8498001E-01 1.700941  
1 1 1 4   3  54 o 40.43423 0.7647199 16.38614       0.6182094 16.86557       0.8879778 15.93518       0.8611974 1.146877       1.529440  
1 1 1 4   3  55 o 36.76265 0.7791901 13.53293       0.5722853 14.40337       0.8290948 12.74080       0.7909213 2.255535       1.558380  
1 1 1 4   3  56 f 24.83944 0.9187528 6.194187       0.4546309 6.971801       0.6554810 5.473341       0.6311021 3.011730       1.837506  
1 1 1 4   3  57 o 29.49555 1.116684  9.196878       0.6101677 10.10388       0.7575721 7.521971       1.029476  4.441042       2.233368  
1 1 1 4   3  58 o 9.183420 2.307858  0.7200475      0.5156044 0.5747249      0.6406989 0.9871368      0.8685918 -1.937503      4.615716  
1 1 1 4   3  59 o 25.95212 1.301033  6.801915       0.6656492 6.738015       0.8692472 6.892518       1.035053  -0.2443981     2.602066  
1 1 1 4   4  0  o 229.1181 2.391359  523.6871       10.93019  546.4782       16.16286  504.4811       14.83731  9.153061       4.782718  
1 1 1 4   4  1  o 211.5771 2.209834  447.4252       9.342838  437.6468       12.89450  458.2323       13.55583  -4.859314      4.419668  
1 1 1 4   4  2  f 291.3181 3.031977  849.3536       17.66287  856.9715       25.23403  842.0359       24.73168  2.557739       6.063953  
1 1 1 4   4  3  o 425.2535 4.436109  1810.423       37.70638  1860.593       54.50209  1764.366       52.22079  11.27637       8.872218  
1 1 1 4   4  4  o 291.5170 3.034946  845.5394       17.60426  899.1290       26.55085  803.4980       23.51673  16.36826       6.069892  
1 1 1 4   4  5  o 225.9138 2.359701  510.4019       10.65656  502.8932       14.79946  518.4872       15.35733  -3.446564      4.719402  
1 1 1 4   4  6  o 122.2789 1.303203  147.6058       3.153118  162.4707       4.907742  137.1568       4.114710  10.34739       2.606406  
1 1 1 4   4  7  o 227.9223 2.380196  519.6879       10.84924  515.5355       15.23423  523.9614       15.45444  -1.846786      4.760393  
1 1 1 4   4  8  o 345.1494 3.593910  1188.766       24.74927  1143.015       33.62677  1242.840       36.55820  -14.43390      7.187819  
1 1 1 4   4  9  o 312.7927 3.256629  977.2899       20.34422  1010.278       29.73808  948.2690       27.89267  9.899139       6.513259  
1 1 1 4   4  10 o 325.2181 3.378433  1058.190       21.97206  1066.242       31.35418  1050.420       30.79960  2.429016       6.756866  
1 1 1 4   4  11 o 406.7277 4.228065  1654.488       34.37206  1620.732       47.60838  1691.241       49.67641  -8.651825      8.456130  
1 1 1 4   4  12 o 280.9642 2.932255  789.7039       16.47597  794.8469       23.46983  784.7067       23.13488  1.802704       5.864509  
1 1 1 4   4  13 o 515.0794 7.586192  2660.618       78.12216  2630.982       108.8046  2692.153       112.2382  -5.887207      15.17238  
1 1 1 4   4  14 o 453.2256 5.719468  2080.028       49.89466  1973.928       81.51848  2143.586       63.09335  -18.92297      11.43894  
1 1 1 4   4  15 o 293.3127 4.315795  858.6425       25.25117  895.8334       37.36250  827.3716       34.25998  11.64270       8.631591  
1 1 1 4   4  16 o 488.3222 7.169939  2384.652       69.82442  2295.244       94.57288  2491.792       103.5268  -19.97824      14.33988  
1 1 1 4   4  17 o 327.9163 4.823079  1075.498       31.58965  1047.595       43.36698  1107.039       46.10794  -9.029816      9.646158  
1 1 1 4   4  18 o 242.5979 3.586779  583.9767       17.26626  550.5922       22.78238  629.0294       26.46592  -16.12788      7.173559  
1 1 1 4   4  19 o 260.7252 2.722600  679.9332       14.19071  670.3185       19.72432  690.2498       20.43178  -3.815887      5.445200  
1 1 1 4   4  20 o 188.2161 1.975310  354.4046       7.435705  354.4043       10.51498  354.4049       10.51637  -0.1373291E-03 3.950620  
1 1 1 4   4  21 o 122.1937 1.311542  149.3150       3.204708  147.7471       4.483193  150.9532       4.582730  -1.311295      2.623084  
1 1 1 4   4  22 o 164.0331 1.730690  268.5766       5.666800  278.5425       8.330181  259.9919       7.731405  5.649139       3.461380  
1 1 1 4   4  23 o 99.38307 1.088143  98.61911       2.159823  101.8614       3.156599  95.76505       2.961618  3.065804       2.176287  
1 1 1 4   4  24 o 388.5757 4.040567  1514.601       31.39699  1528.443       44.84853  1501.297       43.96864  3.467987       8.081134  
1 1 1 4   4  25 o 113.8391 1.232531  129.5096       2.804054  132.7731       4.062708  126.5407       3.875009  2.735504       2.465061  
1 1 1 4   4  26 o 220.9323 2.311932  488.5486       10.21314  482.7106       14.25705  494.7025       14.63759  -2.707062      4.623863  
1 1 1 4   4  27 o 160.5820 1.699343  258.0385       5.457677  257.7942       7.715775  258.2833       7.720870  -0.1522217     3.398686  
1 1 1 4   4  28 o 72.69289 0.8493156 52.84582       1.234695  53.38303       1.759123  52.32420       1.733405  0.7280960      1.698631  
1 1 1 4   4  29 o 162.5147 1.719984  264.3246       5.590445  263.9479       7.897659  264.7029       7.914533  -0.2319794     3.439967  
1 1 1 4   4  30 o 152.7737 1.624084  233.0909       4.953520  225.8060       6.767799  241.4965       7.269778  -5.126434      3.248168  
1 1 1 4   4  31 o 270.8897 2.828902  734.5828       15.30522  714.7670       20.99556  757.0546       22.35835  -7.760162      5.657804  
1 1 1 4   4  32 o 147.0170 1.565828  216.3332       4.603835  215.1134       6.472000  217.5828       6.550318  -0.8381348     3.131657  
1 1 1 4   4  33 o 143.4768 1.533532  206.0068       4.399369  203.2639       6.137524  208.9054       6.309328  -1.961761      3.067064  
1 1 1 4   4  34 o 69.57917 0.8306026 48.41898       1.155627  48.97870       1.654028  47.88518       1.615269  0.7852173      1.661205  
1 1 1 4   4  35 o 35.66762 0.6316770 12.73094       0.4503080 12.53795       0.6458058 12.91357       0.6282215 -0.5268097     1.263354  
1 1 1 4   4  36 o 103.5085 1.401915  106.4730       2.711610  105.0071       3.281934  109.6259       4.813428  -2.172989      2.803829  
1 1 1 4   4  37 o 54.64251 1.000837  29.67136       1.088773  27.74408       1.457152  32.10737       1.638219  -3.986614      2.001674  
1 1 1 4   4  38 o 143.6643 2.177617  207.4048       6.256883  207.1543       8.831757  207.6572       8.865477  -0.1723633     4.355233  
1 1 1 4   4  39 o 144.2993 1.671494  209.0813       4.779805  207.9972       7.257069  209.9120       6.352264  -0.7304840     3.342988  
1 1 1 4   4  40 o 125.8424 1.366434  158.4115       3.432626  164.2308       5.043123  153.3881       4.685513  4.284683       2.732867  
1 1 1 4   4  41 o 123.7936 1.346553  153.6600       3.333759  154.3080       4.739524  153.0255       4.690158  0.5144806      2.693106  
1 1 1 4   4  42 o 64.03420 0.8738475 40.67636       1.097880  39.20126       1.409635  42.95081       1.750380  -2.910770      1.747695  
1 1 1 4   4  43 o 87.62759 1.004917  76.88591       1.760170  78.35133       2.540873  75.53381       2.440663  1.600777       2.009833  
1 1 1 4   4  44 f 51.64797 0.7276152 26.70080       0.7515574 26.38107       1.056691  27.02812       1.069143  -0.6257553     1.455230  
1 1 1 4   4  45 f 67.63802 1.206373  45.89144       1.631630  44.70115       2.287058  47.12521       2.328445  -1.787788      2.412746  
1 1 1 4   4  46 o 73.92856 1.285052  54.89577       1.899849  54.66107       2.702654  55.12504       2.671208  -0.3175735     2.570103  
1 1 1 4   4  47 o 58.04845 0.9550637 33.91651       1.053456  34.20745       1.303714  33.36918       1.788173  0.7697868      1.910127  
1 1 1 4   4  48 o 92.56694 1.066820  85.98080       1.974707  86.93447       2.824258  85.06866       2.762094  1.000305       2.133640  
1 1 1 4   4  49 o 59.85416 0.8069003 35.86805       0.9652292 36.93065       1.397884  34.89975       1.334407  1.690117       1.613801  
1 1 1 4   4  50 o 25.93809 0.7860273 6.735800       0.4074619 7.102262       0.5867903 6.394560       0.5662354 1.362024       1.572055  
1 1 1 4   4  51 o 47.83719 0.7581007 22.66173       0.7207058 25.56563       1.096396  20.45227       0.9563587 5.329224       1.516201  
1 1 1 4   4  52 o 30.58456 0.7562977 9.352268       0.4619489 8.724440       0.6359795 10.05345       0.6721051 -2.168524      1.512595  
1 1 1 4   4  53 o 26.62075 0.8297349 7.108306       0.4415523 7.037037       0.6137480 7.184773       0.6357305 -0.2743015     1.659470  
1 1 1 4   4  54 f 54.28920 0.8051228 29.55827       0.8740264 28.95093       1.222178  30.19400       1.250426  -1.140820      1.610246  
1 1 1 4   4  55 o 10.01063 1.728571  1.070353       0.3495935 1.357321       0.4854570 0.7612199      0.5038559 2.753586       3.457142  
1 1 1 4   4  56 o 25.44298 0.8999632 6.471378       0.4567711 6.003939       0.6201931 7.025508       0.6752577 -1.997128      1.799926  
1 1 1 4   4  57 o 25.80440 0.9091335 6.693720       0.4690207 6.465455       0.6615297 6.924439       0.6650754 -0.8886433     1.818267  
1 1 1 4   4  58 o 9.206820 1.913709  0.7295467      0.5001095 1.654547       0.6416757 -0.7017451     0.7981945 6.558733       3.827419  
1 1 1 4   4  59 o 57.91744 1.200193  33.88228       1.388072  33.94688       1.911590  33.81023       2.018858  0.1494484      2.400386  
1 1 1 4   5  0  o 391.0643 4.076138  1504.815       31.36878  1390.816       40.30295  1679.998       49.96128  -36.82736      8.152275  
1 1 1 4   5  1  o 224.3288 2.341840  498.9738       10.42408  538.5048       15.98367  469.7160       13.75077  15.31281       4.683681  
1 1 1 4   5  2  o 269.7221 2.811390  725.7521       15.12219  757.5688       22.42242  699.2059       20.48119  10.79913       5.622781  
1 1 1 4   5  3  o 370.1816 3.851300  1371.467       28.49375  1348.955       39.44104  1396.042       41.20963  -6.335602      7.702600  
1 1 1 4   5  4  f 138.6977 1.476155  192.3281       4.093348  189.4591       5.698742  195.3861       5.883410  -2.135712      2.952311  
1 1 1 4   5  5  o 322.5030 3.363203  1031.948       21.54055  1116.249       32.89199  968.6437       28.50311  22.83759       6.726406  
1 1 1 4   5  6  f 447.9934 4.674417  2000.163       41.69756  1907.872       55.91989  2115.741       62.57887  -23.11273      9.348835  
1 1 1 4   5  7  o 398.6852 4.164494  1588.406       33.16336  1647.715       48.42474  1536.020       45.51092  13.97873       8.328988  
1 1 1 4   5  8  o 265.9931 2.769701  707.7523       14.73286  701.9989       20.65573  713.7104       21.01987  -2.199371      5.539401  
1 1 1 4   5  9  o 327.6667 3.408117  1073.980       22.32827  1087.763       32.03184  1060.954       31.14090  4.085114       6.816234  
1 1 1 4   5  10 o 554.5168 5.759446  3043.439       63.20219  2844.210       82.55711  3325.530       98.23647  -43.23517      11.51889  
1 1 1 4   5  11 o 621.7305 10.47399  3931.008       115.0276  3795.283       221.0132  3981.430       134.7104  -16.60486      20.94798  
1 1 1 4   5  12 o 660.0762 9.732463  4101.054       121.2297  3604.563       145.4398  5231.266       219.4357  -121.8156      19.46493  
1 1 1 4   5  13 o 317.5406 4.676424  1009.167       29.68648  1022.171       42.71532  997.0172       41.28714  3.947540       9.352847  
1 1 1 4   5  14 o 601.0442 8.835650  3598.647       105.4360  3395.431       139.4238  3870.100       161.1408  -39.09467      17.67130  
1 1 1 4   5  15 o 246.3905 3.160975  607.5931       14.71868  607.8593       18.07009  607.0685       25.37187  0.2110138      6.321950  
1 1 1 4   5  16 o 163.1834 1.722484  264.0175       5.580552  284.9391       8.532251  248.3765       7.377311  11.19794       3.444968  
1 1 1 4   5  17 o 123.2240 1.318642  151.8325       3.249261  150.2657       4.547009  153.4675       4.644849  -1.298828      2.637285  
1 1 1 4   5  18 o 220.9716 3.268334  485.3986       14.35935  518.5033       21.76270  459.8740       19.10940  13.23897       6.536668  
1 1 1 4   5  19 o 181.1590 1.903757  328.2404       6.896473  324.8513       9.646719  331.7833       9.863053  -1.911743      3.807513  
1 1 1 4   5  20 o 362.6872 3.767800  1317.255       27.32287  1301.294       38.10285  1334.149       39.20131  -4.511780      7.535601  
1 1 1 4   5  21 f 327.6942 3.407363  1073.771       22.29931  1107.498       32.59839  1044.108       30.57112  9.638214       6.814725  
1 1 1 4   5  22 f 50.82179 0.6619452 25.52242       0.6680722 28.45569       1.021766  23.33201       0.8829551 5.040325       1.323890  
1 1 1 4   5  23 o 73.46521 0.8469833 53.29803       1.233353  49.19996       1.618200  58.97852       1.905175  -6.653648      1.693967  
1 1 1 4   5  24 o 114.1269 1.233417  130.2881       2.815236  130.8030       3.999929  129.7828       3.963017  0.4466248      2.466835  
1 1 1 4   5  25 o 96.08208 1.058556  92.31180       2.033696  91.04469       2.839294  93.64677       2.914334  -1.353462      2.117112  
1 1 1 4   5  26 o 92.63420 1.026675  85.74284       1.900539  87.90110       2.755867  83.78546       2.624480  2.220383       2.053349  
1 1 1 4   5  27 o 276.0427 2.879308  763.1315       15.88899  776.4363       22.88797  750.7551       22.07492  4.631409       5.758616  
1 1 1 4   5  28 o 181.4253 1.910702  329.4338       6.932445  327.0725       9.730570  331.8676       9.879030  -1.318848      3.821405  
1 1 1 4   5  29 o 230.9409 2.418125  534.2044       11.16827  537.0174       15.89313  531.4604       15.69732  1.198303       4.836251  
1 1 1 4   5  30 o 292.4529 3.050827  857.0992       17.83204  840.4802       24.67470  875.2679       25.79952  -5.909485      6.101653  
1 1 1 4   5  31 o 159.7634 1.694034  255.3776       5.410813  251.3804       7.527668  259.6502       7.782799  -2.582809      3.388067  
1 1 1 4   5  32 o 141.7692 1.516811  200.9212       4.296329  195.8112       5.916790  206.6205       6.248637  -3.804779      3.033622  
1 1 1 4   5  33 o 156.7972 1.666770  246.0240       5.224136  241.8371       7.248702  250.5491       7.535744  -2.770187      3.333539  
1 1 1 4   5  34 o 114.5357 1.247341  131.2519       2.856433  129.3349       3.980776  133.2866       4.101125  -1.722031      2.494682  
1 1 1 4   5  35 o 29.80448 0.6244630 8.886311       0.3720659 8.855206       0.5338219 8.915693       0.5188583 -0.1016979     1.248926  
1 1 1 4   5  36 f 23.44423 0.6585060 5.510650       0.3077548 5.000793       0.4354663 6.019406       0.4349962 -2.172426      1.317012  
1 1 1 4   5  37 o 74.20888 0.8799691 55.09724       1.305737  55.68986       1.870196  54.53363       1.823858  0.7776642      1.759938  
1 1 1 4   5  38 o 53.13235 0.7732278 28.36525       0.8182883 30.27905       1.134490  26.28991       1.181404  3.755398       1.546456  
1 1 1 4   5  39 o 156.2995 2.361749  246.0385       7.382790  245.8992       10.42913  246.1785       10.45259  -0.8685303E-01 4.723498  
1 1 1 4   5  40 o 69.66831 1.178323  48.62785       1.641752  48.33046       2.307699  48.93261       2.336137  -0.4304962     2.356647  
1 1 1 4   5  41 o 148.8578 1.956144  222.6886       5.487082  223.4683       9.518482  222.3006       6.715140  0.9983826E-01  3.912288  
1 1 1 4   5  42 o 69.27575 0.8471211 48.03982       1.173580  47.28472       1.646077  48.82043       1.673653  -1.107010      1.694242  
1 1 1 4   5  43 o 44.73829 0.8759807 20.11608       0.7218892 19.86413       1.302203  20.22786       0.8673663 -0.4326782     1.751961  
1 1 1 4   5  44 o 119.2864 1.864662  143.3370       4.448373  143.4313       6.322083  143.2445       6.260273  0.6968689E-01  3.729323  
1 1 1 4   5  45 o 61.35178 1.150847  37.76817       1.411471  37.47722       2.022876  38.04421       1.970401  -0.4672165     2.301695  
1 1 1 4   5  46 o 24.13936 0.7503774 5.814738       0.3615860 6.210793       0.5313672 5.473183       0.4934544 1.525036       1.500755  
1 1 1 4   5  47 o 23.10890 0.7791984 5.348047       0.3598816 5.397986       0.5196913 5.302033       0.4988474 0.2058945      1.558397  
1 1 1 4   5  48 o 73.63615 0.9059780 54.30984       1.333317  55.91605       1.930357  52.84441       1.843808  2.076561       1.811956  
1 1 1 4   5  49 o 9.565926 1.657158  0.9574302      0.3152256 0.8448157      0.4364043 1.080289       0.4558220 -1.159677      3.314317  
1 1 1 4   5  50 o 46.10873 0.7417930 21.12702       0.6810701 23.35217       1.022467  19.35229       0.9131362 4.326378       1.483586  
1 1 1 4   5  51 o 14.68211 1.145820  2.183828       0.3338703 2.394416       0.4609272 1.951375       0.4842646 1.512651       2.291641  
1 1 1 4   5  52 o 9.162125 1.657662  0.8585463      0.3284342 0.3842710      0.4572471 1.364046       0.4720591 -4.554565      3.315324  
1 1 1 4   5  53 o 62.17711 0.8402088 38.69119       1.043234  36.93456       1.427839  40.70280       1.527954  -3.015442      1.680418  
1 1 1 4   5  54 o 19.56632 1.011692  3.869136       0.3932750 4.335740       0.5524524 3.389743       0.5599734 2.418772       2.023385  
1 1 1 4   5  55 o 20.63087 0.9836984 4.272318       0.4055324 4.050006       0.5612506 4.515172       0.5866081 -1.122408      1.967397  
1 1 1 4   5  56 o 18.57429 1.092605  3.480929       0.4052394 3.617187       0.5651894 3.336769       0.5813419 0.7587223      2.185210  
1 1 1 4   5  57 o 29.64109 0.8915194 8.766322       0.5256827 9.428212       0.7947677 8.251543       0.7009032 1.966190       1.783039  
1 1 1 4   5  58 o 20.48600 1.419014  4.308337       0.5673477 4.528515       0.7380881 3.990370       0.8869753 1.364912       2.838027  
1 1 1 4   5  59 f 5.523275 2.648921  0.000000       0.000000  ?              ?         -1.153135      0.8393045 ?              ?         
1 1 1 4   6  0  o 171.3990 2.548331  293.9546       8.735562  295.4398       12.37830  292.4810       12.32974  0.8627472      5.096662  
1 1 1 4   6  1  f 89.95943 1.387289  79.07075       2.449819  90.53403       3.946832  71.88620       3.124593  10.36082       2.774577  
1 1 1 4   6  2  f 404.0793 5.371599  1643.123       43.24580  1512.593       62.06538  1766.295       60.29081  -31.42249      10.74320  
1 1 1 4   6  3  o 410.7319 5.144678  1713.060       41.17452  1583.894       64.69891  1800.982       53.37930  -26.59650      10.28936  
1 1 1 4   6  4  o 404.5987 4.199217  1639.101       33.97844  1630.682       47.78358  1647.714       48.32655  -2.098724      8.398434  
1 1 1 4   6  5  f 410.8080 4.644740  1676.775       37.36041  1627.439       47.83448  1753.945       59.82573  -15.26456      9.289480  
1 1 1 4   6  6  o 503.9591 5.233109  2543.711       52.74090  2528.465       74.01697  2559.437       75.17019  -3.060028      10.46622  
1 1 1 4   6  7  f 471.4549 4.907770  2224.720       46.25388  2198.263       64.27589  2253.136       66.61240  -5.797516      9.815539  
1 1 1 4   6  8  o 530.1261 6.622075  2856.526       68.49502  2618.235       106.9284  3022.342       89.19777  -38.32663      13.24415  
1 1 1 4   6  9  o 585.1443 8.589797  3435.931       100.4967  3393.119       140.1419  3481.254       144.1924  -7.467224      17.17959  
1 1 1 4   6  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   6  11 o 541.2381 7.067493  2820.419       67.74182  2695.116       78.37421  3190.545       134.6995  -45.00293      14.13499  
1 1 1 4   6  12 o 169.0773 1.923812  285.3280       6.417239  282.3309       8.390100  289.5530       9.961590  -2.129761      3.847625  
1 1 1 4   6  13 o 404.6921 4.201363  1635.211       33.92854  1699.450       50.02668  1580.495       46.16951  14.66379       8.402725  
1 1 1 4   6  14 o 294.0462 3.057112  864.1916       17.96176  885.9117       26.08668  844.6119       24.76812  7.013733       6.114224  
1 1 1 4   6  15 o 150.3516 1.591661  226.0960       4.786173  226.0579       6.766603  226.1340       6.770741  -0.2529907E-01 3.183321  
1 1 1 4   6  16 o 257.3965 2.681340  662.8972       13.80332  661.9897       19.49336  663.8098       19.54843  -0.3531494     5.362681  
1 1 1 4   6  17 o 562.6793 5.855324  3174.918       65.88612  3215.362       94.03665  3135.919       92.34059  7.028870       11.71065  
1 1 1 4   6  18 o 322.7510 4.749953  1043.391       30.64500  1025.565       42.52411  1062.650       44.20169  -5.717041      9.499906  
1 1 1 4   6  19 o 208.6826 2.187704  435.0048       9.116962  448.2256       13.33569  423.4033       12.49227  5.939804       4.375408  
1 1 1 4   6  20 o 207.3002 2.171576  429.6785       8.997298  421.6417       12.45455  438.4507       13.01195  -4.048523      4.343152  
1 1 1 4   6  21 o 163.2929 1.724783  266.6428       5.630679  270.9301       8.100162  262.6341       7.832545  2.537735       3.449566  
1 1 1 4   6  22 o 193.9219 2.035592  374.4883       7.861681  395.5619       11.78191  357.5747       10.55516  9.779083       4.071185  
1 1 1 4   6  23 o 104.5569 1.139021  109.3500       2.381843  109.1812       3.364059  109.5197       3.372827  -0.1618118     2.278042  
1 1 1 4   6  24 f 147.3058 1.564374  216.6743       4.601064  210.0466       6.291797  224.2927       6.745660  -4.829819      3.128748  
1 1 1 4   6  25 o 165.7593 1.750417  274.9423       5.802868  275.7760       8.233815  274.1195       8.179445  0.4989166      3.500835  
1 1 1 4   6  26 o 220.6747 2.309830  486.7089       10.17884  502.5589       14.89571  472.8241       13.94172  6.719101       4.619661  
1 1 1 4   6  27 o 95.13304 1.052652  90.33508       1.999626  87.30889       2.735718  93.80648       2.930071  -3.413155      2.105304  
1 1 1 4   6  28 o 252.0923 2.634467  636.4603       13.27819  627.4517       18.49516  646.0424       19.07463  -3.672485      5.268933  
1 1 1 4   6  29 o 84.72444 0.9584869 71.72517       1.622872  69.96014       2.241892  73.66827       2.352259  -2.187202      1.916974  
1 1 1 4   6  30 o 19.55810 0.7135743 3.806758       0.2762120 4.633634       0.4061607 3.095329       0.3767416 3.932413       1.427149  
1 1 1 4   6  31 o 30.71682 0.6274549 9.093221       0.3779817 11.99251       0.6001121 7.186686       0.4866413 7.821838       1.254910  
1 1 1 4   6  32 o 26.16982 0.6480007 6.831877       0.3386806 7.199981       0.4952547 6.508507       0.4641868 1.320812       1.296001  
1 1 1 4   6  33 f 137.9073 1.477455  189.8689       4.065704  197.8412       5.998254  183.0933       5.529817  5.334579       2.954909  
1 1 1 4   6  34 f 138.3566 1.483654  191.3899       4.100274  186.0664       5.630924  197.3985       5.982344  -4.083664      2.967307  
1 1 1 4   6  35 o 73.28333 0.8645995 53.25112       1.258979  57.86693       1.917660  49.75455       1.669048  5.529320       1.729199  
1 1 1 4   6  36 o 71.90267 0.8537731 51.56414       1.224793  54.08356       1.810118  49.43657       1.663406  3.227448       1.707546  
1 1 1 4   6  37 o 43.06087 0.6527355 18.32655       0.5584382 20.58713       0.8513449 16.61933       0.7398435 4.604664       1.305471  
1 1 1 4   6  38 o 31.40002 0.6289839 9.824807       0.3937728 8.800582       0.5399038 10.98880       0.5755629 -3.483452      1.257968  
1 1 1 4   6  39 o 63.91096 0.7937788 40.87761       1.014549  41.06105       1.444872  40.69920       1.424914  0.2823486      1.587558  
1 1 1 4   6  40 o 68.79934 0.8377010 47.38073       1.152649  47.05977       1.625483  47.70535       1.634740  -0.4687805     1.675402  
1 1 1 4   6  41 o 85.52823 1.954413  0.000000       0.000000  ?              ?         73.36932       3.343150  ?              ?         
1 1 1 4   6  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   6  43 o 31.32761 0.9542010 9.899718       0.5929567 11.21001       0.8314829 8.543796       0.8458360 4.256330       1.908402  
1 1 1 4   6  44 o 111.3733 1.232952  124.4433       2.745947  125.6075       3.924086  123.3263       3.843867  1.016235       2.465905  
1 1 1 4   6  45 o 65.16669 0.9034400 41.98309       1.146057  44.98018       1.874818  40.19497       1.448126  3.637589       1.806880  
1 1 1 4   6  46 o 64.27053 0.8214411 41.27835       1.053874  43.09469       1.549601  39.71527       1.437509  2.619625       1.642882  
1 1 1 4   6  47 o 72.85400 0.8924369 52.87687       1.294462  56.57007       1.946176  49.94669       1.733514  4.525070       1.784874  
1 1 1 4   6  48 o 77.87352 0.9364114 60.81014       1.458105  61.41773       2.088264  60.23212       2.036840  0.7554626      1.872823  
1 1 1 4   6  49 o 18.84391 0.8808498 3.519196       0.3299832 4.054550       0.4979208 3.099923       0.4406442 2.526306       1.761700  
1 1 1 4   6  50 o 65.61273 0.8514022 43.17061       1.117218  43.39210       1.587919  42.95350       1.572169  0.3323746      1.702804  
1 1 1 4   6  51 o 41.81519 0.7386048 17.50814       0.6173981 16.84522       0.8587185 18.21753       0.8882983 -1.637714      1.477210  
1 1 1 4   6  52 o 44.38479 0.7528675 19.71659       0.6677068 20.68404       0.9690644 18.84215       0.9213050 2.068954       1.505735  
1 1 1 4   6  53 o 51.55215 0.7847219 26.63691       0.8087373 27.39299       1.164602  25.93271       1.123936  1.410683       1.569444  
1 1 1 4   6  54 f 45.96666 0.7751221 21.19541       0.7125896 21.08454       1.005614  21.30722       1.009908  -0.2416000     1.550244  
1 1 1 4   6  55 o 30.98701 0.8303955 9.615898       0.5137141 8.851948       0.7090055 10.46020       0.7453601 -2.589016      1.660791  
1 1 1 4   6  56 o 31.38850 0.8275929 9.891244       0.5193558 10.26825       0.7418008 9.528759       0.7273717 1.175299       1.655186  
1 1 1 4   6  57 o 8.800880 2.041867  0.7172732      0.4401489 0.3022903      0.6227131 1.131594       0.6222163 -3.090377      4.083735  
1 1 1 4   6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   6  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   7  0  o 248.5237 2.589389  617.9016       12.86984  620.7449       18.30879  615.1243       18.09452  1.129395       5.178777  
1 1 1 4   7  1  o 434.5259 4.520947  1868.413       38.88354  1745.952       50.82171  2041.305       60.38614  -33.88235      9.041895  
1 1 1 4   7  2  o 410.6499 5.216173  1690.174       40.44111  1692.021       49.61117  1686.515       69.81825  0.9053955      10.43235  
1 1 1 4   7  3  f 409.3479 6.019182  1671.671       49.08301  1599.240       65.99725  1761.318       73.42271  -19.70233      12.03836  
1 1 1 4   7  4  o 608.1641 12.65062  0.000000       0.000000  ?              ?         3715.234       153.8730  ?              ?         
1 1 1 4   7  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   7  6  o 484.4781 10.05622  0.000000       0.000000  ?              ?         2353.324       97.44041  ?              ?         
1 1 1 4   7  7  o 160.1708 2.391790  255.6220       7.636727  268.4510       11.36512  245.0614       10.31152  7.296799       4.783579  
1 1 1 4   7  8  o 206.0174 4.306885  424.6410       17.74587  424.6410       17.74587  ?              ?         ?              ?         
1 1 1 4   7  9  f 173.5026 1.823799  301.0761       6.328521  299.7041       8.912365  302.4714       8.987874  -0.7972107     3.647597  
1 1 1 4   7  10 f 244.5763 2.551536  598.1104       12.47580  589.1180       17.34959  607.7388       17.95275  -3.803711      5.103072  
1 1 1 4   7  11 o 706.2076 7.369276  5001.564       104.0738  5089.568       148.4082  4916.408       145.9869  12.22412       14.73855  
1 1 1 4   7  12 o 324.2939 3.368908  1049.576       21.79984  1091.617       32.16182  1013.844       29.65035  11.97351       6.737816  
1 1 1 4   7  13 o 302.9174 3.153601  918.1254       19.10483  923.3474       27.16752  913.0167       26.87153  1.703064       6.307203  
1 1 1 4   7  14 o 265.4064 2.765552  698.2502       14.56241  754.7048       22.34669  656.5811       19.19864  18.46371       5.531104  
1 1 1 4   7  15 o 421.5028 4.377407  1778.468       36.88637  1807.027       53.08884  1751.813       51.28814  6.527802       8.754814  
1 1 1 4   7  16 o 217.0351 2.273929  470.4870       9.856388  484.9462       14.40535  457.7594       13.51526  6.256989       4.547859  
1 1 1 4   7  17 o 237.4908 2.478006  564.3179       11.76926  560.7676       16.52853  567.9695       16.76242  -1.514191      4.956012  
1 1 1 4   7  18 o 53.04979 0.9824701 26.85072       1.013097  33.86580       1.695425  22.95480       1.263476  10.28201       1.964940  
1 1 1 4   7  19 o 342.6180 3.560848  1175.781       24.39931  1170.037       34.32858  1181.646       34.68587  -1.688293      7.121696  
1 1 1 4   7  20 o 245.0892 2.558163  600.5336       12.52639  616.5987       18.22146  586.1384       17.24854  6.201050       5.116327  
1 1 1 4   7  21 o 173.8106 1.830679  302.0409       6.359724  308.3989       9.194007  296.2076       8.806519  3.502823       3.661358  
1 1 1 4   7  22 f 276.7438 2.883446  766.9077       15.95557  757.7543       22.27025  776.5616       22.87091  -3.385895      5.766893  
1 1 1 4   7  23 f 153.6463 1.628203  233.9728       4.963659  219.6154       6.544616  253.4152       7.615894  -10.98534      3.256405  
1 1 1 4   7  24 f 29.59982 0.5718495 8.746971       0.3381709 8.215849       0.4682496 9.325996       0.4889108 -1.875166      1.143699  
1 1 1 4   7  25 o 49.08653 0.6618507 22.67070       0.6269304 29.85575       1.073826  18.95518       0.7721989 11.10183       1.323701  
1 1 1 4   7  26 o 119.6136 1.289681  143.0070       3.083010  146.2835       4.463701  140.0181       4.263271  2.616753       2.579361  
1 1 1 4   7  27 o 75.75838 0.8782566 56.79104       1.320653  62.30109       2.024508  52.70941       1.742440  6.328110       1.756513  
1 1 1 4   7  28 o 181.3403 1.910696  329.1888       6.929629  328.2379       9.769176  330.1520       9.831067  -0.5265350     3.821392  
1 1 1 4   7  29 o 65.36364 0.7905830 42.62391       1.031900  40.85268       1.411938  44.65462       1.511831  -2.907421      1.581166  
1 1 1 4   7  30 f 121.5702 1.313722  147.2457       3.183098  140.7154       4.291884  155.2289       4.745357  -5.961754      2.627445  
1 1 1 4   7  31 f 46.90250 0.6679558 21.99442       0.6264498 21.42875       0.8768981 22.58402       0.8952549 -1.231384      1.335912  
1 1 1 4   7  32 o 60.50663 0.7588998 36.39266       0.9145856 39.08151       1.371491  34.23939       1.227323  3.999500       1.517800  
1 1 1 4   7  33 o 123.3025 1.334234  151.7599       3.282830  146.1614       4.465288  158.3453       4.842916  -4.930313      2.668469  
1 1 1 4   7  34 o 132.8411 1.428281  176.6666       3.793882  178.7225       5.432721  174.7097       5.300443  1.505844       2.856562  
1 1 1 4   7  35 o 45.49459 0.6629813 20.64194       0.6021989 21.79179       0.8839698 19.64618       0.8226124 2.356911       1.325963  
1 1 1 4   7  36 o 61.71532 0.7746949 37.90179       0.9528468 40.54461       1.422292  35.74980       1.283438  3.881008       1.549390  
1 1 1 4   7  37 o 101.4597 1.125373  103.0711       2.283378  103.8355       3.256291  102.3317       3.202743  0.7387848      2.250746  
1 1 1 4   7  38 o 11.73339 1.024554  1.372385       0.2398788 1.497231       0.3525746 1.264789       0.3273119 0.9893560      2.049109  
1 1 1 4   7  39 f 89.04765 1.255495  79.54525       2.097925  79.23854       3.664065  79.69484       2.558890  -0.3225632     2.510991  
1 1 1 4   7  40 o 15.59859 1.395059  2.366770       0.4234056 3.308461       0.6587076 1.703755       0.5527136 5.135954       2.790117  
1 1 1 4   7  41 o 67.53622 1.018014  46.50014       1.326006  49.08032       1.693944  42.41726       2.130874  4.958298       2.036027  
1 1 1 4   7  42 o 84.49272 0.9793443 71.52050       1.654908  70.94917       2.330733  72.10138       2.350173  -0.6805191     1.958689  
1 1 1 4   7  43 o 50.72726 0.8723486 24.85520       0.8190397 23.47408       0.9744554 28.17910       1.511714  -4.604149      1.744697  
1 1 1 4   7  44 o 49.12808 0.9750338 24.17948       0.9577875 24.93784       1.369208  23.45282       1.340287  1.509026       1.950068  
1 1 1 4   7  45 o 91.48235 1.348770  83.80457       2.409465  85.41853       3.865317  82.77888       3.081398  1.344299       2.697541  
1 1 1 4   7  46 o 23.46954 0.7549672 5.446592       0.3513555 6.560428       0.5285491 4.564669       0.4703166 4.247225       1.509934  
1 1 1 4   7  47 o 47.82027 0.7225255 22.87942       0.6901779 23.41342       1.005677  22.40400       0.9489125 1.050804       1.445051  
1 1 1 4   7  48 o 29.85327 0.7091063 8.871719       0.4220334 9.719395       0.6271650 8.170212       0.5705367 2.589647       1.418213  
1 1 1 4   7  49 o 98.68901 1.125370  97.86747       2.221186  97.78365       3.150604  97.95030       3.131943  -0.8726501E-01 2.250739  
1 1 1 4   7  50 o 22.94957 0.8093075 5.288524       0.3708543 4.978145       0.5272985 5.592326       0.5216812 -1.338758      1.618615  
1 1 1 4   7  51 o 66.73229 0.8568464 44.41354       1.138598  47.33660       1.709463  42.08279       1.526471  3.912918       1.713693  
1 1 1 4   7  52 o 11.04512 1.671752  1.323694       0.3611037 1.618979       0.4750850 0.9197070      0.5556924 3.248964       3.343504  
1 1 1 4   7  53 f 62.95852 0.8584409 39.71836       1.080020  38.05756       1.491614  41.54859       1.565848  -2.761208      1.716882  
1 1 1 4   7  54 o 21.37004 0.9640970 4.589070       0.4120190 4.649013       0.5874778 4.531045       0.5780033 0.2742577      1.928194  
1 1 1 4   7  55 o 46.26375 0.7881949 21.43013       0.7284241 20.39796       1.001263  22.59064       1.061685  -2.360004      1.576390  
1 1 1 4   7  56 o 17.84245 1.605532  3.571930       0.4918690 2.547593       0.8499663 4.087682       0.6031162 -4.610458      3.211065  
1 1 1 4   7  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   7  58 f 16.30372 1.637666  2.634519       0.5248825 2.328381       0.6709272 3.117459       0.8426818 -2.349838      3.275333  
1 1 1 4   7  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   8  0  o 291.5345 3.036062  848.2214       17.66678  818.9789       24.08418  882.2862       25.99421  -10.84674      6.072123  
1 1 1 4   8  1  o 188.3173 2.439673  350.7495       8.510851  365.2906       15.39854  344.3537       10.21249  5.535873       4.879345  
1 1 1 4   8  2  o 580.9850 8.537334  3344.445       98.07440  3117.531       127.7450  3670.195       153.0580  -47.16663      17.07467  
1 1 1 4   8  3  o 292.9898 4.319418  859.2573       25.31073  858.9557       35.85913  859.5567       35.73078  -0.1035767     8.638837  
1 1 1 4   8  4  o 302.7975 4.453907  917.8053       26.97263  917.3497       38.12858  918.2615       38.16157  -0.1502991     8.907814  
1 1 1 4   8  5  o 398.0774 8.260443  1587.502       65.76591  1587.502       65.76591  ?              ?         ?              ?         
1 1 1 4   8  6  o 202.5556 2.994654  410.4299       12.13029  414.0137       17.31246  406.9737       17.00142  1.736023       5.989307  
1 1 1 4   8  7  f 171.7568 2.550071  295.1094       8.759835  295.0426       12.39396  295.1761       12.38260  -0.3890991E-01 5.100142  
1 1 1 4   8  8  o 155.7577 2.322304  241.6314       7.207447  231.3269       9.705698  254.3000       10.76163  -7.369812      4.644609  
1 1 1 4   8  9  o 391.0145 4.915493  1548.497       37.12424  1461.004       60.05196  1602.619       47.23071  -18.23260      9.830987  
1 1 1 4   8  10 o 361.9810 4.045284  1314.846       29.20931  1248.363       42.14696  1376.289       40.51760  -17.68387      8.090568  
1 1 1 4   8  11 o 340.3812 3.542338  1159.469       24.11449  1155.649       33.98385  1163.343       34.22350  -1.128387      7.084676  
1 1 1 4   8  12 o 575.0553 5.973512  3314.808       68.70082  3309.671       96.84296  3320.011       97.47539  -0.8900146     11.94702  
1 1 1 4   8  13 o 334.9988 3.480034  1119.070       23.24119  1173.093       34.56347  1074.483       31.39984  14.68918       6.960068  
1 1 1 4   8  14 o 463.7509 4.819166  2151.465       44.64351  2093.134       61.34418  2217.143       65.09340  -13.31854      9.638331  
1 1 1 4   8  15 o 79.43266 0.9015697 61.93640       1.412130  69.92407       2.234687  56.62647       1.822013  8.369179       1.803139  
1 1 1 4   8  16 o 63.19829 0.8285291 39.41477       1.023730  37.57970       1.302668  42.37846       1.655479  -3.795547      1.657058  
1 1 1 4   8  17 o 131.5257 1.405644  171.5892       3.671998  161.5893       4.862326  184.8622       5.601815  -8.843002      2.811288  
1 1 1 4   8  18 o 459.9561 4.783784  2117.419       43.91930  2191.976       64.57449  2053.243       59.91000  14.97617       9.567568  
1 1 1 4   8  19 o 170.7603 1.800919  291.6313       6.148697  295.6559       8.824563  287.8336       8.572076  2.288025       3.601837  
1 1 1 4   8  20 o 111.4571 1.209515  123.7794       2.687962  130.1374       3.993572  118.5134       3.634458  5.211990       2.419029  
1 1 1 4   8  21 o 277.9265 2.897226  773.6984       16.10432  773.7555       22.77496  773.6412       22.77493  0.2053833E-01  5.794452  
1 1 1 4   8  22 o 72.48198 0.8435171 52.51553       1.222359  51.49424       1.701120  53.60578       1.757619  -1.456223      1.687034  
1 1 1 4   8  23 o 57.00399 0.7131336 32.48368       0.8127703 31.94839       1.132194  33.05284       1.167480  -0.9685478     1.426267  
1 1 1 4   8  24 o 188.0271 1.977050  352.9883       7.419248  366.5623       10.92276  341.3609       10.10921  6.688873       3.954100  
1 1 1 4   8  25 o 78.93645 0.9032910 62.19488       1.423766  64.47237       2.085928  60.20834       1.948145  2.699844       1.806582  
1 1 1 4   8  26 o 193.8290 2.036804  376.0887       7.895545  377.7383       11.22329  374.4723       11.10955  0.8403625      4.073608  
1 1 1 4   8  27 o 184.7082 1.944671  341.0780       7.175886  332.3882       9.871907  350.8136       10.44914  -4.976410      3.889342  
1 1 1 4   8  28 o 206.5443 2.168656  427.1693       8.957529  423.4449       12.55841  431.0263       12.78022  -1.830017      4.337313  
1 1 1 4   8  29 o 72.19138 0.8547518 51.96458       1.231476  49.74398       1.676095  54.56954       1.815371  -3.340775      1.709504  
1 1 1 4   8  30 o 229.3122 2.402296  526.8980       11.01488  520.4887       15.37678  533.6531       15.78605  -2.856537      4.804593  
1 1 1 4   8  31 o 53.96367 0.7122156 28.71617       0.7625301 25.95049       1.003895  32.48794       1.172360  -6.055344      1.424431  
1 1 1 4   8  32 f 102.8345 1.135063  105.7745       2.333582  107.4463       3.356102  104.2097       3.246970  1.571365       2.270125  
1 1 1 4   8  33 o 181.7539 1.920261  330.4496       6.968196  342.0841       10.22111  320.3465       9.524735  5.949646       3.840522  
1 1 1 4   8  34 o 33.42701 0.6198384 11.09313       0.4128260 12.36369       0.6148183 10.04998       0.5570896 3.459885       1.239677  
1 1 1 4   8  35 o 84.45238 0.9671172 71.24194       1.631042  73.84337       2.387203  68.96426       2.233723  2.883888       1.934234  
1 1 1 4   8  36 o 123.8888 1.341919  153.7583       3.324966  153.4323       4.696661  154.0858       4.707784  -0.2631836     2.683838  
1 1 1 4   8  37 o 25.41622 0.9017024 6.875127       0.4065435 5.548429       0.7377030 7.453796       0.4872033 -3.757555      1.803405  
1 1 1 4   8  38 o 57.83775 1.092922  32.71942       1.248112  28.64025       1.615980  38.75057       1.964944  -8.722504      2.185843  
1 1 1 4   8  39 o 108.1385 1.471831  116.8761       2.982374  116.0789       3.625105  118.5456       5.246265  -1.019386      2.943661  
1 1 1 4   8  40 o 89.84607 1.024656  80.45334       1.834059  85.24545       2.743563  76.58160       2.466074  4.805809       2.049312  
1 1 1 4   8  41 f 19.74366 0.7592759 3.907960       0.2993693 3.732644       0.4283307 4.075387       0.4185820 -0.8684502     1.518552  
1 1 1 4   8  42 o 48.89255 0.7037991 23.93021       0.6881232 23.79157       0.9793136 24.06542       0.9671075 -0.2806587     1.407598  
1 1 1 4   8  43 o 73.44804 0.8877930 54.02797       1.303866  54.60907       1.866548  53.47421       1.822143  0.7694778      1.775586  
1 1 1 4   8  44 o 67.44656 0.8442686 45.41546       1.136649  43.13352       1.549543  48.07364       1.672408  -3.653236      1.688537  
1 1 1 4   8  45 o 45.44776 0.7808787 20.72827       0.7046490 21.01627       0.9451302 20.36783       1.057331  0.7221718      1.561757  
1 1 1 4   8  46 o 34.77969 0.9093989 12.04897       0.6303308 13.51558       0.9320024 10.81262       0.8557196 3.878429       1.818798  
1 1 1 4   8  47 o 16.38381 1.172125  2.699314       0.3820352 3.067567       0.5472988 2.349365       0.5335233 2.189908       2.344249  
1 1 1 4   8  48 o 51.20683 0.7515772 26.24001       0.7690880 24.85145       1.067242  27.74014       1.109286  -2.816498      1.503154  
1 1 1 4   8  49 o 34.24702 0.7196618 11.75391       0.4921505 10.90262       0.6904209 12.63331       0.7017288 -2.525661      1.439324  
1 1 1 4   8  50 o 70.68391 0.8906311 50.05604       1.258140  48.25160       1.739387  52.03605       1.822048  -2.666260      1.781262  
1 1 1 4   8  51 o 61.47849 0.8301209 37.91115       1.020583  37.14465       1.437609  38.68996       1.449103  -1.255272      1.660242  
1 1 1 4   8  52 o 58.01945 0.8155656 33.70414       0.9453629 31.83827       1.304652  35.76690       1.371762  -3.375973      1.631131  
1 1 1 4   8  53 o 11.22741 1.498772  1.288478       0.3289711 1.498954       0.4857194 1.110108       0.4471419 1.908337       2.997543  
1 1 1 4   8  54 o 63.48588 0.9336263 40.25967       1.168521  39.12409       1.519338  41.90405       1.828298  -2.132309      1.867253  
1 1 1 4   8  55 o 29.14135 1.677510  0.000000       0.000000  ?              ?         8.566122       0.9776981 ?              ?         
1 1 1 4   8  56 o 21.86923 1.315735  4.928041       0.5639692 5.556689       0.7608052 4.161258       0.8402444 3.213270       2.631469  
1 1 1 4   8  57 o 30.94563 1.116070  9.592651       0.6873257 9.031243       0.9182435 10.30800       1.036519  -2.030563      2.232141  
1 1 1 4   8  58 o 23.69248 1.626532  5.501033       0.7315356 6.397871       1.288941  5.074885       0.8884969 2.633261       3.253063  
1 1 1 4   9  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   9  1  o 303.7408 6.323575  923.5739       38.41455  923.5739       38.41455  ?              ?         ?              ?         
1 1 1 4   9  2  o 80.68250 0.9035149 64.53275       1.448479  60.43988       1.920539  69.93223       2.205897  -5.882034      1.807030  
1 1 1 4   9  3  o 299.1030 3.115579  894.7217       18.62885  906.8399       26.82848  883.4391       25.88707  3.906128       6.231158  
1 1 1 4   9  4  o 535.2792 5.553543  2870.124       59.45385  2872.083       84.03281  2868.160       84.12816  0.3674927      11.10709  
1 1 1 4   9  5  o 175.4439 1.844570  307.6291       6.468065  313.9793       9.353198  301.8089       8.954287  3.467010       3.689139  
1 1 1 4   9  6  o 163.2128 1.720885  266.0259       5.610150  273.9679       8.186709  258.9942       7.703244  4.585526       3.441769  
1 1 1 4   9  7  o 293.6823 3.055052  860.5387       17.90100  830.4003       24.32687  896.1299       26.43614  -11.17761      6.110104  
1 1 1 4   9  8  f 416.4509 4.325407  1736.224       36.02634  1732.507       50.93939  1739.945       50.95848  -0.8927612     8.650813  
1 1 1 4   9  9  o 459.4196 5.890943  2083.604       49.86225  2035.806       59.51034  2196.220       91.34599  -17.05179      11.78189  
1 1 1 4   9  10 o 445.6964 6.553235  1992.154       58.41483  1999.535       82.72595  1984.814       82.49661  1.647919       13.10647  
1 1 1 4   9  11 f 123.3445 1.860895  152.1423       4.589786  153.8963       6.566944  150.4672       6.417510  1.389320       3.721791  
1 1 1 4   9  12 o 337.5914 4.961167  1137.495       33.38524  1193.345       49.69674  1091.561       45.06944  15.01117       9.922335  
1 1 1 4   9  13 o 383.2914 4.859869  1477.994       35.38217  1453.123       60.09960  1491.187       43.77177  -5.202637      9.719738  
1 1 1 4   9  14 o 277.1798 2.885587  768.3718       15.98709  754.5197       22.15892  783.4100       23.08801  -5.202454      5.771173  
1 1 1 4   9  15 o 381.3514 3.961927  1454.347       30.17530  1499.900       44.09464  1414.225       41.38295  11.19214       7.923853  
1 1 1 4   9  16 o 248.7538 2.596105  619.0945       12.91216  627.2253       18.52560  611.4129       18.00655  3.172501       5.192209  
1 1 1 4   9  17 f 106.7890 1.657094  113.7479       3.531716  109.2283       4.808661  119.0409       5.203924  -4.591187      3.314188  
1 1 1 4   9  18 f 225.5819 2.359734  508.5322       10.63228  523.6394       15.51888  495.1682       14.59613  6.298874       4.719468  
1 1 1 4   9  19 o 18.85695 0.6308504 3.545393       0.2374204 3.884078       0.3455585 3.242563       0.3267563 1.700933       1.261701  
1 1 1 4   9  20 o 151.6869 1.609980  228.4675       4.853549  215.7099       6.445329  245.1772       7.376415  -9.702652      3.219959  
1 1 1 4   9  21 o 197.4551 2.073735  389.5722       8.177435  402.4165       11.95871  378.2917       11.20713  6.096588       4.147471  
1 1 1 4   9  22 o 85.26479 0.9591468 72.56523       1.632825  75.17217       2.394787  70.30045       2.232112  2.855583       1.918294  
1 1 1 4   9  23 o 239.2134 2.500203  573.0106       11.96141  570.9537       16.85388  575.0980       16.97880  -0.8637848     5.000406  
1 1 1 4   9  24 o 172.6502 1.821957  298.3055       6.290908  299.8955       8.950320  296.7529       8.844007  0.9084473      3.643914  
1 1 1 4   9  25 o 60.94253 0.7563904 36.38125       0.9096532 41.85302       1.436550  32.71867       1.175306  7.492416       1.512781  
1 1 1 4   9  26 o 178.1958 1.878897  317.7286       6.693942  322.3414       9.617897  313.3951       9.322348  2.504715       3.757794  
1 1 1 4   9  27 f 117.3649 1.272175  137.0654       2.972863  145.4338       4.464465  130.3985       3.984825  6.398758       2.544350  
1 1 1 4   9  28 o 38.87722 0.6311434 14.81148       0.4857442 12.63705       0.6376638 17.81762       0.7497627 -6.661896      1.262287  
1 1 1 4   9  29 f 71.53418 0.8479120 51.15757       1.212676  50.16136       1.688088  52.21990       1.743204  -1.438225      1.695824  
1 1 1 4   9  30 o 115.8978 1.262286  134.0667       2.919569  139.5209       4.302345  129.4112       3.974860  4.354958       2.524572  
1 1 1 4   9  31 o 155.9454 1.657834  243.5239       5.170619  243.7592       7.321693  243.2897       7.303062  0.1500092      3.315668  
1 1 1 4   9  32 o 120.1686 1.302902  143.7481       3.116979  152.6719       4.685332  136.6629       4.174848  6.646515       2.605803  
1 1 1 4   9  33 o 61.29681 0.7659474 37.55579       0.9383988 38.46715       1.356921  36.72036       1.299156  1.423752       1.531895  
1 1 1 4   9  34 o 93.64806 1.049746  87.77532       1.966024  87.02263       2.762512  88.54779       2.798593  -0.8131485     2.099492  
1 1 1 4   9  35 f 46.53612 0.9920576 21.04781       0.9071729 25.14327       1.459110  18.46718       1.158244  7.162846       1.984115  
1 1 1 4   9  36 o 66.48602 1.171250  44.03430       1.550347  46.67928       2.329381  41.93090       2.077258  3.559036       2.342500  
1 1 1 4   9  37 o 109.0924 1.304748  118.0853       2.783206  113.8892       3.549910  124.7794       4.483737  -4.936188      2.609497  
1 1 1 4   9  38 o 82.93320 0.9603925 68.53230       1.587644  64.98399       2.141300  72.86444       2.366016  -4.740425      1.920785  
1 1 1 4   9  39 o 26.98882 0.8026874 7.405585       0.4263791 6.383355       0.6321067 8.259006       0.5775604 -3.477196      1.605375  
1 1 1 4   9  40 o 20.19574 0.7466772 4.062640       0.3008393 4.385631       0.4447230 3.790141       0.4084854 1.472706       1.493354  
1 1 1 4   9  41 o 52.58899 0.7280999 26.62268       0.7481136 32.83953       1.229779  22.97045       0.9425848 9.368626       1.456200  
1 1 1 4   9  42 o 33.04234 0.6608222 10.92458       0.4365307 11.03343       0.6274673 10.82248       0.6077024 0.3182755      1.321644  
1 1 1 4   9  43 o 49.50350 0.7187731 24.34010       0.7087672 22.19279       0.9531252 26.99636       1.060080  -4.845348      1.437546  
1 1 1 4   9  44 f 31.56795 0.6766831 9.987173       0.4268108 9.611947       0.6088690 10.34969       0.5984684 -1.169155      1.353366  
1 1 1 4   9  45 o 49.90517 0.8066269 24.72252       0.7840795 25.94945       1.275243  23.97678       0.9942094 1.952793       1.613254  
1 1 1 4   9  46 f 30.20323 0.7008803 9.141786       0.4226880 9.040406       0.6136936 9.233288       0.5830270 -0.3217182     1.401761  
1 1 1 4   9  47 o 43.74851 0.7136125 19.10422       0.6231489 20.30232       0.9171870 18.07701       0.8492591 2.537285       1.427225  
1 1 1 4   9  48 f 43.70709 0.9500471 19.09917       0.8289614 17.89218       1.133016  20.48952       1.216039  -2.960670      1.900094  
1 1 1 4   9  49 o 54.69696 1.047823  30.04890       1.146242  29.85682       1.617726  30.24255       1.624358  -0.3516197     2.095646  
1 1 1 4   9  50 f 35.42933 0.7308000 12.55976       0.5156401 11.03077       0.7134600 14.23179       0.7460841 -4.513947      1.461600  
1 1 1 4   9  51 o 37.35841 0.7294726 13.92983       0.5430189 14.68938       0.8108867 13.31227       0.7311739 1.833195       1.458945  
1 1 1 4   9  52 o 7.299837 1.746980  0.4947000      0.3033488 0.5975762      0.4531344 0.4111530      0.4083519 0.9912152      3.493959  
1 1 1 4   9  53 o 63.74648 1.053296  40.85958       1.255877  40.92385       2.209219  40.82890       1.526525  -0.5881882E-01 2.106592  
1 1 1 4   9  54 o 20.63716 2.068132  0.000000       0.000000  ?              ?         4.310697       0.8536075 ?              ?         
1 1 1 4   9  55 o 80.36014 1.244462  65.48329       1.975463  63.33752       3.012769  67.10163       2.616423  -2.451363      2.488925  
1 1 1 4   9  56 o 11.58667 2.306315  1.478159       0.5335016 1.616624       0.6254317 1.108249       1.022251  1.530466       4.612629  
1 1 1 4   9  57 o 27.51993 1.156014  7.709050       0.6301819 8.258744       0.8550410 7.055391       0.9323992 2.208748       2.312028  
1 1 1 4   9  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   10 0  f 214.9797 2.249288  461.7332       9.660477  473.6970       14.05836  451.0297       13.29734  5.268539       4.498577  
1 1 1 4   10 1  o 529.7969 5.511109  2800.403       58.20261  2681.990       78.57375  2944.367       86.63766  -24.67365      11.02222  
1 1 1 4   10 2  o 657.1996 6.826537  4224.344       87.75825  3858.877       111.1431  4829.479       143.0159  -73.40820      13.65307  
1 1 1 4   10 3  o 307.3470 3.195024  945.1467       19.63910  948.5010       27.89426  941.8497       27.65504  1.080536       6.390048  
1 1 1 4   10 4  o 478.2521 4.963510  2287.608       47.42646  2351.186       68.99289  2230.652       65.30152  12.56396       9.927020  
1 1 1 4   10 5  o 223.3961 2.333847  498.8103       10.42023  509.6939       15.07612  488.8553       14.41872  4.660828       4.667694  
1 1 1 4   10 6  o 254.5167 2.654001  647.3859       13.49738  663.2950       19.59577  633.0245       18.61809  5.940964       5.308003  
1 1 1 4   10 7  o 492.8692 5.118925  2432.233       50.44153  2474.518       72.50642  2392.574       70.21877  8.285767       10.23785  
1 1 1 4   10 8  o 186.7104 1.960436  347.8822       7.306349  336.4175       9.965870  361.2055       10.74335  -6.634338      3.920871  
1 1 1 4   10 9  o 263.9159 2.748838  696.3668       14.49961  710.9929       20.96751  682.9622       20.07282  5.304077       5.497675  
1 1 1 4   10 10 o 471.1315 4.886282  2223.656       46.03776  2208.852       64.61032  2238.923       65.61575  -3.177551      9.772565  
1 1 1 4   10 11 f 381.1107 3.956251  1454.247       30.15252  1443.711       42.29498  1465.137       42.99790  -2.802582      7.912502  
1 1 1 4   10 12 o 412.8145 5.225305  1720.637       41.20901  1750.566       51.43266  1666.974       68.86922  10.42322       10.45061  
1 1 1 4   10 13 o 274.0690 4.037006  750.0537       22.06890  783.2468       32.67405  722.2076       29.92686  11.09476       8.074013  
1 1 1 4   10 14 o 255.8430 3.771313  654.7654       19.27477  638.5385       26.50492  672.9788       28.08053  -6.706161      7.542626  
1 1 1 4   10 15 o 222.6749 3.291185  493.6307       14.58304  524.3563       21.98514  469.4908       19.48713  12.28162       6.582370  
1 1 1 4   10 16 o 104.3707 1.870321  107.0773       3.313259  112.6085       6.910957  105.4266       3.775428  3.411568       3.740642  
1 1 1 4   10 17 o 427.5966 4.449699  1831.269       37.99869  1885.561       55.53876  1783.489       52.10225  11.84924       8.899399  
1 1 1 4   10 18 o 160.9433 1.704975  259.1632       5.488083  259.1098       7.757467  259.2168       7.765182  -0.3315735E-01 3.409950  
1 1 1 4   10 19 o 78.61400 0.8985817 60.37143       1.387922  69.40852       2.229789  54.65557       1.773332  9.380165       1.797163  
1 1 1 4   10 20 f 250.2856 2.614170  626.2761       13.06582  646.8292       19.12037  608.2708       17.89605  7.677170       5.228339  
1 1 1 4   10 21 o 326.6425 3.401092  1069.643       22.21767  1075.803       31.61423  1063.631       31.23034  1.852936       6.802184  
1 1 1 4   10 22 o 107.6065 1.176321  113.6701       2.494412  104.0950       3.213436  128.1868       3.956671  -11.18748      2.352643  
1 1 1 4   10 23 o 148.9835 1.584312  221.8974       4.717164  227.0036       6.832086  217.2457       6.520941  3.270554       3.168624  
1 1 1 4   10 24 o 123.9715 1.336553  153.2616       3.304985  160.2784       4.893923  147.3784       4.481208  5.197739       2.673106  
1 1 1 4   10 25 o 137.6202 1.472587  189.4908       4.052835  190.8625       5.775148  188.1597       5.688973  0.9807129      2.945173  
1 1 1 4   10 26 o 282.4446 2.947875  799.7350       16.64988  792.3218       23.31289  807.4530       23.78724  -2.663483      5.895751  
1 1 1 4   10 27 o 297.7511 3.106900  889.2833       18.50000  882.8814       25.95621  895.8931       26.37473  -2.169861      6.213801  
1 1 1 4   10 28 o 84.18649 0.9591960 70.84736       1.614263  69.31665       2.241205  72.49756       2.327038  -1.888115      1.918392  
1 1 1 4   10 29 o 35.11971 0.6307575 12.17558       0.4401476 14.00389       0.6681696 10.77403       0.5850119 4.597549       1.261515  
1 1 1 4   10 30 o 71.35250 0.8501304 50.89533       1.212390  51.83281       1.752351  50.03455       1.679146  1.259048       1.700261  
1 1 1 4   10 31 o 104.8573 1.156073  109.4737       2.414194  115.9427       3.619520  104.2894       3.240251  5.547440       2.312147  
1 1 1 4   10 32 o 85.95815 1.208957  74.16953       1.955193  73.34871       3.391483  74.57814       2.392855  -0.7440109     2.417913  
1 1 1 4   10 33 o 135.9316 2.080306  183.6383       5.611712  171.9041       7.402426  199.4946       8.604956  -10.07483      4.160613  
1 1 1 4   10 34 o 30.63030 0.9680249 9.325140       0.5895302 9.970945       0.8936128 8.827472       0.7844551 1.863029       1.936050  
1 1 1 4   10 35 o 89.94829 1.020262  80.53905       1.827756  76.28075       2.452839  85.85560       2.740730  -5.311272      2.040524  
1 1 1 4   10 36 f 79.21155 0.9246733 62.12808       1.453932  57.54033       1.918639  68.31603       2.228268  -6.789055      1.849347  
1 1 1 4   10 37 o 85.60742 0.9826381 73.29154       1.680744  75.31470       2.443448  71.47461       2.315566  2.236832       1.965276  
1 1 1 4   10 38 o 79.23643 1.291693  62.61222       2.038957  59.45212       2.740644  66.52947       3.051360  -4.444740      2.583386  
1 1 1 4   10 39 o 68.30499 0.8355437 46.68622       1.140932  47.38920       1.642638  46.03097       1.585900  0.9915619      1.671087  
1 1 1 4   10 40 o 54.32833 0.7350519 29.26805       0.7946165 26.79965       1.060689  32.42533       1.199604  -5.170727      1.470104  
1 1 1 4   10 41 o 47.44022 0.7000439 22.49390       0.6637039 21.58074       0.9178188 23.49479       0.9609006 -2.015209      1.400088  
1 1 1 4   10 42 f 94.74887 1.075408  89.35581       2.027235  83.99186       2.704451  96.23522       3.062750  -6.430031      2.150815  
1 1 1 4   10 43 f 70.60561 0.8655377 49.78470       1.219937  47.39802       1.663964  52.55854       1.793853  -3.644524      1.731075  
1 1 1 4   10 44 o 34.31031 0.6804122 11.77317       0.4662073 10.89737       0.6480002 12.71295       0.6712475 -2.644203      1.360824  
1 1 1 4   10 45 o 46.52224 1.094882  21.62885       1.015362  19.31469       1.390705  24.27065       1.485895  -5.315231      2.189765  
1 1 1 4   10 46 o 37.89954 0.6942585 14.34622       0.5249121 14.93519       0.7758921 13.84915       0.7127911 1.427574       1.388517  
1 1 1 4   10 47 o 25.92797 0.7369248 6.651570       0.3793951 7.861741       0.5713899 5.697330       0.5073858 4.167730       1.473850  
1 1 1 4   10 48 o 26.05493 0.7452152 6.823757       0.3869741 6.225842       0.5509297 7.406019       0.5436707 -2.265524      1.490430  
1 1 1 4   10 49 o 29.42918 0.7440336 8.689406       0.4371869 8.509233       0.6331265 8.853613       0.6044232 -0.5882168     1.488067  
1 1 1 4   10 50 o 15.98559 1.241852  2.560377       0.3960486 2.371954       0.5384386 2.782492       0.5845994 -1.274966      2.483704  
1 1 1 4   10 51 o 38.04012 0.9583198 14.51650       0.7284440 13.70451       1.010978  15.39324       1.050510  -2.212997      1.916640  
1 1 1 4   10 52 o 39.39716 1.441645  16.24347       1.057312  14.05434       1.799283  17.39811       1.306727  -4.367104      2.883291  
1 1 1 4   10 53 o 9.140810 1.788006  0.8930554      0.3431666 0.6609195      0.5289614 1.061765       0.4509436 -1.788404      3.576011  
1 1 1 4   10 54 o 38.55664 0.9812348 14.94522       0.7564278 14.46450       1.056540  15.45075       1.083470  -1.273262      1.962470  
1 1 1 4   10 55 o 29.29253 1.012179  8.600957       0.5914739 9.112594       0.8755282 8.171419       0.8022129 1.590084       2.024358  
1 1 1 4   10 56 o 40.62564 1.008385  16.56900       0.8180624 15.67198       1.120283  17.59376       1.197392  -2.346474      2.016771  
1 1 1 4   10 57 o 9.070225 1.995462  0.8166310      0.4236887 0.4127847      0.6094468 1.194381       0.5894271 -3.047578      3.990924  
1 1 1 4   11 0  o 423.1858 4.392301  1791.199       37.14130  1752.564       51.23841  1833.977       53.91525  -9.592834      8.784602  
1 1 1 4   11 1  f 285.8674 2.980213  815.4653       16.99950  848.5566       25.08159  787.3478       23.11989  10.69260       5.960426  
1 1 1 4   11 2  o 112.9750 1.223012  127.4870       2.760774  131.1365       4.011335  124.2025       3.805446  3.068260       2.446024  
1 1 1 4   11 3  o 175.7015 1.848493  307.6919       6.476395  322.3161       9.612733  295.5362       8.764005  7.617126       3.696986  
1 1 1 4   11 4  o 407.8324 4.232146  1665.327       34.51972  1668.509       48.95460  1662.180       48.68304  0.7730103      8.464292  
1 1 1 4   11 5  o 287.7810 2.995074  828.7090       17.23837  827.0484       24.32092  830.3856       24.43696  -0.5789185     5.990148  
1 1 1 4   11 6  o 104.2483 1.135457  108.5986       2.365869  111.0579       3.420562  106.3429       3.275818  2.261009       2.270914  
1 1 1 4   11 7  o 110.6150 1.198005  121.0114       2.626815  112.8476       3.449548  132.2795       4.052660  -8.781540      2.396010  
1 1 1 4   11 8  o 418.8402 4.356401  1747.341       36.30375  1848.717       54.74286  1667.756       48.50394  21.52191       8.712803  
1 1 1 4   11 9  o 192.8723 2.024671  370.5224       7.781184  354.5933       10.47909  390.0996       11.61722  -9.197281      4.049343  
1 1 1 4   11 10 o 423.2021 4.396287  1791.273       37.15574  1848.910       54.33693  1740.655       50.92151  12.73831       8.792575  
1 1 1 4   11 11 o 397.4399 4.126861  1581.723       32.79057  1607.159       47.17423  1557.945       45.61102  6.167114       8.253721  
1 1 1 4   11 12 o 287.9618 2.998383  829.5475       17.25834  845.3914       24.91949  814.9432       23.92485  5.274445       5.996766  
1 1 1 4   11 13 o 125.8936 1.350331  158.5288       3.399951  158.2365       4.801762  158.8226       4.814779  -0.2326813     2.700662  
1 1 1 4   11 14 o 444.2112 4.623249  1964.747       40.80036  2100.070       62.10551  1861.998       54.11675  26.61151       9.246498  
1 1 1 4   11 15 o 137.0832 1.467219  187.8456       4.020409  184.1283       5.575065  191.8732       5.803230  -2.823059      2.934438  
1 1 1 4   11 16 o 86.36403 1.210516  69.46125       1.820869  64.69919       2.077856  85.21994       3.779879  -11.86797      2.421033  
1 1 1 4   11 17 o 330.9922 4.878600  1100.625       32.29547  1101.979       45.73746  1099.279       45.60820  0.4035339      9.757199  
1 1 1 4   11 18 o 62.04424 1.042363  37.34477       1.266224  44.18339       2.063619  33.21532       1.603583  8.835197       2.084725  
1 1 1 4   11 19 o 211.6663 3.135032  448.5664       13.25977  459.5063       19.24424  438.6781       18.29598  4.896057       6.270063  
1 1 1 4   11 20 f 254.9914 3.252408  653.9059       15.73192  644.7791       26.81580  658.6957       19.42622  -2.913391      6.504815  
1 1 1 4   11 21 o 138.9109 1.485176  192.1436       4.109864  183.4031       5.525729  202.9650       6.148467  -7.033646      2.970353  
1 1 1 4   11 22 o 167.1268 1.768265  279.5097       5.910016  281.2050       8.421122  277.8643       8.296325  0.9975128      3.536530  
1 1 1 4   11 23 o 117.8460 1.277455  137.3655       2.983289  150.2108       4.608865  128.1022       3.913841  9.372047       2.554909  
1 1 1 4   11 24 f 172.9173 1.826238  299.2778       6.315563  300.5536       8.973985  298.0258       8.889722  0.7294006      3.652475  
1 1 1 4   11 25 f 79.81200 0.9239846 63.59225       1.472853  61.48846       2.019296  65.98383       2.152982  -2.814865      1.847969  
1 1 1 4   11 26 o 54.26513 0.7164937 29.37216       0.7763723 30.86415       1.137976  28.07304       1.061882  2.571087       1.432987  
1 1 1 4   11 27 o 85.49966 0.9719882 73.06226       1.660843  74.74063       2.405374  71.53304       2.296014  1.874374       1.943976  
1 1 1 4   11 28 o 41.47778 0.6420093 17.20613       0.5324145 17.24854       0.7630289 17.16589       0.7432560 0.9943771E-01  1.284019  
1 1 1 4   11 29 o 151.1485 1.611314  228.6386       4.869109  225.0634       6.774761  232.4584       7.002820  -2.439987      3.222627  
1 1 1 4   11 30 o 93.19627 1.306150  85.53383       2.234499  90.48073       4.124171  83.47822       2.658522  3.717216       2.612300  
1 1 1 4   11 31 o 111.5150 1.741820  124.5478       3.883478  122.2392       5.407197  127.0072       5.581065  -2.130592      3.483639  
1 1 1 4   11 32 o 96.79719 1.327322  94.30968       2.437948  95.36938       3.014367  92.30562       4.145345  1.625214       2.654645  
1 1 1 4   11 33 o 83.52581 0.9597429 69.81156       1.603086  68.84985       2.246719  70.80900       2.288059  -1.171463      1.919486  
1 1 1 4   11 34 o 50.63687 0.7006479 25.23122       0.7032568 22.49664       0.9228565 29.01860       1.086068  -6.435745      1.401296  
1 1 1 4   11 35 o 81.50011 0.9440688 66.49145       1.538655  66.81106       2.195013  66.18267       2.157446  0.3839569      1.888138  
1 1 1 4   11 36 f 41.75403 0.6545945 17.36910       0.5454096 15.97882       0.7451741 18.97323       0.8004393 -3.584080      1.309189  
1 1 1 4   11 37 o 102.7741 1.603919  105.4539       3.282950  100.1947       4.405884  112.0189       4.922545  -5.709511      3.207839  
1 1 1 4   11 38 o 38.10939 0.6532071 14.46624       0.4966110 15.49982       0.7348043 13.59719       0.6737846 2.494080       1.306414  
1 1 1 4   11 39 o 25.21274 0.6881049 6.229883       0.3427946 7.762531       0.5263421 5.100935       0.4517351 5.275059       1.376210  
1 1 1 4   11 40 o 55.19510 0.7415650 30.46921       0.8179427 31.17952       1.185825  29.82454       1.129706  1.224518       1.483130  
1 1 1 4   11 41 o 101.4521 1.137587  102.6714       2.299343  97.38998       3.091822  109.2069       3.439402  -5.793640      2.275174  
1 1 1 4   11 42 o 109.4283 1.214744  120.1220       2.657792  118.1482       3.705205  122.2140       3.814552  -1.846428      2.429488  
1 1 1 4   11 43 o 48.98763 0.7177783 24.03225       0.7032310 23.84725       0.9941946 24.21750       0.9948434 -0.3778572     1.435557  
1 1 1 4   11 44 o 42.29105 0.6962759 17.71894       0.5852122 19.64805       0.8908924 16.25474       0.7761513 4.003433       1.392552  
1 1 1 4   11 45 o 26.40855 1.177914  6.694902       0.6075159 8.607957       0.9979069 5.568344       0.7657783 5.723490       2.355829  
1 1 1 4   11 46 o 62.79156 0.8216925 39.48207       1.031372  38.04689       1.432399  41.02719       1.486252  -2.367569      1.643385  
1 1 1 4   11 47 o 39.76705 0.7086782 15.85191       0.5633395 15.31001       0.7986963 16.38839       0.7946836 -1.356255      1.417356  
1 1 1 4   11 48 o 67.29359 0.8621087 45.33271       1.158415  46.90763       1.697064  43.95864       1.585150  2.177269       1.724217  
1 1 1 4   11 49 o 57.34301 0.7984014 32.95345       0.9148327 33.37381       1.325651  32.57124       1.264081  0.6924210      1.596803  
1 1 1 4   11 50 o 10.70029 2.303472  1.201639       0.5476393 0.8292075      0.8663379 1.449503       0.7067579 -1.980552      4.606945  
1 1 1 4   11 51 f 51.60941 0.9917871 27.12530       0.9689726 27.93236       1.201376  25.62300       1.639097  2.312595       1.983574  
1 1 1 4   11 52 o 32.38278 0.9786429 10.47633       0.6304610 9.065763       0.8587584 12.12544       0.9285372 -4.711319      1.957286  
1 1 1 4   11 53 o 53.93636 1.065141  29.24805       1.148278  30.16502       1.660251  28.40718       1.589856  1.614437       2.130283  
1 1 1 4   11 54 o 29.60539 0.9960775 8.828408       0.5891684 8.460622       0.8392739 9.185755       0.8272756 -1.227322      1.992155  
1 1 1 4   11 55 o 34.07011 0.9981561 11.67650       0.6799564 11.37194       0.9486779 11.99824       0.9750727 -0.9130821     1.996312  
1 1 1 4   11 56 o 30.56500 1.013358  9.364757       0.6176875 10.02005       0.9170460 8.820571       0.8356948 1.941353       2.026715  
1 1 1 4   11 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   12 0  o 166.6261 1.758853  277.6860       5.860974  279.5233       8.350030  275.9016       8.228642  1.086182       3.517706  
1 1 1 4   12 1  o 137.5686 1.466179  189.2630       4.033620  187.9038       5.658134  190.6676       5.751822  -1.004150      2.932358  
1 1 1 4   12 2  o 59.78261 0.7287276 35.68427       0.8703940 36.94952       1.266790  34.55283       1.197940  2.004356       1.457455  
1 1 1 4   12 3  o 462.2520 4.800787  2138.307       44.33767  2088.606       61.06951  2193.705       64.47486  -11.32053      9.601575  
1 1 1 4   12 4  o 315.5268 3.280725  995.6768       20.68885  1017.167       29.93137  976.0165       28.62896  6.507996       6.561450  
1 1 1 4   12 5  o 412.1002 4.280458  1697.261       35.21331  1643.304       48.06796  1759.758       51.73193  -14.08002      8.560917  
1 1 1 4   12 6  o 101.9216 1.115466  101.7050       2.235989  115.7004       3.575867  92.71951       2.865240  11.27121       2.230932  
1 1 1 4   12 7  o 118.0122 1.271675  139.2643       3.000997  137.8559       4.199730  140.7338       4.289804  -1.218887      2.543350  
1 1 1 4   12 8  o 298.4223 3.105981  890.3621       18.51793  914.2414       26.94586  868.9917       25.49125  7.564514       6.211963  
1 1 1 4   12 9  o 458.4102 4.763517  2106.216       43.66198  2079.204       60.93327  2134.721       62.59497  -6.023254      9.527034  
1 1 1 4   12 10 o 155.2812 1.645260  241.1090       5.107982  237.6064       7.117885  244.8280       7.334539  -2.323792      3.290521  
1 1 1 4   12 11 o 30.24174 0.5727031 9.146031       0.3463907 9.147860       0.4897294 9.144200       0.4900114 0.6052017E-02  1.145406  
1 1 1 4   12 12 o 249.4649 2.603685  622.1583       12.97655  638.9418       18.88333  607.1405       17.86241  6.360260       5.207370  
1 1 1 4   12 13 o 377.6975 3.926870  1429.997       29.66336  1429.401       41.92244  1430.594       41.97826  -0.1567993     7.853741  
1 1 1 4   12 14 f 156.7289 2.357629  245.6481       7.384968  240.1899       10.21488  251.6248       10.68910  -3.641159      4.715258  
1 1 1 4   12 15 o 297.5421 3.099641  886.9210       18.44510  890.0820       26.18593  883.8080       25.98584  1.050110       6.199282  
1 1 1 4   12 16 o 77.30417 0.8895996 59.72401       1.374643  61.08656       1.984301  58.46671       1.906131  1.693985       1.779199  
1 1 1 4   12 17 o 221.6711 2.321516  490.4551       10.26491  472.3199       13.92295  512.0516       15.19370  -8.938049      4.643033  
1 1 1 4   12 18 f 111.6687 1.215467  124.4377       2.709120  129.2904       3.985955  120.2714       3.693307  4.035500       2.430933  
1 1 1 4   12 19 o 46.41057 0.7761905 20.68538       0.6707866 19.33131       0.8006800 23.87305       1.228499  -4.890415      1.552381  
1 1 1 4   12 20 o 283.3857 4.184744  805.1816       23.68589  783.5093       32.50264  829.7247       34.58838  -8.080078      8.369488  
1 1 1 4   12 21 f 95.90463 1.491417  92.00217       2.860080  93.30086       4.095928  90.76642       3.995471  1.319992       2.982834  
1 1 1 4   12 22 o 348.0049 5.141938  1219.536       35.78407  1209.396       50.14366  1230.061       51.08204  -2.923096      10.28388  
1 1 1 4   12 23 o 34.97875 0.7262917 12.13718       0.4903181 12.61259       0.8146701 11.86715       0.6139715 1.064053       1.452583  
1 1 1 4   12 24 o 170.7353 1.808408  290.7595       6.156682  304.7291       9.140688  279.1594       8.329472  7.471848       3.616815  
1 1 1 4   12 25 o 47.51579 0.6807818 22.57908       0.6469290 22.35714       0.9097890 22.80608       0.9200895 -0.4723320     1.361564  
1 1 1 4   12 26 o 82.35941 0.9470199 67.67203       1.556857  65.10758       2.122592  70.65807       2.290432  -3.367485      1.894040  
1 1 1 4   12 27 o 76.05861 1.115062  57.46657       1.569127  58.96988       2.835391  56.80291       1.883907  1.408073       2.230123  
1 1 1 4   12 28 o 64.88287 1.165416  41.33214       1.495502  37.00051       1.945788  47.58410       2.337639  -8.147964      2.330832  
1 1 1 4   12 29 o 73.61467 1.259060  53.18939       1.827129  60.38763       2.895776  48.42813       2.355116  8.108566       2.518120  
1 1 1 4   12 30 o 92.79878 1.044541  86.12724       1.937824  84.44733       2.693224  87.93051       2.790350  -1.874290      2.089082  
1 1 1 4   12 31 o 66.30006 0.8125998 43.67863       1.072378  47.00248       1.615334  41.05930       1.433959  4.477776       1.625200  
1 1 1 4   12 32 o 179.1248 1.897286  321.9242       6.796766  320.2404       9.562444  323.6435       9.662495  -0.9436340     3.794572  
1 1 1 4   12 33 o 57.13296 0.7410281 32.27865       0.8403532 35.74548       1.288730  29.71406       1.108424  5.273567       1.482056  
1 1 1 4   12 34 o 93.96826 1.059140  88.38290       1.989749  89.79288       2.861752  87.06341       2.768428  1.448021       2.118281  
1 1 1 4   12 35 o 32.46051 0.6372596 10.53962       0.4133630 9.952153       0.5791174 11.14979       0.5902077 -1.844439      1.274519  
1 1 1 4   12 36 o 40.01389 0.8649518 15.79227       0.6868613 14.08983       0.9060979 18.09207       1.053138  -4.994545      1.729904  
1 1 1 4   12 37 o 65.69678 0.8141010 43.19712       1.069578  42.47789       1.501473  43.93811       1.524001  -1.110336      1.628202  
1 1 1 4   12 38 o 46.13686 0.6835622 21.30026       0.6304834 21.40242       0.9058380 21.20427       0.8780860 0.2135849      1.367124  
1 1 1 4   12 39 o 88.60638 1.014502  78.67167       1.797795  78.62283       2.549728  78.71996       2.535265  -0.5584717E-01 2.029004  
1 1 1 4   12 40 o 22.24389 0.7222312 4.884479       0.3186674 5.850093       0.4813407 4.131003       0.4251919 3.861206       1.444462  
1 1 1 4   12 41 o 32.15045 0.6657522 10.35078       0.4277183 10.25965       0.6162851 10.43546       0.5940951 -0.2746658     1.331504  
1 1 1 4   12 42 o 38.45421 0.6766883 14.81112       0.5199960 14.07529       0.7337351 15.55361       0.7370470 -1.921978      1.353377  
1 1 1 4   12 43 o 40.78214 0.6908157 16.65350       0.5632746 16.72314       0.8077458 16.58758       0.7858852 0.1646271      1.381631  
1 1 1 4   12 44 f 44.35147 0.7074556 19.67467       0.6269108 18.49252       0.8704038 20.94901       0.9037053 -2.766720      1.414911  
1 1 1 4   12 45 o 68.70501 0.8679821 47.06295       1.187838  50.16888       1.779911  44.56891       1.594977  4.055664       1.735964  
1 1 1 4   12 46 o 39.54892 0.7064297 15.61737       0.5574030 16.40811       0.8240358 14.95036       0.7568203 1.836613       1.412859  
1 1 1 4   12 47 o 82.21973 0.9814531 67.57726       1.608495  71.15633       2.395444  64.63843       2.170644  3.932899       1.962906  
1 1 1 4   12 48 o 33.03831 1.013502  10.80812       0.5709547 11.25764       1.179447  10.67054       0.6525048 0.8127174      2.027004  
1 1 1 4   12 49 o 9.282059 2.286005  0.6523885      0.5290926 1.284731       0.8592526 0.2662049      0.6714931 3.801869       4.572011  
1 1 1 4   12 50 o 39.03955 0.7409963 15.22201       0.5770669 16.10753       0.8544536 14.47940       0.7824796 2.075829       1.481993  
1 1 1 4   12 51 o 31.50276 0.7984143 10.01790       0.4998741 9.177941       0.7279885 10.76723       0.6875968 -2.528316      1.596829  
1 1 1 4   12 52 o 79.20995 1.336029  63.36237       2.116273  62.76013       2.964799  63.98796       3.021737  -0.7599106     2.672058  
1 1 1 4   12 53 o 18.25834 1.257132  3.397660       0.4535952 2.828316       0.6462169 3.950611       0.6368465 -3.075947      2.514265  
1 1 1 4   12 54 f 51.96570 1.054875  27.09493       1.094065  28.74327       1.612098  25.68752       1.489632  2.911346       2.109751  
1 1 1 4   12 55 o 29.27514 1.019293  8.631209       0.5967687 8.557627       0.8388013 8.706629       0.8492119 -0.2518864     2.038587  
1 1 1 4   12 56 o 45.77271 1.026128  20.95653       0.9359512 22.95098       1.397412  19.33392       1.260431  3.916813       2.052256  
1 1 1 4   13 0  o 281.0221 2.926978  788.5705       16.41819  763.1312       22.39019  818.1580       24.14685  -9.772461      5.853957  
1 1 1 4   13 1  o 320.5843 3.333125  1028.878       21.37070  1031.743       30.31243  1026.047       30.13382  0.8862305      6.666251  
1 1 1 4   13 2  o 291.3666 3.032535  849.7250       17.67116  853.1301       25.09582  846.3763       24.88707  1.156677       6.065070  
1 1 1 4   13 3  f 469.3774 4.876283  2208.614       45.77479  2195.536       64.41209  2221.957       65.06347  -2.802551      9.752566  
1 1 1 4   13 4  o 405.9877 4.216562  1651.370       34.23506  1640.965       48.07835  1662.073       48.76023  -2.588226      8.433124  
1 1 1 4   13 5  o 251.2488 2.624667  631.7623       13.18884  631.4740       18.62504  632.0522       18.67874  -0.1144714     5.249333  
1 1 1 4   13 6  o 144.4131 1.535135  208.6071       4.433800  209.3086       6.291844  207.9151       6.249054  0.4821930      3.070270  
1 1 1 4   13 7  o 311.8456 3.244314  973.2181       20.22409  990.9194       29.16568  956.8237       28.06823  5.450531       6.488628  
1 1 1 4   13 8  o 124.0114 1.334632  153.8004       3.309796  155.3811       4.725244  152.2779       4.637506  1.250603       2.669264  
1 1 1 4   13 9  o 130.1397 1.396894  169.1150       3.630592  174.6781       5.308226  164.2251       4.976662  4.013718       2.793788  
1 1 1 4   13 10 o 44.21015 0.6264178 19.35616       0.5509256 17.71635       0.7344007 21.46670       0.8331649 -4.241161      1.252836  
1 1 1 4   13 11 o 154.2314 1.637355  237.9464       5.050009  236.0763       7.076190  239.8876       7.209252  -1.234329      3.274711  
1 1 1 4   13 12 o 385.5064 4.338475  1488.993       33.03906  1504.996       50.99391  1477.415       43.37408  3.368103       8.676950  
1 1 1 4   13 13 f 378.0344 5.581104  1437.807       42.19481  1446.102       60.03801  1429.712       59.31354  2.139496       11.16221  
1 1 1 4   13 14 o 467.0353 4.885315  2176.165       45.29251  2321.463       69.20119  2067.279       59.90614  26.86456       9.770630  
1 1 1 4   13 15 o 115.2354 1.257089  132.7471       2.895909  135.8320       4.172958  129.8812       4.022077  2.580467       2.514178  
1 1 1 4   13 16 o 226.8677 2.373554  515.2314       10.76770  510.0251       15.05752  520.6800       15.40405  -2.341751      4.747109  
1 1 1 4   13 17 o 132.1921 1.417303  174.7508       3.745797  177.4716       5.384039  172.1984       5.214732  1.992661       2.834606  
1 1 1 4   13 18 o 164.5987 1.741285  269.9953       5.712352  258.4837       7.703333  284.0585       8.514392  -7.757126      3.482569  
1 1 1 4   13 19 o 208.7897 2.191187  436.4503       9.149819  437.8899       12.98130  435.0290       12.89869  0.6835175      4.382375  
1 1 1 4   13 20 f 151.6265 1.612292  229.8519       4.885620  224.9612       6.753393  235.2218       7.076549  -3.378647      3.224583  
1 1 1 4   13 21 o 77.43678 0.9815219 60.07064       1.506587  60.67332       2.006814  59.29227       2.280624  0.8943939      1.963044  
1 1 1 4   13 22 o 166.7228 1.904966  278.8781       6.312988  284.1147       8.515100  272.4866       9.407247  3.505432       3.809932  
1 1 1 4   13 23 o 163.9362 2.105269  272.0994       6.653106  280.8840       8.434406  257.6312       10.82435  7.148544       4.210538  
1 1 1 4   13 24 o 51.61140 0.9538864 26.54383       0.9826115 25.03035       1.338643  28.31203       1.446909  -3.177929      1.907773  
1 1 1 4   13 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   13 26 o 134.8526 4.162704  0.000000       0.000000  ?              ?         182.5689       11.22703  ?              ?         
1 1 1 4   13 27 o 28.76312 0.9308147 8.281233       0.4979219 8.288777       0.6022401 8.264936       0.8851613 0.4614258E-01  1.861629  
1 1 1 4   13 28 o 34.27332 0.6463809 11.73462       0.4427889 11.27929       0.6135402 12.22958       0.6396734 -1.385967      1.292762  
1 1 1 4   13 29 o 17.48679 0.7835763 3.055605       0.2735546 3.116373       0.4006385 3.002531       0.3744203 0.3250027      1.567153  
1 1 1 4   13 30 o 158.0591 1.684363  250.1956       5.320755  244.9078       7.358963  255.9880       7.702131  -3.488052      3.368727  
1 1 1 4   13 31 o 42.72613 0.6585388 18.24534       0.5623702 17.35739       0.7830853 19.19099       0.8081291 -2.145218      1.317078  
1 1 1 4   13 32 o 38.16983 0.6367739 14.40708       0.4830868 16.16905       0.7346141 13.06455       0.6412415 4.064514       1.273548  
1 1 1 4   13 33 o 31.83048 0.6333231 10.11650       0.4027211 10.56697       0.5868928 9.715632       0.5536289 1.336384       1.266646  
1 1 1 4   13 34 o 111.9767 1.233077  124.7121       2.744933  133.8034       4.165063  117.7316       3.649641  7.146835       2.466153  
1 1 1 4   13 35 o 47.23270 0.9166924 22.27764       0.8646361 21.29592       1.183455  23.40162       1.266305  -2.225193      1.833385  
1 1 1 4   13 36 f 27.73259 0.6632148 7.645559       0.3642722 6.261368       0.4951338 9.278751       0.5378278 -5.438608      1.326430  
1 1 1 4   13 37 o 61.74043 0.7865382 38.10297       0.9700944 39.26598       1.413584  37.06764       1.333737  1.776535       1.573076  
1 1 1 4   13 38 o 51.42379 0.7170328 26.47066       0.7373192 26.48720       1.052873  26.45474       1.032869  0.3055191E-01  1.434066  
1 1 1 4   13 39 o 68.95793 0.8483034 47.54092       1.168298  49.07785       1.707453  46.18792       1.602026  2.088974       1.696607  
1 1 1 4   13 40 o 73.55954 0.8893004 54.21111       1.308305  54.06149       1.854505  54.35934       1.845969  -0.2030945     1.778601  
1 1 1 4   13 41 o 66.19305 0.8334750 43.88632       1.103095  44.20734       1.581265  43.58199       1.539595  0.4691925      1.666950  
1 1 1 4   13 42 o 31.17981 0.6829998 9.744905       0.4254854 9.392728       0.6076874 10.08360       0.5959390 -1.108709      1.366000  
1 1 1 4   13 43 o 66.34352 0.8429796 44.04012       1.117574  42.32847       1.542525  45.93128       1.621400  -2.707985      1.685959  
1 1 1 4   13 44 o 29.92875 0.7085466 8.906045       0.4223299 9.712058       0.6338288 8.262456       0.5663765 2.416004       1.417093  
1 1 1 4   13 45 o 46.17480 0.7271912 21.36568       0.6713605 20.72420       0.9477606 22.01174       0.9511426 -1.393879      1.454382  
1 1 1 4   13 46 o 68.20612 0.9485723 46.40028       1.264648  47.99933       2.030080  45.38618       1.616663  1.862015       1.897145  
1 1 1 4   13 47 o 27.58398 1.200662  7.724011       0.6558335 6.986944       0.9673634 8.350946       0.8921704 -2.485548      2.401323  
1 1 1 4   13 48 o 14.02100 1.137456  1.951526       0.3138162 2.508260       0.4715666 1.508992       0.4204288 3.554376       2.274912  
1 1 1 4   13 49 o 12.79177 1.194197  1.631841       0.3039850 1.823452       0.4582244 1.481230       0.4062519 1.326757       2.388393  
1 1 1 4   13 50 o 16.48228 1.066417  2.784277       0.3443710 2.390069       0.5178593 3.096802       0.4610964 -2.154563      2.132833  
1 1 1 4   13 51 f 67.63254 1.194827  46.09729       1.616077  46.59715       2.301661  45.61125       2.269631  0.7213821      2.389654  
1 1 1 4   13 52 o 38.15953 0.9662464 14.58523       0.7359788 13.52945       1.006567  15.79810       1.078851  -2.958008      1.932493  
1 1 1 4   13 53 o 30.57729 0.9963198 9.361048       0.6077441 10.11453       0.8987512 8.726239       0.8249441 2.253923       1.992640  
1 1 1 4   13 54 o 14.10706 1.509607  2.011718       0.4125254 2.469046       0.6271486 1.662935       0.5476894 3.003938       3.019214  
1 1 1 4   13 55 o 15.61437 1.432940  2.449407       0.4453110 2.769913       0.6684278 2.193638       0.5971178 1.819860       2.865881  
1 1 1 4   13 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   14 0  f 43.62193 0.6278200 19.02511       0.5476661 19.40929       0.7812466 18.65389       0.7679582 0.8658066      1.255640  
1 1 1 4   14 1  o 241.2375 2.519733  581.5206       12.14053  565.7861       16.65747  599.3494       17.73140  -6.943756      5.039465  
1 1 1 4   14 2  o 237.5585 2.483473  564.7281       11.79769  560.1626       16.51915  569.4810       16.85482  -1.957260      4.966946  
1 1 1 4   14 3  o 262.5880 2.738955  688.8156       14.35846  712.9326       21.07437  667.9212       19.61584  8.551117       5.477911  
1 1 1 4   14 4  o 227.7538 2.381583  519.1386       10.84829  519.0522       15.34192  519.2250       15.34168  -0.3794861E-01 4.763166  
1 1 1 4   14 5  o 363.4768 3.779076  1321.661       27.43116  1363.783       40.12416  1284.697       37.58704  10.82886       7.558152  
1 1 1 4   14 6  o 430.0110 4.469299  1854.522       38.43263  1839.172       53.86967  1870.433       54.84740  -3.611176      8.938599  
1 1 1 4   14 7  o 219.7844 2.303138  483.3003       10.12098  489.9540       14.52275  477.0170       14.11253  2.937729       4.606277  
1 1 1 4   14 8  o 198.1311 2.080231  391.3699       8.216701  375.5702       11.10078  410.5164       12.22003  -8.804916      4.160462  
1 1 1 4   14 9  o 278.5069 2.910555  775.8174       16.19609  754.7775       22.31037  799.2587       23.54927  -7.962402      5.821111  
1 1 1 4   14 10 o 208.1909 3.095753  433.6956       12.87608  423.0699       17.72098  445.5795       18.74084  -5.384064      6.191507  
1 1 1 4   14 11 o 103.3584 1.134799  106.7167       2.343369  109.8277       3.409281  103.9306       3.226330  2.851128       2.269598  
1 1 1 4   14 12 o 185.6398 1.954540  344.2030       7.244119  333.5719       9.900277  356.4541       10.62784  -6.151733      3.909081  
1 1 1 4   14 13 o 141.7932 1.511656  200.6147       4.277278  208.9296       6.306956  193.5334       5.820282  5.423172       3.023311  
1 1 1 4   14 14 o 212.8161 2.230597  453.1952       9.490351  460.4935       13.65411  446.3741       13.20016  3.309341       4.461195  
1 1 1 4   14 15 o 92.54410 1.037529  84.64540       1.902705  78.63713       2.495210  92.99284       2.941096  -7.752510      2.075057  
1 1 1 4   14 16 o 290.6906 3.034478  846.8263       17.64140  844.1796       24.84234  849.5189       25.05645  -0.9129333     6.068955  
1 1 1 4   14 17 o 321.0352 3.344394  1032.923       21.46239  1015.546       29.78862  1051.681       30.94945  -5.593353      6.688788  
1 1 1 4   14 18 o 122.7446 1.327024  150.6486       3.256191  153.3223       4.691321  148.1631       4.523180  2.099510       2.654049  
1 1 1 4   14 19 o 123.9712 1.339201  153.7518       3.320210  152.7239       4.662093  154.8098       4.729606  -0.8403702     2.678402  
1 1 1 4   14 20 o 102.1405 1.128858  103.9925       2.299762  99.60262       3.116432  109.2415       3.407769  -4.714989      2.257716  
1 1 1 4   14 21 o 19.34239 0.7782155 3.760337       0.2942764 2.785326       0.4059963 4.839587       0.4271481 -5.310078      1.556431  
1 1 1 4   14 22 o 90.89501 1.476661  81.94294       2.667742  76.45203       3.540852  89.15182       4.057143  -6.976868      2.953322  
1 1 1 4   14 23 o 86.17459 1.416004  74.31548       2.440436  73.97050       3.440058  74.66501       3.462647  -0.4025345     2.832007  
1 1 1 4   14 24 o 110.6076 1.515923  118.6502       3.023702  113.9644       3.540779  131.2715       5.811120  -7.771233      3.031846  
1 1 1 4   14 25 o 98.61618 1.102090  97.28535       2.173260  98.35338       3.110156  96.26628       3.038021  1.056870       2.204181  
1 1 1 4   14 26 o 109.6613 1.476334  119.4023       3.025418  117.6417       3.660972  123.1943       5.372912  -2.482803      2.952668  
1 1 1 4   14 27 o 30.34813 0.8136619 9.048319       0.4893562 10.79481       0.7507766 7.758259       0.6452559 5.000929       1.627324  
1 1 1 4   14 28 o 87.21335 1.384239  76.15877       2.414233  76.78603       3.444014  75.55273       3.385228  0.7049484      2.768478  
1 1 1 4   14 29 o 102.3633 1.590759  104.2657       3.238622  98.37306       4.314712  111.8696       4.901382  -6.563858      3.181518  
1 1 1 4   14 30 o 40.76870 0.7597445 16.19014       0.5847216 17.94486       1.034077  15.36538       0.7089418 3.155277       1.519489  
1 1 1 4   14 31 o 115.0348 1.259837  132.2148       2.892880  127.4138       3.945345  137.7973       4.254415  -4.498482      2.519674  
1 1 1 4   14 32 o 36.62614 0.6439504 13.41224       0.4714597 13.70041       0.6802499 13.14588       0.6540131 0.7562561      1.287901  
1 1 1 4   14 33 o 25.01337 0.6775581 6.016359       0.3311738 8.206491       0.5259305 4.577374       0.4263057 7.251213       1.355116  
1 1 1 4   14 34 o 42.61343 0.8701347 18.13132       0.7405574 17.25484       1.015392  19.12736       1.082432  -2.194103      1.740269  
1 1 1 4   14 35 f 31.40588 0.6524850 9.775486       0.4066678 8.216498       0.5487726 11.67442       0.6056560 -5.503191      1.304970  
1 1 1 4   14 36 f 28.15635 0.6603149 7.944602       0.3712101 7.442719       0.5266014 8.440314       0.5233545 -1.771656      1.320630  
1 1 1 4   14 37 o 38.81183 0.6653866 15.01519       0.5150771 15.88620       0.7637467 14.28854       0.6975974 2.055134       1.330773  
1 1 1 4   14 38 o 61.65481 0.7924079 37.89824       0.9741651 40.10348       1.447702  36.07342       1.316921  3.260780       1.584816  
1 1 1 4   14 39 o 9.894568 1.324602  1.014494       0.2512788 1.021881       0.3763847 1.008555       0.3375092 0.4226494E-01  2.649204  
1 1 1 4   14 40 o 49.34113 0.7238194 24.07019       0.7089710 26.94691       1.086680  21.93825       0.9354931 5.065609       1.447639  
1 1 1 4   14 41 o 39.74133 0.6831188 15.78107       0.5422096 16.45014       0.7927051 15.19283       0.7432794 1.578384       1.366238  
1 1 1 4   14 42 o 70.00385 0.8717692 48.74786       1.213918  52.59470       1.836561  45.76332       1.617675  4.858620       1.743538  
1 1 1 4   14 43 o 48.47854 0.7307128 23.51621       0.7076631 24.09093       1.030366  23.00306       0.9736169 1.117081       1.461426  
1 1 1 4   14 44 o 24.65614 1.185646  5.756322       0.5488628 7.143957       1.000709  5.159285       0.6564026 3.971485       2.371293  
1 1 1 4   14 45 o 39.08501 1.117688  15.17550       0.8660453 16.63657       1.335653  14.11562       1.137595  3.194744       2.235376  
1 1 1 4   14 46 o 52.81350 0.7668362 27.93183       0.8091875 28.56645       1.175606  27.36047       1.115487  1.135025       1.533672  
1 1 1 4   14 47 o 30.48145 0.7413470 9.012888       0.4444907 11.51335       0.7028509 7.346304       0.5738080 6.820717       1.482694  
1 1 1 4   14 48 o 23.38501 0.8131492 5.484149       0.3792712 5.516309       0.5581030 5.456553       0.5169938 0.1219501      1.626298  
1 1 1 4   14 49 o 47.66415 0.7581041 22.59566       0.7189118 24.61451       1.086725  21.02459       0.9586636 3.748661       1.516208  
1 1 1 4   14 50 o 22.43779 0.9902650 5.080229       0.4411775 4.886589       0.6576070 5.238717       0.5949292 -0.7964745     1.980530  
1 1 1 4   14 51 o 22.62115 1.044717  5.150758       0.4720115 4.812236       0.6637514 5.497089       0.6713639 -1.512142      2.089434  
1 1 1 4   14 52 o 60.96410 1.126259  37.23363       1.368176  40.14666       2.045055  34.87341       1.840809  4.273617       2.252518  
1 1 1 4   14 53 o 16.00448 1.313048  2.597304       0.4189615 2.467999       0.6070867 2.714889       0.5789185 -0.7797699     2.626095  
1 1 1 4   14 54 o 42.17683 0.9915968 17.83047       0.8344662 19.24164       1.231716  16.63328       1.134497  3.067848       1.983194  
1 1 1 4   14 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   15 0  o 192.6394 2.024330  371.2024       7.796589  366.0077       10.85582  376.7361       11.20453  -2.780441      4.048660  
1 1 1 4   15 1  o 231.0661 2.418022  533.9232       11.16536  546.6730       16.18649  522.3498       15.42166  5.252213       4.836044  
1 1 1 4   15 2  o 289.8095 3.020741  841.0658       17.50616  849.3630       25.01855  833.1063       24.50435  2.795288       6.041481  
1 1 1 4   15 3  o 425.6987 4.428509  1817.368       37.68294  1849.998       54.38736  1787.241       52.25974  7.312042       8.857018  
1 1 1 4   15 4  o 331.9713 3.994709  1104.815       26.51263  1121.125       38.12079  1089.536       36.89813  4.726135       7.989418  
1 1 1 4   15 5  o 89.86996 1.091123  80.76763       1.940829  80.66743       2.565759  80.90165       2.967315  -0.1273575     2.182245  
1 1 1 4   15 6  o 377.8954 3.932052  1431.369       29.69774  1461.030       42.95731  1404.214       41.10201  7.465729       7.864103  
1 1 1 4   15 7  o 131.0051 1.404447  170.6354       3.661256  181.8607       5.520612  161.8216       4.891820  7.641624       2.808894  
1 1 1 4   15 8  o 260.9095 2.723448  681.8201       14.21087  678.2466       19.98750  685.4730       20.20873  -1.380157      5.446895  
1 1 1 4   15 9  f 59.15556 0.7379402 33.84433       0.8544157 29.73525       1.080852  40.68970       1.395058  -9.257149      1.475880  
1 1 1 4   15 10 o 126.7990 1.366843  160.8479       3.466283  161.1363       4.905709  160.5603       4.898429  0.2270432      2.733685  
1 1 1 4   15 11 o 138.8134 1.482446  192.3009       4.107049  185.7605       5.595327  199.9412       6.047476  -5.102570      2.964891  
1 1 1 4   15 12 o 89.45667 1.003400  79.69400       1.789196  76.04493       2.413902  84.14292       2.665356  -4.524254      2.006800  
1 1 1 4   15 13 o 255.5696 2.669503  654.0262       13.64118  646.1265       19.02914  662.3773       19.56510  -3.167709      5.339005  
1 1 1 4   15 14 f 75.58257 0.8816810 56.45953       1.321238  52.30857       1.735566  62.18089       2.037587  -6.528519      1.763362  
1 1 1 4   15 15 o 85.42534 0.9695328 72.99237       1.656453  73.04240       2.342812  72.94236       2.342346  0.5855560E-01  1.939066  
1 1 1 4   15 16 f 87.03123 0.9859135 74.76335       1.699165  69.10286       2.222213  82.73128       2.636521  -7.825798      1.971827  
1 1 1 4   15 17 o 70.99673 0.8442128 50.40549       1.198561  50.98755       1.712437  49.84650       1.678127  0.8033066      1.688426  
1 1 1 4   15 18 o 209.2478 2.198352  438.0254       9.191859  448.6993       13.33924  428.3744       12.68400  4.841461       4.396704  
1 1 1 4   15 19 o 134.6342 2.063792  181.3549       5.554057  177.1750       7.699735  185.8890       8.019249  -3.228867      4.127584  
1 1 1 4   15 20 o 124.6450 1.923819  154.8427       4.778638  163.6446       7.131902  147.6717       6.437369  6.391609       3.847637  
1 1 1 4   15 21 o 125.6791 1.761732  158.6012       4.357170  160.8374       5.697469  155.4510       6.762424  2.167267       3.523463  
1 1 1 4   15 22 o 116.8900 1.273267  136.5791       2.974069  140.1000       4.315286  133.3937       4.104560  2.864609       2.546534  
1 1 1 4   15 23 o 94.52047 1.065451  88.89764       2.005687  94.55076       3.007477  84.36943       2.691665  5.380341       2.130901  
1 1 1 4   15 24 o 101.9456 1.133653  103.9465       2.310562  105.7752       3.322726  102.2342       3.215184  1.734528       2.267305  
1 1 1 4   15 25 o 84.76874 0.9746716 71.88113       1.652143  71.00527       2.310287  72.79787       2.363590  -1.056229      1.949343  
1 1 1 4   15 26 o 43.73303 0.6730016 19.07003       0.5876326 18.07008       0.8029150 20.22347       0.8623396 -2.461010      1.346003  
1 1 1 4   15 27 f 68.97058 0.8394378 47.43158       1.155245  49.94314       1.706094  45.30495       1.569915  3.359261       1.678876  
1 1 1 4   15 28 o 114.0653 1.251293  130.2359       2.853515  132.3327       4.103367  128.2723       3.970854  1.774506       2.502586  
1 1 1 4   15 29 f 26.94233 0.6753536 7.223306       0.3623818 8.229258       0.5324695 6.355373       0.4945944 3.476707       1.350707  
1 1 1 4   15 30 o 34.41490 0.7554039 10.60985       0.4837049 8.716468       0.5702298 15.46771       0.9133832 -9.798105      1.510808  
1 1 1 4   15 31 o 51.46560 0.9534739 26.48948       0.9807976 27.29886       1.418382  25.74784       1.357721  1.504250       1.906948  
1 1 1 4   15 32 o 104.9238 1.630526  110.1559       3.413423  106.0163       4.638236  115.0468       5.041564  -4.271980      3.261051  
1 1 1 4   15 33 o 66.69027 0.9924724 44.32112       1.255621  45.23114       2.158593  43.85574       1.543643  0.9996643      1.984945  
1 1 1 4   15 34 f 49.13335 0.7052695 24.16044       0.6929199 23.56882       0.9776481 24.75763       0.9822415 -1.209599      1.410539  
1 1 1 4   15 35 o 25.38769 0.6684525 6.448895       0.3389990 6.479399       0.4922021 6.421366       0.4675790 0.1132832      1.336905  
1 1 1 4   15 36 o 89.38802 1.024876  79.47923       1.821538  85.34624       2.761512  74.96043       2.423539  5.785080       2.049753  
1 1 1 4   15 37 o 86.23279 0.9996490 74.30271       1.720121  77.50430       2.537754  71.58170       2.339552  3.419701       1.999298  
1 1 1 4   15 38 o 99.29504 1.121432  98.85448       2.226382  100.0671       3.195244  97.71016       3.103903  1.178391       2.242865  
1 1 1 4   15 39 o 42.87143 0.6981566 18.10629       0.5933743 20.76773       0.9158000 16.18053       0.7790131 5.341270       1.396313  
1 1 1 4   15 40 o 40.30735 0.6928011 16.27139       0.5584032 15.92192       0.7896605 16.62094       0.7897424 -0.8671112     1.385602  
1 1 1 4   15 41 f 41.38092 0.6999031 17.13658       0.5788355 17.46995       0.8376051 16.83184       0.8008270 0.7682419      1.399806  
1 1 1 4   15 42 f 59.29269 0.8716853 35.30906       1.017254  34.88243       1.581217  35.61032       1.328730  -0.6396980     1.743371  
1 1 1 4   15 43 o 65.12741 1.270357  42.62076       1.653676  40.66546       2.299669  44.71450       2.379685  -3.095421      2.540713  
1 1 1 4   15 44 f 52.38400 0.9743578 27.76176       0.9576826 28.19341       1.172248  26.89550       1.660652  1.302372       1.948716  
1 1 1 4   15 45 o 38.08760 0.7143788 14.49874       0.5431654 15.14206       0.7983247 13.94426       0.7411605 1.566525       1.428758  
1 1 1 4   15 46 o 73.44367 0.9131877 54.08730       1.340281  55.18715       1.941914  53.08678       1.852157  1.417542       1.826375  
1 1 1 4   15 47 f 15.08144 1.043160  2.285649       0.3132497 2.296003       0.4659083 2.277107       0.4231727 0.5498219E-01  2.086319  
1 1 1 4   15 48 o 51.74458 0.7777172 26.65372       0.8006192 28.78225       1.210076  24.99652       1.067730  3.638538       1.555434  
1 1 1 4   15 49 o 67.19361 1.095761  45.43054       1.455379  45.47757       2.235467  45.39594       1.917387  -0.4287720E-02 2.191523  
1 1 1 4   15 50 o 59.75746 1.105834  35.95444       1.321595  35.71922       1.859980  36.19431       1.878188  -0.3934937     2.211668  
1 1 1 4   15 51 o 16.32004 1.237195  2.693077       0.4025488 2.635902       0.5895799 2.743007       0.5509604 -0.3388042     2.474389  
1 1 1 4   15 52 o 16.64081 1.258800  2.793898       0.4183439 2.854045       0.6107911 2.740749       0.5741615 0.3300381      2.517601  
1 1 1 4   15 53 o 10.68592 1.826444  1.197182       0.3877742 1.484632       0.5764981 0.9596650      0.5240390 2.301415       3.652889  
1 1 1 4   15 54 o 48.24924 1.025303  23.44388       0.9892973 23.06442       1.387356  23.83644       1.411102  -0.7940865     2.050606  
1 1 1 4   16 0  o 209.7192 2.201046  440.2210       9.230889  444.5310       13.18018  436.0716       12.93224  2.012604       4.402092  
1 1 1 4   16 1  o 104.1906 1.142536  108.4636       2.378654  105.8408       3.280517  111.3711       3.454036  -2.652390      2.285073  
1 1 1 4   16 2  o 87.07986 0.9807383 75.82599       1.707733  76.80740       2.443900  74.88952       2.387292  1.100784       1.961477  
1 1 1 4   16 3  o 218.6676 2.293839  478.1216       10.02119  491.2874       14.57905  466.3297       13.79742  5.692352       4.587677  
1 1 1 4   16 4  o 405.9529 4.225721  1654.499       34.30507  1667.710       48.95050  1641.747       48.09033  3.168396       8.451442  
1 1 1 4   16 5  o 147.4613 1.570483  217.1449       4.624168  224.6873       6.775419  210.5684       6.326735  4.781647       3.140966  
1 1 1 4   16 6  o 345.3069 3.596189  1195.590       24.83143  1183.580       34.73077  1208.150       35.51630  -3.535278      7.192379  
1 1 1 4   16 7  o 248.2201 2.594009  616.7605       12.87255  626.7384       18.52085  607.4362       17.90388  3.875626       5.188018  
1 1 1 4   16 8  o 199.5157 2.095747  398.3764       8.361342  394.5977       11.70006  402.3206       11.95346  -1.931274      4.191494  
1 1 1 4   16 9  o 51.60200 0.6863304 26.62070       0.7081630 27.08585       1.014684  26.17897       0.9888047 0.8785858      1.372661  
1 1 1 4   16 10 o 52.47358 0.7010923 27.32488       0.7326003 29.89631       1.100196  25.27644       0.9819626 4.401402       1.402185  
1 1 1 4   16 11 o 118.7349 1.285975  140.8029       3.049680  136.7999       4.184247  145.3392       4.454199  -3.592957      2.571951  
1 1 1 4   16 12 o 142.7499 1.524814  203.7285       4.350376  208.2100       6.293236  199.6270       6.020542  3.002548       3.049627  
1 1 1 4   16 13 o 66.16301 0.8043190 43.29001       1.056115  40.04350       1.392308  47.68913       1.620725  -5.776176      1.608638  
1 1 1 4   16 14 o 34.94229 0.6232827 12.20786       0.4354307 12.66296       0.6207860 11.76712       0.6109167 1.281818       1.246565  
1 1 1 4   16 15 o 320.2700 3.606987  1030.392       22.89758  1023.463       34.72088  1035.724       30.46002  -2.070831      7.213974  
1 1 1 4   16 16 f 60.76267 1.127549  36.93064       1.370167  37.48559       1.949642  36.38908       1.925992  0.9020042      2.255099  
1 1 1 4   16 17 o 193.3711 2.890395  374.8884       11.17768  372.5087       15.70270  377.3327       15.91468  -1.240463      5.780790  
1 1 1 4   16 18 o 194.6005 2.657368  378.7786       10.09918  375.8464       12.93056  383.3651       16.17184  -1.829636      5.314736  
1 1 1 4   16 19 o 40.55635 0.6587986 16.25002       0.5310979 18.62770       0.8039817 14.40918       0.7074216 5.199986       1.317597  
1 1 1 4   16 20 o 119.9393 1.302890  143.6224       3.119522  138.8099       4.258022  149.1982       4.583249  -4.324356      2.605781  
1 1 1 4   16 21 o 182.7893 1.931346  334.3919       7.055437  327.4579       9.756987  341.9915       10.21452  -3.961304      3.862691  
1 1 1 4   16 22 o 79.76215 0.9284970 63.64636       1.481165  63.46378       2.089420  63.83082       2.099988  -0.2299118     1.856994  
1 1 1 4   16 23 o 55.90680 0.7453321 31.17661       0.8320002 32.81863       1.220398  29.75071       1.137249  2.742496       1.490664  
1 1 1 4   16 24 o 81.74838 0.9490356 66.78329       1.550252  68.77287       2.251038  64.98837       2.138094  2.312248       1.898071  
1 1 1 4   16 25 o 137.9718 1.484591  190.6615       4.096455  191.7339       5.826069  189.6128       5.761003  0.7661438      2.969181  
1 1 1 4   16 26 o 101.2460 1.128141  102.4499       2.281426  105.8124       3.330394  99.47673       3.131620  3.122009       2.256281  
1 1 1 4   16 27 o 152.5739 1.630440  233.3739       4.975250  233.3541       7.037862  233.3936       7.034270  -0.1316833E-01 3.260879  
1 1 1 4   16 28 o 12.16355 1.173835  1.585613       0.2540213 0.8438226      0.3563952 2.351574       0.3621549 -6.331610      2.347670  
1 1 1 4   16 29 o 58.76943 0.7652782 34.43343       0.8975466 32.63865       1.221093  36.54270       1.323759  -3.318119      1.530556  
1 1 1 4   16 30 o 84.00027 0.9736426 70.61757       1.635202  71.75228       2.348660  69.55009       2.278008  1.307686       1.947285  
1 1 1 4   16 31 o 80.26441 0.9449543 64.00578       1.508435  60.07846       2.008518  69.08672       2.284537  -5.598770      1.889909  
1 1 1 4   16 32 o 45.75910 0.6874452 20.93739       0.6286128 21.33646       0.9110453 20.57475       0.8684677 0.8307457      1.374890  
1 1 1 4   16 33 o 67.79305 0.9949750 46.75135       1.320620  50.29396       1.741372  41.95567       2.026070  6.165504       1.989950  
1 1 1 4   16 34 o 50.82594 0.9575258 25.85361       0.9727975 26.51052       1.404757  25.24829       1.348456  1.238262       1.915052  
1 1 1 4   16 35 o 60.42111 1.062865  36.50595       1.282427  38.04878       1.878011  35.15793       1.755438  2.383102       2.125730  
1 1 1 4   16 36 o 51.12614 0.9700068 25.98790       0.9873839 24.11525       1.321845  28.35172       1.485115  -4.131359      1.940014  
1 1 1 4   16 37 o 107.1001 1.455307  114.7065       2.928698  116.9492       5.129581  113.6219       3.567277  1.366005       2.910614  
1 1 1 4   16 38 o 48.65401 0.7230908 23.09733       0.6933188 27.41163       1.101510  20.26665       0.8922328 7.328663       1.446182  
1 1 1 4   16 39 o 47.77658 0.7211970 22.86419       0.6890196 22.58976       0.9790850 23.13344       0.9698226 -0.5696754     1.442394  
1 1 1 4   16 40 f 55.17787 0.9985052 30.36331       0.9916161 30.94293       1.875334  30.13835       1.168303  0.6543007      1.997010  
1 1 1 4   16 41 o 50.41579 1.150144  25.54091       1.158290  23.97040       1.631026  27.13885       1.645205  -3.140392      2.300287  
1 1 1 4   16 42 o 53.52641 0.7668415 28.59907       0.8193025 26.69489       1.118527  30.80344       1.203467  -3.829449      1.533683  
1 1 1 4   16 43 o 25.61224 0.7517661 6.551673       0.3839580 6.854732       0.5696884 6.299427       0.5197399 1.078955       1.503532  
1 1 1 4   16 44 o 22.10514 0.8016382 4.913201       0.3533652 4.563420       0.5057480 5.246825       0.4939292 -1.547173      1.603276  
1 1 1 4   16 45 f 18.84355 0.9026214 3.595466       0.3362553 2.998373       0.4788992 4.176081       0.4722444 -3.125854      1.805243  
1 1 1 4   16 46 o 19.55531 0.8725511 3.801022       0.3395563 4.335209       0.5085697 3.371351       0.4561121 2.456625       1.745102  
1 1 1 4   16 47 o 51.67600 0.8364609 26.50043       0.8469152 28.23752       1.358306  25.39560       1.083266  2.709221       1.672922  
1 1 1 4   16 48 f 70.05086 1.122079  49.46741       1.554068  48.90162       2.377180  49.88970       2.053703  -0.7722168     2.244157  
1 1 1 4   16 49 o 46.18681 0.9786280 21.36083       0.9020628 20.09622       1.228068  22.84265       1.329363  -2.953411      1.957256  
1 1 1 4   16 50 o 35.94477 0.9456511 12.98874       0.6797155 13.22261       0.9718390 12.76479       0.9510245 0.6324768      1.891302  
1 1 1 4   16 51 f 40.10109 0.9659629 16.14937       0.7740513 15.30937       1.071754  17.06527       1.119130  -2.179150      1.931926  
1 1 1 4   16 52 o 24.81993 1.020507  6.208951       0.5061451 5.950416       0.7187440 6.463291       0.7128865 -1.034641      2.041015  
1 1 1 4   16 53 f 62.73345 1.157023  39.67637       1.450566  38.67162       2.004230  40.78164       2.102088  -1.654022      2.314046  
1 1 1 4   17 0  o 337.8782 3.518566  1141.531       23.71925  1188.656       35.03175  1101.640       32.23116  12.80002       7.037131  
1 1 1 4   17 1  o 206.9072 2.172319  428.2790       8.984521  436.4683       12.96354  420.7096       12.46329  3.799652       4.344638  
1 1 1 4   17 2  o 174.5772 1.843392  304.4548       6.426528  295.6595       8.802938  314.4917       9.403752  -5.384933      3.686785  
1 1 1 4   17 3  o 138.4440 1.481110  191.3618       4.093785  185.4332       5.594073  198.1977       6.006923  -4.605103      2.962219  
1 1 1 4   17 4  o 64.56097 0.7935899 41.52915       1.022326  43.98906       1.509990  39.44725       1.389134  3.516670       1.587180  
1 1 1 4   17 5  o 113.1124 1.233223  126.8403       2.769523  119.0945       3.660845  137.2062       4.234977  -8.000160      2.466447  
1 1 1 4   17 6  f 113.9054 1.239803  129.6998       2.822841  132.4623       4.074815  127.1507       3.914225  2.329887       2.479605  
1 1 1 4   17 7  f 103.8466 1.146347  106.1600       2.350929  97.78490       3.047776  118.4639       3.694106  -9.949982      2.292694  
1 1 1 4   17 8  o 140.8137 1.506956  198.3998       4.243999  198.4952       5.999154  198.3042       6.004691  0.6790161E-01  3.013912  
1 1 1 4   17 9  o 193.7292 2.038979  374.1976       7.873145  358.5435       10.62125  393.2897       11.72971  -8.946945      4.077959  
1 1 1 4   17 10 o 161.6439 1.717560  261.4882       5.552536  260.7996       7.822142  262.1877       7.883158  -0.4283905     3.435119  
1 1 1 4   17 11 f 35.23438 0.6251326 12.38394       0.4398832 11.82845       0.6025702 13.01772       0.6436359 -1.687405      1.250265  
1 1 1 4   17 12 o 220.2782 2.822093  489.2301       11.83551  476.8294       19.95853  495.9561       14.69886  -4.491989      5.644186  
1 1 1 4   17 13 o 143.4779 2.180848  205.7129       6.247010  199.1555       8.535391  213.2778       9.167668  -4.906616      4.361695  
1 1 1 4   17 14 o 73.99554 1.268235  54.69947       1.874893  53.09705       2.580411  56.49149       2.728806  -2.291588      2.536470  
1 1 1 4   17 15 f 246.9153 3.177198  609.8428       14.71068  606.3893       17.89836  617.0329       25.82494  -1.866592      6.354396  
1 1 1 4   17 16 o 333.9312 3.483762  1119.371       23.25784  1103.028       32.36144  1136.830       33.44860  -5.014160      6.967523  
1 1 1 4   17 17 o 168.9967 1.791219  285.5306       6.046706  277.9155       8.307041  294.1123       8.818529  -4.779419      3.582439  
1 1 1 4   17 18 f 170.3004 1.805051  290.2502       6.144702  285.2313       8.524263  295.6792       8.865629  -3.058044      3.610102  
1 1 1 4   17 19 o 175.4720 1.856729  307.8973       6.507323  299.4422       8.929627  317.4722       9.502558  -5.120331      3.713459  
1 1 1 4   17 20 o 149.5690 1.597167  223.9497       4.776932  221.6389       6.682438  226.3645       6.831222  -1.575516      3.194334  
1 1 1 4   17 21 o 136.1995 1.465421  185.7359       3.991790  185.6122       5.642122  185.8599       5.648371  -0.9071350E-01 2.930842  
1 1 1 4   17 22 o 193.3862 2.041547  374.8441       7.893516  369.6009       10.99464  380.4215       11.33958  -2.781525      4.083094  
1 1 1 4   17 23 f 68.85550 0.8426492 47.23320       1.157064  50.02029       1.717808  44.91856       1.565454  3.701385       1.685298  
1 1 1 4   17 24 o 48.77371 0.6987178 23.78581       0.6814001 23.17296       0.9510379 24.43228       0.9767677 -1.290451      1.397436  
1 1 1 4   17 25 o 152.9558 1.635075  234.5226       5.001591  235.8674       7.119417  233.2121       7.028102  0.8630829      3.270151  
1 1 1 4   17 26 f 155.7390 1.663477  243.2029       5.181293  243.8479       7.350217  242.5658       7.304902  0.4089966      3.326953  
1 1 1 4   17 27 o 138.1866 1.489136  191.3670       4.114303  188.6245       5.733410  194.2786       5.907500  -2.035278      2.978271  
1 1 1 4   17 28 f 71.97237 0.8716812 51.50521       1.249018  55.38033       1.878811  48.43631       1.671981  4.816002       1.743362  
1 1 1 4   17 29 o 44.86106 0.6878074 20.05160       0.6157678 18.75417       0.8384458 21.57080       0.9072754 -3.137043      1.375615  
1 1 1 4   17 30 f 129.2047 1.972090  167.3615       5.083175  174.8809       7.516547  161.0245       6.900312  5.299866       3.944180  
1 1 1 4   17 31 o 74.63126 0.8973402 55.75073       1.339103  56.52131       1.918091  55.01802       1.870367  1.004822       1.794680  
1 1 1 4   17 32 o 83.48022 0.9742853 68.81527       1.609157  76.35654       2.507608  63.53580       2.098131  7.655632       1.948571  
1 1 1 4   17 33 o 102.9038 1.151569  106.1557       2.369872  106.5314       3.372702  105.7892       3.330702  0.3573227      2.303138  
1 1 1 4   17 34 o 27.94970 0.6859007 7.774133       0.3822258 8.415959       0.5683889 7.244276       0.5164361 2.093559       1.371801  
1 1 1 4   17 35 o 53.22113 0.7441300 28.33408       0.7913617 28.92664       1.148084  27.79769       1.092307  1.057404       1.488260  
1 1 1 4   17 36 o 50.69915 0.7394137 25.60535       0.7475193 27.46976       1.110840  24.06234       1.010565  3.354130       1.478827  
1 1 1 4   17 37 o 51.91600 0.8735154 27.30394       0.8888889 28.68214       1.164935  25.38322       1.375234  3.194427       1.747031  
1 1 1 4   17 38 f 57.04619 1.471292  0.000000       0.000000  ?              ?         32.64662       1.678632  ?              ?         
1 1 1 4   17 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   17 40 o 43.06905 0.8206097 18.69660       0.6874636 18.13022       1.100738  19.05879       0.8802500 -1.099472      1.641219  
1 1 1 4   17 41 o 51.43002 0.7567552 26.45385       0.7769643 27.32981       1.140612  25.69553       1.061261  1.581001       1.513510  
1 1 1 4   17 42 o 73.75899 0.9122054 54.41381       1.342523  56.89094       1.982062  52.31396       1.824890  3.083122       1.824411  
1 1 1 4   17 43 o 21.81754 1.510464  4.681674       0.6498996 5.912652       1.009698  3.810950       0.8491939 4.781509       3.020928  
1 1 1 4   17 44 o 52.58215 0.7770195 27.61031       0.8155216 25.65965       1.114374  29.85969       1.196661  -3.984165      1.554039  
1 1 1 4   17 45 o 85.37035 1.015770  73.04140       1.730546  76.19627       2.550954  70.35159       2.355445  3.389191       2.031540  
1 1 1 4   17 46 o 59.74552 0.8968202 35.47456       1.047239  37.51611       1.689371  34.20043       1.334604  2.718849       1.793640  
1 1 1 4   17 47 f 35.43987 0.8784771 12.47092       0.6152245 13.48416       0.9606318 11.76634       0.8010626 2.397690       1.756954  
1 1 1 4   17 48 o 13.31389 1.545250  1.988206       0.3720588 0.9597484      0.5381902 2.929656       0.5149219 -7.495438      3.090500  
1 1 1 4   17 49 o 26.03842 0.9847958 6.819060       0.5126179 6.878501       0.7374763 6.763492       0.7130433 0.2155552      1.969592  
1 1 1 4   17 50 o 21.21983 1.072574  4.540082       0.4546484 4.314486       0.6460295 4.761456       0.6399533 -1.054632      2.145148  
1 1 1 4   17 51 o 51.86567 1.043443  27.09423       1.082279  26.77027       1.518143  27.42903       1.543315  -0.6287804     2.086885  
1 1 1 4   17 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   17 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   18 0  o 243.8228 2.550430  595.3912       12.43524  590.0420       17.40965  600.9628       17.76801  -2.231201      5.100860  
1 1 1 4   18 1  o 306.7745 3.200089  942.7526       19.61871  923.6109       27.11195  963.7927       28.42468  -6.510712      6.400179  
1 1 1 4   18 2  f 172.3506 1.824176  297.1669       6.285570  302.0337       9.039875  292.6116       8.745698  2.728470       3.648351  
1 1 1 4   18 3  o 134.3987 1.442551  180.7075       3.877191  182.2258       5.528196  179.2376       5.439240  1.110519       2.885103  
1 1 1 4   18 4  f 183.5076 1.935966  336.9674       7.103144  332.5593       9.900910  341.6424       10.19633  -2.469467      3.871932  
1 1 1 4   18 5  o 155.1662 1.651905  240.7279       5.122841  246.4607       7.413291  235.4882       7.087283  3.530579       3.303810  
1 1 1 4   18 6  o 149.6731 1.595050  224.1553       4.774282  222.5869       6.697979  225.7751       6.807050  -1.063354      3.190100  
1 1 1 4   18 7  f 218.8307 2.295820  479.5876       10.04789  478.9251       14.19241  480.2534       14.22739  -0.3027039     4.591640  
1 1 1 4   18 8  f 282.5756 3.195726  798.3729       17.78756  815.2199       27.80028  786.6953       23.14542  4.892822       6.391452  
1 1 1 4   18 9  o 275.5197 4.085265  762.8987       22.50998  767.2142       32.04937  758.6972       31.62275  1.526978       8.170530  
1 1 1 4   18 10 o 240.9939 3.580725  582.9826       17.25565  589.0387       24.67982  577.1906       24.13564  2.436707       7.161449  
1 1 1 4   18 11 o 40.49044 1.012206  16.38255       0.8192123 17.14852       1.179400  15.66847       1.138751  1.827179       2.024413  
1 1 1 4   18 12 o 240.3015 3.113377  571.6733       13.81144  559.8378       16.51950  599.1598       25.17462  -7.867798      6.226754  
1 1 1 4   18 13 f 168.8035 1.789438  284.4471       6.026589  296.5612       8.902328  274.1986       8.188160  6.607819       3.578875  
1 1 1 4   18 14 o 253.0106 2.647913  641.3700       13.38980  628.8889       18.53019  655.0078       19.36978  -5.131165      5.295826  
1 1 1 4   18 15 o 124.3303 1.346648  154.6990       3.348578  154.9494       4.741187  154.4499       4.730042  0.2006226      2.693297  
1 1 1 4   18 16 o 118.4806 1.290523  140.4495       3.057410  138.9784       4.272493  141.9935       4.377064  -1.270226      2.581047  
1 1 1 4   18 17 o 190.0934 2.005800  360.8374       7.604198  346.9912       10.30051  377.4216       11.27311  -7.971283      4.011600  
1 1 1 4   18 18 o 154.7692 1.649681  239.8001       5.104910  236.6357       7.117316  243.1528       7.326076  -2.098907      3.299361  
1 1 1 4   18 19 o 63.88945 0.7978393 40.27154       1.010265  36.87188       1.324602  44.99924       1.562041  -6.356411      1.595679  
1 1 1 4   18 20 o 157.6526 1.679453  248.9114       5.293732  252.5644       7.601836  245.4720       7.376196  2.240555       3.358906  
1 1 1 4   18 21 o 146.2657 1.565971  214.0176       4.575622  208.3912       6.291246  220.3359       6.666893  -4.067947      3.131941  
1 1 1 4   18 22 o 73.19695 0.8755147 53.44696       1.278935  51.22739       1.740522  56.05182       1.885545  -3.291740      1.751029  
1 1 1 4   18 23 o 81.09912 0.9433897 65.82449       1.530152  65.99393       2.168591  65.65649       2.159363  0.2077637      1.886779  
1 1 1 4   18 24 o 81.04995 0.9469270 65.26363       1.526693  61.36150       2.035030  70.28697       2.308962  -5.497208      1.893854  
1 1 1 4   18 25 o 59.69599 0.7722282 35.65972       0.9219784 35.68118       1.304231  35.63829       1.303518  0.3590775E-01  1.544456  
1 1 1 4   18 26 o 66.14478 0.8276304 43.72411       1.093871  42.32143       1.508085  45.28138       1.589022  -2.234512      1.655261  
1 1 1 4   18 27 o 96.84846 1.091654  93.87627       2.113395  91.99987       2.931915  95.90567       3.049112  -2.010529      2.183308  
1 1 1 4   18 28 f 25.28379 0.6986498 6.370493       0.3514937 5.519264       0.4817316 7.339623       0.5140115 -3.598740      1.397300  
1 1 1 4   18 29 o 109.3266 1.213046  119.3180       2.644076  125.5111       3.930816  114.2003       3.573278  5.149742       2.426092  
1 1 1 4   18 30 o 10.99195 1.236530  1.252676       0.2600404 1.025766       0.3796955 1.453124       0.3568701 -2.104316      2.473059  
1 1 1 4   18 31 o 51.85793 0.7363137 26.49897       0.7570056 30.21670       1.168541  23.81044       0.9937164 6.168686       1.472627  
1 1 1 4   18 32 o 78.09989 0.9331586 61.09730       1.457509  61.46159       2.074476  60.74217       2.048233  0.4588623      1.866317  
1 1 1 4   18 33 o 86.88548 1.007105  75.14181       1.740814  80.38435       2.629621  71.05189       2.322627  5.348419       2.014210  
1 1 1 4   18 34 o 45.35464 0.7038469 20.58564       0.6381363 19.68744       0.8935403 21.52064       0.9116544 -2.019924      1.407694  
1 1 1 4   18 35 o 41.48539 0.6918166 17.19182       0.5730476 17.87971       0.8403491 16.59391       0.7834615 1.546249       1.383633  
1 1 1 4   18 36 o 67.81541 1.260288  46.11963       1.705921  47.31089       2.505448  45.09002       2.329248  1.615479       2.520575  
1 1 1 4   18 37 o 10.84130 1.805053  1.335381       0.4222461 1.918963       0.5393323 0.4112298      0.6786985 5.944599       3.610106  
1 1 1 4   18 38 o 32.96006 0.6934617 10.75668       0.4544272 12.11345       0.6892315 9.713312       0.6044053 3.634367       1.386923  
1 1 1 4   18 39 o 9.113583 1.479749  0.8816193      0.2654665 0.6974450      0.3868023 1.045615       0.3649985 -1.838984      2.959498  
1 1 1 4   18 40 o 43.34417 0.8264869 19.11857       0.7056294 21.39865       0.9595792 16.43392       1.041236  5.735924       1.652974  
1 1 1 4   18 41 o 66.68101 1.157090  44.69154       1.543073  45.02464       2.192450  44.36458       2.172162  0.4917297      2.314180  
1 1 1 4   18 42 o 56.41136 1.053563  31.79477       1.185051  29.77198       1.601544  34.24238       1.761714  -3.937725      2.107127  
1 1 1 4   18 43 o 66.90830 1.073598  44.90319       1.411844  45.45497       2.217769  44.52720       1.830735  0.6302032      2.147196  
1 1 1 4   18 44 o 50.32977 0.7696124 25.39417       0.7740114 25.63058       1.120531  25.17843       1.070422  0.4425392      1.539225  
1 1 1 4   18 45 o 71.20703 1.049512  50.98603       1.494296  50.84618       2.135098  51.12030       2.092066  -0.2004471     2.099024  
1 1 1 4   18 46 f 76.44466 1.289579  58.94698       1.971624  59.12891       2.790894  58.76572       2.785709  0.2363129      2.579159  
1 1 1 4   18 47 o 20.66786 1.073957  4.314419       0.4387276 3.507352       0.6114267 5.170976       0.6298943 -4.020756      2.147913  
1 1 1 4   18 48 o 19.51551 1.105263  3.796522       0.4286170 4.452368       0.6416528 3.268083       0.5759657 3.018286       2.210525  
1 1 1 4   18 49 o 30.71751 0.9663087 9.477612       0.5931633 9.814148       0.8605011 9.172925       0.8187727 1.034817       1.932617  
1 1 1 4   18 50 o 20.07483 1.566530  0.000000       0.000000  ?              ?         4.063318       0.6289564 ?              ?         
1 1 1 4   18 51 o 16.14842 2.004210  2.644411       0.6472967 2.644411       0.6472967 ?              ?         ?              ?         
1 1 1 4   18 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   19 0  o 120.1873 1.835923  143.9646       4.397507  137.5488       5.927114  151.8206       6.558775  -5.924957      3.671845  
1 1 1 4   19 1  o 136.4599 1.789012  186.7778       4.623337  185.1943       7.919914  187.5965       5.694287  -0.9221954     3.578025  
1 1 1 4   19 2  o 151.9865 1.619424  230.4135       4.909181  241.1765       7.272422  221.4032       6.653986  6.494156       3.238848  
1 1 1 4   19 3  f 179.6858 1.898313  323.0055       6.818114  329.5166       9.843646  317.0012       9.452766  3.474487       3.796626  
1 1 1 4   19 4  o 129.8078 1.399733  168.6030       3.633912  168.8674       5.147429  168.3403       5.130868  0.2027893      2.799466  
1 1 1 4   19 5  o 179.4453 2.336581  320.4069       7.820336  328.5226       13.91738  316.6619       9.454016  3.189651       4.673162  
1 1 1 4   19 6  o 140.4018 2.137605  197.4136       6.002349  196.7988       8.456547  198.0379       8.521028  -0.4396820     4.275210  
1 1 1 4   19 7  f 114.8828 1.788436  132.1143       4.109060  132.8096       5.841190  131.4330       5.781448  0.5978851      3.576872  
1 1 1 4   19 8  o 103.8210 1.414877  108.0646       2.766542  108.4673       3.387594  107.2581       4.793815  0.6061172      2.829754  
1 1 1 4   19 9  o 158.1606 1.682172  250.3363       5.319939  253.4474       7.618465  247.3755       7.432055  1.915573       3.364344  
1 1 1 4   19 10 o 87.40991 0.9959525 76.30672       1.739040  78.93786       2.535818  73.97054       2.389451  2.839417       1.991905  
1 1 1 4   19 11 o 52.59806 0.7158045 27.38179       0.7478265 25.33053       0.9893621 30.11577       1.142200  -4.547279      1.431609  
1 1 1 4   19 12 o 79.56315 0.9268362 62.44615       1.459757  57.56188       1.906495  69.36702       2.269430  -7.413498      1.853672  
1 1 1 4   19 13 o 54.15058 0.7365603 29.26204       0.7965311 28.12514       1.090891  30.56035       1.165763  -2.247665      1.473121  
1 1 1 4   19 14 o 51.39693 0.7106854 26.42324       0.7304872 26.45753       1.027212  26.38815       1.039019  0.6764984E-01  1.421371  
1 1 1 4   19 15 o 80.03153 0.9334248 63.81774       1.489787  67.44061       2.211038  60.80532       2.016173  4.142014       1.866850  
1 1 1 4   19 16 o 81.92436 0.9483156 66.74213       1.546766  63.10728       2.071525  71.32220       2.325322  -5.008652      1.896631  
1 1 1 4   19 17 f 149.1492 1.594794  222.8116       4.757139  223.7569       6.754763  221.8812       6.700781  0.6268463      3.189588  
1 1 1 4   19 18 o 45.32975 0.6793879 20.37188       0.6129369 18.71303       0.8191440 22.48229       0.9239329 -4.155846      1.358776  
1 1 1 4   19 19 o 58.65382 0.7630144 34.31103       0.8932923 32.79093       1.217253  36.08512       1.315016  -2.806110      1.526029  
1 1 1 4   19 20 o 84.38501 0.9742423 70.86095       1.637221  67.13131       2.196106  75.52736       2.456470  -4.967003      1.948485  
1 1 1 4   19 21 o 186.0343 1.970637  346.9685       7.325250  338.9858       10.10105  355.8237       10.63879  -4.490173      3.941273  
1 1 1 4   19 22 o 94.37590 1.064646  89.14090       2.009054  90.32632       2.879556  88.01656       2.804397  1.220917       2.129292  
1 1 1 4   19 23 o 129.1659 1.398825  167.1913       3.613365  166.0495       5.074770  168.3655       5.146118  -0.8925629     2.797649  
1 1 1 4   19 24 o 69.35255 0.8474828 48.14080       1.175492  48.20014       1.666209  48.08202       1.658611  0.8488464E-01  1.694966  
1 1 1 4   19 25 o 57.58803 0.7584541 33.12331       0.8724918 31.91216       1.198213  34.49026       1.272956  -2.235786      1.516908  
1 1 1 4   19 26 o 82.13646 0.9606506 67.54864       1.578052  67.82999       2.240955  67.27190       2.222564  0.3388519      1.921301  
1 1 1 4   19 27 o 156.7747 2.370438  245.9236       7.383540  232.1452       9.792913  264.0741       11.23978  -10.00171      4.740875  
1 1 1 4   19 28 o 70.03688 0.8605111 49.04426       1.204235  50.53878       1.749382  47.69822       1.660206  2.023674       1.721022  
1 1 1 4   19 29 o 77.34317 0.9237085 59.82752       1.427508  61.64730       2.074129  58.18973       1.967679  2.229332       1.847417  
1 1 1 4   19 30 o 51.00042 0.7320412 25.80348       0.7430158 23.69275       0.9926584 28.49280       1.120481  -4.699482      1.464082  
1 1 1 4   19 31 o 90.48190 1.042746  82.03690       1.886824  82.69753       2.690129  81.39722       2.647135  0.7154007      2.085493  
1 1 1 4   19 32 o 52.02023 0.7450819 26.72885       0.7695418 24.07715       1.016531  30.28854       1.177781  -5.960899      1.490164  
1 1 1 4   19 33 f 98.81068 1.215497  98.18558       2.379274  96.42813       3.605259  99.54154       3.166818  -1.620171      2.430993  
1 1 1 4   19 34 o 60.99139 1.203972  37.21016       1.466008  34.59232       2.008816  40.19303       2.144306  -4.576344      2.407944  
1 1 1 4   19 35 o 138.2450 1.870817  190.6374       4.778039  186.8219       5.721240  199.4335       8.686764  -3.998322      3.741633  
1 1 1 4   19 36 o 15.76863 0.9501158 2.480683       0.2986602 2.646462       0.4448988 2.344692       0.4029488 0.9526014      1.900232  
1 1 1 4   19 37 o 31.58688 0.7028534 9.994113       0.4434301 9.980666       0.6436648 10.00626       0.6117606 -0.4311371E-01 1.405707  
1 1 1 4   19 38 o 34.56816 0.7035204 11.86232       0.4839942 13.10981       0.7298515 10.88313       0.6466233 3.213367       1.407041  
1 1 1 4   19 39 o 89.34581 1.042976  79.76475       1.856559  84.47165       2.776007  75.95582       2.497209  4.726578       2.085953  
1 1 1 4   19 40 o 27.99264 0.7338622 7.861788       0.4101032 7.312531       0.5798616 8.411471       0.5800856 -1.962887      1.467724  
1 1 1 4   19 41 o 34.58219 0.7246442 11.95532       0.4996701 10.70311       0.6895642 13.33972       0.7250510 -3.808334      1.449288  
1 1 1 4   19 42 o 31.38952 0.7436019 9.862129       0.4662851 10.17530       0.6794840 9.583384       0.6410469 0.9383945      1.487204  
1 1 1 4   19 43 o 15.46024 1.050230  2.418083       0.3226133 2.151816       0.4635290 2.668244       0.4492923 -1.672771      2.100459  
1 1 1 4   19 44 o 48.51002 0.9363735 23.69169       0.9060851 24.69295       1.254732  22.60055       1.309840  2.165768       1.872747  
1 1 1 4   19 45 o 69.32062 1.202407  48.39503       1.666456  49.42524       2.395603  47.42909       2.319679  1.422676       2.404815  
1 1 1 4   19 46 o 29.04845 0.9475517 8.449164       0.5485893 7.513978       0.7531642 9.506011       0.8006570 -3.419846      1.895103  
1 1 1 4   19 47 o 47.09587 0.9842026 22.27763       0.9261698 23.19213       1.345834  21.45491       1.276517  1.829201       1.968405  
1 1 1 4   19 48 f 19.90078 1.975900  4.357986       0.6755406 1.774192       0.9231777 7.336317       0.9911581 -14.08431      3.951800  
1 1 1 4   19 49 o 71.88618 2.552392  52.81575       3.669635  52.81575       3.669635  ?              ?         ?              ?         
1 1 1 4   19 50 o 7.442047 1.874575  0.4208310      0.3564233 0.7702932      0.5635468 0.1878453      0.4601448 2.628967       3.749150  
1 1 1 4   19 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   20 0  o 264.3851 3.400255  700.3474       16.87706  706.4489       29.53589  697.3894       20.56509  1.330078       6.800511  
1 1 1 4   20 1  o 134.4303 2.904894  180.9935       7.810118  180.9935       7.810118  ?              ?         ?              ?         
1 1 1 4   20 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   20 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   20 4  o 145.6757 3.103605  212.6162       9.042395  212.6162       9.042395  ?              ?         ?              ?         
1 1 1 4   20 5  o 92.05102 1.266794  84.45446       2.197238  85.78584       3.825619  83.79906       2.684105  1.058563       2.533587  
1 1 1 4   20 6  o 110.9568 1.218577  122.7521       2.696801  128.9126       3.996284  117.6008       3.654321  5.091141       2.437154  
1 1 1 4   20 7  o 170.9607 1.812577  292.6212       6.196179  289.3239       8.653150  296.0910       8.876560  -1.972839      3.625155  
1 1 1 4   20 8  o 102.9955 1.142995  105.6059       2.345192  100.4647       3.152337  111.9782       3.509550  -5.582779      2.285991  
1 1 1 4   20 9  f 162.9413 1.731784  265.8660       5.643564  265.6293       7.970206  266.1041       7.992251  -0.1450806     3.463567  
1 1 1 4   20 10 o 149.8390 1.603507  224.2804       4.796476  232.8995       7.045571  216.8354       6.548188  5.346893       3.207014  
1 1 1 4   20 11 o 85.84579 0.9845998 73.59908       1.688394  76.32701       2.463368  71.18215       2.318694  2.993950       1.969200  
1 1 1 4   20 12 o 117.6312 1.284011  137.9315       3.010761  131.9484       4.063591  145.2132       4.482950  -5.627426      2.568023  
1 1 1 4   20 13 o 22.93037 0.7064450 5.244038       0.3181769 6.699042       0.4680572 3.994052       0.4338298 5.897749       1.412890  
1 1 1 4   20 14 o 55.39489 0.7376432 30.56158       0.8151775 32.62695       1.206277  28.82558       1.105920  3.429451       1.475286  
1 1 1 4   20 15 o 158.5432 1.689758  250.8534       5.340197  263.7338       7.950292  240.2645       7.208447  7.370499       3.379517  
1 1 1 4   20 16 o 86.31407 0.9895939 74.48402       1.707012  72.78371       2.359073  76.35273       2.473124  -2.064369      1.979188  
1 1 1 4   20 17 o 26.56272 0.6565928 7.003021       0.3474470 6.349672       0.4680993 7.804585       0.5184829 -2.737637      1.313186  
1 1 1 4   20 18 o 69.98015 0.8523727 48.97053       1.192505  50.23273       1.716421  47.79277       1.658009  1.741692       1.704745  
1 1 1 4   20 19 o 36.45651 0.6507527 13.27897       0.4739895 12.94116       0.6526509 13.65602       0.6895117 -0.9796028     1.301505  
1 1 1 4   20 20 o 15.49483 0.8645942 2.408695       0.2657628 2.029529       0.3712079 2.807420       0.3806611 -2.509869      1.729188  
1 1 1 4   20 21 o 25.57202 0.6767201 6.523596       0.3453289 5.943216       0.4755194 7.171242       0.5023197 -2.400356      1.353440  
1 1 1 4   20 22 o 122.9810 1.339529  151.5571       3.294218  149.9706       4.609865  153.2126       4.709178  -1.312157      2.679058  
1 1 1 4   20 23 o 95.58388 1.080359  91.50169       2.065278  91.18485       2.912888  91.82200       2.928665  -0.3324966     2.160718  
1 1 1 4   20 24 o 130.4666 1.415882  170.4700       3.690657  166.0672       5.081581  175.3849       5.369028  -3.550751      2.831764  
1 1 1 4   20 25 o 32.01478 0.8371448 10.25900       0.5359759 10.35110       0.7639838 10.16973       0.7521241 0.2827377      1.674290  
1 1 1 4   20 26 f 113.4271 1.251976  128.1672       2.826477  121.2949       3.780008  136.8826       4.256821  -6.838425      2.503952  
1 1 1 4   20 27 o 87.15181 1.010461  75.91840       1.758386  78.86322       2.577509  73.35474       2.404920  3.149971       2.020921  
1 1 1 4   20 28 o 79.73071 0.9447101 63.19199       1.498347  59.26498       1.997090  68.24917       2.266320  -5.616989      1.889420  
1 1 1 4   20 29 o 91.05338 1.044709  83.00031       1.900925  85.12067       2.756401  81.07726       2.625035  2.210732       2.089417  
1 1 1 4   20 30 o 6.236460 1.560870  0.2839853      0.2564034 0.5485013      0.3794010 0.6161385E-01  0.3478661 2.352394       3.121739  
1 1 1 4   20 31 f 28.40463 1.271475  8.097836       0.7214009 8.654547       1.029674  7.561125       1.011012  1.922770       2.542951  
1 1 1 4   20 32 o 21.86773 1.444925  4.805478       0.6316838 4.757057       0.8789816 4.857195       0.9084170 -0.2251949     2.889850  
1 1 1 4   20 33 f 20.68959 0.8195414 4.283518       0.3383962 3.906305       0.4702000 4.688818       0.4873918 -1.889685      1.639083  
1 1 1 4   20 34 f 87.70239 1.021163  77.13915       1.790975  76.01926       2.510637  78.29952       2.555606  -1.295181      2.042327  
1 1 1 4   20 35 f 27.08569 0.7253557 7.317274       0.3919374 7.785367       0.5801401 6.924230       0.5316016 1.585737       1.450711  
1 1 1 4   20 36 o 52.05008 0.7608255 27.09509       0.7908146 28.01508       1.157359  26.28938       1.083093  1.650951       1.521651  
1 1 1 4   20 37 o 63.14866 0.8337495 39.98190       1.052916  39.42937       1.490117  40.53286       1.487981  -0.8739510     1.667499  
1 1 1 4   20 38 f 50.69611 0.7533073 25.48524       0.7587402 28.11413       1.157271  23.50325       1.004843  4.531967       1.506615  
1 1 1 4   20 39 o 33.64610 0.7174897 11.34681       0.4821927 11.28882       0.6989496 11.39947       0.6660838 -0.1677818     1.434979  
1 1 1 4   20 40 o 23.28042 0.7930470 5.372198       0.3669718 6.018188       0.5579166 4.879600       0.4871956 2.437122       1.586094  
1 1 1 4   20 41 o 41.72866 1.209263  17.47590       1.002568  17.98722       1.516332  17.07875       1.336352  1.053173       2.418526  
1 1 1 4   20 42 o 43.46733 0.7457908 18.95115       0.6481386 18.41940       0.9175552 19.48070       0.9156607 -1.221046      1.491582  
1 1 1 4   20 43 o 42.10099 0.8530282 17.72316       0.7167648 18.84126       1.056177  16.76858       0.9758931 2.449375       1.706056  
1 1 1 4   20 44 o 35.63416 0.9116079 12.73630       0.6492025 13.36912       0.9384019 12.15541       0.8990818 1.696159       1.823216  
1 1 1 4   20 45 o 30.48539 0.9297189 9.334041       0.5666268 9.512100       0.8155333 9.167867       0.7878465 0.5594215      1.859438  
1 1 1 4   20 46 o 34.35320 1.148286  11.75783       0.7437995 12.32513       1.301945  11.48297       0.9062524 1.125210       2.296573  
1 1 1 4   20 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   20 48 o 22.78745 1.052705  5.203511       0.4783140 5.784841       0.7047845 4.707129       0.6512580 2.351044       2.105409  
1 1 1 4   20 49 o 11.44634 1.692819  1.354820       0.3836075 1.838229       0.5637371 0.9379535      0.5235006 4.019242       3.385638  
1 1 1 4   20 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   21 0  o 136.1385 1.814400  182.9147       4.551069  178.8196       5.432397  192.5546       8.334803  -4.958847      3.628800  
1 1 1 4   21 1  o 72.39612 0.8669066 52.35964       1.254155  54.12130       1.819957  50.76655       1.730694  2.315651       1.733813  
1 1 1 4   21 2  o 57.39809 0.7493557 32.63297       0.8550604 30.14978       1.135640  35.88341       1.299292  -4.992554      1.498711  
1 1 1 4   21 3  f 195.3469 2.060060  381.9231       8.040075  372.7750       11.07109  392.1320       11.69534  -4.932404      4.120121  
1 1 1 4   21 4  o 73.29271 0.8748040 53.73869       1.282329  53.96191       1.815005  53.51621       1.811974  0.3040161      1.749608  
1 1 1 4   21 5  o 144.0647 1.905861  203.8217       5.035852  197.9020       5.981253  218.2347       9.333048  -6.940338      3.811723  
1 1 1 4   21 6  o 123.7773 1.892516  153.4352       4.683153  150.9963       6.513677  156.0450       6.737974  -2.031166      3.785033  
1 1 1 4   21 7  o 77.32110 1.261648  59.56857       1.944991  63.21053       2.892762  56.56372       2.627586  4.291290       2.523297  
1 1 1 4   21 8  o 167.5238 2.512189  281.6253       8.414590  285.6735       12.07591  277.8047       11.73162  2.329865       5.024378  
1 1 1 4   21 9  o 74.07785 1.057482  55.68832       1.528216  51.08136       2.387657  58.88529       1.988998  -5.276756      2.114964  
1 1 1 4   21 10 o 118.8973 1.402455  141.9715       3.320131  136.4208       4.875090  146.7731       4.534172  -4.364662      2.804910  
1 1 1 4   21 11 o 98.84242 1.107241  97.57413       2.185144  94.41916       2.987429  101.2042       3.204497  -3.426315      2.214482  
1 1 1 4   21 12 o 100.8212 1.128951  101.6125       2.274251  104.6875       3.305487  98.84849       3.133919  2.890579       2.257902  
1 1 1 4   21 13 o 178.1416 1.888911  318.0349       6.725561  311.9894       9.314082  324.6213       9.721770  -3.523117      3.777821  
1 1 1 4   21 14 o 104.8391 1.162819  110.0068       2.437556  111.6230       3.495347  108.4767       3.401037  1.497093       2.325638  
1 1 1 4   21 15 o 130.3859 1.411538  170.3220       3.680892  170.5165       5.206990  170.1277       5.204145  0.1489563      2.823075  
1 1 1 4   21 16 o 159.1756 1.698073  253.8513       5.401848  248.6309       7.469563  259.5749       7.821304  -3.417358      3.396145  
1 1 1 4   21 17 f 89.56657 1.021158  80.28672       1.828905  81.37052       2.616772  79.25170       2.557182  1.180611       2.042315  
1 1 1 4   21 18 o 159.7440 1.705313  255.9247       5.446232  252.1199       7.578981  259.9872       7.831494  -2.444916      3.410626  
1 1 1 4   21 19 o 113.8072 1.251727  129.7695       2.849039  130.4777       4.046553  129.0734       4.011968  0.6150208      2.503453  
1 1 1 4   21 20 o 106.9173 1.184792  114.4313       2.531918  112.1449       3.506991  116.9205       3.659202  -2.225113      2.369584  
1 1 1 4   21 21 o 84.39829 0.9798694 71.20899       1.651996  69.12477       2.269891  73.55619       2.408846  -2.618790      1.959739  
1 1 1 4   21 22 o 42.80351 0.6864217 18.33135       0.5875164 18.21121       0.8218856 18.45688       0.8401631 -0.2863312     1.372843  
1 1 1 4   21 23 o 76.12778 1.247882  57.77723       1.892416  54.77824       2.542608  61.50175       2.833525  -4.396484      2.495765  
1 1 1 4   21 24 o 121.9478 1.334316  149.0767       3.253445  147.0508       4.537467  151.2204       4.667418  -1.700005      2.668633  
1 1 1 4   21 25 o 106.5205 1.187190  113.3005       2.521722  108.3985       3.411530  119.2049       3.744138  -5.048790      2.374379  
1 1 1 4   21 26 o 70.69798 0.8685780 49.90977       1.225649  52.25047       1.804506  47.90511       1.669961  3.065292       1.737156  
1 1 1 4   21 27 o 51.99897 0.7382962 27.02710       0.7670296 27.94901       1.115914  26.20144       1.056047  1.677280       1.476592  
1 1 1 4   21 28 o 104.4336 1.465520  107.8767       2.805531  113.7347       5.184635  105.4511       3.336173  3.770157       2.931041  
1 1 1 4   21 29 o 59.82355 1.205088  35.85952       1.440834  34.53561       1.993140  37.30865       2.085275  -2.308609      2.410177  
1 1 1 4   21 30 f 89.77426 1.291501  81.87169       2.203689  84.09911       2.741954  77.80833       3.703403  3.609947       2.583003  
1 1 1 4   21 31 o 54.84679 0.7730973 30.12596       0.8479601 29.78405       1.189366  30.47942       1.209275  -0.6324387     1.546195  
1 1 1 4   21 32 o 78.26326 0.9460157 61.00583       1.474061  65.59895       2.216847  57.36549       1.973570  5.236107       1.892031  
1 1 1 4   21 33 o 40.18464 0.7123671 16.16754       0.5724223 16.55885       0.8179626 15.79197       0.8013479 0.9529076      1.424734  
1 1 1 4   21 34 o 58.09995 0.7881871 33.80296       0.9155429 32.64195       1.277348  35.02957       1.312932  -2.051483      1.576374  
1 1 1 4   21 35 o 21.96472 0.8216193 4.895553       0.3552238 3.935399       0.5059552 5.828911       0.4988449 -4.311071      1.643239  
1 1 1 4   21 36 o 53.49234 0.7645045 28.54663       0.8153847 30.30813       1.212525  27.09246       1.101683  2.994373       1.529009  
1 1 1 4   21 37 f 41.75726 0.7175888 17.47710       0.5989913 17.27496       0.8578496 17.66942       0.8367479 -0.4744072     1.435178  
1 1 1 4   21 38 o 56.63418 0.7896575 32.15532       0.8942720 32.23305       1.277535  32.08062       1.252228  0.1316566      1.579315  
1 1 1 4   21 39 o 39.51570 0.7257028 15.60303       0.5720508 14.10353       0.7876351 17.27706       0.8322079 -4.010635      1.451406  
1 1 1 4   21 40 o 53.95416 1.118722  29.45430       1.163716  28.63824       1.905872  29.93941       1.469445  -1.287910      2.237443  
1 1 1 4   21 41 o 47.14590 0.8128918 22.23593       0.7615020 21.75732       1.015536  22.85073       1.150991  -1.140209      1.625784  
1 1 1 4   21 42 o 34.97183 0.8848174 12.27189       0.6171851 13.54434       0.8866627 11.07586       0.8596281 3.524921       1.769635  
1 1 1 4   21 43 o 28.26941 0.9252944 8.006024       0.5223225 8.630168       0.7611729 7.450578       0.7180620 2.078512       1.850589  
1 1 1 4   21 44 f 45.50267 1.177030  21.01630       1.019228  20.39031       1.717237  21.35675       1.266415  -1.169220      2.354061  
1 1 1 4   21 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   21 46 o 20.71459 1.063727  4.297285       0.4390439 4.605226       0.6565063 4.048131       0.5905255 1.328735       2.127454  
1 1 1 4   21 47 o 17.72445 1.203717  3.167516       0.4259191 3.267462       0.6251090 3.080911       0.5818915 0.5133591      2.407433  
1 1 1 4   21 48 o 5.535962 1.694446  -0.5382675E-01 0.3416041 -0.1400541E-01 0.5235181 -0.8335368E-01 0.4507990 0.6150460      3.388891  
1 1 1 4   22 0  o 137.2835 1.477419  188.7355       4.056503  188.8726       5.739192  188.5985       5.734334  0.9967041E-01  2.954837  
1 1 1 4   22 1  f 145.1256 1.557838  210.1693       4.508128  220.6407       6.693882  201.4776       6.098537  6.580704       3.115676  
1 1 1 4   22 2  o 48.65296 0.6968762 23.58364       0.6763212 22.42843       0.9167848 24.96299       1.001782  -2.603352      1.393752  
1 1 1 4   22 3  o 139.8620 1.503272  194.9527       4.187943  185.9367       5.626797  206.1503       6.270676  -7.203110      3.006544  
1 1 1 4   22 4  o 43.14038 0.6680845 18.35977       0.5719923 16.58215       0.7540450 20.76894       0.8778312 -4.850494      1.336169  
1 1 1 4   22 5  o 57.70942 0.7539034 33.31779       0.8701330 33.43095       1.228525  33.20388       1.232593  0.1968117      1.507807  
1 1 1 4   22 6  o 123.7778 1.345561  152.9324       3.322767  160.0174       4.911856  146.9546       4.511797  5.262543       2.691122  
1 1 1 4   22 7  o 22.20989 0.7005315 4.949219       0.3102348 5.209438       0.4302374 4.667369       0.4477639 1.220669       1.401063  
1 1 1 4   22 8  o 74.16258 0.8845685 54.88517       1.309185  52.88165       1.782077  57.23425       1.929649  -2.930687      1.769137  
1 1 1 4   22 9  o 134.7319 1.455421  181.8413       3.921360  180.6228       5.495994  183.1048       5.596657  -0.9165649     2.910841  
1 1 1 4   22 10 o 84.86783 1.172391  73.17580       1.933228  77.08585       2.495712  67.30985       3.056840  5.780479       2.344782  
1 1 1 4   22 11 o 57.34578 1.019776  32.88540       1.168686  32.14855       1.614848  33.69578       1.693499  -1.346367      2.039551  
1 1 1 4   22 12 o 81.81292 1.319528  67.02145       2.158591  68.14830       3.093586  65.95225       3.013409  1.338516       2.639055  
1 1 1 4   22 13 o 118.3683 1.815301  140.4552       4.294702  143.7202       6.210001  137.4622       5.945856  2.626442       3.630602  
1 1 1 4   22 14 o 41.38371 0.7681972 17.11883       0.6184875 17.21601       0.9993582 17.05850       0.7873989 0.1840630      1.536394  
1 1 1 4   22 15 o 36.16460 0.6463562 13.08559       0.4674007 13.09696       0.6542990 13.07375       0.6679202 0.3246689E-01  1.292712  
1 1 1 4   22 16 o 74.38177 0.8885856 55.38149       1.321874  55.36385       1.864547  55.39932       1.874316  -0.2346039E-01 1.777171  
1 1 1 4   22 17 o 69.69970 0.8499221 48.27283       1.178748  45.32941       1.573399  52.03822       1.779581  -4.804642      1.699844  
1 1 1 4   22 18 f 70.29192 0.8576953 49.41749       1.204974  48.40215       1.667800  50.52626       1.742859  -1.507851      1.715391  
1 1 1 4   22 19 o 121.6231 1.330354  147.6573       3.224651  141.1756       4.346949  155.5889       4.808610  -5.894485      2.660708  
1 1 1 4   22 20 o 88.88310 1.020731  79.10993       1.814201  78.34708       2.537744  79.90732       2.594534  -0.8746262     2.041461  
1 1 1 4   22 21 o 9.243129 1.562187  0.8997904      0.2859046 0.7537962      0.4162883 1.030137       0.3933468 -1.415464      3.124373  
1 1 1 4   22 22 f 71.68835 0.8742334 51.41366       1.252754  52.67724       1.808721  50.24858       1.736790  1.690300       1.748467  
1 1 1 4   22 23 o 17.84934 0.8256510 3.180202       0.2939323 3.533555       0.4276088 2.863691       0.4047024 1.875256       1.651302  
1 1 1 4   22 24 o 65.68731 0.8308876 43.00661       1.088278  45.73134       1.617677  40.75394       1.470888  3.780231       1.661775  
1 1 1 4   22 25 f 137.0354 1.841204  188.7988       4.726490  189.7609       8.296646  188.3365       5.750954  0.1966553      3.682408  
1 1 1 4   22 26 o 50.26896 1.144415  25.24214       1.148353  23.53218       1.569142  27.21411       1.685080  -3.652302      2.288830  
1 1 1 4   22 27 o 46.59360 0.9495254 21.70321       0.8025568 21.63211       0.9514343 21.87859       1.494261  -0.2231064     1.899051  
1 1 1 4   22 28 o 64.23057 0.8257770 41.15842       1.058182  39.04051       1.436046  43.67468       1.565283  -3.598133      1.651554  
1 1 1 4   22 29 o 53.18937 0.7565703 28.32828       0.8046922 28.68361       1.151012  27.98857       1.125433  0.6515007      1.513141  
1 1 1 4   22 30 f 79.23570 0.9509546 62.82550       1.504917  60.70142       2.063443  65.23920       2.199626  -2.850021      1.901909  
1 1 1 4   22 31 o 68.69381 0.8713265 47.15011       1.194626  49.52599       1.759780  45.11938       1.626941  3.195023       1.742653  
1 1 1 4   22 32 o 65.41455 0.8469122 42.88890       1.107986  42.65132       1.560922  43.13017       1.573004  -0.3648376     1.693824  
1 1 1 4   22 33 o 55.64407 0.7905883 30.85848       0.8772354 28.77050       1.186609  33.37500       1.302698  -4.126148      1.581177  
1 1 1 4   22 34 o 13.37049 1.157714  1.818366       0.3054876 1.518616       0.4398451 2.097706       0.4246071 -2.167847      2.315428  
1 1 1 4   22 35 o 12.51899 1.348231  1.819856       0.2917991 0.7107002      0.4250626 2.808442       0.4012949 -8.432521      2.696462  
1 1 1 4   22 36 o 26.37009 0.7508025 6.964257       0.3957344 7.119089       0.5718014 6.821918       0.5482473 0.5609303      1.501605  
1 1 1 4   22 37 o 27.19723 0.7575416 7.405037       0.4077142 6.032102       0.5612609 8.938976       0.5932586 -5.340534      1.515083  
1 1 1 4   22 38 o 33.70798 0.7324685 11.40600       0.4926866 10.51272       0.6961504 12.30244       0.6973794 -2.654594      1.464937  
1 1 1 4   22 39 o 48.44234 0.8596071 23.83520       0.8185270 21.79628       1.247742  25.37550       1.084494  -3.718666      1.719214  
1 1 1 4   22 40 o 25.65810 0.8854902 6.616980       0.4514501 6.679771       0.6065335 6.538984       0.6759936 0.2852116      1.770980  
1 1 1 4   22 41 o 25.09656 0.9411073 6.331727       0.4720255 6.457043       0.6593124 6.199950       0.6760938 0.5151558      1.882215  
1 1 1 4   22 42 f 27.55757 1.324633  0.000000       0.000000  ?              ?         7.631735       0.7300734 ?              ?         
1 1 1 4   22 43 o 39.07070 2.022064  15.45621       1.580069  15.45621       1.580069  ?              ?         ?              ?         
1 1 1 4   22 44 o 47.37642 0.9930143 22.57856       0.9407927 22.87077       1.343484  22.29740       1.317850  0.5995178      1.986029  
1 1 1 4   22 45 o 37.49921 0.9634485 14.09116       0.7211277 15.22171       1.058710  13.11268       0.9849391 2.795601       1.926897  
1 1 1 4   22 46 o 50.64788 1.021992  25.82499       1.034865  26.65220       1.486504  25.04703       1.441572  1.573044       2.043983  
1 1 1 4   22 47 o 56.35049 1.084467  31.95544       1.221017  33.36652       1.774986  30.68787       1.682298  2.352093       2.168934  
1 1 1 4   23 0  o 141.7056 1.523405  201.2232       4.317445  201.9405       6.124665  200.5146       6.087088  0.5012817      3.046810  
1 1 1 4   23 1  o 47.08242 0.6878108 22.16069       0.6472786 21.73570       0.8967384 22.62297       0.9352565 -0.9413986     1.375622  
1 1 1 4   23 2  f 189.0435 2.001086  358.6727       7.565474  360.7962       10.76362  356.5993       10.63591  1.101700       4.002173  
1 1 1 4   23 3  o 86.75684 0.9944820 75.33656       1.725557  75.58260       2.443301  75.09171       2.437322  0.2827148      1.988964  
1 1 1 4   23 4  o 60.46195 0.7752391 36.16076       0.9312510 40.26778       1.420348  33.06404       1.233339  5.952423       1.550478  
1 1 1 4   23 5  o 120.8758 1.317911  146.3514       3.186061  146.3973       4.500906  146.3053       4.510649  0.3848267E-01  2.635821  
1 1 1 4   23 6  f 112.9568 1.240917  127.7386       2.802582  126.0948       3.907450  129.4801       4.021928  -1.493629      2.481833  
1 1 1 4   23 7  o 138.2177 1.489434  190.4378       4.099247  181.2620       5.496862  201.9344       6.152865  -7.444229      2.978868  
1 1 1 4   23 8  o 45.72982 0.6878452 20.92316       0.6290488 21.24936       0.8901322 20.59773       0.8890876 0.7124557      1.375690  
1 1 1 4   23 9  o 80.73215 0.9419122 65.23855       1.520794  65.13474       2.140657  65.34435       2.160942  -0.1290894     1.883824  
1 1 1 4   23 10 o 80.72966 0.9441863 65.19627       1.523853  66.75687       2.193809  63.74127       2.118282  1.864784       1.888373  
1 1 1 4   23 11 o 132.2955 1.432621  175.3345       3.788374  179.0346       5.471292  171.9268       5.250656  2.672577       2.865243  
1 1 1 4   23 12 o 187.6095 1.990934  353.6346       7.468420  349.4362       10.42130  358.0674       10.70843  -2.274719      3.981867  
1 1 1 4   23 13 o 91.17047 1.039756  83.11893       1.894025  85.78246       2.754096  80.72882       2.608908  2.764641       2.079512  
1 1 1 4   23 14 o 61.16018 0.9302636 38.11084       1.115566  41.93282       1.488754  33.21692       1.684642  7.133907       1.860527  
1 1 1 4   23 15 o 48.96563 0.8352478 24.02821       0.7869991 24.10548       0.9874682 23.89366       1.302986  0.2290573      1.670496  
1 1 1 4   23 16 o 95.51656 1.505901  91.52970       2.876595  91.14929       4.042523  91.91991       4.094210  -0.3994064     3.011802  
1 1 1 4   23 17 f 51.51835 0.9604884 26.46702       0.9867838 25.19556       1.335053  27.99810       1.465031  -2.713287      1.920977  
1 1 1 4   23 18 o 104.3829 1.626714  109.0704       3.387530  104.9778       4.599572  113.9217       5.007803  -4.247902      3.253429  
1 1 1 4   23 19 o 58.22940 0.9242547 32.98197       1.008877  36.71235       1.810881  31.30301       1.214882  4.613701       1.848509  
1 1 1 4   23 20 o 34.28133 0.6810583 11.65485       0.4648193 10.45359       0.6245319 13.14660       0.6959614 -3.924831      1.362117  
1 1 1 4   23 21 o 108.6526 1.210356  117.7931       2.619973  124.8774       3.918907  112.0677       3.523032  5.862289       2.420713  
1 1 1 4   23 22 o 101.4147 1.415771  103.6439       2.701914  102.1121       4.678759  104.4104       3.309543  -1.266991      2.831542  
1 1 1 4   23 23 o 9.025768 2.262793  0.6005661      0.5375258 0.1432866      0.7270051 1.151995       0.7983462 -3.380345      4.525586  
1 1 1 4   23 24 o 94.59149 1.340618  90.14293       2.387326  90.76411       2.924991  88.90341       4.131790  1.108330       2.681237  
1 1 1 4   23 25 o 55.30973 0.7676656 30.43182       0.8460160 28.33171       1.137960  33.02696       1.264991  -4.236347      1.535331  
1 1 1 4   23 26 o 92.22186 1.060240  85.28834       1.955529  85.04730       2.758665  85.53177       2.772458  -0.2613678     2.120479  
1 1 1 4   23 27 o 29.76955 0.7086052 8.869085       0.4217496 8.563541       0.5887570 9.191126       0.6044402 -1.052984      1.417210  
1 1 1 4   23 28 f 68.13678 0.8639322 46.27876       1.173120  49.42614       1.751545  43.71834       1.579800  4.173019       1.727864  
1 1 1 4   23 29 o 35.00829 0.7121608 12.25369       0.4980559 11.47003       0.6899161 13.10657       0.7197453 -2.335079      1.424322  
1 1 1 4   23 30 o 63.70810 0.8375041 40.55535       1.065098  42.67410       1.566338  38.73305       1.452631  3.082119       1.675008  
1 1 1 4   23 31 o 46.30729 0.7387372 21.45882       0.6837485 20.75339       0.9468330 22.22761       0.9884415 -1.588013      1.477474  
1 1 1 4   23 32 o 86.31747 1.021860  74.77793       1.763787  75.67281       2.522738  73.92220       2.466941  1.006592       2.043721  
1 1 1 4   23 33 o 50.12459 0.7647118 25.12107       0.7655737 26.34189       1.118955  24.04664       1.049727  2.282349       1.529424  
1 1 1 4   23 34 o 33.43265 0.7348235 11.11742       0.4893375 9.914544       0.6619398 12.56690       0.7266307 -3.960014      1.469647  
1 1 1 4   23 35 o 33.17659 0.7222854 10.98099       0.4777346 11.63461       0.7109229 10.44280       0.6451005 1.789185       1.444571  
1 1 1 4   23 36 o 31.52840 0.7327473 9.964798       0.4612790 9.947240       0.6716737 9.980472       0.6345981 -0.5691719E-01 1.465495  
1 1 1 4   23 37 o 48.24424 0.7567056 23.21383       0.7277179 24.88263       1.084477  21.84689       0.9815072 3.132793       1.513411  
1 1 1 4   23 38 o 32.11689 0.8705415 10.43504       0.5370395 10.05620       0.8852686 10.65565       0.6755413 -0.9650040     1.741083  
1 1 1 4   23 39 o 28.72516 0.8761796 8.404238       0.4957546 9.297720       0.6706135 7.327534       0.7361685 3.439636       1.752359  
1 1 1 4   23 40 o 16.90893 2.659540  4.329328       0.6237627 0.5293840      2.082108  4.703997       0.6537909 -9.423229      5.319081  
1 1 1 4   23 41 o 37.72386 1.337861  14.30385       1.009385  14.30385       1.009385  ?              ?         ?              ?         
1 1 1 4   23 42 o 46.44506 0.9845505 21.69565       0.9143170 21.36280       1.275620  22.04731       1.311193  -0.7290726     1.969101  
1 1 1 4   23 43 o 17.87516 1.166369  3.218206       0.4142251 3.261318       0.6244476 3.184329       0.5535458 0.1968899      2.332738  
1 1 1 4   23 44 o 36.18502 0.9342628 13.16752       0.6760350 13.42265       0.9652582 12.92188       0.9471158 0.6878967      1.868526  
1 1 1 4   23 45 o 34.13659 0.9422398 11.67692       0.6419495 12.64322       0.9432174 10.84308       0.8761909 2.620964       1.884480  
1 1 1 4   23 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   24 0  o 85.11612 0.9813286 72.47278       1.669729  74.29829       2.407643  70.78121       2.317634  2.062393       1.962657  
1 1 1 4   24 1  o 80.89690 0.9429780 64.97371       1.516288  60.96310       2.013744  70.22468       2.304196  -5.712845      1.885956  
1 1 1 4   24 2  o 114.6641 1.258032  131.6083       2.883029  134.8206       4.172050  128.6724       3.988573  2.671143       2.516064  
1 1 1 4   24 3  o 10.33414 1.220352  1.110479       0.2412594 1.326339       0.3335713 0.8736994      0.3493607 2.350326       2.440703  
1 1 1 4   24 4  o 50.04307 0.7046112 24.77374       0.7002794 22.75698       0.9257774 27.47099       1.070628  -4.705471      1.409222  
1 1 1 4   24 5  o 35.65313 0.6573969 12.68956       0.4678680 13.85264       0.6780562 11.63252       0.6464083 3.112564       1.314794  
1 1 1 4   24 6  f 85.33640 0.9845505 72.87686       1.679656  71.74500       2.335272  74.08997       2.417653  -1.370300      1.969101  
1 1 1 4   24 7  o 21.79783 0.7224190 4.741256       0.3143811 4.539838       0.4292050 4.974411       0.4617846 -0.9957561     1.444838  
1 1 1 4   24 8  o 83.97550 0.9756165 69.93777       1.627700  76.29665       2.481682  65.13709       2.156293  6.629883       1.951233  
1 1 1 4   24 9  o 111.8495 1.234011  125.3092       2.759569  123.5883       3.844312  127.1386       3.963666  -1.580124      2.468022  
1 1 1 4   24 10 o 145.3518 1.563866  211.6884       4.541206  217.9195       6.611703  206.1237       6.248176  4.030075       3.127733  
1 1 1 4   24 11 o 66.77905 0.8298320 44.24735       1.101509  41.31643       1.462608  48.08810       1.674304  -5.061386      1.659664  
1 1 1 4   24 12 o 36.64173 0.6652588 13.36946       0.4858065 15.05940       0.7127327 11.90303       0.6639289 4.305386       1.330518  
1 1 1 4   24 13 o 101.1589 1.137459  102.5216       2.301034  101.9215       3.226763  103.1427       3.282255  -0.6002350     2.274919  
1 1 1 4   24 14 f 38.84926 0.6651003 15.10314       0.5165799 15.65538       0.7337393 14.56039       0.7274106 1.409042       1.330201  
1 1 1 4   24 15 o 51.43103 0.7291659 26.47293       0.7499959 26.85382       1.063709  26.09639       1.057626  0.7361069      1.458332  
1 1 1 4   24 16 o 66.15728 1.131378  43.85482       1.496783  43.50464       2.096774  44.21868       2.137349  -0.5369568     2.262756  
1 1 1 4   24 17 o 135.4550 1.469819  184.0160       3.978794  179.9953       5.498219  188.4363       5.764984  -3.090897      2.939638  
1 1 1 4   24 18 o 67.84337 0.8495901 45.88157       1.149170  43.57610       1.552158  48.67834       1.709565  -3.751114      1.699180  
1 1 1 4   24 19 f 67.43387 1.143483  45.06264       1.496504  47.73793       2.462126  43.49526       1.884570  3.099594       2.286966  
1 1 1 4   24 20 o 99.89402 2.317626  100.3255       4.630338  100.3255       4.630338  ?              ?         ?              ?         
1 1 1 4   24 21 o 51.12746 1.368534  26.19341       1.399394  26.19341       1.399394  ?              ?         ?              ?         
1 1 1 4   24 22 o 54.13471 0.9990638 29.37253       1.081641  29.22687       1.521838  29.52123       1.537626  -0.2705803     1.998128  
1 1 1 4   24 23 o 99.68475 1.567614  99.96669       3.125324  100.2547       4.429607  99.68121       4.410207  0.2850266      3.135228  
1 1 1 4   24 24 o 50.20803 0.8601438 25.17966       0.8350474 25.56105       1.373532  24.95604       1.051736  0.5769234      1.720288  
1 1 1 4   24 25 o 5.281741 1.541499  0.7163219E-01  0.2636389 0.1362312      0.3940895 0.1930201E-01  0.3546973 0.6681232      3.082999  
1 1 1 4   24 26 f 48.66322 0.7404301 23.64877       0.7195441 25.14624       1.052488  22.33466       0.9859461 2.883640       1.480860  
1 1 1 4   24 27 o 42.56747 0.7225045 18.14252       0.6149877 17.79460       0.8597252 18.50711       0.8800800 -0.8353233     1.445009  
1 1 1 4   24 28 o 6.368433 1.634989  0.3359091      0.2691095 0.3025315      0.3980945 0.3639968      0.3651879 -0.1334696     3.269977  
1 1 1 4   24 29 o 23.96565 0.7790389 5.713757       0.3720404 6.337897       0.5541449 5.201554       0.5020006 2.365755       1.558078  
1 1 1 4   24 30 o 19.05878 0.8853734 3.666632       0.3352704 3.327904       0.4868782 3.972102       0.4623593 -1.692863      1.770747  
1 1 1 4   24 31 o 39.59771 0.7255996 15.70129       0.5744541 15.27167       0.8004503 16.15757       0.8249030 -1.116215      1.451199  
1 1 1 4   24 32 o 75.08669 0.9306132 56.57332       1.397517  56.36838       1.970626  56.78068       1.982201  -0.2730408     1.861226  
1 1 1 4   24 33 o 64.24393 0.8498494 41.33362       1.090976  42.86211       1.584458  39.95569       1.504398  2.252064       1.699699  
1 1 1 4   24 34 o 51.17472 0.7830799 26.25959       0.8014278 26.02670       1.136132  26.49024       1.130668  -0.4535599     1.566160  
1 1 1 4   24 35 o 67.61078 0.9416116 46.00688       1.267403  47.06060       1.723504  44.76612       1.870229  1.720192       1.883223  
1 1 1 4   24 36 o 69.44214 0.8940188 48.36010       1.240303  49.51759       1.804415  47.32338       1.707685  1.564651       1.788038  
1 1 1 4   24 37 o 54.53902 1.215963  29.79997       1.307874  30.94816       2.042700  29.00226       1.702623  1.710354       2.431926  
1 1 1 4   24 38 o 41.93256 3.105041  18.03962       2.604046  18.03962       2.604046  ?              ?         ?              ?         
1 1 1 4   24 39 o 42.17108 0.9509386 17.85026       0.8014039 17.27034       1.106670  18.48969       1.162071  -1.435207      1.901877  
1 1 1 4   24 40 o 53.10339 1.033847  28.23660       1.094670  30.31626       1.627673  26.51915       1.479157  3.541676       2.067693  
1 1 1 4   24 41 o 56.11355 1.063118  31.68714       1.192608  32.45759       1.717260  30.96936       1.657531  1.312099       2.126236  
1 1 1 4   24 42 o 36.85816 0.9548230 13.63023       0.7029206 12.81035       0.9668229 14.54957       1.023780  -2.346790      1.909646  
1 1 1 4   24 43 o 53.09504 1.036279  28.39770       1.100260  28.90052       1.572509  27.91546       1.540006  0.9191780      2.072558  
1 1 1 4   24 44 f 12.93054 1.525685  1.680934       0.3785856 2.258740       0.5843325 1.262924       0.4970073 4.000536       3.051371  
1 1 1 4   25 0  f 102.1651 1.140011  103.9142       2.317855  98.43871       3.097974  110.8769       3.493423  -6.065193      2.280021  
1 1 1 4   25 1  o 108.2931 1.200784  117.4820       2.600330  119.0325       3.717548  115.9966       3.638568  1.397026       2.401567  
1 1 1 4   25 2  f 65.22800 0.8148694 42.37191       1.059384  40.13726       1.427825  45.10867       1.580113  -3.804626      1.629739  
1 1 1 4   25 3  o 78.72499 0.9278753 61.56224       1.453090  66.68569       2.198165  57.58571       1.936563  5.767387       1.855751  
1 1 1 4   25 4  o 101.5961 1.135228  103.3821       2.306136  102.2365       3.219539  104.5892       3.304873  -1.152954      2.270457  
1 1 1 4   25 5  o 95.65215 1.081403  91.54726       2.067115  94.12354       2.997070  89.20976       2.854801  2.560585       2.162806  
1 1 1 4   25 6  o 92.89452 1.056277  86.42644       1.962306  87.34628       2.795657  85.53313       2.755029  0.9736633      2.112554  
1 1 1 4   25 7  o 147.5824 1.587373  217.9272       4.672719  209.5950       6.335330  227.8674       6.919719  -6.140991      3.174746  
1 1 1 4   25 8  f 107.9241 1.198676  116.6943       2.586578  115.2432       3.606797  118.2307       3.711394  -1.377258      2.397352  
1 1 1 4   25 9  o 88.70821 1.020955  78.69685       1.809408  81.36220       2.634041  76.31539       2.489823  2.836540       2.041909  
1 1 1 4   25 10 o 37.02355 0.6664401 13.65780       0.4919790 12.99929       0.6649804 14.45413       0.7312596 -1.962276      1.332880  
1 1 1 4   25 11 o 90.40363 1.036734  81.85273       1.874105  81.00003       2.618955  82.74763       2.682974  -0.9627228     2.073468  
1 1 1 4   25 12 o 32.49873 0.6655903 10.52579       0.4316146 9.931103       0.5865316 11.22817       0.6374305 -1.993519      1.331181  
1 1 1 4   25 13 o 50.83125 0.9654221 25.87070       0.9812520 26.56169       1.404263  25.21137       1.371709  1.326206       1.930844  
1 1 1 4   25 14 o 59.55027 0.7843935 35.45333       0.9332004 34.46383       1.284006  36.56121       1.358644  -1.757000      1.568787  
1 1 1 4   25 15 o 20.89545 1.115915  4.449695       0.4028997 4.232116       0.7979853 4.524137       0.4667620 -0.7236729     2.231830  
1 1 1 4   25 16 o 36.95720 1.116435  13.32934       0.8141816 11.16834       1.057649  16.47267       1.275583  -7.159260      2.232870  
1 1 1 4   25 17 o 39.33515 1.092723  15.50194       0.8584828 15.34816       1.181044  15.67421       1.250048  -0.4089355     2.185446  
1 1 1 4   25 18 o 83.73254 0.9822339 70.26111       1.644858  70.07088       2.316773  70.45444       2.335703  -0.2275772     1.964468  
1 1 1 4   25 19 o 73.52607 0.8971957 54.00249       1.316652  51.77945       1.793587  56.60047       1.938951  -3.267609      1.794391  
1 1 1 4   25 20 o 56.62238 0.7739779 31.96833       0.8742505 34.06812       1.294225  30.20608       1.185651  3.403065       1.547956  
1 1 1 4   25 21 o 12.83207 1.132064  1.695676       0.2811743 1.228962       0.4032489 2.137299       0.3922599 -3.540437      2.264128  
1 1 1 4   25 22 o 72.22388 0.8893239 52.26506       1.284358  51.57548       1.794933  52.98859       1.838567  -0.9743958     1.778648  
1 1 1 4   25 23 o 30.45649 0.7020331 9.271156       0.4271975 8.776294       0.5898136 9.817230       0.6195821 -1.706711      1.404066  
1 1 1 4   25 24 o 38.41777 0.6992127 14.77374       0.5370774 15.29041       0.7684485 14.28034       0.7509384 1.313274       1.398425  
1 1 1 4   25 25 o 62.17310 0.9645469 38.91262       1.156107  39.31622       1.457091  38.22678       1.899446  0.9238167      1.929094  
1 1 1 4   25 26 o 68.26920 1.165333  46.81148       1.590929  46.27363       2.228558  47.37045       2.271895  -0.7972870     2.330666  
1 1 1 4   25 27 o 50.00881 0.9702066 25.04861       0.9694365 24.08275       1.335619  26.12402       1.409329  -2.031860      1.940413  
1 1 1 4   25 28 o 57.67022 1.046177  33.20511       1.202285  31.25740       1.618203  35.60510       1.796282  -3.744621      2.092353  
1 1 1 4   25 29 o 39.23547 0.8908039 15.40655       0.6982351 16.29213       1.015773  14.61328       0.9613777 2.132854       1.781608  
1 1 1 4   25 30 f 71.12402 1.064425  51.10999       1.464789  49.63091       2.377878  52.01445       1.859480  -1.753151      2.128850  
1 1 1 4   25 31 o 11.85843 1.359352  1.440299       0.3089210 1.841214       0.4513646 1.087011       0.4237066 3.343621       2.718703  
1 1 1 4   25 32 o 45.98685 0.7560996 21.14347       0.6944705 20.01815       0.9532230 22.41646       1.013836  -2.600571      1.512199  
1 1 1 4   25 33 o 38.06647 0.7468630 14.52940       0.5685982 14.63124       0.8041200 14.42757       0.8041185 0.2675247      1.493726  
1 1 1 4   25 34 o 26.50840 0.7988936 7.048741       0.4234364 7.072915       0.6062928 7.025722       0.5916351 0.8695412E-01  1.597787  
1 1 1 4   25 35 o 53.50047 1.112054  28.26265       1.103763  30.23901       2.002685  27.40041       1.322803  2.520210       2.224109  
1 1 1 4   25 36 o 13.88325 3.746647  2.067430       1.064491  2.067430       1.064491  ?              ?         ?              ?         
1 1 1 4   25 37 o 36.92705 0.9343612 13.61738       0.6879032 12.47752       0.9313025 14.98601       1.020487  -3.379967      1.868722  
1 1 1 4   25 38 o 52.60946 1.032475  27.84667       1.086220  27.41128       1.521506  28.29923       1.551218  -0.8374481     2.064949  
1 1 1 4   25 39 o 28.48357 0.9396435 8.111738       0.5337639 8.880029       0.7901315 7.466815       0.7239195 2.466938       1.879287  
1 1 1 4   25 40 o 50.77479 1.013392  25.93464       1.028772  26.59975       1.477462  25.30864       1.433347  1.261299       2.026784  
1 1 1 4   25 41 o 26.31476 0.9864128 6.971049       0.5191241 6.894315       0.7336086 7.048012       0.7346973 -0.2917728     1.972826  
1 1 1 4   25 42 o 29.28103 0.9473287 8.622218       0.5545885 8.849982       0.7969149 8.408320       0.7722783 0.7483940      1.894657  
1 1 1 4   25 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   26 0  o 76.95680 0.9144722 59.28787       1.407215  58.58818       1.966503  60.02219       2.014573  -0.9291992     1.828944  
1 1 1 4   26 1  o 33.88248 0.6635342 11.43338       0.4485655 10.59733       0.6103368 12.41541       0.6614800 -2.680981      1.327068  
1 1 1 4   26 2  o 56.62732 0.7594180 31.94740       0.8576155 30.19810       1.160384  34.05321       1.273147  -3.398991      1.518836  
1 1 1 4   26 3  f 142.2773 1.536219  202.8091       4.364164  196.5252       5.969441  210.0240       6.396372  -4.705475      3.072437  
1 1 1 4   26 4  o 64.28056 0.8125610 41.36150       1.044582  41.83035       1.486357  40.90396       1.468332  0.7197075      1.625122  
1 1 1 4   26 5  o 76.88112 0.9182820 59.13685       1.411116  60.77135       2.039478  57.63576       1.954475  2.034477       1.836564  
1 1 1 4   26 6  o 84.04245 0.9801313 70.75278       1.647442  70.87904       2.326924  70.62590       2.332756  0.1509628      1.960263  
1 1 1 4   26 7  o 121.2612 1.329553  147.5219       3.224423  148.0752       4.574089  146.9753       4.546086  0.4511032      2.659106  
1 1 1 4   26 8  o 77.72943 0.9267696 60.35941       1.438276  63.17404       2.110879  57.92034       1.965005  3.370277       1.853539  
1 1 1 4   26 9  o 106.5325 1.665850  114.1139       3.549291  114.0102       5.005055  114.2189       5.033981  -0.9458160E-01 3.331700  
1 1 1 4   26 10 o 104.6924 1.172890  109.2026       2.443336  103.3909       3.263184  116.6185       3.686146  -6.282539      2.345781  
1 1 1 4   26 11 f 39.05354 0.9072238 15.79909       0.6583716 13.79799       1.129260  16.82952       0.8103395 -3.900856      1.814448  
1 1 1 4   26 12 o 118.6065 1.874566  141.1542       4.433642  135.3202       5.999870  148.1721       6.580513  -5.340210      3.749133  
1 1 1 4   26 13 o 24.76534 1.245704  6.190990       0.6107143 7.232117       0.8660815 5.161330       0.8612993 4.180374       2.491408  
1 1 1 4   26 14 o 56.99458 0.9806727 33.06016       1.042149  34.00885       1.272774  31.13024       1.815345  2.566757       1.961345  
1 1 1 4   26 15 o 83.80122 0.9838485 69.45440       1.632944  64.12262       2.136657  76.94189       2.532017  -7.616356      1.967697  
1 1 1 4   26 16 o 34.66352 0.6824194 11.98458       0.4721430 11.32852       0.6432594 12.75082       0.6951814 -2.048546      1.364839  
1 1 1 4   26 17 o 48.90463 0.7253646 23.91972       0.7089157 23.25163       0.9791194 24.65584       1.027765  -1.432491      1.450729  
1 1 1 4   26 18 o 10.74927 1.217749  1.160474       0.2616846 1.175058       0.3661593 1.145249       0.3741251 0.1395826      2.435498  
1 1 1 4   26 19 o 81.62514 0.9688272 66.77409       1.581141  68.12710       2.270289  65.49968       2.203355  1.602829       1.937654  
1 1 1 4   26 20 o 78.87167 0.9466631 62.16746       1.489779  59.55085       2.024239  65.25964       2.200514  -3.601563      1.893326  
1 1 1 4   26 21 o 64.26949 0.8331915 41.39249       1.070969  41.39407       1.511961  41.39089       1.517211  0.2944946E-02  1.666383  
1 1 1 4   26 22 o 68.79150 0.8676335 47.42674       1.193511  46.96671       1.669538  47.90756       1.706840  -0.6802063     1.735267  
1 1 1 4   26 23 o 31.27051 0.7095810 9.770704       0.4432098 10.43417       0.6446033 9.175814       0.6103825 2.009182       1.419162  
1 1 1 4   26 24 o 67.01057 0.8576635 45.01685       1.149390  45.34499       1.635718  44.69679       1.615439  0.4814835      1.715327  
1 1 1 4   26 25 o 41.34643 0.7183415 17.12902       0.5938852 16.67129       0.8380725 17.59072       0.8417001 -1.111526      1.436683  
1 1 1 4   26 26 o 41.43923 0.7215632 17.20386       0.5979453 16.82336       0.8406038 17.59358       0.8507318 -0.9283562     1.443126  
1 1 1 4   26 27 o 41.75872 0.7231150 17.46388       0.6037334 16.88082       0.8435070 18.07632       0.8644959 -1.429344      1.446230  
1 1 1 4   26 28 o 15.61861 1.033152  2.421066       0.3151289 3.244510       0.4735324 1.766497       0.4221922 4.724040       2.066305  
1 1 1 4   26 29 f 29.13140 0.7530480 8.468049       0.4375446 9.387042       0.6415926 7.669048       0.5982425 2.943905       1.506096  
1 1 1 4   26 30 o 63.36918 0.8511175 40.25325       1.078214  41.39073       1.553302  39.19552       1.497858  1.724674       1.702235  
1 1 1 4   26 31 o 16.39176 1.108642  2.642787       0.3503746 1.784384       0.4615792 3.809871       0.5382099 -6.164203      2.217283  
1 1 1 4   26 32 o 47.81883 0.8821174 23.10124       0.8310019 23.87756       1.095715  22.05012       1.274979  1.938488       1.764235  
1 1 1 4   26 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   26 34 o 30.53739 0.9339750 9.357633       0.5698141 8.767803       0.7924731 9.989002       0.8199045 -1.994709      1.867950  
1 1 1 4   26 35 o 13.32056 1.559446  1.822006       0.4025622 1.516024       0.5543204 2.163475       0.5855830 -2.612101      3.118892  
1 1 1 4   26 36 o 56.62025 1.062895  32.25570       1.203284  31.60738       1.677377  32.94303       1.727113  -1.168480      2.125789  
1 1 1 4   26 37 o 31.40287 0.9265141 9.918133       0.5816603 9.772880       0.8308501 10.05775       0.8145752 -0.4569397     1.853028  
1 1 1 4   26 38 o 60.55838 1.108785  36.91439       1.341932  35.84935       1.854649  38.08459       1.944064  -1.823341      2.217571  
1 1 1 4   26 39 o 48.29998 0.9988447 23.45922       0.9643114 24.27252       1.393161  22.71116       1.336112  1.602768       1.997689  
1 1 1 4   26 40 o 47.93654 1.003100  23.14318       0.9616893 22.98396       1.356250  23.30419       1.363850  -0.3320923     2.006200  
1 1 1 4   26 41 o 12.82941 1.536171  1.698235       0.3842148 1.691286       0.5669835 1.704136       0.5224661 -0.2670298     3.072341  
1 1 1 4   27 0  o 57.17594 0.7679212 32.62305       0.8765758 34.56056       1.287203  30.94748       1.197034  3.154762       1.535842  
1 1 1 4   27 1  o 35.01463 0.6740061 12.25811       0.4716677 11.93634       0.6522341 12.61084       0.6828998 -0.9617157     1.348012  
1 1 1 4   27 2  o 93.65634 1.069637  87.38619       1.994261  82.77596       2.669585  93.20762       2.999835  -5.544334      2.139274  
1 1 1 4   27 3  f 66.94983 0.8460463 44.86266       1.132457  45.76592       1.628061  44.01596       1.576266  1.303841       1.692093  
1 1 1 4   27 4  o 70.04424 1.190984  48.73196       1.656961  45.43462       2.192858  53.11995       2.529657  -5.457512      2.381968  
1 1 1 4   27 5  o 19.30682 0.8236670 3.757198       0.3139171 4.499598       0.4473957 3.037263       0.4405746 3.786692       1.647334  
1 1 1 4   27 6  o 103.2242 1.159435  106.8468       2.393474  106.2656       3.362013  107.4442       3.408226  -0.5669174     2.318871  
1 1 1 4   27 7  o 90.97646 1.284166  84.39824       2.248240  77.89828       3.644509  88.39131       2.856526  -5.843643      2.568332  
1 1 1 4   27 8  o 48.44695 1.075380  23.53196       1.041968  23.38962       1.470727  23.67541       1.476419  -0.2944679     2.150760  
1 1 1 4   27 9  o 86.47462 1.454442  74.99974       2.511995  72.51484       3.444585  77.82240       3.671232  -3.041855      2.908884  
1 1 1 4   27 10 o 109.3441 1.519829  118.3457       3.051435  115.5968       3.632783  124.9325       5.623419  -4.019714      3.039659  
1 1 1 4   27 11 o 95.92775 1.093365  91.44258       2.082677  85.67154       2.754009  99.15184       3.183059  -6.986046      2.186730  
1 1 1 4   27 12 o 89.97182 1.040161  80.99807       1.868932  84.19577       2.735093  78.19724       2.559749  3.317413       2.080323  
1 1 1 4   27 13 o 27.71226 0.7126327 7.675413       0.3945743 7.246910       0.5453883 8.146023       0.5715558 -1.620504      1.425265  
1 1 1 4   27 14 o 55.97982 0.7701919 31.05006       0.8562854 28.66767       1.132242  34.23336       1.308795  -4.957882      1.540384  
1 1 1 4   27 15 o 32.09655 0.7006878 10.32533       0.4492870 10.86546       0.6343811 9.781761       0.6363993 1.688337       1.401376  
1 1 1 4   27 16 o 125.3200 1.376948  157.2885       3.439776  150.5085       4.643304  165.5348       5.120833  -5.926437      2.753896  
1 1 1 4   27 17 o 28.25339 0.7187550 7.997315       0.4060141 8.125614       0.5700784 7.865245       0.5783930 0.4614067      1.437510  
1 1 1 4   27 18 o 126.7454 1.392092  161.5976       3.528573  160.5711       4.954855  162.6539       5.026220  -0.8107376     2.784185  
1 1 1 4   27 19 o 63.89645 0.8306876 40.91694       1.061531  41.30840       1.507031  40.53146       1.495499  0.6068726      1.661375  
1 1 1 4   27 20 o 61.28117 0.8165321 37.62583       1.000586  38.36472       1.431191  36.91938       1.399428  1.176170       1.633064  
1 1 1 4   27 21 o 44.66739 0.7244744 19.98170       0.6470311 19.69866       0.9023922 20.28119       0.9282354 -0.6497345     1.448949  
1 1 1 4   27 22 o 47.40498 0.7384217 22.51776       0.7000864 22.68495       0.9909480 22.35116       0.9891977 0.3518791      1.476843  
1 1 1 4   27 23 o 54.82216 0.7777777 29.81787       0.8478879 33.06066       1.286040  27.32447       1.127692  5.214977       1.555555  
1 1 1 4   27 24 o 64.16583 0.8446344 41.28200       1.083838  40.97235       1.520701  41.60168       1.545147  -0.4875641     1.689269  
1 1 1 4   27 25 o 49.61589 0.7578205 24.62730       0.7510106 23.79861       1.030413  25.56635       1.096879  -1.774223      1.515641  
1 1 1 4   27 26 o 42.42940 0.7367220 18.04024       0.6250943 18.44973       0.8895157 17.64073       0.8786187 0.9521828      1.473444  
1 1 1 4   27 27 o 66.34857 0.8660131 43.86345       1.144260  41.07362       1.533953  47.36338       1.718118  -4.715843      1.732026  
1 1 1 4   27 28 f 39.62112 0.7405518 15.67688       0.5856768 16.94908       0.8591293 14.57234       0.8005176 2.992222       1.481104  
1 1 1 4   27 29 o 43.22241 0.7578792 18.53648       0.6515592 16.77511       0.8685993 20.80284       0.9852784 -4.643845      1.515758  
1 1 1 4   27 30 o 48.96776 1.250703  24.05066       1.221929  26.00030       1.804013  22.39795       1.660972  3.646736       2.501406  
1 1 1 4   27 31 f 22.39580 1.543855  5.554722       0.5250962 5.859605       0.5874582 4.343091       1.171103  3.531101       3.087710  
1 1 1 4   27 32 f 66.63704 0.9403077 44.72570       1.248588  46.11669       1.710723  43.14008       1.826498  2.254128       1.880615  
1 1 1 4   27 33 o 42.26425 2.413627  18.15581       2.040203  18.15581       2.040203  ?              ?         ?              ?         
1 1 1 4   27 34 o 35.66328 0.9171832 12.62001       0.6500294 14.49452       0.9857295 11.17762       0.8646798 4.626984       1.834366  
1 1 1 4   27 35 o 57.88559 1.081378  33.74438       1.251712  33.20832       1.750591  34.30513       1.790458  -0.9377785     2.162756  
1 1 1 4   27 36 o 43.81738 0.9617178 19.30834       0.8426502 18.80324       1.183773  19.82717       1.199762  -1.164970      1.923436  
1 1 1 4   27 37 o 57.37155 1.075071  33.08370       1.231631  31.69378       1.684949  34.67838       1.804799  -2.570660      2.150142  
1 1 1 4   27 38 o 47.01468 0.9828216 22.23182       0.9235401 21.59219       1.278178  22.93053       1.335899  -1.408997      1.965643  
1 1 1 4   27 39 o 61.98296 1.133320  38.75998       1.404914  38.74777       1.981835  38.77230       1.991899  -0.1700592E-01 2.266640  
1 1 1 4   28 0  o 45.59465 0.7076743 20.81088       0.6451468 20.68833       0.9007433 20.93997       0.9244702 -0.2745209     1.415349  
1 1 1 4   28 1  o 81.88634 0.9676707 66.85376       1.578679  63.42027       2.122699  71.10334       2.361528  -4.671379      1.935341  
1 1 1 4   28 2  o 97.07990 1.362168  95.14185       2.502917  93.21017       4.277655  96.14747       3.086399  -1.651489      2.724335  
1 1 1 4   28 3  o 19.60531 1.365568  3.837637       0.5337446 3.549947       0.7211630 4.186108       0.7936975 -1.613728      2.731136  
1 1 1 4   28 4  o 46.50912 1.074903  21.69380       0.9992280 22.72908       1.421555  20.68272       1.404837  2.198360       2.149807  
1 1 1 4   28 5  o 77.92462 1.164891  60.60177       1.685965  60.04596       2.032187  61.82905       3.019751  -1.041496      2.329781  
1 1 1 4   28 6  o 26.96910 0.7146416 7.262854       0.3849292 6.850747       0.5284573 7.728634       0.5618170 -1.625366      1.429283  
1 1 1 4   28 7  o 69.24721 0.8611701 48.04035       1.192440  47.69030       1.667509  48.40669       1.705875  -0.5141144     1.722340  
1 1 1 4   28 8  o 26.85629 0.7125025 7.231973       0.3815758 7.924367       0.5424288 6.553688       0.5368735 2.551487       1.425005  
1 1 1 4   28 9  o 52.64417 0.7454693 27.63968       0.7830744 29.56640       1.156295  26.00738       1.064287  3.373295       1.490939  
1 1 1 4   28 10 o 9.083889 1.504743  0.8682121      0.2692227 0.9718304      0.3743943 0.7572604      0.3874162 1.133847       3.009486  
1 1 1 4   28 11 o 42.38968 0.7101838 17.85444       0.5995746 16.43257       0.8046067 19.62987       0.8990924 -3.764278      1.420368  
1 1 1 4   28 12 o 111.7715 1.247192  125.1906       2.782277  120.8244       3.791365  130.2859       4.095702  -4.192368      2.494384  
1 1 1 4   28 13 o 69.33401 0.8713311 48.18300       1.208147  48.12545       1.696654  48.24218       1.720756  -0.8190155E-01 1.742662  
1 1 1 4   28 14 o 84.31262 0.9945253 71.20425       1.675159  69.21490       2.304313  73.43393       2.439531  -2.486961      1.989051  
1 1 1 4   28 15 o 44.83122 0.7206417 20.11691       0.6458324 21.00017       0.9268270 19.28324       0.9004347 1.912682       1.441283  
1 1 1 4   28 16 f 56.79790 0.7833797 32.32765       0.8897027 32.35445       1.245915  32.29975       1.270917  0.5050278E-01  1.566759  
1 1 1 4   28 17 o 52.21967 0.7607587 27.10359       0.7912993 30.12721       1.183415  24.65852       1.064188  5.224957       1.521517  
1 1 1 4   28 18 o 14.64994 1.019493  2.174076       0.2917827 1.614948       0.4060940 2.770785       0.4195195 -3.943125      2.038986  
1 1 1 4   28 19 o 37.73354 0.6994741 14.20292       0.5265013 15.69808       0.7714858 12.89952       0.7203157 3.703537       1.398948  
1 1 1 4   28 20 f 35.69887 0.7105371 12.76883       0.5069767 13.38954       0.7212960 12.16277       0.7127275 1.717384       1.421074  
1 1 1 4   28 21 o 57.93484 0.8012103 33.62872       0.9278804 33.06527       1.287747  34.23714       1.338145  -1.005795      1.602421  
1 1 1 4   28 22 o 83.76726 0.9994652 70.32638       1.672370  72.94990       2.440330  68.00320       2.296402  2.931946       1.998930  
1 1 1 4   28 23 o 24.35656 0.7922120 5.940651       0.3856781 6.184313       0.5568226 5.715958       0.5347114 0.9588947      1.584424  
1 1 1 4   28 24 o 46.41109 0.7442588 21.42422       0.6881415 23.70413       1.028395  19.57572       0.9259979 4.436211       1.488518  
1 1 1 4   28 25 o 15.46236 1.003333  2.401599       0.3098766 2.406535       0.4500187 2.397149       0.4273248 0.2667618E-01  2.006667  
1 1 1 4   28 26 o 35.47178 0.7362168 12.61276       0.5222002 12.27464       0.7327777 12.96165       0.7443638 -0.9669151     1.472434  
1 1 1 4   28 27 o 12.65641 2.553124  1.695602       0.6827956 1.962437       0.9613791 1.424008       0.9699150 1.785328       5.106248  
1 1 1 4   28 28 o 17.08090 1.929160  3.445445       0.4693384 3.691151       0.5221273 2.411339       1.071154  4.173939       3.858320  
1 1 1 4   28 29 o 30.22776 0.7698005 9.095631       0.4629011 10.53351       0.6857691 7.892103       0.6274002 4.360931       1.539601  
1 1 1 4   28 30 o 35.22256 0.7719400 12.37164       0.5421295 11.29609       0.7351233 13.65402       0.8026996 -3.337002      1.543880  
1 1 1 4   28 31 o 26.90155 1.251263  7.188131       0.5787643 7.524297       1.181519  7.082003       0.6638666 0.6963863      2.502527  
1 1 1 4   28 32 o 26.39206 0.9140542 6.991984       0.4819712 6.812850       0.6636072 7.191968       0.7011626 -0.7107983     1.828108  
1 1 1 4   28 33 f 29.76900 0.9420981 8.890872       0.5597265 9.210605       0.8239051 8.616827       0.7627708 0.9845486      1.884196  
1 1 1 4   28 34 o 38.91720 0.9428567 15.23035       0.7338232 15.30789       1.044498  15.15476       1.031195  0.1939087      1.885713  
1 1 1 4   28 35 o 36.85791 0.9295879 13.66105       0.6851022 13.52818       0.9571087 13.80065       0.9810981 -0.3643112     1.859176  
1 1 1 4   28 36 o 30.75677 0.9439874 9.518265       0.5803744 9.100785       0.8146667 9.948500       0.8270192 -1.375154      1.887975  
1 1 1 4   28 37 o 8.342986 1.838821  0.6532980      0.3541143 1.040204       0.5330092 0.3475876      0.4737913 3.125610       3.677642  
1 1 1 4   29 0  o 49.75831 1.409338  24.83186       1.402526  24.83186       1.402526  ?              ?         ?              ?         
1 1 1 4   29 1  f 68.15750 1.183958  46.64659       1.613878  47.07695       2.288640  46.22091       2.276146  0.6264267      2.367916  
1 1 1 4   29 2  o 83.78777 1.376071  70.52232       2.304136  68.74890       3.182639  72.47563       3.340146  -2.201080      2.752143  
1 1 1 4   29 3  o 60.20402 0.9553812 36.54356       1.107101  35.59833       1.821701  37.09711       1.394080  -1.287445      1.910762  
1 1 1 4   29 4  o 89.94144 1.041748  81.15376       1.873861  81.77087       2.663693  80.54917       2.636595  0.6761551      2.083497  
1 1 1 4   29 5  o 18.30770 0.8615127 3.343313       0.3130614 2.805480       0.4278976 3.962801       0.4592326 -3.157864      1.723025  
1 1 1 4   29 6  o 46.90903 0.7190648 22.00709       0.6741058 23.10433       0.9744670 21.00013       0.9335106 2.239639       1.438130  
1 1 1 4   29 7  o 75.10730 0.9150037 56.51601       1.373686  55.33998       1.904150  57.79230       1.983660  -1.624466      1.830007  
1 1 1 4   29 8  o 40.97050 0.7074573 16.78632       0.5790946 16.25901       0.7970783 17.37579       0.8427562 -1.359249      1.414915  
1 1 1 4   29 9  o 59.81698 0.7965518 35.68433       0.9498379 33.85313       1.281768  37.91468       1.414578  -3.382729      1.593104  
1 1 1 4   29 10 o 32.23823 0.7002538 10.41543       0.4510410 10.98624       0.6392229 9.849423       0.6365222 1.762932       1.400508  
1 1 1 4   29 11 o 32.05857 0.7078639 10.24004       0.4525765 9.548983       0.6127639 11.06948       0.6713154 -2.366404      1.415728  
1 1 1 4   29 12 o 22.16941 0.7838417 4.935767       0.3456313 5.592623       0.4929381 4.300531       0.4847576 2.913338       1.567683  
1 1 1 4   29 13 f 59.95007 0.8069968 35.97842       0.9665761 35.06641       1.330817  36.99667       1.406185  -1.602081      1.613994  
1 1 1 4   29 14 o 17.23951 0.8961591 2.985034       0.3083504 3.204220       0.4359589 2.765618       0.4361878 1.272114       1.792318  
1 1 1 4   29 15 o 32.11024 0.7068210 10.33329       0.4534876 10.91317       0.6441249 9.763376       0.6385679 1.789856       1.413642  
1 1 1 4   29 16 o 37.53643 0.7108047 14.03311       0.5319010 13.06661       0.7180218 15.20851       0.7918253 -2.845963      1.421609  
1 1 1 4   29 17 o 32.13665 0.7183790 10.35229       0.4613763 10.45695       0.6420023 10.24050       0.6634978 0.3388882      1.436758  
1 1 1 4   29 18 o 36.48461 0.7083040 13.33151       0.5166987 13.05584       0.7203666 13.62363       0.7415378 -0.7759857     1.416608  
1 1 1 4   29 19 o 57.84173 0.8040701 33.51483       0.9294077 32.82576       1.283666  34.27403       1.347411  -1.244446      1.608140  
1 1 1 4   29 20 o 34.63914 0.7210240 12.00270       0.4988811 11.60965       0.6848699 12.44701       0.7281677 -1.204098      1.442048  
1 1 1 4   29 21 o 38.88803 0.7255411 15.14901       0.5640589 14.88428       0.7840470 15.43301       0.8120914 -0.7024002     1.451082  
1 1 1 4   29 22 o 42.67859 0.7344225 18.26058       0.6268749 18.33872       0.8858002 18.18217       0.8872716 0.1835785      1.468845  
1 1 1 4   29 23 o 64.24243 0.9375654 40.44100       1.163708  45.27322       1.956851  37.79706       1.447470  5.735786       1.875131  
1 1 1 4   29 24 o 22.94541 1.599522  5.243937       0.7257432 4.278884       0.9651173 6.499771       1.100958  -4.801397      3.199044  
1 1 1 4   29 25 o 37.30185 1.068573  14.53190       0.6954194 15.15430       0.8157187 12.87616       1.330465  3.146309       2.137147  
1 1 1 4   29 26 f 13.03092 1.304980  1.780678       0.3215677 1.363113       0.4681635 2.153643       0.4424554 -3.202708      2.609960  
1 1 1 4   29 27 f 53.35719 0.7970101 28.44736       0.8486109 30.46225       1.252051  26.73524       1.154152  3.477493       1.594020  
1 1 1 4   29 28 o 6.815698 1.629709  0.3170103      0.2919434 0.7834302      0.4455355 -0.3394840E-01 0.3864754 3.695377       3.259418  
1 1 1 4   29 29 o 43.64535 1.154146  19.30218       0.9768342 18.75897       1.576727  19.64054       1.244421  -1.088524      2.308293  
1 1 1 4   29 30 o 38.42873 0.8553652 14.92697       0.6503273 15.54118       0.8693808 14.14667       0.9799114 1.835434       1.710730  
1 1 1 4   29 31 o 37.94418 0.8792028 14.49613       0.6649065 14.86568       0.9103648 14.07359       0.9734406 1.055962       1.758406  
1 1 1 4   29 32 o 11.41149 1.628439  1.379062       0.3613728 1.138894       0.5407495 1.572881       0.4857758 -2.106998      3.256877  
1 1 1 4   29 33 o 27.63545 0.9486595 7.688481       0.5238218 7.585653       0.7547104 7.784060       0.7276238 -0.3652287     1.897319  
1 1 1 4   29 34 o 21.10492 1.124584  4.548968       0.4616708 3.298006       0.6440216 5.871382       0.6621585 -6.091660      2.249169  
1 1 1 4   29 35 o 38.77818 0.9451172 15.11800       0.7326041 15.51667       1.057498  14.75010       1.015872  0.9787292      1.890234  
1 1 1 4   30 0  o 30.26381 0.7167815 9.185708       0.4333445 9.490567       0.6053914 8.865366       0.6205739 1.034252       1.433563  
1 1 1 4   30 1  o 111.2378 1.242973  123.5188       2.749720  116.5781       3.662080  132.4895       4.163352  -7.075089      2.485946  
1 1 1 4   30 2  o 56.28232 0.7759206 31.74439       0.8733940 31.82016       1.232081  31.66785       1.238273  0.1359100      1.551841  
1 1 1 4   30 3  o 113.3925 1.263878  129.0331       2.861425  124.8916       3.912023  133.7982       4.196244  -3.882301      2.527757  
1 1 1 4   30 4  o 26.58635 0.7676374 6.995718       0.4043964 5.796620       0.5422416 8.498490       0.6070331 -5.075043      1.535275  
1 1 1 4   30 5  o 68.90532 1.042336  48.34023       1.391467  50.64139       1.785231  44.77836       2.221067  4.311813       2.084672  
1 1 1 4   30 6  o 42.12527 0.9371193 17.71934       0.7876536 16.50962       1.070988  19.14448       1.162445  -3.116272      1.874239  
1 1 1 4   30 7  o 22.67161 0.9583552 5.156117       0.4343611 5.372581       0.6196752 4.947032       0.6090222 0.9371605      1.916710  
1 1 1 4   30 8  o 62.65137 1.118527  39.08463       1.392971  36.42294       1.849593  42.57278       2.117364  -4.867943      2.237055  
1 1 1 4   30 9  o 45.42875 0.8510057 20.45265       0.7399713 21.52030       1.256657  19.88598       0.9155240 1.759857       1.702011  
1 1 1 4   30 10 o 20.74508 0.8283234 4.291148       0.3413952 3.642982       0.4657857 5.043539       0.5018393 -3.371597      1.656647  
1 1 1 4   30 11 o 59.64100 0.8048046 35.65922       0.9599242 35.62968       1.349576  35.68947       1.365642  -0.4835510E-01 1.609609  
1 1 1 4   30 12 o 41.27539 0.7130153 17.07042       0.5883900 17.06409       0.8211566 17.07709       0.8435119 -0.1353455E-01 1.426031  
1 1 1 4   30 13 o 43.40840 0.7241191 18.75236       0.6263550 17.33733       0.8432358 20.49412       0.9355367 -3.626621      1.448238  
1 1 1 4   30 14 o 24.61299 0.7736529 6.046593       0.3799954 5.654431       0.5172673 6.506342       0.5600706 -1.725792      1.547306  
1 1 1 4   30 15 o 25.18891 0.7799469 6.286991       0.3903293 5.421466       0.5230268 7.375018       0.5864133 -3.870577      1.559894  
1 1 1 4   30 16 o 67.46770 0.8729260 45.66472       1.177874  45.90681       1.665887  45.42272       1.665644  0.3587341      1.745852  
1 1 1 4   30 17 o 52.76916 0.7752829 27.64942       0.8131836 25.60481       1.079326  30.33374       1.236703  -4.461887      1.550566  
1 1 1 4   30 18 o 49.58607 0.7572657 24.62317       0.7503885 23.94281       1.036077  25.37379       1.088264  -1.436455      1.514531  
1 1 1 4   30 19 o 33.96901 0.7280483 11.53274       0.4938048 10.93075       0.6752415 12.22480       0.7239960 -1.898643      1.456097  
1 1 1 4   30 20 o 28.50993 1.419999  8.043823       0.7968781 6.290534       1.054173  10.38152       1.217248  -7.134279      2.839999  
1 1 1 4   30 21 f 51.23623 1.229443  26.41640       1.258562  25.75722       1.733574  27.15103       1.830096  -1.339252      2.458886  
1 1 1 4   30 22 o 43.90582 0.7571881 19.31012       0.6644382 20.31922       0.9570042 18.37101       0.9232213 2.214069       1.514376  
1 1 1 4   30 23 f 42.33269 0.7516901 17.97235       0.6364032 17.84094       0.8959265 18.10619       0.9041499 -0.3121567     1.503380  
1 1 1 4   30 24 o 72.49282 0.9223474 52.73211       1.336248  54.42234       1.936664  51.19630       1.846069  2.208893       1.844695  
1 1 1 4   30 25 f 19.18206 0.9450828 3.712561       0.3611306 3.432060       0.5200534 3.973783       0.5018638 -1.415466      1.890166  
1 1 1 4   30 26 o 61.99445 0.8549923 38.53085       1.059129  37.03885       1.460451  40.18604       1.538246  -2.524616      1.709985  
1 1 1 4   30 27 o 11.30009 2.609884  1.238072       0.7189027 0.5585153      1.036291  1.868520       0.9981449 -3.772031      5.219768  
1 1 1 4   30 28 o 6.839341 1.739590  0.4019728      0.3066414 0.2905373      0.4588859 0.4918774      0.4121775 -0.6813650     3.479179  
1 1 1 4   30 29 o 43.52170 0.8942506 19.11477       0.7751447 20.63468       1.080769  17.50472       1.112354  3.602200       1.788501  
1 1 1 4   30 30 o 31.96292 0.9238976 10.27416       0.5902029 10.28471       0.8507655 10.26437       0.8194602 0.2500153E-01  1.847795  
1 1 1 4   30 31 o 18.66611 1.099644  3.448214       0.4059880 4.254404       0.6204116 2.844439       0.5369064 3.753763       2.199289  
1 1 1 4   30 32 o 5.593687 1.581440  -0.2186994     0.3446476 -1.186955      0.5257992 0.5106851      0.4563552 -3.591555      3.162880  
1 1 1 4   30 33 o 16.67031 1.697312  0.000000       0.000000  ?              ?         2.807472       0.5658944 ?              ?         
1 1 1 4   31 0  o 35.58728 0.7170276 12.56783       0.5071560 14.72328       0.7563969 10.80744       0.6835732 5.494553       1.434055  
1 1 1 4   31 1  f 34.27615 0.7145545 11.77100       0.4893986 12.45698       0.6976498 11.10638       0.6867082 1.969086       1.429109  
1 1 1 4   31 2  o 71.49518 0.8912272 51.04803       1.270287  48.59654       1.715182  54.02628       1.890503  -3.775543      1.782454  
1 1 1 4   31 3  o 36.18108 0.7103686 13.03843       0.5124853 11.90872       0.6951618 14.38338       0.7585005 -3.413513      1.420737  
1 1 1 4   31 4  o 58.89740 0.8004066 34.72185       0.9420370 36.20765       1.366722  33.37707       1.300246  2.395454       1.600813  
1 1 1 4   31 5  o 54.16056 0.7740037 29.20415       0.8344617 27.45157       1.116132  31.42533       1.256516  -3.652946      1.548007  
1 1 1 4   31 6  o 72.55981 0.8972071 52.67058       1.299610  55.26886       1.910346  50.43206       1.773163  3.315163       1.794414  
1 1 1 4   31 7  o 30.47524 0.7253616 9.250275       0.4407308 8.427089       0.5976327 10.23172       0.6525577 -2.955015      1.450723  
1 1 1 4   31 8  o 32.75982 0.7190260 10.75952       0.4706646 10.86877       0.6535848 10.64182       0.6783459 0.3489914      1.438052  
1 1 1 4   31 9  o 15.75021 1.020127  2.558927       0.3083867 3.376038       0.4358767 1.739952       0.4363731 5.193926       2.040254  
1 1 1 4   31 10 o 29.51621 0.7356967 8.749584       0.4331213 9.460950       0.6111625 8.031833       0.6138985 2.421198       1.471393  
1 1 1 4   31 11 o 27.29453 0.8487039 7.238531       0.4456051 6.676118       0.5497929 8.315347       0.7607504 -2.975622      1.697408  
1 1 1 4   31 12 o 16.60662 1.134369  2.759485       0.3713304 2.163814       0.5053695 3.458435       0.5474299 -3.890468      2.268738  
1 1 1 4   31 13 o 48.72281 0.9829002 23.82519       0.9568928 23.39590       1.320231  24.30030       1.388879  -0.9170074     1.965800  
1 1 1 4   31 14 o 26.06427 0.9396412 6.773773       0.4877133 5.988418       0.6612350 7.710776       0.7222595 -3.294264      1.879282  
1 1 1 4   31 15 f 40.45106 0.9170583 16.42579       0.7417302 16.21152       1.034984  16.65204       1.063528  -0.5399323     1.834117  
1 1 1 4   31 16 o 9.276976 2.280477  0.000000       0.000000  ?              ?         0.9063234      0.4206973 ?              ?         
1 1 1 4   31 17 o 41.80244 1.242050  17.62077       1.037695  18.08860       1.454438  17.13572       1.480967  1.145557       2.484100  
1 1 1 4   31 18 o 28.56679 0.7706151 8.040298       0.4362854 6.870213       0.5760170 9.614838       0.6681956 -4.791225      1.541230  
1 1 1 4   31 19 f 28.98557 0.7631441 8.437265       0.4417826 8.893139       0.6220465 7.973307       0.6275396 1.587473       1.526288  
1 1 1 4   31 20 o 69.59932 0.8966256 48.64931       1.248016  48.49940       1.754216  48.80294       1.775905  -0.2143402     1.793251  
1 1 1 4   31 21 o 22.14674 0.8473824 4.923213       0.3752250 4.874121       0.5233161 4.975156       0.5382977 -0.2255898     1.694765  
1 1 1 4   31 22 o 21.49742 0.8583732 4.630182       0.3673588 4.042897       0.5069732 5.279449       0.5330551 -2.871578      1.716746  
1 1 1 4   31 23 o 58.10764 0.9153172 33.19353       1.029616  36.82135       1.719997  31.16754       1.285354  4.780922       1.830634  
1 1 1 4   31 24 o 40.40829 1.299566  16.47115       1.048065  16.04288       1.429275  16.96929       1.541450  -1.113708      2.599132  
1 1 1 4   31 25 o 30.74921 0.7855695 9.456642       0.4805507 8.169363       0.6596562 10.91230       0.7014723 -4.452963      1.571139  
1 1 1 4   31 26 o 29.34738 0.8162562 8.626301       0.4776945 8.367292       0.6473038 8.936049       0.7078764 -0.9578552     1.632512  
1 1 1 4   31 27 o 39.41405 0.9374840 15.62393       0.7389230 15.72392       1.053957  15.52727       1.036258  0.2455635      1.874968  
1 1 1 4   31 28 o 15.11769 1.277396  2.350196       0.3792616 2.038281       0.5676461 2.601710       0.5097298 -1.881698      2.554792  
1 1 1 4   31 29 o 41.42218 0.9494313 17.18487       0.7843190 18.34675       1.164099  16.21897       1.061391  2.544243       1.898863  
1 1 1 4   31 30 o 32.97993 0.9378033 10.92213       0.6179698 11.51182       0.8970591 10.38953       0.8525233 1.691162       1.875607  
1 1 1 4   32 0  o 35.67419 0.7302756 12.76703       0.5204149 13.00524       0.7226486 12.51040       0.7500729 0.6967049      1.460551  
1 1 1 4   32 1  f 37.41603 0.7287096 13.91081       0.5422840 16.14180       0.8066702 12.07126       0.7324952 5.431030       1.457419  
1 1 1 4   32 2  o 57.15923 0.7955651 32.76664       0.9094223 33.16976       1.285729  32.36304       1.286505  0.7057762      1.591130  
1 1 1 4   32 3  o 46.90704 0.7386953 21.97407       0.6916568 23.52005       1.016691  20.64214       0.9436851 3.058956       1.477391  
1 1 1 4   32 4  o 45.48092 0.7391323 20.60592       0.6699248 19.20415       0.9020404 22.33010       1.000411  -3.424606      1.478265  
1 1 1 4   32 5  f 71.28174 0.8932047 50.99740       1.273321  51.56400       1.811378  50.44390       1.790302  0.7825394      1.786409  
1 1 1 4   32 6  o 21.51291 0.8644783 4.593493       0.3669104 3.630152       0.4935583 5.783547       0.5485699 -4.996876      1.728957  
1 1 1 4   32 7  o 23.38190 0.8220580 5.500247       0.3832951 5.899601       0.5370919 5.085765       0.5471709 1.741739       1.644116  
1 1 1 4   32 8  f 12.54932 1.270303  1.622847       0.3012955 1.154023       0.4161760 2.139196       0.4367615 -4.072593      2.540605  
1 1 1 4   32 9  o 39.16689 0.7209747 15.37993       0.5646349 15.37111       0.7899263 15.38914       0.8073887 -0.2080154E-01 1.441949  
1 1 1 4   32 10 o 35.52503 0.7182385 12.47823       0.5067286 11.09512       0.6710973 14.31268       0.7728779 -4.515697      1.436477  
1 1 1 4   32 11 o 22.52026 0.9108341 5.124978       0.4059153 4.842587       0.6104853 5.348753       0.5434468 -1.134516      1.821668  
1 1 1 4   32 12 o 63.57096 1.263648  40.61657       1.603155  39.02064       2.182031  42.48851       2.363197  -2.687019      2.527296  
1 1 1 4   32 13 o 22.51818 1.488488  5.149751       0.6673542 5.498290       0.9238186 4.769370       0.9650966 1.629478       2.976977  
1 1 1 4   32 14 f 30.94326 0.7504980 9.613976       0.4639115 9.990600       0.6498541 9.222590       0.6624675 1.242729       1.500996  
1 1 1 4   32 15 f 36.53426 0.7320060 13.39054       0.5338678 14.46393       0.7607798 12.34914       0.7493562 2.892677       1.464012  
1 1 1 4   32 16 o 20.71514 0.8793793 4.318194       0.3633437 4.667705       0.5126783 3.965482       0.5150209 1.695351       1.758759  
1 1 1 4   32 17 o 31.02649 0.7637427 9.593156       0.4723258 8.736982       0.6388751 10.62523       0.7014391 -3.033443      1.527485  
1 1 1 4   32 18 o 12.92746 1.248014  1.693380       0.3212222 1.553931       0.4625251 1.823306       0.4464547 -1.045890      2.496028  
1 1 1 4   32 19 o 14.66783 3.331350  2.306302       0.9552350 2.306302       0.9552350 ?              ?         ?              ?         
1 1 1 4   32 20 o 23.61358 1.298333  5.605674       0.6131659 5.605674       0.6131659 ?              ?         ?              ?         
1 1 1 4   32 21 f 16.34188 1.207931  2.702843       0.3936120 2.529429       0.5657098 2.865577       0.5480148 -1.033204      2.415862  
1 1 1 4   32 22 o 38.65988 0.9351706 14.91871       0.7203305 16.73765       1.069835  13.41023       0.9742619 4.283611       1.870341  
1 1 1 4   32 23 o 50.95308 1.009768  26.09398       1.028198  27.20078       1.490274  25.08849       1.420424  2.056599       2.019535  
1 1 1 4   32 24 o 24.60616 0.9800498 6.039453       0.4800099 6.886390       0.7165158 5.349869       0.6465377 3.105835       1.960100  
1 1 1 4   32 25 o 27.64867 0.9358593 7.693384       0.5164849 7.071912       0.7237660 8.338247       0.7372607 -2.286871      1.871719  
1 1 1 4   32 26 o 42.97133 0.9557007 18.43808       0.8180447 20.33826       1.224658  16.90713       1.099255  3.962780       1.911401  
1 1 1 4   32 27 o 34.32735 0.9244111 11.84155       0.6342642 12.20631       0.9168074 11.50672       0.8783951 1.010235       1.848822  
1 1 1 4   32 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   33 0  o 131.2551 1.448845  173.9917       3.801491  171.0889       5.277981  177.1209       5.479946  -2.245972      2.897691  
1 1 1 4   33 1  o 63.47346 0.8404766 40.41895       1.066686  39.90260       1.488430  40.96416       1.529451  -0.8301086     1.680953  
1 1 1 4   33 2  o 38.75566 0.7319396 15.05999       0.5673174 15.00285       0.7984948 15.11823       0.8061761 -0.1478500     1.463879  
1 1 1 4   33 3  o 72.23600 0.9088560 52.17877       1.309822  55.53913       1.937179  49.34859       1.777802  4.259079       1.817712  
1 1 1 4   33 4  o 45.12178 0.7386807 20.41729       0.6664191 21.05589       0.9452769 19.78625       0.9396661 1.406155       1.477361  
1 1 1 4   33 5  o 35.10433 0.7302536 12.36286       0.5120883 12.49082       0.7091863 12.22346       0.7402143 0.3849068      1.460507  
1 1 1 4   33 6  o 59.63505 0.8991557 35.66313       1.060730  36.04407       1.628414  35.38236       1.398007  0.5169334      1.798311  
1 1 1 4   33 7  o 39.79447 1.147908  15.92598       0.9127790 15.50518       1.258768  16.39261       1.325549  -1.100746      2.295816  
1 1 1 4   33 8  o 29.98249 1.230444  9.024745       0.7362258 8.476230       1.001997  9.668318       1.085353  -1.968534      2.460889  
1 1 1 4   33 9  o 72.27226 1.160202  52.39945       1.543544  52.06160       1.848724  53.17700       2.804584  -0.5612869     2.320405  
1 1 1 4   33 10 o 12.73577 1.883807  1.959635       0.4040606 2.213003       0.4628322 1.147718       0.8285208 4.180365       3.767614  
1 1 1 4   33 11 o 53.50055 0.8585570 28.15129       0.8921327 26.42311       1.119400  31.16001       1.477007  -4.365921      1.717114  
1 1 1 4   33 12 o 25.84909 0.7990803 6.693189       0.4117448 7.488365       0.5958372 5.966408       0.5696364 2.939749       1.598161  
1 1 1 4   33 13 o 12.14232 1.347663  1.518315       0.3165860 1.275932       0.4453036 1.766032       0.4501768 -2.183708      2.695326  
1 1 1 4   33 14 o 43.50774 0.7546042 18.98449       0.6563491 18.67490       0.9125227 19.31634       0.9447517 -0.7319717     1.509208  
1 1 1 4   33 15 o 7.446076 1.636180  0.5159563      0.2909321 0.1892342      0.4055985 0.8622029      0.4175417 -3.182549      3.272360  
1 1 1 4   33 16 o 9.257341 1.527866  0.8738818      0.3002113 1.375202       0.4353750 0.4194428      0.4145182 4.811531       3.055732  
1 1 1 4   33 17 o 17.57476 0.9839619 3.114099       0.3450948 2.943583       0.4948948 3.275480       0.4814580 -0.9471493     1.967924  
1 1 1 4   33 18 o 28.58444 0.7970543 8.184254       0.4546646 7.453659       0.6279522 8.989291       0.6591687 -2.680569      1.594109  
1 1 1 4   33 19 o 35.21666 0.7629151 12.43454       0.5368800 12.11720       0.7407986 12.78563       0.7791806 -0.9422760     1.525830  
1 1 1 4   33 20 o 21.83129 0.8995348 4.786191       0.3923542 4.915573       0.5706214 4.670168       0.5403598 0.5555515      1.799070  
1 1 1 4   33 21 o 32.11790 0.8244404 10.35832       0.5277017 9.213721       0.7338393 11.58399       0.7593819 -3.684698      1.648881  
1 1 1 4   33 22 o 48.54423 0.9900588 23.71535       0.9609067 24.57577       1.376085  22.89654       1.342396  1.721245       1.980118  
1 1 1 4   33 23 o 23.88759 0.9957898 5.700932       0.4739016 6.331724       0.7073474 5.187201       0.6383476 2.378880       1.991580  
1 1 1 4   33 24 o 38.48483 1.369794  0.000000       0.000000  ?              ?         14.90976       1.054326  ?              ?         
1 1 1 4   34 0  o 14.14371 1.757615  2.259640       0.4243940 1.673027       0.7820573 2.504493       0.5052609 -3.249117      3.515229  
1 1 1 4   34 1  o 41.54645 1.146907  17.34331       0.9513295 18.83826       1.382776  15.99979       1.310869  3.399441       2.293814  
1 1 1 4   34 2  o 93.17551 1.582208  88.05939       2.948421  88.45261       4.166000  87.66476       4.173402  0.4251404      3.164416  
1 1 1 4   34 3  o 24.16564 1.176475  5.284189       0.4916644 4.764802       0.5565438 7.130369       1.049279  -4.776663      2.352949  
1 1 1 4   34 4  o 45.14167 0.7557514 20.44681       0.6820624 21.17841       0.9680619 19.72565       0.9611393 1.608032       1.511503  
1 1 1 4   34 5  o 32.03135 0.7618552 10.30141       0.4875891 10.83847       0.6902110 9.766390       0.6889010 1.673267       1.523710  
1 1 1 4   34 6  o 43.79215 0.7477761 19.08737       0.6522447 17.42115       0.8764839 21.15519       0.9764128 -4.247272      1.495552  
1 1 1 4   34 7  o 38.49507 0.7435320 14.87255       0.5721635 14.96383       0.7981110 14.77604       0.8206840 0.2476158      1.487064  
1 1 1 4   34 8  o 19.25931 0.9476368 3.768605       0.3606569 4.350339       0.5038319 3.157258       0.5164958 3.100063       1.895274  
1 1 1 4   34 9  o 60.82346 0.8322663 37.14308       1.012082  36.66643       1.409669  37.65015       1.453960  -0.8004456     1.664533  
1 1 1 4   34 10 o 8.165654 1.754014  0.6838781      0.3116319 0.7161258      0.4412605 0.6517897      0.4401696 0.3177681      3.508028  
1 1 1 4   34 11 f 49.24841 0.7699098 24.34111       0.7582041 24.21142       1.061183  24.47635       1.083696  -0.2651596     1.539820  
1 1 1 4   34 12 o 15.79131 1.084179  2.512434       0.3400876 2.913474       0.4901779 2.140213       0.4722368 2.444064       2.168358  
1 1 1 4   34 13 o 15.95284 1.071866  2.555001       0.3328000 3.424461       0.4928431 1.826238       0.4512085 4.999314       2.143732  
1 1 1 4   34 14 o 58.60000 0.8265261 34.39385       0.9670441 32.82191       1.321325  36.20709       1.419120  -2.869610      1.653052  
1 1 1 4   34 15 o 14.63215 1.109523  2.160452       0.3244247 2.075505       0.4611323 2.243707       0.4565143 -0.5759907     2.219046  
1 1 1 4   34 16 o 62.39258 0.8533654 39.12635       1.064805  39.04667       1.496710  39.20802       1.515183  -0.1253891     1.706731  
1 1 1 4   34 17 o 36.30068 0.7597987 13.15194       0.5499358 11.99107       0.7460414 14.53335       0.8138257 -3.488705      1.519597  
1 1 1 4   34 18 o 16.34544 1.049268  2.683614       0.3401314 3.193513       0.4966886 2.233345       0.4667436 2.929420       2.098536  
1 1 1 4   34 19 o 31.38175 0.9407570 9.887743       0.5897136 10.59271       0.8546026 9.246940       0.8147836 2.135036       1.881514  
1 1 1 4   34 20 f 86.48025 2.052350  0.000000       0.000000  ?              ?         75.91347       3.549754  ?              ?         
1 1 1 4   35 0  o 36.14005 1.000349  13.07898       0.7208108 14.60109       1.058674  11.76360       0.9841610 3.908939       2.000698  
1 1 1 4   35 1  f 19.24441 1.035238  3.751961       0.3956175 3.478494       0.5815323 3.987564       0.5397738 -1.332354      2.070477  
1 1 1 4   35 2  o 63.83122 0.8604612 40.88483       1.097215  39.90445       1.509093  41.98430       1.598123  -1.611809      1.720922  
1 1 1 4   35 3  o 22.29013 0.8937503 4.972058       0.3970309 4.422011       0.5436321 5.600807       0.5812241 -2.636564      1.787501  
1 1 1 4   35 4  o 23.32711 0.8883257 5.456768       0.4137333 5.031260       0.5713637 5.925830       0.5998929 -1.911633      1.776651  
1 1 1 4   35 5  o 51.28600 0.7902301 26.27357       0.8080981 24.70240       1.092039  28.17526       1.201423  -3.365742      1.580460  
1 1 1 4   35 6  o 47.37886 0.7697566 22.54422       0.7290205 23.36229       1.030282  21.72391       1.031700  1.729275       1.539513  
1 1 1 4   35 7  o 31.06820 0.7717602 9.630888       0.4764489 11.30674       0.7019538 8.199303       0.6487838 4.991272       1.543520  
1 1 1 4   35 8  o 21.45558 0.8887026 4.624997       0.3810956 4.541831       0.5275801 4.715738       0.5510896 -0.4001999     1.777405  
1 1 1 4   35 9  o 43.09092 0.7546450 18.56573       0.6488643 17.52600       0.8817854 19.79357       0.9582404 -2.616825      1.509290  
1 1 1 4   35 10 o 31.30206 0.7593961 9.824534       0.4750760 9.418048       0.6576626 10.26812       0.6870160 -1.352224      1.518792  
1 1 1 4   35 11 o 10.06483 1.467451  1.072792       0.3152581 1.938521       0.4525436 0.2565091      0.4394301 7.585464       2.934902  
1 1 1 4   35 12 o 64.49151 0.8704528 41.78513       1.122368  42.89626       1.612376  40.74060       1.563296  1.660732       1.740906  
1 1 1 4   35 13 o 10.24860 1.616074  1.103857       0.3248875 1.401319       0.4736719 0.8395967      0.4464557 2.645103       3.232148  
1 1 1 4   35 14 o 38.94804 0.9559073 15.25925       0.7444393 15.67500       1.065703  14.86305       1.040347  1.036369       1.911815  
1 1 1 4   35 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   36 0  o 39.40255 0.7650223 15.56721       0.6022974 15.13029       0.8299536 16.05330       0.8754178 -1.162769      1.530045  
1 1 1 4   36 1  o 54.13342 0.8018654 29.42230       0.8679774 30.11112       1.242198  28.76513       1.213322  1.237564       1.603731  
1 1 1 4   36 2  o 34.46822 0.7700479 11.93632       0.5305058 12.21001       0.7429447 11.65159       0.7577721 0.8128242      1.540096  
1 1 1 4   36 3  o 33.71326 0.8240805 11.30564       0.5516512 12.34542       0.8437591 10.52934       0.7290551 2.670300       1.648161  
1 1 1 4   36 4  o 37.20211 0.9934277 13.81774       0.7354106 12.81289       0.9814718 15.10415       1.110493  -3.047985      1.986855  
1 1 1 4   36 5  o 70.08660 1.245473  49.50611       1.742260  51.92459       2.565708  47.43664       2.373372  3.142395       2.490947  
1 1 1 4   36 6  o 19.97043 1.751997  0.000000       0.000000  ?              ?         4.031575       0.6997626 ?              ?         
1 1 1 4   36 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 4   36 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   0  0  f 70.02032 1.121479  49.10447       1.568682  48.78637       2.207410  49.42903       2.229661  -0.000000      0.000000  
1 1 1 5   0  1  o 438.6028 8.139459  1710.322       56.84269  2322.939       136.5069  1581.814       62.52102  -0.000000      0.000000  
1 1 1 5   0  2  f 272.1385 4.011178  742.1891       21.81077  741.3904       30.81795  742.9908       30.87229  -0.000000      0.000000  
1 1 1 5   0  3  o 244.9799 3.627245  599.9932       17.72258  580.0306       24.20300  623.0706       26.02285  -0.000000      0.000000  
1 1 1 5   0  4  o 260.4093 3.842138  679.5399       19.99110  678.1252       28.22986  680.9630       28.31370  -0.000000      0.000000  
1 1 1 5   0  5  o 360.0894 5.328412  1298.933       38.29932  1271.750       52.80104  1329.115       55.63702  -0.000000      0.000000  
1 1 1 5   0  6  o 231.5840 3.421666  537.1614       15.82805  544.0883       22.71239  530.6209       22.06991  -0.000000      0.000000  
1 1 1 5   0  7  o 53.36408 0.9044650 28.52688       0.9640773 28.41374       1.359596  28.64131       1.367259  -0.000000      0.000000  
1 1 1 5   0  8  f 226.6584 3.348347  514.6443       15.16374  513.4965       21.39431  515.8030       21.49560  -0.000000      0.000000  
1 1 1 5   0  9  o 327.3163 4.819975  1073.454       31.51965  1083.198       44.95280  1064.031       44.20757  -0.000000      0.000000  
1 1 1 5   0  10 f 354.0790 5.236527  1255.213       37.02442  1287.637       53.50587  1225.423       51.28555  -0.000000      0.000000  
1 1 1 5   0  11 o 512.1555 7.521019  2617.219       76.63120  2764.687       114.9344  2499.199       102.8204  -0.000000      0.000000  
1 1 1 5   0  12 o 176.1068 2.621625  309.5164       9.197620  297.2886       12.44965  324.2105       13.64752  -0.000000      0.000000  
1 1 1 5   0  13 o 531.1859 7.829222  2827.944       83.04118  2776.920       115.0020  2883.533       120.0355  -0.000000      0.000000  
1 1 1 5   0  14 o 368.3984 5.430868  1339.732       39.43839  1480.598       62.12398  1244.636       51.04310  -0.000000      0.000000  
1 1 1 5   0  15 o 564.1056 8.297594  3192.588       93.52368  3194.293       132.4877  3190.896       132.0383  -0.000000      0.000000  
1 1 1 5   0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   0  17 o 68.35770 1.375607  47.59209       1.823476  50.39816       2.358595  43.42286       2.874964  -0.000000      0.000000  
1 1 1 5   0  18 o 29.95586 0.7648152 8.913032       0.4544501 7.958984       0.6076554 10.12391       0.6845779 -0.000000      0.000000  
1 1 1 5   0  19 o 365.6604 5.380562  1339.925       39.29449  1362.411       56.56683  1318.957       54.62561  -0.000000      0.000000  
1 1 1 5   0  20 o 96.67860 1.505495  92.00706       2.868582  84.49394       3.708218  103.2027       4.526678  -0.000000      0.000000  
1 1 1 5   0  21 o 177.3545 3.737297  315.1049       13.24342  315.1049       13.24342  315.1049       13.24342  -0.000000      0.000000  
1 1 1 5   0  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   0  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   0  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   0  25 o 33.38734 1.239532  11.19414       0.8252063 11.19414       0.8252063 11.19414       0.8252063 -0.000000      0.000000  
1 1 1 5   0  26 o 122.0577 1.866295  146.9395       4.493143  135.7876       5.823632  163.3412       7.062630  -0.000000      0.000000  
1 1 1 5   0  27 o 72.68326 1.195060  52.80001       1.732107  54.92275       2.542030  50.96028       2.366515  -0.000000      0.000000  
1 1 1 5   0  28 f 424.8065 6.269300  1814.126       53.16490  1858.550       77.17395  1774.001       73.34514  -0.000000      0.000000  
1 1 1 5   0  29 o 101.4014 1.583391  102.1806       3.187775  96.05257       4.233221  110.2071       4.844809  -0.000000      0.000000  
1 1 1 5   0  30 o 141.8579 2.148517  199.2276       6.029643  185.4990       7.891351  218.4863       9.346567  -0.000000      0.000000  
1 1 1 5   0  31 f 64.23593 1.116163  41.23814       1.429932  39.37961       1.958483  43.36000       2.092636  -0.000000      0.000000  
1 1 1 5   0  32 o 357.9193 5.294678  1288.925       37.84004  1264.699       52.40299  1315.319       54.69859  -0.000000      0.000000  
1 1 1 5   0  33 o 60.25603 1.073140  36.32558       1.289905  37.58698       1.880836  35.20544       1.772392  -0.000000      0.000000  
1 1 1 5   0  34 o 44.10381 0.9332223 19.36957       0.8178519 20.95587       1.230028  18.11253       1.094954  -0.000000      0.000000  
1 1 1 5   0  35 o 7.335163 2.247699  0.7645315      0.3378198 0.8506104      0.5029088 0.6937543      0.4560237 -0.000000      0.000000  
1 1 1 5   0  36 o 77.36099 1.277850  59.98442       1.974617  59.96402       2.806472  60.00441       2.778794  -0.000000      0.000000  
1 1 1 5   0  37 o 49.48470 0.9703588 24.55565       0.9586459 24.17700       1.354929  24.93520       1.356533  -0.000000      0.000000  
1 1 1 5   0  38 o 125.3998 1.924559  157.3611       4.810719  163.7744       7.096107  151.9067       6.544135  -0.000000      0.000000  
1 1 1 5   0  39 f 54.86382 1.268684  30.71110       1.333599  32.10597       1.689705  28.40688       2.171731  -0.000000      0.000000  
1 1 1 5   0  40 o 8.996531 2.234936  1.057301       0.3587676 1.089633       0.5674622 1.035771       0.4630579 -0.000000      0.000000  
1 1 1 5   0  41 o 30.76147 0.9231010 9.413342       0.5621117 10.48986       0.8559067 8.596870       0.7453942 -0.000000      0.000000  
1 1 1 5   0  42 o 76.87257 1.288298  59.06805       1.972787  61.94844       2.923488  56.65979       2.673169  -0.000000      0.000000  
1 1 1 5   0  43 o 20.95334 1.153058  4.560836       0.4662037 3.611546       0.6727824 5.437730       0.6466190 -0.000000      0.000000  
1 1 1 5   0  44 o 121.8116 2.677511  149.1467       6.516026  149.1467       6.516026  149.1467       6.516026  -0.000000      0.000000  
1 1 1 5   0  45 o 48.77360 1.017558  23.87547       0.9900345 24.00042       1.428049  23.75983       1.373769  -0.000000      0.000000  
1 1 1 5   0  46 f 42.14406 0.9849726 17.80831       0.8257921 18.27343       1.221892  17.41725       1.120391  -0.000000      0.000000  
1 1 1 5   0  47 o 32.97032 0.9871567 10.89204       0.6465340 11.62861       0.9601687 10.28105       0.8744985 -0.000000      0.000000  
1 1 1 5   0  48 o 60.47126 1.142045  36.55684       1.375869  34.03096       1.872705  39.51937       2.028121  -0.000000      0.000000  
1 1 1 5   0  49 o 40.83681 1.053157  16.27886       0.8437246 19.74300       1.348724  14.05157       1.081468  -0.000000      0.000000  
1 1 1 5   0  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   0  51 o 2.965740 2.137030  -0.7875401     0.5563566 -0.7875401     0.5563566 -0.7875401     0.5563566 -0.000000      0.000000  
1 1 1 5   0  52 o 15.78298 1.771703  2.569013       0.4996880 3.548841       0.8051243 1.955139       0.6372758 -0.000000      0.000000  
1 1 1 5   0  53 o 52.03654 1.121452  27.15368       1.160023  28.13220       1.732122  26.35786       1.562067  -0.000000      0.000000  
1 1 1 5   0  54 o 61.78772 1.198317  38.37068       1.477236  36.33596       2.059634  40.52626       2.119925  -0.000000      0.000000  
1 1 1 5   0  55 o 42.30661 1.105715  17.88089       0.9260265 19.24993       1.415066  16.85547       1.224669  -0.000000      0.000000  
1 1 1 5   0  56 o 4.735130 2.202955  -0.6422555E-01 0.4906272 0.6365047E-01  0.8019423 -0.1407215     0.6202514 -0.000000      0.000000  
1 1 1 5   0  57 o 18.52634 1.594713  3.559839       0.5740647 3.524457       0.8983554 3.584259       0.7463214 -0.000000      0.000000  
1 1 1 5   0  58 o 24.01231 1.397889  5.957407       0.6554939 5.626058       0.9819608 6.223733       0.8803566 -0.000000      0.000000  
1 1 1 5   0  59 o 35.28131 2.866333  12.86523       1.996571  12.86523       1.996571  12.86523       1.996571  -0.000000      0.000000  
1 1 1 5   1  0  o 413.6377 4.320706  1702.245       35.52956  1821.002       53.89494  1610.963       47.25086  25.28107       8.641413  
1 1 1 5   1  1  o 107.7122 1.154905  115.8987       2.485615  113.0575       3.426982  119.0525       3.610579  -2.782112      2.309809  
1 1 1 5   1  2  o 297.1163 3.089424  883.3116       18.35235  870.2509       25.56310  897.2033       26.36371  -4.526398      6.178849  
1 1 1 5   1  3  o 138.7710 1.467118  191.4459       4.051107  181.7687       5.411667  203.7815       6.109938  -7.927521      2.934235  
1 1 1 5   1  4  f 405.2539 4.261328  1643.743       34.49135  1676.723       50.30663  1614.489       47.38100  7.631805       8.522655  
1 1 1 5   1  5  o 368.9597 3.872701  1335.429       28.07180  1509.558       45.03724  1224.799       35.89831  38.45834       7.745403  
1 1 1 5   1  6  o 412.5758 4.303499  1690.919       35.24222  1595.561       46.55833  1818.866       53.93045  -26.94879      8.606997  
1 1 1 5   1  7  o 288.2360 2.997451  831.0562       17.27140  845.1647       24.88305  817.9399       23.99220  4.713837       5.994902  
1 1 1 5   1  8  o 148.6248 1.582650  219.7909       4.682166  232.2346       7.040352  209.9225       6.269626  7.502731       3.165300  
1 1 1 5   1  9  o 442.0308 4.613631  1954.353       40.75010  2008.140       59.17530  1905.842       56.19854  11.53940       9.227262  
1 1 1 5   1  10 f 477.7372 4.968312  2285.184       47.46661  2265.168       66.58381  2305.868       67.68559  -4.248779      9.936624  
1 1 1 5   1  11 o 344.8506 3.581578  1190.001       24.70195  1188.450       34.84842  1191.567       35.01988  -0.4508667     7.163155  
1 1 1 5   1  12 o 554.2917 5.752290  3077.253       63.75979  3051.388       89.27710  3104.180       91.09016  -4.742859      11.50458  
1 1 1 5   1  13 o 619.5585 6.453123  3845.226       79.92741  3914.174       115.0816  3780.975       111.0928  10.69965       12.90625  
1 1 1 5   1  14 o 179.0781 1.884441  319.0716       6.720175  303.7943       9.015508  338.1736       10.08103  -9.595001      3.768882  
1 1 1 5   1  15 o 407.5840 4.594018  1647.589       36.61334  1591.943       46.71553  1736.203       58.95154  -17.58191      9.188037  
1 1 1 5   1  16 o 147.0732 1.563209  215.5454       4.582327  207.3840       6.183966  225.4836       6.823981  -6.151001      3.126418  
1 1 1 5   1  17 o 368.6135 4.973168  1344.598       35.29711  1302.128       43.96830  1421.580       59.19670  -16.01053      9.946337  
1 1 1 5   1  18 o 161.8675 1.836748  262.6710       5.932842  247.5917       8.501661  276.9853       8.283213  -9.080673      3.673496  
1 1 1 5   1  19 o 293.1142 3.931718  862.6578       22.69189  847.2461       35.16970  873.6494       29.70128  -4.574524      7.863436  
1 1 1 5   1  20 o 461.2858 6.792240  2137.914       62.64435  2112.105       87.32899  2165.272       89.91245  -5.694916      13.58448  
1 1 1 5   1  21 o 228.4326 3.375786  522.2242       15.41381  512.7498       21.36659  532.5051       22.25754  -4.310410      6.751572  
1 1 1 5   1  22 o 158.2678 2.038152  252.2886       6.151203  256.2301       7.656277  245.1121       10.33098  3.540482       4.076305  
1 1 1 5   1  23 o 89.76292 0.9990900 79.75887       1.779087  74.50630       2.343257  86.90733       2.733631  -6.905304      1.998180  
1 1 1 5   1  24 o 203.2766 2.608760  414.5037       10.02356  416.0019       12.31852  411.5680       17.24370  1.181137       5.217519  
1 1 1 5   1  25 o 209.3801 3.104661  439.2014       12.99700  445.5034       18.66267  433.2667       18.11081  2.908325       6.209321  
1 1 1 5   1  26 o 284.4823 4.200686  812.3041       23.89682  820.4282       34.15203  804.5109       33.44934  2.774597       8.401373  
1 1 1 5   1  27 o 94.63591 1.296645  87.40165       2.246478  95.01659       4.191839  84.33334       2.660850  5.628105       2.593291  
1 1 1 5   1  28 o 226.4240 2.370299  511.8700       10.70621  534.0415       15.83525  493.2017       14.53048  8.990372       4.740597  
1 1 1 5   1  29 o 103.5458 1.136010  107.2481       2.352428  107.9035       3.349707  106.6102       3.304425  0.6239548      2.272020  
1 1 1 5   1  30 o 195.6591 2.057704  383.2318       8.050672  378.8486       11.25516  387.8239       11.52020  -2.287689      4.115407  
1 1 1 5   1  31 o 90.15772 1.013164  81.30648       1.826771  81.78677       2.601261  80.83911       2.565988  0.5251312      2.026329  
1 1 1 5   1  32 o 45.46398 0.6601836 20.60940       0.5993184 21.86261       0.8782805 19.51736       0.8198605 2.578678       1.320367  
1 1 1 5   1  33 o 204.0145 2.144615  416.8907       8.746945  410.4095       12.16016  423.8397       12.59120  -3.276489      4.289230  
1 1 1 5   1  34 o 38.96689 0.6392532 15.15902       0.4976788 14.55785       0.6850908 15.83076       0.7241831 -1.632843      1.278506  
1 1 1 5   1  35 o 86.15813 0.9793032 73.78637       1.679214  79.10394       2.531233  69.60664       2.244136  5.504967       1.958606  
1 1 1 5   1  36 o 102.4433 1.132339  104.9211       2.317665  102.2497       3.192374  107.8983       3.370198  -2.751167      2.264678  
1 1 1 5   1  37 o 22.17402 0.7012764 4.851132       0.3061907 3.772506       0.4095775 6.217658       0.4610091 -5.512362      1.402553  
1 1 1 5   1  38 o 29.82801 0.6358033 8.891986       0.3787546 9.581923       0.5444872 8.245138       0.5272102 2.240402       1.271607  
1 1 1 5   1  39 o 36.42158 0.6446427 13.20100       0.4683091 12.12932       0.6363941 14.46677       0.6916264 -3.207283      1.289285  
1 1 1 5   1  40 o 63.03355 0.7889572 39.74709       0.9943260 40.55930       1.427433  38.98148       1.385867  1.249966       1.577914  
1 1 1 5   1  41 o 86.57845 0.9907919 75.07021       1.715622  75.12077       2.428710  75.01986       2.423808  0.5801392E-01  1.981584  
1 1 1 5   1  42 o 51.41767 0.7172135 26.42299       0.7369630 25.52735       1.017744  27.41030       1.068559  -1.828880      1.434427  
1 1 1 5   1  43 o 30.69515 0.6775916 9.414622       0.4155774 9.990956       0.6008874 8.886191       0.5753728 1.798367       1.355183  
1 1 1 5   1  44 f 56.94578 0.9900042 32.70372       1.113214  31.06580       1.691584  33.95497       1.478490  -2.552258      1.980008  
1 1 1 5   1  45 o 38.64918 0.6877223 14.95743       0.5314223 14.82524       0.7594129 15.08429       0.7439160 -0.3360329     1.375445  
1 1 1 5   1  46 o 69.39828 0.8593304 48.04579       1.189404  45.52052       1.610301  51.07744       1.764382  -3.990791      1.718661  
1 1 1 5   1  47 o 54.96350 0.7643950 30.25932       0.8402189 29.99697       1.179832  30.52929       1.196848  -0.4828835     1.528790  
1 1 1 5   1  48 o 27.94319 1.070742  7.824303       0.5911697 7.922792       0.9120955 7.752955       0.7763048 0.2870560      2.141484  
1 1 1 5   1  49 o 53.68601 0.9806486 28.87294       1.037263  28.63670       1.352504  29.21032       1.616323  -0.5010567     1.961297  
1 1 1 5   1  50 o 46.31436 0.7376211 21.21212       0.6782638 23.93697       1.038465  19.18493       0.8957095 5.115841       1.475242  
1 1 1 5   1  51 o 27.92434 1.012793  7.988168       0.5210420 8.254269       0.6309437 7.417556       0.9239268 1.540264       2.025586  
1 1 1 5   1  52 o 34.86050 1.078746  12.30957       0.7458529 13.22839       1.017553  11.24273       1.096451  2.861382       2.157493  
1 1 1 5   1  53 o 26.74404 0.8296924 7.164864       0.4434019 7.488535       0.6433356 6.871983       0.6119695 1.148111       1.659385  
1 1 1 5   1  54 o 33.57953 0.7788164 11.30845       0.5229750 11.44703       0.7471443 11.17532       0.7322764 0.4024963      1.557633  
1 1 1 5   1  55 o 10.24032 1.756812  1.104662       0.3646595 0.7408860      0.5082464 1.490608       0.5235050 -3.384216      3.513624  
1 1 1 5   1  56 o 11.10477 1.665698  1.269737       0.3691965 0.7929364      0.5022749 1.830128       0.5445262 -4.675404      3.331397  
1 1 1 5   1  57 o 25.80672 0.9112049 6.691286       0.4676113 7.690289       0.6747063 5.767907       0.6486666 3.719297       1.822410  
1 1 1 5   1  58 o 9.965477 1.798748  1.041431       0.3810100 0.5527050      0.5340514 1.548048       0.5437384 -4.340852      3.597497  
1 1 1 5   1  59 o 14.93302 4.627147  0.000000       0.000000  ?              ?         2.419108       1.523462  ?              ?         
1 1 1 5   2  0  o 249.2178 2.595297  621.3553       12.93254  613.9020       18.04609  629.2244       18.54277  -3.069244      5.190593  
1 1 1 5   2  1  o 309.1991 3.224403  957.0744       19.93913  954.2937       28.08011  959.9021       28.31777  -0.9040527     6.448807  
1 1 1 5   2  2  o 112.2874 1.200073  126.1037       2.695059  126.2289       3.814641  125.9790       3.808146  0.1112595      2.400146  
1 1 1 5   2  3  o 90.83717 0.9890029 81.33337       1.776317  75.16920       2.311762  90.21885       2.775533  -8.282150      1.978006  
1 1 1 5   2  4  o 64.18524 0.7356620 40.91691       0.9395831 38.56217       1.254576  43.92469       1.417907  -4.176933      1.471324  
1 1 1 5   2  5  o 88.82985 0.9779373 78.69760       1.733613  75.81956       2.359696  82.07275       2.555379  -3.519051      1.955875  
1 1 1 5   2  6  o 423.0381 4.408269  1778.213       37.01939  1909.897       56.61190  1679.839       48.93069  27.07404       8.816538  
1 1 1 5   2  7  o 148.0203 1.561733  219.1465       4.623358  218.8404       6.532950  219.4536       6.543895  -0.2070923     3.123466  
1 1 1 5   2  8  o 378.6478 3.954453  1434.614       29.92022  1453.176       43.35438  1417.734       41.34430  4.659332       7.908905  
1 1 1 5   2  9  o 216.4937 2.270896  468.2803       9.819590  479.2054       14.32466  458.5955       13.48714  4.755814       4.541791  
1 1 1 5   2  10 o 395.9685 4.115564  1569.295       32.59218  1576.449       46.24924  1562.238       45.93694  1.792084       8.231128  
1 1 1 5   2  11 o 456.9750 4.740126  2087.585       43.26647  2033.473       59.41307  2148.685       63.13221  -12.57382      9.480251  
1 1 1 5   2  12 o 518.4720 5.403276  2671.402       55.68878  2876.015       84.55842  2514.678       74.00426  34.73911       10.80655  
1 1 1 5   2  13 o 127.0436 1.493458  154.8767       3.581217  181.0051       6.398467  142.9579       4.321509  14.96800       2.986916  
1 1 1 5   2  14 o 149.1143 1.584825  222.2897       4.725097  218.6147       6.588397  226.1820       6.780328  -2.536804      3.169651  
1 1 1 5   2  15 f 448.6699 5.075212  1963.685       43.63163  2195.772       74.83981  1844.184       53.70233  38.95718       10.15042  
1 1 1 5   2  16 o 194.7669 2.488061  382.0952       9.254975  370.6293       15.48558  388.4663       11.54338  -4.601517      4.976122  
1 1 1 5   2  17 o 154.2875 2.308802  233.3019       7.001901  213.8573       8.964141  263.7305       11.21373  -16.14880      4.617604  
1 1 1 5   2  18 o 181.3582 2.694687  328.5450       9.759776  319.3462       13.37668  339.0157       14.27155  -5.415710      5.389373  
1 1 1 5   2  19 o 244.3728 3.132671  594.3827       14.30741  588.4049       17.33368  607.1619       25.34384  -3.753601      6.265343  
1 1 1 5   2  20 o 223.5159 2.336767  497.1611       10.39585  473.7798       13.91187  526.7272       15.64400  -11.82802      4.673534  
1 1 1 5   2  21 o 363.2385 3.775115  1321.850       27.42417  1315.501       38.57198  1328.340       38.99883  -1.759735      7.550230  
1 1 1 5   2  22 o 76.14023 0.8750960 57.88302       1.330962  56.13100       1.828135  59.85907       1.941506  -2.447632      1.750192  
1 1 1 5   2  23 o 90.45320 1.005394  81.77635       1.817853  80.21558       2.521634  83.46515       2.623027  -1.795639      2.010789  
1 1 1 5   2  24 o 308.6069 3.212662  952.3461       19.79147  922.7119       27.01498  986.6779       29.07742  -10.31497      6.425325  
1 1 1 5   2  25 o 160.6797 1.699327  257.1394       5.439099  245.6874       7.311330  271.3317       8.139188  -7.968567      3.398654  
1 1 1 5   2  26 o 116.7120 1.259661  135.7134       2.930599  142.7551       4.363076  129.9250       3.955780  5.492493       2.519321  
1 1 1 5   2  27 o 171.0585 2.851711  293.9226       7.837911  294.4308       8.780332  291.9292       17.38986  0.9282532      5.703421  
1 1 1 5   2  28 o 116.7319 1.784883  136.3704       4.166962  137.1530       5.917455  135.6007       5.868795  0.6641006      3.569767  
1 1 1 5   2  29 o 90.94777 1.433537  82.38933       2.598393  78.57517       3.502179  87.05991       3.875475  -4.659264      2.867074  
1 1 1 5   2  30 o 93.49962 1.270562  87.59040       2.247644  87.07978       3.860635  87.85222       2.764463  -0.4281540     2.541123  
1 1 1 5   2  31 o 59.14214 0.8194536 35.09339       0.9659353 36.68643       1.331893  33.32582       1.402954  2.841831       1.638907  
1 1 1 5   2  32 o 104.5360 1.151294  109.2286       2.405226  112.0261       3.484147  106.6816       3.324474  2.553604       2.302587  
1 1 1 5   2  33 o 44.66167 0.6606594 19.54903       0.5837906 22.90521       0.9098200 17.20012       0.7611417 6.385399       1.321319  
1 1 1 5   2  34 o 94.87022 1.059077  89.70178       2.003397  85.72346       2.708657  94.50653       2.976743  -4.623230      2.118155  
1 1 1 5   2  35 o 81.03502 0.9319463 65.59076       1.508500  67.89405       2.201475  63.55208       2.071167  2.676178       1.863893  
1 1 1 5   2  36 o 76.12257 0.8911728 57.49856       1.348919  62.40975       2.045972  53.72225       1.794071  5.699677       1.782346  
1 1 1 5   2  37 o 92.42347 1.040484  85.36061       1.920695  82.82716       2.634812  88.23353       2.805789  -2.918793      2.080968  
1 1 1 5   2  38 o 83.61296 0.9600196 69.14963       1.591305  64.09164       2.089542  76.13357       2.455346  -7.187180      1.920039  
1 1 1 5   2  39 o 67.54718 0.8236064 45.63044       1.112038  46.69315       1.605253  44.64986       1.541973  1.510124       1.647213  
1 1 1 5   2  40 o 57.57676 0.7489858 32.98561       0.8594995 30.95599       1.158064  35.47469       1.282465  -3.919449      1.497972  
1 1 1 5   2  41 o 31.89620 0.6499771 10.12169       0.4133990 11.19978       0.6106111 9.209357       0.5617139 3.118443       1.299954  
1 1 1 5   2  42 o 26.05668 0.6900524 6.798989       0.3592453 6.436749       0.5074623 7.162911       0.5086389 -1.393379      1.380105  
1 1 1 5   2  43 o 32.87677 0.9461965 10.56813       0.6142396 9.189384       0.7957107 12.60119       0.9662453 -5.177427      1.892393  
1 1 1 5   2  44 o 85.08545 0.9877672 72.39632       1.678290  75.11987       2.457591  70.01621       2.297418  2.987236       1.975534  
1 1 1 5   2  45 o 103.0829 1.155522  106.0876       2.373467  100.9753       3.194857  112.3843       3.545666  -5.499329      2.311043  
1 1 1 5   2  46 o 10.02664 1.726612  1.150622       0.3481598 0.5611779      0.6275928 1.412671       0.4184542 -3.666509      3.453225  
1 1 1 5   2  47 o 79.98543 1.360954  63.97219       2.170120  59.94599       2.928823  68.87353       3.231478  -5.537048      2.721908  
1 1 1 5   2  48 f 37.57566 0.7143738 14.10249       0.5360836 15.07631       0.7821814 13.23984       0.7361813 2.439846       1.428748  
1 1 1 5   2  49 o 54.43967 0.7699372 29.69980       0.8382824 29.46588       1.180771  29.93752       1.190307  -0.4322319     1.539874  
1 1 1 5   2  50 o 24.70304 0.8112651 6.100025       0.3999339 6.699589       0.5817185 5.562625       0.5507364 2.297832       1.622530  
1 1 1 5   2  51 f 20.08831 0.9347619 4.048245       0.3734663 3.497144       0.5183510 4.643133       0.5385502 -2.849634      1.869524  
1 1 1 5   2  52 o 52.70074 0.7811768 27.84062       0.8232082 27.35774       1.150264  28.34762       1.178639  -0.9355927     1.562354  
1 1 1 5   2  53 o 24.19341 1.221529  5.973614       0.5821307 6.483910       0.7812294 5.336548       0.8728899 2.390739       2.443058  
1 1 1 5   2  54 o 16.10247 1.412818  2.632408       0.4526633 2.392176       0.6513561 2.856808       0.6295269 -1.448312      2.825636  
1 1 1 5   2  55 o 31.02068 0.8229125 9.663235       0.5102645 9.792171       0.7128291 9.527735       0.7307506 0.4291611      1.645825  
1 1 1 5   2  56 o 45.94357 0.7946815 21.08145       0.7283008 23.03891       1.075248  19.42217       0.9899735 3.921001       1.589363  
1 1 1 5   2  57 f 58.94276 0.8499506 34.90206       1.001965  34.82219       1.414729  34.98243       1.419267  -0.1350594     1.699901  
1 1 1 5   2  58 o 6.116569 1.809865  0.1190535E-01  0.3844677 -0.2784592     0.5415726 0.3069203      0.5458922 -1.634891      3.619730  
1 1 1 5   2  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   3  0  o 171.8385 2.185761  299.1275       7.282067  311.6755       9.335296  279.6253       11.63812  9.344284       4.371523  
1 1 1 5   3  1  o 220.6576 3.259747  486.4254       14.35938  471.6553       19.61129  503.4954       21.08293  -7.196884      6.519493  
1 1 1 5   3  2  f 168.4560 1.776506  283.0155       5.968681  294.8039       8.840370  273.1404       8.091267  6.425064       3.553012  
1 1 1 5   3  3  o 309.0961 3.222810  951.9765       19.84596  908.9337       26.69440  1005.166       29.67438  -15.53110      6.445619  
1 1 1 5   3  4  o 300.2227 3.126467  901.7057       18.76320  918.2170       27.05580  886.4068       26.04350  5.286255       6.252935  
1 1 1 5   3  5  o 536.8125 6.024403  2895.380       64.57045  3084.723       91.23284  2705.342       91.40019  35.33990       12.04881  
1 1 1 5   3  6  o 164.1656 1.733236  269.5694       5.690625  270.5080       8.080148  268.6458       8.015757  0.5668182      3.466472  
1 1 1 5   3  7  o 164.3181 1.729488  266.4153       5.618158  293.4336       8.778230  247.6699       7.311823  13.91840       3.458975  
1 1 1 5   3  8  o 91.09898 1.082557  82.52336       1.938510  80.52922       2.504861  85.50115       3.060923  -2.727486      2.165114  
1 1 1 5   3  9  o 422.3924 4.391309  1775.003       36.89528  1888.097       55.75443  1686.895       49.21157  23.76016       8.782619  
1 1 1 5   3  10 o 658.1827 9.079600  3348.291       81.60997  3046.902       86.31277  5890.124       250.6600  -213.2650      18.15920  
1 1 1 5   3  11 o 427.0798 4.864628  1790.052       39.98256  1956.474       67.59592  1700.494       49.58711  29.80762       9.729257  
1 1 1 5   3  12 o 612.6817 7.714112  3804.868       91.37525  3608.124       147.6534  3926.982       116.3261  -26.48035      15.42822  
1 1 1 5   3  13 o 301.1067 5.516672  880.1227       29.91159  972.6702       57.60683  845.9611       34.99945  20.79849       11.03334  
1 1 1 5   3  14 f 555.9597 8.167788  3097.008       90.67342  3008.577       124.1071  3198.255       132.7966  -16.91541      16.33558  
1 1 1 5   3  15 o 290.7563 4.279847  846.2893       24.88666  841.0011       34.98874  851.7040       35.40506  -1.836670      8.559693  
1 1 1 5   3  16 o 175.7740 2.286440  303.3126       7.371978  295.0127       8.759211  323.4696       13.65027  -8.067856      4.572880  
1 1 1 5   3  17 f 200.8138 2.102300  403.3591       8.442677  406.3157       12.03535  400.4945       11.84639  1.448318       4.204601  
1 1 1 5   3  18 o 385.5531 4.362170  1488.229       33.25711  1483.939       43.83184  1494.048       51.05561  -1.213654      8.724340  
1 1 1 5   3  19 o 179.7647 1.888146  322.9274       6.782331  330.9617       9.844944  315.6698       9.356978  4.249969       3.776293  
1 1 1 5   3  20 o 21.64819 0.5848569 4.595089       0.2488824 5.992180       0.3795573 3.541290       0.3296429 5.660606       1.169714  
1 1 1 5   3  21 f 234.8403 2.452320  550.8445       11.49813  534.1996       15.71749  570.0078       16.86468  -7.610168      4.904640  
1 1 1 5   3  22 o 143.1527 1.523934  204.9628       4.362315  203.0771       6.100926  206.9355       6.239910  -1.346497      3.047868  
1 1 1 5   3  23 o 258.9263 2.700434  668.3268       13.93010  639.4276       18.74091  704.0059       20.82355  -12.43381      5.400869  
1 1 1 5   3  24 o 283.7985 2.957581  806.7851       16.78439  798.8071       23.48361  815.1165       23.99818  -2.861755      5.915163  
1 1 1 5   3  25 o 57.04693 0.7168459 32.33881       0.8145176 34.81640       1.221429  30.35470       1.093039  3.909813       1.433692  
1 1 1 5   3  26 f 102.0335 1.122649  104.1285       2.290790  104.8399       3.263248  103.4373       3.216589  0.6869049      2.245297  
1 1 1 5   3  27 f 97.26818 1.073791  94.52480       2.087018  92.13499       2.878284  97.17422       3.030580  -2.588959      2.147583  
1 1 1 5   3  28 f 187.1165 1.968068  350.4713       7.364970  349.0656       10.37151  351.9013       10.46034  -0.7561340     3.936135  
1 1 1 5   3  29 o 20.83179 0.7240406 4.310090       0.2994452 4.107496       0.3963487 4.579516       0.4570721 -1.132481      1.448081  
1 1 1 5   3  30 o 188.9244 2.812642  356.3177       10.58937  341.2502       14.27089  374.7784       15.79627  -8.825455      5.625283  
1 1 1 5   3  31 o 102.8510 1.594625  105.4858       3.270693  101.0300       4.427086  110.8406       4.853134  -4.760841      3.189250  
1 1 1 5   3  32 o 90.96220 1.315092  82.34557       2.329161  84.77448       3.776132  80.85400       2.959126  2.138824       2.630185  
1 1 1 5   3  33 o 137.7434 1.475219  189.5203       4.056822  196.4875       5.953923  183.4825       5.542564  4.710541       2.950437  
1 1 1 5   3  34 o 118.3607 1.285290  139.6964       3.033370  146.8376       4.505627  133.7764       4.102344  5.506577       2.570579  
1 1 1 5   3  35 o 104.9466 1.243751  110.5634       2.602832  115.8259       3.603660  104.8237       3.763458  5.246666       2.487501  
1 1 1 5   3  36 o 49.83984 0.6998019 24.85065       0.6975161 24.48196       0.9847175 25.22193       0.9881651 -0.7422752     1.399604  
1 1 1 5   3  37 o 98.18726 1.095078  96.46429       2.149489  98.24535       3.096207  94.80730       2.986437  1.746674       2.190156  
1 1 1 5   3  38 o 100.2298 1.115669  100.5943       2.236279  99.79173       3.138193  101.4223       3.187536  -0.8111649     2.231338  
1 1 1 5   3  39 o 85.01364 0.9760799 71.79256       1.649896  77.47969       2.502498  67.41974       2.194361  5.902939       1.952160  
1 1 1 5   3  40 f 69.41422 0.8412033 48.21695       1.167572  48.91887       1.672688  47.54999       1.630512  0.9842377      1.682407  
1 1 1 5   3  41 o 54.47794 0.7324786 29.67494       0.7975768 30.47068       1.153173  28.94523       1.104302  1.398109       1.464957  
1 1 1 5   3  42 o 70.92836 0.8593524 50.34446       1.218544  51.33054       1.754192  49.42494       1.693950  1.340141       1.718705  
1 1 1 5   3  43 o 57.12946 0.7610798 32.56176       0.8679234 30.86014       1.183419  34.54235       1.276746  -3.217705      1.522160  
1 1 1 5   3  44 f 43.86615 0.8847416 20.10863       0.7419937 15.56148       1.146707  23.38376       0.9731895 -8.927559      1.769483  
1 1 1 5   3  45 f 37.73579 0.9849178 14.28539       0.7420740 14.05612       1.076398  14.49307       1.024432  -0.5833893     1.969836  
1 1 1 5   3  46 o 50.11412 0.7921335 25.10428       0.7830119 24.83347       1.023175  25.48705       1.216420  -0.6367188     1.584267  
1 1 1 5   3  47 f 21.72931 0.8119237 4.736233       0.3523037 4.437103       0.4986279 5.034416       0.4978384 -1.374508      1.623847  
1 1 1 5   3  48 o 64.49200 0.8315241 41.68777       1.072513  41.85114       1.522384  41.52679       1.511204  0.2503586      1.663048  
1 1 1 5   3  49 o 39.63335 0.7218436 15.73466       0.5720775 15.31993       0.8027790 16.16259       0.8154495 -1.061871      1.443687  
1 1 1 5   3  50 o 18.17032 0.9968765 3.333538       0.3520350 4.409737       0.5128050 2.374307       0.4841362 5.597149       1.993753  
1 1 1 5   3  51 o 18.48803 1.012466  3.437582       0.3706692 2.833133       0.5146527 4.089088       0.5343106 -3.393784      2.024932  
1 1 1 5   3  52 o 22.06764 0.8977305 4.888324       0.3961277 4.905300       0.5549250 4.870686       0.5656471 0.8000565E-01  1.795461  
1 1 1 5   3  53 o 42.31448 0.7552037 17.93190       0.6386766 17.12138       0.8855355 18.81059       0.9220192 -1.991161      1.510407  
1 1 1 5   3  54 o 37.80318 0.8413376 14.38082       0.6273311 14.57717       0.8248348 14.11140       0.9662024 0.6378250      1.682675  
1 1 1 5   3  55 o 19.48495 1.668801  4.318382       0.5631211 5.606329       0.7357398 2.496789       0.8749855 8.223910       3.337602  
1 1 1 5   3  56 o 5.988838 1.768443  0.5344940E-01  0.3600891 0.2362060      0.4962098 -0.1498535     0.5233601 0.9812722      3.536887  
1 1 1 5   3  57 o 23.23873 0.9701719 5.426165       0.4496822 6.002742       0.6483189 4.891592       0.6242568 2.385435       1.940344  
1 1 1 5   3  58 o 27.88252 1.024835  7.982582       0.5565826 8.637929       0.7287462 7.065148       0.8622401 2.854326       2.049670  
1 1 1 5   3  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   4  0  o 342.8203 4.361036  1181.094       28.36003  1188.733       35.01131  1166.517       48.36332  3.453064       8.722073  
1 1 1 5   4  1  o 182.8458 2.711830  334.3180       9.910254  327.8109       13.71717  341.4231       14.33358  -3.716156      5.423661  
1 1 1 5   4  2  o 150.2727 1.910027  229.3174       5.618291  245.6679       7.392952  206.9660       8.643805  12.88580       3.820053  
1 1 1 5   4  3  o 339.7570 3.537627  1155.781       24.03856  1159.669       34.05949  1151.922       33.93217  1.138489       7.075253  
1 1 1 5   4  4  o 104.5711 1.128869  109.0931       2.355657  105.5678       3.206289  113.2279       3.472406  -3.661621      2.257739  
1 1 1 5   4  5  o 417.1492 4.744447  1706.564       38.13401  1613.546       47.33457  1878.581       64.36955  -31.52127      9.488894  
1 1 1 5   4  6  o 449.6688 4.680573  2009.681       41.80675  2154.604       63.71553  1900.117       55.40010  28.19357       9.361145  
1 1 1 5   4  7  o 391.5331 4.081366  1533.662       31.94214  1507.327       44.30289  1562.173       46.09650  -6.987396      8.162732  
1 1 1 5   4  8  f 454.1790 4.720225  2058.634       42.75060  1983.110       57.87880  2149.302       63.41697  -18.24393      9.440451  
1 1 1 5   4  9  f 538.2777 6.999500  2770.879       66.56364  3192.408       133.3823  2631.084       76.81218  51.42212       13.99900  
1 1 1 5   4  10 o 245.7873 3.624612  603.7885       17.79922  589.3030       24.51316  619.9426       25.88678  -6.223831      7.249225  
1 1 1 5   4  11 o 603.7036 8.879366  3616.983       106.1221  3377.888       138.7808  3953.642       164.6793  -47.24719      17.75873  
1 1 1 5   4  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   4  13 o 287.6214 3.678030  823.5153       19.79949  815.6079       24.02127  840.2712       34.96734  -4.208313      7.356061  
1 1 1 5   4  14 o 433.0952 4.515987  1868.728       38.94269  1971.950       58.44767  1786.321       52.22306  21.37152       9.031975  
1 1 1 5   4  15 o 88.25938 1.076441  77.74873       1.877598  76.91830       2.466007  78.89420       2.896225  -1.118301      2.152881  
1 1 1 5   4  16 o 496.6243 5.162695  2470.272       51.25700  2441.139       71.29893  2501.434       73.73937  -6.037659      10.32539  
1 1 1 5   4  17 o 507.3116 5.296001  2570.328       53.57713  2695.772       79.50840  2465.987       72.51289  22.53946       10.59200  
1 1 1 5   4  18 o 264.1419 3.894140  696.8965       20.52630  673.3069       27.93641  724.5727       30.25975  -9.674133      7.788280  
1 1 1 5   4  19 o 261.5560 2.725635  684.2049       14.24960  671.9655       19.74854  697.4982       20.58119  -4.872101      5.451270  
1 1 1 5   4  20 o 56.50296 0.7024369 31.18390       0.7813395 36.13667       1.246634  27.97958       1.002729  7.217514       1.404874  
1 1 1 5   4  21 o 90.83408 1.005666  82.21118       1.821739  78.68141       2.466095  86.45108       2.702800  -4.275620      2.011333  
1 1 1 5   4  22 o 165.2311 1.743336  273.0684       5.759625  269.6399       8.038093  276.6862       8.256997  -2.130005      3.486672  
1 1 1 5   4  23 o 186.5005 1.959020  348.0393       7.306334  351.1057       10.42740  345.0818       10.24057  1.612442       3.918039  
1 1 1 5   4  24 o 110.9947 1.202438  122.2895       2.652802  115.2537       3.523987  131.4909       4.029978  -7.309547      2.404876  
1 1 1 5   4  25 o 246.0982 2.569606  606.0030       12.63814  593.5754       17.47496  619.6310       18.29959  -5.277054      5.139212  
1 1 1 5   4  26 o 283.0250 2.950719  802.0290       16.69159  787.1766       23.11178  818.2217       24.13221  -5.460205      5.901438  
1 1 1 5   4  27 f 135.2186 1.444850  182.9345       3.907371  182.3936       5.510650  183.4814       5.541192  -0.4018402     2.889701  
1 1 1 5   4  28 o 148.9069 1.583499  221.8824       4.715872  221.5338       6.663094  222.2322       6.675423  -0.2343445     3.166998  
1 1 1 5   4  29 o 227.4245 2.381094  516.7241       10.80575  499.0000       14.70073  537.5554       15.93734  -8.445343      4.762188  
1 1 1 5   4  30 o 54.35113 0.7053716 29.53932       0.7666106 29.83307       1.096839  29.25878       1.071893  0.5281219      1.410743  
1 1 1 5   4  31 o 103.4916 1.140118  106.9309       2.356030  103.4147       3.223018  110.9660       3.452685  -3.644775      2.280236  
1 1 1 5   4  32 o 268.5139 3.440774  726.2415       17.47121  729.2955       21.48951  720.2869       30.00648  2.131073       6.881548  
1 1 1 5   4  33 o 51.40582 0.9611139 26.38936       0.9870307 27.44924       1.438134  25.44551       1.357130  1.947544       1.922228  
1 1 1 5   4  34 o 36.68853 0.8532416 13.26071       0.6212753 11.57834       0.8223749 15.49747       0.9482380 -5.338715      1.706483  
1 1 1 5   4  35 o 51.46292 0.8368497 26.42561       0.8153498 26.72185       1.404553  26.27504       1.001342  0.4254456      1.673699  
1 1 1 5   4  36 o 29.07562 0.6351911 8.350892       0.3647988 6.680048       0.4892356 10.44316       0.5474686 -6.470087      1.270382  
1 1 1 5   4  37 o 64.60257 0.7963841 41.69534       1.028050  40.22635       1.417712  43.32444       1.492969  -2.395721      1.592768  
1 1 1 5   4  38 o 116.9325 1.276296  136.5845       2.977422  142.7159       4.400800  131.4089       4.043301  4.815178       2.552592  
1 1 1 5   4  39 o 86.94493 0.9918517 75.54324       1.722154  78.30372       2.520143  73.12482       2.358838  2.970810       1.983703  
1 1 1 5   4  40 o 28.29494 0.6635751 8.008562       0.3754540 8.188759       0.5364894 7.835593       0.5256218 0.6237049      1.327150  
1 1 1 5   4  41 o 91.20323 1.036438  83.26575       1.889577  84.96745       2.725019  81.68973       2.622463  1.791039       2.072875  
1 1 1 5   4  42 o 20.98594 1.572483  0.000000       0.000000  ?              ?         4.414070       0.6600010 ?              ?         
1 1 1 5   4  43 f 90.98486 1.483537  82.99828       2.695175  85.56078       3.947615  80.76093       3.688655  2.610817       2.967074  
1 1 1 5   4  44 o 45.93066 0.8520177 21.24431       0.7424225 21.49518       0.9179128 20.76975       1.262491  0.8129005      1.704035  
1 1 1 5   4  45 o 18.48166 1.278029  3.343603       0.4659047 3.984071       0.7368869 2.917063       0.6013569 2.871218       2.556057  
1 1 1 5   4  46 o 59.22292 0.7878793 35.13441       0.9331515 35.35504       1.328610  34.91962       1.310919  0.3661690      1.575759  
1 1 1 5   4  47 o 55.35723 0.7658640 30.52204       0.8450800 32.89410       1.259792  28.58137       1.139490  3.885288       1.531728  
1 1 1 5   4  48 o 42.24482 0.7146121 17.86271       0.6035098 17.20454       0.8404573 18.56335       0.8671519 -1.605953      1.429224  
1 1 1 5   4  49 f 49.50100 0.7470326 24.55451       0.7395559 24.62721       1.050499  24.48309       1.041341  0.1446609      1.494065  
1 1 1 5   4  50 o 42.27483 0.7303362 17.81654       0.6158568 19.29777       0.9115598 16.57269       0.8353305 3.215267       1.460672  
1 1 1 5   4  51 o 40.80763 0.7363160 16.68929       0.6007890 16.65042       0.8396341 16.73006       0.8600205 -0.9536743E-01 1.472632  
1 1 1 5   4  52 o 26.82124 0.8244831 7.217379       0.4421937 7.042739       0.6240255 7.393517       0.6266958 -0.6535454     1.648966  
1 1 1 5   4  53 o 64.40953 0.8565161 41.53929       1.101734  43.42509       1.612471  39.88805       1.508860  2.730095       1.713032  
1 1 1 5   4  54 o 23.00691 0.9301189 5.287009       0.4232404 4.273171       0.5761883 6.475094       0.6237405 -4.777130      1.860238  
1 1 1 5   4  55 o 29.01646 0.8355163 8.422139       0.4837537 7.680853       0.6637784 9.261863       0.7064786 -2.717176      1.671033  
1 1 1 5   4  56 o 18.72668 1.509593  3.848866       0.5160326 4.554517       0.6531999 2.677229       0.8416812 5.071571       3.019186  
1 1 1 5   4  57 o 17.43090 1.424911  3.045082       0.4931497 3.611619       0.7378704 2.587730       0.6629655 2.912459       2.849823  
1 1 1 5   4  58 o 16.86499 2.290513  2.953050       0.7315069 3.520530       1.175412  2.594321       0.9345389 2.549371       4.581025  
1 1 1 5   4  59 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   5  0  o 197.0447 2.068321  385.9744       8.104014  410.3731       12.26880  367.0891       10.79395  10.97267       4.136643  
1 1 1 5   5  1  f 376.1038 3.916135  1416.466       29.45316  1408.358       41.25302  1424.896       42.06497  -2.187897      7.832269  
1 1 1 5   5  2  o 104.3729 1.127940  108.8103       2.352105  106.0589       3.239202  111.8793       3.420995  -2.787590      2.255879  
1 1 1 5   5  3  o 383.4944 4.001591  1471.975       30.67718  1450.940       42.61589  1494.598       44.19537  -5.673157      8.003181  
1 1 1 5   5  4  f 381.2249 3.963667  1454.395       30.20915  1431.866       42.02235  1478.489       43.45819  -6.099396      7.927335  
1 1 1 5   5  5  o 254.0450 2.652124  645.4325       13.47077  635.9044       18.76385  655.5660       19.35081  -3.865952      5.304249  
1 1 1 5   5  6  o 149.0833 1.918317  224.4306       5.486773  214.6284       9.053339  230.1209       6.897899  -5.204575      3.836633  
1 1 1 5   5  7  o 449.7385 6.616634  2020.962       59.36376  2114.892       87.80484  1941.879       80.56738  19.14288       13.23327  
1 1 1 5   5  8  o 109.6642 1.674943  120.1640       3.670755  117.5200       5.072087  123.0719       5.319187  -2.530586      3.349885  
1 1 1 5   5  9  o 503.0000 7.396110  2518.278       73.92828  2380.307       98.13583  2699.315       112.4133  -31.51633      14.79222  
1 1 1 5   5  10 o 150.4408 2.547670  232.2384       6.949719  240.8759       8.324862  212.3770       12.62368  9.491959       5.095340  
1 1 1 5   5  11 o 68.46586 0.9610565 47.50931       1.280569  49.90446       1.655973  43.94642       2.019710  4.351776       1.922113  
1 1 1 5   5  12 o 198.6770 2.081160  393.2494       8.240740  377.2055       11.11415  412.8403       12.28142  -8.963211      4.162320  
1 1 1 5   5  13 f 291.4943 3.033623  848.2442       17.65291  880.0197       25.92937  820.7925       24.10077  10.14774       6.067245  
1 1 1 5   5  14 o 167.9451 1.775105  282.1126       5.962399  282.3104       8.429150  281.9146       8.435067  0.1178741      3.550210  
1 1 1 5   5  15 o 434.7307 4.512504  1890.516       39.19625  1938.829       56.95469  1847.046       54.02502  10.52286       9.025008  
1 1 1 5   5  16 o 429.8466 4.470431  1840.548       38.23589  1946.208       57.62665  1757.446       51.10611  21.87500       8.940863  
1 1 1 5   5  17 o 125.4065 1.342403  157.1936       3.365112  154.4333       4.668241  160.1795       4.855240  -2.290245      2.684807  
1 1 1 5   5  18 o 159.8539 2.391506  255.0571       7.630137  246.5091       10.39901  265.0262       11.23013  -5.784622      4.783011  
1 1 1 5   5  19 o 147.7112 1.574775  217.0259       4.631067  230.6117       6.959768  206.2310       6.203854  8.247787       3.149550  
1 1 1 5   5  20 o 215.3755 2.255230  464.1574       9.713910  467.5130       13.82464  460.8849       13.65207  1.536835       4.510460  
1 1 1 5   5  21 o 43.66339 0.6207852 18.49926       0.5336658 15.81044       0.6858213 22.62627       0.8496655 -7.804405      1.241570  
1 1 1 5   5  22 f 53.90755 0.6871892 29.05820       0.7408314 28.70680       1.039532  29.42086       1.056051  -0.6622314     1.374378  
1 1 1 5   5  23 o 103.4161 1.130192  106.5852       2.330811  102.1406       3.154743  111.9276       3.458718  -4.729248      2.260383  
1 1 1 5   5  24 o 164.3426 1.734828  270.1183       5.699484  265.5645       7.917030  275.0174       8.211615  -2.871857      3.469655  
1 1 1 5   5  25 o 124.0338 1.331500  153.7672       3.300669  150.4927       4.565357  157.3531       4.777574  -2.763336      2.663001  
1 1 1 5   5  26 o 171.1221 1.806147  292.9970       6.180313  296.0934       8.841386  290.0383       8.642571  1.766174       3.612293  
1 1 1 5   5  27 o 43.37440 0.6273317 18.57242       0.5401051 20.83390       0.8282903 16.89954       0.7123923 4.534679       1.254663  
1 1 1 5   5  28 o 106.8620 1.167438  114.1491       2.493464  111.9013       3.452214  116.6008       3.605352  -2.197060      2.334876  
1 1 1 5   5  29 o 217.7878 2.282170  474.6653       9.933167  485.2924       14.38371  464.9764       13.73404  4.647934       4.564339  
1 1 1 5   5  30 f 176.2648 1.860602  309.9824       6.540052  297.8617       8.853463  324.5403       9.702843  -7.548767      3.721203  
1 1 1 5   5  31 o 99.60590 1.104590  99.01453       2.195987  102.9722       3.231958  95.62050       2.992979  3.686623       2.209179  
1 1 1 5   5  32 o 198.7338 2.090439  395.5001       8.304444  388.6935       11.52283  402.8562       11.97896  -3.547775      4.180877  
1 1 1 5   5  33 o 45.21651 0.6608168 20.31832       0.5955461 22.12980       0.8879158 18.83698       0.8029395 3.640079       1.321634  
1 1 1 5   5  34 o 105.0501 1.250682  110.1296       2.590091  108.5088       3.376773  112.4462       4.036866  -1.854958      2.501364  
1 1 1 5   5  35 o 42.63370 0.8871019 18.18178       0.7562701 18.65561       1.079879  17.72569       1.059468  1.090088       1.774204  
1 1 1 5   5  36 o 79.89130 1.297627  63.84002       2.070988  62.22789       2.848068  65.64890       3.016854  -2.133781      2.595254  
1 1 1 5   5  37 o 40.45536 0.7688159 15.46820       0.5755377 18.77116       1.076318  14.14560       0.6810904 5.705616       1.537632  
1 1 1 5   5  38 f 26.96611 0.6488287 7.277780       0.3497637 7.192878       0.5006412 7.358728       0.4888507 -0.3078575     1.297657  
1 1 1 5   5  39 o 114.1613 1.249364  130.4771       2.850468  127.4880       3.940537  133.7579       4.128359  -2.734825      2.498729  
1 1 1 5   5  40 o 144.4457 1.909075  209.8335       5.189495  209.6584       9.016275  209.9202       6.346044  -0.3577423     3.818150  
1 1 1 5   5  41 o 31.32107 1.001856  9.822418       0.6240004 9.859725       0.9345237 9.792403       0.8382456 0.1019573      2.003712  
1 1 1 5   5  42 f 39.89366 0.8284528 15.96410       0.6228688 16.02008       0.7631862 15.85243       1.077907  0.2276649      1.656906  
1 1 1 5   5  43 o 90.80164 1.121601  82.80276       2.021069  83.86837       2.704993  81.45609       3.040839  1.355057       2.243202  
1 1 1 5   5  44 o 19.30737 0.8566652 3.732658       0.3277319 3.084420       0.4528221 4.445751       0.4749341 -3.523865      1.713330  
1 1 1 5   5  45 o 60.32465 1.138261  36.44507       1.370637  37.57280       2.013440  35.47112       1.871123  1.726948       2.276522  
1 1 1 5   5  46 o 46.38956 0.7189630 21.48731       0.6659555 22.73931       0.9763525 20.39807       0.9106799 2.518513       1.437926  
1 1 1 5   5  47 o 10.05115 1.517395  1.054176       0.2964505 0.8649278      0.4106756 1.260086       0.4283728 -1.932900      3.034789  
1 1 1 5   5  48 o 76.91628 0.9297352 59.26609       1.428965  61.05960       2.074748  57.64750       1.970966  2.206039       1.859470  
1 1 1 5   5  49 o 54.80616 0.7729369 30.05917       0.8463573 31.09894       1.231593  29.12874       1.165038  1.790470       1.545874  
1 1 1 5   5  50 o 22.09584 0.8687306 4.862399       0.3764752 6.315597       0.5592731 3.658286       0.5090907 6.007013       1.737461  
1 1 1 5   5  51 o 18.00301 1.007246  3.265025       0.3553755 4.159340       0.5164610 2.460808       0.4897555 4.713396       2.014492  
1 1 1 5   5  52 o 29.51865 0.7812955 8.741597       0.4610277 9.077554       0.6530897 8.407890       0.6508990 1.134008       1.562591  
1 1 1 5   5  53 o 31.34158 0.7790484 9.850268       0.4882459 9.596843       0.6849183 10.11210       0.6961876 -0.8204498     1.558097  
1 1 1 5   5  54 o 58.96519 0.8359421 34.88215       0.9854655 35.57931       1.417352  34.22974       1.371115  1.136929       1.671884  
1 1 1 5   5  55 o 15.14066 1.358457  2.388460       0.3750110 1.427594       0.5135189 3.486465       0.5489428 -6.945345      2.716914  
1 1 1 5   5  56 o 12.04458 1.632791  1.517275       0.3809969 2.098201       0.5523407 0.9899765      0.5262291 4.716496       3.265582  
1 1 1 5   5  57 o 11.91576 3.507645  0.000000       0.000000  ?              ?         1.506468       0.8913737 ?              ?         
1 1 1 5   5  58 o 29.65163 1.507062  8.862095       0.8937371 8.862095       0.8937371 ?              ?         ?              ?         
1 1 1 5   6  0  o 468.5064 4.894044  2176.951       45.40500  2052.161       59.48855  2351.100       70.27592  -31.75800      9.788088  
1 1 1 5   6  1  o 369.4012 3.842571  1365.954       28.38519  1372.627       40.51788  1359.522       39.77779  1.766327       7.685143  
1 1 1 5   6  2  o 379.0997 3.936634  1430.446       29.70098  1360.730       39.71978  1518.871       44.73272  -20.80896      7.873267  
1 1 1 5   6  3  o 290.3275 3.671543  850.9185       20.42962  817.6263       33.82961  870.0295       25.63116  -9.092010      7.343085  
1 1 1 5   6  4  o 428.2700 6.300258  1833.643       53.83820  1772.736       73.22019  1905.330       79.43660  -15.39874      12.60052  
1 1 1 5   6  5  o 398.7641 5.872762  1582.080       46.56552  1497.257       61.98501  1691.966       70.55049  -24.31711      11.74552  
1 1 1 5   6  6  o 269.7918 3.976627  727.7139       21.43633  744.8560       31.14163  712.2772       29.55191  6.026123       7.953255  
1 1 1 5   6  7  o 474.1267 6.110805  2193.044       52.50463  2116.758       61.74953  2392.144       99.75718  -28.62369      12.22161  
1 1 1 5   6  8  o 477.3283 5.717180  2276.250       54.45049  2367.137       80.36604  2199.123       74.03252  17.53186       11.43436  
1 1 1 5   6  9  o 486.7249 5.069175  2370.704       49.31764  2327.045       68.37272  2418.054       71.20480  -9.321472      10.13835  
1 1 1 5   6  10 o 357.0098 3.713236  1274.072       26.48224  1304.285       38.56369  1247.110       36.43037  7.991821       7.426472  
1 1 1 5   6  11 f 200.0499 2.095782  399.9464       8.378615  408.7262       12.13956  391.9594       11.57864  4.188293       4.191565  
1 1 1 5   6  12 o 376.9490 3.914530  1419.418       29.46140  1467.488       43.19461  1377.602       40.28664  11.89911       7.829060  
1 1 1 5   6  13 o 233.7453 2.440967  543.5494       11.35720  576.4448       17.08518  517.5052       15.20222  12.59724       4.881935  
1 1 1 5   6  14 o 183.8120 1.929601  337.7998       7.090786  343.2158       10.20339  332.7411       9.861138  2.847626       3.859201  
1 1 1 5   6  15 o 182.0262 1.911327  331.3897       6.957478  328.8172       9.754169  334.0541       9.926821  -1.437561      3.822654  
1 1 1 5   6  16 o 252.1579 2.635516  636.1241       13.29006  643.3714       18.95598  629.1179       18.63802  2.823715       5.271033  
1 1 1 5   6  17 o 396.5657 4.120353  1572.324       32.62478  1624.663       47.82197  1526.758       44.62099  12.29721       8.240705  
1 1 1 5   6  18 o 127.9873 1.942188  163.0165       4.950326  155.1265       6.642495  172.8726       7.424182  -6.926476      3.884376  
1 1 1 5   6  19 o 261.2726 2.732092  683.1068       14.27306  692.5317       20.45498  674.1634       19.92573  3.508331       5.464184  
1 1 1 5   6  20 o 295.9211 3.084131  873.5923       18.19293  916.5373       27.07528  838.2417       24.56490  13.18777       6.168262  
1 1 1 5   6  21 o 183.2155 1.926731  335.8943       7.060132  335.9658       9.978898  335.8227       9.990179  0.3916931E-01  3.853461  
1 1 1 5   6  22 o 221.6579 2.319125  488.7093       10.22421  463.8844       13.63002  520.6513       15.46083  -12.77467      4.638251  
1 1 1 5   6  23 o 47.70174 0.7601816 20.42245       0.6810879 30.22147       1.257062  16.35054       0.8103350 14.53648       1.520363  
1 1 1 5   6  24 o 101.4419 1.113153  99.94106       2.206206  116.7555       3.617259  89.98127       2.783962  13.18953       2.226306  
1 1 1 5   6  25 o 129.2519 1.385231  167.0935       3.580169  165.2049       5.003812  169.0744       5.124597  -1.495514      2.770462  
1 1 1 5   6  26 o 186.5882 1.963451  348.3066       7.323742  342.7896       10.17411  354.2397       10.55083  -3.061676      3.926902  
1 1 1 5   6  27 f 117.8808 1.277249  138.9196       3.009527  141.8357       4.345924  136.2326       4.171650  2.374458       2.554499  
1 1 1 5   6  28 o 180.6627 1.903719  326.6643       6.877259  323.0290       9.611884  330.4774       9.844100  -2.056747      3.807438  
1 1 1 5   6  29 o 58.43264 0.7383680 33.87138       0.8587282 31.41152       1.147504  37.00237       1.294610  -4.782780      1.476736  
1 1 1 5   6  30 o 117.6519 1.274219  138.4999       2.998246  138.8658       4.253106  138.1384       4.227334  0.3087540      2.548438  
1 1 1 5   6  31 o 89.83569 1.008711  80.50372       1.808250  84.11179       2.667982  77.43810       2.459255  3.711128       2.017423  
1 1 1 5   6  32 o 130.6193 1.403958  170.7671       3.667508  169.7476       5.156646  171.8106       5.217163  -0.7882385     2.807916  
1 1 1 5   6  33 o 33.19726 0.6179118 11.01293       0.4100218 11.31637       0.5923300 10.73376       0.5681426 0.8771591      1.235824  
1 1 1 5   6  34 o 23.22799 0.6533110 5.402853       0.3031735 5.191651       0.4327879 5.606358       0.4248270 -0.8928165     1.306622  
1 1 1 5   6  35 o 33.12511 0.6196325 10.90642       0.4091558 11.90998       0.6090316 10.08089       0.5523758 2.759806       1.239265  
1 1 1 5   6  36 o 93.95479 1.053204  87.83632       1.969730  93.66472       2.964314  83.22826       2.635776  5.542198       2.106407  
1 1 1 5   6  37 o 55.62158 0.8840796 30.92488       0.9348846 30.83488       1.154170  31.09659       1.594220  -0.2195358     1.768159  
1 1 1 5   6  38 o 47.97586 1.338429  0.000000       0.000000  ?              ?         23.04338       1.284245  ?              ?         
1 1 1 5   6  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   6  40 o 58.84515 0.9536023 32.66933       1.003613  30.43913       1.162615  39.19118       1.988147  -7.394047      1.907205  
1 1 1 5   6  41 f 58.43857 0.7605757 34.17137       0.8886315 34.65635       1.276863  33.71584       1.237491  0.8028946      1.521151  
1 1 1 5   6  42 o 96.65359 1.089016  93.54959       2.103742  91.30095       2.911149  96.00742       3.043547  -2.424568      2.178032  
1 1 1 5   6  43 f 54.07083 0.7382630 29.19047       0.7967429 30.47635       1.172982  28.08901       1.085612  2.202744       1.476526  
1 1 1 5   6  44 o 10.11605 1.354348  1.079731       0.2633987 0.8268150      0.3909609 1.289947       0.3564327 -2.449358      2.708697  
1 1 1 5   6  45 o 82.57977 1.280378  67.22071       2.022845  72.84731       3.460129  64.29917       2.493304  5.054909       2.560756  
1 1 1 5   6  46 o 53.77497 0.8192498 28.95740       0.8708988 28.85690       1.146724  29.09436       1.338720  -0.2042084     1.638500  
1 1 1 5   6  47 o 94.20361 1.081359  88.73611       2.031437  93.49977       3.015291  84.77689       2.748922  4.596291       2.162717  
1 1 1 5   6  48 o 22.58776 0.8302284 5.114845       0.3750562 5.112144       0.5291703 5.117571       0.5316578 -0.1174736E-01 1.660457  
1 1 1 5   6  49 o 47.37598 0.7423552 22.46355       0.7028366 23.20502       1.019144  21.79110       0.9705570 1.487312       1.484710  
1 1 1 5   6  50 f 31.02708 0.7434511 9.647140       0.4612809 9.871530       0.6566104 9.428481       0.6481708 0.7130547      1.486902  
1 1 1 5   6  51 o 27.28397 0.7925765 7.446305       0.4312131 6.677199       0.5951431 8.296295       0.6256552 -2.963339      1.585153  
1 1 1 5   6  52 f 70.12634 0.8953794 49.20063       1.252926  51.86866       1.849818  46.93911       1.703076  3.491669       1.790759  
1 1 1 5   6  53 o 59.54163 0.8272931 35.57381       0.9851428 35.74654       1.399276  35.40406       1.387207  0.2858086      1.654586  
1 1 1 5   6  54 o 33.00235 0.7972654 10.94100       0.5256979 11.38087       0.7382880 10.48861       0.7487199 1.353455       1.594531  
1 1 1 5   6  55 o 34.67646 0.8039824 12.07464       0.5574503 12.22163       0.7829158 11.92348       0.7939067 0.4318123      1.607965  
1 1 1 5   6  56 o 23.02204 1.597053  5.527563       0.7047216 4.820921       1.130491  5.976694       0.9012686 -2.589407      3.194106  
1 1 1 5   6  57 o 24.46228 1.287532  6.138959       0.6148853 6.516040       0.8029420 5.604259       0.9561418 1.910990       2.575064  
1 1 1 5   6  58 o 32.88837 1.139823  10.96983       0.7457550 11.88661       1.035193  9.980700       1.075262  2.908630       2.279646  
1 1 1 5   7  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   7  1  o 174.8455 3.680219  0.000000       0.000000  ?              ?         305.8242       12.86940  ?              ?         
1 1 1 5   7  2  o 169.9389 2.529221  287.9845       8.573446  300.7948       12.69034  277.2283       11.62850  6.928711       5.058441  
1 1 1 5   7  3  o 555.3765 7.386404  2791.227       67.37720  2590.796       74.90322  3640.956       154.2262  -93.47598      14.77281  
1 1 1 5   7  4  o 454.0664 4.712657  2051.054       42.55433  1949.516       56.69989  2182.017       64.39342  -25.53592      9.425315  
1 1 1 5   7  5  o 469.5835 4.886185  2206.237       45.85625  2168.852       63.44663  2247.124       66.35196  -8.308167      9.772370  
1 1 1 5   7  6  o 265.6693 3.908196  706.3065       20.76407  711.2117       29.59020  701.5480       29.14454  1.815491       7.816391  
1 1 1 5   7  7  o 241.0680 2.515306  581.3377       12.12716  581.3818       17.13024  581.2933       17.17062  0.1856995E-01  5.030613  
1 1 1 5   7  8  o 160.2148 1.692589  256.3622       5.416734  249.8745       7.441129  263.6753       7.900313  -4.305435      3.385177  
1 1 1 5   7  9  o 293.9641 3.082146  862.1153       18.06093  835.8464       24.41604  893.8582       26.83966  -9.852356      6.164293  
1 1 1 5   7  10 o 495.8861 5.154920  2442.692       50.76997  2627.231       77.45066  2303.649       67.22866  32.51984       10.30984  
1 1 1 5   7  11 f 331.0112 3.449256  1096.369       22.83365  1086.306       32.09135  1106.688       32.49575  -3.075775      6.898511  
1 1 1 5   7  12 o 344.1559 3.576975  1183.590       24.58587  1218.335       35.92434  1152.979       33.71964  9.476807       7.153950  
1 1 1 5   7  13 o 507.5765 5.313183  2531.758       53.01086  2844.964       84.83390  2331.114       67.89977  50.38705       10.62637  
1 1 1 5   7  14 o 229.7200 2.397916  527.8786       11.01572  523.2214       15.43853  532.7088       15.72251  -2.063080      4.795831  
1 1 1 5   7  15 o 150.1729 1.595084  225.5611       4.790647  224.3801       6.745734  226.7628       6.804646  -0.7930603     3.190168  
1 1 1 5   7  16 o 292.9741 3.048792  857.7745       17.83978  883.9592       26.05876  834.6776       24.47423  8.393372       6.097584  
1 1 1 5   7  17 o 248.0169 2.587265  615.5354       12.83250  611.1550       18.00119  620.0615       18.29825  -1.792389      5.174531  
1 1 1 5   7  18 o 189.6412 2.819666  359.8936       10.69147  355.1532       14.90874  364.9126       15.34055  -2.567413      5.639332  
1 1 1 5   7  19 o 154.1757 1.633142  236.3810       5.010924  251.4848       7.550027  224.4900       6.699076  8.747238       3.266284  
1 1 1 5   7  20 o 147.0273 1.560349  216.1849       4.586967  213.3398       6.395875  219.1979       6.582031  -1.990433      3.120698  
1 1 1 5   7  21 f 159.6078 1.689479  254.0047       5.377039  244.1531       7.276446  265.8560       7.980835  -6.790543      3.378958  
1 1 1 5   7  22 o 198.6774 2.084874  395.0435       8.283154  391.3591       11.59684  398.8808       11.83509  -1.888992      4.169747  
1 1 1 5   7  23 o 229.4128 2.400783  521.2989       10.91379  487.9459       14.31942  567.5278       16.85838  -17.29625      4.801566  
1 1 1 5   7  24 f 112.5204 1.222563  125.4652       2.730840  117.5580       3.607162  136.0821       4.179784  -8.225906      2.445125  
1 1 1 5   7  25 o 55.77599 0.7074784 31.02884       0.7879189 29.67653       1.077276  32.58437       1.155392  -2.606239      1.414957  
1 1 1 5   7  26 o 105.6474 1.155923  111.4651       2.439287  108.1504       3.348938  115.2110       3.560082  -3.339310      2.311845  
1 1 1 5   7  27 o 110.5129 1.203162  122.1652       2.659018  121.0975       3.727836  123.2712       3.793871  -0.9826660     2.406324  
1 1 1 5   7  28 o 84.49721 0.9589875 70.81607       1.610600  66.33932       2.138416  76.68469       2.448385  -6.118439      1.917975  
1 1 1 5   7  29 o 146.6798 1.562764  214.9244       4.577447  208.4700       6.267876  222.3012       6.700758  -4.706558      3.125529  
1 1 1 5   7  30 o 149.3046 1.591127  223.1344       4.750999  224.5401       6.761015  221.7632       6.677617  0.9280243      3.182253  
1 1 1 5   7  31 o 153.8014 1.635696  236.7077       5.029169  232.7024       6.987091  241.0135       7.244530  -2.695053      3.271392  
1 1 1 5   7  32 o 75.89154 0.8891263 56.89065       1.337122  62.89245       2.068029  52.57918       1.752784  6.789268       1.778253  
1 1 1 5   7  33 o 130.3601 1.403463  170.1164       3.658395  172.0693       5.236306  168.2541       5.113387  1.459351       2.806927  
1 1 1 5   7  34 o 81.69700 0.9386278 66.78850       1.533613  66.98242       2.178777  66.59807       2.159071  0.2347260      1.877256  
1 1 1 5   7  35 o 90.71347 1.022839  82.36548       1.855623  82.76501       2.639116  81.97484       2.609626  0.4345322      2.045678  
1 1 1 5   7  36 o 105.1325 1.441543  109.0772       2.789455  115.0614       5.119999  106.5511       3.326499  3.955132       2.883085  
1 1 1 5   7  37 o 67.12827 1.176085  44.56938       1.564121  49.21086       2.421220  41.24508       2.049067  5.913925       2.352170  
1 1 1 5   7  38 f 59.11948 0.9400685 34.35899       1.027423  33.38005       1.227980  36.64349       1.875900  -2.731617      1.880137  
1 1 1 5   7  39 o 65.51782 0.9724588 43.72501       1.240408  46.73155       1.614668  39.39584       1.937547  5.614510       1.944918  
1 1 1 5   7  40 o 77.44691 1.270545  60.11406       1.967582  61.06532       2.818116  59.20933       2.748359  1.193268       2.541090  
1 1 1 5   7  41 o 63.28348 1.103517  39.85648       1.389696  37.47978       1.855963  42.88951       2.096623  -4.256683      2.207035  
1 1 1 5   7  42 o 49.21534 0.8422778 23.92739       0.7822756 25.23793       1.369805  23.29310       0.9529595 1.951469       1.684556  
1 1 1 5   7  43 o 40.75394 0.6732355 16.55127       0.5473268 17.67920       0.8103797 15.60520       0.7421827 2.540836       1.346471  
1 1 1 5   7  44 o 32.11526 0.6778548 10.31670       0.4351955 10.69666       0.6261503 9.961615       0.6052982 1.143126       1.355710  
1 1 1 5   7  45 o 65.66889 0.8341492 43.15070       1.094242  44.39516       1.594871  42.04385       1.504100  1.782471       1.668298  
1 1 1 5   7  46 o 46.87827 0.7126579 21.82600       0.6649598 23.92634       1.002173  20.17402       0.8887931 3.993374       1.425316  
1 1 1 5   7  47 o 19.18909 0.8464175 3.713334       0.3228578 3.335767       0.4650817 4.064533       0.4485469 -1.900589      1.692835  
1 1 1 5   7  48 o 21.92738 0.8077567 4.839314       0.3527070 4.392757       0.5043633 5.266706       0.4934225 -1.993996      1.615513  
1 1 1 5   7  49 o 73.64520 0.9128354 54.39399       1.344046  55.11196       1.931221  53.71959       1.871713  0.9377899      1.825671  
1 1 1 5   7  50 o 17.92564 0.9933501 3.223964       0.3480259 2.372786       0.4750457 4.210096       0.5113196 -5.119637      1.986700  
1 1 1 5   7  51 o 19.76309 0.9669408 3.932360       0.3792823 4.557973       0.5427188 3.335119       0.5302701 3.091805       1.933882  
1 1 1 5   7  52 o 26.15612 0.8224901 6.865144       0.4284800 7.717534       0.6150188 6.061176       0.5972944 3.163734       1.644980  
1 1 1 5   7  53 o 36.21849 0.7650686 13.13098       0.5535942 12.56483       0.7617724 13.76462       0.8058898 -1.650093      1.530137  
1 1 1 5   7  54 o 52.47484 1.040183  27.52257       0.9964682 28.15078       1.840868  27.26221       1.185104  0.7132339      2.080365  
1 1 1 5   7  55 o 42.54987 0.9748673 17.48256       0.7690582 16.36922       0.9150656 20.16048       1.419179  -4.345745      1.949735  
1 1 1 5   7  56 o 32.00222 0.9742013 10.33497       0.6213599 9.822630       0.9027342 10.79624       0.8565544 -1.531349      1.948403  
1 1 1 5   7  57 f 46.67281 1.088151  21.96534       1.014458  23.46388       1.447598  20.51920       1.422062  3.147606       2.176302  
1 1 1 5   7  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   8  0  f 391.2228 5.751920  1531.861       45.00564  1531.861       45.00564  ?              ?         ?              ?         
1 1 1 5   8  1  o 296.1207 4.360550  872.3513       25.68449  927.3746       38.81060  829.4741       34.26020  16.49408       8.721101  
1 1 1 5   8  2  o 400.1801 5.878379  1580.638       46.43468  1467.600       60.16221  1747.200       73.02941  -34.79398      11.75676  
1 1 1 5   8  3  f 177.2134 2.626750  314.1354       9.309269  316.2410       13.25853  312.0880       13.07400  1.170837       5.253500  
1 1 1 5   8  4  f 405.7236 5.037777  1672.332       40.17435  1490.596       60.69410  1814.046       53.59591  -39.92850      10.07555  
1 1 1 5   8  5  f 340.5605 3.541222  1160.341       24.11605  1146.232       33.73509  1175.087       34.48785  -4.231201      7.082445  
1 1 1 5   8  6  f 383.5599 3.982985  1472.268       30.55078  1485.775       43.60418  1459.243       42.81722  3.452515       7.965971  
1 1 1 5   8  7  o 410.4842 4.265549  1679.076       34.87991  1606.689       46.90208  1768.646       52.17315  -19.68292      8.531098  
1 1 1 5   8  8  o 443.0193 4.633018  1954.664       40.87650  2073.956       61.29617  1859.126       54.85488  24.18573       9.266036  
1 1 1 5   8  9  o 344.7907 3.580463  1187.617       24.65148  1225.380       36.08707  1154.578       33.75462  10.24982       7.160927  
1 1 1 5   8  10 o 219.7775 2.295689  483.1816       10.09077  484.0120       14.29515  482.3569       14.24599  0.3762970      4.591378  
1 1 1 5   8  11 o 287.1143 2.987698  823.2864       17.12700  850.4919       25.10929  799.6162       23.42119  8.847443       5.975397  
1 1 1 5   8  12 o 354.2167 3.677468  1255.977       26.05238  1257.217       36.87975  1254.742       36.80761  0.3486328      7.354936  
1 1 1 5   8  13 o 255.5795 2.665784  652.0495       13.59855  676.6255       20.01016  630.9595       18.53676  8.922348       5.331567  
1 1 1 5   8  14 o 187.2835 1.965235  350.8741       7.361094  351.3500       10.42658  350.4010       10.39382  0.2531586      3.930469  
1 1 1 5   8  15 o 282.9736 2.945201  799.8522       16.63932  827.4793       24.40640  775.8596       22.74449  9.102997       5.890401  
1 1 1 5   8  16 o 236.1071 2.464969  557.7016       11.63704  550.9050       16.24177  564.8712       16.68157  -2.953033      4.929938  
1 1 1 5   8  17 o 307.5616 3.200186  946.5777       19.67303  929.4431       27.25833  965.2061       28.42186  -5.796295      6.400372  
1 1 1 5   8  18 o 160.6559 2.411849  258.2903       7.748168  260.2009       11.07927  256.4615       10.83978  1.160736       4.823699  
1 1 1 5   8  19 o 428.4952 4.457366  1841.427       38.18394  1868.920       54.92974  1815.720       53.11639  6.159698       8.914733  
1 1 1 5   8  20 o 158.4065 1.676662  249.9137       5.291279  238.8492       7.117665  263.5825       7.911057  -7.797745      3.353324  
1 1 1 5   8  21 o 27.63803 0.5666915 7.633491       0.3128678 7.122791       0.4364021 8.173576       0.4487813 -1.900921      1.133383  
1 1 1 5   8  22 o 125.4512 1.346241  157.3829       3.376689  155.1257       4.704832  159.7806       4.849157  -1.853706      2.692483  
1 1 1 5   8  23 f 131.4692 1.406827  172.8893       3.698617  171.2739       5.181049  174.5682       5.281672  -1.251755      2.813655  
1 1 1 5   8  24 o 52.47437 0.6902392 27.24223       0.7193552 30.03231       1.099382  25.15332       0.9512618 4.648045       1.380478  
1 1 1 5   8  25 o 130.9347 1.403732  171.2527       3.671133  166.4973       5.039302  176.6306       5.358964  -3.865479      2.807464  
1 1 1 5   8  26 o 212.4608 2.228261  451.9977       9.467863  454.5665       13.47284  449.4912       13.30785  1.190750       4.456522  
1 1 1 5   8  27 o 24.55175 0.6376318 5.960929       0.3084450 4.652816       0.4145983 7.582375       0.4615898 -5.965769      1.275264  
1 1 1 5   8  28 o 213.1661 2.235771  455.0261       9.529599  449.6629       13.30626  460.6735       13.65425  -2.573486      4.471542  
1 1 1 5   8  29 o 68.02705 0.8160024 45.59569       1.099254  41.62701       1.436803  51.19774       1.707055  -7.031494      1.632005  
1 1 1 5   8  30 o 98.28941 1.092604  96.54804       2.145978  94.11673       2.961372  99.23665       3.114129  -2.601868      2.185207  
1 1 1 5   8  31 f 35.08697 0.6233430 11.97799       0.4314214 14.74734       0.6785376 10.09878       0.5589482 6.623007       1.246686  
1 1 1 5   8  32 o 118.2931 1.284999  139.9845       3.038592  137.3398       4.216970  142.8405       4.382228  -2.320335      2.569997  
1 1 1 5   8  33 o 126.6385 1.367338  160.5858       3.463106  159.8292       4.881803  161.3521       4.913494  -0.6001663     2.734677  
1 1 1 5   8  34 f 53.91341 1.041298  28.98887       1.120751  27.02483       1.533586  31.24018       1.641916  -3.905853      2.082595  
1 1 1 5   8  35 f 89.83179 1.451812  80.61372       2.601793  84.21144       3.847086  77.58112       3.532050  3.674759       2.903624  
1 1 1 5   8  36 o 34.41171 0.6745191 11.48778       0.4547221 10.17644       0.5765174 13.64661       0.7397135 -5.037569      1.349038  
1 1 1 5   8  37 o 57.32021 0.7470694 32.82263       0.8556212 31.57932       1.178938  34.20633       1.243721  -2.289310      1.494139  
1 1 1 5   8  38 o 92.06982 1.041342  84.67191       1.913890  81.41383       2.610798  88.45663       2.813897  -3.814125      2.082683  
1 1 1 5   8  39 o 49.99765 0.9530454 24.97241       0.9518005 26.29638       1.388793  23.79975       1.307024  2.492516       1.906091  
1 1 1 5   8  40 o 19.30769 0.7535180 3.720894       0.2904421 4.049367       0.4224807 3.426536       0.3999400 1.611891       1.507036  
1 1 1 5   8  41 o 67.31149 0.8316892 45.21284       1.116878  47.54161       1.651566  43.25038       1.516120  3.179672       1.663378  
1 1 1 5   8  42 o 97.97375 1.546746  96.14334       3.022692  92.28424       4.098102  100.7477       4.476367  -4.275978      3.093493  
1 1 1 5   8  43 o 20.04839 0.9868302 4.008489       0.3939394 3.512100       0.5383473 4.580678       0.5779918 -2.661707      1.973660  
1 1 1 5   8  44 f 69.76646 1.032875  48.92965       1.373862  48.43035       2.319037  49.19965       1.705339  -0.6113586     2.065750  
1 1 1 5   8  45 o 17.15989 0.9416833 2.918141       0.3122802 4.102709       0.4711947 1.990328       0.4170138 6.149792       1.883367  
1 1 1 5   8  46 o 17.17085 0.9138759 2.937135       0.3117417 3.458829       0.4597642 2.493180       0.4241275 2.808177       1.827752  
1 1 1 5   8  47 o 19.71741 0.8434826 3.858582       0.3308587 4.432955       0.4955826 3.396723       0.4444004 2.622265       1.686965  
1 1 1 5   8  48 o 39.95247 0.7076385 15.99907       0.5652080 15.59559       0.8032888 16.39468       0.7954190 -1.000793      1.415277  
1 1 1 5   8  49 f 7.747118 1.693837  0.5964845      0.2902741 0.7190346      0.4271688 0.4913473      0.3956587 1.193980       3.387673  
1 1 1 5   8  50 o 9.668036 1.553023  0.9687194      0.2911506 1.082953       0.4479099 0.8851368      0.3831348 0.9695644      3.106046  
1 1 1 5   8  51 o 63.32446 0.9160479 40.41534       1.155360  42.49592       1.590919  38.09352       1.680622  3.490288       1.832096  
1 1 1 5   8  52 o 56.31881 0.8128585 31.82242       0.9155315 31.88217       1.302323  31.76404       1.287322  0.1027145      1.625717  
1 1 1 5   8  53 o 11.54042 2.302238  1.342035       0.5439432 1.745979       0.8885555 1.099931       0.6879004 2.491997       4.604475  
1 1 1 5   8  54 f 42.72209 0.7862847 18.25883       0.6707365 17.03533       0.9202035 19.64573       0.9797211 -3.045494      1.572569  
1 1 1 5   8  55 o 16.78061 1.203191  2.842008       0.4036925 2.804520       0.5752695 2.878380       0.5666431 -0.2223644     2.406382  
1 1 1 5   8  56 f 54.01936 1.112275  29.32083       1.199451  31.83545       1.751421  27.09971       1.646040  4.355930       2.224549  
1 1 1 5   8  57 o 18.66457 1.433672  3.415765       0.5233365 3.003347       0.6609606 4.108781       0.8567989 -2.891270      2.867344  
1 1 1 5   8  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   9  0  o 476.7195 4.987803  2243.589       46.98948  2081.586       61.07654  2478.560       73.55637  -41.51450      9.975606  
1 1 1 5   9  1  o 240.7441 2.511794  578.4339       12.06887  599.6781       17.76294  560.2172       16.44864  8.189163       5.023587  
1 1 1 5   9  2  o 194.1482 2.035476  376.8499       7.900541  371.2727       10.98952  382.8157       11.36609  -2.971237      4.070953  
1 1 1 5   9  3  o 97.76337 1.300923  95.44247       2.399997  95.15475       2.939438  96.01781       4.156765  -0.4383163     2.601845  
1 1 1 5   9  4  o 152.7547 1.982566  232.0582       5.671337  229.6392       6.882646  237.1747       10.00974  -2.454361      3.965132  
1 1 1 5   9  5  o 329.7296 4.845630  1087.515       31.92537  1063.424       44.03229  1114.215       46.35583  -7.679230      9.691259  
1 1 1 5   9  6  o 368.0278 5.435176  1351.723       39.84080  1410.025       59.58258  1304.574       53.58089  14.25916       10.87035  
1 1 1 5   9  7  o 459.1663 6.750473  2109.585       61.87013  2045.055       84.40863  2184.509       90.95252  -15.09024      13.50095  
1 1 1 5   9  8  o 564.3828 7.249507  3146.553       75.63083  3325.661       137.7962  3069.336       90.47678  21.93250       14.49901  
1 1 1 5   9  9  o 225.0455 2.349945  506.2508       10.56981  517.0053       15.28659  496.3991       14.63089  4.574432       4.699890  
1 1 1 5   9  10 o 287.9535 2.996405  828.3629       17.23209  854.2047       25.18370  805.6113       23.63012  8.425415       5.992809  
1 1 1 5   9  11 o 102.1225 1.112930  104.2308       2.271923  102.2575       3.152226  106.3638       3.277396  -2.010086      2.225860  
1 1 1 5   9  12 o 243.9850 2.548792  593.8409       12.40485  619.2414       18.35228  572.4736       16.83231  9.572067       5.097584  
1 1 1 5   9  13 o 107.6139 1.177979  115.7352       2.533894  118.3159       3.658971  113.3571       3.512453  2.303360       2.355958  
1 1 1 5   9  14 o 83.82004 0.9416038 69.45381       1.564718  76.24966       2.413264  64.52461       2.055283  6.992867       1.883208  
1 1 1 5   9  15 o 387.0825 4.023686  1492.768       30.99769  1584.674       46.67820  1420.265       41.45914  21.14474       8.047373  
1 1 1 5   9  16 o 155.6183 1.648015  241.6869       5.118881  250.9012       7.530914  233.7738       6.978938  5.498550       3.296030  
1 1 1 5   9  17 o 452.6240 4.706906  2055.139       42.60065  2080.081       60.98472  2031.369       59.53430  5.343964       9.413812  
1 1 1 5   9  18 o 163.6466 1.735978  267.8669       5.680442  271.2525       8.138398  264.6505       7.932283  2.014954       3.471956  
1 1 1 5   9  19 o 290.4270 3.026628  844.8461       17.57713  836.7811       24.58241  853.2828       25.14269  -2.829041      6.053255  
1 1 1 5   9  20 o 455.9922 4.765615  2082.887       43.31113  2169.793       64.47446  2011.420       58.46754  17.13953       9.531230  
1 1 1 5   9  21 o 47.34012 0.6479925 21.51076       0.5995708 18.30677       0.7562076 26.93438       0.9838755 -9.111183      1.295985  
1 1 1 5   9  22 o 410.1152 4.277455  1683.986       34.98991  1628.083       47.46241  1750.539       51.78624  -14.78476      8.554911  
1 1 1 5   9  23 o 170.4339 1.799843  290.5769       6.132814  286.2833       8.535142  295.1598       8.817990  -2.599762      3.599686  
1 1 1 5   9  24 f 77.94391 0.8973004 60.74325       1.398398  59.88028       1.950211  61.65652       2.006247  -1.138969      1.794601  
1 1 1 5   9  25 o 68.85271 0.8182850 47.36626       1.126014  46.17255       1.556892  48.67551       1.630505  -1.817024      1.636570  
1 1 1 5   9  26 o 33.52662 0.6157405 10.91253       0.4067086 13.75212       0.6395000 8.983941       0.5270250 7.110296       1.231481  
1 1 1 5   9  27 o 143.2885 1.530061  204.6877       4.371185  196.1325       5.908606  215.0307       6.496745  -6.584061      3.060121  
1 1 1 5   9  28 o 62.05527 0.8373938 38.38681       1.025278  37.73750       1.338804  39.30769       1.594377  -1.262352      1.674788  
1 1 1 5   9  29 o 93.47945 1.044466  87.37277       1.951910  85.67146       2.713151  89.19803       2.810245  -1.884712      2.088933  
1 1 1 5   9  30 o 80.78687 0.9309932 64.99483       1.498947  68.71011       2.235933  61.96215       2.020118  4.172958       1.861986  
1 1 1 5   9  31 o 95.77257 1.315103  92.48531       2.390018  89.68340       4.053802  93.97818       2.958989  -2.272110      2.630206  
1 1 1 5   9  32 o 78.91037 1.312276  62.34248       2.070915  62.29259       2.944528  62.39130       2.913157  -0.6354523E-01 2.624552  
1 1 1 5   9  33 o 120.3576 1.860208  145.2663       4.477601  144.1719       6.295637  146.3866       6.369576  -0.9159546     3.720415  
1 1 1 5   9  34 o 114.9212 1.253895  132.0710       2.878708  128.4153       3.958811  136.1730       4.193537  -3.365349      2.507791  
1 1 1 5   9  35 o 46.90019 0.6702819 21.98363       0.6283736 21.06301       0.8733945 22.97152       0.9047431 -2.033852      1.340564  
1 1 1 5   9  36 o 50.03794 0.6916832 25.04994       0.6920975 25.22104       0.9890031 24.88574       0.9688552 0.3344231      1.383366  
1 1 1 5   9  37 o 111.1488 1.221399  123.7686       2.714812  122.4218       3.803502  125.1674       3.876178  -1.230858      2.442797  
1 1 1 5   9  38 o 104.8038 1.164429  110.0578       2.440637  110.5021       3.469589  109.6226       3.433852  0.4173965      2.328858  
1 1 1 5   9  39 o 44.45378 0.6761916 19.52996       0.5974097 17.41708       0.7941453 22.28441       0.9067355 -5.470287      1.352383  
1 1 1 5   9  40 o 71.04397 0.8594729 50.52379       1.220763  51.21857       1.754648  49.87197       1.699512  0.9445496      1.718946  
1 1 1 5   9  41 o 15.37370 0.9640532 2.328108       0.2738228 3.798296       0.4236484 1.273235       0.3588551 8.208188       1.928106  
1 1 1 5   9  42 o 56.24672 0.7521622 31.67944       0.8460913 31.38781       1.198305  31.96938       1.194810  -0.5171928     1.504324  
1 1 1 5   9  43 o 20.17561 0.7724029 4.085212       0.3109998 3.831469       0.4440578 4.329494       0.4357014 -1.234804      1.544806  
1 1 1 5   9  44 o 46.04877 0.8561952 21.03887       0.7547280 20.54073       0.9347125 21.97202       1.279320  -1.523941      1.712390  
1 1 1 5   9  45 o 50.77228 0.9942362 25.85633       1.009572  25.62733       1.425344  26.08689       1.430169  -0.4520531     1.988472  
1 1 1 5   9  46 o 10.84165 1.515534  1.241415       0.3119738 1.072724       0.5022158 1.347413       0.3981002 -1.474281      3.031067  
1 1 1 5   9  47 o 23.22274 0.7874164 5.409086       0.3654557 5.208234       0.5192013 5.606313       0.5144957 -0.8575764     1.574833  
1 1 1 5   9  48 o 31.01291 0.7266743 9.622557       0.4486473 8.405134       0.6206903 10.95454       0.6492380 -4.107389      1.453349  
1 1 1 5   9  49 o 57.82854 0.7939556 33.50813       0.9176054 34.04298       1.327190  33.01833       1.270073  0.8792953      1.587911  
1 1 1 5   9  50 o 18.74442 0.9022948 3.510521       0.3373317 3.744419       0.5002568 3.315481       0.4568155 1.137806       1.804590  
1 1 1 5   9  51 o 56.72105 1.207697  32.29771       1.362833  33.43132       2.049095  31.39851       1.824988  1.744251       2.415394  
1 1 1 5   9  52 f 45.56600 0.9571741 20.52167       0.8157594 19.93056       0.9849323 21.81296       1.455739  -1.984501      1.914348  
1 1 1 5   9  53 o 45.41402 0.8500482 20.68367       0.7640911 20.53937       1.008914  20.87775       1.170086  -0.3453636     1.700096  
1 1 1 5   9  54 o 25.18646 0.9996002 6.492709       0.4886393 5.884129       0.7707619 6.901679       0.6318407 -2.050268      1.999200  
1 1 1 5   9  55 o 33.07831 0.9402435 11.03376       0.6193604 10.61948       0.9089478 11.39283       0.8462273 -1.182110      1.880487  
1 1 1 5   9  56 o 29.38748 1.103850  8.511634       0.6386508 7.656167       0.8198620 9.831817       1.018489  -3.647518      2.207700  
1 1 1 5   9  57 o 33.97639 1.329306  11.14659       0.8557705 13.36702       1.522014  10.12013       1.034840  4.619856       2.658613  
1 1 1 5   10 0  o 325.3662 3.381219  1055.929       21.94237  1103.253       32.50278  1016.301       29.74294  13.34320       6.762437  
1 1 1 5   10 1  o 488.5568 5.084149  2378.214       49.46989  2265.006       66.41144  2519.336       74.14817  -25.94769      10.16830  
1 1 1 5   10 2  o 413.7796 4.298917  1698.558       35.29892  1598.489       46.57816  1833.572       54.10316  -28.33899      8.597835  
1 1 1 5   10 3  o 262.5405 2.734333  688.6038       14.33969  708.4051       20.91023  671.0240       19.70238  7.112030       5.468667  
1 1 1 5   10 4  o 97.19191 1.063649  94.32624       2.065115  97.28168       3.010133  91.69833       2.838450  2.871925       2.127297  
1 1 1 5   10 5  o 137.4397 1.461765  188.8474       4.016710  191.6596       5.771698  186.2063       5.593467  1.983276       2.923531  
1 1 1 5   10 6  o 282.3253 2.938334  797.1935       16.58487  785.4930       23.07336  809.7004       23.85528  -4.281525      5.876669  
1 1 1 5   10 7  o 177.1535 2.294793  310.4791       7.543177  304.8251       9.063765  323.2188       13.60544  -5.164978      4.589585  
1 1 1 5   10 8  o 461.7244 6.784923  2138.660       62.63494  2109.244       87.25833  2169.927       89.96189  -6.521271      13.56985  
1 1 1 5   10 9  f 187.8261 2.793627  353.0045       10.49331  352.3988       14.73191  353.6283       14.95006  -0.3255157     5.587254  
1 1 1 5   10 10 o 152.9256 2.285704  233.9606       6.990674  235.3950       9.929577  232.5510       9.843597  0.9292603      4.571408  
1 1 1 5   10 11 f 402.7441 5.125438  1625.685       38.92453  1627.635       67.41744  1624.710       47.67326  0.2023315E-01  10.25088  
1 1 1 5   10 12 o 415.6859 4.317804  1731.418       35.89697  1732.720       50.75083  1730.114       50.78115  0.3138733      8.635608  
1 1 1 5   10 13 o 523.6871 5.444925  2714.448       56.35174  2990.932       88.17258  2523.537       73.26804  44.28101       10.88985  
1 1 1 5   10 14 o 173.5928 1.828579  301.3598       6.346351  305.7543       9.119909  297.2338       8.836967  2.451736       3.657158  
1 1 1 5   10 15 o 87.33028 0.9853505 76.02675       1.716774  79.69935       2.538024  72.92900       2.330942  3.875237       1.970701  
1 1 1 5   10 16 o 357.7464 3.721374  1282.533       26.62351  1292.782       37.97396  1272.624       37.33678  2.803802       7.442749  
1 1 1 5   10 17 o 246.5815 3.651646  608.0666       17.97120  630.7096       26.45058  588.6520       24.49244  8.482162       7.303292  
1 1 1 5   10 18 o 109.0321 1.186946  118.6402       2.583524  123.2338       3.795016  114.6726       3.526996  3.923668       2.373892  
1 1 1 5   10 19 o 251.9297 2.632110  635.6118       13.26085  640.6248       18.91199  630.7632       18.59926  1.950577       5.264221  
1 1 1 5   10 20 f 118.7151 1.281914  140.5243       3.035407  146.9713       4.495576  135.1225       4.115048  4.986588       2.563828  
1 1 1 5   10 21 o 171.3853 1.808964  293.9325       6.200394  295.2401       8.811560  292.6501       8.726422  0.7543640      3.617928  
1 1 1 5   10 22 o 99.39958 1.101098  98.82160       2.188849  99.82542       3.115831  97.84357       3.075561  0.9965286      2.202197  
1 1 1 5   10 23 o 207.5746 2.178153  431.3238       9.041237  427.1642       12.65596  435.6594       12.92063  -2.041046      4.356305  
1 1 1 5   10 24 o 283.5038 2.957691  805.6959       16.77024  807.1446       23.76563  804.2588       23.66806  0.5061035      5.915382  
1 1 1 5   10 25 o 69.95941 0.8492898 48.57649       1.182716  52.83518       1.781571  45.22068       1.581477  5.440269       1.698580  
1 1 1 5   10 26 f 218.0833 2.286880  476.4100       9.974560  477.0258       14.13086  475.7986       14.08158  0.2800751      4.573760  
1 1 1 5   10 27 f 74.60164 0.8720446 55.27384       1.294180  59.38375       1.956284  52.07533       1.725801  4.895699       1.744089  
1 1 1 5   10 28 o 131.3000 1.410877  172.4995       3.704204  170.3943       5.175607  174.7104       5.303817  -1.640839      2.821754  
1 1 1 5   10 29 o 26.06235 0.8733044 5.350574       0.3809325 9.763751       0.8908109 4.362974       0.4214058 10.35427       1.746609  
1 1 1 5   10 30 o 100.6472 1.591514  101.1645       3.196196  105.4167       4.716680  97.55414       4.346220  3.893906       3.183027  
1 1 1 5   10 31 o 27.62069 0.8008717 6.461571       0.3936882 5.269108       0.4489270 10.43235       0.8192028 -9.339613      1.601743  
1 1 1 5   10 32 f 126.7182 1.369506  160.5062       3.465671  155.4658       4.747522  166.2565       5.070836  -4.245224      2.739012  
1 1 1 5   10 33 o 13.22677 0.9222449 1.740770       0.2359728 2.413324       0.3524524 1.194370       0.3176815 4.606874       1.844490  
1 1 1 5   10 34 o 26.07858 0.6322266 6.767461       0.3288472 7.334743       0.4871646 6.292603       0.4457151 1.997131       1.264453  
1 1 1 5   10 35 f 64.68918 0.7981331 41.69165       1.029820  39.40361       1.395019  44.43179       1.526636  -3.881805      1.596266  
1 1 1 5   10 36 o 62.03234 0.7803707 38.49366       0.9679452 37.56189       1.352448  39.47213       1.385929  -1.538502      1.560741  
1 1 1 5   10 37 o 119.1085 1.300919  142.0003       3.095056  146.3545       4.516005  138.1436       4.250216  3.428925       2.601839  
1 1 1 5   10 38 o 71.25493 0.8616579 50.59295       1.224321  47.85955       1.655472  53.89287       1.818955  -4.225853      1.723316  
1 1 1 5   10 39 o 76.56033 0.9065050 58.50752       1.384433  61.26319       2.048861  56.19220       1.878040  3.302055       1.813010  
1 1 1 5   10 40 o 39.68627 0.6590030 15.75473       0.5228236 15.09231       0.7307419 16.44945       0.7483406 -1.709019      1.318006  
1 1 1 5   10 41 o 124.7720 1.362517  155.5260       3.386869  147.9915       4.554102  164.8503       5.066236  -6.702423      2.725033  
1 1 1 5   10 42 f 34.78737 0.6696860 12.08050       0.4651340 12.69413       0.6827017 11.54890       0.6354363 1.643333       1.339372  
1 1 1 5   10 43 o 58.26214 0.7710747 33.94403       0.8977090 32.58955       1.238819  35.44178       1.302692  -2.442932      1.542149  
1 1 1 5   10 44 o 30.07656 0.6843932 9.014921       0.4106196 9.694311       0.6078119 8.444528       0.5569265 2.073997       1.368786  
1 1 1 5   10 45 f 55.45246 0.9923906 31.70924       1.032835  28.23571       1.747647  33.57357       1.280350  -4.865040      1.984781  
1 1 1 5   10 46 o 30.56232 0.8206953 9.359220       0.4908450 9.344103       0.6318017 9.382236       0.7795798 -0.4705811E-01 1.641391  
1 1 1 5   10 47 o 56.60371 1.057300  31.97020       1.192571  34.64842       1.782038  29.79787       1.604930  4.259228       2.114599  
1 1 1 5   10 48 o 72.70527 1.086766  52.84949       1.498665  53.95379       2.576720  52.28497       1.842328  1.033707       2.173531  
1 1 1 5   10 49 o 36.71998 1.023160  13.44848       0.6403734 13.72760       1.317037  13.36206       0.7328311 0.4103889      2.046319  
1 1 1 5   10 50 o 13.38226 1.992701  2.132242       0.5571908 0.5240579      0.8712195 3.245308       0.7248036 -9.085685      3.985402  
1 1 1 5   10 51 o 27.62089 0.7789846 7.650095       0.4296803 7.692034       0.6257899 7.612689       0.5910192 0.1388397      1.557969  
1 1 1 5   10 52 o 18.19046 1.029930  3.318227       0.3710348 3.396365       0.5686263 3.260291       0.4896343 0.3584576      2.059859  
1 1 1 5   10 53 o 6.669269 1.781239  0.3345517      0.3200894 0.2808936      0.5168921 0.3679275      0.4076597 0.1283321      3.562479  
1 1 1 5   10 54 f 41.12011 0.9826871 16.98972       0.8076598 17.69395       1.166520  16.34130       1.119347  1.634491       1.965374  
1 1 1 5   10 55 o 24.71465 1.136653  6.065104       0.5573593 5.385667       0.7346758 6.986395       0.8554986 -3.206516      2.273306  
1 1 1 5   10 56 o 5.449903 1.757347  -0.3608916     0.4113589 -0.4072763     0.5223695 -0.2851679     0.6674309 -1.065300      3.514693  
1 1 1 5   10 57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   11 0  o 431.3014 4.483911  1861.548       38.65879  1826.067       53.65061  1899.865       55.75359  -8.532379      8.967822  
1 1 1 5   11 1  o 211.8658 2.217233  448.4173       9.384205  461.0374       13.67109  437.1726       12.90460  5.627853       4.434467  
1 1 1 5   11 2  f 339.0833 3.523806  1149.439       23.87206  1178.904       34.72338  1123.031       32.87294  8.222321       7.047612  
1 1 1 5   11 3  o 251.5919 2.623140  632.5696       13.18606  648.9956       19.16674  617.8090       18.16903  6.191055       5.246281  
1 1 1 5   11 4  f 384.5095 3.995186  1480.131       30.72080  1470.513       43.09620  1490.068       43.80400  -2.535248      7.990371  
1 1 1 5   11 5  o 208.8830 2.186603  436.0345       9.126776  426.4007       12.59376  446.6909       13.24529  -4.852844      4.373206  
1 1 1 5   11 6  o 486.5161 5.049755  2363.845       48.99066  2272.605       66.30747  2473.523       72.69939  -20.55383      10.09951  
1 1 1 5   11 7  o 200.2445 2.101458  399.2148       8.382516  421.7580       12.54453  381.0282       11.26739  10.16167       4.202916  
1 1 1 5   11 8  f 77.52863 0.8827633 59.97381       1.366509  62.40378       2.003924  57.86170       1.868270  2.928894       1.765527  
1 1 1 5   11 9  o 288.9515 3.006616  835.1813       17.36598  820.8923       24.09197  850.6353       25.05472  -5.136322      6.013231  
1 1 1 5   11 10 o 39.88801 0.7091939 15.95662       0.5421068 16.07099       0.6772425 15.75264       0.9044408 0.3996773      1.418388  
1 1 1 5   11 11 o 125.8039 1.654508  157.6065       3.904823  156.2831       4.749072  160.3683       6.860708  -1.608788      3.309016  
1 1 1 5   11 12 o 215.9408 3.191675  466.0148       13.76131  482.1876       20.17065  451.9322       18.82211  6.985199       6.383350  
1 1 1 5   11 13 o 260.9694 3.849059  682.5044       20.08956  684.2690       28.48343  680.7576       28.33897  0.6699524      7.698119  
1 1 1 5   11 14 o 138.8904 2.086765  187.5473       5.657921  217.8903       9.295870  169.6922       7.130878  17.32590       4.173531  
1 1 1 5   11 15 o 222.6675 2.858530  494.6493       11.93405  501.8704       20.97408  491.1923       14.51224  2.285355       5.717060  
1 1 1 5   11 16 o 336.7011 4.050022  1137.148       27.26902  1126.859       38.17959  1147.862       38.96072  -3.097046      8.100044  
1 1 1 5   11 17 o 397.9571 4.141624  1585.390       32.88608  1649.209       48.53700  1531.229       44.71376  14.70026       8.283249  
1 1 1 5   11 18 o 183.3004 1.929126  335.7719       7.063117  345.7479       10.30576  326.9355       9.699315  5.122131       3.858251  
1 1 1 5   11 19 o 283.9772 2.960559  806.5761       16.78908  832.4000       24.56537  783.9412       22.99867  8.496033       5.921117  
1 1 1 5   11 20 o 207.2997 2.174329  430.0928       9.012916  425.3545       12.59479  435.0660       12.90318  -2.336960      4.348657  
1 1 1 5   11 21 o 231.2057 2.419823  535.3365       11.18941  536.3208       15.86694  534.3628       15.78185  0.4216309      4.839646  
1 1 1 5   11 22 o 38.43288 0.6384067 14.73201       0.4900327 15.75085       0.7141343 13.82539       0.6736576 2.504719       1.276813  
1 1 1 5   11 23 o 222.1584 2.326993  494.2905       10.33905  492.7559       14.57150  495.8465       14.67227  -0.6932373     4.653987  
1 1 1 5   11 24 o 52.30932 0.7013440 27.36265       0.7336759 27.04426       1.029529  27.69118       1.045812  -0.6182404     1.402688  
1 1 1 5   11 25 o 215.6328 2.262048  465.3383       9.747937  475.8553       14.12051  455.7630       13.47356  4.641953       4.524096  
1 1 1 5   11 26 o 58.48586 0.9526702 34.46643       1.042027  33.50988       1.820804  34.93228       1.270685  -1.222729      1.905340  
1 1 1 5   11 27 f 30.92591 1.049789  9.521112       0.6475569 8.667472       0.8829936 10.51448       0.9525210 -2.985062      2.099577  
1 1 1 5   11 28 o 114.2908 1.777862  130.0491       4.043989  138.3135       6.090960  123.5343       5.407905  6.445320       3.555724  
1 1 1 5   11 29 o 30.34336 0.6817064 9.147101       0.4098733 8.777575       0.5393693 9.652122       0.6305494 -1.439823      1.363413  
1 1 1 5   11 30 o 95.08250 1.065705  89.27116       2.006433  82.49268       2.623335  98.82567       3.114518  -8.576622      2.131409  
1 1 1 5   11 31 f 110.9108 1.216076  123.1471       2.697417  122.3300       3.794519  123.9819       3.835257  -0.7432938     2.432153  
1 1 1 5   11 32 f 55.51067 0.7248117 30.69638       0.8028288 28.86297       1.091147  32.86040       1.185449  -3.598370      1.449623  
1 1 1 5   11 33 o 46.61032 0.6672347 21.72767       0.6218894 21.20162       0.8710063 22.27471       0.8882151 -1.150726      1.334469  
1 1 1 5   11 34 o 52.14986 0.7033849 27.12021       0.7323393 25.59711       1.000632  28.87714       1.074698  -3.142578      1.406770  
1 1 1 5   11 35 f 46.54942 0.6755330 21.62232       0.6277325 22.61469       0.9228287 20.76772       0.8563856 1.981812       1.351066  
1 1 1 5   11 36 o 50.17038 0.7018440 25.14577       0.7033218 25.98968       1.026734  24.39969       0.9653923 1.582413       1.403688  
1 1 1 5   11 37 o 46.60741 0.6839951 21.41034       0.6317254 24.18191       0.9777970 19.42461       0.8276478 5.097988       1.367990  
1 1 1 5   11 38 o 29.63073 0.6393256 8.754057       0.3779992 9.245952       0.5582441 8.337567       0.5136759 1.531134       1.278651  
1 1 1 5   11 39 o 31.36740 0.6668723 9.703959       0.4140629 7.976465       0.5525758 11.91601       0.6252893 -6.276299      1.333745  
1 1 1 5   11 40 o 81.46452 0.9549893 66.24825       1.552162  63.20886       2.107265  69.85297       2.294894  -4.064873      1.909979  
1 1 1 5   11 41 o 26.67466 0.6948769 7.107034       0.3702125 7.439974       0.5410233 6.813863       0.5076845 1.171675       1.389754  
1 1 1 5   11 42 o 89.76763 1.032680  80.80635       1.853992  80.15343       2.614460  81.46680       2.629485  -0.7300873     2.065360  
1 1 1 5   11 43 o 47.28737 0.7123893 22.35066       0.6729003 23.25216       0.9820710 21.55289       0.9238452 1.792416       1.424779  
1 1 1 5   11 44 f 49.84712 0.7326525 24.60138       0.7249446 27.22811       1.111352  22.65586       0.9564498 4.573620       1.465305  
1 1 1 5   11 45 o 16.15035 1.621271  2.617734       0.5168634 2.719508       0.8046156 2.546233       0.6744112 0.5106096      3.242543  
1 1 1 5   11 46 o 70.18365 0.8803789 49.31924       1.234651  47.42653       1.702710  51.41774       1.792900  -2.832787      1.760758  
1 1 1 5   11 47 o 72.25751 0.9008491 52.29213       1.300672  50.35530       1.793255  54.44212       1.889361  -2.815880      1.801698  
1 1 1 5   11 48 o 8.724679 3.384723  0.5067089      0.8454629 0.5067089      0.8454629 ?              ?         ?              ?         
1 1 1 5   11 49 o 10.43859 1.743047  1.141753       0.3596454 1.374473       0.5236692 0.9339926      0.4947895 2.006229       3.486095  
1 1 1 5   11 50 o 59.91052 1.008807  36.20012       1.192823  35.26971       1.829371  36.88826       1.573261  -1.396133      2.017614  
1 1 1 5   11 51 o 27.04635 0.8422794 7.479915       0.4468286 6.071991       0.6514027 8.731086       0.6140707 -4.921461      1.684559  
1 1 1 5   11 52 o 64.60541 1.065473  42.01127       1.351590  41.97458       2.122768  42.03629       1.752803  -0.1258926     2.130945  
1 1 1 5   11 53 f 53.53143 1.060157  28.80708       1.133955  30.07717       1.647879  27.66473       1.562809  2.233276       2.120313  
1 1 1 5   11 54 o 71.84058 1.254065  52.12306       1.801822  51.92924       2.539004  52.31971       2.557418  -0.2665939     2.508129  
1 1 1 5   11 55 o 21.76106 1.117792  4.804368       0.4835046 4.300116       0.6948594 5.277689       0.6732119 -2.252083      2.235585  
1 1 1 5   11 56 o 29.73919 1.030890  8.913111       0.6128720 8.675314       0.8713641 9.145916       0.8621727 -0.7935257     2.061780  
1 1 1 5   12 0  o 54.91734 0.6941216 29.98134       0.7596908 32.29290       1.134234  28.10067       1.023074  3.816620       1.388243  
1 1 1 5   12 1  o 567.8162 5.899416  3175.447       65.92561  2929.706       84.70560  3552.997       104.9931  -54.52124      11.79883  
1 1 1 5   12 2  o 452.2661 4.701056  2038.824       42.33674  1943.313       56.78435  2158.366       63.52798  -23.67639      9.402111  
1 1 1 5   12 3  o 324.8308 3.382226  1056.224       21.97277  1061.016       31.16546  1051.488       30.98372  1.464508       6.764452  
1 1 1 5   12 4  o 243.6565 2.543813  592.4492       12.36727  572.1646       16.81649  616.3431       18.25143  -9.053543      5.087626  
1 1 1 5   12 5  o 148.6189 1.579852  220.9281       4.695807  220.6233       6.616304  221.2376       6.665721  -0.2063751     3.159705  
1 1 1 5   12 6  f 204.3506 2.141363  417.3459       8.743567  427.5946       12.69772  408.1045       12.05764  4.763687       4.282726  
1 1 1 5   12 7  o 273.1800 2.847448  746.5739       15.55077  759.3052       22.38481  734.6984       21.61938  4.495178       5.694895  
1 1 1 5   12 8  o 177.2698 1.866422  313.4223       6.600221  301.8840       8.958041  327.1244       9.761928  -7.112823      3.732843  
1 1 1 5   12 9  o 178.9772 1.885712  319.8566       6.739006  330.8266       9.873617  310.2896       9.220642  5.731689       3.771425  
1 1 1 5   12 10 o 361.1740 3.754922  1306.026       27.10538  1332.760       39.19903  1281.532       37.52156  7.060944       7.509843  
1 1 1 5   12 11 o 397.2493 4.129258  1579.653       32.76282  1626.516       47.83595  1538.247       44.96449  11.04779       8.258516  
1 1 1 5   12 12 o 212.3949 2.225893  451.4158       9.454309  447.8118       13.25273  455.1509       13.49129  -1.724701      4.451785  
1 1 1 5   12 13 o 317.4439 3.305442  1009.583       20.98471  1004.395       29.49527  1014.900       29.86185  -1.647156      6.610885  
1 1 1 5   12 14 o 309.9433 3.989092  950.3632       22.81605  929.9272       27.27616  997.9802       41.63571  -10.58850      7.978183  
1 1 1 5   12 15 o 145.9646 2.662065  215.4081       7.456649  206.0258       12.29531  220.8664       9.378116  -5.142258      5.324129  
1 1 1 5   12 16 f 48.41483 0.8866647 23.37781       0.8570369 24.54236       1.258654  22.37112       1.170236  2.241703       1.773329  
1 1 1 5   12 17 f 331.7367 4.893779  1105.021       32.43460  1078.883       44.66026  1134.195       47.18249  -8.239471      9.787559  
1 1 1 5   12 18 o 121.0035 1.600679  145.0618       3.608293  150.4406       6.454034  142.6161       4.351973  3.207077       3.201357  
1 1 1 5   12 19 o 37.86093 0.6161568 14.21944       0.4646645 15.83048       0.6947101 12.91523       0.6250636 3.849583       1.232314  
1 1 1 5   12 20 o 68.27785 0.8156236 46.62314       1.113733  46.99757       1.584010  46.25703       1.566253  0.5421677      1.631247  
1 1 1 5   12 21 o 198.1620 2.082824  393.0908       8.253861  389.9850       11.57265  396.3062       11.77544  -1.590958      4.165648  
1 1 1 5   12 22 o 140.7141 1.504189  196.8997       4.211310  209.8275       6.355149  186.7783       5.623181  8.178741       3.008378  
1 1 1 5   12 23 f 104.0257 1.145141  108.2574       2.382478  108.0886       3.365219  108.4270       3.373462  -0.1625443     2.290282  
1 1 1 5   12 24 o 102.1101 1.617723  103.2100       3.275351  112.8653       5.046235  96.18119       4.305537  8.155441       3.235445  
1 1 1 5   12 25 o 109.7345 1.719366  120.4989       3.772246  118.5608       5.254035  122.5609       5.419327  -1.818764      3.438731  
1 1 1 5   12 26 o 137.0721 1.829471  183.7911       4.565788  177.9169       5.390414  198.7064       8.589394  -7.493454      3.658942  
1 1 1 5   12 27 o 101.8409 1.129432  103.1987       2.290515  97.91967       3.071824  109.8093       3.437486  -5.830338      2.258864  
1 1 1 5   12 28 o 109.5623 1.202700  120.0703       2.634228  117.9337       3.659707  122.3675       3.794680  -2.020081      2.405400  
1 1 1 5   12 29 o 133.8020 1.439380  178.9476       3.846237  173.5425       5.270972  185.1033       5.625082  -4.308136      2.878759  
1 1 1 5   12 30 o 75.65479 0.8882378 57.27172       1.343985  57.08451       1.898731  57.45970       1.902639  -0.2478714     1.776476  
1 1 1 5   12 31 o 73.30712 0.8698745 53.72562       1.274611  52.33173       1.765913  55.24156       1.841613  -1.982544      1.739749  
1 1 1 5   12 32 o 71.57062 0.8564249 51.01024       1.221545  54.13921       1.823093  48.46098       1.645566  3.961540       1.712850  
1 1 1 5   12 33 o 43.88634 0.6594176 19.00309       0.5743186 21.50487       0.8815306 17.15808       0.7570298 4.948837       1.318835  
1 1 1 5   12 34 o 56.19237 0.7368975 31.25796       0.8221591 34.38338       1.258410  28.93039       1.085972  4.846256       1.473795  
1 1 1 5   12 35 o 57.04118 0.7443166 32.55916       0.8490867 32.10877       1.194436  33.01926       1.207246  -0.7976189     1.488633  
1 1 1 5   12 36 o 10.21657 1.197157  1.079426       0.2292796 1.567181       0.3360384 0.6545753      0.3136218 4.587034       2.394314  
1 1 1 5   12 37 o 54.06877 0.7291446 29.25022       0.7881763 29.59552       1.133048  28.92646       1.097120  0.6171761      1.458289  
1 1 1 5   12 38 f 21.66437 0.7383057 4.568969       0.3118720 6.302741       0.4829896 3.329150       0.4084332 6.859119       1.476611  
1 1 1 5   12 39 o 57.22872 0.7551188 32.77633       0.8639669 33.21849       1.242018  32.36178       1.202603  0.7463837      1.510238  
1 1 1 5   12 40 o 20.31318 0.7636475 4.135921       0.3093373 4.075226       0.4533425 4.188801       0.4231540 -0.2814445     1.527295  
1 1 1 5   12 41 o 31.01995 0.6671792 9.642801       0.4134839 9.213838       0.5881375 10.06203       0.5814294 -1.367582      1.334358  
1 1 1 5   12 42 o 25.64080 0.7098634 6.593943       0.3633321 6.144430       0.5151046 7.039034       0.5125633 -1.744678      1.419727  
1 1 1 5   12 43 f 105.8509 1.187317  112.5104       2.513093  113.3946       3.594772  111.6652       3.514681  0.8065720      2.374634  
1 1 1 5   12 44 o 81.65968 0.9717590 66.70067       1.584309  63.69058       2.163810  70.17916       2.326082  -3.954132      1.943518  
1 1 1 5   12 45 o 49.33569 1.126062  24.44398       1.109060  24.62299       1.620928  24.28640       1.520756  0.3263664      2.252125  
1 1 1 5   12 46 o 59.13136 1.193554  35.15771       1.410873  33.74798       1.985198  36.59643       2.005509  -2.405262      2.387108  
1 1 1 5   12 47 o 46.20380 0.9310606 21.39370       0.8029164 21.33915       0.9735096 21.50974       1.419895  -0.1249237     1.862121  
1 1 1 5   12 48 o 24.60600 0.7806238 6.020199       0.3825185 6.788545       0.5706758 5.393355       0.5154549 2.828299       1.561248  
1 1 1 5   12 49 o 54.19655 0.7834398 29.45613       0.8487082 29.63428       1.222755  29.29051       1.178952  0.3111382      1.566880  
1 1 1 5   12 50 o 9.332956 1.507210  0.7886216      0.3315044 0.3678811E-01  0.4441033 1.734693       0.4981788 -7.556619      3.014419  
1 1 1 5   12 51 o 55.66087 1.070204  31.08843       1.189511  29.58572       1.627760  32.81055       1.742544  -2.872875      2.140407  
1 1 1 5   12 52 o 28.85878 0.9809913 8.363895       0.5657906 8.694474       0.8193139 8.062536       0.7822683 1.087307       1.961983  
1 1 1 5   12 53 o 63.76260 1.165312  41.00105       1.486055  41.05342       2.098358  40.94835       2.104857  0.8406067E-01  2.330624  
1 1 1 5   12 54 o 29.29378 0.9996760 8.535136       0.5821814 9.776663       0.8803308 7.570109       0.7761354 3.741812       1.999352  
1 1 1 5   12 55 o 30.15450 1.007300  9.147437       0.6071429 9.518790       0.8759894 8.804129       0.8422629 1.176535       2.014600  
1 1 1 5   12 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   13 0  o 270.9690 2.822905  734.7416       15.29593  727.5009       21.40295  742.3004       21.86798  -2.725739      5.645811  
1 1 1 5   13 1  o 217.5906 2.278034  473.3427       9.906649  463.9712       13.70692  483.5919       14.33437  -4.502991      4.556068  
1 1 1 5   13 2  o 243.1303 2.537429  591.5082       12.33763  587.5367       17.32381  595.5959       17.57498  -1.654816      5.074858  
1 1 1 5   13 3  o 350.3636 3.641503  1229.133       25.51092  1214.708       35.61580  1244.332       36.55844  -4.213257      7.283005  
1 1 1 5   13 4  o 100.8499 1.120647  101.7229       2.260339  101.5349       3.197241  101.9108       3.195966  -0.1863861     2.241295  
1 1 1 5   13 5  o 66.94237 0.7977267 44.72450       1.066524  43.17451       1.461715  46.48911       1.559627  -2.475357      1.595453  
1 1 1 5   13 6  o 267.4532 2.794794  716.0588       14.94932  717.7500       21.20727  714.3884       21.07641  0.6266785      5.589587  
1 1 1 5   13 7  o 374.2035 3.889348  1401.060       29.06843  1444.032       42.45605  1363.139       39.88247  10.75851       7.778696  
1 1 1 5   13 8  o 399.2082 4.148923  1597.591       33.12230  1610.148       47.24659  1585.454       46.44765  3.075317       8.297846  
1 1 1 5   13 9  o 190.4365 2.001115  360.5478       7.579896  384.4163       11.46029  341.9867       10.10614  11.12488       4.002231  
1 1 1 5   13 10 o 213.5926 2.236984  455.3509       9.533719  474.1524       14.07038  439.3923       12.96303  8.122086       4.473969  
1 1 1 5   13 11 o 259.3045 2.706360  672.9595       14.02917  662.5609       19.49598  684.1265       20.20341  -4.145844      5.412720  
1 1 1 5   13 12 o 251.9285 2.630467  635.5363       13.25318  632.1582       18.63555  638.9933       18.85197  -1.352463      5.260934  
1 1 1 5   13 13 o 66.65685 0.7929638 44.42552       1.056926  45.02224       1.512860  43.85660       1.477215  0.8741455      1.585928  
1 1 1 5   13 14 o 215.4963 3.202203  463.1476       13.74221  489.6335       20.60556  441.9302       18.44266  11.01227       6.404406  
1 1 1 5   13 15 f 392.2923 4.082183  1544.452       32.02469  1557.295       45.69513  1532.054       44.89497  3.191345       8.164367  
1 1 1 5   13 16 o 98.32849 1.087495  96.18237       2.129589  91.32864       2.857525  102.2459       3.193851  -5.548553      2.174989  
1 1 1 5   13 17 o 400.1138 5.160007  1585.597       37.98492  1547.636       45.28529  1675.697       69.76717  -14.96552      10.32001  
1 1 1 5   13 18 o 162.5189 2.221720  263.2442       7.030446  259.2746       8.938562  269.6833       11.38437  -3.154099      4.443439  
1 1 1 5   13 19 o 89.67555 1.405024  79.79347       2.504074  74.90239       3.323714  86.21405       3.808091  -6.300667      2.810048  
1 1 1 5   13 20 o 241.5511 3.574338  583.3004       17.20994  559.6100       23.23125  612.1151       25.62090  -10.78334      7.148676  
1 1 1 5   13 21 o 75.85876 1.449293  0.000000       0.000000  ?              ?         57.56379       2.198831  ?              ?         
1 1 1 5   13 22 o 96.56070 1.552082  93.10825       2.993212  89.62601       4.102545  97.07169       4.376837  -3.850616      3.104165  
1 1 1 5   13 23 o 66.01869 1.072561  43.99139       1.403327  47.92424       1.920331  39.48410       2.055796  6.394009       2.145122  
1 1 1 5   13 24 o 191.7141 2.020503  367.6894       7.738923  377.6400       11.25985  358.7804       10.65422  4.901154       4.041007  
1 1 1 5   13 25 o 81.58418 0.9421145 66.10904       1.529356  62.14834       2.041224  71.17767       2.309141  -5.529724      1.884229  
1 1 1 5   13 26 f 61.34208 0.7817235 37.33484       0.9539583 34.82967       1.271628  40.55943       1.442711  -4.667969      1.563447  
1 1 1 5   13 27 o 61.21989 0.7750978 37.39912       0.9474928 35.92616       1.295711  39.09198       1.389069  -2.584080      1.550196  
1 1 1 5   13 28 o 121.1681 1.316528  146.6507       3.184623  141.6986       4.348545  152.3788       4.676826  -4.396790      2.633057  
1 1 1 5   13 29 o 87.04230 0.9940091 75.82320       1.730400  75.99196       2.453554  75.65619       2.440807  0.1925125      1.988018  
1 1 1 5   13 30 o 71.56520 0.8562157 50.73766       1.217361  47.03946       1.612244  55.64260       1.856748  -6.003815      1.712431  
1 1 1 5   13 31 o 62.77106 0.7834672 39.30270       0.9812967 41.17190       1.448814  37.71841       1.333832  2.747677       1.566934  
1 1 1 5   13 32 o 44.89999 0.6687956 19.75707       0.5935975 23.00045       0.9299885 17.52724       0.7711058 6.090351       1.337591  
1 1 1 5   13 33 f 101.0583 1.126423  102.1906       2.274729  104.7063       3.300072  99.91325       3.139812  2.363182       2.252847  
1 1 1 5   13 34 o 27.43328 0.6485497 7.442969       0.3537671 8.493885       0.5346895 6.624741       0.4717967 3.404676       1.297099  
1 1 1 5   13 35 o 23.06813 0.6793622 5.328207       0.3130271 5.259870       0.4527441 5.390793       0.4332718 -0.2844887     1.358724  
1 1 1 5   13 36 o 32.38888 0.6426502 10.44739       0.4148814 9.323995       0.5671533 11.74050       0.6084868 -3.728914      1.285300  
1 1 1 5   13 37 f 34.90545 0.6440120 12.16683       0.4488786 12.65270       0.6576658 11.74309       0.6141830 1.301052       1.288024  
1 1 1 5   13 38 o 26.71513 0.6716281 7.147972       0.3578635 6.476975       0.5018142 7.842366       0.5104880 -2.555056      1.343256  
1 1 1 5   13 39 o 21.69624 0.7349013 4.671659       0.3169920 5.455139       0.4714488 4.025188       0.4282475 3.292830       1.469803  
1 1 1 5   13 40 o 38.39629 0.6791656 14.74676       0.5213173 15.24254       0.7505882 14.28471       0.7246061 1.245731       1.358331  
1 1 1 5   13 41 o 15.46982 0.9009665 2.401514       0.2778735 2.361463       0.4076828 2.436265       0.3797477 -0.2443151     1.801933  
1 1 1 5   13 42 o 27.15934 0.6939300 7.397744       0.3761018 6.830705       0.5318305 7.965030       0.5319460 -2.088270      1.387860  
1 1 1 5   13 43 o 9.764360 1.391104  0.9895601      0.2654103 0.8721067      0.3924436 1.088564       0.3603059 -1.286600      2.782207  
1 1 1 5   13 44 f 14.19494 1.978223  2.279050       0.5499834 0.9412710      0.8110009 3.418149       0.7483584 -8.448885      3.956447  
1 1 1 5   13 45 o 61.88370 1.031251  38.38937       1.193281  38.27484       1.449060  38.63066       2.103305  -0.1972542     2.062503  
1 1 1 5   13 46 o 14.05371 1.108497  2.040082       0.3023109 1.536941       0.4401231 2.489502       0.4159635 -3.392768      2.216994  
1 1 1 5   13 47 o 55.99972 0.7857208 31.42408       0.8793598 31.89961       1.271921  30.98866       1.217095  0.8068466      1.571442  
1 1 1 5   13 48 o 24.33241 0.7956815 5.959996       0.3858320 5.519347       0.5544223 6.373816       0.5372792 -1.758173      1.591363  
1 1 1 5   13 49 o 31.26799 0.7426139 9.816998       0.4635628 9.542272       0.6702998 10.06885       0.6417833 -0.8457718     1.485228  
1 1 1 5   13 50 o 42.60834 0.8558075 17.79188       0.6986085 19.71331       1.196456  16.79791       0.8605385 3.366978       1.711615  
1 1 1 5   13 51 o 28.87187 0.9668015 8.377453       0.5579346 7.982479       0.7818546 8.787286       0.7964246 -1.390932      1.933603  
1 1 1 5   13 52 o 68.98270 1.211629  48.02607       1.671571  48.18341       2.375448  47.87173       2.352633  0.2197418      2.423258  
1 1 1 5   13 53 o 18.42862 1.218385  3.404167       0.4471188 3.692186       0.6716533 3.174952       0.5991780 1.383204       2.436770  
1 1 1 5   13 54 o 29.26239 1.001004  8.621826       0.5857533 8.817219       0.8353844 8.432851       0.8215492 0.6532764      2.002007  
1 1 1 5   13 55 o 15.50645 3.925060  0.000000       0.000000  ?              ?         2.628557       1.218990  ?              ?         
1 1 1 5   14 0  o 158.9785 1.682604  252.8205       5.349554  254.5981       7.621808  251.0945       7.510248  1.100983       3.365208  
1 1 1 5   14 1  o 211.1817 2.212278  445.4577       9.328931  460.3493       13.66284  432.4514       12.76870  6.595123       4.424556  
1 1 1 5   14 2  o 202.7499 2.126441  410.4606       8.606865  425.3095       12.63885  397.6197       11.75324  6.818802       4.252883  
1 1 1 5   14 3  o 163.2346 1.728444  266.1289       5.634909  274.5979       8.234744  258.6714       7.727364  4.873718       3.456888  
1 1 1 5   14 4  o 138.3075 1.479112  190.0844       4.068891  203.0058       6.153879  180.0477       5.423616  8.293732       2.958224  
1 1 1 5   14 5  o 248.7339 2.596654  618.9184       12.90974  631.3483       18.64847  607.4798       17.88943  4.786804       5.193307  
1 1 1 5   14 6  f 170.3323 1.798211  289.9832       6.120404  283.4783       8.444633  297.1810       8.883121  -4.017654      3.596422  
1 1 1 5   14 7  o 62.56171 0.7593865 39.11853       0.9497474 38.34034       1.319392  39.95539       1.368230  -1.290527      1.518773  
1 1 1 5   14 8  f 222.3418 2.327132  494.3713       10.33950  483.5805       14.27310  506.2868       14.99839  -5.094818      4.654263  
1 1 1 5   14 9  o 242.9170 2.538594  590.8321       12.33281  594.0677       17.53993  587.6685       17.34418  1.313599       5.077188  
1 1 1 5   14 10 o 392.5474 4.086363  1545.549       32.06421  1517.959       44.47189  1575.419       46.27301  -7.262024      8.172727  
1 1 1 5   14 11 o 62.98335 0.7647824 39.08276       0.9535990 35.76424       1.245314  43.78720       1.482727  -6.367645      1.529565  
1 1 1 5   14 12 o 89.53822 1.438248  79.89350       2.568335  84.27776       3.809462  76.23997       3.477539  4.484650       2.876495  
1 1 1 5   14 13 o 389.8977 4.057909  1525.669       31.64248  1532.264       44.95429  1519.193       44.54692  1.663330       8.115818  
1 1 1 5   14 14 o 167.7814 1.774454  281.6928       5.954191  282.9509       8.463614  280.4601       8.378034  0.7410736      3.548909  
1 1 1 5   14 15 o 82.92844 0.9461043 68.42974       1.563302  72.77404       2.336784  64.91023       2.103291  4.739464       1.892209  
1 1 1 5   14 16 o 416.1064 4.332841  1739.638       36.05820  1736.311       50.88078  1742.994       51.10798  -0.7942200     8.665682  
1 1 1 5   14 17 o 150.4660 1.600896  224.8402       4.787490  212.2467       6.358481  241.3244       7.274707  -9.648956      3.201793  
1 1 1 5   14 18 o 277.5853 3.555021  773.6559       18.61790  771.9865       32.18172  774.4955       22.82542  -0.7739563     7.110042  
1 1 1 5   14 19 o 109.9001 1.720494  120.5366       3.772891  125.8187       5.568455  116.0538       5.129840  4.434677       3.440988  
1 1 1 5   14 20 o 137.8523 2.104010  190.1744       5.797943  186.6379       8.047229  193.9918       8.360818  -2.659958      4.208020  
1 1 1 5   14 21 o 14.20390 1.027451  2.086077       0.2821389 2.426054       0.3759777 1.647859       0.4268571 2.739979       2.054902  
1 1 1 5   14 22 o 31.57611 0.8178030 9.791286       0.5117232 8.511092       0.6725992 11.55077       0.7885168 -4.811989      1.635606  
1 1 1 5   14 23 o 34.50198 0.8070406 11.89534       0.5565881 12.27732       0.8033975 11.54280       0.7718205 1.064075       1.614081  
1 1 1 5   14 24 o 102.9643 1.597103  106.0410       3.286766  108.8673       4.753558  103.4522       4.549530  2.624207       3.194205  
1 1 1 5   14 25 o 138.0299 1.816524  189.2915       4.680490  195.2255       8.327984  186.5518       5.658754  3.050507       3.633049  
1 1 1 5   14 26 o 77.79674 0.9153765 60.53690       1.423975  59.68316       1.989414  61.43385       2.039115  -1.124153      1.830753  
1 1 1 5   14 27 o 28.43400 0.6524497 8.082445       0.3709162 8.290963       0.5327753 7.886320       0.5167032 0.7112865      1.304899  
1 1 1 5   14 28 o 83.81908 0.9659037 70.21207       1.617493  72.37661       2.354245  68.27676       2.226093  2.441971       1.931807  
1 1 1 5   14 29 o 65.57843 0.8100817 43.00296       1.062038  42.05482       1.476182  44.02030       1.529113  -1.497139      1.620163  
1 1 1 5   14 30 o 44.47004 0.6753449 19.76281       0.6002865 19.13728       0.8314759 20.44377       0.8675388 -1.468075      1.350690  
1 1 1 5   14 31 o 73.84450 0.8794364 53.99545       1.288712  59.17777       1.977875  50.17232       1.698816  6.086891       1.758873  
1 1 1 5   14 32 o 109.1681 1.204453  119.3898       2.629465  120.1966       3.751512  118.6107       3.686587  0.7227325      2.408906  
1 1 1 5   14 33 o 38.66619 0.8349451 14.95303       0.6454082 15.43592       0.9289937 14.50250       0.8973203 1.205700       1.669890  
1 1 1 5   14 34 o 61.59536 0.7844033 37.64449       0.9603399 40.88535       1.460061  35.17335       1.274936  4.628857       1.568807  
1 1 1 5   14 35 o 44.97562 0.6852099 19.99113       0.6124886 17.77731       0.8146128 22.87027       0.9289935 -5.657341      1.370420  
1 1 1 5   14 36 f 5.228124 1.440528  0.1666455      0.2165574 0.1439871      0.3237302 0.1849968      0.2913408 0.1139212E-01  2.881055  
1 1 1 5   14 37 o 33.72159 0.6528274 11.38744       0.4400350 11.10990       0.6277605 11.65553       0.6169865 -0.8095131     1.305655  
1 1 1 5   14 38 o 40.70018 0.6740668 16.53194       0.5477876 15.35480       0.7528024 17.85668       0.7986020 -3.071068      1.348134  
1 1 1 5   14 39 o 33.92713 0.6682053 11.49810       0.4527778 11.99141       0.6619759 11.06443       0.6206675 1.363705       1.336411  
1 1 1 5   14 40 o 36.86214 0.6734538 13.59969       0.4963478 13.83797       0.7127323 13.37531       0.6916267 0.6261253      1.346908  
1 1 1 5   14 41 o 48.29120 0.7205202 23.25135       0.6936159 24.61632       1.032883  22.13023       0.9360870 2.566673       1.441040  
1 1 1 5   14 42 o 26.53499 1.217464  7.079552       0.6401283 7.042726       0.9722962 7.107727       0.8504466 -0.1395969     2.434929  
1 1 1 5   14 43 o 31.81773 1.005361  10.46475       0.6207145 12.19202       0.8333032 8.311804       0.9303362 6.109608       2.010722  
1 1 1 5   14 44 o 47.15053 0.7261959 22.27909       0.6846241 22.16315       0.9782645 22.39038       0.9584491 -0.2429085     1.452392  
1 1 1 5   14 45 o 49.11903 0.7401159 24.06741       0.7245380 25.48336       1.080667  22.91121       0.9765308 2.607285       1.480232  
1 1 1 5   14 46 o 64.82494 0.8457429 42.14518       1.096234  42.30661       1.569177  41.99129       1.532105  0.2385635      1.691486  
1 1 1 5   14 47 f 39.86301 0.7230018 15.77428       0.5732166 17.44695       0.8683767 14.48262       0.7630916 3.705280       1.446004  
1 1 1 5   14 48 o 48.81625 0.7618739 23.87252       0.7431173 24.47786       1.079671  23.32760       1.024362  1.170727       1.523748  
1 1 1 5   14 49 o 68.40230 1.055880  45.52101       1.334009  51.06776       2.465302  43.22446       1.586314  5.563591       2.111761  
1 1 1 5   14 50 o 23.70122 0.9872244 5.636273       0.4673736 6.041122       0.6775206 5.268710       0.6455685 1.623196       1.974449  
1 1 1 5   14 51 o 45.41827 0.9838011 20.73291       0.8931649 19.86139       1.242423  21.66504       1.284900  -1.976326      1.967602  
1 1 1 5   14 52 o 35.66387 0.9541873 12.67408       0.6773960 14.37206       1.013716  11.30417       0.9105345 4.279167       1.908375  
1 1 1 5   14 53 o 45.03651 1.000258  20.39378       0.9003173 19.55245       1.246135  21.31252       1.302196  -1.940361      2.000515  
1 1 1 5   14 54 o 61.94772 1.146546  38.70292       1.420088  39.55274       2.039252  37.90279       1.978731  1.314793       2.293092  
1 1 1 5   15 0  o 150.7296 2.064782  228.4794       6.160064  219.0489       9.302208  235.8450       8.220941  -5.585846      4.129564  
1 1 1 5   15 1  o 190.5999 2.005370  363.0980       7.636279  354.3165       10.51227  372.9088       11.11126  -4.869446      4.010741  
1 1 1 5   15 2  o 119.4120 1.291282  142.5069       3.081544  139.4929       4.259456  145.8169       4.463635  -2.646210      2.582564  
1 1 1 5   15 3  o 204.1717 2.141916  417.2014       8.745783  419.9243       12.45539  414.5532       12.28321  1.312775       4.283833  
1 1 1 5   15 4  o 188.5662 1.983300  355.7075       7.476965  350.6635       10.40822  361.0862       10.74802  -2.758835      3.966600  
1 1 1 5   15 5  o 119.8945 1.294097  143.7176       3.101717  146.3474       4.467498  141.2702       4.309737  2.115837       2.588194  
1 1 1 5   15 6  o 181.6100 1.912755  330.0611       6.947053  327.9559       9.757870  332.2249       9.892753  -1.173325      3.825511  
1 1 1 5   15 7  o 107.4009 1.173287  115.0886       2.515226  119.8979       3.700685  110.9597       3.428969  4.158585       2.346574  
1 1 1 5   15 8  o 166.3967 1.763203  276.8618       5.864588  270.9777       8.131392  283.2404       8.466300  -3.680023      3.526406  
1 1 1 5   15 9  o 334.1806 4.938465  1122.549       32.99835  1108.754       46.04805  1137.110       47.31101  -4.193024      9.876929  
1 1 1 5   15 10 o 316.5525 4.679363  1006.312       29.61092  989.4424       41.11685  1024.487       42.67915  -5.478455      9.358727  
1 1 1 5   15 11 o 76.23283 0.8851106 57.77978       1.343644  54.64075       1.801417  61.71606       2.017247  -4.639084      1.770221  
1 1 1 5   15 12 o 322.1664 3.356049  1040.537       21.62225  1033.261       30.34115  1048.046       30.82147  -2.281281      6.712098  
1 1 1 5   15 13 o 63.67387 0.7812886 40.54423       0.9948354 40.21320       1.394152  40.88766       1.420025  -0.5294418     1.562577  
1 1 1 5   15 14 o 268.0335 2.798840  719.5452       14.99797  709.0348       20.86976  730.7710       21.56815  -4.037048      5.597680  
1 1 1 5   15 15 o 185.7515 2.543049  343.6140       9.174315  353.9656       14.97457  337.3937       11.60796  4.380829       5.086098  
1 1 1 5   15 16 o 71.37486 1.233457  50.96302       1.760705  51.49552       2.499204  50.43827       2.480923  0.7404099      2.466914  
1 1 1 5   15 17 o 34.08989 1.030617  11.63815       0.7017509 12.25186       0.9884181 11.01439       0.9964824 1.815094       2.061234  
1 1 1 5   15 18 o 228.1967 2.391329  521.6046       10.91270  526.1230       15.57017  517.2421       15.29919  1.938675       4.782658  
1 1 1 5   15 19 o 84.45145 0.9658058 71.05393       1.626455  67.80387       2.199993  74.97151       2.415373  -4.241196      1.931612  
1 1 1 5   15 20 o 202.1918 2.126173  409.4011       8.596238  405.0097       12.01637  414.0041       12.30251  -2.216324      4.252347  
1 1 1 5   15 21 o 138.2918 1.483712  190.6280       4.089689  200.6567       6.093485  182.4076       5.516806  6.585312       2.967423  
1 1 1 5   15 22 o 51.87513 0.7204238 26.90724       0.7471882 26.57702       1.040791  27.25844       1.073328  -0.6564140     1.440848  
1 1 1 5   15 23 f 31.59092 0.6541216 9.819421       0.4094217 11.89848       0.6224173 8.233705       0.5435773 5.799440       1.308243  
1 1 1 5   15 24 o 181.9760 2.353019  332.4438       8.090933  332.8482       9.935121  331.6476       13.94180  0.5262299      4.706039  
1 1 1 5   15 25 o 60.65411 1.048153  36.77132       1.270551  35.69046       1.755899  37.95918       1.840765  -1.868118      2.096305  
1 1 1 5   15 26 o 59.81984 1.036752  35.81120       1.240321  35.51803       1.745013  36.11054       1.763287  -0.4947357     2.073503  
1 1 1 5   15 27 o 91.80762 1.443744  84.44280       2.650917  84.23267       3.740693  84.65482       3.757288  -0.2291641     2.887489  
1 1 1 5   15 28 o 53.96936 0.8571129 29.53995       0.9046252 27.08205       1.403105  31.28846       1.183430  -3.903366      1.714226  
1 1 1 5   15 29 o 96.70219 1.086432  93.51569       2.099256  91.03653       2.894178  96.26809       3.049501  -2.698456      2.172863  
1 1 1 5   15 30 o 85.51370 0.9864837 72.61289       1.676983  78.55688       2.546734  68.06253       2.228269  6.122063       1.972967  
1 1 1 5   15 31 o 44.06380 0.7155334 19.42625       0.6268545 19.40062       0.8417127 19.45816       0.9393076 -0.6201935E-01 1.431067  
1 1 1 5   15 32 o 58.40965 1.028788  33.73700       1.192216  37.58595       1.833146  30.91560       1.569489  5.696045       2.057577  
1 1 1 5   15 33 o 51.93731 0.7191213 26.88204       0.7453535 25.19104       1.014654  28.86411       1.098511  -3.532776      1.438243  
1 1 1 5   15 34 o 66.68375 0.8271814 43.96928       1.093537  48.59450       1.687490  40.62084       1.435807  5.966358       1.654363  
1 1 1 5   15 35 o 57.41694 0.7580960 32.56004       0.8627735 36.29972       1.333225  29.86552       1.131688  5.592468       1.516192  
1 1 1 5   15 36 o 52.73344 0.7291840 27.81266       0.7685098 28.47632       1.112223  27.20631       1.063113  1.201649       1.458368  
1 1 1 5   15 37 o 92.51738 1.057502  84.99607       1.941963  92.26812       2.974541  79.59401       2.563725  6.814445       2.115004  
1 1 1 5   15 38 f 54.99632 0.7509181 30.27771       0.8257955 29.51089       1.156287  31.07599       1.179770  -1.421356      1.501836  
1 1 1 5   15 39 o 92.14810 1.057115  85.01725       1.945075  87.95116       2.849513  82.45754       2.661594  2.960930       2.114230  
1 1 1 5   15 40 o 14.92976 1.862998  2.356485       0.5291011 1.924358       0.8018441 2.689739       0.7041607 -2.827978      3.725997  
1 1 1 5   15 41 o 51.43920 1.006168  26.70257       1.018619  27.48361       1.338160  25.62648       1.570714  1.831955       2.012336  
1 1 1 5   15 42 o 41.18713 0.6987647 16.83381       0.5726797 18.65305       0.8644524 15.41093       0.7645084 3.927040       1.397529  
1 1 1 5   15 43 o 31.78521 0.7025083 10.11410       0.4452325 9.072082       0.6192318 11.22934       0.6406206 -3.391472      1.405017  
1 1 1 5   15 44 o 27.81378 1.275896  7.654269       0.7035411 8.894962       1.084162  6.751753       0.9246760 3.823999       2.551792  
1 1 1 5   15 45 o 41.51582 0.7199349 17.27349       0.5977301 17.02207       0.8448840 17.52541       0.8457527 -0.6061096     1.439870  
1 1 1 5   15 46 o 40.16073 0.7225716 16.10173       0.5789697 17.12432       0.8560939 15.23981       0.7859671 2.337811       1.445143  
1 1 1 5   15 47 o 37.53785 0.7296739 14.12274       0.5471467 14.23832       0.7949869 14.01872       0.7541886 0.2872581      1.459348  
1 1 1 5   15 48 f 67.37106 1.045083  44.64391       1.317614  48.46080       2.359589  42.91445       1.588318  3.971245       2.090165  
1 1 1 5   15 49 o 45.56107 0.9685512 20.84772       0.8820902 20.27631       1.223179  21.46687       1.273255  -1.296936      1.937102  
1 1 1 5   15 50 o 50.86899 1.020383  26.00694       1.037422  27.03063       1.500480  25.06946       1.435921  1.913464       2.040767  
1 1 1 5   15 51 o 19.66694 1.120347  3.893969       0.4402489 3.989482       0.6395832 3.807964       0.6069128 0.4534016      2.240694  
1 1 1 5   15 52 o 27.63813 0.9899309 7.689517       0.5471013 7.514597       0.7728755 7.865202       0.7745633 -0.6338825     1.979862  
1 1 1 5   15 53 o 65.16670 1.676840  0.000000       0.000000  ?              ?         42.88507       2.185483  ?              ?         
1 1 1 5   15 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   16 0  o 217.5896 2.282032  473.9997       9.930589  472.2206       13.97615  475.8136       14.11279  -0.8231201     4.564065  
1 1 1 5   16 1  o 66.48367 0.7978800 44.13513       1.059793  45.72986       1.542828  42.71038       1.458290  2.270302       1.595760  
1 1 1 5   16 2  o 66.93800 0.8079608 44.80134       1.081434  44.25203       1.510634  45.37878       1.548839  -0.8413849     1.615922  
1 1 1 5   16 3  o 213.8886 2.241602  457.4622       9.579400  469.4870       13.92649  446.6632       13.19752  5.322357       4.483205  
1 1 1 5   16 4  o 342.6631 3.567189  1177.499       24.44637  1173.578       34.44136  1181.481       34.70493  -1.145660      7.134377  
1 1 1 5   16 5  o 207.8733 2.183468  432.5678       9.077666  432.9415       12.85553  432.1963       12.82006  0.1786346      4.366936  
1 1 1 5   16 6  o 143.0077 1.525947  204.2856       4.358557  198.6281       5.980546  210.6945       6.365291  -4.214249      3.051895  
1 1 1 5   16 7  o 152.8005 1.625266  233.5734       4.965938  231.4452       6.945525  235.7991       7.102915  -1.422684      3.250532  
1 1 1 5   16 8  o 117.1062 1.270772  136.2494       2.959851  128.8271       3.944423  145.8148       4.477860  -7.247620      2.541544  
1 1 1 5   16 9  o 56.61827 0.7349269 31.88515       0.8291657 30.11513       1.115952  34.06666       1.238895  -3.488857      1.469854  
1 1 1 5   16 10 o 129.4322 1.391370  166.9577       3.590291  159.9723       4.850582  175.4220       5.339422  -5.962234      2.782740  
1 1 1 5   16 11 o 142.8997 1.880650  203.4003       5.020788  207.1511       8.893564  201.6456       6.082820  1.879105       3.761300  
1 1 1 5   16 12 o 258.4765 3.831268  670.5901       19.80325  676.4814       28.28070  664.9222       27.73919  2.216675       7.662536  
1 1 1 5   16 13 o 215.4058 3.207738  464.1756       13.79006  448.8767       18.78598  482.0518       20.30686  -7.652939      6.415476  
1 1 1 5   16 14 o 122.9422 1.727687  151.3907       4.164714  151.8467       5.387236  150.7135       6.565637  0.4818039      3.455375  
1 1 1 5   16 15 o 156.2866 1.662444  244.3257       5.194032  248.7813       7.481192  240.1794       7.216878  2.747192       3.324887  
1 1 1 5   16 16 o 226.0762 2.369452  511.9758       10.71274  508.5251       15.04115  515.5282       15.26147  -1.542908      4.738904  
1 1 1 5   16 17 f 180.9160 1.909821  327.3202       6.903320  335.9477       10.03718  319.5756       9.509705  4.512711       3.819642  
1 1 1 5   16 18 o 299.9239 3.131735  902.5103       18.77984  890.6678       26.17306  915.0776       26.96192  -4.036804      6.263470  
1 1 1 5   16 19 o 326.0063 3.404529  1067.946       22.19715  1072.867       31.55263  1063.124       31.23284  1.478058       6.809058  
1 1 1 5   16 20 o 82.77901 0.9572496 68.45843       1.583251  70.58717       2.301777  66.54688       2.181195  2.438553       1.914499  
1 1 1 5   16 21 o 76.93359 0.9030907 59.09988       1.387738  57.14287       1.904129  61.31700       2.026719  -2.710884      1.806181  
1 1 1 5   16 22 o 123.2738 1.336719  152.0895       3.295089  153.7602       4.712528  150.4913       4.609112  1.323051       2.673439  
1 1 1 5   16 23 o 108.5321 1.195048  117.6884       2.590419  114.1038       3.552156  121.7601       3.785807  -3.520851      2.390096  
1 1 1 5   16 24 o 90.81966 1.031982  82.11277       1.867227  77.91679       2.510396  87.30872       2.793559  -5.163139      2.063964  
1 1 1 5   16 25 o 184.8128 1.955902  342.4169       7.225165  335.9433       10.01187  349.4524       10.43725  -3.629883      3.911803  
1 1 1 5   16 26 o 49.20998 0.6968075 24.21904       0.6856608 24.63468       0.9817542 23.82326       0.9580227 0.8238945      1.393615  
1 1 1 5   16 27 o 136.2878 1.469882  186.1413       4.006454  185.4564       5.644052  186.8370       5.688167  -0.5042114     2.939763  
1 1 1 5   16 28 o 111.4754 1.496057  124.0019       3.136810  122.8590       3.824173  126.3524       5.484002  -1.463760      2.992114  
1 1 1 5   16 29 o 88.38858 1.402059  78.32203       2.478518  78.42699       3.508003  78.21742       3.502312  0.1181870      2.804119  
1 1 1 5   16 30 o 74.41487 1.219645  55.48667       1.815146  55.26642       2.555863  55.71080       2.578293  -0.2972641     2.439290  
1 1 1 5   16 31 o 41.30126 0.8631141 16.80186       0.7067926 19.30650       1.089888  14.98405       0.9285062 5.225502       1.726228  
1 1 1 5   16 32 o 79.90675 1.126948  64.06017       1.712494  63.71015       2.910203  64.24557       2.118014  -0.3837357     2.253896  
1 1 1 5   16 33 o 80.90805 0.9501985 64.66313       1.521719  71.70839       2.366365  59.69543       1.987060  7.401642       1.900397  
1 1 1 5   16 34 o 24.14939 0.6959196 5.841522       0.3352169 5.301522       0.4702753 6.399302       0.4779546 -2.272522      1.391839  
1 1 1 5   16 35 o 94.71281 1.076310  89.30664       2.027754  95.57378       3.065728  84.43251       2.703637  5.853577       2.152619  
1 1 1 5   16 36 o 61.44047 0.7977578 37.08029       0.9677033 42.32003       1.524608  33.54511       1.252301  7.123161       1.595516  
1 1 1 5   16 37 o 57.79433 0.7736713 33.44070       0.8938684 33.81701       1.286591  33.08957       1.242788  0.6263161      1.547343  
1 1 1 5   16 38 o 85.96750 1.462871  74.34763       2.514322  74.73935       3.607527  73.97761       3.506213  0.4280090      2.925742  
1 1 1 5   16 39 o 23.04105 1.101030  5.832345       0.4387528 6.496246       0.5239346 4.273829       0.8027509 4.852896       2.202061  
1 1 1 5   16 40 o 45.91648 0.7154800 21.11141       0.6564825 21.28533       0.9500061 20.95245       0.9082163 0.3590317      1.430960  
1 1 1 5   16 41 o 52.88490 0.7549889 28.02262       0.7981707 28.10069       1.147343  27.94941       1.111097  0.1395798      1.509978  
1 1 1 5   16 42 o 19.63444 0.8399053 3.926794       0.3231212 3.055306       0.4607403 4.770272       0.4532759 -4.368069      1.679811  
1 1 1 5   16 43 o 5.556208 1.537538  0.1637856      0.2568064 -0.1889819E-01 0.3827266 0.3133931      0.3463502 -1.111271      3.075077  
1 1 1 5   16 44 f 61.50745 0.8212634 37.93988       1.010202  37.72367       1.434817  38.15241       1.422546  -0.3500023     1.642527  
1 1 1 5   16 45 o 42.83949 0.7258259 18.39821       0.6217673 18.33850       0.8870167 18.45589       0.8718044 -0.1388245     1.451652  
1 1 1 5   16 46 o 45.38590 0.7427786 20.64806       0.6738368 19.67604       0.9438379 21.65854       0.9623294 -2.181625      1.485557  
1 1 1 5   16 47 o 26.84268 0.8300157 7.004941       0.4335967 8.196866       0.7195510 6.325362       0.5433213 3.459648       1.660031  
1 1 1 5   16 48 o 23.57428 1.005180  5.584284       0.4726610 5.043374       0.6577324 6.161922       0.6796956 -2.368050      2.010360  
1 1 1 5   16 49 o 66.31611 1.174701  44.29206       1.556863  43.16571       2.151618  45.52982       2.255528  -1.756744      2.349401  
1 1 1 5   16 50 o 60.19587 1.113789  36.42492       1.338884  34.91746       1.832817  38.14984       1.960566  -2.653522      2.227579  
1 1 1 5   16 51 o 47.43919 1.004706  22.62089       0.9525183 21.73110       1.316649  23.59792       1.379690  -1.952789      2.009412  
1 1 1 5   16 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   16 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   17 0  o 117.2525 1.272695  137.4952       2.983827  139.1542       4.275681  135.9202       4.165995  1.377960       2.545390  
1 1 1 5   17 1  o 166.9817 1.767220  278.4425       5.891401  288.4424       8.645640  269.7737       8.049648  5.581436       3.534440  
1 1 1 5   17 2  f 273.1937 2.851407  747.7687       15.57969  746.8943       22.00259  748.6481       22.06354  -0.3195496     5.702814  
1 1 1 5   17 3  o 38.63248 0.6267669 14.87697       0.4832468 14.20416       0.6577832 15.66592       0.7122957 -1.891590      1.253534  
1 1 1 5   17 4  o 177.1854 1.872083  314.2157       6.634116  314.1718       9.382174  314.2596       9.381940  -0.2478027E-01 3.744166  
1 1 1 5   17 5  o 176.1887 1.860826  310.4128       6.552057  303.9983       9.055478  317.4605       9.491939  -3.813232      3.721651  
1 1 1 5   17 6  o 256.4995 2.680044  659.0825       13.74793  655.5198       19.32914  662.7299       19.55790  -1.399979      5.360088  
1 1 1 5   17 7  o 123.9584 1.338852  153.0800       3.307976  161.2809       4.928423  146.3563       4.462562  6.014305       2.677705  
1 1 1 5   17 8  o 174.9691 2.271316  306.8635       7.494421  305.6369       12.96298  307.4793       9.185047  -0.6051941     4.542632  
1 1 1 5   17 9  o 72.94712 1.245756  53.22727       1.817349  53.96403       2.588841  52.51145       2.551798  0.9951935      2.491512  
1 1 1 5   17 10 o 110.9093 1.731360  122.8511       3.834222  118.7907       5.244666  127.5126       5.619542  -3.925529      3.462720  
1 1 1 5   17 11 o 77.45136 1.127995  58.51744       1.585083  56.57616       1.866189  63.54486       3.003196  -4.485565      2.255990  
1 1 1 5   17 12 o 88.97734 1.006390  78.92850       1.786310  75.71206       2.423481  82.75476       2.643250  -3.955193      2.012780  
1 1 1 5   17 13 o 238.0000 2.492272  567.3501       11.85951  559.7651       16.52666  575.4026       17.02834  -3.271164      4.984544  
1 1 1 5   17 14 o 275.4854 2.878010  760.9659       15.85615  756.8437       22.28768  765.1906       22.56283  -1.505615      5.756019  
1 1 1 5   17 15 o 122.2768 1.324310  149.6086       3.238631  149.3248       4.571389  149.8946       4.588894  -0.2327118     2.648619  
1 1 1 5   17 16 o 123.9815 1.343719  153.6367       3.328768  157.9226       4.836289  149.7785       4.588646  3.279732       2.687438  
1 1 1 5   17 17 o 78.72723 0.9182132 61.86413       1.443366  59.73835       1.973531  64.30885       2.116404  -2.900711      1.836426  
1 1 1 5   17 18 o 199.3690 2.100010  397.6706       8.362512  409.7010       12.20701  387.0317       11.47927  5.660431       4.200021  
1 1 1 5   17 19 o 74.39243 0.8828057 54.92714       1.306012  51.51308       1.738150  59.35378       1.979198  -5.266045      1.765611  
1 1 1 5   17 20 o 65.05711 0.8057806 42.30161       1.047812  43.42989       1.514072  41.26457       1.451564  1.663132       1.611561  
1 1 1 5   17 21 o 110.9494 1.219703  122.8801       2.700783  118.3618       3.677997  128.1673       3.978665  -4.410545      2.439405  
1 1 1 5   17 22 o 161.3893 1.717561  261.0123       5.543882  260.4231       7.822995  261.6067       7.857584  -0.3652039     3.435122  
1 1 1 5   17 23 o 65.75465 0.8144921 42.69044       1.061888  39.15494       1.394453  47.57069       1.638325  -6.393555      1.628984  
1 1 1 5   17 24 o 64.99521 0.8068026 42.18776       1.047425  43.83374       1.529219  40.73312       1.437588  2.382847       1.613605  
1 1 1 5   17 25 o 99.59660 1.113286  98.98397       2.212051  94.91012       3.002637  103.8192       3.271217  -4.462288      2.226572  
1 1 1 5   17 26 o 103.8484 1.154998  107.4303       2.388808  114.0537       3.581583  102.1230       3.206090  5.727158       2.309996  
1 1 1 5   17 27 o 131.7735 1.426796  173.9234       3.757456  170.0903       5.194116  178.1314       5.442256  -3.035339      2.853591  
1 1 1 5   17 28 o 104.5743 1.164898  109.5507       2.436317  109.9935       3.459115  109.1150       3.431991  0.4185638      2.329796  
1 1 1 5   17 29 o 66.92616 1.127829  44.86389       1.509420  44.37510       2.113545  45.37270       2.156385  -0.7428513     2.255659  
1 1 1 5   17 30 o 108.3424 1.202766  116.9482       2.594204  124.5925       3.900951  110.8869       3.473634  6.297424       2.405531  
1 1 1 5   17 31 o 54.46568 0.8067849 29.54104       0.8673407 28.77436       1.131614  30.63283       1.350392  -1.696041      1.613570  
1 1 1 5   17 32 o 107.6791 1.672161  116.4066       3.597693  119.6128       5.227389  113.5211       4.959024  2.799316       3.344323  
1 1 1 5   17 33 o 60.37553 1.056730  36.45971       1.274252  37.87978       1.862608  35.21034       1.747064  2.202126       2.113460  
1 1 1 5   17 34 o 10.56834 1.422213  1.125794       0.2925308 1.471480       0.4400357 0.8520329      0.3915911 3.081916       2.844427  
1 1 1 5   17 35 o 52.86845 1.142225  26.65598       0.9445098 30.29369       2.242204  25.87124       1.041415  4.072338       2.284450  
1 1 1 5   17 36 o 39.23899 1.118274  15.46662       0.8759593 15.07245       1.268509  15.82590       1.211074  -0.9659653     2.236548  
1 1 1 5   17 37 o 81.53925 1.195300  67.75879       1.865404  70.42832       2.348155  63.19200       3.071241  4.524940       2.390599  
1 1 1 5   17 38 o 52.71318 0.7535146 27.83400       0.7943817 27.54674       1.120490  28.12428       1.126384  -0.5473328     1.507029  
1 1 1 5   17 39 o 48.50983 0.7323710 23.32126       0.7067072 20.94232       0.9435507 26.36109       1.066592  -5.574677      1.464742  
1 1 1 5   17 40 o 24.15044 0.7488731 5.857033       0.3609098 5.553199       0.5184900 6.142624       0.5026841 -1.221825      1.497746  
1 1 1 5   17 41 o 13.05662 1.256212  1.852957       0.2916607 1.013584       0.4167089 2.659028       0.4083588 -6.450808      2.512424  
1 1 1 5   17 42 o 61.23654 0.8192093 37.28008       0.9971018 40.40512       1.515806  34.89645       1.323838  4.475548       1.638419  
1 1 1 5   17 43 o 34.46231 0.7301326 11.89216       0.5016195 12.03314       0.7416939 11.77332       0.6809824 0.3704453      1.460265  
1 1 1 5   17 44 o 46.16304 0.7419344 21.26398       0.6828702 22.61934       1.015788  20.14638       0.9224007 2.667095       1.483869  
1 1 1 5   17 45 o 36.63413 0.7295703 13.41808       0.5334781 14.04037       0.7851763 12.88447       0.7270734 1.570160       1.459141  
1 1 1 5   17 46 o 42.50776 0.8907769 17.86260       0.7454641 19.68096       1.183450  16.66652       0.9598210 3.509892       1.781554  
1 1 1 5   17 47 o 39.34593 0.9275603 15.53227       0.7293759 16.28620       1.054472  14.84066       1.009954  1.828842       1.855121  
1 1 1 5   17 48 o 35.04353 0.9260185 12.34820       0.6484078 11.70123       0.9149702 13.00091       0.9190173 -1.853596      1.852037  
1 1 1 5   17 49 o 33.60509 0.9304631 11.35005       0.6246718 10.63242       0.8740628 12.09925       0.8930828 -2.178551      1.860926  
1 1 1 5   17 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   17 51 o 25.76026 0.9974543 6.684700       0.5124835 6.051179       0.7171336 7.345908       0.7326374 -2.509140      1.994909  
1 1 1 5   17 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   18 0  f 79.13479 0.9215176 62.53230       1.456684  64.66525       2.124990  60.64148       2.000744  2.541275       1.843035  
1 1 1 5   18 1  o 350.7077 3.654576  1233.609       25.62045  1213.188       35.55624  1255.662       36.94948  -6.007477      7.309153  
1 1 1 5   18 2  o 220.0633 2.307578  484.7855       10.15294  478.0906       14.14330  491.9037       14.58366  -3.128738      4.615157  
1 1 1 5   18 3  o 368.8861 3.844140  1366.255       28.36086  1368.973       40.18241  1363.557       40.03464  0.7285767      7.688280  
1 1 1 5   18 4  o 77.56989 1.128490  59.40702       1.615309  62.21861       2.947062  58.19963       1.931247  2.579430       2.256980  
1 1 1 5   18 5  o 275.8745 4.088484  764.6921       22.55803  763.1210       31.83583  766.2763       31.96833  -0.5664063     8.176968  
1 1 1 5   18 6  o 323.0569 4.784568  1049.743       30.89088  1028.283       42.71440  1073.275       44.72771  -6.863617      9.569137  
1 1 1 5   18 7  o 43.22689 0.8594241 19.27517       0.6859438 20.33012       0.8370510 17.11830       1.196875  3.718258       1.718848  
1 1 1 5   18 8  o 174.6733 1.847218  304.0808       6.429366  320.4687       9.599537  290.7496       8.658152  8.488144       3.694436  
1 1 1 5   18 9  o 150.3136 1.602724  225.7388       4.811322  219.3463       6.596034  233.0073       7.033488  -4.536362      3.205447  
1 1 1 5   18 10 f 47.34423 0.6975183 22.39592       0.6600978 21.75574       0.9149568 23.09083       0.9532593 -1.409683      1.395037  
1 1 1 5   18 11 o 265.8099 2.779101  707.5813       14.75925  691.1789       20.33307  725.8486       21.45779  -6.483856      5.558201  
1 1 1 5   18 12 o 267.2403 2.794372  715.8694       14.92956  705.1479       20.76958  727.3319       21.47526  -4.125275      5.588743  
1 1 1 5   18 13 o 196.4383 2.070336  384.8848       8.104196  368.4499       10.91763  405.0545       12.09466  -9.282959      4.140672  
1 1 1 5   18 14 o 126.7433 1.370359  160.7682       3.473663  160.5934       4.904269  160.9443       4.920776  -0.1380768     2.740719  
1 1 1 5   18 15 o 258.2235 2.702806  668.8918       13.95659  662.7994       19.54214  675.2343       19.93904  -2.390594      5.405612  
1 1 1 5   18 16 o 69.61052 0.8425496 48.34063       1.171003  50.69405       1.718601  46.30116       1.599862  3.153648       1.685099  
1 1 1 5   18 17 f 96.62297 1.081698  92.66234       2.077307  87.07433       2.758158  99.98669       3.157727  -6.673592      2.163396  
1 1 1 5   18 18 o 117.6852 1.282901  138.6366       3.019565  138.7697       4.274424  138.5040       4.266209  0.1126404      2.565803  
1 1 1 5   18 19 o 56.32255 0.7410952 31.47677       0.8305672 29.29770       1.108400  34.26719       1.254280  -4.409111      1.482190  
1 1 1 5   18 20 o 97.50507 1.090948  95.03343       2.125354  97.77184       3.089818  92.57417       2.928107  2.660774       2.181897  
1 1 1 5   18 21 o 205.5313 2.167858  424.0337       8.910292  420.4991       12.49125  427.6954       12.71381  -1.736435      4.335717  
1 1 1 5   18 22 o 43.70110 0.6721126 18.80949       0.5827442 21.69779       0.8943817 16.67875       0.7681875 5.739689       1.344225  
1 1 1 5   18 23 o 56.10613 0.7470415 31.49672       0.8382485 31.75302       1.185024  31.24006       1.185901  0.4571495      1.494083  
1 1 1 5   18 24 o 34.82913 0.6511382 11.81043       0.4473645 14.72371       0.6999702 9.798688       0.5816669 7.067295       1.302276  
1 1 1 5   18 25 f 46.04636 0.6860883 21.05343       0.6292734 23.11032       0.9428044 19.40096       0.8450525 4.024899       1.372177  
1 1 1 5   18 26 o 68.09605 0.8361453 46.41275       1.138761  46.45029       1.612697  46.37541       1.608214  0.5481720E-01  1.672291  
1 1 1 5   18 27 o 95.15111 1.077451  90.63258       2.049561  89.01144       2.849187  92.37106       2.950500  -1.760048      2.154902  
1 1 1 5   18 28 o 46.43997 0.6955361 21.56408       0.6457317 20.93288       0.8974221 22.24171       0.9298458 -1.407970      1.391072  
1 1 1 5   18 29 o 70.15320 0.8631290 48.93269       1.205333  52.69655       1.814949  45.96277       1.612202  4.789650       1.726258  
1 1 1 5   18 30 o 38.85771 0.6740987 15.06174       0.5230231 14.11284       0.7166309 16.14327       0.7650763 -2.610653      1.348197  
1 1 1 5   18 31 o 48.57088 0.7196490 23.46746       0.6967493 25.52306       1.037992  21.78171       0.9399863 3.846535       1.439298  
1 1 1 5   18 32 o 106.5256 1.190070  113.7970       2.535455  113.8128       3.588631  113.7812       3.582727  0.1431274E-01  2.380140  
1 1 1 5   18 33 o 59.08406 1.024459  33.82705       1.082163  37.59433       2.111223  32.48453       1.260321  4.256001       2.048919  
1 1 1 5   18 34 o 22.07975 1.345237  4.837714       0.5904531 5.513254       0.8946903 4.316470       0.7859008 2.697577       2.690474  
1 1 1 5   18 35 o 43.34876 0.8147424 18.78327       0.6851022 18.65520       0.8674726 18.99556       1.116883  -0.3732338     1.629485  
1 1 1 5   18 36 o 62.39280 1.091838  38.89035       1.358531  41.33734       2.017002  36.85851       1.837961  3.568806       2.183676  
1 1 1 5   18 37 o 75.37854 1.249268  57.07577       1.882883  56.29066       2.627302  57.90479       2.699774  -1.060730      2.498535  
1 1 1 5   18 38 o 11.95333 1.384603  1.579701       0.3017117 0.9415715      0.4526255 2.089969       0.4047473 -4.958937      2.769206  
1 1 1 5   18 39 o 49.12657 0.7400472 24.07800       0.7247108 25.42187       1.079264  22.97450       0.9779946 2.481159       1.480094  
1 1 1 5   18 40 o 46.61776 0.7317995 21.62028       0.6797350 19.43964       0.9195964 24.24671       1.009224  -5.146923      1.463599  
1 1 1 5   18 41 o 47.44872 0.7365931 22.55874       0.6985118 22.68432       1.008276  22.44285       0.9686074 0.2502556      1.473186  
1 1 1 5   18 42 o 41.73072 0.7237211 17.45574       0.6038764 17.00789       0.8541164 17.90337       0.8539039 -1.072952      1.447442  
1 1 1 5   18 43 o 63.55890 0.9147187 40.67736       1.156540  41.86948       1.570455  39.26468       1.709576  2.070305       1.829437  
1 1 1 5   18 44 o 25.94598 0.8204788 6.795770       0.4197859 6.490357       0.6420616 7.023800       0.5547887 -1.040531      1.640958  
1 1 1 5   18 45 o 49.09586 0.9359791 23.70772       0.9004465 26.66867       1.456343  21.87527       1.145683  4.829105       1.871958  
1 1 1 5   18 46 o 73.31577 1.247981  54.21695       1.829897  54.43292       2.597838  54.00426       2.578007  0.2874603      2.495962  
1 1 1 5   18 47 o 53.32613 1.031214  28.52518       1.097964  27.02975       1.500909  30.24670       1.610376  -2.992695      2.062428  
1 1 1 5   18 48 o 16.19509 1.802898  0.000000       0.000000  ?              ?         2.649434       0.5839620 ?              ?         
1 1 1 5   18 49 o 9.405994 2.673065  0.9293571      0.5266207 0.9293571      0.5266207 ?              ?         ?              ?         
1 1 1 5   18 50 o 17.86898 1.174906  3.162232       0.4157622 3.730276       0.6436865 2.755600       0.5446082 2.697870       2.349812  
1 1 1 5   18 51 o 24.12834 1.409230  0.000000       0.000000  ?              ?         5.862315       0.6800478 ?              ?         
1 1 1 5   19 0  f 172.8376 2.259110  296.1523       7.248246  307.3705       13.05150  291.1494       8.715900  4.586395       4.518220  
1 1 1 5   19 1  o 123.7296 1.907159  152.7084       4.706285  160.4292       6.977435  146.2639       6.374711  5.711555       3.814318  
1 1 1 5   19 2  o 245.9883 3.653681  607.0148       17.95910  622.0170       26.06745  593.4603       24.77763  5.751877       7.307361  
1 1 1 5   19 3  f 136.5210 1.793918  187.8927       4.665087  191.0124       5.800935  182.1814       7.848866  3.275192       3.587836  
1 1 1 5   19 4  o 251.0941 2.627613  631.7435       13.19290  639.0724       18.88622  624.7592       18.43705  2.836609       5.255227  
1 1 1 5   19 5  o 176.9445 1.872212  313.1642       6.620537  320.6341       9.589852  306.3620       9.151246  4.023315       3.744424  
1 1 1 5   19 6  o 97.15738 1.086067  94.42801       2.110267  93.95163       2.965582  94.91665       3.003515  -0.4961319     2.172135  
1 1 1 5   19 7  o 151.9672 1.620421  230.6493       4.916027  223.2982       6.713503  239.1479       7.218565  -5.204590      3.240842  
1 1 1 5   19 8  o 98.48270 1.097837  96.84261       2.159212  100.4012       3.158470  93.72032       2.958503  3.389015       2.195675  
1 1 1 5   19 9  o 115.1571 1.257320  132.6245       2.894456  130.5072       4.021221  134.9008       4.169568  -1.905067      2.514640  
1 1 1 5   19 10 o 264.1719 2.765564  699.3930       14.59814  683.9193       20.13404  716.5434       21.19670  -6.130646      5.531128  
1 1 1 5   19 11 o 146.6501 1.569116  215.2968       4.602191  214.8500       6.494506  215.7475       6.522545  -0.3052979     3.138231  
1 1 1 5   19 12 o 135.7866 1.462234  183.8068       3.957451  176.0169       5.338603  193.3090       5.896211  -6.354111      2.924469  
1 1 1 5   19 13 o 91.91202 1.039874  84.49400       1.911027  83.34970       2.665695  85.70393       2.741082  -1.279350      2.079747  
1 1 1 5   19 14 o 26.24538 0.6670917 6.791910       0.3450911 8.647502       0.5200146 5.331642       0.4613075 6.316292       1.334183  
1 1 1 5   19 15 o 212.7981 2.238346  454.1643       9.525771  456.9377       13.55862  451.4612       13.38599  1.278549       4.476693  
1 1 1 5   19 16 o 125.7711 1.362394  157.5691       3.412822  150.0912       4.582927  166.8786       5.113454  -6.657265      2.724787  
1 1 1 5   19 17 o 30.21214 0.6371289 9.055624       0.3833562 8.106606       0.5169818 10.21489       0.5713868 -3.488285      1.274258  
1 1 1 5   19 18 o 147.9690 1.583246  219.0304       4.679290  225.8400       6.830468  213.0084       6.423314  4.318069       3.166492  
1 1 1 5   19 19 o 41.17593 0.6612862 16.89793       0.5435591 18.11581       0.7981104 15.84433       0.7423338 2.757126       1.322572  
1 1 1 5   19 20 o 134.5444 1.450852  181.3608       3.903746  179.9636       5.477802  182.8028       5.564686  -1.050949      2.901704  
1 1 1 5   19 21 o 23.34895 0.6857970 5.441543       0.3188394 4.762516       0.4399274 6.192859       0.4627520 -3.062426      1.371594  
1 1 1 5   19 22 f 72.35844 0.8692169 52.40013       1.257886  52.65828       1.784657  52.14528       1.773238  0.3540878      1.738434  
1 1 1 5   19 23 o 33.42380 0.6565955 10.92192       0.4333842 13.64232       0.6693232 8.958025       0.5686942 7.004524       1.313191  
1 1 1 5   19 24 o 65.84115 0.8234682 43.32655       1.083426  44.86635       1.572714  41.93581       1.494655  2.222519       1.646936  
1 1 1 5   19 25 f 101.5700 1.137469  103.0725       2.306001  99.24838       3.142840  107.5323       3.393977  -4.063988      2.274938  
1 1 1 5   19 26 o 59.89111 1.046578  35.81293       1.251016  34.22469       1.703519  37.67215       1.843125  -2.870457      2.093156  
1 1 1 5   19 27 o 54.76506 0.7541987 29.76925       0.8221579 27.51648       1.099240  32.62947       1.238611  -4.662357      1.508397  
1 1 1 5   19 28 o 69.28281 0.8570139 47.99913       1.186509  49.47098       1.721974  46.66864       1.637189  2.018127       1.714028  
1 1 1 5   19 29 f 118.1270 1.298924  139.9854       3.068741  140.1812       4.348361  139.7911       4.331400  0.1636200      2.597848  
1 1 1 5   19 30 o 40.24258 0.7594280 15.65382       0.5889820 18.27304       1.003377  14.27686       0.7275093 4.950413       1.518856  
1 1 1 5   19 31 o 51.79407 1.155869  26.89609       1.197204  26.38422       1.679341  27.42509       1.707207  -1.002403      2.311739  
1 1 1 5   19 32 o 72.59540 1.138222  51.17927       1.482299  49.18725       1.730315  56.67247       2.873369  -5.048981      2.276444  
1 1 1 5   19 33 o 107.0349 1.202069  114.9854       2.573253  115.0768       3.645279  114.8946       3.633011  0.8376312E-01  2.404138  
1 1 1 5   19 34 o 75.27650 0.9145973 56.50357       1.372581  53.19956       1.852958  60.52086       2.043203  -4.845345      1.829195  
1 1 1 5   19 35 o 111.1611 1.240196  123.8247       2.752232  119.2527       3.757447  129.1172       4.042673  -4.399635      2.480392  
1 1 1 5   19 36 f 18.00516 0.8482598 3.262616       0.3041772 3.041929       0.4406170 3.463550       0.4204353 -1.172770      1.696520  
1 1 1 5   19 37 o 36.69698 0.7034096 13.41841       0.5144811 14.33462       0.7674869 12.67071       0.6933246 2.260689       1.406819  
1 1 1 5   19 38 o 80.51650 1.046669  65.18552       1.673100  65.86783       2.241194  64.32659       2.514576  0.9949036      2.093338  
1 1 1 5   19 39 f 24.60691 0.8953554 5.906858       0.4336051 7.622364       0.6748334 4.700599       0.5658756 5.923594       1.790711  
1 1 1 5   19 40 o 23.64531 0.8915770 5.607111       0.4215066 5.694597       0.6050913 5.524637       0.5874985 0.3571148      1.783154  
1 1 1 5   19 41 o 49.68603 0.9752676 24.58932       0.9648033 22.72636       1.291962  26.93807       1.450662  -4.214924      1.950535  
1 1 1 5   19 42 o 48.20619 1.305458  0.000000       0.000000  ?              ?         23.33387       1.258623  ?              ?         
1 1 1 5   19 43 o 21.52219 0.8948715 4.752229       0.3767933 3.889593       0.5573051 5.478561       0.5113840 -3.698570      1.789743  
1 1 1 5   19 44 o 66.22708 1.161152  44.05359       1.535526  46.10710       2.250891  42.26605       2.100070  2.867943       2.322303  
1 1 1 5   19 45 o 18.55489 1.096788  3.463385       0.4052277 3.494229       0.6031390 3.438005       0.5471067 0.1393394      2.193576  
1 1 1 5   19 46 o 42.70620 1.340043  0.000000       0.000000  ?              ?         18.33650       1.144563  ?              ?         
1 1 1 5   19 47 o 42.47523 1.373868  18.14761       1.167107  18.14761       1.167107  ?              ?         ?              ?         
1 1 1 5   19 48 o 35.26075 0.9363607 12.50521       0.6602888 12.32247       0.9330581 12.68852       0.9345224 -0.5187378     1.872721  
1 1 1 5   19 49 o 16.05722 1.259027  2.594995       0.4021805 2.724553       0.6062536 2.493166       0.5374755 0.6986446      2.518055  
1 1 1 5   19 50 o 47.69550 1.456903  0.000000       0.000000  ?              ?         22.91812       1.389754  ?              ?         
1 1 1 5   20 0  o 280.9100 3.615873  787.7275       18.94788  808.1058       33.70184  778.3090       22.91194  4.773834       7.231747  
1 1 1 5   20 1  o 126.1101 1.366641  158.9323       3.443098  163.6611       5.013953  154.7125       4.736441  3.542633       2.733282  
1 1 1 5   20 2  f 143.3158 1.534111  205.1621       4.389881  212.6557       6.436182  198.6435       6.002900  4.879074       3.068221  
1 1 1 5   20 3  o 100.8293 1.122327  101.6465       2.262130  103.9057       3.262712  99.55516       3.139135  2.155365       2.244654  
1 1 1 5   20 4  o 195.8560 2.064265  383.7763       8.076856  394.7141       11.76212  374.0169       11.11051  5.263397       4.128531  
1 1 1 5   20 5  o 49.81612 0.6984466 24.82180       0.6958379 25.17813       0.9858035 24.46797       0.9823322 0.7127419      1.396893  
1 1 1 5   20 6  o 136.3898 1.469810  186.0995       4.007523  182.9878       5.567636  189.4449       5.772924  -2.362366      2.939621  
1 1 1 5   20 7  o 191.4754 2.021058  367.1248       7.736314  361.2215       10.75294  373.4594       11.13886  -3.183014      4.042115  
1 1 1 5   20 8  o 95.69524 1.074483  91.35233       2.051854  95.55555       3.026804  87.77840       2.791034  4.059280       2.148965  
1 1 1 5   20 9  o 77.25187 0.9092715 59.58043       1.402491  57.71893       1.917728  61.72081       2.056365  -2.587921      1.818543  
1 1 1 5   20 10 o 164.2995 1.746486  270.3760       5.738730  269.1166       8.075161  271.6610       8.157040  -0.7715912     3.492972  
1 1 1 5   20 11 f 66.73931 0.8200239 44.19674       1.088426  41.32972       1.448940  47.90973       1.648911  -4.926224      1.640048  
1 1 1 5   20 12 o 145.3473 1.557261  211.5261       4.525880  209.1742       6.321921  213.9987       6.482210  -1.654114      3.114523  
1 1 1 5   20 13 f 60.04559 0.7695132 35.29199       0.9114119 31.63293       1.175974  40.79587       1.442273  -7.625195      1.539026  
1 1 1 5   20 14 o 89.20061 1.013955  79.61074       1.808697  80.57432       2.582215  78.68263       2.534227  1.059128       2.027911  
1 1 1 5   20 15 o 45.95895 0.6795002 20.71237       0.6181433 24.32199       0.9607069 18.16227       0.8074932 6.698444       1.359000  
1 1 1 5   20 16 o 48.31221 0.6925781 23.31775       0.6686007 22.61060       0.9220040 24.10204       0.9709845 -1.542503      1.385156  
1 1 1 5   20 17 o 79.13185 0.9246498 62.24750       1.456345  58.63036       1.947093  66.84071       2.194132  -5.180260      1.849300  
1 1 1 5   20 18 o 32.61779 0.6405900 10.50939       0.4148803 12.42647       0.6249021 8.998342       0.5547934 5.253464       1.281180  
1 1 1 5   20 19 o 40.76499 0.6726963 16.57620       0.5475287 17.93621       0.7977088 15.36475       0.7528793 3.152905       1.345393  
1 1 1 5   20 20 f 54.91143 0.7343027 30.16607       0.8063201 29.84180       1.128943  30.50373       1.152025  -0.6020126     1.468605  
1 1 1 5   20 21 o 79.35400 0.9328672 63.03035       1.480327  62.50338       2.072964  63.57873       2.114654  -0.6758270     1.865734  
1 1 1 5   20 22 o 70.39301 0.8597639 49.15104       1.202999  53.58007       1.828896  45.77333       1.597150  5.535866       1.719528  
1 1 1 5   20 23 o 105.2776 1.171690  110.9553       2.465454  113.4439       3.564873  108.6736       3.413413  2.256798       2.343380  
1 1 1 5   20 24 o 64.85449 1.105384  42.12703       1.433531  42.67783       2.050786  41.60074       2.004641  0.8277130      2.210768  
1 1 1 5   20 25 o 38.58604 0.6665713 14.88399       0.5141468 14.36059       0.7140785 15.44743       0.7408890 -1.407360      1.333143  
1 1 1 5   20 26 o 78.59438 0.9340680 61.67406       1.465192  59.13566       1.995256  64.64496       2.158554  -3.496002      1.868136  
1 1 1 5   20 27 o 64.50084 0.8181663 41.59312       1.054323  42.95513       1.534701  40.37577       1.450902  1.994957       1.636333  
1 1 1 5   20 28 o 74.95419 1.336117  56.30951       2.001416  54.61948       2.764938  58.16970       2.900808  -2.355507      2.672235  
1 1 1 5   20 29 o 108.0909 1.743455  117.5651       3.769010  117.5291       5.339314  117.6008       5.321102  -0.3545380E-01 3.486911  
1 1 1 5   20 30 o 63.16951 0.8231048 39.96601       1.039900  39.84150       1.469649  40.09087       1.471635  -0.1972504     1.646210  
1 1 1 5   20 31 o 43.54513 0.7063571 18.65322       0.6094983 16.51108       0.7991614 21.63176       0.9423504 -5.870937      1.412714  
1 1 1 5   20 32 f 93.89771 1.079297  88.44530       2.026819  87.98985       2.853964  88.90877       2.878910  -0.4867249     2.158595  
1 1 1 5   20 33 o 93.90213 1.082935  88.27408       2.030274  85.15403       2.774073  91.87308       2.979394  -3.554466      2.165870  
1 1 1 5   20 34 o 81.29526 0.9726177 66.19990       1.580008  64.41084       2.179858  68.18016       2.293401  -2.306244      1.945235  
1 1 1 5   20 35 o 28.17279 0.7227130 7.981691       0.4056289 7.416445       0.5853736 8.503804       0.5625958 -1.931738      1.445426  
1 1 1 5   20 36 o 19.31264 0.8325526 3.682990       0.3184993 4.485046       0.4818847 3.060819       0.4244200 3.681229       1.665105  
1 1 1 5   20 37 o 35.52929 0.7033247 12.59709       0.4985679 13.36259       0.7370684 11.95142       0.6769274 1.980217       1.406649  
1 1 1 5   20 38 o 6.963039 1.554036  0.4172500      0.2565497 0.7635984      0.3935208 0.1612340      0.3383333 3.161045       3.108073  
1 1 1 5   20 39 o 39.19566 0.7142989 15.40423       0.5595824 15.08160       0.8005537 15.71246       0.7824932 -0.8066444     1.428598  
1 1 1 5   20 40 o 16.25710 0.9722890 2.608219       0.3127964 3.206255       0.4760303 2.153797       0.4149544 3.227646       1.944578  
1 1 1 5   20 41 o 45.07108 0.7489355 20.33536       0.6743950 19.11020       0.9339296 21.67027       0.9748636 -2.834698      1.497871  
1 1 1 5   20 42 o 36.37328 0.8440245 13.12961       0.6020065 12.56715       0.7711457 14.00727       0.9632881 -1.951038      1.688049  
1 1 1 5   20 43 o 13.75505 1.287744  1.902241       0.3532929 2.111716       0.5146399 1.715536       0.4858643 1.433239       2.575487  
1 1 1 5   20 44 o 15.91471 1.670655  0.000000       0.000000  ?              ?         2.552697       0.5317601 ?              ?         
1 1 1 5   20 45 f 16.29797 2.651025  2.713818       0.8641262 2.713818       0.8641262 ?              ?         ?              ?         
1 1 1 5   20 46 f 25.80903 0.9521265 6.702120       0.4911807 6.465335       0.6966369 6.936202       0.6926489 -0.9130516     1.904253  
1 1 1 5   20 47 o 23.10568 1.047805  5.370202       0.4751342 4.075311       0.6497889 6.858064       0.6965256 -6.010494      2.095610  
1 1 1 5   20 48 o 19.82513 1.120137  3.924571       0.4418327 4.426042       0.6658903 3.530140       0.5905615 2.238293       2.240275  
1 1 1 5   20 49 o 31.16381 2.365615  0.000000       0.000000  ?              ?         9.904135       1.474431  ?              ?         
1 1 1 5   21 0  o 160.8153 2.111449  254.9243       6.258562  248.4761       7.468172  270.1360       11.47051  -6.587982      4.222898  
1 1 1 5   21 1  o 164.6069 2.468398  271.7883       8.126299  271.6902       11.48263  271.8867       11.50204  -0.5882263E-01 4.936796  
1 1 1 5   21 2  o 84.97914 1.360805  71.99492       2.306302  76.02010       3.421104  68.64169       3.122516  4.333870       2.721610  
1 1 1 5   21 3  o 90.15891 1.426906  81.33532       2.571977  80.03087       3.578078  82.72990       3.699616  -1.493538      2.853812  
1 1 1 5   21 4  o 70.66934 1.018720  50.41875       1.388299  48.23668       2.263610  51.73445       1.757694  -2.484764      2.037439  
1 1 1 5   21 5  f 151.1541 1.614933  227.5087       4.858621  216.2843       6.500582  241.7150       7.313240  -8.385162      3.229866  
1 1 1 5   21 6  o 17.67650 0.7779648 3.126172       0.2742482 3.131575       0.3741443 3.119899       0.4031713 0.3351021E-01  1.555930  
1 1 1 5   21 7  o 154.1111 1.644946  237.6944       5.066310  232.7300       7.004600  243.1407       7.336617  -3.365509      3.289892  
1 1 1 5   21 8  o 196.8637 2.078400  388.4755       8.180161  382.8430       11.38366  394.4892       11.76264  -2.939789      4.156801  
1 1 1 5   21 9  o 202.7280 2.137726  412.2628       8.667533  412.1771       12.25306  412.3487       12.26243  -0.4183960E-01 4.275451  
1 1 1 5   21 10 o 273.0131 2.864075  748.8879       15.62272  731.3051       21.52197  768.4723       22.71390  -6.719788      5.728150  
1 1 1 5   21 11 f 177.3651 1.880824  315.2857       6.668953  310.2637       9.269225  320.6751       9.602237  -2.917847      3.761648  
1 1 1 5   21 12 f 119.8104 1.307439  143.6761       3.131592  141.2928       4.353738  146.2311       4.507755  -2.054932      2.614879  
1 1 1 5   21 13 o 92.73474 1.048271  86.06785       1.943945  85.27045       2.721734  86.89821       2.777418  -0.8757858     2.096542  
1 1 1 5   21 14 o 124.8660 1.356666  155.5030       3.376234  164.0505       5.033888  148.5141       4.551851  6.199463       2.713332  
1 1 1 5   21 15 o 87.36044 1.000374  76.34161       1.746963  74.89435       2.424087  77.90550       2.519853  -1.720131      2.000748  
1 1 1 5   21 16 o 126.6884 1.375427  160.4776       3.478998  155.4311       4.755310  166.2896       5.103181  -4.267967      2.750854  
1 1 1 5   21 17 o 88.69121 1.014751  78.75494       1.799982  79.07964       2.548997  78.43200       2.542133  0.3648300      2.029502  
1 1 1 5   21 18 o 139.1113 1.499762  193.3855       4.160838  185.5993       5.634957  202.7206       6.170002  -6.118256      2.999525  
1 1 1 5   21 19 o 165.7787 1.768073  275.9102       5.861729  274.0453       8.228944  277.8312       8.351895  -1.131912      3.536146  
1 1 1 5   21 20 o 46.04722 0.6959038 21.21231       0.6407524 20.98784       0.8952331 21.44807       0.9174986 -0.4989967     1.391808  
1 1 1 5   21 21 o 80.57889 0.9464981 64.39995       1.515024  60.06203       2.005913  70.16071       2.311592  -6.251625      1.892996  
1 1 1 5   21 22 o 19.31877 0.9044384 3.743944       0.3482928 3.638480       0.5096688 3.836348       0.4770667 -0.5136890     1.808877  
1 1 1 5   21 23 o 96.86896 1.095753  93.66588       2.116941  89.66193       2.867038  98.46558       3.139030  -4.527626      2.191505  
1 1 1 5   21 24 f 25.96248 0.7016054 6.719670       0.3635649 7.305967       0.5327081 6.208476       0.4974206 2.112144       1.403211  
1 1 1 5   21 25 o 160.9703 2.119105  263.1499       6.491836  255.1836       10.93452  267.4864       8.067542  -4.220291      4.238211  
1 1 1 5   21 26 o 70.30418 1.285758  49.12030       1.796657  53.74721       2.733037  45.59903       2.384242  5.763435       2.571517  
1 1 1 5   21 27 o 32.56516 0.9572547 10.23725       0.5435792 9.858684       0.6245332 11.42015       1.103969  -2.364964      1.914509  
1 1 1 5   21 28 o 110.0073 1.225144  121.4198       2.695275  122.2404       3.841055  120.6238       3.782998  0.7290192      2.450288  
1 1 1 5   21 29 o 120.7841 1.329796  146.4896       3.211966  144.9881       4.499628  148.0496       4.586426  -1.257439      2.659591  
1 1 1 5   21 30 o 44.66942 0.7152936 19.97392       0.6389222 19.51339       0.8944495 20.45373       0.9129801 -1.051300      1.430587  
1 1 1 5   21 31 o 59.50321 0.7985713 35.46563       0.9502561 35.97264       1.355490  34.97564       1.332534  0.8358688      1.597143  
1 1 1 5   21 32 f 43.58161 0.7226867 18.82678       0.6266302 21.22167       0.9447449 16.94555       0.8373250 4.897591       1.445373  
1 1 1 5   21 33 o 86.03297 1.014583  74.20174       1.744707  72.55299       2.417088  75.99525       2.520965  -1.988441      2.029167  
1 1 1 5   21 34 o 51.56673 0.7571946 26.54089       0.7792302 28.25203       1.149076  25.08401       1.060269  3.063484       1.514389  
1 1 1 5   21 35 o 38.50320 0.7083961 14.60681       0.5407224 16.85245       0.8341837 12.97952       0.7101076 5.017723       1.416792  
1 1 1 5   21 36 f 61.75623 0.8211869 38.09272       1.011630  40.19062       1.497907  36.33337       1.371727  3.108818       1.642374  
1 1 1 5   21 37 f 47.46038 0.7458012 22.49300       0.7065156 20.75806       0.9680634 24.47029       1.033468  -3.903831      1.491602  
1 1 1 5   21 38 o 57.87903 0.8002499 33.50611       0.9245825 34.88882       1.359274  32.31549       1.261327  2.211403       1.600500  
1 1 1 5   21 39 o 54.41497 0.7850658 29.69318       0.8541316 29.77246       1.223716  29.61786       1.192729  0.1380386      1.570132  
1 1 1 5   21 40 o 8.261897 1.374105  0.6607651      0.2919813 -0.1913530     0.4321308 1.376600       0.3960699 -6.858558      2.748211  
1 1 1 5   21 41 o 40.92392 1.592306  16.64126       1.120079  16.34152       1.283894  17.59616       2.291589  -1.255707      3.184612  
1 1 1 5   21 42 o 29.04341 1.310815  0.000000       0.000000  ?              ?         8.474465       0.7614107 ?              ?         
1 1 1 5   21 43 o 44.38982 1.362589  19.80828       1.209702  19.80828       1.209702  ?              ?         ?              ?         
1 1 1 5   21 44 o 33.84140 0.9221682 11.49451       0.6235615 12.18714       0.9017308 10.85977       0.8632271 1.953228       1.844336  
1 1 1 5   21 45 o 56.71741 1.065277  32.38905       1.208180  31.90798       1.689217  32.89288       1.728717  -0.8588867     2.130554  
1 1 1 5   21 46 o 13.02682 1.469999  1.729840       0.3691898 2.166166       0.5498108 1.371557       0.4982198 3.207773       2.939999  
1 1 1 5   21 47 o 25.85384 0.9786563 6.744098       0.5046187 6.197745       0.7164086 7.282083       0.7109005 -2.098389      1.957313  
1 1 1 5   21 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   22 0  o 204.5121 2.156595  419.5838       8.820877  418.5425       12.43727  420.6378       12.51227  -0.5083160     4.313189  
1 1 1 5   22 1  o 87.33829 0.9996399 76.12329       1.742709  79.56129       2.564011  73.17136       2.375855  3.653511       1.999280  
1 1 1 5   22 2  o 97.96594 1.097261  95.93513       2.147748  93.51641       2.959004  98.62821       3.122321  -2.604469      2.194521  
1 1 1 5   22 3  o 128.9128 1.395361  166.3082       3.595528  163.2984       4.984703  169.5725       5.191276  -2.426064      2.790721  
1 1 1 5   22 4  o 58.02033 0.9053850 33.24403       0.9853036 32.44872       1.193815  34.94332       1.745027  -2.136631      1.810770  
1 1 1 5   22 5  f 41.85363 0.8761565 17.52914       0.7333363 17.79161       1.036367  17.26594       1.037823  0.6280289      1.752313  
1 1 1 5   22 6  o 62.20775 1.072121  38.11749       1.320137  43.02943       2.054888  34.66545       1.722657  6.712307       2.144241  
1 1 1 5   22 7  o 48.22958 0.9197160 23.24150       0.8861444 22.55699       1.218501  24.00993       1.291037  -1.504253      1.839432  
1 1 1 5   22 8  o 164.5672 2.259475  272.2095       7.303357  271.2782       11.45280  272.8478       9.481289  -0.6173706     4.518950  
1 1 1 5   22 9  o 133.7637 1.557579  179.8420       4.150887  172.4359       6.067236  186.3587       5.691269  -5.223419      3.115157  
1 1 1 5   22 10 o 28.79054 0.6566680 8.248528       0.3762056 9.512826       0.5524968 7.155600       0.5136905 4.092896       1.313336  
1 1 1 5   22 11 o 62.01290 0.7908758 38.12568       0.9755259 41.88877       1.477130  35.21479       1.299149  5.376278       1.581752  
1 1 1 5   22 12 o 71.92886 0.8648125 51.62522       1.241447  49.58051       1.690042  54.02155       1.829592  -3.082733      1.729625  
1 1 1 5   22 13 o 84.51258 0.9786327 70.74085       1.641617  77.54542       2.516581  65.70064       2.165884  6.994141       1.957265  
1 1 1 5   22 14 o 67.48602 0.8330216 45.57376       1.124153  45.16141       1.572598  46.00467       1.607562  -0.6235046     1.666043  
1 1 1 5   22 15 o 35.73600 0.6432793 12.63848       0.4571737 11.42922       0.6089425 14.20053       0.6920922 -3.875076      1.286559  
1 1 1 5   22 16 o 44.21674 0.6768538 19.49248       0.5974826 21.00187       0.8751694 18.17484       0.8176918 3.195004       1.353708  
1 1 1 5   22 17 o 103.1010 1.150906  106.0794       2.365999  101.5559       3.199476  111.5384       3.514757  -4.823799      2.301811  
1 1 1 5   22 18 o 59.09943 0.7744351 34.61963       0.9094470 32.15181       1.205441  37.88021       1.385600  -4.839375      1.548870  
1 1 1 5   22 19 o 117.4045 1.290179  138.0755       3.027534  135.3714       4.192880  141.0211       4.376158  -2.393600      2.580357  
1 1 1 5   22 20 o 70.36703 0.8659959 48.77708       1.205176  44.56527       1.568543  54.84669       1.882968  -7.290710      1.731992  
1 1 1 5   22 21 o 79.05281 0.9356555 62.58144       1.479312  62.52563       2.087537  62.63774       2.096620  -0.7042694E-01 1.871311  
1 1 1 5   22 22 o 40.78320 0.8976693 16.05729       0.6533886 17.98568       1.280639  15.37866       0.7597076 3.167515       1.795339  
1 1 1 5   22 23 o 11.65641 2.266769  1.411019       0.5451835 1.305007       0.7536063 1.527420       0.7896693 -0.8569679     4.533537  
1 1 1 5   22 24 f 68.42863 1.089271  44.82117       1.319539  42.58282       1.524613  51.50317       2.634205  -6.434486      2.178541  
1 1 1 5   22 25 o 32.43708 0.6787691 10.49400       0.4394208 11.47458       0.6419221 9.629324       0.6027918 2.842400       1.357538  
1 1 1 5   22 26 o 71.43506 0.8797687 51.10709       1.256749  50.29311       1.759452  51.95499       1.795725  -1.160614      1.759537  
1 1 1 5   22 27 o 25.63885 0.7293023 6.543785       0.3711801 5.497967       0.5058783 7.763433       0.5463055 -4.415504      1.458605  
1 1 1 5   22 28 o 45.37012 0.7146077 20.56515       0.6476838 19.55177       0.8908895 21.70122       0.9432806 -2.365269      1.429215  
1 1 1 5   22 29 o 23.74601 0.7630585 5.614220       0.3589318 4.607257       0.4885622 6.795066       0.5290663 -4.603523      1.526117  
1 1 1 5   22 30 o 59.46795 0.8051641 35.43305       0.9576224 35.40274       1.351485  35.46360       1.357097  -0.5068588E-01 1.610328  
1 1 1 5   22 31 o 27.78867 0.7318766 7.636634       0.4033145 9.192618       0.6065762 6.403634       0.5399634 5.012699       1.463753  
1 1 1 5   22 32 o 23.42786 0.7833191 5.470481       0.3654851 6.232099       0.5371499 4.813909       0.4987336 3.023077       1.566638  
1 1 1 5   22 33 o 29.07633 0.7362486 8.428711       0.4266489 9.488154       0.6263742 7.511756       0.5827322 3.394468       1.472497  
1 1 1 5   22 34 o 31.16530 0.7268460 9.705840       0.4524240 9.127048       0.6217299 10.35728       0.6595960 -1.969994      1.453692  
1 1 1 5   22 35 o 11.17988 1.288389  1.261160       0.2794589 1.523195       0.4193453 1.051814       0.3748212 2.252705       2.576778  
1 1 1 5   22 36 o 35.50414 0.7204489 12.64608       0.5110210 12.19542       0.7308034 13.07728       0.7148465 -1.243595      1.440898  
1 1 1 5   22 37 o 23.62697 0.7956471 5.521745       0.3733448 6.455201       0.5657674 4.801731       0.4968911 3.490553       1.591294  
1 1 1 5   22 38 o 6.499373 1.601610  0.3631877      0.2708364 0.9452646E-01  0.4143254 0.5636384      0.3578844 -1.855252      3.203220  
1 1 1 5   22 39 o 25.69744 0.8418835 6.635116       0.4318198 6.775462       0.5959859 6.480018       0.6265293 0.5793819      1.683767  
1 1 1 5   22 40 o 19.21733 5.027004  4.076316       1.954138  4.076316       1.954138  ?              ?         ?              ?         
1 1 1 5   22 41 o 21.20695 1.463047  4.524234       0.6205353 4.524234       0.6205353 ?              ?         ?              ?         
1 1 1 5   22 42 o 29.90464 0.9208280 8.985964       0.5506765 9.180524       0.7836440 8.796166       0.7739940 0.6407986      1.841656  
1 1 1 5   22 43 o 59.96094 1.096609  36.22509       1.315045  36.26076       1.854112  36.18897       1.865449  0.6262970E-01  2.193218  
1 1 1 5   22 44 o 29.51415 0.9259859 8.716075       0.5451076 9.353779       0.8080816 8.183584       0.7384171 1.967762       1.851972  
1 1 1 5   22 45 o 84.74702 1.401583  72.69221       2.372975  75.17637       3.456134  70.47672       3.263897  2.706123       2.803166  
1 1 1 5   22 46 o 31.90187 0.9205146 10.21672       0.5867339 9.677986       0.8100100 10.81142       0.8510442 -1.767210      1.841029  
1 1 1 5   22 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   23 0  o 144.7470 1.553697  209.9508       4.497164  212.2526       6.428518  207.7446       6.293532  1.550232       3.107394  
1 1 1 5   23 1  f 48.53719 0.6929093 23.55929       0.6724416 23.17460       0.9372973 23.96730       0.9652717 -0.8159370     1.385819  
1 1 1 5   23 2  o 144.2382 1.548513  208.4404       4.465598  205.5941       6.219881  211.4683       6.415268  -2.026108      3.097026  
1 1 1 5   23 3  o 66.57247 0.8222892 44.03991       1.090180  47.67250       1.636711  41.14303       1.461601  4.899155       1.644578  
1 1 1 5   23 4  o 100.3412 1.119898  100.7594       2.246715  102.5552       3.227488  99.07107       3.129450  1.732399       2.239796  
1 1 1 5   23 5  o 92.08528 1.043228  84.84339       1.920645  86.50309       2.761205  83.28766       2.673330  1.742706       2.086457  
1 1 1 5   23 6  o 84.45160 0.9748223 71.34666       1.645665  70.13074       2.284048  72.65932       2.373152  -1.493942      1.949645  
1 1 1 5   23 7  o 197.1188 2.085532  389.5385       8.207385  377.4673       11.21458  403.4607       12.04371  -6.528366      4.171063  
1 1 1 5   23 8  o 140.0227 1.508195  196.4536       4.221504  193.1904       5.860075  199.9739       6.086581  -2.408646      3.016390  
1 1 1 5   23 9  o 77.48117 1.115294  58.49877       1.589834  56.14011       1.888170  64.24436       2.946963  -5.180290      2.230587  
1 1 1 5   23 10 o 111.3909 1.719684  124.5156       3.830540  123.4060       5.361090  125.6730       5.475113  -1.008987      3.439367  
1 1 1 5   23 11 f 85.30147 1.364706  72.66650       2.321469  69.61404       3.142077  76.33566       3.444884  -3.921318      2.729411  
1 1 1 5   23 12 o 82.22952 1.324940  67.55105       2.173979  70.91285       3.209418  64.70068       2.955228  3.761871       2.649880  
1 1 1 5   23 13 o 75.16689 1.080235  56.46371       1.545478  56.99604       2.631412  56.18338       1.909516  0.5040665      2.160469  
1 1 1 5   23 14 o 115.7009 1.273054  133.9954       2.942828  137.8337       4.280549  130.5553       4.052392  3.131050       2.546107  
1 1 1 5   23 15 o 37.68977 0.6599739 14.20874       0.4972895 14.03071       0.6919553 14.39891       0.7151660 -0.4876633     1.319948  
1 1 1 5   23 16 f 37.00244 0.6654040 13.44085       0.4876597 16.15537       0.7495666 11.44865       0.6421390 6.356197       1.330808  
1 1 1 5   23 17 f 12.98847 1.124854  1.711269       0.2881505 1.414874       0.4138731 1.990103       0.4014247 -2.215142      2.249709  
1 1 1 5   23 18 o 47.70071 0.7096661 22.51829       0.6729299 20.47616       0.8938467 25.18997       1.022386  -4.935825      1.419332  
1 1 1 5   23 19 o 16.00327 1.736694  2.578849       0.5496542 2.604818       0.7272224 2.544246       0.8394595 0.2011690      3.473387  
1 1 1 5   23 20 o 127.7454 2.003632  164.4047       5.118309  162.3572       7.162104  166.5419       7.317151  -1.616898      4.007264  
1 1 1 5   23 21 o 27.46592 1.023143  7.509205       0.4720119 7.467268       0.5367373 7.652304       0.9914842 -0.3054218     2.046287  
1 1 1 5   23 22 o 95.68662 1.088323  91.65430       2.080592  94.34518       3.026844  89.24406       2.864653  2.653015       2.176646  
1 1 1 5   23 23 o 50.64171 0.7337750 25.56265       0.7413369 24.09315       1.005919  27.30961       1.096781  -3.170525      1.467550  
1 1 1 5   23 24 o 36.92632 0.6886778 13.61863       0.5079966 12.95339       0.6983129 14.36640       0.7403610 -1.910881      1.377356  
1 1 1 5   23 25 o 41.00535 0.7028357 16.62856       0.5728352 14.82786       0.7619232 18.96972       0.8687755 -5.043774      1.405671  
1 1 1 5   23 26 o 41.61596 0.7119693 17.30563       0.5919442 18.33681       0.8598191 16.37651       0.8161576 2.352226       1.423939  
1 1 1 5   23 27 o 50.34628 0.7406611 25.26896       0.7438782 23.72240       1.008968  27.11073       1.101059  -3.357952      1.481322  
1 1 1 5   23 28 o 5.505788 1.517608  0.1165866      0.2527106 0.3730702      0.3778371 -0.9101886E-01 0.3399337 2.050268       3.035216  
1 1 1 5   23 29 o 50.49197 0.7495874 25.53617       0.7568826 25.26455       1.060991  25.81765       1.080051  -0.5460930     1.499175  
1 1 1 5   23 30 o 64.04488 0.8355048 41.05637       1.069250  39.75931       1.474676  42.49416       1.552629  -2.127235      1.671010  
1 1 1 5   23 31 o 70.70303 0.8885614 50.11603       1.256146  50.85068       1.801726  49.42120       1.752225  1.005226       1.777123  
1 1 1 5   23 32 o 59.08017 0.8096903 34.99195       0.9567090 34.95675       1.347931  35.02770       1.358108  -0.5893707E-01 1.619381  
1 1 1 5   23 33 o 28.75138 0.7471229 8.239687       0.4284492 8.987628       0.6337652 7.610137       0.5814472 2.390087       1.494246  
1 1 1 5   23 34 o 9.893398 1.464394  1.026864       0.2862897 0.7023924      0.4075248 1.343031       0.4022756 -3.318841      2.928789  
1 1 1 5   23 35 o 71.28647 0.9087282 50.93525       1.294571  49.50245       1.787781  52.51476       1.877081  -2.100533      1.817456  
1 1 1 5   23 36 o 31.64877 0.7335946 10.05489       0.4633963 9.816429       0.6725637 10.27039       0.6393774 -0.7212887     1.467189  
1 1 1 5   23 37 f 29.36007 0.7504807 8.552020       0.4380372 9.512824       0.6654770 7.817484       0.5818647 2.876087       1.500961  
1 1 1 5   23 38 o 54.01461 1.836169  29.42396       1.983599  29.42396       1.983599  ?              ?         ?              ?         
1 1 1 5   23 39 o 50.11505 2.966453  25.71257       2.973279  25.71257       2.973279  ?              ?         ?              ?         
1 1 1 5   23 40 o 32.70839 0.9123245 10.71730       0.5959244 11.48580       0.8693411 10.03609       0.8184851 2.206841       1.824649  
1 1 1 5   23 41 o 39.42847 0.9303677 15.44334       0.7291828 17.51689       1.106402  13.85107       0.9695390 4.620537       1.860735  
1 1 1 5   23 42 o 43.88026 0.9557357 19.36413       0.8387475 19.44521       1.189936  19.28406       1.182436  0.1820412      1.911471  
1 1 1 5   23 43 o 48.00005 0.9840289 23.12860       0.9434296 24.42187       1.377235  21.98520       1.294983  2.519279       1.968058  
1 1 1 5   23 44 o 13.66410 1.343403  1.884485       0.3664210 2.001866       0.5389611 1.783598       0.4996625 0.7853575      2.686806  
1 1 1 5   23 45 o 48.78344 1.001400  23.96383       0.9769840 23.92150       1.374135  24.00710       1.389318  -0.8399963E-01 2.002800  
1 1 1 5   24 0  f 110.8949 1.222745  123.0901       2.709848  120.4626       3.745388  125.9765       3.925565  -2.476440      2.445491  
1 1 1 5   24 1  o 89.16339 1.019249  79.21446       1.810788  75.37762       2.436803  83.94579       2.705979  -4.792671      2.038497  
1 1 1 5   24 2  o 52.44911 0.7211578 27.24989       0.7523152 30.28172       1.139022  24.90375       1.001974  5.122463       1.442316  
1 1 1 5   24 3  o 21.06376 0.7257858 4.440085       0.3051326 4.444665       0.4184950 4.434886       0.4458478 0.2409744E-01  1.451572  
1 1 1 5   24 4  o 28.76174 0.6604689 8.266899       0.3794155 8.893625       0.5461950 7.682462       0.5274450 2.104956       1.320938  
1 1 1 5   24 5  o 32.11035 0.6468688 10.32410       0.4150950 10.70845       0.5839155 9.931441       0.5902010 1.210081       1.293738  
1 1 1 5   24 6  o 109.8237 1.215279  120.6553       2.665972  117.2990       3.661466  124.4423       3.889352  -3.239418      2.430557  
1 1 1 5   24 7  o 104.8389 1.169352  110.0712       2.451207  111.7394       3.516451  108.4945       3.418677  1.542198       2.338704  
1 1 1 5   24 8  o 150.4586 1.614138  227.1743       4.857167  226.6502       6.850155  227.7042       6.888144  -0.3473206     3.228276  
1 1 1 5   24 9  o 73.39153 0.8826274 53.86391       1.294445  52.60352       1.786770  55.25610       1.877868  -1.803177      1.765255  
1 1 1 5   24 10 o 87.45158 1.009874  76.27111       1.761228  80.68057       2.614177  72.60609       2.383308  4.604683       2.019749  
1 1 1 5   24 11 o 29.51647 0.6557458 8.647467       0.3854118 7.966840       0.5165070 9.502542       0.5789277 -2.599287      1.311492  
1 1 1 5   24 12 o 79.45841 0.9368185 63.21960       1.488704  63.11721       2.095305  63.32397       2.115531  -0.1290894     1.873637  
1 1 1 5   24 13 o 58.88918 0.7806758 34.61116       0.9180982 36.71893       1.342935  32.76158       1.257997  3.356373       1.561352  
1 1 1 5   24 14 o 42.67744 0.8835281 18.23348       0.7539881 18.10229       1.054419  18.37075       1.078592  -0.3133163     1.767056  
1 1 1 5   24 15 o 76.21252 1.773819  0.000000       0.000000  ?              ?         58.23656       2.703743  ?              ?         
1 1 1 5   24 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   24 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   24 18 o 40.42963 0.7858281 15.57908       0.6021122 18.81421       1.072030  14.08824       0.7277416 5.825672       1.571656  
1 1 1 5   24 19 o 66.84796 0.8449067 44.37634       1.123362  41.37754       1.495800  48.25578       1.701315  -5.132370      1.689813  
1 1 1 5   24 20 o 54.30811 0.7539808 28.94010       0.8095421 33.56264       1.267562  25.75577       1.052053  7.175095       1.507962  
1 1 1 5   24 21 o 82.98659 0.9762992 68.99654       1.619998  70.05504       2.322492  67.99355       2.260799  1.237106       1.952598  
1 1 1 5   24 22 o 87.00523 1.013504  75.74541       1.761190  73.29975       2.415255  78.52243       2.573686  -2.987526      2.027008  
1 1 1 5   24 23 o 47.57128 0.7322693 22.66189       0.6966939 22.79267       0.9863357 22.53166       0.9842157 0.2741890      1.464539  
1 1 1 5   24 24 o 33.52899 0.6916069 11.25524       0.4636043 10.83327       0.6510371 11.68935       0.6603326 -1.275990      1.383214  
1 1 1 5   24 25 o 38.86308 0.6985629 15.08732       0.5422795 14.21620       0.7461802 16.06238       0.7894453 -2.372066      1.397126  
1 1 1 5   24 26 o 15.77979 0.9635385 2.476220       0.2939345 3.456590       0.4410322 1.692759       0.3942612 5.584150       1.927077  
1 1 1 5   24 27 o 44.51719 0.7233674 19.83753       0.6438032 20.38283       0.9260122 19.32736       0.8956949 1.182945       1.446735  
1 1 1 5   24 28 f 29.67036 0.7262988 8.815889       0.4309059 9.015146       0.6166282 8.625717       0.6024066 0.6549950      1.452598  
1 1 1 5   24 29 o 47.05521 0.7428241 22.18691       0.6990721 22.25727       0.9885931 22.11653       0.9886812 0.1495590      1.485648  
1 1 1 5   24 30 o 37.59993 0.7211424 14.16282       0.5421714 13.73689       0.7613317 14.60108       0.7722778 -1.148125      1.442285  
1 1 1 5   24 31 o 75.89397 0.9356073 57.63076       1.417514  55.17806       1.934126  60.47704       2.083538  -3.471619      1.871215  
1 1 1 5   24 32 o 65.52216 0.8585054 43.00938       1.124137  44.35746       1.629779  41.78601       1.552570  1.952606       1.717011  
1 1 1 5   24 33 f 24.27165 0.8035563 5.897984       0.3891162 5.341859       0.5394883 6.501007       0.5617751 -2.385185      1.607113  
1 1 1 5   24 34 f 36.90041 0.7455413 13.62020       0.5495191 14.56948       0.7979985 12.76408       0.7578311 2.441357       1.491083  
1 1 1 5   24 35 o 39.90715 1.034138  15.13849       0.7076735 17.73069       1.488858  14.38192       0.8043419 4.073421       2.068275  
1 1 1 5   24 36 o 45.40765 1.219128  20.75859       1.102997  20.92551       1.635015  20.61918       1.494223  0.3069382      2.438256  
1 1 1 5   24 37 o 25.61794 0.9032466 6.584951       0.4624126 6.449245       0.6388178 6.734324       0.6702116 -0.5511208     1.806493  
1 1 1 5   24 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   24 39 f 53.44816 1.025708  28.74483       1.096421  28.89677       1.556770  28.59529       1.544451  0.2793808      2.051417  
1 1 1 5   24 40 o 22.57003 1.008046  5.062956       0.4514373 6.050847       0.6785631 4.278519       0.6046654 3.909803       2.016092  
1 1 1 5   24 41 o 9.397991 1.809876  0.9254004      0.3444490 0.9560421      0.5447915 0.9049940      0.4445894 0.2866840      3.619752  
1 1 1 5   24 42 o 40.49152 0.9368179 16.49480       0.7586512 16.37118       1.069778  16.61987       1.076040  -0.3056641     1.873636  
1 1 1 5   24 43 o 47.83422 0.9943646 22.96646       0.9497825 24.45482       1.390502  21.66471       1.300410  2.894394       1.988729  
1 1 1 5   24 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   25 0  o 78.26648 0.9236748 60.81173       1.436705  56.99827       1.906461  65.82388       2.185650  -5.625069      1.847350  
1 1 1 5   25 1  o 95.18694 1.075440  90.64770       2.045615  93.31277       2.968312  88.23713       2.823027  2.658157       2.150879  
1 1 1 5   25 2  o 72.08576 0.8708370 51.77765       1.251022  49.31277       1.685403  54.80203       1.866913  -3.799286      1.741674  
1 1 1 5   25 3  o 40.57638 0.6712223 16.24052       0.5406743 19.11870       0.8201873 14.02859       0.7190196 6.268719       1.342445  
1 1 1 5   25 4  o 108.5990 1.204212  118.1584       2.614835  116.7752       3.648361  119.6194       3.749585  -1.303024      2.408425  
1 1 1 5   25 5  f 94.94146 1.076411  89.75683       2.034370  85.06209       2.722975  95.68794       3.060596  -5.576584      2.152821  
1 1 1 5   25 6  o 108.5806 1.205649  118.1315       2.617664  116.8754       3.657944  119.4499       3.747555  -1.179680      2.411298  
1 1 1 5   25 7  f 136.4451 1.477603  186.2818       4.023028  179.6014       5.472016  194.1403       5.934985  -5.290436      2.955207  
1 1 1 5   25 8  o 67.57040 0.8375592 45.67011       1.131374  46.98534       1.630107  44.44775       1.571511  1.875023       1.675118  
1 1 1 5   25 9  o 76.59579 0.9146966 58.74709       1.401227  59.06756       1.985185  58.42891       1.978103  0.4165421      1.829393  
1 1 1 5   25 10 o 52.86201 0.7409022 27.95457       0.7830955 28.81184       1.121684  27.13944       1.093771  1.580639       1.481804  
1 1 1 5   25 11 o 42.30507 1.257746  0.000000       0.000000  ?              ?         17.92192       1.064181  ?              ?         
1 1 1 5   25 12 o 147.1286 2.271301  218.5359       6.683226  219.7087       9.500567  217.3871       9.403202  0.7744293      4.542603  
1 1 1 5   25 13 o 59.86630 1.181239  35.92641       1.414062  36.88771       2.018770  35.00045       1.981327  1.573166       2.362478  
1 1 1 5   25 14 o 88.56427 1.278328  78.36389       2.101296  77.81815       2.532644  79.56943       3.764197  -0.8799820     2.556657  
1 1 1 5   25 15 o 39.22654 0.6796587 15.34133       0.5319347 14.56702       0.7223085 16.25890       0.7862971 -2.153503      1.359317  
1 1 1 5   25 16 o 94.36480 1.075311  89.25638       2.029366  89.92686       2.883956  88.59875       2.856161  0.7015076      2.150623  
1 1 1 5   25 17 o 26.13512 0.7006492 6.834138       0.3647495 7.695621       0.5251009 6.030898       0.5070406 3.183840       1.401298  
1 1 1 5   25 18 o 69.48108 0.8651914 48.34815       1.202123  49.21285       1.717118  47.51697       1.683499  1.217972       1.730383  
1 1 1 5   25 19 o 68.45264 1.014704  47.35032       1.342240  48.49011       1.703614  45.48471       2.179556  2.236618       2.029407  
1 1 1 5   25 20 o 60.60229 1.067507  36.83110       1.293787  37.31078       1.841503  36.36353       1.818105  0.7792320      2.135014  
1 1 1 5   25 21 o 47.60039 0.9349603 22.55665       0.8866460 24.54826       1.327065  20.95075       1.191650  3.766232       1.869921  
1 1 1 5   25 22 o 38.12609 0.8668824 14.55836       0.6607755 14.19920       0.9194900 14.94194       0.9502229 -0.9712791     1.733765  
1 1 1 5   25 23 o 13.11530 1.276828  1.922853       0.2911731 0.9512256      0.4232127 2.796156       0.4012282 -7.176560      2.553656  
1 1 1 5   25 24 f 29.88916 0.7217373 8.958868       0.4308673 8.480030       0.6120587 9.429285       0.6066540 -1.588396      1.443475  
1 1 1 5   25 25 o 36.13030 0.7030352 13.07290       0.5079026 12.68571       0.7131594 13.47141       0.7235181 -1.086445      1.406070  
1 1 1 5   25 26 o 30.31896 0.7137952 9.178432       0.4317397 8.314265       0.5935476 10.14938       0.6291509 -3.023169      1.427590  
1 1 1 5   25 27 o 35.67594 0.7207999 12.70236       0.5131932 13.88199       0.7513669 11.67084       0.7026132 3.094299       1.441600  
1 1 1 5   25 28 f 64.16234 0.8429608 41.18074       1.080026  43.01784       1.582530  39.57911       1.477635  2.667686       1.685922  
1 1 1 5   25 29 f 43.12918 0.7321860 18.60710       0.6309924 19.51228       0.9159152 17.78941       0.8705297 1.992661       1.464372  
1 1 1 5   25 30 o 10.41804 1.420840  1.101416       0.2893187 1.326775       0.4326470 0.9191191      0.3891221 2.116961       2.841680  
1 1 1 5   25 31 o 46.46099 0.7566070 21.63902       0.7030309 21.62611       0.9981498 21.65173       0.9903675 -0.2846146E-01 1.513214  
1 1 1 5   25 32 o 48.57655 0.7673023 23.59787       0.7444455 22.22521       1.022891  25.14372       1.085506  -2.996071      1.534605  
1 1 1 5   25 33 f 25.09736 1.629891  6.334022       0.8144076 5.582695       1.103111  7.234184       1.207440  -3.260328      3.259782  
1 1 1 5   25 34 o 34.20203 1.157967  12.38757       0.6578238 12.93158       0.7548695 10.67044       1.341125  3.417843       2.315934  
1 1 1 5   25 35 o 5.636395 1.639741  0.1019829      0.2979040 0.7722133E-01  0.4184399 0.1274332      0.4242194 -0.2035427     3.279483  
1 1 1 5   25 36 o 25.65507 0.9310037 6.616323       0.4772901 6.544405       0.6872401 6.683333       0.6633728 -0.2751484     1.862007  
1 1 1 5   25 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   25 38 o 30.17878 0.9168855 9.157379       0.5530072 9.118876       0.7964905 9.193214       0.7684059 -0.1289196     1.833771  
1 1 1 5   25 39 o 29.30407 0.9261122 8.640453       0.5419704 8.079226       0.7648823 9.206341       0.7680514 -1.922483      1.852224  
1 1 1 5   25 40 f 32.19017 0.9149019 10.41324       0.5887930 10.66982       0.8470950 10.17340       0.8189749 0.7649841      1.829804  
1 1 1 5   25 41 o 29.96997 0.9339930 9.035940       0.5596349 8.704148       0.7856253 9.377748       0.7973924 -1.121021      1.867986  
1 1 1 5   25 42 f 39.94813 0.9496694 16.03601       0.7581593 16.90351       1.094503  15.23578       1.051206  2.077229       1.899339  
1 1 1 5   26 0  o 84.21219 0.9788027 70.97995       1.647605  69.61057       2.284144  72.46526       2.378872  -1.689445      1.957605  
1 1 1 5   26 1  o 71.84480 0.8735917 51.51107       1.252599  54.28212       1.846424  49.14850       1.704913  3.565315       1.747183  
1 1 1 5   26 2  o 96.31450 1.090418  92.32647       2.089592  87.16792       2.789068  98.92703       3.154887  -6.080330      2.180836  
1 1 1 5   26 3  o 74.96594 0.9008484 56.16406       1.348626  54.30442       1.846857  58.28849       1.973972  -2.650154      1.801697  
1 1 1 5   26 4  o 10.75412 1.241582  1.177175       0.2574530 0.9381183      0.3540359 1.445467       0.3750601 -2.510967      2.483163  
1 1 1 5   26 5  o 27.26519 0.6964650 7.442297       0.3794523 7.483158       0.5265172 7.398139       0.5473418 0.1568584      1.392930  
1 1 1 5   26 6  o 88.54858 1.419695  78.59616       2.511707  81.18719       3.653309  76.27365       3.458843  2.755791       2.839390  
1 1 1 5   26 7  o 36.30729 0.9484066 13.33451       0.6492947 12.81297       1.112789  13.60371       0.7995014 -1.109234      1.896813  
1 1 1 5   26 8  o 56.85251 1.151691  32.07227       1.302599  36.00898       1.966651  28.99543       1.738653  6.149746       2.303382  
1 1 1 5   26 9  o 50.71608 1.116944  25.69525       1.130307  24.53525       1.535934  27.06557       1.669381  -2.484135      2.233888  
1 1 1 5   26 10 o 113.8347 1.570635  128.7251       3.298935  126.4109       3.946961  134.0888       6.008892  -3.148499      3.141271  
1 1 1 5   26 11 o 77.49634 0.9280919 59.80594       1.432174  56.57862       1.919656  63.85721       2.150793  -4.680557      1.856184  
1 1 1 5   26 12 o 67.84654 0.8484652 46.06453       1.150572  45.08262       1.593093  47.13517       1.663500  -1.508072      1.696930  
1 1 1 5   26 13 o 16.33093 0.9401102 2.722438       0.2885842 3.984641       0.4227143 1.620654       0.3949395 7.235778       1.880220  
1 1 1 5   26 14 o 64.52058 0.8270127 41.66311       1.066350  40.91248       1.474017  42.48729       1.544546  -1.215538      1.654025  
1 1 1 5   26 15 o 25.88194 0.7196847 6.498031       0.3646415 4.925142       0.4746315 8.763581       0.5696320 -7.409454      1.439369  
1 1 1 5   26 16 o 30.52420 0.6959100 9.254754       0.4211447 11.14821       0.6240428 7.671149       0.5707024 5.692257       1.391820  
1 1 1 5   26 17 o 58.36584 0.7849585 33.84204       0.9114849 31.51244       1.215323  36.83716       1.378022  -4.549225      1.569917  
1 1 1 5   26 18 o 94.36327 1.082108  89.33917       2.042130  89.95116       2.905096  88.74138       2.871217  0.6372833      2.164216  
1 1 1 5   26 19 o 38.53660 0.6906729 14.87272       0.5321115 15.42184       0.7552494 14.33146       0.7498184 1.414345       1.381346  
1 1 1 5   26 20 o 86.12259 1.007786  74.09727       1.730500  70.79004       2.338850  78.09791       2.572378  -4.217537      2.015572  
1 1 1 5   26 21 f 39.50115 0.6997203 15.56789       0.5516757 14.67065       0.7517732 16.61488       0.8120876 -2.456242      1.399441  
1 1 1 5   26 22 o 32.53291 0.7003129 10.59490       0.4554701 10.17297       0.6363179 11.03822       0.6522413 -1.328501      1.400626  
1 1 1 5   26 23 o 59.15995 0.8013283 35.07225       0.9479666 34.80485       1.326336  35.35149       1.355391  -0.4591293     1.602657  
1 1 1 5   26 24 o 38.67501 0.8014694 15.04467       0.6090628 15.27986       0.7940923 14.70863       0.9492044 0.7545967      1.602939  
1 1 1 5   26 25 o 44.47494 0.8600591 19.88966       0.7609838 20.41594       1.032718  19.26439       1.125667  1.305370       1.720118  
1 1 1 5   26 26 f 8.142267 1.716850  0.6774595      0.2978873 0.6775251      0.4619212 0.6774127      0.3897634 0.1111250      3.433700  
1 1 1 5   26 27 o 36.31947 0.8728576 13.17584       0.6326766 14.19018       0.9314988 12.30719       0.8620152 2.583534       1.745715  
1 1 1 5   26 28 o 38.44693 0.8900014 14.74075       0.6821191 15.98184       1.015847  13.72169       0.9205083 2.926872       1.780003  
1 1 1 5   26 29 o 64.30414 1.012308  40.15884       1.216924  45.38399       2.202147  37.86173       1.460119  5.733685       2.024615  
1 1 1 5   26 30 o 67.53876 1.354212  45.99845       1.828911  44.97567       2.559450  47.06559       2.614365  -1.534645      2.708424  
1 1 1 5   26 31 o 43.18695 1.129659  19.19188       0.9364195 20.47392       1.193203  17.13612       1.510949  3.926277       2.259317  
1 1 1 5   26 32 o 11.74147 1.379879  1.407688       0.3134924 1.704597       0.4595403 1.149234       0.4287499 2.527676       2.759758  
1 1 1 5   26 33 o 18.89881 0.9759517 3.607911       0.3655773 4.180766       0.5187613 3.042753       0.5152651 3.010180       1.951903  
1 1 1 5   26 34 o 51.53244 0.9625438 26.54069       0.9823536 25.65623       1.292282  27.75140       1.511954  -1.991169      1.925088  
1 1 1 5   26 35 f 18.76889 1.073172  3.573306       0.3980753 2.945533       0.5629001 4.201363       0.5630268 -3.345482      2.146344  
1 1 1 5   26 36 o 67.57115 2.369318  46.46874       3.201951  46.46874       3.201951  ?              ?         ?              ?         
1 1 1 5   26 37 o 25.50154 0.9590853 6.502138       0.4876984 7.094858       0.7237419 6.009126       0.6600670 2.115248       1.918171  
1 1 1 5   26 38 o 10.30013 1.617365  1.056688       0.3439876 1.741659       0.5221811 0.5315621      0.4572111 5.623276       3.234729  
1 1 1 5   26 39 o 22.58488 1.007548  5.117613       0.4539708 5.416807       0.6716490 4.865960       0.6159806 1.205372       2.015096  
1 1 1 5   26 40 o 42.05045 0.9536024 17.64671       0.7986676 19.65234       1.194817  16.02672       1.073820  4.282887       1.907205  
1 1 1 5   26 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   27 0  o 53.04010 1.007182  27.87584       1.061839  31.12847       1.614575  25.39682       1.409552  5.388481       2.014363  
1 1 1 5   27 1  o 80.66740 0.9588800 65.06797       1.545291  67.85113       2.251188  62.58804       2.125010  3.253593       1.917760  
1 1 1 5   27 2  o 59.85596 0.9879171 36.05093       1.108505  35.45901       1.933619  36.34069       1.352892  -0.7771339     1.975834  
1 1 1 5   27 3  o 50.35666 1.073831  25.19292       1.076217  23.15104       1.438099  27.79215       1.622538  -4.593719      2.147662  
1 1 1 5   27 4  f 26.58422 1.133160  7.138392       0.5980468 7.782035       0.8243317 6.423164       0.8689641 2.559551       2.266320  
1 1 1 5   27 5  o 35.34310 0.9299107 13.00357       0.5913251 13.71465       0.7083678 11.36905       1.073971  3.343449       1.859821  
1 1 1 5   27 6  f 70.30760 0.8703610 49.49968       1.223657  50.44577       1.749768  48.59412       1.711878  1.314201       1.740722  
1 1 1 5   27 7  o 80.07005 0.9534059 63.88713       1.520374  60.56490       2.040181  68.03641       2.280024  -4.647003      1.906812  
1 1 1 5   27 8  o 25.75709 0.7163782 6.581606       0.3673414 5.951523       0.4926017 7.370930       0.5513460 -2.751881      1.432756  
1 1 1 5   27 9  o 73.86391 0.8971303 54.47817       1.322004  52.18579       1.794410  57.19951       1.955102  -3.381691      1.794261  
1 1 1 5   27 10 o 73.09370 0.8927910 53.25792       1.300246  50.56167       1.749365  56.58609       1.943584  -4.105980      1.785582  
1 1 1 5   27 11 o 76.24640 0.9195195 58.20893       1.401254  56.94939       1.939107  59.58548       2.027170  -1.721397      1.839039  
1 1 1 5   27 12 o 100.9828 1.141672  102.3277       2.305755  102.2653       3.252196  102.3908       3.269532  -0.6025696E-01 2.283343  
1 1 1 5   27 13 o 27.00334 0.7149015 7.303568       0.3857974 7.674791       0.5480390 6.938882       0.5431932 1.362282       1.429803  
1 1 1 5   27 14 o 58.95270 0.7899823 34.72414       0.9300824 36.60555       1.360617  33.07389       1.274293  2.988312       1.579965  
1 1 1 5   27 15 o 51.82893 0.7449957 26.86291       0.7713130 26.06914       1.059719  27.75716       1.124789  -1.623375      1.489991  
1 1 1 5   27 16 o 33.64027 0.6883712 11.19923       0.4603319 10.07113       0.6120121 12.66893       0.6985534 -3.854801      1.376742  
1 1 1 5   27 17 o 88.30110 1.028323  78.22321       1.815916  77.87529       2.550875  78.58070       2.585664  -0.3954926     2.056646  
1 1 1 5   27 18 o 14.31242 0.9946550 2.057061       0.2844331 1.975348       0.4053879 2.136291       0.3991821 -0.5629587     1.989310  
1 1 1 5   27 19 o 42.27599 0.7077580 17.87155       0.5978292 18.98544       0.8648222 16.85212       0.8273391 2.519901       1.415516  
1 1 1 5   27 20 o 21.80613 0.7813384 4.735600       0.3393162 4.175437       0.4615939 5.394155       0.5004944 -2.790642      1.562677  
1 1 1 5   27 21 o 10.13078 1.381047  1.035802       0.2716106 1.558842       0.4112128 0.6310133      0.3617537 4.646436       2.762095  
1 1 1 5   27 22 o 15.53159 0.9532420 2.415683       0.2957427 2.586574       0.4285203 2.260256       0.4086719 1.047945       1.906484  
1 1 1 5   27 23 f 48.87920 0.7508873 23.74868       0.7308074 26.11129       1.098137  21.87049       0.9791095 4.325806       1.501775  
1 1 1 5   27 24 o 22.50573 0.8036264 5.073200       0.3586523 4.224815       0.4951241 6.009799       0.5202285 -3.962772      1.607253  
1 1 1 5   27 25 o 18.36992 0.9116731 3.425170       0.3286986 2.662119       0.4636030 4.196486       0.4661071 -4.175978      1.823346  
1 1 1 5   27 26 o 41.71107 0.7367236 17.40299       0.6138902 16.71122       0.8439062 18.18048       0.8946588 -1.755642      1.473447  
1 1 1 5   27 27 o 20.45139 1.801877  4.792877       0.6319543 2.892529       1.022623  5.966986       0.8038098 -7.800447      3.603753  
1 1 1 5   27 28 o 14.01481 2.172790  2.264211       0.5470720 2.544122       0.6418763 1.520992       1.045925  3.711940       4.345581  
1 1 1 5   27 29 o 22.61588 0.8431509 5.144840       0.3800344 4.650547       0.5375143 5.638896       0.5373853 -2.185095      1.686302  
1 1 1 5   27 30 o 37.68792 0.7626730 14.20943       0.5740780 15.24574       0.8346562 13.27904       0.7908514 2.603233       1.525346  
1 1 1 5   27 31 o 73.09056 1.105745  53.55297       1.550662  53.01046       1.932423  54.53402       2.598612  -0.9052429     2.211489  
1 1 1 5   27 32 f 55.76615 1.041590  31.28726       1.161670  31.19971       1.635192  31.37648       1.650614  -0.1553001     2.083179  
1 1 1 5   27 33 o 45.49005 0.9553456 20.77044       0.8684627 19.97181       1.199242  21.65112       1.259344  -1.834015      1.910691  
1 1 1 5   27 34 o 33.95401 1.170259  11.76610       0.7358632 11.25700       1.302470  12.00479       0.8918388 -1.206100      2.340518  
1 1 1 5   27 35 o 47.39806 0.9789423 22.50619       0.9258747 21.20944       1.258556  24.03585       1.366914  -2.958099      1.957885  
1 1 1 5   27 36 o 26.74813 0.9558089 7.209714       0.5100505 6.631976       0.7217543 7.786067       0.7208873 -2.157520      1.911618  
1 1 1 5   27 37 o 26.00138 0.9421614 6.770441       0.4887424 7.316494       0.7220705 6.308751       0.6639532 1.924131       1.884323  
1 1 1 5   27 38 o 46.04928 0.9788494 21.32745       0.9010936 22.19097       1.294988  20.51688       1.254647  1.808071       1.957699  
1 1 1 5   27 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   28 0  o 40.93620 0.8971688 16.80894       0.6679597 16.83352       0.7942312 16.74955       1.234647  0.1367493      1.794338  
1 1 1 5   28 1  o 73.95209 0.9012045 54.66294       1.330885  57.28181       1.949200  52.37576       1.821585  3.306770       1.802409  
1 1 1 5   28 2  o 43.96815 0.6987013 19.19156       0.6117935 21.51004       0.9148223 17.31571       0.8228766 4.763939       1.397403  
1 1 1 5   28 3  f 44.82902 0.7089309 20.04177       0.6339979 19.03732       0.8599322 21.23795       0.9384169 -2.449383      1.417862  
1 1 1 5   28 4  o 25.11039 0.7352912 6.294679       0.3686867 5.939363       0.5048494 6.700739       0.5396968 -1.513670      1.470582  
1 1 1 5   28 5  o 29.89177 0.6881224 8.941174       0.4110068 8.826468       0.5676647 9.067558       0.5958629 -0.4014225     1.376245  
1 1 1 5   28 6  o 85.84869 1.001940  73.89278       1.720131  74.76109       2.454078  73.05417       2.411740  0.9899902      2.003880  
1 1 1 5   28 7  f 121.9624 1.344556  149.4705       3.279032  151.5951       4.695541  147.4482       4.581079  1.684570       2.689112  
1 1 1 5   28 8  o 98.46921 1.119271  97.30895       2.204136  96.75716       3.096564  97.87566       3.138089  -0.5631638     2.238542  
1 1 1 5   28 9  o 66.93389 0.8490647 44.87363       1.136330  46.01955       1.629071  43.78773       1.585827  1.663345       1.698129  
1 1 1 5   28 10 o 88.52119 1.028947  78.58540       1.821254  77.67668       2.543220  79.54198       2.609336  -1.046440      2.057894  
1 1 1 5   28 11 o 55.53110 0.7640828 30.78699       0.8464997 29.49666       1.149100  32.31810       1.251738  -2.532070      1.528166  
1 1 1 5   28 12 o 77.69864 0.9353268 60.41599       1.451266  58.51906       1.987436  62.58296       2.124181  -2.601204      1.870654  
1 1 1 5   28 13 o 18.08794 0.8555871 3.278409       0.3093810 3.248380       0.4303839 3.310519       0.4450461 -0.1703529     1.711174  
1 1 1 5   28 14 o 73.75422 0.9037954 54.54302       1.333168  54.77782       1.887225  54.30913       1.883549  0.3173523      1.807591  
1 1 1 5   28 15 o 42.09982 0.7094817 17.47547       0.5926161 20.60336       0.9038718 15.11712       0.7848472 6.505592       1.418963  
1 1 1 5   28 16 o 25.48451 0.7319277 6.505099       0.3730052 6.383175       0.5225319 6.631782       0.5326312 -0.4868393     1.463855  
1 1 1 5   28 17 o 37.15502 0.6988528 13.79989       0.5186892 14.75131       0.7522795 12.93771       0.7161295 2.437313       1.397706  
1 1 1 5   28 18 o 39.15068 0.7112175 15.24830       0.5545998 17.29304       0.8214971 13.53590       0.7517773 4.791679       1.422435  
1 1 1 5   28 19 o 24.19250 0.7599847 5.863622       0.3676453 5.758034       0.5137111 5.974481       0.5263781 -0.4460354     1.519969  
1 1 1 5   28 20 o 53.52141 0.7773618 28.60003       0.8304678 30.77360       1.220101  26.72379       1.133584  3.774078       1.554724  
1 1 1 5   28 21 o 29.45093 0.7319441 8.682857       0.4308702 8.302183       0.5987687 9.091659       0.6204970 -1.338039      1.463888  
1 1 1 5   28 22 o 59.86751 0.8169889 35.69275       0.9743472 38.76148       1.459524  33.22564       1.308658  4.605377       1.633978  
1 1 1 5   28 23 o 26.27095 0.7552911 6.905583       0.3963031 7.433788       0.5730059 6.421242       0.5486982 1.924379       1.510582  
1 1 1 5   28 24 o 28.39145 1.440766  8.098998       0.8150138 7.172891       1.115291  9.160312       1.193931  -3.481930      2.881531  
1 1 1 5   28 25 f 34.83401 1.149070  12.35742       0.7513825 12.64956       0.9223267 11.78095       1.295623  1.318974       2.298140  
1 1 1 5   28 26 o 27.39511 0.7733012 7.510815       0.4224390 6.734877       0.5838081 8.363583       0.6120287 -2.968786      1.546602  
1 1 1 5   28 27 o 17.68038 0.9498156 3.091235       0.3313697 3.905174       0.5009430 2.457986       0.4418544 4.082788       1.899631  
1 1 1 5   28 28 o 11.60212 1.364893  1.401676       0.3041613 1.159607       0.4408442 1.621600       0.4201964 -2.174670      2.729786  
1 1 1 5   28 29 o 46.11421 0.8080757 21.26145       0.7388025 20.76064       0.9771151 21.92992       1.128892  -1.244106      1.616151  
1 1 1 5   28 30 o 17.18642 1.060284  2.972467       0.3644427 2.973400       0.5170501 2.971547       0.5137653 0.4699707E-02  2.120569  
1 1 1 5   28 31 o 44.25066 0.8855443 19.73562       0.7801439 21.85882       1.101925  17.60187       1.104660  4.810558       1.771089  
1 1 1 5   28 32 o 24.22874 0.9412634 5.911153       0.4554808 5.649197       0.6509041 6.162508       0.6375962 -1.062090      1.882527  
1 1 1 5   28 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   28 34 o 47.58006 0.9837009 22.78088       0.9360311 22.49743       1.315066  23.07194       1.332604  -0.5996933     1.967402  
1 1 1 5   28 35 f 44.27458 0.9560970 19.72590       0.8465248 19.44532       1.186677  20.01662       1.207940  -0.6400719     1.912194  
1 1 1 5   28 36 o 41.87614 0.9446102 17.56601       0.7893653 18.95914       1.163118  16.37649       1.074771  3.063297       1.889220  
1 1 1 5   28 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   29 0  o 142.5070 1.546761  204.5419       4.408484  204.5817       6.232579  204.5020       6.236500  0.2861023E-01  3.093522  
1 1 1 5   29 1  o 74.26219 0.9057036 55.28536       1.345183  55.35997       1.899976  55.21037       1.904786  0.1011887      1.811407  
1 1 1 5   29 2  o 102.7148 1.158330  105.9301       2.379521  106.4189       3.375852  105.4474       3.354549  0.4702606      2.316661  
1 1 1 5   29 3  o 69.41503 0.8697617 48.08484       1.204430  51.28321       1.782656  45.39858       1.633716  4.224716       1.739523  
1 1 1 5   29 4  o 88.60798 1.033033  78.75493       1.830318  77.93309       2.557557  79.61773       2.620511  -0.9434967     2.066066  
1 1 1 5   29 5  o 64.95152 0.8329085 42.15368       1.080100  44.41007       1.585630  40.20033       1.475312  3.230473       1.665817  
1 1 1 5   29 6  o 94.41208 1.083859  89.46877       2.046508  89.22680       2.879944  89.71560       2.908669  -0.2553482     2.167717  
1 1 1 5   29 7  o 112.9269 1.258108  128.0675       2.839597  131.1835       4.107446  125.2150       3.930020  2.616951       2.516215  
1 1 1 5   29 8  o 121.0865 1.338261  147.4901       3.240905  147.7246       4.586612  147.2562       4.580059  0.1924210      2.676523  
1 1 1 5   29 9  o 38.80450 0.7000430 14.95362       0.5405864 13.82553       0.7217662 16.39503       0.8158613 -3.302937      1.400086  
1 1 1 5   29 10 o 30.60396 0.6961161 9.372449       0.4257603 9.153849       0.5885198 9.612486       0.6167004 -0.7469025     1.392232  
1 1 1 5   29 11 f 51.01527 0.7463197 26.07776       0.7614329 26.41294       1.077596  25.74355       1.076063  0.6559143      1.492639  
1 1 1 5   29 12 o 42.61970 0.7178796 17.93127       0.6073705 20.98423       0.9243059 15.61125       0.8057503 6.292404       1.435759  
1 1 1 5   29 13 o 53.98396 0.7682726 29.19601       0.8292406 28.77425       1.155818  29.64338       1.190392  -0.8014679     1.536545  
1 1 1 5   29 14 o 64.90245 0.8394755 41.99534       1.086006  45.18831       1.619259  39.38488       1.464121  4.453293       1.678951  
1 1 1 5   29 15 o 38.51397 0.7091575 14.86347       0.5457441 14.89706       0.7561743 14.82696       0.7884335 0.9411621E-01  1.418315  
1 1 1 5   29 16 o 61.23765 0.8135752 37.57447       0.9961216 38.66793       1.429502  36.54234       1.388836  1.730953       1.627150  
1 1 1 5   29 17 o 18.48641 0.8777633 3.416655       0.3230594 2.984101       0.4441026 3.902813       0.4708169 -2.481489      1.755527  
1 1 1 5   29 18 o 18.41442 0.8578199 3.406258       0.3154519 3.549390       0.4409136 3.256165       0.4515078 0.7975101      1.715640  
1 1 1 5   29 19 o 22.39939 0.8033279 5.021777       0.3579511 5.773007       0.5188490 4.339488       0.4944693 3.197039       1.606656  
1 1 1 5   29 20 o 46.11319 1.007689  21.66511       0.8420591 20.62366       1.546957  22.10362       1.003802  -1.686234      2.015378  
1 1 1 5   29 21 o 46.32486 1.218254  21.61522       1.128302  22.02532       1.585134  21.19404       1.606398  0.9014778      2.436508  
1 1 1 5   29 22 o 48.85295 1.019100  24.52406       0.9054057 25.33509       1.085874  22.67398       1.640046  2.818359       2.038200  
1 1 1 5   29 23 o 33.18335 0.7344823 11.03359       0.4872831 11.41171       0.6990964 10.67631       0.6795635 1.105560       1.468965  
1 1 1 5   29 24 f 30.51007 0.7505624 9.337078       0.4578756 9.126459       0.6491561 9.545605       0.6459238 -0.6873283     1.501125  
1 1 1 5   29 25 o 19.69627 0.8934569 3.848771       0.3496181 4.512683       0.5259737 3.323230       0.4679641 3.010115       1.786914  
1 1 1 5   29 26 o 43.60073 0.7493467 19.00857       0.6524221 20.35404       0.9534031 17.82364       0.8947187 2.893402       1.498693  
1 1 1 5   29 27 o 35.65665 0.7451298 12.75280       0.5313576 12.89280       0.7548237 12.61528       0.7481273 0.3881721      1.490260  
1 1 1 5   29 28 o 59.68552 0.8903471 35.75573       1.054574  35.54057       1.404641  36.03367       1.596500  -0.3782768     1.780694  
1 1 1 5   29 29 o 7.826813 1.731679  0.5590847      0.3278042 0.9716133      0.4727636 0.1771066      0.4549212 3.515132       3.463358  
1 1 1 5   29 30 o 73.40752 1.245876  54.38199       1.828520  55.37666       2.627613  53.44805       2.546148  1.291260       2.491752  
1 1 1 5   29 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   29 32 o 35.99268 0.9223071 12.94684       0.6618186 11.84619       0.8959085 14.26891       0.9818963 -3.346561      1.844614  
1 1 1 5   29 33 o 11.94150 1.594577  1.487037       0.3704768 1.390713       0.5496930 1.567208       0.5014858 -0.9747868     3.189153  
1 1 1 5   29 34 o 79.44768 1.330280  63.81521       2.111874  62.19497       2.913290  65.60956       3.065827  -2.099419      2.660560  
1 1 1 5   29 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   30 0  o 30.74541 0.8612766 9.364854       0.5221743 8.846268       0.6761160 10.13139       0.8220109 -2.074085      1.722553  
1 1 1 5   30 1  o 108.5255 1.707121  118.8626       3.701622  115.9070       5.099750  122.1536       5.381365  -2.816933      3.414243  
1 1 1 5   30 2  o 88.33057 1.430205  78.58140       2.526151  77.69654       3.531914  79.50815       3.614555  -1.010376      2.860411  
1 1 1 5   30 3  f 108.1791 1.481502  117.5279       3.020982  119.2727       5.250720  116.6645       3.693539  0.9120026      2.963003  
1 1 1 5   30 4  o 41.52015 0.7093802 17.18684       0.5876305 15.91906       0.7992502 18.67845       0.8669407 -3.316692      1.418760  
1 1 1 5   30 5  o 27.38283 0.7257164 7.511273       0.3973644 7.302869       0.5578462 7.725938       0.5661622 -0.7717133     1.451433  
1 1 1 5   30 6  o 51.56719 0.7473404 26.58503       0.7696630 25.51214       1.054515  27.80815       1.125927  -2.219109      1.494681  
1 1 1 5   30 7  o 26.86554 0.7324716 7.196917       0.3925945 6.633181       0.5345028 7.857353       0.5785323 -2.273991      1.464943  
1 1 1 5   30 8  o 109.2957 1.227057  119.9878       2.679443  116.8997       3.689256  123.4352       3.897960  -2.955132      2.454113  
1 1 1 5   30 9  o 45.16482 0.7255808 20.44246       0.6551908 21.11579       0.9286547 19.77512       0.9245184 1.483788       1.451162  
1 1 1 5   30 10 o 41.82190 0.7146024 17.52446       0.5975667 18.07111       0.8491088 16.98805       0.8411216 1.294064       1.429205  
1 1 1 5   30 11 o 58.35921 0.7951903 33.96590       0.9254678 36.54850       1.373771  31.81993       1.252269  4.037731       1.590381  
1 1 1 5   30 12 o 47.08220 0.7404514 22.13140       0.6957497 20.92492       0.9468839 23.54713       1.025715  -2.776337      1.480903  
1 1 1 5   30 13 o 56.15268 0.7862726 31.60706       0.8829059 32.35312       1.256193  30.87872       1.241177  1.311119       1.572545  
1 1 1 5   30 14 o 49.10978 0.7544871 24.16877       0.7408857 24.90736       1.055986  23.45273       1.039744  1.479210       1.508974  
1 1 1 5   30 15 o 31.20649 0.7208275 9.700080       0.4484922 8.953576       0.6065201 10.60072       0.6661999 -2.632692      1.441655  
1 1 1 5   30 16 o 22.92557 0.8152950 5.262694       0.3733320 5.657945       0.5389442 4.898071       0.5176421 1.654564       1.630590  
1 1 1 5   30 17 o 58.87697 1.249285  34.88350       1.469873  34.15144       2.030182  35.69001       2.130903  -1.285927      2.498569  
1 1 1 5   30 18 o 26.44275 1.216195  6.637860       0.5855581 6.122547       0.6854499 8.029521       1.126436  -3.513781      2.432390  
1 1 1 5   30 19 f 6.301122 1.588713  0.2711773      0.2737399 0.5912732      0.3966901 -0.1980959E-01 0.3782231 2.678386       3.177426  
1 1 1 5   30 20 o 38.00930 0.7293473 14.33143       0.5512930 13.02997       0.7337942 16.01798       0.8353288 -3.917564      1.458695  
1 1 1 5   30 21 o 14.09640 1.079870  1.999293       0.3038508 2.164345       0.4333505 1.839673       0.4261597 1.150234       2.159740  
1 1 1 5   30 22 o 20.14492 0.8721114 4.039496       0.3484521 4.849158       0.5171872 3.366446       0.4715412 3.672842       1.744223  
1 1 1 5   30 23 o 35.75472 0.7383356 12.81047       0.5277343 12.33373       0.7343090 13.31974       0.7589593 -1.375347      1.476671  
1 1 1 5   30 24 o 57.65624 0.8165874 33.32903       0.9410824 34.76704       1.356870  31.99612       1.306350  2.394756       1.633175  
1 1 1 5   30 25 o 33.92743 0.7468995 11.54367       0.5067090 11.85240       0.7238045 11.24695       0.7095962 0.8900986      1.493799  
1 1 1 5   30 26 o 58.69967 0.8354972 34.58113       0.9804600 35.50774       1.411668  33.71759       1.362783  1.515808       1.670994  
1 1 1 5   30 27 o 19.32929 0.9576575 3.746388       0.3678791 4.365621       0.5360128 3.194954       0.5058184 3.021854       1.915315  
1 1 1 5   30 28 o 7.194903 1.787611  0.4438863      0.3232977 0.6373082      0.4789430 0.2819777      0.4381938 1.648631       3.575222  
1 1 1 5   30 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   30 30 o 23.43798 0.9848686 5.531422       0.4605585 5.524659       0.6748248 5.537319       0.6301265 -0.3798294E-01 1.969737  
1 1 1 5   30 31 f 27.96396 0.9491845 7.812827       0.5288052 8.799698       0.7843143 6.990318       0.7160288 3.219198       1.898369  
1 1 1 5   30 32 o 19.88382 1.363063  4.015360       0.4951571 3.979651       0.9055023 4.030593       0.5914141 -0.2318497     2.726125  
1 1 1 5   31 0  o 65.29499 0.8423138 42.58880       1.097148  40.54837       1.487896  45.02038       1.624261  -3.408260      1.684628  
1 1 1 5   31 1  o 59.37814 0.8016592 35.29136       0.9509344 34.21441       1.307402  36.50108       1.385656  -1.916630      1.603318  
1 1 1 5   31 2  o 73.65919 0.9103932 54.43693       1.341039  54.34810       1.882371  54.52847       1.910983  -0.1187134     1.820786  
1 1 1 5   31 3  o 59.46088 0.8027872 35.33764       0.9527901 33.76128       1.298344  37.17727       1.402582  -2.860439      1.605574  
1 1 1 5   31 4  o 44.73548 0.7288070 20.04470       0.6517749 20.91436       0.9330611 19.21599       0.9108386 1.895889       1.457614  
1 1 1 5   31 5  o 66.94520 1.034934  43.89212       1.282815  42.15493       1.531752  47.97226       2.347481  -4.223068      2.069868  
1 1 1 5   31 6  o 38.51219 0.9192539 14.88732       0.7078695 15.11424       0.9951550 14.65491       1.007110  0.5979462      1.838508  
1 1 1 5   31 7  f 19.34706 1.038801  3.747901       0.4012991 3.495284       0.5506709 4.033992       0.5860224 -1.386845      2.077601  
1 1 1 5   31 8  o 52.07198 1.007673  27.21101       1.049028  28.24153       1.504605  26.23623       1.463355  1.919376       2.015347  
1 1 1 5   31 9  o 28.29589 0.8317034 7.736350       0.4602768 9.483841       0.7537963 6.697457       0.5812088 4.902082       1.663407  
1 1 1 5   31 10 o 17.34571 0.9635788 3.058589       0.3300916 2.652772       0.4835732 3.412666       0.4516956 -2.195124      1.927158  
1 1 1 5   31 11 o 38.26825 0.7310959 14.67214       0.5589697 15.62997       0.8002878 13.75978       0.7810678 2.441288       1.462192  
1 1 1 5   31 12 o 42.95863 0.9756653 18.70281       0.7628701 18.13377       1.397863  18.94417       0.9103959 -1.020355      1.951331  
1 1 1 5   31 13 o 68.69292 1.318399  47.51422       1.809234  46.14413       2.487852  49.05217       2.635844  -2.083076      2.636799  
1 1 1 5   31 14 o 13.77101 2.030697  2.246518       0.4918914 2.582268       0.5781347 1.366211       0.9361349 4.467550       4.061394  
1 1 1 5   31 15 o 83.02182 0.9990645 69.25639       1.658726  70.26543       2.365375  68.28006       2.326689  1.188873       1.998129  
1 1 1 5   31 16 o 33.84382 0.7372151 11.25882       0.4939461 9.534200       0.6499125 13.61740       0.7600334 -6.018101      1.474430  
1 1 1 5   31 17 o 17.58162 0.9455801 3.109525       0.3300425 3.610983       0.4738630 2.637084       0.4599490 2.767321       1.891160  
1 1 1 5   31 18 o 39.51326 0.7386699 15.66167       0.5835306 15.86054       0.8175179 15.45510       0.8331788 0.5151672      1.477340  
1 1 1 5   31 19 o 53.31489 0.7911652 28.52507       0.8434508 28.77217       1.184297  28.27073       1.201529  0.4728699      1.582330  
1 1 1 5   31 20 o 34.89896 0.7373038 12.22200       0.5143819 12.55364       0.7238930 11.88378       0.7310513 0.9607582      1.474608  
1 1 1 5   31 21 o 9.208128 1.570077  0.8927975      0.2921596 0.6068763      0.4088409 1.191176       0.4176520 -2.945937      3.140155  
1 1 1 5   31 22 o 27.05583 0.7838588 7.330676       0.4235139 7.921343       0.6138383 6.794069       0.5850745 2.078503       1.567718  
1 1 1 5   31 23 o 21.49796 0.8717320 4.622813       0.3738122 5.112951       0.5483185 4.197193       0.5109572 2.122601       1.743464  
1 1 1 5   31 24 o 10.65483 1.474129  1.198990       0.3045871 0.9592252      0.4496939 1.402220       0.4140168 -2.260282      2.948257  
1 1 1 5   31 25 f 33.60025 0.8303426 11.25511       0.5515329 10.81621       0.7208524 11.87480       0.8565543 -1.549980      1.660685  
1 1 1 5   31 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   31 27 o 26.06720 0.9426600 6.773111       0.4891006 7.686951       0.7323347 6.037291       0.6571437 3.146704       1.885320  
1 1 1 5   31 28 o 25.55967 0.9638841 6.472100       0.4885089 7.750351       0.7427258 5.497524       0.6485273 4.384363       1.927768  
1 1 1 5   31 29 o 13.37759 1.737965  1.797363       0.4203923 2.029902       0.7712173 1.699056       0.5014403 0.8532066      3.475930  
1 1 1 5   31 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   32 0  o 43.00005 0.7332523 18.52112       0.6301613 18.15963       0.8720077 18.91626       0.9116809 -0.8750420     1.466505  
1 1 1 5   32 1  o 60.64185 0.8194057 36.55360       0.9888096 40.36102       1.492375  33.57413       1.320180  5.572624       1.638811  
1 1 1 5   32 2  f 11.18237 1.362274  1.281352       0.2978133 1.185503       0.4185462 1.379645       0.4238470 -1.036774      2.724548  
1 1 1 5   32 3  o 56.24944 0.7832441 31.72924       0.8810787 32.25983       1.252477  31.20943       1.239689  0.9320107      1.566488  
1 1 1 5   32 4  o 30.64948 0.7395623 9.399050       0.4512107 10.72803       0.6543521 8.194308       0.6230170 4.129436       1.479125  
1 1 1 5   32 5  o 41.48653 0.7274606 17.23167       0.6027676 16.82270       0.8272534 17.69455       0.8800812 -1.044113      1.454921  
1 1 1 5   32 6  o 21.12875 0.8280863 4.479202       0.3498914 4.390262       0.4931692 4.569343       0.4964899 -0.4233055     1.656173  
1 1 1 5   32 7  o 19.27689 0.9800519 3.655903       0.3735118 4.277089       0.5845824 3.227360       0.4855478 2.705690       1.960104  
1 1 1 5   32 8  o 36.79223 1.178407  13.61385       0.8652674 14.90035       1.246227  12.41645       1.202301  3.366467       2.356814  
1 1 1 5   32 9  o 36.33386 1.190700  13.28635       0.8643770 13.11564       1.192577  13.47528       1.254608  -0.4818916     2.381400  
1 1 1 5   32 10 f 41.90468 0.9853336 17.70036       0.7321494 17.76541       0.8572241 17.52494       1.407656  0.3797951      1.970667  
1 1 1 5   32 11 o 37.61585 0.7298509 14.02035       0.5456544 12.67446       0.7243869 15.78568       0.8296170 -4.121868      1.459702  
1 1 1 5   32 12 o 25.57017 0.8682180 6.474701       0.4319718 6.198904       0.5454578 6.938654       0.7074615 -1.421251      1.736436  
1 1 1 5   32 13 o 57.72240 1.064446  33.38853       1.226337  35.58145       1.805829  31.51164       1.670652  3.498802       2.128892  
1 1 1 5   32 14 o 24.91470 0.9226738 6.231143       0.4594439 6.117193       0.6358448 6.355637       0.6646130 -0.4734745     1.845348  
1 1 1 5   32 15 o 65.98965 1.153680  43.85863       1.522459  44.63382       2.170888  43.10835       2.135706  1.147873       2.307359  
1 1 1 5   32 16 f 25.49134 0.9294257 6.523478       0.4729250 7.107085       0.6799650 5.976635       0.6581998 2.213299       1.858851  
1 1 1 5   32 17 o 30.01350 0.8348798 9.016603       0.4952971 9.219638       0.7647264 8.869888       0.6500700 0.5634060      1.669760  
1 1 1 5   32 18 o 32.39680 0.7511874 10.50905       0.4853809 11.65883       0.7027775 9.460345       0.6711770 3.388041       1.502375  
1 1 1 5   32 19 o 6.834251 1.607722  0.3711665      0.2873797 0.7576628      0.4099700 -0.2213247E-02 0.4029534 3.327298       3.215445  
1 1 1 5   32 20 o 44.83945 0.7641858 20.07784       0.6835851 21.91364       1.008307  18.51640       0.9299155 3.774971       1.528372  
1 1 1 5   32 21 o 14.89557 1.089926  2.235670       0.3244718 2.344132       0.4608631 2.129061       0.4569073 0.7209721      2.179852  
1 1 1 5   32 22 o 39.04828 0.8096427 15.31080       0.6293024 17.36290       0.9050382 13.38992       0.8756262 5.081841       1.619285  
1 1 1 5   32 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   32 24 o 30.70991 0.9174176 9.372545       0.5600068 10.82644       0.8455546 8.236513       0.7474301 4.194174       1.834835  
1 1 1 5   32 25 o 11.07301 1.568612  1.243879       0.3401454 1.585958       0.5188140 0.9859881      0.4504700 2.852903       3.137223  
1 1 1 5   32 26 o 15.80816 1.667836  0.000000       0.000000  ?              ?         2.523106       0.5273084 ?              ?         
1 1 1 5   32 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   33 0  f 30.67316 1.018317  9.843354       0.5636233 10.42603       0.6775711 8.534607       1.015479  3.142265       2.036633  
1 1 1 5   33 1  o 49.15616 1.152305  24.28560       1.131394  23.56836       1.553095  25.09663       1.651502  -1.534119      2.304611  
1 1 1 5   33 2  o 12.79303 1.756817  1.746540       0.3957067 1.573459       0.7415617 1.815443       0.4678883 -1.257648      3.513634  
1 1 1 5   33 3  f 29.44900 1.245508  8.745801       0.7325069 8.823239       1.011567  8.660427       1.062124  0.2878799      2.491016  
1 1 1 5   33 4  o 17.22178 1.481852  2.872559       0.4755110 2.669537       0.5676129 3.350373       0.8707842 -1.894447      2.963703  
1 1 1 5   33 5  o 37.78802 0.7449017 14.23252       0.5597271 16.57208       0.8246295 12.23379       0.7621987 5.731678       1.489803  
1 1 1 5   33 6  o 68.56070 0.8841481 47.19197       1.211830  46.87683       1.686631  47.52827       1.742297  -0.4657822     1.768296  
1 1 1 5   33 7  o 17.58541 0.9516757 3.128542       0.3304859 3.728141       0.4702146 2.543199       0.4645913 3.368091       1.903351  
1 1 1 5   33 8  o 24.07145 0.7975054 5.810772       0.3836978 5.710295       0.5315016 5.920130       0.5544894 -0.4322758     1.595011  
1 1 1 5   33 9  o 38.01027 0.7354622 14.46882       0.5585759 13.98038       0.7697661 15.01206       0.8118001 -1.350979      1.470924  
1 1 1 5   33 10 f 28.83008 0.7597638 8.338602       0.4377422 8.333973       0.6071710 8.343611       0.6316780 -0.1300430E-01 1.519528  
1 1 1 5   33 11 f 6.783310 1.680484  0.3948069      0.2876659 0.5714822      0.4160927 0.2330462      0.3981427 1.587147       3.360968  
1 1 1 5   33 12 o 33.28570 0.7538500 11.01208       0.4994961 9.913842       0.6699126 12.38702       0.7495684 -3.702717      1.507700  
1 1 1 5   33 13 o 52.45289 0.7828673 27.61858       0.8211867 28.01465       1.159555  27.22007       1.163120  0.7580185      1.565735  
1 1 1 5   33 14 o 47.09474 0.7662481 22.25944       0.7215062 22.18511       1.007264  22.33776       1.033988  -0.1575012     1.532496  
1 1 1 5   33 15 o 31.44764 0.7575029 9.918894       0.4762790 9.614461       0.6643115 10.24089       0.6832064 -0.9928074     1.515006  
1 1 1 5   33 16 o 29.26260 0.7734130 8.595909       0.4524664 8.900775       0.6416630 8.294401       0.6381199 1.035486       1.546826  
1 1 1 5   33 17 o 50.47006 1.064913  25.72781       0.9703580 25.48539       1.811637  25.82535       1.149093  -0.4909058     2.129826  
1 1 1 5   33 18 o 38.58391 1.318502  15.05665       1.015362  15.06743       1.392461  15.04440       1.483760  0.5758286E-01  2.637003  
1 1 1 5   33 19 f 18.72878 1.055154  3.499798       0.3927280 3.245339       0.5208341 3.835143       0.5979120 -1.555172      2.110308  
1 1 1 5   33 20 o 79.03909 1.324219  63.24316       2.093233  63.95563       2.970747  62.54065       2.949919  0.8882217      2.648438  
1 1 1 5   33 21 o 19.34752 1.071447  3.741555       0.4110877 4.496668       0.6100820 3.113580       0.5563567 3.559990       2.142895  
1 1 1 5   33 22 o 43.30804 0.9532824 18.86916       0.8256006 19.18044       1.178266  18.56892       1.157170  0.7010994      1.906565  
1 1 1 5   33 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   34 0  o 24.05766 0.8470708 5.823445       0.4065413 6.014729       0.5612943 5.612365       0.5896238 0.8411713      1.694142  
1 1 1 5   34 1  o 81.69868 0.9889114 66.88834       1.611665  63.97337       2.185814  70.36100       2.385767  -3.868324      1.977823  
1 1 1 5   34 2  o 27.15205 0.7869352 7.378645       0.4267358 6.933860       0.5862303 7.879979       0.6223818 -1.736309      1.573870  
1 1 1 5   34 3  o 15.37593 1.091280  2.375652       0.3344969 2.119559       0.4620182 2.657753       0.4849118 -1.744823      2.182561  
1 1 1 5   34 4  o 29.70477 0.7809967 8.754091       0.4612219 7.688045       0.6166336 10.10788       0.6948881 -4.059923      1.561993  
1 1 1 5   34 5  o 73.14323 0.9190190 53.69807       1.343173  55.71124       1.951257  51.88507       1.851716  2.595360       1.838038  
1 1 1 5   34 6  o 5.826282 1.582005  0.8885872E-01  0.2945119 -0.3349419     0.4176678 0.5079633      0.4153473 -2.874705      3.164010  
1 1 1 5   34 7  o 14.82707 1.105143  2.219246       0.3266168 2.438332       0.4634160 2.002991       0.4604104 1.467320       2.210286  
1 1 1 5   34 8  f 42.05218 0.7463321 17.74537       0.6276395 18.07630       0.8901284 17.41814       0.8851252 0.7817230      1.492664  
1 1 1 5   34 9  f 22.69824 0.8642607 5.163202       0.3913223 4.662531       0.5401309 5.716339       0.5677265 -2.316095      1.728521  
1 1 1 5   34 10 f 48.33292 0.7659383 23.34238       0.7387494 25.35609       1.086588  21.61149       1.007399  3.860344       1.531877  
1 1 1 5   34 11 o 72.11267 0.9177312 52.23173       1.322647  51.07443       1.829080  53.50013       1.914878  -1.664223      1.835462  
1 1 1 5   34 12 o 26.81492 0.7913351 7.216693       0.4243090 7.058384       0.5932896 7.382446       0.6070750 -0.6017628     1.582670  
1 1 1 5   34 13 o 58.38687 0.8271283 34.07897       0.9630756 32.13999       1.302767  36.41553       1.430111  -3.636795      1.654257  
1 1 1 5   34 14 o 25.72638 0.8119460 6.635502       0.4173125 6.382230       0.5739977 6.919474       0.6077890 -1.037554      1.623892  
1 1 1 5   34 15 o 53.72698 0.8094972 28.73552       0.8652962 26.48055       1.153904  31.63276       1.307948  -4.763695      1.618994  
1 1 1 5   34 16 f 53.98855 0.8136781 29.25819       0.8778993 28.64052       1.213160  29.93723       1.272003  -1.188847      1.627356  
1 1 1 5   34 17 o 11.17279 1.566696  1.304862       0.3426623 1.079759       0.4887208 1.522526       0.4805773 -2.169175      3.133391  
1 1 1 5   34 18 o 14.70560 1.266160  2.176708       0.3715141 2.382677       0.5457281 1.998803       0.5071868 1.293259       2.532319  
1 1 1 5   34 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   35 0  o 49.36437 0.7802153 24.39473       0.7691780 26.11779       1.121699  22.86537       1.056766  3.282684       1.560431  
1 1 1 5   35 1  o 46.92222 0.7674589 22.01963       0.7186946 20.86722       0.9782625 23.37099       1.059349  -2.653667      1.534918  
1 1 1 5   35 2  o 51.20712 0.7814921 26.32950       0.8002618 26.70450       1.129128  25.95102       1.134373  0.7366753      1.562984  
1 1 1 5   35 3  o 46.36545 0.7628167 21.41950       0.7043917 19.86245       0.9447172 23.36880       1.057040  -3.761250      1.525633  
1 1 1 5   35 4  o 60.40705 0.8310181 36.59573       1.003140  38.39819       1.453727  34.95731       1.386003  2.834850       1.662036  
1 1 1 5   35 5  o 23.07748 0.8542734 5.355459       0.3935843 5.757518       0.5592358 4.960857       0.5540253 1.725002       1.708547  
1 1 1 5   35 6  o 43.84529 0.7491906 19.29241       0.6567763 19.08546       0.9158784 19.51147       0.9423303 -0.4810219     1.498381  
1 1 1 5   35 7  o 43.10188 0.7560212 18.65567       0.6515805 18.96819       0.9177042 18.33796       0.9252904 0.7325058      1.512042  
1 1 1 5   35 8  o 29.54447 0.7794235 8.730742       0.4592760 7.882779       0.6293567 9.696765       0.6717419 -3.061646      1.558847  
1 1 1 5   35 9  o 15.68045 1.056159  2.474264       0.3294945 2.144174       0.4555371 2.836443       0.4771662 -2.201687      2.112318  
1 1 1 5   35 10 o 36.44028 0.7448339 13.26683       0.5414660 12.40768       0.7348410 14.28743       0.8009156 -2.566925      1.489668  
1 1 1 5   35 11 o 36.70824 0.7503843 13.41095       0.5484567 12.24149       0.7352496 14.87799       0.8235008 -3.574898      1.500769  
1 1 1 5   35 12 o 31.72455 0.8590773 9.769752       0.5315652 11.68222       0.8779443 8.662910       0.6679035 4.714449       1.718155  
1 1 1 5   35 13 o 7.180722 1.828362  0.4471673      0.3365923 0.3741654      0.4937976 0.5105240      0.4600220 -0.4354615     3.656724  
1 1 1 5   35 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   36 0  o 40.96192 0.9819261 16.78957       0.8016807 15.68798       1.080512  18.13858       1.195716  -2.963570      1.963852  
1 1 1 5   36 1  o 100.8377 1.631332  103.5636       3.289970  103.5061       4.643578  103.6215       4.661918  -0.4989624E-01 3.262663  
1 1 1 5   36 2  o 26.20388 1.041466  6.876110       0.5438929 6.163211       0.7392967 7.717178       0.8030084 -2.948772      2.082932  
1 1 1 5   36 3  o 64.78188 1.677449  0.000000       0.000000  ?              ?         42.38248       2.173366  ?              ?         
1 1 1 5   36 4  o 28.62153 1.481670  0.000000       0.000000  ?              ?         8.255848       0.8481529 ?              ?         
1 1 1 5   36 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 5   36 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   0  0  o 19.36950 0.5798253 3.768639       0.2235647 3.986702       0.3210101 3.563254       0.3115390 -0.000000      0.000000  
1 1 1 6   0  1  o 40.42405 0.7475126 16.36872       0.6033071 16.68722       0.8640887 16.06578       0.8427225 -0.000000      0.000000  
1 1 1 6   0  2  o 223.8253 3.312585  501.7488       14.80955  495.4644       20.63500  508.4241       21.26704  -0.000000      0.000000  
1 1 1 6   0  3  o 31.53329 0.6765628 9.971581       0.4257974 10.02300       0.6001188 9.919452       0.6042393 -0.000000      0.000000  
1 1 1 6   0  4  o 50.31149 0.8721307 25.35109       0.8761745 25.69624       1.256124  25.02404       1.222746  -0.000000      0.000000  
1 1 1 6   0  5  o 272.4337 4.018738  743.5382       21.87158  734.4769       30.57909  753.0291       31.29554  -0.000000      0.000000  
1 1 1 6   0  6  o 366.3279 5.439312  1345.352       39.81227  1347.101       56.31327  1343.604       56.29284  -0.000000      0.000000  
1 1 1 6   0  7  o 231.6766 3.427836  537.6509       15.86730  535.4321       22.37155  539.8970       22.50858  -0.000000      0.000000  
1 1 1 6   0  8  o 441.4690 6.528669  1948.244       57.46342  2037.287       84.70719  1872.333       78.21195  -0.000000      0.000000  
1 1 1 6   0  9  o 73.54955 1.175228  54.17544       1.726690  53.75296       2.426203  54.60903       2.457921  -0.000000      0.000000  
1 1 1 6   0  10 o 377.6297 5.553883  1426.481       41.84331  1473.450       61.21189  1385.282       57.32948  -0.000000      0.000000  
1 1 1 6   0  11 o 127.1194 1.928110  157.9506       4.802970  181.3837       7.759232  143.3946       6.115390  -0.000000      0.000000  
1 1 1 6   0  12 o 541.1014 7.951320  2905.858       85.17703  2723.865       111.7873  3157.778       131.5214  -0.000000      0.000000  
1 1 1 6   0  13 o 193.1639 2.866455  373.6182       11.06096  369.6513       15.46358  377.7742       15.82791  -0.000000      0.000000  
1 1 1 6   0  14 o 643.4734 9.469175  4149.758       121.5555  4036.991       166.4644  4278.575       177.9173  -0.000000      0.000000  
1 1 1 6   0  15 o 259.7813 3.846213  660.3701       19.56442  753.2547       31.67309  603.0651       24.87799  -0.000000      0.000000  
1 1 1 6   0  16 f 181.5138 3.830393  330.5202       13.87777  329.2768       19.54836  331.7836       19.70485  -0.000000      0.000000  
1 1 1 6   0  17 o 180.8968 3.806916  327.7688       13.75960  327.7688       13.75960  327.7688       13.75960  -0.000000      0.000000  
1 1 1 6   0  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   0  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   0  20 f 349.7025 7.282395  1226.600       50.88422  1226.600       50.88422  1226.600       50.88422  -0.000000      0.000000  
1 1 1 6   0  21 o 142.0508 2.137930  202.0135       6.065093  198.5425       8.427910  205.7421       8.735004  -0.000000      0.000000  
1 1 1 6   0  22 f 152.5213 2.289237  232.6317       6.965901  240.3179       10.18790  225.8836       9.545944  -0.000000      0.000000  
1 1 1 6   0  23 o 121.8940 1.857798  148.0753       4.505475  141.0172       6.048458  156.8734       6.753011  -0.000000      0.000000  
1 1 1 6   0  24 o 319.6769 4.716610  1024.971       30.10427  1047.475       43.58762  1004.445       41.62770  -0.000000      0.000000  
1 1 1 6   0  25 o 181.3983 2.704129  329.7383       9.800319  327.8733       13.77947  331.6474       13.94144  -0.000000      0.000000  
1 1 1 6   0  26 o 44.11083 1.103226  20.02364       0.9377375 21.85117       1.216554  17.34814       1.471977  -0.000000      0.000000  
1 1 1 6   0  27 o 285.6387 4.220503  818.7973       24.08689  821.2618       34.18679  816.3679       33.94255  -0.000000      0.000000  
1 1 1 6   0  28 o 27.20183 0.8594627 7.440453       0.4653694 7.145117       0.6506173 7.749839       0.6659126 -0.000000      0.000000  
1 1 1 6   0  29 o 89.57396 1.421286  80.22598       2.539752  77.63624       3.481274  83.17271       3.713464  -0.000000      0.000000  
1 1 1 6   0  30 o 27.61916 0.8819376 7.692052       0.4839322 7.226556       0.6915461 8.138749       0.6774390 -0.000000      0.000000  
1 1 1 6   0  31 f 143.5240 2.169916  206.4457       6.222032  204.9971       8.744705  207.9311       8.854895  -0.000000      0.000000  
1 1 1 6   0  32 o 67.85725 1.152981  46.06849       1.560823  47.50288       2.276506  44.79609       2.144113  -0.000000      0.000000  
1 1 1 6   0  33 o 57.34473 1.043282  32.56271       1.185376  36.08980       1.821148  29.96995       1.561414  -0.000000      0.000000  
1 1 1 6   0  34 o 29.02762 0.9077523 8.453887       0.5224255 7.415521       0.7195200 9.611657       0.7597641 -0.000000      0.000000  
1 1 1 6   0  35 o 128.5175 1.966060  165.2301       5.037981  171.8772       7.413818  159.5272       6.867109  -0.000000      0.000000  
1 1 1 6   0  36 o 68.67587 1.171474  47.26834       1.606613  47.62338       2.299640  46.92981       2.245515  -0.000000      0.000000  
1 1 1 6   0  37 o 231.4115 3.451215  538.9561       15.94413  527.1538       22.02086  551.9612       23.11579  -0.000000      0.000000  
1 1 1 6   0  38 o 106.0151 1.657288  112.1678       3.495303  118.8344       5.240278  106.8248       4.691358  -0.000000      0.000000  
1 1 1 6   0  39 o 44.28344 0.9419963 19.64293       0.8316277 20.30280       1.212756  19.05721       1.142577  -0.000000      0.000000  
1 1 1 6   0  40 o 39.86971 0.9260000 15.91726       0.7353212 14.66989       1.014216  17.29951       1.067642  -0.000000      0.000000  
1 1 1 6   0  41 o 46.31540 0.9690579 21.52961       0.8956565 21.10688       1.272703  21.94439       1.260681  -0.000000      0.000000  
1 1 1 6   0  42 f 8.349013 2.015230  0.9761736      0.3704415 0.3573713      0.5626507 1.449644       0.4921633 -0.000000      0.000000  
1 1 1 6   0  43 f 92.09897 1.486707  85.12716       2.735043  84.07298       3.835277  86.21803       3.901440  -0.000000      0.000000  
1 1 1 6   0  44 o 16.12919 1.377221  2.733905       0.4273985 2.623121       0.6508058 2.817918       0.5667418 -0.000000      0.000000  
1 1 1 6   0  45 o 43.41359 0.9916788 18.93584       0.8586905 18.29326       1.214256  19.57866       1.214488  -0.000000      0.000000  
1 1 1 6   0  46 o 37.36174 0.9835563 14.06296       0.7312914 13.27884       1.044812  14.81602       1.023909  -0.000000      0.000000  
1 1 1 6   0  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   0  48 o 72.37412 2.477605  52.84592       3.577085  52.84592       3.577085  52.84592       3.577085  -0.000000      0.000000  
1 1 1 6   0  49 o 9.211532 2.463016  1.110684       0.4295407 1.506865       0.6762149 0.8426942      0.5561572 -0.000000      0.000000  
1 1 1 6   0  50 o 32.38595 1.052517  10.63293       0.6749586 9.730061       0.9754224 11.46240       0.9349358 -0.000000      0.000000  
1 1 1 6   0  51 f 44.01406 1.043106  19.52315       0.9139836 18.46802       1.310022  20.52387       1.275794  -0.000000      0.000000  
1 1 1 6   0  52 o 91.80670 1.522915  84.90660       2.792450  84.63351       3.979511  85.17151       3.919416  -0.000000      0.000000  
1 1 1 6   0  53 o 70.97054 1.282836  50.62433       1.817208  48.43213       2.528429  52.96656       2.613523  -0.000000      0.000000  
1 1 1 6   0  54 o 65.82429 1.245783  43.62298       1.636293  43.06206       2.349654  44.15117       2.280049  -0.000000      0.000000  
1 1 1 6   0  55 o 4.621159 2.116090  -0.3293535E-01 0.4656939 -0.4250330     0.7167065 0.2535717      0.6126492 -0.000000      0.000000  
1 1 1 6   0  56 o 43.31319 1.139829  18.98926       0.9783159 18.12850       1.446194  19.71551       1.328395  -0.000000      0.000000  
1 1 1 6   0  57 o 8.801737 2.169834  1.060015       0.5182902 -0.2730682     0.8264914 1.924023       0.6653778 -0.000000      0.000000  
1 1 1 6   0  58 o 6.578842 2.662791  0.5827645      0.5327232 0.6305101      0.8643604 0.5535195      0.6764780 -0.000000      0.000000  
1 1 1 6   1  0  o 144.4971 1.528234  206.8118       4.380523  224.2613       6.729176  193.9793       5.770683  10.47293       3.056469  
1 1 1 6   1  1  o 175.9376 1.844252  307.5542       6.451948  328.4229       9.773068  291.4326       8.589875  10.50424       3.688503  
1 1 1 6   1  2  o 148.7179 1.567334  220.9244       4.656499  227.2600       6.782259  215.2748       6.404531  4.027298       3.134669  
1 1 1 6   1  3  o 192.8853 2.018312  371.7723       7.778203  363.1979       10.71645  381.3185       11.30741  -4.692932      4.036625  
1 1 1 6   1  4  o 212.5740 2.223201  451.8946       9.448494  459.2662       13.58321  444.9839       13.15162  3.356033       4.446402  
1 1 1 6   1  5  f 419.1941 4.366329  1723.721       35.94950  1580.694       45.94360  1949.567       57.73276  -43.83228      8.732658  
1 1 1 6   1  6  o 377.9540 3.926696  1406.166       29.24349  1566.885       46.34636  1299.851       37.69455  35.23074       7.853391  
1 1 1 6   1  7  o 294.4756 3.064997  866.6646       18.03457  844.9070       24.86598  890.8106       26.19537  -7.784454      6.129993  
1 1 1 6   1  8  f 453.7088 5.133651  2049.274       45.70203  2000.033       58.83295  2124.201       72.57345  -13.54034      10.26730  
1 1 1 6   1  9  o 524.5101 5.439935  2743.819       56.85627  2629.261       76.58959  2884.448       84.85852  -24.24292      10.87987  
1 1 1 6   1  10 o 434.4293 4.547499  1888.033       39.48507  1856.482       54.67695  1922.421       57.08127  -7.569214      9.094997  
1 1 1 6   1  11 o 228.5362 2.394403  522.3425       10.94112  526.7233       15.68540  518.1913       15.26916  1.864761       4.788806  
1 1 1 6   1  12 o 36.20022 0.6049961 13.10593       0.4379241 12.76453       0.6182945 13.44959       0.6203471 -0.9462051     1.209992  
1 1 1 6   1  13 o 256.7789 2.676133  657.8823       13.71120  683.8107       20.23380  635.8666       18.64467  9.327164       5.352266  
1 1 1 6   1  14 o 146.2612 1.857910  217.2685       5.330600  193.8761       8.111788  235.0480       7.071951  -14.07880      3.715820  
1 1 1 6   1  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   1  16 o 172.8820 2.572315  297.8520       8.864783  312.9041       13.19467  285.4680       11.96826  7.926636       5.144631  
1 1 1 6   1  17 o 333.9482 4.909007  1117.041       32.77671  1102.127       45.67215  1132.880       47.06581  -4.584259      9.818013  
1 1 1 6   1  18 o 163.8330 2.084090  272.4040       6.645025  287.3333       8.605047  250.3493       10.45883  11.29996       4.168180  
1 1 1 6   1  19 o 430.5089 4.473689  1855.615       38.48479  1900.400       55.85449  1815.136       53.10125  9.854126       8.947378  
1 1 1 6   1  20 f 225.2511 2.873455  510.1591       12.29846  515.1813       15.22314  500.7220       20.86791  3.283356       5.746910  
1 1 1 6   1  21 o 270.2293 3.984630  730.5214       21.49848  708.7885       29.39478  755.5161       31.52360  -8.601257      7.969261  
1 1 1 6   1  22 o 170.3063 2.543659  289.7080       8.647542  300.5126       12.70770  280.3895       11.80147  5.893967       5.087318  
1 1 1 6   1  23 o 37.99649 0.7005028 14.00862       0.4935560 15.57777       0.9043717 13.34303       0.5890030 2.939152       1.401006  
1 1 1 6   1  24 f 180.2262 1.896268  324.3512       6.821924  336.2773       10.02738  314.0748       9.308044  6.148590       3.792536  
1 1 1 6   1  25 o 275.2705 2.870325  759.0855       15.80180  755.5053       22.23918  762.7359       22.45664  -1.308472      5.740650  
1 1 1 6   1  26 o 234.5936 2.454863  549.6971       11.49173  571.2057       16.94673  531.3875       15.63584  8.460068       4.909727  
1 1 1 6   1  27 o 207.3370 2.174478  430.2010       9.013307  423.6488       12.53410  437.2176       12.97058  -3.263596      4.348956  
1 1 1 6   1  28 o 296.4840 3.091194  880.5885       18.31589  899.8663       26.52601  863.0222       25.32113  6.177124       6.182389  
1 1 1 6   1  29 o 111.4395 1.212210  124.1325       2.699828  127.0297       3.908107  121.4877       3.734101  2.484291       2.424420  
1 1 1 6   1  30 o 181.3923 1.911842  329.3363       6.934187  325.3615       9.679557  333.5266       9.938409  -2.244858      3.823683  
1 1 1 6   1  31 o 90.36243 1.015404  81.31292       1.828959  86.10872       2.724937  77.38115       2.467289  4.825584       2.030809  
1 1 1 6   1  32 o 92.58403 1.035296  85.42369       1.911329  89.95200       2.838535  81.66751       2.585240  4.469826       2.070592  
1 1 1 6   1  33 o 121.0198 1.310594  146.5808       3.171975  145.5750       4.456954  147.6132       4.515316  -0.8406372     2.621188  
1 1 1 6   1  34 o 208.4688 2.192398  435.8340       9.138992  430.9406       12.76789  440.9751       13.08699  -2.390701      4.384797  
1 1 1 6   1  35 o 108.8982 1.193373  117.8621       2.584267  111.2147       3.440360  126.4696       3.914855  -6.988663      2.386746  
1 1 1 6   1  36 o 84.01100 0.9593894 70.60384       1.611390  69.41735       2.242237  71.87112       2.317316  -1.458023      1.918779  
1 1 1 6   1  37 o 61.50426 0.7699308 37.03373       0.9335787 42.70604       1.480446  33.28884       1.202906  7.647915       1.539862  
1 1 1 6   1  38 f 68.39334 0.8281044 46.78510       1.132259  45.76283       1.573549  47.88268       1.630480  -1.547653      1.656209  
1 1 1 6   1  39 o 68.77036 0.8317147 47.22061       1.141953  49.25539       1.676227  45.45831       1.559964  2.756081       1.663429  
1 1 1 6   1  40 o 88.95274 1.012588  79.24316       1.801374  79.71632       2.561840  78.78043       2.533451  0.5245361      2.025176  
1 1 1 6   1  41 f 51.10829 0.7092882 26.12716       0.7247328 26.65027       1.042652  25.63818       1.008076  0.9887352      1.418576  
1 1 1 6   1  42 o 29.20044 0.6747241 8.536050       0.3939506 8.353726       0.5585889 8.716481       0.5556833 -0.6212788     1.349448  
1 1 1 6   1  43 o 74.49928 1.258685  55.53360       1.872499  58.24986       2.743483  53.16475       2.562046  3.396629       2.517369  
1 1 1 6   1  44 o 77.87160 1.312387  60.83702       2.041974  61.90493       2.963859  59.87211       2.817288  1.289330       2.624774  
1 1 1 6   1  45 o 52.86244 1.056828  27.98576       1.114984  28.62592       1.638227  27.43333       1.521847  1.116581       2.113657  
1 1 1 6   1  46 o 48.98389 1.025464  23.45469       0.9915792 20.05017       1.285588  28.45453       1.557943  -8.549480      2.050929  
1 1 1 6   1  47 o 24.16189 0.7824100 5.773509       0.3744279 7.046160       0.5629315 4.763744       0.5014306 4.717770       1.564820  
1 1 1 6   1  48 o 14.70452 1.206267  2.071116       0.3463058 1.654475       0.4383592 2.762881       0.5648435 -3.749862      2.412534  
1 1 1 6   1  49 o 48.90378 1.053646  24.04106       1.028726  24.46513       1.420787  23.57376       1.491461  0.9214249      2.107293  
1 1 1 6   1  50 o 14.19764 1.257817  2.039519       0.3537471 1.941500       0.5310417 2.117711       0.4743008 -0.6307707     2.515634  
1 1 1 6   1  51 o 14.17556 1.228711  2.051998       0.3384707 1.482728       0.4739308 2.644621       0.4835540 -4.096490      2.457422  
1 1 1 6   1  52 o 59.84518 0.8191063 35.93225       0.9803845 36.11889       1.388766  35.74684       1.384192  0.3101921      1.638213  
1 1 1 6   1  53 o 23.82752 0.8543671 5.690498       0.4067695 5.361578       0.5646921 6.045243       0.5864421 -1.431318      1.708734  
1 1 1 6   1  54 f 35.57014 0.7683078 12.63696       0.5453451 11.67092       0.7439941 13.75867       0.8017042 -2.926086      1.536616  
1 1 1 6   1  55 o 7.076555 1.655697  0.2712670      0.3384498 -0.3784131     0.4739404 0.9473721      0.4834829 -4.799692      3.311394  
1 1 1 6   1  56 o 14.38021 1.358878  2.095407       0.3879174 2.427664       0.5560113 1.780299       0.5414737 2.246566       2.717757  
1 1 1 6   1  57 o 26.11745 0.9088122 6.849022       0.4741748 6.406657       0.6580157 7.326878       0.6839021 -1.756107      1.817624  
1 1 1 6   1  58 o 12.63789 1.581322  1.666145       0.3866138 1.358073       0.5467989 1.974117       0.5467100 -2.639624      3.162644  
1 1 1 6   2  0  o 89.92140 0.9807895 79.95457       1.748262  74.46342       2.295793  87.53426       2.697282  -7.266457      1.961579  
1 1 1 6   2  1  f 349.9609 3.659297  1220.271       25.50736  1291.997       38.20615  1162.593       34.26114  18.43500       7.318594  
1 1 1 6   2  2  o 348.2827 3.620662  1214.536       25.21786  1207.177       35.37750  1222.137       35.95642  -2.140198      7.241324  
1 1 1 6   2  3  o 58.42709 0.6846552 34.12299       0.7997321 33.60777       1.112427  34.67411       1.150519  -0.9124489     1.369310  
1 1 1 6   2  4  o 351.8036 3.672976  1235.303       25.78298  1185.063       35.04156  1294.608       38.07195  -15.53204      7.345951  
1 1 1 6   2  5  o 327.6532 3.407761  1071.677       22.27526  1114.331       32.91667  1035.641       30.25528  11.98087       6.815522  
1 1 1 6   2  6  o 175.7418 1.847867  305.4329       6.429265  332.7202       9.972016  286.0212       8.410757  13.27875       3.695735  
1 1 1 6   2  7  o 94.43614 1.030970  87.68256       1.920708  80.68757       2.482540  98.11366       3.031571  -9.225136      2.061939  
1 1 1 6   2  8  o 374.9120 3.891450  1404.843       29.14528  1369.346       40.08035  1444.677       42.45760  -10.02856      7.782899  
1 1 1 6   2  9  o 469.8891 4.891506  2179.694       45.37743  2398.284       71.28242  2030.756       58.83961  38.99655       9.783012  
1 1 1 6   2  10 o 659.6913 6.864225  4349.271       90.29272  4201.286       122.2263  4527.048       133.9661  -24.54169      13.72845  
1 1 1 6   2  11 o 505.0511 6.468681  2527.149       60.44857  2633.856       109.5998  2480.499       72.46735  14.72720       12.93736  
1 1 1 6   2  12 o 495.1382 7.268888  2441.781       71.54928  2313.497       95.16058  2608.621       108.5230  -29.61084      14.53778  
1 1 1 6   2  13 o 361.4498 5.308949  1308.153       38.36833  1291.984       53.53327  1325.232       55.01927  -4.583344      10.61790  
1 1 1 6   2  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   2  15 o 73.32828 1.088982  53.09189       1.542059  51.26025       1.927441  56.34939       2.570412  -3.468437      2.177963  
1 1 1 6   2  16 o 413.5356 4.298356  1712.491       35.54904  1709.123       50.02854  1715.925       50.52297  -0.8168030     8.596711  
1 1 1 6   2  17 o 104.6953 1.633228  100.4555       3.180164  86.69574       3.756446  135.2675       5.974968  -23.18571      3.266456  
1 1 1 6   2  18 o 191.5269 2.007556  366.8576       7.688014  371.6956       11.02439  362.2773       10.72671  2.456680       4.015111  
1 1 1 6   2  19 o 390.8171 4.057470  1530.011       31.70971  1544.814       45.32059  1515.815       44.38272  3.694611       8.114940  
1 1 1 6   2  20 o 186.3380 1.956608  346.6465       7.278697  335.6558       9.942520  359.3394       10.68478  -6.348160      3.913216  
1 1 1 6   2  21 f 271.1259 2.824577  735.5662       15.30886  723.3351       21.25676  748.7462       22.06589  -4.673920      5.649155  
1 1 1 6   2  22 o 252.6379 2.636912  638.9312       13.32147  633.3954       18.63989  644.7104       19.04545  -2.232727      5.273823  
1 1 1 6   2  23 o 189.0224 2.449890  353.3862       8.573335  346.4632       10.27965  369.2045       15.53847  -5.922043      4.899780  
1 1 1 6   2  24 o 95.16344 1.480164  90.00989       2.802447  85.14295       3.740270  96.23936       4.231564  -5.824310      2.960329  
1 1 1 6   2  25 o 140.0169 2.107533  195.9007       5.893323  190.3163       8.078908  202.2520       8.615813  -4.253448      4.215066  
1 1 1 6   2  26 o 99.18671 1.348280  96.01756       2.441808  104.2913       4.576431  92.72465       2.887113  5.811859       2.696561  
1 1 1 6   2  27 o 198.3749 2.083289  393.8877       8.264075  398.0584       11.81699  389.8953       11.56153  2.052658       4.166579  
1 1 1 6   2  28 o 67.98726 0.8073716 46.22396       1.097675  45.81378       1.537490  46.65038       1.567644  -0.6150131     1.614743  
1 1 1 6   2  29 o 43.46814 0.6376694 18.63973       0.5503863 16.71781       0.7276253 21.21000       0.8414500 -5.166435      1.275339  
1 1 1 6   2  30 o 48.57394 0.6685289 23.37169       0.6458908 25.79840       0.9781208 21.49535       0.8600776 4.428440       1.337058  
1 1 1 6   2  31 o 37.57226 0.6313798 13.78886       0.4688531 11.65694       0.6120439 16.81677       0.7294065 -6.865486      1.262760  
1 1 1 6   2  32 o 144.5414 1.542028  208.5491       4.447198  217.5086       6.565933  200.9552       6.044900  5.713150       3.084056  
1 1 1 6   2  33 f 103.2732 1.137990  106.5924       2.348121  109.6570       3.414236  103.8420       3.234535  2.811378       2.275980  
1 1 1 6   2  34 o 111.3218 1.216085  123.6918       2.701365  119.1219       3.674044  129.0695       3.985555  -4.459183      2.432170  
1 1 1 6   2  35 f 92.20992 1.035288  85.05695       1.908541  83.65636       2.654990  86.55460       2.745453  -1.568916      2.070575  
1 1 1 6   2  36 o 39.24471 0.6387025 14.95290       0.4937797 12.64964       0.6364022 18.43686       0.7827026 -7.370148      1.277405  
1 1 1 6   2  37 o 188.7732 1.996890  357.8398       7.538892  359.6004       10.71828  356.1158       10.60582  0.9145203      3.993780  
1 1 1 6   2  38 o 62.83972 0.7833300 39.26753       0.9804631 42.26205       1.470019  36.86794       1.315913  4.286564       1.566660  
1 1 1 6   2  39 o 70.13786 0.8444477 49.22453       1.184293  50.00187       1.696771  48.48610       1.653745  1.078812       1.688895  
1 1 1 6   2  40 o 116.7838 1.277159  136.2965       2.975694  131.0352       4.041169  142.5279       4.397967  -4.896126      2.554318  
1 1 1 6   2  41 o 43.02164 0.6725985 18.50054       0.5783750 17.86662       0.8013639 19.18980       0.8356016 -1.536476      1.345197  
1 1 1 6   2  42 o 68.92427 0.8432585 47.50097       1.161255  49.09994       1.688986  46.06746       1.599215  2.194633       1.686517  
1 1 1 6   2  43 o 83.07397 1.200508  68.82447       1.860945  70.30030       3.305584  68.13970       2.251660  1.210716       2.401017  
1 1 1 6   2  44 o 106.9762 1.694306  115.1186       3.622070  117.4636       5.248536  112.9862       5.004904  2.058266       3.388612  
1 1 1 6   2  45 o 51.62428 0.7371184 26.52833       0.7584354 24.79396       1.021981  28.65451       1.131548  -3.731461      1.474237  
1 1 1 6   2  46 o 11.87217 1.304343  1.450372       0.2992076 1.627671       0.4151332 1.258697       0.4316361 1.721596       2.608686  
1 1 1 6   2  47 o 70.27245 0.8710787 49.40095       1.222568  47.65271       1.676130  51.38846       1.787150  -2.647026      1.742157  
1 1 1 6   2  48 o 25.68818 0.7603170 6.600706       0.3902728 6.313462       0.5385767 6.918312       0.5663264 -1.174633      1.520634  
1 1 1 6   2  49 o 39.21368 0.7212906 15.39680       0.5653028 15.69050       0.8175330 15.12771       0.7825328 0.7141685      1.442581  
1 1 1 6   2  50 o 56.74319 1.028809  31.77756       1.122859  30.39002       1.393419  34.34720       1.896250  -3.412373      2.057617  
1 1 1 6   2  51 o 29.04428 1.052807  8.517931       0.6077951 8.949361       0.8286242 8.015489       0.8942235 1.618189       2.105614  
1 1 1 6   2  52 f 31.48570 0.7580414 9.890334       0.4747076 8.519773       0.6484696 11.47284       0.6968097 -4.683161      1.516083  
1 1 1 6   2  53 o 12.18764 1.499808  1.534887       0.3526652 1.202064       0.4905182 1.891011       0.5073977 -3.009521      2.999616  
1 1 1 6   2  54 o 8.270525 1.832415  0.6862850      0.3451999 0.8728859      0.4754647 0.4782855      0.5019872 1.703966       3.664830  
1 1 1 6   2  55 o 25.72149 0.8788200 6.640353       0.4513114 6.546477       0.6184179 6.747320       0.6601228 -0.3826694     1.757640  
1 1 1 6   2  56 o 45.72918 0.7891557 20.97187       0.7213157 20.40327       0.9991271 21.59084       1.042440  -1.290939      1.578311  
1 1 1 6   2  57 o 27.89119 0.8730916 7.787148       0.4851651 8.814384       0.7092459 6.883725       0.6651310 3.451838       1.746183  
1 1 1 6   2  58 o 38.15174 0.8175778 14.62008       0.6237741 14.33926       0.8758335 14.90915       0.8886046 -0.7443199     1.635156  
1 1 1 6   3  0  o 78.16550 0.8689230 60.27940       1.344440  66.72073       2.090031  55.73270       1.755957  7.027634       1.737846  
1 1 1 6   3  1  o 326.9487 3.400489  1068.280       22.20051  1038.104       30.39320  1102.796       32.50568  -9.867523      6.800977  
1 1 1 6   3  2  o 312.7398 3.254458  970.9113       20.20947  915.5419       26.73374  1044.749       30.87184  -20.61057      6.508915  
1 1 1 6   3  3  o 227.0529 2.370490  514.4119       10.73926  496.8350       14.60245  535.1186       15.84926  -8.420853      4.740980  
1 1 1 6   3  4  f 178.7494 1.873754  319.4120       6.695071  313.9525       9.288717  325.3149       9.658633  -3.176239      3.747507  
1 1 1 6   3  5  o 316.7948 3.519902  1007.139       22.20936  1037.681       30.34107  971.8846       32.59777  10.40558       7.039803  
1 1 1 6   3  6  o 195.0167 2.050374  379.9548       7.989680  370.3011       11.01528  390.6716       11.60608  -5.219986      4.100748  
1 1 1 6   3  7  o 519.7785 5.767594  2705.981       59.86247  2503.723       83.70399  2917.732       85.64604  -39.80313      11.53519  
1 1 1 6   3  8  o 246.9575 3.112518  617.9681       14.93776  575.3021       23.69769  646.0980       19.24190  -14.35893      6.225037  
1 1 1 6   3  9  o 661.9275 9.737665  4381.397       128.3458  4187.625       172.1703  4623.761       192.5518  -32.58148      19.47533  
1 1 1 6   3  10 o 334.2121 4.911494  1118.139       32.82202  1130.659       47.02148  1106.242       45.83591  3.641998       9.822989  
1 1 1 6   3  11 o 176.6963 2.624655  312.1767       9.271332  317.4296       13.34841  307.2807       12.88704  2.869476       5.249310  
1 1 1 6   3  12 o 649.4833 8.427865  4070.428       97.59677  3885.555       113.3511  4600.300       191.8994  -53.72919      16.85573  
1 1 1 6   3  13 o 397.7061 4.131048  1580.455       32.80568  1630.445       48.04739  1536.797       44.90077  11.74673       8.262096  
1 1 1 6   3  14 o 196.9178 2.075426  387.5126       8.166719  396.0905       11.84490  379.7401       11.27513  4.148911       4.150851  
1 1 1 6   3  15 o 468.4377 4.872781  2197.206       45.63704  2229.452       65.54937  2166.871       63.57687  6.655548       9.745563  
1 1 1 6   3  16 o 85.04062 1.021128  72.48911       1.724927  73.81650       2.320159  70.84881       2.579178  1.745613       2.042256  
1 1 1 6   3  17 o 170.8870 1.799700  291.8027       6.145531  299.0720       8.917490  285.2274       8.481109  4.048309       3.599401  
1 1 1 6   3  18 o 124.8169 1.335163  155.8210       3.333011  155.9992       4.719097  155.6437       4.708103  0.1423264      2.670326  
1 1 1 6   3  19 f 211.6220 2.214140  447.4439       9.359509  435.6758       12.85723  460.7101       13.65111  -5.907303      4.428281  
1 1 1 6   3  20 o 192.7877 2.023328  371.8116       7.800130  368.2020       10.91164  375.5836       11.15447  -1.912018      4.046657  
1 1 1 6   3  21 o 427.0999 4.440279  1829.460       37.92140  1811.607       53.00959  1848.172       54.27057  -4.249237      8.880559  
1 1 1 6   3  22 o 166.6550 1.759758  277.1873       5.852480  267.8806       7.966398  288.0995       8.626241  -6.058487      3.519516  
1 1 1 6   3  23 o 88.90781 0.9894647 78.69457       1.753177  74.95914       2.362161  83.27579       2.615952  -4.675186      1.978929  
1 1 1 6   3  24 o 57.67920 0.7210512 33.26244       0.8316492 33.83796       1.189705  32.71245       1.163008  0.9755135      1.442102  
1 1 1 6   3  25 o 164.3448 2.688004  278.1561       7.425061  284.9810       8.511765  256.4297       15.18670  8.819366       5.376009  
1 1 1 6   3  26 o 136.4763 2.057966  185.8143       5.601631  194.6263       8.302411  178.4509       7.589333  5.913391       4.115932  
1 1 1 6   3  27 o 164.5409 2.462483  269.0732       8.050896  288.8800       12.25055  254.0153       10.68143  10.55881       4.924967  
1 1 1 6   3  28 o 127.1683 1.748287  162.7522       4.414738  152.9753       6.527568  170.9943       5.993350  -7.094170      3.496574  
1 1 1 6   3  29 o 114.1297 1.238968  130.2753       2.827377  128.4506       3.946229  132.2000       4.052935  -1.641129      2.477936  
1 1 1 6   3  30 f 169.6152 1.792895  288.0067       6.081915  289.1374       8.635115  286.8936       8.567538  0.6599579      3.585791  
1 1 1 6   3  31 o 176.1693 1.860209  310.7922       6.553993  309.2763       9.221398  312.3397       9.316830  -0.8668060     3.720417  
1 1 1 6   3  32 o 229.9608 2.410911  529.7753       11.07971  518.7512       15.31272  541.8889       16.05154  -5.001373      4.821822  
1 1 1 6   3  33 o 46.67265 0.6663293 21.77065       0.6216878 22.37951       0.8963711 21.20631       0.8629780 1.256386       1.332659  
1 1 1 6   3  34 f 67.17867 0.8122309 45.13324       1.091026  45.87680       1.564166  44.42871       1.522563  1.076981       1.624462  
1 1 1 6   3  35 o 97.08040 1.081957  94.02188       2.095284  98.54886       3.100933  90.21858       2.842291  4.282181       2.163914  
1 1 1 6   3  36 o 99.90938 1.108900  99.92802       2.215658  100.5928       3.154240  99.28047       3.112995  0.6552353      2.217800  
1 1 1 6   3  37 o 54.73113 0.7241202 29.54174       0.7857844 33.28880       1.212702  26.82998       1.031656  5.895374       1.448240  
1 1 1 6   3  38 o 95.47283 1.073591  91.24816       2.049377  89.85019       2.856678  92.73060       2.941705  -1.504379      2.147182  
1 1 1 6   3  39 o 78.74902 0.9182287 61.87254       1.442587  65.01939       2.133515  59.22211       1.958017  3.672928       1.836457  
1 1 1 6   3  40 o 81.00833 0.9398675 65.47706       1.518775  68.85467       2.248463  62.64283       2.059677  3.824501       1.879735  
1 1 1 6   3  41 o 39.53567 0.8351133 16.06586       0.6197241 14.39016       1.050654  16.95993       0.7674452 -3.263573      1.670227  
1 1 1 6   3  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   3  43 o 28.63146 0.8190482 8.283056       0.4478769 8.466802       0.5594988 7.955270       0.7472867 0.9044991      1.638096  
1 1 1 6   3  44 o 28.94334 0.6896357 8.380790       0.3980336 7.530924       0.5538753 9.288426       0.5723904 -3.035032      1.379271  
1 1 1 6   3  45 o 54.34526 0.7522815 29.57960       0.8176523 29.63088       1.158995  29.52878       1.153693  0.9354401E-01  1.504563  
1 1 1 6   3  46 o 34.80099 0.6954089 12.09380       0.4831032 12.67936       0.7103807 11.58998       0.6589382 1.561394       1.390818  
1 1 1 6   3  47 o 13.08628 1.149590  1.727993       0.2994204 1.600696       0.4342763 1.843337       0.4133846 -0.9298477     2.299181  
1 1 1 6   3  48 o 35.74008 0.7035899 12.78991       0.5027992 13.13344       0.7204838 12.46377       0.7020072 0.9352074      1.407180  
1 1 1 6   3  49 o 19.10838 0.9336636 3.665905       0.3536226 3.046402       0.4903451 4.337268       0.5104567 -3.375216      1.867327  
1 1 1 6   3  50 o 11.25790 1.477202  1.301724       0.3219043 0.9420604      0.4403770 1.714406       0.4717203 -3.583607      2.954404  
1 1 1 6   3  51 o 11.71572 1.474316  1.392605       0.3329218 1.022267       0.4465739 1.855937       0.4995053 -3.713900      2.948632  
1 1 1 6   3  52 o 27.31721 1.110501  7.613433       0.5979962 8.467053       0.8126804 6.605494       0.8830888 3.420872       2.221002  
1 1 1 6   3  53 f 58.29444 0.9764727 34.22380       1.091902  33.87109       1.818096  34.42280       1.365614  -0.5514870     1.952945  
1 1 1 6   3  54 o 12.40193 1.509858  1.583161       0.3630119 1.311249       0.5025232 1.879902       0.5249645 -2.477323      3.019716  
1 1 1 6   3  55 o 13.99857 1.473540  2.097564       0.3796836 2.850229       0.5330210 1.322270       0.5409749 5.639040       2.947080  
1 1 1 6   3  56 o 15.16266 1.302407  2.366792       0.3857694 2.889066       0.5389896 1.818251       0.5523772 3.534871       2.604814  
1 1 1 6   3  57 f 27.11850 0.9266983 7.417970       0.4957742 5.908959       0.6876203 9.051690       0.7154700 -5.788229      1.853397  
1 1 1 6   3  58 f 7.741230 2.445396  -0.3714034     0.7708361 -0.6118351E-01 0.9758378 -0.8861862     1.257057  0.1866565      4.890792  
1 1 1 6   4  0  o 53.50982 0.9225405 28.06879       0.9745178 25.31143       1.260589  32.16421       1.536304  -6.402435      1.845081  
1 1 1 6   4  1  o 310.2109 4.562447  963.7120       28.29561  949.5369       39.37105  978.8556       40.69381  -4.706085      9.124893  
1 1 1 6   4  2  o 104.6078 1.599119  108.2296       3.315610  118.3190       5.117516  100.9304       4.352735  8.307602       3.198239  
1 1 1 6   4  3  o 52.82643 0.6442283 27.64601       0.6763240 25.71857       0.8970062 30.18525       1.029572  -4.227455      1.288457  
1 1 1 6   4  4  f 355.8900 4.639947  1206.024       29.09288  1401.370       58.66533  1142.314       33.50278  36.10907       9.279894  
1 1 1 6   4  5  o 213.0801 2.718573  455.9123       10.99351  448.9140       18.71790  459.5977       13.58313  -2.537277      5.437147  
1 1 1 6   4  6  o 137.8106 2.069577  188.1345       5.658034  203.8651       8.688622  176.5521       7.455515  9.904587       4.139154  
1 1 1 6   4  7  o 444.1823 6.523008  1946.646       57.15577  1804.287       73.91101  2158.413       90.14624  -39.66684      13.04602  
1 1 1 6   4  8  f 524.7971 7.044227  2418.575       58.36702  2231.808       63.96507  3347.665       142.6664  -105.3131      14.08845  
1 1 1 6   4  9  o 123.5794 1.426867  153.1038       3.517728  160.0984       4.881103  145.5450       5.074149  5.888824       2.853733  
1 1 1 6   4  10 f 346.9167 3.607495  1204.203       25.02766  1192.562       35.10252  1216.241       35.69380  -3.408630      7.214991  
1 1 1 6   4  11 o 406.9669 5.984741  1658.660       48.69096  1687.954       70.10383  1631.357       67.67899  6.924835       11.96948  
1 1 1 6   4  12 o 431.3996 4.480326  1863.189       38.65559  1862.016       54.50398  1864.376       54.83202  -0.2705383     8.960652  
1 1 1 6   4  13 o 561.8333 5.845608  3163.063       65.68371  3180.273       93.26860  3146.131       92.51754  3.028931       11.69122  
1 1 1 6   4  14 f 169.1376 1.788076  285.7149       6.041915  277.6631       8.311121  294.7395       8.798838  -5.045975      3.576151  
1 1 1 6   4  15 o 367.3210 3.818496  1350.295       28.04492  1332.478       39.12568  1369.123       40.21996  -4.976929      7.636992  
1 1 1 6   4  16 o 303.1097 3.151397  919.4981       19.10387  923.2330       27.13597  915.8281       26.89947  1.219238       6.302793  
1 1 1 6   4  17 o 360.1183 3.742626  1295.862       26.90547  1341.432       39.51577  1256.476       36.73624  11.76001       7.485252  
1 1 1 6   4  18 o 129.0284 1.955047  165.1108       5.009141  155.2660       6.626233  178.2395       7.651955  -8.894539      3.910093  
1 1 1 6   4  19 o 205.9556 2.156445  424.4337       8.882637  424.3340       12.56525  424.5332       12.55865  -0.4844666E-01 4.312891  
1 1 1 6   4  20 o 388.3952 4.035018  1511.591       31.33386  1491.570       43.66610  1532.844       44.98904  -5.285522      8.070036  
1 1 1 6   4  21 o 69.42696 0.8164877 48.20218       1.133663  47.81326       1.593025  48.60123       1.613656  -0.5673752     1.632975  
1 1 1 6   4  22 f 312.1914 3.249440  976.5766       20.28715  969.8811       28.46603  983.4874       28.92009  -2.168854      6.498880  
1 1 1 6   4  23 o 101.2946 1.108606  102.2582       2.239625  97.91023       3.033221  107.4702       3.320910  -4.716331      2.217213  
1 1 1 6   4  24 o 181.6482 1.910127  330.0338       6.935927  336.0584       10.00062  324.4501       9.627762  3.189651       3.820254  
1 1 1 6   4  25 o 238.3373 2.489904  568.8087       11.86804  565.4228       16.67585  572.2838       16.89417  -1.434982      4.979809  
1 1 1 6   4  26 o 117.9627 1.273203  139.1613       3.003023  137.2423       4.189349  141.1894       4.306923  -1.671677      2.546407  
1 1 1 6   4  27 o 178.7898 1.883348  319.5423       6.727010  311.5734       9.256111  328.4633       9.793471  -4.713791      3.766697  
1 1 1 6   4  28 o 167.8468 2.154609  285.1931       6.956605  293.9410       8.789637  270.5257       11.38138  7.033066       4.309218  
1 1 1 6   4  29 o 352.7321 5.219876  1254.901       36.81908  1243.628       51.55189  1266.639       52.60414  -3.199249      10.43975  
1 1 1 6   4  30 o 51.02055 0.9657111 25.98685       0.9832778 25.28686       1.339844  26.80387       1.447520  -1.485317      1.931422  
1 1 1 6   4  31 o 276.0428 3.531806  768.2565       18.47333  759.5417       31.57127  772.7938       22.78017  -2.874420      7.063611  
1 1 1 6   4  32 o 100.7416 1.112996  100.7927       2.229279  108.2954       3.380996  95.02212       2.965132  6.579765       2.225991  
1 1 1 6   4  33 o 87.50179 0.9922907 76.14559       1.728124  81.17596       2.602763  72.17966       2.311037  5.134377       1.984581  
1 1 1 6   4  34 o 7.752044 1.469937  0.6229339      0.2326253 0.5948304      0.3319598 0.6500511      0.3260825 -0.3125367     2.939875  
1 1 1 6   4  35 o 45.49418 0.6589296 20.70475       0.5995404 20.76054       0.8506018 20.64966       0.8451807 0.1217613      1.317859  
1 1 1 6   4  36 o 41.23533 0.6463385 16.58611       0.5262634 14.21304       0.6827917 20.05890       0.8259847 -7.085255      1.292677  
1 1 1 6   4  37 o 114.1488 1.248148  130.5382       2.849491  130.4425       4.027798  130.6340       4.031784  -0.8367920E-01 2.496297  
1 1 1 6   4  38 o 97.90212 1.093886  95.84631       2.139227  98.88898       3.120223  93.14758       2.938589  2.923111       2.187772  
1 1 1 6   4  39 o 76.24162 1.124116  56.19517       1.542415  62.90680       2.981560  53.74269       1.802322  5.943733       2.248232  
1 1 1 6   4  40 o 49.45741 1.023055  24.51478       1.011270  23.59886       1.435255  25.41780       1.425102  -1.839455      2.046111  
1 1 1 6   4  41 o 86.04187 1.210668  74.59763       1.979884  75.45170       2.452737  73.00035       3.354263  1.490906       2.421337  
1 1 1 6   4  42 o 77.99777 0.9210061 60.93244       1.436603  61.41193       2.048026  60.46798       2.015687  0.6030273      1.842012  
1 1 1 6   4  43 o 44.75304 0.6922823 20.01615       0.6191198 19.15862       0.8552828 20.96015       0.8973677 -2.010506      1.384565  
1 1 1 6   4  44 f 22.04060 0.7629302 4.864537       0.3362059 4.702991       0.4731390 5.029303       0.4778295 -0.7399426     1.525860  
1 1 1 6   4  45 o 77.08479 1.120245  60.59578       1.673078  63.96803       2.152025  55.44324       2.660102  5.585556       2.240490  
1 1 1 6   4  46 o 21.25720 0.8157309 4.520540       0.3462920 4.187235       0.4802413 4.881555       0.4998060 -1.631441      1.631462  
1 1 1 6   4  47 o 32.85609 0.7105210 10.78410       0.4660498 11.73732       0.6773876 9.927323       0.6422065 2.751482       1.421042  
1 1 1 6   4  48 o 41.20438 0.7108852 16.94568       0.5847289 15.82455       0.7991410 18.23756       0.8578389 -2.922661      1.421770  
1 1 1 6   4  49 o 33.82906 0.7193267 11.46498       0.4866198 11.34878       0.6815655 11.58581       0.6949997 -0.3490105     1.438653  
1 1 1 6   4  50 o 52.27498 0.7668611 27.37504       0.8014840 28.16208       1.151305  26.63495       1.116438  1.456760       1.533722  
1 1 1 6   4  51 o 19.42673 0.9720808 3.790093       0.3775791 3.794655       0.5406208 3.785748       0.5275733 0.2088547E-01  1.944162  
1 1 1 6   4  52 o 75.46093 0.9341039 56.93262       1.405344  60.36695       2.090661  54.10159       1.898169  4.119705       1.868208  
1 1 1 6   4  53 o 23.60140 1.177566  5.872441       0.5011710 6.278233       0.6041638 4.977130       0.8974088 2.816338       2.355131  
1 1 1 6   4  54 o 22.14696 1.317839  5.156316       0.5596992 6.148206       0.7465347 3.883128       0.8457937 5.138851       2.635678  
1 1 1 6   4  55 o 42.18425 0.7814398 17.84608       0.6588848 17.01344       0.9171979 18.73395       0.9471305 -2.034088      1.562880  
1 1 1 6   4  56 f 13.51763 2.016162  2.253103       0.4962271 1.092520       0.9177219 2.732629       0.5899004 -5.858525      4.032323  
1 1 1 6   4  57 o 25.27225 1.584900  6.340849       0.6145469 6.253241       0.6767302 6.752912       1.467654  -0.6930752     3.169801  
1 1 1 6   4  58 o 24.73501 3.009851  0.000000       0.000000  ?              ?         6.310794       1.488973  ?              ?         
1 1 1 6   5  0  o 447.0912 4.692516  1993.758       41.80516  1908.996       56.30819  2097.865       62.40339  -21.04370      9.385032  
1 1 1 6   5  1  o 479.5910 7.046436  2300.161       67.37810  2210.146       91.09939  2408.865       100.1109  -20.55338      14.09287  
1 1 1 6   5  2  o 95.60828 1.484759  91.39897       2.838578  90.22983       3.968110  92.62424       4.062255  -1.251862      2.969518  
1 1 1 6   5  3  o 518.8765 7.622201  2696.214       78.94992  2612.485       107.7664  2793.210       115.9907  -17.27679      15.24440  
1 1 1 6   5  4  o 424.2816 6.240246  1776.896       52.24252  1649.006       67.61501  1966.337       82.29288  -37.21060      12.48049  
1 1 1 6   5  5  o 186.7285 2.371268  353.1473       8.559734  367.0216       10.91662  331.0018       13.79195  9.657700       4.742536  
1 1 1 6   5  6  o 336.5446 3.499880  1131.937       23.53439  1163.699       34.20441  1103.382       32.43162  8.949860       6.999761  
1 1 1 6   5  7  o 417.3934 4.349098  1691.576       35.37226  1529.319       44.42657  1972.559       58.46284  -52.98401      8.698195  
1 1 1 6   5  8  o 315.8047 3.286372  997.4090       20.74916  980.9936       28.86736  1014.955       29.84452  -5.370819      6.572744  
1 1 1 6   5  9  o 449.3929 6.598118  2016.027       59.09442  1931.126       79.67578  2119.837       88.10237  -20.88803      13.19624  
1 1 1 6   5  10 o 329.2103 3.431199  1084.046       22.58455  1067.185       31.46298  1101.969       32.43809  -5.276245      6.862398  
1 1 1 6   5  11 o 124.3645 1.425935  155.0455       3.538203  162.3562       4.917157  147.1960       5.095138  6.095589       2.851870  
1 1 1 6   5  12 o 364.4544 3.785754  1313.964       27.31696  1227.844       35.73446  1435.048       42.37216  -28.37274      7.571507  
1 1 1 6   5  13 f 339.9024 3.531864  1155.843       24.00171  1172.889       34.48257  1139.823       33.42902  4.855347       7.063728  
1 1 1 6   5  14 o 112.6770 1.214094  125.8168       2.715912  118.0487       3.588947  136.2264       4.154598  -8.064522      2.428188  
1 1 1 6   5  15 o 336.7537 3.500430  1132.927       23.53625  1172.172       34.50047  1098.761       32.19006  10.87631       7.000859  
1 1 1 6   5  16 o 34.91951 0.5635948 11.77901       0.3868498 9.691766       0.4971229 14.98343       0.6159590 -7.576725      1.127190  
1 1 1 6   5  17 o 95.34050 1.048098  90.89428       1.998283  91.79443       2.852936  90.02734       2.799811  0.9265213      2.096196  
1 1 1 6   5  18 o 155.2134 2.133670  238.6513       6.396002  250.1222       10.62965  232.1411       8.007897  5.768158       4.267340  
1 1 1 6   5  19 o 133.9299 1.429304  178.8982       3.819281  186.6569       5.641584  172.3338       5.189277  5.343994       2.858608  
1 1 1 6   5  20 o 234.3388 2.448049  549.5853       11.47211  554.8173       16.37636  544.5436       16.07584  2.187973       4.896099  
1 1 1 6   5  21 o 293.8618 3.058898  865.0157       17.97758  867.6636       25.51007  862.4031       25.33908  0.8916626      6.117796  
1 1 1 6   5  22 o 256.5554 2.676859  659.1679       13.73433  655.1053       19.29074  663.3441       19.55859  -1.600174      5.353717  
1 1 1 6   5  23 o 142.1001 1.511534  200.0149       4.260204  187.4207       5.608921  217.1873       6.549527  -10.46236      3.023068  
1 1 1 6   5  24 o 76.21210 0.8739726 57.29858       1.318857  63.60805       2.047890  52.82732       1.723953  7.070648       1.747945  
1 1 1 6   5  25 o 174.8914 1.844120  305.8751       6.446207  299.7407       8.924751  312.5660       9.320766  -3.660446      3.688240  
1 1 1 6   5  26 o 122.5997 1.319566  149.9849       3.228651  156.0693       4.756325  144.7854       4.396839  4.597580       2.639133  
1 1 1 6   5  27 o 28.27458 0.5982290 7.941334       0.3371446 8.743959       0.5016533 7.280186       0.4552990 2.588223       1.196458  
1 1 1 6   5  28 o 79.17661 0.9106904 62.63235       1.440782  61.10156       1.986900  64.32991       2.092334  -2.037659      1.821381  
1 1 1 6   5  29 o 97.85165 1.086103  95.78621       2.125508  95.98186       3.015229  95.59296       2.996702  0.1984787      2.172205  
1 1 1 6   5  30 o 248.2513 2.815168  615.5992       13.74208  604.2932       17.79479  632.3041       21.63035  -5.491318      5.630336  
1 1 1 6   5  31 o 20.63657 0.9404174 4.243387       0.3856383 3.609273       0.5285091 4.965439       0.5639657 -3.285299      1.880835  
1 1 1 6   5  32 o 68.90997 1.153933  47.24611       1.584180  50.55401       2.371114  44.57898       2.129112  4.330132       2.307867  
1 1 1 6   5  33 o 40.71083 0.7941009 16.47907       0.6330083 17.06820       1.011477  16.09979       0.8115876 1.185776       1.588202  
1 1 1 6   5  34 o 40.33847 0.6325511 16.21259       0.5089973 17.14920       0.7537309 15.42738       0.6901285 2.133121       1.265102  
1 1 1 6   5  35 o 78.85933 0.9139177 61.64296       1.431811  57.40172       1.896450  67.26546       2.183537  -6.245461      1.827835  
1 1 1 6   5  36 o 47.60726 0.6709526 22.67021       0.6387779 22.33583       0.8956754 23.01632       0.9112630 -0.7143250     1.341905  
1 1 1 6   5  37 o 13.17273 1.350548  1.963912       0.2863915 1.407974       0.5516552 2.169029       0.3350848 -3.097975      2.701096  
1 1 1 6   5  38 o 94.36037 1.510336  89.21243       2.848313  86.84784       3.938907  91.80409       4.123691  -2.613129      3.020673  
1 1 1 6   5  39 o 27.33198 0.8170007 7.157738       0.4128146 6.687088       0.4897469 8.312848       0.7672450 -2.962303      1.634001  
1 1 1 6   5  40 o 27.60313 0.6675360 7.597253       0.3675349 6.862415       0.5046795 8.427077       0.5363067 -2.833033      1.335072  
1 1 1 6   5  41 o 35.92121 0.9131156 12.83145       0.6518479 15.05873       0.9633969 10.95084       0.8852566 5.713257       1.826231  
1 1 1 6   5  42 f 31.46887 0.6661999 9.905568       0.4191582 9.596654       0.5849254 10.23165       0.6009581 -1.008173      1.332400  
1 1 1 6   5  43 o 71.63332 0.8722671 51.34843       1.248744  52.75192       1.808774  50.07029       1.726108  1.865967       1.744534  
1 1 1 6   5  44 o 41.00346 0.6901514 16.62546       0.5624682 19.03159       0.8523574 14.76944       0.7486042 5.190903       1.380303  
1 1 1 6   5  45 o 54.31778 1.096614  29.62432       1.190476  29.06087       1.705661  30.15952       1.662349  -1.016205      2.193228  
1 1 1 6   5  46 o 67.40785 0.8502208 45.43957       1.144600  47.37313       1.674177  43.74260       1.568412  2.683121       1.700442  
1 1 1 6   5  47 o 23.90640 0.7617223 5.728151       0.3637283 6.108436       0.5175028 5.356882       0.5113316 1.571301       1.523445  
1 1 1 6   5  48 o 9.785159 1.494407  0.9946727      0.2966727 1.493250       0.4270421 0.5295743      0.4124552 4.799036       2.988815  
1 1 1 6   5  49 o 35.54719 0.7211918 12.58773       0.5111512 13.96343       0.7550836 11.42403       0.6944686 3.565788       1.442384  
1 1 1 6   5  50 f 29.47514 0.7698307 8.673765       0.4526430 7.868255       0.6200457 9.592831       0.6623103 -2.920698      1.539661  
1 1 1 6   5  51 o 31.63925 0.7646665 10.03419       0.4826396 11.02976       0.6923248 9.092893       0.6731881 3.058426       1.529333  
1 1 1 6   5  52 o 59.98920 0.8272436 36.10275       0.9923177 36.44908       1.420057  35.77224       1.387218  0.5593491      1.654487  
1 1 1 6   5  53 o 9.128421 1.817382  0.8676487      0.3450098 0.8180314      0.4690504 0.9261377      0.5092613 -0.5412712     3.634764  
1 1 1 6   5  54 o 41.43364 0.7767202 17.22568       0.6436360 17.28866       0.9134638 17.16358       0.9070476 0.1499405      1.553440  
1 1 1 6   5  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   5  56 o 31.23746 0.9460147 9.884912       0.5775846 9.465618       0.9090952 10.16873       0.7479413 -1.159979      1.892029  
1 1 1 6   5  57 o 20.90129 1.361344  4.406417       0.5608736 4.311168       0.7301703 4.543505       0.8759805 -0.5057735     2.722687  
1 1 1 6   5  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   6  0  o 306.6779 4.511143  936.3986       27.53671  993.0893       41.43842  891.5679       36.84978  16.50864       9.022286  
1 1 1 6   6  1  o 127.2408 1.922079  161.1703       4.872193  153.8333       6.551818  170.2472       7.287369  -6.447121      3.844157  
1 1 1 6   6  2  o 330.1432 4.197544  1092.454       26.20360  1095.502       32.20810  1086.486       45.06484  1.467804       8.395087  
1 1 1 6   6  3  o 129.0509 1.373104  166.5546       3.543946  166.0185       4.994448  167.0983       5.029528  -0.4182587     2.746207  
1 1 1 6   6  4  f 247.2839 2.578263  609.5692       12.71389  638.3831       18.86533  585.5930       17.20892  10.66620       5.156527  
1 1 1 6   6  5  o 144.7306 1.538599  208.7353       4.440232  218.8722       6.593504  200.3234       6.006359  6.406387       3.077197  
1 1 1 6   6  6  o 169.0079 1.784500  285.6510       6.031365  288.1223       8.598804  283.2576       8.462117  1.438736       3.569000  
1 1 1 6   6  7  o 324.0354 4.770982  1050.317       30.89872  1076.839       44.69969  1026.047       42.75962  7.819641       9.541965  
1 1 1 6   6  8  o 346.4962 3.601512  1196.565       24.87260  1146.134       33.55208  1258.090       37.05916  -16.13068      7.203024  
1 1 1 6   6  9  o 541.7289 5.636235  2930.762       60.87348  2831.814       82.33026  3050.088       90.41242  -20.05566      11.27247  
1 1 1 6   6  10 o 183.5436 1.929545  336.9279       7.082376  338.7154       10.09989  335.1986       9.934155  0.9573669      3.859090  
1 1 1 6   6  11 o 210.4815 2.203469  441.4935       9.246402  463.1573       13.74727  423.5969       12.49501  9.391617       4.406938  
1 1 1 6   6  12 f 327.7760 3.406013  1074.504       22.31594  1095.343       32.20500  1055.256       30.95134  6.104858       6.812026  
1 1 1 6   6  13 o 216.8816 2.266570  468.3864       9.792522  493.8809       14.64951  447.7928       13.16636  10.61641       4.533141  
1 1 1 6   6  14 f 318.7285 3.325855  1016.513       21.19262  1007.308       29.50517  1026.322       30.45938  -2.973572      6.651710  
1 1 1 6   6  15 o 159.0689 1.679881  252.9695       5.342294  248.8364       7.432125  257.3882       7.684483  -2.686707      3.359762  
1 1 1 6   6  16 o 304.0203 3.162246  924.6732       19.21773  942.0276       27.71888  908.6102       26.66754  5.483704       6.324492  
1 1 1 6   6  17 o 321.6037 3.345384  1035.576       21.51611  1043.178       30.65709  1028.196       30.20471  2.322906       6.690767  
1 1 1 6   6  18 o 208.2218 2.183632  432.7276       9.074786  417.5224       12.36446  450.4818       13.36074  -7.904007      4.367264  
1 1 1 6   6  19 f 248.9602 2.599459  620.4114       12.94241  616.9654       18.18174  623.9512       18.42739  -1.399536      5.198919  
1 1 1 6   6  20 f 127.0575 1.361551  159.9772       3.433556  150.0524       4.532352  173.3449       5.260070  -9.159996      2.723102  
1 1 1 6   6  21 o 112.6879 1.218422  127.0234       2.746014  127.2369       3.891238  126.8116       3.875710  0.1885681      2.436845  
1 1 1 6   6  22 o 190.9639 2.009840  365.0013       7.676066  366.4003       10.88463  363.6172       10.82680  0.7277374      4.019681  
1 1 1 6   6  23 o 99.19988 1.095574  96.10786       2.134365  110.5379       3.434542  87.02899       2.724278  11.84312       2.191149  
1 1 1 6   6  24 o 67.90900 0.8014228 45.54624       1.079088  41.98931       1.417350  50.45098       1.664361  -6.228554      1.602846  
1 1 1 6   6  25 o 215.2945 2.256739  463.8698       9.712913  456.4704       13.49649  471.8192       13.98901  -3.554688      4.513478  
1 1 1 6   6  26 f 190.9492 2.007206  364.9677       7.664762  362.0913       10.75112  367.9408       10.93032  -1.528259      4.014411  
1 1 1 6   6  27 o 221.4346 2.318835  490.3155       10.25529  476.8105       14.06837  505.6292       14.98094  -6.485077      4.637671  
1 1 1 6   6  28 o 88.57675 0.9967309 78.47705       1.765612  78.96943       2.515255  77.99874       2.479043  0.5475311      1.993462  
1 1 1 6   6  29 o 132.2977 1.420613  174.7315       3.751563  168.7982       5.117169  181.6264       5.516309  -4.841034      2.841226  
1 1 1 6   6  30 o 185.9944 1.960172  346.2363       7.286736  339.4243       10.08628  353.6731       10.53860  -3.816925      3.920344  
1 1 1 6   6  31 f 169.4224 1.793040  287.2295       6.071203  293.6989       8.789228  281.3258       8.396208  3.639679       3.586081  
1 1 1 6   6  32 o 135.1094 1.449215  182.7724       3.916048  182.5981       5.533795  182.9472       5.542470  -0.1289368     2.898429  
1 1 1 6   6  33 o 55.60668 0.8687364 31.19751       0.9284661 31.91320       1.169214  29.97583       1.527599  1.749466       1.737473  
1 1 1 6   6  34 o 47.68803 0.9168987 22.71991       0.8736694 21.91011       1.203847  23.62102       1.269909  -1.792057      1.833797  
1 1 1 6   6  35 o 6.549160 2.881892  0.000000       0.000000  ?              ?         -0.2056753     0.7296622 ?              ?         
1 1 1 6   6  36 o 74.09067 1.551946  53.51212       2.088265  58.68541       3.957450  51.51577       2.458391  4.748749       3.103893  
1 1 1 6   6  37 f 57.18879 0.9150200 32.84243       0.9874237 33.05087       1.212227  32.43143       1.702196  0.5614586      1.830040  
1 1 1 6   6  38 o 32.53460 0.6335169 10.44144       0.4092850 12.17567       0.6219162 9.116525       0.5435913 4.698954       1.267034  
1 1 1 6   6  39 o 15.30397 0.8499314 2.339974       0.2598741 2.483130       0.3768801 2.210210       0.3588198 0.8908405      1.699863  
1 1 1 6   6  40 o 26.04230 0.8550667 6.897055       0.4380325 7.631960       0.5904310 5.997405       0.6532668 3.141369       1.710133  
1 1 1 6   6  41 o 48.83999 0.7032682 23.60590       0.6829372 21.27769       0.9088647 26.62533       1.035025  -5.468491      1.406536  
1 1 1 6   6  42 o 68.69054 0.9176402 46.96428       1.239562  45.68155       1.602345  48.87597       1.956120  -2.301834      1.835280  
1 1 1 6   6  43 o 56.80119 0.7609511 32.22863       0.8631760 33.74708       1.263552  30.89995       1.181959  2.501041       1.521902  
1 1 1 6   6  44 o 36.37023 0.6874860 13.24011       0.4999450 13.68219       0.7136397 12.81404       0.7005986 1.192638       1.374972  
1 1 1 6   6  45 o 80.18250 1.252573  63.90112       1.937089  67.16633       3.230965  62.06885       2.420315  3.072914       2.505146  
1 1 1 6   6  46 o 24.28179 0.7712416 5.888480       0.3737804 5.399419       0.5138734 6.437939       0.5446814 -2.135786      1.542483  
1 1 1 6   6  47 f 93.87270 1.078356  88.30272       2.021283  91.52184       2.961807  85.49648       2.765347  3.182831       2.156712  
1 1 1 6   6  48 o 43.70876 0.7207918 19.03112       0.6282575 20.81881       0.9310465 17.53663       0.8512823 3.746819       1.441584  
1 1 1 6   6  49 o 36.68726 0.7238429 13.48721       0.5310725 13.73341       0.7542064 13.24508       0.7479327 0.6648827      1.447686  
1 1 1 6   6  50 o 11.57794 1.447032  1.397345       0.3224475 1.685140       0.4512448 1.097066       0.4609286 2.723194       2.894064  
1 1 1 6   6  51 o 60.83135 0.8282551 37.12322       1.007539  37.44205       1.439088  36.81668       1.411077  0.5099983      1.656510  
1 1 1 6   6  52 o 43.70533 0.7573680 19.06575       0.6604522 17.65608       0.8990993 20.71788       0.9733545 -3.492828      1.514736  
1 1 1 6   6  53 o 59.80643 0.9207865 35.96663       1.083204  35.74366       1.689531  36.12224       1.411461  -0.3654518     1.841573  
1 1 1 6   6  54 o 30.56583 1.032072  9.281604       0.6213378 8.761252       0.8021020 10.06234       0.9824978 -2.090244      2.064145  
1 1 1 6   6  55 o 47.08489 0.7860630 22.25516       0.7402284 22.37111       1.048772  22.14005       1.044920  0.2447052      1.572126  
1 1 1 6   6  56 o 10.64194 1.913635  1.266442       0.4739631 1.902584       0.5984302 0.1958239      0.7763431 6.087297       3.827271  
1 1 1 6   6  57 o 63.83359 1.212929  41.16871       1.546702  41.15788       2.136454  41.18064       2.242102  0.1405716E-01  2.425858  
1 1 1 6   6  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   7  0  o 476.9151 4.976093  2275.591       47.41656  2239.340       65.40367  2315.755       68.84271  -7.980133      9.952187  
1 1 1 6   7  1  o 269.2745 2.803756  725.3247       15.09867  720.5466       21.21101  730.2327       21.49735  -1.797119      5.607512  
1 1 1 6   7  2  o 334.1922 3.472027  1117.509       23.20579  1121.511       32.96838  1113.580       32.66954  1.184723       6.944053  
1 1 1 6   7  3  f 551.0842 8.101781  3034.530       88.96925  3191.834       132.7713  2906.333       119.8600  25.70959       16.20356  
1 1 1 6   7  4  o 148.3618 2.216744  220.0836       6.575979  223.9639       9.428937  216.4087       9.175901  2.545151       4.433488  
1 1 1 6   7  5  o 483.9938 5.048016  2345.141       48.85763  2387.197       69.77549  2304.686       68.43429  8.510895       10.09603  
1 1 1 6   7  6  o 609.5818 6.358586  3718.781       77.42033  3624.280       106.3024  3825.530       112.9802  -16.42407      12.71717  
1 1 1 6   7  7  o 229.1005 2.404556  524.3367       11.00445  511.5813       15.12736  538.6739       16.03781  -5.908493      4.809112  
1 1 1 6   7  8  o 393.2780 4.087797  1544.131       32.08205  1605.957       47.28616  1491.397       43.67091  14.53506       8.175594  
1 1 1 6   7  9  o 238.1338 2.496497  567.1777       11.88815  561.4919       16.63660  573.1104       16.99385  -2.437592      4.992994  
1 1 1 6   7  10 o 452.3993 4.708884  2047.844       42.57391  2008.702       58.86790  2090.767       61.64528  -9.040710      9.417768  
1 1 1 6   7  11 o 335.8227 3.489454  1127.461       23.41303  1155.266       34.03399  1102.480       32.25930  7.844086       6.978908  
1 1 1 6   7  12 o 217.5861 2.274513  473.2922       9.892264  464.5426       13.71175  482.7891       14.28543  -4.189453      4.549026  
1 1 1 6   7  13 f 70.42929 0.8130302 49.59007       1.145000  50.37193       1.639190  48.84507       1.600067  1.083862       1.626060  
1 1 1 6   7  14 o 182.6274 1.924292  333.5701       7.027075  330.3874       9.819124  336.9115       10.06085  -1.784683      3.848584  
1 1 1 6   7  15 o 252.9942 2.638696  640.2399       13.34646  630.7133       18.57162  650.4150       19.19321  -3.887650      5.277393  
1 1 1 6   7  16 o 401.9247 4.178794  1611.358       33.46122  1700.015       50.02642  1539.583       45.01236  19.86954       8.357588  
1 1 1 6   7  17 o 135.4674 1.443631  183.0175       3.901639  191.0333       5.766048  176.2476       5.298995  5.454041       2.887262  
1 1 1 6   7  18 o 207.6682 2.176546  431.4442       9.037927  426.0083       12.62003  437.1678       12.94945  -2.683029      4.353092  
1 1 1 6   7  19 o 135.5811 1.445059  182.7881       3.899239  173.4991       5.213640  194.5791       5.873934  -7.768188      2.890118  
1 1 1 6   7  20 f 127.0945 1.361558  161.4946       3.459307  158.6665       4.804399  164.5393       4.984996  -2.308670      2.723117  
1 1 1 6   7  21 o 296.2701 3.085889  879.6312       18.28502  877.7944       25.80431  881.4838       25.91389  -0.6199341     6.171778  
1 1 1 6   7  22 o 121.6556 1.310441  147.9065       3.185836  144.5399       4.399552  151.6180       4.619388  -2.906784      2.620883  
1 1 1 6   7  23 o 148.5627 1.579770  220.3952       4.686074  228.0455       6.868807  213.7343       6.409253  4.810837       3.159541  
1 1 1 6   7  24 o 114.3516 1.239973  129.7618       2.817622  122.1497       3.738432  139.7724       4.287121  -7.699547      2.479945  
1 1 1 6   7  25 o 182.8549 1.926052  334.5591       7.041627  339.4984       10.10901  329.9037       9.814260  2.618332       3.852104  
1 1 1 6   7  26 o 220.2482 2.308311  485.4037       10.16038  475.4254       14.04668  496.3533       14.71446  -4.735382      4.616621  
1 1 1 6   7  27 o 141.3088 1.508152  199.4731       4.256357  193.5926       5.836734  206.1521       6.220359  -4.437607      3.016303  
1 1 1 6   7  28 o 215.4303 2.259295  462.5099       9.691466  441.0329       12.99640  489.4125       14.54569  -11.18655      4.518589  
1 1 1 6   7  29 f 97.74925 1.085356  95.33044       2.117468  91.72800       2.884475  99.54050       3.118275  -3.992607      2.170712  
1 1 1 6   7  30 o 257.7073 2.695348  666.2792       13.89132  670.4158       19.78040  662.2538       19.51291  1.571991       5.390697  
1 1 1 6   7  31 f 65.54845 0.7955253 42.88912       1.041544  41.25589       1.428924  44.74047       1.521349  -2.656631      1.591051  
1 1 1 6   7  32 o 124.5241 1.344852  155.2184       3.348866  156.6210       4.783743  153.8703       4.689681  1.101639       2.689704  
1 1 1 6   7  33 o 56.08795 1.055759  30.83615       1.168261  35.43924       1.846779  27.76517       1.508438  6.831509       2.111519  
1 1 1 6   7  34 o 92.20148 1.480020  84.73251       2.717478  89.84072       4.076334  80.64635       3.645795  4.965424       2.960040  
1 1 1 6   7  35 o 95.34963 1.311890  91.71909       2.377865  93.20669       2.949852  88.95894       4.018126  2.275955       2.623780  
1 1 1 6   7  36 f 77.23293 1.259025  59.76455       1.944757  59.97653       2.753381  59.55353       2.747233  0.2735138      2.518050  
1 1 1 6   7  37 o 32.22507 0.8332770 10.21162       0.5320488 12.30263       0.8131304 8.646147       0.7035669 5.669113       1.666554  
1 1 1 6   7  38 o 124.5425 1.654142  155.3766       3.877889  156.7624       6.751677  154.6944       4.737203  0.6611252      3.308283  
1 1 1 6   7  39 o 70.91933 0.8570691 50.29694       1.214690  51.70677       1.760993  49.01733       1.677694  1.892197       1.714138  
1 1 1 6   7  40 o 67.33145 0.8277867 45.30902       1.113522  43.68074       1.531865  47.13336       1.621468  -2.559227      1.655573  
1 1 1 6   7  41 o 29.59122 0.6589671 8.755359       0.3893068 8.052650       0.5418234 9.505306       0.5597396 -2.453712      1.317934  
1 1 1 6   7  42 o 82.91835 0.9636382 68.89496       1.598016  68.91185       2.269092  68.87833       2.250888  0.1885223E-01  1.927276  
1 1 1 6   7  43 o 50.41624 0.7169810 25.45098       0.7228895 25.36529       1.027996  25.53481       1.016737  -0.1688194     1.433962  
1 1 1 6   7  44 o 52.61885 0.7363533 27.42255       0.7695261 30.33093       1.176166  25.24577       1.017536  4.820366       1.472707  
1 1 1 6   7  45 o 15.21230 1.177188  2.316104       0.3458928 2.353403       0.5704684 2.294419       0.4349691 0.1769991      2.354377  
1 1 1 6   7  46 f 44.11168 0.7133775 19.48972       0.6293339 19.33313       0.8845972 19.65020       0.8955284 -0.3584785     1.426755  
1 1 1 6   7  47 o 33.90539 0.7196986 11.50508       0.4874972 12.29290       0.7010765 10.76754       0.6783360 2.247322       1.439397  
1 1 1 6   7  48 o 14.31715 1.143994  2.036032       0.3235951 1.632011       0.4347622 2.537864       0.4845389 -3.155809      2.287989  
1 1 1 6   7  49 f 32.51042 0.7453197 10.59281       0.4845861 10.43628       0.6825119 10.75194       0.6881391 -0.4848595     1.490639  
1 1 1 6   7  50 o 27.09020 0.7796758 7.358716       0.4224216 7.427082       0.5982144 7.290724       0.5965776 0.2514744      1.559352  
1 1 1 6   7  51 o 29.55994 0.7734472 8.677367       0.4542124 10.22498       0.6776975 7.415192       0.6120186 4.743788       1.546894  
1 1 1 6   7  52 o 27.28462 1.296543  7.456469       0.7015045 7.891043       1.075844  7.135038       0.9252535 1.350311       2.593087  
1 1 1 6   7  53 o 17.35234 1.154910  2.883481       0.3899018 2.174908       0.4956235 4.034094       0.6315743 -5.326276      2.309820  
1 1 1 6   7  54 o 18.36647 1.036253  3.390350       0.3789772 2.972933       0.5246301 3.845860       0.5480458 -2.371168      2.072506  
1 1 1 6   7  55 o 34.43883 0.7948990 11.86878       0.5465773 11.03513       0.7500716 12.81266       0.7981181 -2.572243      1.589798  
1 1 1 6   7  56 o 70.70506 1.271778  50.55498       1.798138  51.41743       2.537634  49.68525       2.548303  1.228233       2.543557  
1 1 1 6   7  57 o 33.15140 1.106229  11.10176       0.7303075 11.30343       0.9932551 10.86442       1.077503  0.6848183      2.212459  
1 1 1 6   8  0  o 276.0379 2.874055  756.8809       15.76858  809.2338       23.94448  716.7888       20.95384  16.72852       5.748111  
1 1 1 6   8  1  f 491.8726 5.112925  2422.810       50.29784  2430.452       71.28581  2415.233       70.97895  1.544006       10.22585  
1 1 1 6   8  2  f 234.4299 2.446972  549.6229       11.47044  543.7139       16.02610  555.8292       16.42453  -2.582108      4.893943  
1 1 1 6   8  3  o 545.3036 5.683935  2909.569       60.70548  2661.922       77.09129  3313.754       98.48717  -59.52924      11.36787  
1 1 1 6   8  4  o 742.0143 7.763530  5520.666       115.1248  5435.228       159.2311  5614.243       166.6438  -11.94928      15.52706  
1 1 1 6   8  5  o 219.6894 2.298536  482.7722       10.09920  481.3482       14.24838  484.2099       14.31673  -0.6510010     4.597072  
1 1 1 6   8  6  o 394.0509 4.089016  1554.248       32.22560  1554.250       45.55588  1554.246       45.59190  0.7019043E-03  8.178032  
1 1 1 6   8  7  o 105.5689 1.145240  111.1217       2.412433  116.1795       3.561064  106.8316       3.279672  4.426697       2.290481  
1 1 1 6   8  8  o 62.36331 0.7372327 38.79689       0.9179169 40.46435       1.347459  37.35306       1.253851  2.494339       1.474465  
1 1 1 6   8  9  o 359.0619 3.739269  1290.490       26.85127  1292.332       37.80204  1288.615       38.14719  0.5207214      7.478539  
1 1 1 6   8  10 f 266.0804 2.770831  708.3182       14.74401  713.1941       21.01505  703.5916       20.69110  1.802155       5.541661  
1 1 1 6   8  11 o 449.9122 4.682150  2026.431       42.10831  2064.838       60.75824  1990.933       58.41136  8.182648       9.364300  
1 1 1 6   8  12 o 192.6580 2.026035  371.2825       7.806389  373.7636       11.09438  368.8495       10.98622  1.274658       4.052071  
1 1 1 6   8  13 f 178.1945 1.874894  316.6714       6.664359  330.4056       9.861405  305.1259       9.041528  7.088089       3.749789  
1 1 1 6   8  14 o 274.3042 2.856149  752.6722       15.66144  765.8245       22.57305  740.4645       21.74727  4.613586       5.712298  
1 1 1 6   8  15 o 245.6051 2.568778  602.5325       12.59791  623.5060       18.45351  584.2256       17.24054  7.983215       5.137557  
1 1 1 6   8  16 o 226.4999 2.367059  512.9886       10.71504  502.8063       14.82064  524.1395       15.50953  -4.701355      4.734119  
1 1 1 6   8  17 o 174.8990 1.846593  306.0081       6.458454  303.3540       9.044299  308.7698       9.225665  -1.546463      3.693187  
1 1 1 6   8  18 o 174.2903 1.981122  304.5653       6.860960  298.5750       10.25180  309.4249       9.233604  -3.124832      3.962243  
1 1 1 6   8  19 o 58.31954 0.7181675 33.98536       0.8372381 33.09670       1.161584  34.94619       1.207837  -1.585419      1.436335  
1 1 1 6   8  20 o 234.0865 2.446709  547.3130       11.42969  568.6595       16.84359  529.0948       15.56059  8.426041       4.893418  
1 1 1 6   8  21 o 182.9340 1.925744  334.7025       7.041696  341.3047       10.16549  328.6120       9.763583  3.463028       3.851489  
1 1 1 6   8  22 o 89.01049 0.9941275 78.62529       1.759255  73.90571       2.339039  84.77267       2.669510  -6.101746      1.988255  
1 1 1 6   8  23 o 47.48735 0.7328479 22.41121       0.6896509 27.04751       1.017221  18.46731       0.9381930 9.033699       1.465696  
1 1 1 6   8  24 f 283.7328 2.958861  806.7019       16.78751  815.1697       24.01404  798.6083       23.47730  2.903931       5.917722  
1 1 1 6   8  25 o 106.7351 1.166994  112.8958       2.472963  105.6820       3.267717  122.5653       3.783243  -7.903000      2.333989  
1 1 1 6   8  26 o 123.9427 1.334683  153.6863       3.308199  154.7881       4.715534  152.6186       4.642323  0.8741379      2.669366  
1 1 1 6   8  27 f 138.6261 1.481912  191.0840       4.087181  181.0792       5.455701  203.8816       6.170339  -8.212082      2.963824  
1 1 1 6   8  28 o 126.7919 1.365946  160.7030       3.460614  164.6848       5.024847  157.1104       4.772957  2.982330       2.731891  
1 1 1 6   8  29 o 130.0315 1.397382  169.2251       3.634003  169.7388       5.158437  168.7189       5.120287  0.3913116      2.794765  
1 1 1 6   8  30 f 117.6023 1.548492  140.8307       3.542846  127.2025       5.549597  150.2056       4.602849  -9.805290      3.096983  
1 1 1 6   8  31 o 68.49338 1.190682  45.98677       1.607192  52.56539       2.551541  41.65987       2.069300  7.948570       2.381363  
1 1 1 6   8  32 o 105.5081 1.657010  111.4944       3.495775  109.7074       4.880945  113.3765       5.009089  -1.733459      3.314019  
1 1 1 6   8  33 o 142.2156 1.523112  202.6134       4.331453  204.7843       6.195176  200.5373       6.058317  1.486862       3.046225  
1 1 1 6   8  34 o 26.86153 0.6316576 7.195987       0.3382172 6.410094       0.4655729 8.074186       0.4921562 -3.096973      1.263315  
1 1 1 6   8  35 f 72.47366 0.8605046 52.41172       1.244499  54.81905       1.835648  50.36406       1.692972  3.068649       1.721009  
1 1 1 6   8  36 o 55.08371 0.7288145 29.87846       0.7957990 26.78791       1.044160  34.16149       1.229205  -6.686977      1.457629  
1 1 1 6   8  37 o 48.86556 0.6917130 23.75956       0.6736472 25.48725       1.005525  22.35268       0.9073786 3.204014       1.383426  
1 1 1 6   8  38 o 43.29443 0.8408812 18.43898       0.7121913 17.30556       0.9050558 20.28212       1.154138  -3.426338      1.681762  
1 1 1 6   8  39 o 35.91589 0.8510679 12.85840       0.6097160 12.16673       0.8262580 13.68531       0.9034390 -2.110264      1.702136  
1 1 1 6   8  40 o 50.26350 0.8430753 25.46745       0.8175008 24.64938       1.335818  25.95730       1.033673  -1.318432      1.686151  
1 1 1 6   8  41 o 37.37021 0.6535717 13.98645       0.4881264 13.43925       0.6927448 14.52602       0.6879106 -1.454285      1.307143  
1 1 1 6   8  42 o 61.72802 0.7908292 38.15797       0.9761748 38.22758       1.393440  38.09089       1.367952  0.1090584      1.581658  
1 1 1 6   8  43 o 57.59328 0.7668121 33.01071       0.8796301 35.49897       1.319088  31.01816       1.180403  3.880230       1.533624  
1 1 1 6   8  44 o 34.41415 0.6738863 11.85419       0.4636227 12.01977       0.6673231 11.69970       0.6445906 0.4634285      1.347773  
1 1 1 6   8  45 o 20.37045 0.8207173 4.186489       0.3321006 3.775025       0.4814166 4.560081       0.4587269 -1.929007      1.641435  
1 1 1 6   8  46 o 20.62839 0.8215001 4.225100       0.3365046 5.010238       0.5010819 3.580146       0.4541507 3.461603       1.643000  
1 1 1 6   8  47 o 61.67513 0.8108140 38.13337       1.000053  38.11515       1.423597  38.15112       1.405159  -0.3116608E-01 1.621628  
1 1 1 6   8  48 o 75.52151 0.9287227 57.16805       1.401596  58.69217       2.033036  55.78750       1.934916  1.910263       1.857445  
1 1 1 6   8  49 o 31.24744 0.7425227 9.787068       0.4640101 9.879569       0.6548808 9.693815       0.6575460 0.2975216      1.485045  
1 1 1 6   8  50 o 43.89693 0.9848128 18.54605       0.7716382 21.16942       1.517635  17.63140       0.8961149 3.928230       1.969626  
1 1 1 6   8  51 o 37.97899 1.009230  14.40747       0.7487767 14.09004       0.9561664 14.91081       1.204030  -1.036606      2.018459  
1 1 1 6   8  52 o 56.67450 0.8117679 32.22828       0.9200805 31.79410       1.294163  32.67202       1.308334  -0.7723846     1.623536  
1 1 1 6   8  53 f 20.61153 0.9686835 4.271074       0.3992671 4.281625       0.5604553 4.260200       0.5689383 0.5361748E-01  1.937367  
1 1 1 6   8  54 o 40.93546 0.7786946 16.74031       0.6359833 18.16151       0.9383200 15.53259       0.8649819 3.198288       1.557389  
1 1 1 6   8  55 o 43.72308 0.9495683 19.20734       0.8240556 19.39709       1.247170  19.06031       1.097841  0.3528404      1.899137  
1 1 1 6   8  56 o 52.55526 1.101050  27.83671       1.156401  29.44386       1.659199  26.31858       1.612592  2.960384       2.202099  
1 1 1 6   8  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   9  0  o 75.08176 1.189929  56.31178       1.785472  57.99841       2.587603  54.77896       2.466804  2.143669       2.379859  
1 1 1 6   9  1  o 497.4152 7.333397  2474.469       72.80113  2375.884       99.12653  2589.912       107.2674  -21.39468      14.66679  
1 1 1 6   9  2  o 276.8470 4.073555  766.7830       22.54490  779.3334       32.46775  755.0973       31.32933  4.367798       8.147109  
1 1 1 6   9  3  o 435.6891 5.499469  1916.521       45.84284  1849.369       76.28619  1954.477       57.35375  -12.27246      10.99894  
1 1 1 6   9  4  o 186.8433 1.960839  349.1822       7.327333  348.7766       10.33918  349.5915       10.38580  -0.2178650     3.921678  
1 1 1 6   9  5  o 336.0045 3.494989  1129.058       23.47251  1108.570       32.52776  1151.318       33.90536  -6.350647      6.989979  
1 1 1 6   9  6  o 412.2933 4.278561  1701.805       35.27901  1693.772       49.62724  1710.012       50.16117  -1.964264      8.557122  
1 1 1 6   9  7  o 225.9321 2.361755  509.1580       10.64533  490.8482       14.45701  530.8436       15.73339  -8.843826      4.723510  
1 1 1 6   9  8  o 569.8561 5.926229  3248.198       67.41557  3374.182       99.05180  3139.475       92.01647  20.48486       11.85246  
1 1 1 6   9  9  o 151.2829 1.600212  228.8296       4.840239  225.7741       6.746745  232.0700       6.947952  -2.079941      3.200424  
1 1 1 6   9  10 o 358.8812 3.725995  1289.155       26.73799  1303.991       38.29254  1275.039       37.35147  4.023163       7.451991  
1 1 1 6   9  11 o 174.1331 1.835137  303.3135       6.391066  302.5443       9.009141  304.0927       9.067809  -0.4442749     3.670275  
1 1 1 6   9  12 o 455.7780 4.750974  2067.632       43.01900  2203.098       65.46068  1964.653       57.07410  26.01309       9.501947  
1 1 1 6   9  13 o 224.0687 2.341444  502.1611       10.48891  510.0844       15.08408  494.7432       14.59513  3.418671       4.682889  
1 1 1 6   9  14 o 119.3320 1.283081  142.4237       3.062104  141.6797       4.305284  143.1853       4.356102  -0.6305542     2.566161  
1 1 1 6   9  15 o 89.26607 0.9919221 79.68295       1.770684  78.93616       2.480858  80.45844       2.528059  -0.8524323     1.983844  
1 1 1 6   9  16 o 302.8608 3.152763  918.4969       19.09362  909.4755       26.70550  927.9310       27.30953  -3.036255      6.305527  
1 1 1 6   9  17 o 55.86707 0.7001837 31.08820       0.7803167 32.92857       1.155496  29.54528       1.058007  3.027550       1.400367  
1 1 1 6   9  18 o 131.8431 2.004867  173.9132       5.285262  171.6491       7.376682  176.3015       7.576295  -1.761490      4.009734  
1 1 1 6   9  19 o 167.0023 1.763420  278.5464       5.880388  270.0607       8.046282  288.2742       8.615073  -5.445084      3.526840  
1 1 1 6   9  20 o 135.0735 1.441844  182.5153       3.894753  183.8475       5.552301  181.2247       5.464766  0.9698792      2.883687  
1 1 1 6   9  21 o 249.9142 2.613498  624.7931       13.04968  640.7510       18.97306  610.4665       17.97725  6.038574       5.226997  
1 1 1 6   9  22 f 156.3634 1.657598  244.6579       5.183746  244.6967       7.336862  244.6191       7.325002  0.2464294E-01  3.315197  
1 1 1 6   9  23 o 55.45826 0.7095835 30.29567       0.7795200 27.56888       1.019906  34.12624       1.208831  -5.910751      1.419167  
1 1 1 6   9  24 o 125.0824 1.347222  156.3504       3.366985  152.6087       4.640215  160.5110       4.893114  -3.155487      2.694444  
1 1 1 6   9  25 f 181.1648 1.909606  328.4294       6.916622  323.6176       9.629227  333.5582       9.941405  -2.737167      3.819212  
1 1 1 6   9  26 o 192.2470 2.023491  369.8203       7.775818  362.7619       10.78098  377.4731       11.22584  -3.815796      4.046983  
1 1 1 6   9  27 o 83.05914 0.9479632 68.96910       1.574043  70.35657       2.267322  67.67829       2.186922  1.611282       1.895926  
1 1 1 6   9  28 o 110.9601 1.489950  123.8427       3.132591  121.3427       5.344054  125.1514       3.866542  -1.749504      2.979901  
1 1 1 6   9  29 o 163.7415 2.466491  268.8542       8.076586  266.4997       11.32847  271.2882       11.51791  -1.454376      4.932982  
1 1 1 6   9  30 o 162.7469 2.107698  267.7202       6.555730  273.1449       8.192472  258.0620       10.93142  4.751419       4.215396  
1 1 1 6   9  31 o 129.3381 1.394105  167.4982       3.606144  168.0251       5.119186  166.9791       5.080749  0.4031067      2.788211  
1 1 1 6   9  32 f 58.52280 0.7456213 34.09067       0.8698224 36.35942       1.296187  32.23198       1.173215  3.523735       1.491243  
1 1 1 6   9  33 o 85.36353 0.9748768 72.84817       1.663063  70.86557       2.296881  75.03291       2.411129  -2.437241      1.949754  
1 1 1 6   9  34 o 99.33522 1.104387  98.66184       2.191831  95.92577       3.017869  101.7162       3.188608  -2.907700      2.208773  
1 1 1 6   9  35 o 14.20227 0.8565140 2.001575       0.2409843 2.430539       0.3577873 1.645384       0.3260290 2.762996       1.713028  
1 1 1 6   9  36 o 17.88096 0.7405839 3.182679       0.2641174 3.444524       0.3914018 2.963763       0.3578817 1.343166       1.481168  
1 1 1 6   9  37 o 139.8910 1.504976  196.3435       4.210519  197.0733       5.982581  195.6273       5.926956  0.5124512      3.009953  
1 1 1 6   9  38 o 68.65698 1.006504  47.29783       1.318753  46.92757       2.223083  47.49886       1.638105  -0.4483643     2.013009  
1 1 1 6   9  39 o 56.11281 0.7447716 31.32279       0.8329232 29.20449       1.122301  33.92017       1.242750  -4.196198      1.489543  
1 1 1 6   9  40 o 44.40586 0.8039846 19.48628       0.6803432 18.92254       0.8370890 20.58334       1.167742  -1.851532      1.607969  
1 1 1 6   9  41 o 23.58509 0.8859220 5.571052       0.4172785 5.988132       0.5964838 5.171305       0.5839574 1.730791       1.771844  
1 1 1 6   9  42 o 44.28487 0.8492250 18.78436       0.7205055 22.62891       1.250805  16.87520       0.8814318 6.468945       1.698450  
1 1 1 6   9  43 f 31.75725 0.6718047 10.07899       0.4260838 10.44156       0.6230482 9.760449       0.5839931 1.069742       1.343609  
1 1 1 6   9  44 o 19.03827 0.8273531 3.661271       0.3116799 3.067934       0.4428869 4.243462       0.4387067 -3.087641      1.654706  
1 1 1 6   9  45 o 77.87903 0.9351422 60.82820       1.456532  60.45518       2.061090  61.20031       2.058607  -0.4786606     1.870284  
1 1 1 6   9  46 o 50.97902 0.7396339 25.99772       0.7530195 26.79616       1.100896  25.29572       1.032274  1.465080       1.479268  
1 1 1 6   9  47 o 49.97932 0.7457832 24.96679       0.7444827 23.49588       1.023635  26.61852       1.084734  -3.117718      1.491566  
1 1 1 6   9  48 o 59.36274 0.8058963 35.30376       0.9563769 33.98829       1.331630  36.70514       1.374427  -2.283325      1.611793  
1 1 1 6   9  49 o 12.04255 2.070489  1.347110       0.5198052 2.562726       0.8469918 0.6126336      0.6583700 7.201137       4.140978  
1 1 1 6   9  50 o 52.01548 0.7791381 27.13717       0.8105357 26.95667       1.144207  27.31898       1.148345  -0.3477020     1.558276  
1 1 1 6   9  51 o 42.78526 0.7502983 18.32660       0.6413876 19.04631       0.9330459 17.68183       0.8831293 1.587898       1.500597  
1 1 1 6   9  52 f 40.02369 0.7519025 16.05566       0.6015979 16.51176       0.8671011 15.63232       0.8353621 1.093979       1.503805  
1 1 1 6   9  53 o 29.92132 0.8119896 8.988876       0.4858622 8.872998       0.6889430 9.103531       0.6852974 -0.3858528     1.623979  
1 1 1 6   9  54 o 22.33320 0.9630973 5.020920       0.4297774 4.810306       0.6110853 5.227060       0.6045613 -0.9344196     1.926195  
1 1 1 6   9  55 o 50.25220 1.073354  25.45948       1.078064  26.48320       1.523411  24.43253       1.525819  2.040989       2.146707  
1 1 1 6   9  56 o 34.63016 1.044489  12.13427       0.7200340 13.27208       1.008297  10.95024       1.028570  3.357533       2.088978  
1 1 1 6   10 0  o 166.5681 1.754541  277.4441       5.843930  280.3945       8.361239  274.6263       8.171166  1.730743       3.509083  
1 1 1 6   10 1  o 71.62830 0.8224811 51.21559       1.176687  49.61256       1.614342  53.03265       1.718732  -2.387192      1.644962  
1 1 1 6   10 2  o 109.4883 1.466893  116.0810       2.902601  111.3296       3.402706  128.7760       5.561963  -7.959984      2.933786  
1 1 1 6   10 3  o 34.19627 0.7094930 11.65883       0.4844942 11.01105       0.6636640 12.39800       0.7089305 -2.027859      1.418986  
1 1 1 6   10 4  o 189.0962 2.808736  357.6501       10.61814  353.6996       14.77486  361.8700       15.27001  -2.156906      5.617472  
1 1 1 6   10 5  o 235.2798 3.472768  554.0579       16.34143  553.5197       23.09124  554.5980       23.12934  -0.2288208     6.945536  
1 1 1 6   10 6  o 107.9779 1.445234  113.4425       2.845624  124.2929       5.355842  109.1747       3.358953  6.992767       2.890467  
1 1 1 6   10 7  o 250.5003 2.612097  626.6215       13.06469  607.8754       17.86811  648.1563       19.15107  -8.030380      5.224194  
1 1 1 6   10 8  o 493.3702 5.121271  2437.939       50.50316  2488.298       72.95844  2391.608       69.97917  9.751801       10.24254  
1 1 1 6   10 9  o 343.5383 3.575108  1181.600       24.56358  1179.733       34.66683  1183.484       34.80990  -0.5442200     7.150217  
1 1 1 6   10 10 o 188.2946 1.976260  354.6913       7.442379  354.8813       10.53076  354.5015       10.51948  0.1007843      3.952520  
1 1 1 6   10 11 o 554.2952 5.798604  3078.995       64.18463  2996.219       87.92987  3173.406       93.90613  -15.84381      11.59721  
1 1 1 6   10 12 o 235.6004 2.460155  555.4073       11.59065  560.6069       16.55802  550.4114       16.23020  2.160141       4.920310  
1 1 1 6   10 13 o 226.9079 2.373159  513.4077       10.73659  493.0278       14.51798  538.0083       15.95058  -9.895020      4.746318  
1 1 1 6   10 14 o 224.4364 2.348583  503.9124       10.53808  496.5752       14.66193  511.7531       15.15658  -3.375153      4.697167  
1 1 1 6   10 15 o 171.9686 1.812357  295.8372       6.232367  292.9344       8.720687  298.8674       8.910163  -1.723007      3.624713  
1 1 1 6   10 16 o 18.13137 0.6082069 3.273408       0.2197933 3.682853       0.3216986 2.914952       0.3010019 2.117521       1.216414  
1 1 1 6   10 17 o 143.0363 1.522205  204.6470       4.353761  202.4317       6.085435  206.9698       6.231455  -1.584702      3.044410  
1 1 1 6   10 18 o 216.3647 2.618877  467.9448       11.31389  453.7784       15.47591  484.2081       16.58180  -7.008667      5.237755  
1 1 1 6   10 19 o 72.35370 0.8431959 52.08337       1.215594  55.44702       1.817194  49.35917       1.635365  4.205803       1.686392  
1 1 1 6   10 20 o 115.7847 1.253400  134.1066       2.902470  133.7369       4.095351  134.4798       4.114137  -0.3206558     2.506800  
1 1 1 6   10 21 o 191.3856 2.012276  366.6475       7.702395  366.2044       10.87856  367.0928       10.90716  -0.2315826     4.024553  
1 1 1 6   10 22 o 145.9282 1.553586  213.0094       4.532994  210.0927       6.321994  216.0956       6.503084  -2.054214      3.107171  
1 1 1 6   10 23 o 274.7054 2.866327  756.2646       15.74623  750.3424       22.07654  762.3973       22.46562  -2.183197      5.732654  
1 1 1 6   10 24 o 204.8309 2.151432  420.1299       8.813320  418.3110       12.40547  421.9834       12.52320  -0.8937378     4.302864  
1 1 1 6   10 25 o 231.8750 2.987170  537.5023       12.98927  544.1489       22.80417  534.3102       15.80354  1.885269       5.974340  
1 1 1 6   10 26 o 142.3714 2.163868  202.9972       6.160399  200.8273       8.616525  205.2661       8.810969  -1.553482      4.327736  
1 1 1 6   10 27 o 84.51607 1.389519  70.00230       2.313540  63.45383       2.976093  80.00339       3.677903  -9.775955      2.779037  
1 1 1 6   10 28 o 150.1336 1.962397  226.0820       5.562236  226.6425       6.825658  224.9742       9.596680  0.6444244      3.924794  
1 1 1 6   10 29 o 99.10712 1.099566  97.39565       2.163935  105.5438       3.306912  91.29387       2.861680  7.179321       2.199133  
1 1 1 6   10 30 o 90.05643 1.015352  81.06853       1.827367  79.03399       2.524689  83.30721       2.648315  -2.369606      2.030705  
1 1 1 6   10 31 o 98.77668 1.097919  97.40153       2.164363  101.4525       3.188436  93.93964       2.947487  3.795685       2.195839  
1 1 1 6   10 32 o 32.10781 0.6237873 10.15195       0.3969247 8.521095       0.5277838 12.27532       0.6022266 -5.844770      1.247575  
1 1 1 6   10 33 o 75.95230 0.8905110 57.29223       1.345748  53.62842       1.795473  61.98919       2.032919  -5.496513      1.781022  
1 1 1 6   10 34 o 27.72652 0.6255541 7.632060       0.3455481 8.515094       0.5150623 6.909320       0.4659742 2.894419       1.251108  
1 1 1 6   10 35 o 40.48406 0.6458378 16.35989       0.5222711 15.35998       0.7198869 17.47099       0.7588588 -2.606045      1.291676  
1 1 1 6   10 36 o 89.13770 1.014923  78.86049       1.796968  85.48483       2.741882  73.87296       2.379141  6.494751       2.029846  
1 1 1 6   10 37 o 83.97598 1.345507  70.71461       2.259762  70.44353       3.183882  70.98977       3.207824  -0.3234787     2.691014  
1 1 1 6   10 38 f 51.95239 0.7181572 26.74490       0.7422132 24.39479       0.9895505 29.76740       1.122219  -5.164944      1.436314  
1 1 1 6   10 39 o 85.57600 0.9867901 73.30850       1.687933  71.52467       2.338964  75.24712       2.438332  -2.168053      1.973580  
1 1 1 6   10 40 o 34.01500 0.6481839 11.52162       0.4398376 12.52408       0.6497115 10.67352       0.5975997 2.717716       1.296368  
1 1 1 6   10 41 o 59.94566 0.7773429 35.91317       0.9309505 34.39783       1.280753  37.61067       1.355555  -2.674919      1.554686  
1 1 1 6   10 42 f 46.44164 0.8315217 21.60978       0.7427636 21.61435       0.9307349 21.60176       1.232589  0.3700638E-01  1.663043  
1 1 1 6   10 43 o 16.42940 1.144176  2.713243       0.3504683 4.197722       0.5280694 1.544645       0.4685292 8.067493       2.288351  
1 1 1 6   10 44 o 11.75568 1.426665  1.408772       0.3281175 1.312778       0.4528298 1.514886       0.4761007 -1.031413      2.853330  
1 1 1 6   10 45 o 47.11942 0.7302061 22.18593       0.6870136 20.53194       0.9469205 24.02421       0.9982809 -3.701122      1.460412  
1 1 1 6   10 46 o 24.76671 0.7513158 6.165899       0.3709280 5.834119       0.5372331 6.468146       0.5127649 -1.282469      1.502632  
1 1 1 6   10 47 o 30.82258 1.149779  9.432384       0.7021059 10.39151       1.086702  8.745141       0.9198753 2.643635       2.299557  
1 1 1 6   10 48 o 35.45600 0.9319662 12.85386       0.6147290 13.29440       0.7505452 11.95607       1.071457  1.930328       1.863932  
1 1 1 6   10 49 o 33.53713 0.7212188 11.19255       0.4818552 12.25808       0.7212306 10.33350       0.6475937 2.860386       1.442438  
1 1 1 6   10 50 o 16.81284 0.9901583 2.855196       0.3309585 2.529388       0.4723039 3.169515       0.4639013 -1.905144      1.980317  
1 1 1 6   10 51 o 39.99056 0.7358791 16.05045       0.5879114 15.72544       0.8464344 16.35339       0.8172007 -0.7891197     1.471758  
1 1 1 6   10 52 f 9.383196 1.726300  0.9060534      0.3384874 0.5658373      0.4632098 1.295892       0.4958416 -3.430474      3.452600  
1 1 1 6   10 53 f 40.63344 0.8743137 16.40820       0.6865714 17.28927       1.140227  15.90705       0.8599409 1.646297       1.748627  
1 1 1 6   10 54 o 35.99838 0.9202839 12.99456       0.6583972 13.32865       0.9937157 12.73315       0.8790256 0.8032379      1.840568  
1 1 1 6   10 55 o 18.84134 1.342584  3.663067       0.4960951 4.225083       0.6778119 3.014656       0.7280475 3.228767       2.685168  
1 1 1 6   10 56 o 8.553026 3.239158  0.000000       0.000000  ?              ?         0.5644442      0.7612309 ?              ?         
1 1 1 6   11 0  o 393.9581 4.092668  1553.979       32.24623  1558.833       45.76489  1549.193       45.44292  1.219849       8.185336  
1 1 1 6   11 1  o 211.9405 2.220768  447.7270       9.383810  469.0510       13.94714  430.0905       12.68403  9.183685       4.441535  
1 1 1 6   11 2  o 224.1056 2.340832  502.4481       10.49181  501.4719       14.80669  503.4326       14.86881  -0.4370422     4.681664  
1 1 1 6   11 3  o 149.9473 1.589845  223.8296       4.749103  213.7163       6.385807  236.3453       7.103936  -7.542343      3.179689  
1 1 1 6   11 4  o 426.7549 4.435861  1818.928       37.76906  1752.465       51.31847  1897.473       55.78806  -16.92999      8.871722  
1 1 1 6   11 5  o 125.0683 1.646680  154.2641       3.812968  150.7942       4.568728  162.2280       6.921505  -4.558960      3.293360  
1 1 1 6   11 6  o 323.4650 4.765324  1048.233       30.81980  1036.311       42.99150  1060.838       44.20539  -3.772003      9.530647  
1 1 1 6   11 7  o 268.9387 3.959314  724.4172       21.29604  722.9660       30.03815  725.8837       30.19678  -0.5401917     7.918629  
1 1 1 6   11 8  o 195.7466 2.897337  383.1549       11.33376  375.0190       15.65704  392.1112       16.42740  -4.357330      5.794673  
1 1 1 6   11 9  f 197.4200 2.922139  389.8855       11.53124  383.0416       15.98936  397.3026       16.64571  -3.603851      5.844279  
1 1 1 6   11 10 o 112.1667 1.521286  118.0687       2.983954  142.0605       6.132166  110.6253       3.415617  13.99419       3.042572  
1 1 1 6   11 11 o 198.6135 2.082857  394.6695       8.272941  391.7459       11.60750  397.6877       11.79414  -1.493912      4.165715  
1 1 1 6   11 12 o 249.2806 2.601771  619.8083       12.93150  595.4066       17.48692  649.2563       19.21012  -10.77727      5.203543  
1 1 1 6   11 13 o 101.4654 1.111449  102.9728       2.255467  103.0772       3.193993  102.8690       3.185448  0.1025238      2.222898  
1 1 1 6   11 14 o 207.7156 2.177116  430.7543       9.025043  416.4472       12.29186  447.4885       13.29360  -7.458115      4.354231  
1 1 1 6   11 15 o 73.54065 0.8537101 53.83246       1.251412  51.12803       1.687623  57.13597       1.865200  -4.083687      1.707420  
1 1 1 6   11 16 o 503.5356 5.246432  2550.704       52.82762  2572.271       75.47363  2529.988       73.96819  4.136139       10.49286  
1 1 1 6   11 17 o 219.5490 3.260444  483.1781       14.31643  483.9507       20.29362  482.4126       20.19970  0.3478394      6.520888  
1 1 1 6   11 18 o 262.8973 2.744792  692.2507       14.43117  696.2700       20.53828  688.3314       20.28164  1.504333       5.489583  
1 1 1 6   11 19 o 117.3614 1.275339  135.8471       2.960048  150.4616       4.620447  125.6736       3.855030  10.55256       2.550678  
1 1 1 6   11 20 o 190.0262 1.998837  361.4611       7.596623  361.5566       10.75088  361.3660       10.73563  0.4989624E-01  3.997674  
1 1 1 6   11 21 o 192.8362 2.029615  371.5973       7.815904  360.9017       10.70756  383.7955       11.43498  -5.922348      4.059230  
1 1 1 6   11 22 o 371.7866 3.875295  1388.012       28.81310  1378.727       40.43010  1397.594       41.07328  -2.512390      7.750589  
1 1 1 6   11 23 o 120.1959 1.857316  144.5001       4.461844  141.4570       6.175302  147.8241       6.453918  -2.643082      3.714632  
1 1 1 6   11 24 o 160.8842 2.425378  258.6569       7.786903  269.1145       11.47785  249.7390       10.59924  5.996872       4.850755  
1 1 1 6   11 25 o 91.48241 1.281820  81.98924       2.141072  79.57323       2.534158  88.01583       4.002392  -4.590233      2.563641  
1 1 1 6   11 26 o 112.4861 1.228453  126.2998       2.758104  121.9739       3.759797  131.3401       4.058392  -4.157692      2.456905  
1 1 1 6   11 27 o 139.6225 1.495191  195.0912       4.174258  192.6464       5.827569  197.6673       5.982047  -1.794189      2.990381  
1 1 1 6   11 28 o 153.7692 1.638151  236.5726       5.033722  242.2670       7.299920  231.4103       6.950447  3.518799       3.276301  
1 1 1 6   11 29 o 89.53497 1.012371  80.21828       1.812840  80.33360       2.569095  80.10394       2.558423  0.1280060      2.024741  
1 1 1 6   11 30 o 88.67703 1.004152  77.57451       1.761587  86.15662       2.746354  71.57533       2.296174  8.209328       2.008304  
1 1 1 6   11 31 o 102.0500 1.132010  104.2510       2.310230  105.1519       3.293829  103.3787       3.241125  0.8668976      2.264021  
1 1 1 6   11 32 o 156.0062 1.662559  243.6253       5.179901  251.3674       7.572832  236.8181       7.100895  4.635849       3.325118  
1 1 1 6   11 33 o 58.74648 0.7494378 34.19379       0.8746518 37.43315       1.334224  31.75258       1.158248  4.829288       1.498876  
1 1 1 6   11 34 o 109.8203 1.208064  120.4965       2.647833  115.9556       3.606102  125.8089       3.900392  -4.469910      2.416128  
1 1 1 6   11 35 o 27.25716 0.6422491 7.434748       0.3497293 6.981276       0.4912992 7.900584       0.4979519 -1.686148      1.284498  
1 1 1 6   11 36 o 50.23788 0.9414471 25.26490       0.9456607 24.96873       1.318951  25.57820       1.356575  -0.6046753     1.882894  
1 1 1 6   11 37 o 25.54614 0.6673527 6.293238       0.3335261 8.516543       0.5270520 4.808227       0.4307434 7.254358       1.334705  
1 1 1 6   11 38 o 30.30135 0.6444262 9.170212       0.3896379 8.328164       0.5389245 10.09242       0.5639921 -2.910069      1.288852  
1 1 1 6   11 39 f 76.26164 0.9059184 58.22358       1.381102  59.20685       1.989476  57.30893       1.918787  1.239815       1.811837  
1 1 1 6   11 40 o 97.98837 1.104497  96.16537       2.162618  93.53043       2.982584  99.08636       3.140315  -2.820755      2.208994  
1 1 1 6   11 41 f 22.04161 0.7524011 4.901529       0.3275350 3.996750       0.4615988 5.819007       0.4648270 -4.133461      1.504802  
1 1 1 6   11 42 o 51.08072 0.7305082 26.03045       0.7447984 24.42691       1.015556  27.89673       1.095601  -3.390377      1.461016  
1 1 1 6   11 43 o 71.96883 0.8825737 51.91818       1.270330  51.45016       1.792765  52.39014       1.800294  -0.6523209     1.765147  
1 1 1 6   11 44 o 42.25010 0.7551999 17.57149       0.6267680 16.33624       0.8024065 19.50462       1.003804  -3.731346      1.510400  
1 1 1 6   11 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   11 46 o 25.94391 1.829863  6.774553       0.9494761 6.774553       0.9494761 ?              ?         ?              ?         
1 1 1 6   11 47 o 57.55198 0.8001986 33.18494       0.9202378 33.77277       1.334472  32.65194       1.270694  0.9662971      1.600397  
1 1 1 6   11 48 o 19.62581 0.8934675 3.903856       0.3455890 3.146359       0.4892782 4.658010       0.4881969 -3.851332      1.786935  
1 1 1 6   11 49 o 32.14672 0.7398740 10.37040       0.4749905 9.698686       0.6703689 11.04764       0.6731157 -2.097765      1.479748  
1 1 1 6   11 50 o 25.72217 0.7842134 6.604633       0.4020101 7.009224       0.5998738 6.274791       0.5416329 1.419449       1.568427  
1 1 1 6   11 51 o 40.84838 0.7747324 16.82687       0.6294716 15.63932       0.9179747 17.88087       0.8648163 -2.751797      1.549465  
1 1 1 6   11 52 o 59.42925 1.010130  35.71983       1.187690  34.15336       1.794538  36.94081       1.584329  -2.389912      2.020260  
1 1 1 6   11 53 o 38.63160 0.9737036 14.94666       0.7506645 13.92479       1.022650  16.14054       1.105368  -2.850044      1.947407  
1 1 1 6   11 54 o 39.64473 1.018049  15.77487       0.8040476 15.27920       1.083170  16.38321       1.199970  -1.364185      2.036098  
1 1 1 6   11 55 o 22.39902 1.226542  5.169317       0.5382628 6.034234       0.7381697 4.187260       0.7865704 4.137270       2.453085  
1 1 1 6   11 56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   12 0  o 438.2632 4.549305  1924.460       39.87519  1918.281       56.19723  1930.724       56.58889  -1.413635      9.098610  
1 1 1 6   12 1  o 190.1879 1.996693  361.1798       7.583055  373.3376       11.10239  350.5486       10.38195  5.986313       3.993386  
1 1 1 6   12 2  o 383.5128 3.983417  1468.594       30.47240  1532.679       45.10504  1414.785       41.33084  15.31741       7.966833  
1 1 1 6   12 3  o 278.6579 2.901310  777.0896       16.16787  783.0814       23.05872  771.2950       22.67573  2.110840       5.802619  
1 1 1 6   12 4  o 164.3240 1.733971  269.9531       5.695820  274.8706       8.211769  265.3937       7.907080  2.881592       3.467942  
1 1 1 6   12 5  o 133.5493 1.425747  178.1174       3.803282  183.6392       5.549784  173.2279       5.222436  3.896057       2.851495  
1 1 1 6   12 6  o 205.7460 2.157018  423.2471       8.870451  415.4190       12.28873  431.7631       12.81739  -3.967026      4.314036  
1 1 1 6   12 7  o 158.9337 1.680564  251.9907       5.329560  243.0574       7.247189  262.5117       7.864924  -6.115540      3.361128  
1 1 1 6   12 8  o 72.36525 0.8416955 52.28879       1.216734  50.75929       1.671973  54.01067       1.774000  -2.246094      1.683391  
1 1 1 6   12 9  o 235.6808 2.996681  559.9745       13.48791  569.2808       16.82272  543.2252       22.56878  5.614975       5.993361  
1 1 1 6   12 10 o 216.3395 3.199327  468.7290       13.84172  465.6476       19.43019  471.9041       19.72341  -1.440857      6.398654  
1 1 1 6   12 11 o 235.6973 3.480875  554.5728       16.35580  532.3113       22.09594  581.5538       24.32568  -10.40021      6.961749  
1 1 1 6   12 12 o 338.6119 4.988930  1151.736       33.78398  1144.645       47.45242  1159.024       48.10988  -2.101929      9.977859  
1 1 1 6   12 13 o 201.8938 2.559308  413.4079       10.00310  386.1770       16.04235  430.7306       12.79515  -11.09286      5.118616  
1 1 1 6   12 14 o 278.8097 2.908159  778.6514       16.21370  770.8355       22.68029  786.8207       23.18737  -2.855103      5.816319  
1 1 1 6   12 15 o 312.5284 3.255098  978.8512       20.34175  967.8250       28.41393  990.4440       29.13478  -3.599762      6.510196  
1 1 1 6   12 16 o 179.2404 1.893520  320.4953       6.771080  307.7665       9.193314  335.5870       10.01027  -7.748550      3.787040  
1 1 1 6   12 17 o 193.6697 2.035561  375.0900       7.878518  367.2764       10.89021  383.6701       11.41190  -4.223969      4.071121  
1 1 1 6   12 18 o 318.7764 3.321365  1017.625       21.15223  1044.999       30.78686  993.1500       29.11098  8.084686       6.642730  
1 1 1 6   12 19 o 111.9658 1.218939  125.3360       2.728275  123.1278       3.788301  127.7154       3.932462  -2.047050      2.437878  
1 1 1 6   12 20 o 133.9630 1.783515  176.1383       4.372695  188.2021       8.131854  171.2311       5.186320  6.284729       3.567031  
1 1 1 6   12 21 o 211.0000 3.142139  446.3981       13.25736  441.6450       18.53593  451.3761       18.96906  -2.291840      6.284278  
1 1 1 6   12 22 o 170.0473 2.555045  289.4846       8.682775  296.1384       12.58048  283.4319       11.99876  3.719742       5.110089  
1 1 1 6   12 23 o 46.01924 0.6620981 21.16765       0.6091903 20.63017       0.8487620 21.73872       0.8748818 -1.204247      1.324196  
1 1 1 6   12 24 o 135.8506 1.457181  184.2467       3.951202  177.9536       5.386368  191.5783       5.813764  -5.006210      2.914361  
1 1 1 6   12 25 o 146.5853 1.565027  215.0310       4.586896  212.2173       6.396112  218.0103       6.581566  -1.971466      3.130054  
1 1 1 6   12 26 o 100.4666 1.116197  100.7703       2.239096  97.30673       3.061702  104.7526       3.282987  -3.701477      2.232394  
1 1 1 6   12 27 o 92.99838 1.045813  86.54028       1.945159  86.28742       2.743683  86.79582       2.758116  -0.2730331     2.091625  
1 1 1 6   12 28 o 156.8866 1.670293  246.4011       5.237739  241.6066       7.256702  251.6153       7.567640  -3.177719      3.340585  
1 1 1 6   12 29 o 91.54599 1.032454  83.84080       1.889776  85.23493       2.713127  82.52707       2.633735  1.476730       2.064909  
1 1 1 6   12 30 o 65.82713 0.8070594 43.19830       1.060021  41.13897       1.439903  45.63487       1.566245  -3.411652      1.614119  
1 1 1 6   12 31 o 76.37094 0.8943110 57.94297       1.358477  62.32806       2.055711  54.54345       1.810011  5.088982       1.788622  
1 1 1 6   12 32 o 38.51532 0.6347315 14.53646       0.4836130 17.07774       0.7541817 12.76178       0.6302471 5.599651       1.269463  
1 1 1 6   12 33 o 48.60909 0.6843993 23.48766       0.6631271 21.65565       0.8950567 25.71684       0.9873243 -4.174526      1.368799  
1 1 1 6   12 34 o 70.23421 0.8485761 48.92235       1.184881  45.41277       1.574238  53.50888       1.799640  -5.754265      1.697152  
1 1 1 6   12 35 o 31.85581 0.7536006 10.04842       0.4720460 10.72988       0.7489145 9.599232       0.6080356 1.768951       1.507201  
1 1 1 6   12 36 o 61.83611 0.7839837 37.87305       0.9626732 41.59476       1.472284  35.09352       1.272347  5.247868       1.567967  
1 1 1 6   12 37 o 42.23224 0.6617160 17.71753       0.5563391 19.22820       0.8374044 16.52393       0.7443543 3.197536       1.323432  
1 1 1 6   12 38 f 31.06991 0.6534828 9.314182       0.3986958 11.96252       0.6367296 7.606137       0.5113498 7.004871       1.306966  
1 1 1 6   12 39 o 32.40294 0.6539553 10.42490       0.4220598 11.54679       0.6319099 9.521335       0.5671011 3.122028       1.307911  
1 1 1 6   12 40 o 30.03957 0.6673406 9.041854       0.4003807 8.493276       0.5661312 9.590791       0.5663165 -1.826773      1.334681  
1 1 1 6   12 41 o 15.84219 0.8829712 2.490382       0.2761371 3.117694       0.4117025 1.977405       0.3722977 3.595430       1.765942  
1 1 1 6   12 42 o 112.8946 1.255641  127.7289       2.829889  122.9482       3.862494  133.2690       4.157955  -4.531494      2.511282  
1 1 1 6   12 43 o 60.03667 1.026318  37.18589       1.158798  33.02282       1.951186  39.45435       1.440318  -5.415821      2.052636  
1 1 1 6   12 44 o 32.92054 1.120916  10.91025       0.7353517 10.57808       1.077274  11.20006       1.006244  -0.9548340     2.241832  
1 1 1 6   12 45 o 66.44912 1.255286  44.43370       1.667592  43.94871       2.384268  44.89816       2.333223  -0.7231140     2.510572  
1 1 1 6   12 46 o 55.89767 0.7806346 31.32402       0.8726186 31.27526       1.242724  31.37145       1.225593  -0.8797073E-01 1.561269  
1 1 1 6   12 47 o 68.71716 1.187181  47.29311       1.626613  44.93215       2.198251  50.15017       2.418204  -3.757263      2.374362  
1 1 1 6   12 48 o 76.53822 1.285950  59.05112       1.968395  58.73788       2.767804  59.37168       2.799934  -0.4068985     2.571900  
1 1 1 6   12 49 o 26.86245 0.7819561 7.174861       0.4180770 7.902450       0.6301295 6.602713       0.5587801 2.409380       1.563912  
1 1 1 6   12 50 o 16.68982 1.043554  2.783455       0.3445421 2.922147       0.5331187 2.683978       0.4515012 0.6973896      2.087107  
1 1 1 6   12 51 o 30.58359 0.8891351 9.422686       0.5347565 9.243319       0.8318683 9.549009       0.6981134 -0.5235443     1.778270  
1 1 1 6   12 52 o 56.39014 1.076667  31.92065       1.211926  30.26882       1.652444  33.84341       1.782818  -3.138203      2.153334  
1 1 1 6   12 53 o 39.19398 0.9647906 15.45276       0.7561105 15.00641       1.063787  15.90849       1.074903  -1.148331      1.929581  
1 1 1 6   12 54 o 31.54625 0.9824884 9.964089       0.6178804 8.970250       0.8412821 11.12804       0.9104394 -3.402914      1.964977  
1 1 1 6   12 55 f 29.98875 2.208901  0.000000       0.000000  ?              ?         9.147294       1.324844  ?              ?         
1 1 1 6   13 0  o 68.74988 0.8226971 47.26941       1.131163  47.27161       1.592790  47.26717       1.606714  0.3280640E-02  1.645394  
1 1 1 6   13 1  o 151.0230 1.601516  228.0844       4.836105  225.2630       6.749400  231.0613       6.932860  -1.918350      3.203031  
1 1 1 6   13 2  o 143.8570 1.530080  206.6265       4.395551  213.6602       6.433002  200.4669       6.020024  4.582672       3.060160  
1 1 1 6   13 3  o 286.7909 2.986199  823.3630       17.12643  816.7621       24.00949  830.2010       24.43702  -2.336945      5.972397  
1 1 1 6   13 4  o 184.2680 1.937520  339.5993       7.138276  344.4741       10.24806  335.0052       9.948686  2.566513       3.875040  
1 1 1 6   13 5  o 130.4367 1.398988  169.6952       3.640672  163.6150       4.946046  176.8850       5.378468  -5.083664      2.797976  
1 1 1 6   13 6  f 282.5716 2.943762  798.6613       16.62135  818.3251       24.12897  780.9044       22.92916  6.602722       5.887523  
1 1 1 6   13 7  o 283.0657 2.949257  801.9639       16.68956  789.5772       23.20132  815.2463       24.02545  -4.520569      5.898514  
1 1 1 6   13 8  f 206.9226 2.168395  428.1693       8.967735  437.2184       12.97053  419.8821       12.41246  4.181946       4.336789  
1 1 1 6   13 9  o 156.5296 1.659419  245.0790       5.193952  242.3913       7.259915  247.8970       7.433889  -1.756851      3.318839  
1 1 1 6   13 10 o 268.4800 2.800595  720.1110       15.00522  696.2737       20.43021  748.0303       22.11040  -9.606354      5.601190  
1 1 1 6   13 11 f 408.9433 4.256111  1678.736       34.80948  1673.237       49.04614  1684.318       49.41199  -1.343079      8.512222  
1 1 1 6   13 12 o 157.7222 2.055771  245.8935       6.006978  240.9280       7.205499  257.2082       10.87690  -5.101654      4.111543  
1 1 1 6   13 13 f 150.0746 2.245498  225.4446       6.738994  227.7272       9.623237  223.2481       9.440153  1.488998       4.490996  
1 1 1 6   13 14 o 198.2785 2.939137  393.4169       11.64333  403.8843       16.93272  384.0286       16.03614  4.986465       5.878274  
1 1 1 6   13 15 o 116.7865 2.164264  137.5221       4.827074  133.1588       8.073081  139.9501       6.022142  -2.942200      4.328528  
1 1 1 6   13 16 o 215.2572 2.743860  467.7633       11.30350  451.6943       18.80198  476.8581       14.14514  -5.951996      5.487721  
1 1 1 6   13 17 o 225.7562 2.879942  516.3626       12.49657  489.7392       20.48093  532.1528       15.77291  -9.513733      5.759885  
1 1 1 6   13 18 o 253.9457 3.767032  647.3044       19.13240  646.2049       27.02534  648.4092       27.08936  -0.4317322     7.534064  
1 1 1 6   13 19 o 162.1405 2.442604  262.8901       7.909635  255.4020       10.84453  271.4013       11.56170  -4.916199      4.885209  
1 1 1 6   13 20 o 90.57688 1.269691  81.43900       2.132344  80.39091       2.563832  83.79079       3.840527  -1.859650      2.539382  
1 1 1 6   13 21 o 181.2705 1.912899  328.1469       6.920231  341.1078       10.19337  317.0661       9.425090  6.614716       3.825798  
1 1 1 6   13 22 o 59.51858 0.7663344 35.38770       0.9113438 34.48216       1.255985  36.39458       1.324405  -1.605923      1.532669  
1 1 1 6   13 23 o 145.3291 1.553298  209.6703       4.484484  197.3648       5.942957  225.9425       6.834033  -9.812241      3.106597  
1 1 1 6   13 24 o 30.88810 0.6305592 9.525249       0.3891484 10.11282       0.5632557 8.988651       0.5382720 1.819489       1.261118  
1 1 1 6   13 25 o 84.95813 0.9746650 72.17082       1.655419  70.83350       2.300979  73.60573       2.383429  -1.630119      1.949330  
1 1 1 6   13 26 f 147.3586 1.574702  217.2129       4.636366  212.0396       6.389351  222.9664       6.738170  -3.695908      3.149405  
1 1 1 6   13 27 o 55.60231 0.7377135 30.91731       0.8201805 31.37978       1.175432  30.47849       1.144988  0.8099442      1.475427  
1 1 1 6   13 28 o 93.41713 1.051149  87.33932       1.963831  86.82213       2.762589  87.86768       2.792201  -0.5587387     2.102298  
1 1 1 6   13 29 o 56.10845 0.7353535 31.46946       0.8247860 30.61085       1.144740  32.39635       1.189387  -1.590050      1.470707  
1 1 1 6   13 30 o 51.23875 0.7558462 25.57835       0.7527350 23.55477       0.9430426 29.13123       1.249571  -5.433567      1.511692  
1 1 1 6   13 31 o 78.54753 0.9185418 61.31657       1.435249  65.90111       2.169939  57.75108       1.913633  5.178108       1.837084  
1 1 1 6   13 32 o 92.90768 1.049407  86.41408       1.949578  85.15462       2.724327  87.73605       2.791126  -1.386063      2.098815  
1 1 1 6   13 33 o 31.44309 0.6433766 9.714842       0.4001662 7.994740       0.5301922 11.99180       0.6100051 -6.353506      1.286753  
1 1 1 6   13 34 o 26.48355 0.6532934 7.021304       0.3458376 6.910674       0.4950284 7.126778       0.4833570 -0.4084053     1.306587  
1 1 1 6   13 35 o 50.59940 0.7088149 25.49140       0.7154318 23.67561       0.9709005 27.64875       1.058285  -3.922554      1.417630  
1 1 1 6   13 36 o 58.63316 0.7622865 34.38034       0.8931152 35.22006       1.296065  33.62103       1.232447  1.360374       1.524573  
1 1 1 6   13 37 o 51.94522 0.7200841 26.45617       0.7387478 30.58316       1.162479  23.66039       0.9567955 6.653137       1.440168  
1 1 1 6   13 38 o 71.16145 0.8672922 50.69735       1.233767  51.54946       1.777792  49.90567       1.713598  1.150597       1.734584  
1 1 1 6   13 39 o 7.577436 1.465347  0.6026646      0.2329461 0.4379927      0.3470044 0.7377515      0.3142908 -1.653353      2.930695  
1 1 1 6   13 40 o 20.88699 0.7492313 4.314716       0.3105519 5.147510       0.4671262 3.655110       0.4157271 3.568777       1.498463  
1 1 1 6   13 41 o 71.77538 1.115575  51.95994       1.487970  51.02135       2.636982  52.39838       1.802311  -1.055428      2.231151  
1 1 1 6   13 42 o 89.37398 1.503521  80.46181       2.687434  79.64108       3.795763  81.28674       3.805467  -0.9189911     3.007043  
1 1 1 6   13 43 o 28.71618 0.7097691 8.252162       0.4074168 8.550639       0.5878159 7.976211       0.5651981 0.9981670      1.419538  
1 1 1 6   13 44 o 38.27045 0.7001374 14.66785       0.5354351 13.84435       0.7492976 15.52712       0.7653984 -2.196991      1.400275  
1 1 1 6   13 45 o 7.465825 2.176255  0.1827789      0.5201110 0.1884393      0.7989311 0.1786154      0.6851947 0.5153022      4.352511  
1 1 1 6   13 46 o 44.33597 0.7250349 19.64655       0.6418433 18.18721       0.8840857 21.27297       0.9333212 -3.474705      1.450070  
1 1 1 6   13 47 o 48.96078 0.7479973 24.02337       0.7322224 23.21626       1.023917  24.86812       1.047524  -1.683956      1.495995  
1 1 1 6   13 48 o 17.31225 0.9479687 3.014795       0.3268066 2.962700       0.4829411 3.058802       0.4438750 -0.2840729     1.895937  
1 1 1 6   13 49 o 50.78020 1.005014  25.88100       1.019819  26.92102       1.480113  24.94101       1.407138  1.936127       2.010028  
1 1 1 6   13 50 o 39.47131 0.9338925 15.64318       0.7368577 16.05975       1.063223  15.25819       1.022140  1.007725       1.867785  
1 1 1 6   13 51 o 24.23732 1.036637  5.925679       0.5001379 5.228643       0.7027729 6.640979       0.7119194 -2.911467      2.073273  
1 1 1 6   13 52 o 22.00501 1.076221  4.880053       0.4733670 4.781950       0.6766587 4.974080       0.6624516 -0.4399662     2.152442  
1 1 1 6   13 53 f 21.22579 1.133109  4.579810       0.4740966 3.670506       0.6664037 5.511673       0.6746196 -4.334862      2.266218  
1 1 1 6   13 54 o 44.24206 1.234204  19.79738       1.023724  19.72616       1.789432  19.83203       1.248157  -0.2799377     2.468409  
1 1 1 6   14 0  o 94.34120 1.045466  88.32178       1.960775  95.17302       2.976306  83.06814       2.606294  6.413368       2.090933  
1 1 1 6   14 1  o 123.5971 1.329982  152.2531       3.277927  146.0759       4.435665  159.6855       4.865466  -5.502419      2.659963  
1 1 1 6   14 2  o 90.60329 1.015160  82.10350       1.839523  82.19974       2.597389  82.00667       2.605589  0.1065903      2.030321  
1 1 1 6   14 3  f 95.50533 1.057636  91.11863       2.018219  88.87010       2.781113  93.62005       2.933352  -2.485802      2.115273  
1 1 1 6   14 4  f 198.7339 2.086144  393.6489       8.262967  377.2795       11.14425  413.6362       12.31437  -9.132217      4.172287  
1 1 1 6   14 5  o 22.95848 0.5880578 5.259758       0.2692676 5.840145       0.3900822 4.731495       0.3721538 2.414402       1.176116  
1 1 1 6   14 6  o 143.8967 1.532498  206.2618       4.394551  197.2951       5.921336  217.2563       6.556801  -6.929398      3.064996  
1 1 1 6   14 7  o 178.0899 1.877109  317.2274       6.682961  312.3106       9.288555  322.5042       9.622559  -2.857422      3.754218  
1 1 1 6   14 8  o 34.89492 0.5817078 12.17231       0.4058868 12.48163       0.5807785 11.87700       0.5674740 0.8662949      1.163416  
1 1 1 6   14 9  o 386.7856 4.026397  1500.378       31.12697  1472.027       43.10493  1531.273       44.99632  -7.597992      8.052794  
1 1 1 6   14 10 o 142.7422 1.520556  203.8606       4.340948  203.6835       6.134248  204.0382       6.143816  -0.1241150     3.041113  
1 1 1 6   14 11 o 122.6309 1.320875  149.9139       3.230292  143.9128       4.373741  157.1160       4.791424  -5.378944      2.641750  
1 1 1 6   14 12 o 121.3403 1.311063  147.2768       3.181431  146.3008       4.465050  148.2833       4.534191  -0.8162231     2.622126  
1 1 1 6   14 13 o 126.9280 1.367007  161.1342       3.469499  163.1093       4.968310  159.2542       4.847158  1.517296       2.734014  
1 1 1 6   14 14 f 161.7174 2.434673  261.8037       7.872103  265.6614       11.30417  258.1713       10.96906  2.308777       4.869346  
1 1 1 6   14 15 o 68.80191 1.205721  47.18168       1.655319  44.90338       2.249762  49.87094       2.444265  -3.607925      2.411443  
1 1 1 6   14 16 o 333.5926 6.979115  1120.011       46.56362  1120.011       46.56362  ?              ?         ?              ?         
1 1 1 6   14 17 o 135.1299 2.879048  182.8140       7.780910  182.8140       7.780910  ?              ?         ?              ?         
1 1 1 6   14 18 o 84.50780 1.333328  71.44121       2.253211  72.16409       3.219375  70.74710       3.154653  0.8374557      2.666655  
1 1 1 6   14 19 o 112.8328 1.723006  127.4251       3.888070  128.1526       5.528935  126.7133       5.468681  0.6366501      3.446011  
1 1 1 6   14 20 f 143.8882 1.873362  207.8437       5.124992  205.4727       8.700844  209.1033       6.341897  -1.313843      3.746724  
1 1 1 6   14 21 f 146.2330 1.561409  213.8356       4.562898  218.8552       6.614028  209.2770       6.303025  3.268448       3.122817  
1 1 1 6   14 22 o 19.02732 0.7847918 3.612571       0.2876450 5.064753       0.4283013 2.419421       0.3882275 6.950936       1.569584  
1 1 1 6   14 23 o 51.01584 0.7034121 25.91783       0.7158970 27.66099       1.059385  24.45275       0.9712136 3.143341       1.406824  
1 1 1 6   14 24 o 209.0602 2.198579  437.8760       9.186978  429.5096       12.72593  446.9818       13.27623  -4.155655      4.397157  
1 1 1 6   14 25 o 119.4612 1.299805  142.6310       3.101457  147.1608       4.527597  138.6261       4.257133  3.564339       2.599611  
1 1 1 6   14 26 o 144.4382 1.546837  208.9765       4.468447  208.9381       6.319694  209.0149       6.318983  -0.2662659E-01 3.093674  
1 1 1 6   14 27 o 56.85165 0.7448153 32.09496       0.8431190 34.90654       1.267550  29.86395       1.129121  4.431824       1.489631  
1 1 1 6   14 28 o 16.24605 0.7663662 2.634583       0.2486990 2.771665       0.3628272 2.513098       0.3415623 0.7952452      1.532732  
1 1 1 6   14 29 o 76.69997 0.9037746 58.41928       1.378687  54.78685       1.836011  63.11569       2.087657  -5.421341      1.807549  
1 1 1 6   14 30 o 107.9674 1.193035  116.5454       2.572242  120.6801       3.765203  112.9270       3.522331  3.578003       2.386070  
1 1 1 6   14 31 f 67.91939 0.8325150 45.43644       1.119335  41.29173       1.461103  51.32473       1.741520  -7.375267      1.665030  
1 1 1 6   14 32 o 68.13378 0.8324593 46.37455       1.132691  48.10312       1.657418  44.85975       1.551552  2.375778       1.664919  
1 1 1 6   14 33 o 38.12523 0.6444448 14.50353       0.4905531 13.40832       0.6753377 15.72687       0.7137485 -3.039375      1.288890  
1 1 1 6   14 34 o 42.69475 0.6709042 17.82926       0.5658674 21.06037       0.8886390 15.62547       0.7338961 6.358883       1.341808  
1 1 1 6   14 35 o 35.03040 0.6475182 12.26186       0.4528909 11.29345       0.6282126 13.30983       0.6535048 -2.876961      1.295036  
1 1 1 6   14 36 o 34.83067 0.6523991 12.10058       0.4531693 10.88104       0.6228846 13.47198       0.6605269 -3.717617      1.304798  
1 1 1 6   14 37 o 27.16539 0.6695251 7.386111       0.3636063 7.413826       0.5222656 7.360041       0.5065295 0.9817123E-01  1.339050  
1 1 1 6   14 38 o 49.48438 0.7137352 24.20525       0.7017449 21.68657       0.9308199 27.52177       1.068122  -5.887577      1.427470  
1 1 1 6   14 39 o 24.00900 1.069589  6.174307       0.4256338 5.079177       0.8596962 6.529915       0.4898890 -3.057041      2.139179  
1 1 1 6   14 40 o 32.78426 1.125476  10.80891       0.7356952 10.49335       1.074195  11.08770       1.009661  -0.9140816     2.250953  
1 1 1 6   14 41 o 18.06221 0.8412632 3.282318       0.3025403 3.103969       0.4416802 3.439965       0.4152548 -0.9326191     1.682526  
1 1 1 6   14 42 o 14.07225 1.006204  2.020171       0.2782111 1.753897       0.4162968 2.235078       0.3739941 -1.714881      2.012409  
1 1 1 6   14 43 o 43.87140 0.7155748 19.26706       0.6271311 19.62544       0.9125724 18.94636       0.8632743 0.7692108      1.431150  
1 1 1 6   14 44 o 38.53285 0.7047294 14.87475       0.5427954 14.93924       0.7816996 14.81471       0.7542912 0.1588936      1.409459  
1 1 1 6   14 45 o 58.26669 0.7975218 33.98626       0.9282092 35.05516       1.354180  33.03902       1.274787  1.720818       1.595044  
1 1 1 6   14 46 o 10.97858 1.354940  1.298948       0.2793614 0.8542691      0.4102177 1.683540       0.3814971 -3.928486      2.709880  
1 1 1 6   14 47 o 20.53785 0.8440380 4.213090       0.3458078 4.521533       0.5118094 3.954008       0.4690726 1.375301       1.688076  
1 1 1 6   14 48 o 67.61777 0.9279927 45.68456       1.238758  47.36876       1.927248  44.49889       1.617034  2.070358       1.855985  
1 1 1 6   14 49 o 23.48354 0.9446590 5.487854       0.4399666 5.949624       0.6765344 5.149439       0.5791650 1.685556       1.889318  
1 1 1 6   14 50 o 34.86246 0.9344962 12.17915       0.6505489 13.03014       0.9512172 11.43132       0.8916948 2.281227       1.868992  
1 1 1 6   14 51 o 29.33374 0.9574273 8.646738       0.5613400 8.225464       0.7826445 9.093044       0.8055609 -1.473978      1.914855  
1 1 1 6   14 52 o 48.61735 1.017942  23.76522       0.9890363 22.89132       1.366757  24.72589       1.433012  -1.870850      2.035884  
1 1 1 6   14 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   14 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   15 0  f 57.13237 0.7247430 32.24747       0.8216393 29.63414       1.082417  35.80056       1.262121  -5.395672      1.449486  
1 1 1 6   15 1  o 83.01425 0.9418572 68.82058       1.561947  66.85004       2.147408  71.03429       2.276055  -2.519325      1.883714  
1 1 1 6   15 2  o 185.5659 1.952696  344.6239       7.247062  344.2863       10.23781  344.9630       10.26001  -0.1820221     3.905391  
1 1 1 6   15 3  o 308.0067 3.208546  948.8783       19.73030  920.3490       26.96453  981.7556       28.94649  -9.919525      6.417093  
1 1 1 6   15 4  o 99.97544 1.102157  99.95016       2.203233  98.79509       3.075494  101.1679       3.157819  -1.185989      2.204314  
1 1 1 6   15 5  o 228.5542 2.392073  522.8876       10.93142  516.4528       15.24934  529.6896       15.67831  -2.887512      4.784147  
1 1 1 6   15 6  o 262.4179 2.739348  689.1945       14.36615  704.8546       20.80823  674.9310       19.85863  5.680481       5.478697  
1 1 1 6   15 7  o 97.18152 1.074469  94.10353       2.082212  99.02174       3.091432  90.01962       2.817042  4.629265       2.148937  
1 1 1 6   15 8  f 186.0592 1.959210  346.0117       7.282421  337.2919       10.01882  355.7794       10.60386  -4.959229      3.918421  
1 1 1 6   15 9  o 202.3374 2.125281  409.7087       8.598644  414.5573       12.31349  405.0940       12.01273  2.333527       4.250562  
1 1 1 6   15 10 o 321.5401 4.094455  1043.075       25.03961  1020.670       42.35474  1055.112       31.04595  -5.723602      8.188910  
1 1 1 6   15 11 o 42.68766 0.9901077 18.22680       0.8453001 18.26709       1.193776  18.18628       1.197101  0.9468079E-01  1.980215  
1 1 1 6   15 12 o 88.02941 1.428914  76.97238       2.502189  72.47348       3.335776  82.76047       3.783650  -5.837234      2.857827  
1 1 1 6   15 13 o 152.1432 2.301217  231.7899       7.002193  232.3705       9.933114  231.2164       9.872359  0.3780060      4.602434  
1 1 1 6   15 14 o 161.4539 1.712400  260.6255       5.524824  255.0464       7.628557  266.7796       8.012108  -3.627335      3.424799  
1 1 1 6   15 15 o 299.6251 3.124832  900.2551       18.72543  902.1852       26.54129  898.3423       26.42263  0.6375427      6.249665  
1 1 1 6   15 16 o 92.78700 1.041152  85.86512       1.927635  82.56646       2.620673  89.75360       2.845341  -3.870415      2.082304  
1 1 1 6   15 17 f 78.34796 0.9125633 60.56794       1.416313  67.33409       2.194831  55.74017       1.853975  7.395508       1.825127  
1 1 1 6   15 18 o 102.8186 1.136242  105.7579       2.336457  106.3161       3.320916  105.2107       3.287832  0.5370712      2.272485  
1 1 1 6   15 19 o 150.6139 1.973717  224.6594       5.519433  220.5361       6.635860  233.9159       9.942457  -4.356918      3.947434  
1 1 1 6   15 20 o 192.6300 2.866580  372.1815       11.03952  378.3816       15.87966  366.3821       15.35787  3.092194       5.733160  
1 1 1 6   15 21 o 132.9327 2.008703  176.3858       5.324299  169.1869       7.201399  185.0654       7.907417  -5.949478      4.017406  
1 1 1 6   15 22 o 121.5389 1.848573  147.9530       4.492981  149.2095       6.411090  146.7403       6.298475  1.012070       3.697147  
1 1 1 6   15 23 o 121.1394 1.600763  147.2016       3.678806  146.2465       6.282060  147.7000       4.538393  -0.6581573     3.201525  
1 1 1 6   15 24 o 207.2628 2.183275  430.9378       9.050227  430.9802       12.80582  430.8957       12.79210  0.1968384E-01  4.366550  
1 1 1 6   15 25 o 31.49492 0.6400809 9.881183       0.4023390 10.72137       0.5907655 9.154364       0.5494633 2.487003       1.280162  
1 1 1 6   15 26 o 81.66044 0.9472703 65.75551       1.530321  73.28665       2.386364  60.49519       1.994399  7.820419       1.894541  
1 1 1 6   15 27 o 104.6881 1.159812  109.7356       2.428333  110.0196       3.445636  109.4554       3.422839  0.2685394      2.319624  
1 1 1 6   15 28 o 53.40582 0.7230296 28.10258       0.7652276 25.44416       1.002775  31.80914       1.184071  -5.954082      1.446059  
1 1 1 6   15 29 o 61.87547 0.7864049 38.27333       0.9724833 39.39075       1.408308  37.25485       1.344507  1.723755       1.572810  
1 1 1 6   15 30 o 47.43882 0.6968893 22.39725       0.6592207 24.13823       0.9794817 20.95563       0.8913024 3.351566       1.393779  
1 1 1 6   15 31 o 77.70293 1.259545  60.47395       1.956473  61.78384       2.820342  59.25889       2.716329  1.618111       2.519090  
1 1 1 6   15 32 o 77.38609 0.9139082 59.88002       1.412772  61.56498       2.059182  58.38154       1.941894  2.051048       1.827816  
1 1 1 6   15 33 o 45.97895 0.6833583 20.82262       0.6224757 23.63270       0.9647117 18.81810       0.8147849 5.229698       1.366717  
1 1 1 6   15 34 o 34.71569 0.6500631 12.06617       0.4510691 11.56967       0.6375905 12.56366       0.6382260 -1.431595      1.300126  
1 1 1 6   15 35 o 30.29972 0.6622895 8.810905       0.3929394 11.61583       0.6322537 7.045690       0.5015681 7.535494       1.324579  
1 1 1 6   15 36 o 66.85065 0.8332244 44.76000       1.114006  44.38859       1.574956  45.13188       1.575928  -0.5558701     1.666449  
1 1 1 6   15 37 o 57.59701 0.9865673 32.85219       1.026889  34.18829       1.938976  32.33136       1.210604  1.551277       1.973135  
1 1 1 6   15 38 o 41.74330 1.076115  17.11564       0.8866486 19.76594       1.398991  15.33642       1.146258  5.279060       2.152231  
1 1 1 6   15 39 o 32.62254 0.6709195 10.63973       0.4373513 11.05744       0.6351221 10.26303       0.6031333 1.215321       1.341839  
1 1 1 6   15 40 o 44.44048 0.7009602 19.67129       0.6209250 21.10720       0.9257473 18.49705       0.8371612 2.929672       1.401920  
1 1 1 6   15 41 o 14.15413 1.021805  2.055789       0.2816449 1.552745       0.4049362 2.527183       0.3919912 -3.443825      2.043609  
1 1 1 6   15 42 o 17.90496 0.8723813 3.144559       0.3063674 4.167926       0.4694679 2.385471       0.4043299 4.970037       1.744763  
1 1 1 6   15 43 o 79.29829 0.9535035 63.04161       1.510847  64.54563       2.193141  61.68312       2.084329  1.790527       1.907007  
1 1 1 6   15 44 o 73.30608 0.9095802 53.83418       1.331837  55.57337       1.943841  52.29536       1.828454  2.220474       1.819160  
1 1 1 6   15 45 o 32.88923 0.7176870 10.80883       0.4709398 11.30214       0.6958082 10.39182       0.6397381 1.377499       1.435374  
1 1 1 6   15 46 o 31.49924 0.7293193 9.920852       0.4584869 10.35281       0.6754699 9.551808       0.6243408 1.264914       1.458639  
1 1 1 6   15 47 o 16.40569 1.001752  2.632978       0.3241319 3.187520       0.5120848 2.262289       0.4186775 2.803140       2.003505  
1 1 1 6   15 48 o 29.78319 0.8929335 8.897352       0.5298029 9.040870       0.7876008 8.778738       0.7160136 0.4276352      1.785867  
1 1 1 6   15 49 f 67.20552 1.179744  45.49146       1.584700  46.60788       2.291159  44.46755       2.194192  1.568855       2.359487  
1 1 1 6   15 50 o 41.11260 0.9423968 16.99630       0.7748824 16.90902       1.094318  17.08407       1.097387  -0.2122459     1.884794  
1 1 1 6   15 51 o 12.62269 2.022297  0.000000       0.000000  ?              ?         1.614625       0.5105366 ?              ?         
1 1 1 6   15 52 o 53.59175 1.490442  28.94854       1.597508  28.94854       1.597508  ?              ?         ?              ?         
1 1 1 6   15 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   16 0  o 143.8914 2.177964  207.2660       6.267779  207.7331       8.879632  206.8022       8.848407  0.3229675      4.355928  
1 1 1 6   16 1  o 66.72379 1.164908  44.50362       1.553965  45.68012       2.234998  43.40262       2.162092  1.705994       2.329817  
1 1 1 6   16 2  o 119.8000 1.499455  142.4007       3.569052  153.6421       5.435743  133.8818       4.731934  8.238968       2.998909  
1 1 1 6   16 3  o 167.0658 1.766871  279.0703       5.899704  273.3651       8.165412  285.3018       8.533648  -3.567398      3.533741  
1 1 1 6   16 4  o 344.2115 3.583687  1187.700       24.66228  1171.453       34.34000  1205.006       35.44154  -4.843231      7.167373  
1 1 1 6   16 5  o 28.72239 0.6040396 8.245646       0.3468375 8.097435       0.4819558 8.404855       0.4995202 -0.5350723     1.208079  
1 1 1 6   16 6  o 142.5947 1.521985  203.4261       4.340297  204.7708       6.177774  202.1154       6.099195  0.9301147      3.043971  
1 1 1 6   16 7  o 134.9257 1.773709  182.7766       4.528718  180.3542       7.760841  184.0274       5.576632  -1.393463      3.547418  
1 1 1 6   16 8  o 38.31617 0.9754406 14.68981       0.7468337 15.47195       1.059739  13.91809       1.052661  2.027634       1.950881  
1 1 1 6   16 9  o 237.3802 3.523700  565.1957       16.72713  560.4371       23.44014  570.1335       23.87740  -2.028488      7.047400  
1 1 1 6   16 10 o 63.29830 0.9837999 39.43402       1.135185  38.54969       1.344128  41.63383       2.119960  -2.429279      1.967600  
1 1 1 6   16 11 o 307.7487 3.208716  949.3913       19.74368  937.0430       27.52313  962.4818       28.33827  -4.108124      6.417433  
1 1 1 6   16 12 o 150.7409 1.604150  227.3909       4.836162  226.8801       6.819782  227.9076       6.859119  -0.3401947     3.208300  
1 1 1 6   16 13 o 187.7167 1.978347  351.9181       7.411798  340.2198       10.09815  365.5802       10.91294  -6.738022      3.956693  
1 1 1 6   16 14 o 242.6674 2.539158  589.8955       12.32062  583.1688       17.20611  596.9741       17.65035  -2.832153      5.078317  
1 1 1 6   16 15 o 131.8734 1.418491  173.5692       3.733227  180.5996       5.499630  167.5612       5.083992  4.936768       2.836983  
1 1 1 6   16 16 o 191.0521 2.012496  365.4623       7.688820  368.8044       10.98072  362.2474       10.76962  1.710846       4.024992  
1 1 1 6   16 17 o 354.2169 3.696260  1261.183       26.18476  1266.623       37.20372  1255.843       36.86036  1.504639       7.392519  
1 1 1 6   16 18 o 112.3208 1.228826  126.1772       2.759342  128.3873       3.970807  124.1133       3.837218  1.900108       2.457651  
1 1 1 6   16 19 o 152.9514 1.630697  234.1596       4.987174  237.0863       7.146414  231.3811       6.963020  1.860199       3.261395  
1 1 1 6   16 20 o 32.46714 0.6482571 10.38939       0.4175596 12.37954       0.6327914 8.854485       0.5557232 5.427778       1.296514  
1 1 1 6   16 21 o 148.0924 1.584024  219.5080       4.689472  223.5958       6.756574  215.7086       6.513912  2.654984       3.168048  
1 1 1 6   16 22 o 70.14854 0.8521831 49.17006       1.194733  50.85332       1.730100  47.63566       1.651832  2.291939       1.704366  
1 1 1 6   16 23 o 131.8855 1.742040  172.8718       4.292082  170.3229       5.192545  178.3698       7.626143  -2.943268      3.484081  
1 1 1 6   16 24 f 33.01733 0.7954949 10.90137       0.5249973 10.38818       0.7339700 11.43900       0.7512478 -1.590904      1.590990  
1 1 1 6   16 25 o 119.2580 1.821057  142.5894       4.341540  145.1192       6.253869  140.2361       6.031875  2.033875       3.642114  
1 1 1 6   16 26 o 76.37848 1.237627  58.41160       1.890229  59.14915       2.704134  57.70686       2.643279  0.9415207      2.475254  
1 1 1 6   16 27 o 69.15686 0.9933751 48.63264       1.349893  42.81844       2.031722  53.22769       1.806193  -7.535042      1.986750  
1 1 1 6   16 28 o 43.54539 0.6689766 18.97004       0.5825738 19.24093       0.8297321 18.70665       0.8181574 0.6131210      1.337953  
1 1 1 6   16 29 o 97.01773 1.095309  94.12567       2.122673  97.20979       3.096113  91.39032       2.915820  2.989708       2.190618  
1 1 1 6   16 30 o 94.70374 1.075737  89.69064       2.034884  92.67225       2.970472  87.05421       2.793222  2.956169       2.151474  
1 1 1 6   16 31 f 41.15285 0.6768439 16.74689       0.5537143 18.98452       0.8398397 15.02629       0.7364479 4.805336       1.353688  
1 1 1 6   16 32 o 102.3951 1.148054  104.9781       2.349300  107.6429       3.403877  102.5540       3.246530  2.474083       2.296108  
1 1 1 6   16 33 o 78.42130 0.9275070 60.96442       1.443626  66.65115       2.213382  56.75433       1.904458  6.290085       1.855014  
1 1 1 6   16 34 o 39.47503 0.6708083 15.15996       0.5217946 18.39836       0.8279907 13.02659       0.6720365 6.796600       1.341617  
1 1 1 6   16 35 o 50.47231 1.116280  25.55899       1.125779  25.23996       1.621637  25.85579       1.564106  -0.6152534     2.232559  
1 1 1 6   16 36 f 83.91042 1.434948  70.77160       2.407964  70.43493       3.421336  71.10207       3.389635  -0.4015045     2.869897  
1 1 1 6   16 37 o 43.45283 0.6956450 18.90986       0.6044168 18.76036       0.8620196 19.05443       0.8477091 -0.3393631     1.391290  
1 1 1 6   16 38 o 76.31175 0.9195242 58.38163       1.403312  58.36963       1.996318  58.39335       1.973052  -0.1779938E-01 1.839048  
1 1 1 6   16 39 o 40.91694 0.6883188 16.63165       0.5606700 18.20598       0.8440039 15.38817       0.7500924 3.435982       1.376638  
1 1 1 6   16 40 o 26.23357 0.7052569 6.902990       0.3684314 6.104707       0.5163342 7.731058       0.5258784 -3.098925      1.410514  
1 1 1 6   16 41 o 29.96509 0.6985637 8.817870       0.4144467 10.62134       0.6385098 7.504870       0.5448109 5.191408       1.397127  
1 1 1 6   16 42 o 38.89630 0.7011443 15.13375       0.5447193 14.08222       0.7552130 16.27402       0.7864342 -2.814468      1.402289  
1 1 1 6   16 43 o 60.80552 0.8178886 36.98942       0.9934586 35.21774       1.365640  38.98093       1.447890  -3.084610      1.635777  
1 1 1 6   16 44 o 21.11562 1.552918  4.345097       0.6420212 5.837568       1.014246  3.347239       0.8293250 5.851643       3.105836  
1 1 1 6   16 45 o 20.39824 0.8696249 4.194972       0.3472672 3.140989       0.4794331 5.358276       0.5036838 -5.431372      1.739250  
1 1 1 6   16 46 f 20.26775 0.8531162 4.151990       0.3432731 3.784911       0.5017340 4.475031       0.4706761 -1.707190      1.706232  
1 1 1 6   16 47 o 53.68651 0.9689062 28.96150       1.033886  29.04440       1.551806  28.89532       1.386407  0.1080170      1.937812  
1 1 1 6   16 48 o 57.18091 1.069129  32.81253       1.220285  34.44556       1.795618  31.41107       1.663439  2.624775       2.138258  
1 1 1 6   16 49 o 33.42249 0.9309424 11.22309       0.6216540 11.41158       0.9027564 11.05311       0.8573064 0.5268517      1.861885  
1 1 1 6   16 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   16 51 o 32.32773 0.9360223 10.49214       0.6040357 9.621921       0.8345815 11.44945       0.8753468 -2.816984      1.872045  
1 1 1 6   16 52 o 14.46578 1.800252  2.125591       0.4601453 2.302689       0.8675399 2.056265       0.5427867 0.4312897      3.600504  
1 1 1 6   17 0  o 170.2510 1.799687  289.7401       6.121805  282.8910       8.434074  297.3664       8.899764  -4.243973      3.599375  
1 1 1 6   17 1  o 229.8224 2.406926  528.7999       11.06071  522.9174       15.44413  534.9943       15.84810  -2.618988      4.813851  
1 1 1 6   17 2  o 166.2405 1.760104  276.5389       5.851386  274.3859       8.203783  278.7684       8.348330  -1.315857      3.520208  
1 1 1 6   17 3  f 261.0706 3.366390  676.5715       16.29947  702.0811       29.39454  665.2453       19.58649  6.764130       6.732781  
1 1 1 6   17 4  o 285.0060 4.219832  815.3513       24.03706  799.9022       33.26708  832.2276       34.76975  -5.613647      8.439664  
1 1 1 6   17 5  o 312.5831 4.625451  980.2361       28.85909  948.8331       39.35644  1016.759       42.44406  -10.73444      9.250901  
1 1 1 6   17 6  f 191.4019 2.606567  367.3990       9.791976  369.0834       12.69826  364.9281       15.37973  1.150299       5.213135  
1 1 1 6   17 7  o 237.3264 2.674721  565.8578       12.64695  585.0649       17.32779  543.9625       18.50076  8.689438       5.349441  
1 1 1 6   17 8  o 108.1703 1.184880  117.0461       2.563224  116.3602       3.601535  117.7501       3.648819  -0.6418991     2.369761  
1 1 1 6   17 9  o 199.6797 2.099278  399.1137       8.381542  394.2791       11.69681  404.2159       12.01623  -2.481262      4.198557  
1 1 1 6   17 10 o 289.3195 3.019500  838.8922       17.46360  825.1036       24.25180  853.7424       25.16821  -4.919800      6.039000  
1 1 1 6   17 11 o 180.9895 1.910530  327.8632       6.914268  324.1946       9.660579  331.7162       9.900332  -2.072861      3.821060  
1 1 1 6   17 12 o 285.8736 2.984650  818.3242       17.04177  796.6334       23.38843  842.8742       24.88228  -8.036713      5.969301  
1 1 1 6   17 13 o 106.0809 1.167390  112.4861       2.475066  110.0920       3.424855  115.1032       3.580901  -2.359779      2.334780  
1 1 1 6   17 14 f 190.7343 2.010819  363.3322       7.652860  378.4157       11.29276  350.5222       10.40698  7.289063       4.021637  
1 1 1 6   17 15 o 199.5693 2.100467  398.8477       8.381208  404.5592       12.03264  393.4654       11.68082  2.768814       4.200935  
1 1 1 6   17 16 o 93.15060 1.048935  86.81256       1.954175  86.79262       2.765490  86.83246       2.761758  -0.2145386E-01 2.097869  
1 1 1 6   17 17 o 50.15323 0.6983278 25.12630       0.6999624 26.03869       1.013663  24.29473       0.9677267 1.738098       1.396656  
1 1 1 6   17 18 o 165.1151 1.753235  272.5514       5.780778  281.7915       8.461958  264.4655       7.915851  5.229309       3.506470  
1 1 1 6   17 19 o 78.08855 0.9133817 60.35145       1.415515  66.19277       2.171517  56.03543       1.866590  6.497902       1.826763  
1 1 1 6   17 20 o 98.34747 1.098282  96.74252       2.159326  95.01820       3.000723  98.59436       3.109688  -1.815376      2.196564  
1 1 1 6   17 21 o 164.1500 1.744980  269.3333       5.716259  259.9561       7.781685  280.3239       8.424556  -6.175446      3.489961  
1 1 1 6   17 22 o 96.80723 1.085127  93.80609       2.100929  94.10352       2.981380  93.51271       2.961050  0.3045044      2.170255  
1 1 1 6   17 23 f 99.80858 1.113793  99.53913       2.220056  96.37909       3.041590  103.1422       3.247811  -3.380516      2.227586  
1 1 1 6   17 24 o 180.3792 1.912075  326.4981       6.897532  324.3194       9.689105  328.7368       9.821409  -1.215759      3.824150  
1 1 1 6   17 25 f 96.05231 1.080269  92.37544       2.075148  92.83630       2.951737  91.92509       2.917961  0.4728928      2.160537  
1 1 1 6   17 26 o 94.85919 1.285637  91.11806       2.355014  94.02045       2.992572  86.39669       3.816802  4.064903       2.571273  
1 1 1 6   17 27 o 50.79679 0.9376323 25.83157       0.9525242 25.95867       1.355275  25.70752       1.339018  0.2465057      1.875265  
1 1 1 6   17 28 o 88.87444 1.406953  79.18777       2.500362  80.21333       3.578840  78.20982       3.494752  1.121231       2.813906  
1 1 1 6   17 29 o 70.30545 1.170271  49.49279       1.644716  50.72557       2.372025  48.35129       2.282516  1.682930       2.340543  
1 1 1 6   17 30 o 75.65051 1.095598  55.63741       1.527460  61.70108       2.828454  53.14097       1.814854  5.595558       2.191195  
1 1 1 6   17 31 o 41.45253 0.6797751 17.13844       0.5625709 18.26826       0.8255812 16.15906       0.7686561 2.541641       1.359550  
1 1 1 6   17 32 o 70.39153 0.9446026 49.11050       1.299038  52.04082       2.099159  47.29183       1.653732  3.343765       1.889205  
1 1 1 6   17 33 f 92.93445 1.556453  86.58623       2.888212  90.46447       4.235295  83.21486       3.948831  3.867722       3.112907  
1 1 1 6   17 34 o 46.99657 0.9072284 21.93266       0.7843482 21.63493       0.9370416 22.62950       1.433567  -1.021553      1.814457  
1 1 1 6   17 35 f 57.10036 0.7697805 32.16171       0.8705224 36.17006       1.351176  29.31720       1.138238  5.985981       1.539561  
1 1 1 6   17 36 o 32.64211 0.6805854 10.67814       0.4439432 10.32354       0.6333549 11.02064       0.6224481 -1.068546      1.361171  
1 1 1 6   17 37 o 50.99596 0.7355991 26.01180       0.7494550 26.80276       1.090698  25.30430       1.031552  1.464581       1.471198  
1 1 1 6   17 38 o 91.73439 1.059042  84.30369       1.940657  81.43735       2.665580  87.53654       2.830879  -3.304222      2.118083  
1 1 1 6   17 39 o 73.42519 0.9015943 54.06445       1.323812  54.25039       1.889327  53.88512       1.855439  0.2449112      1.803189  
1 1 1 6   17 40 o 10.85169 1.289444  1.190140       0.2670669 1.636410       0.4020449 0.8377072      0.3572841 3.820946       2.578888  
1 1 1 6   17 41 f 47.06622 0.7272569 22.10239       0.6830993 20.50128       0.9317507 23.96304       1.004435  -3.670189      1.454514  
1 1 1 6   17 42 o 60.25284 0.8162333 36.28788       0.9819661 34.32611       1.342735  38.54338       1.439756  -3.488052      1.632467  
1 1 1 6   17 43 o 62.20711 0.8275381 38.80260       1.029374  37.82154       1.441119  39.82456       1.470847  -1.606052      1.655076  
1 1 1 6   17 44 o 23.36238 0.7997671 5.423836       0.3717960 6.013609       0.5611500 4.962345       0.4963844 2.240812       1.599534  
1 1 1 6   17 45 o 17.97644 0.9970255 3.172329       0.3478113 3.552360       0.5782462 2.956892       0.4353750 1.630949       1.994051  
1 1 1 6   17 46 o 59.41865 1.019261  34.71082       1.177052  38.79620       1.948318  32.36270       1.477075  5.321495       2.038522  
1 1 1 6   17 47 o 17.55984 1.126790  3.098363       0.3945383 3.197984       0.5845984 3.015034       0.5346623 0.5095844      2.253580  
1 1 1 6   17 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   17 49 o 38.49176 0.9369089 14.79975       0.7186363 16.11823       1.073521  13.72914       0.9673600 3.080788       1.873818  
1 1 1 6   17 50 o 25.48058 0.9806020 6.508733       0.4983273 6.902486       0.7392878 6.180848       0.6746250 1.400234       1.961204  
1 1 1 6   17 51 o 30.54313 0.9493731 9.353545       0.5789042 10.04884       0.8483256 8.747564       0.7919657 2.117157       1.898746  
1 1 1 6   18 0  o 291.4560 4.317890  852.3448       25.12970  828.2899       34.40455  879.8557       36.79310  -8.744690      8.635780  
1 1 1 6   18 1  o 114.3311 1.777756  130.8291       4.065001  131.4247       5.767107  130.2411       5.730627  0.5170135      3.555513  
1 1 1 6   18 2  o 47.44765 1.026165  22.15549       0.9658262 25.79806       1.481609  19.46378       1.273631  6.672863       2.052329  
1 1 1 6   18 3  o 63.27100 0.9849589 39.88831       1.149884  39.64397       1.379322  40.44503       2.082067  -0.6260529     1.969918  
1 1 1 6   18 4  o 370.3031 3.859548  1375.395       28.54975  1340.824       39.24420  1414.262       41.61051  -9.820251      7.719095  
1 1 1 6   18 5  o 220.0595 2.308073  484.6032       10.15042  474.5627       14.02882  495.6346       14.70474  -4.771118      4.616145  
1 1 1 6   18 6  o 142.5423 1.529273  202.6358       4.347400  194.6824       5.888570  212.1646       6.445398  -6.123001      3.058547  
1 1 1 6   18 7  o 136.0565 1.461109  185.0499       3.972565  180.8905       5.485337  189.6378       5.760897  -3.210083      2.922218  
1 1 1 6   18 8  o 148.7971 1.587560  221.5253       4.723490  224.4097       6.764390  218.7805       6.598739  1.888550       3.175119  
1 1 1 6   18 9  o 113.5805 1.239137  128.4268       2.803560  122.3222       3.767424  136.0026       4.196925  -6.016037      2.478275  
1 1 1 6   18 10 o 227.8830 2.389403  520.2560       10.88837  515.3204       15.23769  525.4055       15.56447  -2.203064      4.778806  
1 1 1 6   18 11 o 59.10910 0.7578484 34.38288       0.8864812 31.27458       1.155893  38.82214       1.381373  -6.382145      1.515697  
1 1 1 6   18 12 o 45.66192 0.6697655 20.84644       0.6115375 21.39015       0.8738497 20.32458       0.8561122 1.166634       1.339531  
1 1 1 6   18 13 o 156.0804 1.662182  242.9868       5.172090  233.1224       6.987958  254.9372       7.691421  -6.970062      3.324364  
1 1 1 6   18 14 f 56.46658 0.7422134 31.72554       0.8353618 29.95755       1.126140  33.88865       1.245638  -3.479473      1.484427  
1 1 1 6   18 15 o 198.8945 2.095719  396.3842       8.335488  400.0198       11.90206  392.8844       11.67746  1.785599       4.191437  
1 1 1 6   18 16 o 24.76548 0.6642596 6.074148       0.3267955 5.183680       0.4403373 7.165952       0.4875827 -4.001471      1.328519  
1 1 1 6   18 17 o 181.0210 1.914839  328.2969       6.930105  323.6727       9.649434  333.2227       9.959201  -2.624832      3.829679  
1 1 1 6   18 18 o 116.9194 1.275880  136.4513       2.976588  142.4620       4.393329  131.3509       4.047025  4.741158       2.551761  
1 1 1 6   18 19 f 139.9662 1.503484  196.1720       4.207649  193.6444       5.870840  198.8415       6.033525  -1.850113      3.006967  
1 1 1 6   18 20 o 134.5832 1.451007  180.5065       3.889168  171.8372       5.220139  191.3219       5.830583  -7.212448      2.902014  
1 1 1 6   18 21 o 124.6825 1.353862  155.6977       3.375632  157.1755       4.820145  154.2754       4.728893  1.158951       2.707724  
1 1 1 6   18 22 o 33.96316 0.6396381 11.43483       0.4325047 10.28026       0.5808463 12.87158       0.6479486 -3.813427      1.279276  
1 1 1 6   18 23 o 54.97467 0.7381766 30.24006       0.8116118 30.25700       1.150570  30.22328       1.145035  0.3050995E-01  1.476353  
1 1 1 6   18 24 o 60.87936 0.7770149 37.04999       0.9454584 38.19895       1.367863  35.99893       1.308286  1.804832       1.554030  
1 1 1 6   18 25 o 59.29092 0.7700427 34.93402       0.9091999 32.62283       1.218592  37.83613       1.365521  -4.391178      1.540085  
1 1 1 6   18 26 o 38.23766 0.6658459 14.61321       0.5089123 14.07176       0.7058310 15.19943       0.7344427 -1.473629      1.331692  
1 1 1 6   18 27 o 52.16864 0.7286867 26.91014       0.7551144 24.49808       0.9992305 30.12159       1.152983  -5.383831      1.457373  
1 1 1 6   18 28 o 17.40902 0.8239555 3.046610       0.2844505 2.571132       0.3996148 3.534956       0.4049866 -2.767931      1.647911  
1 1 1 6   18 29 o 45.15275 0.6952773 20.38457       0.6275375 19.79636       0.8702806 21.02167       0.9057243 -1.355373      1.390555  
1 1 1 6   18 30 o 40.45023 0.9969532 16.17205       0.7757127 17.19112       1.305482  15.61588       0.9644330 1.923859       1.993906  
1 1 1 6   18 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   18 32 o 43.78920 0.8964627 18.91948       0.7786894 21.60169       1.197906  16.95674       1.024729  5.291637       1.792925  
1 1 1 6   18 33 o 97.03830 1.402805  94.72071       2.681673  93.95211       4.159523  95.26741       3.508070  -0.7549057     2.805611  
1 1 1 6   18 34 o 34.32100 0.6777001 11.54559       0.4601767 13.70029       0.7160979 10.02986       0.6006059 5.339867       1.355400  
1 1 1 6   18 35 o 21.42802 0.7446501 4.590849       0.3188035 4.783040       0.4638083 4.418725       0.4389321 0.8481693      1.489300  
1 1 1 6   18 36 o 19.52771 0.8296037 3.850107       0.3110119 2.544329       0.4249643 5.356145       0.4563896 -7.196845      1.659207  
1 1 1 6   18 37 o 31.36002 0.6935812 9.792462       0.4336349 10.60606       0.6452501 9.122366       0.5855867 2.360722       1.387162  
1 1 1 6   18 38 o 112.7893 1.259903  127.7285       2.838794  123.7051       3.902186  132.2517       4.137459  -3.750938      2.519807  
1 1 1 6   18 39 o 49.49814 0.7393898 24.52000       0.7314259 23.30225       1.015241  25.83419       1.054671  -2.553661      1.478780  
1 1 1 6   18 40 o 29.71484 0.7060803 8.822091       0.4187182 9.216640       0.6171297 8.485516       0.5699896 1.225538       1.412161  
1 1 1 6   18 41 o 53.41486 0.7660286 28.54459       0.8175123 26.99458       1.128908  30.25371       1.185436  -3.044426      1.532057  
1 1 1 6   18 42 o 50.40617 0.7564719 25.47562       0.7623668 25.42435       1.091635  25.52444       1.065152  -0.1025314     1.512944  
1 1 1 6   18 43 f 25.96176 1.204779  6.807237       0.5028678 6.757312       1.113248  6.820035       0.5636497 -0.2311668     2.409559  
1 1 1 6   18 44 o 67.12138 1.086912  45.27592       1.440587  45.60377       2.224649  45.03917       1.890491  0.3560867      2.173825  
1 1 1 6   18 45 o 70.11319 1.207719  49.42544       1.690675  51.63099       2.480515  47.51190       2.310482  2.897835       2.415438  
1 1 1 6   18 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   18 47 o 24.62501 0.9755735 6.076376       0.4782519 5.302959       0.6561103 6.953176       0.6985871 -3.341473      1.951147  
1 1 1 6   18 48 o 27.22699 0.9421522 7.457286       0.5127891 7.384554       0.7346666 7.526383       0.7160771 -0.2644291     1.884304  
1 1 1 6   18 49 o 47.22291 0.9917303 22.42276       0.9359593 21.60345       1.294030  23.32161       1.355393  -1.804066      1.983461  
1 1 1 6   18 50 o 28.61361 0.9643037 8.131480       0.5478393 9.601208       0.8270433 6.982383       0.7312871 4.553694       1.928607  
1 1 1 6   19 0  f 87.59320 0.9964566 76.60225       1.743206  79.43937       2.548512  74.10774       2.389678  3.041588       1.992913  
1 1 1 6   19 1  o 250.9614 2.626418  630.9663       13.17778  640.8032       18.94525  621.7461       18.34178  3.778473       5.252836  
1 1 1 6   19 2  o 242.3972 2.538259  588.8167       12.30529  589.8389       17.43081  587.8011       17.37395  0.4186554      5.076518  
1 1 1 6   19 3  o 122.8949 1.332749  150.3166       3.261795  159.5211       4.892251  142.9506       4.376473  6.733551       2.665499  
1 1 1 6   19 4  o 166.7274 1.768941  278.2792       5.898593  278.9104       8.357005  277.6526       8.326818  0.3765564      3.537883  
1 1 1 6   19 5  o 37.38373 0.6416730 13.75859       0.4759330 12.15357       0.6277158 15.92887       0.7299315 -5.048553      1.283346  
1 1 1 6   19 6  f 130.0830 1.402468  169.2148       3.646464  165.9991       5.051043  172.7148       5.269660  -2.577286      2.804936  
1 1 1 6   19 7  o 108.5984 1.193231  117.7158       2.586573  113.7051       3.527546  122.3797       3.804010  -3.989265      2.386463  
1 1 1 6   19 8  o 60.29493 0.3998797 32.33049       0.3278033 42.11367       0.9549905 31.02385       0.3490079 9.192886       0.7997593 
1 1 1 6   19 9  o 226.9330 2.381013  516.1996       10.80537  511.8940       15.14458  520.6642       15.42139  -1.922073      4.762026  
1 1 1 6   19 10 o 105.7921 1.166548  111.9868       2.468204  112.4310       3.500724  111.5477       3.480498  0.4170837      2.333095  
1 1 1 6   19 11 o 186.5303 1.970778  348.5719       7.352195  348.7556       10.39720  348.3882       10.39794  0.9849548E-01  3.941556  
1 1 1 6   19 12 o 78.10742 0.9124846 60.15683       1.410178  55.42947       1.838801  66.90747       2.197341  -7.341698      1.824969  
1 1 1 6   19 13 o 75.05262 0.8855805 56.32079       1.328817  57.55059       1.911110  55.16974       1.848896  1.585022       1.771161  
1 1 1 6   19 14 o 114.2213 1.248927  130.0690       2.843869  124.5043       3.840759  136.8225       4.231207  -5.381599      2.497855  
1 1 1 6   19 15 o 73.04031 0.8680792 53.07588       1.263295  56.73875       1.889445  50.11469       1.698854  4.530678       1.736158  
1 1 1 6   19 16 o 175.9441 1.864348  309.8214       6.551251  301.2528       8.985063  319.5471       9.572556  -5.171219      3.728695  
1 1 1 6   19 17 o 50.73103 0.7036584 25.64688       0.7121841 24.38971       0.9665546 27.14013       1.053401  -2.709057      1.407317  
1 1 1 6   19 18 o 66.51187 0.8196131 44.17856       1.088987  46.00885       1.588121  42.55420       1.496114  2.594643       1.639226  
1 1 1 6   19 19 f 68.98686 0.8412276 47.61359       1.160475  48.14336       1.659713  47.10687       1.623214  0.7501907      1.682455  
1 1 1 6   19 20 o 78.65220 0.9215046 61.91256       1.449550  61.70184       2.043871  62.12582       2.056130  -0.2691345     1.843009  
1 1 1 6   19 21 o 93.10231 1.053045  86.08665       1.948760  80.85896       2.588361  92.92792       2.961000  -6.465965      2.106090  
1 1 1 6   19 22 o 25.48643 0.6767602 6.484829       0.3442176 5.908923       0.4757067 7.117757       0.4987015 -2.370842      1.353520  
1 1 1 6   19 23 o 92.54948 1.052188  85.77711       1.947589  85.75835       2.753769  85.79588       2.754846  -0.2021790E-01 2.104377  
1 1 1 6   19 24 o 101.0097 1.130304  102.1527       2.282474  100.3672       3.172752  104.0681       3.286040  -1.825760      2.260609  
1 1 1 6   19 25 o 60.88695 0.7965128 37.10680       0.9699416 37.23459       1.373452  36.97964       1.369964  0.2092171      1.593026  
1 1 1 6   19 26 o 38.26348 0.6675268 14.64961       0.5108085 14.43745       0.7187358 14.86615       0.7261053 -0.5599213     1.335054  
1 1 1 6   19 27 o 51.97739 0.9545128 26.59753       0.8910076 28.10062       1.706121  26.03385       1.044806  1.952095       1.909026  
1 1 1 6   19 28 o 36.39550 1.147819  12.92128       0.8228158 16.54098       1.280354  10.37459       1.073944  8.455719       2.295637  
1 1 1 6   19 29 o 77.02913 1.161737  59.28503       1.658867  58.94031       1.997821  60.05038       2.976827  -0.6421204     2.323475  
1 1 1 6   19 30 o 10.17461 1.261947  1.052042       0.2513732 1.129390       0.3659592 0.9829482      0.3458807 0.8724737      2.523895  
1 1 1 6   19 31 o 47.81536 0.7251677 22.82331       0.6924062 24.17812       1.013910  21.63930       0.9478459 2.650875       1.450335  
1 1 1 6   19 32 f 107.3036 1.201921  115.4693       2.577981  113.0389       3.574381  118.1043       3.721714  -2.344604      2.403841  
1 1 1 6   19 33 o 131.3905 1.556100  173.6520       4.041434  172.7719       5.318855  174.8542       6.216443  -0.6538391     3.112199  
1 1 1 6   19 34 o 13.02518 1.223904  1.675510       0.3133819 2.177524       0.4749446 1.288417       0.4170550 3.405669       2.447809  
1 1 1 6   19 35 o 64.23874 1.110574  41.42590       1.426815  41.66593       2.024677  41.18911       2.011034  0.3694382      2.221148  
1 1 1 6   19 36 o 48.79345 0.9408374 23.86634       0.9178201 24.39857       1.319287  23.36713       1.277699  1.052219       1.881675  
1 1 1 6   19 37 o 81.27263 1.146357  67.27235       1.815850  62.01608       2.847973  70.87286       2.357105  -5.521461      2.292714  
1 1 1 6   19 38 o 30.40345 0.7055420 9.270876       0.4283400 9.068767       0.6194570 9.456056       0.5929412 -0.6394615     1.411084  
1 1 1 6   19 39 o 35.13502 0.7032158 12.35404       0.4929347 11.19079       0.6845024 13.60717       0.7104513 -3.436081      1.406432  
1 1 1 6   19 40 o 41.40110 0.7198699 17.08353       0.5940725 15.31207       0.8095579 19.15052       0.8744844 -4.628761      1.439740  
1 1 1 6   19 41 o 35.44688 0.7203384 12.60382       0.5100780 11.88173       0.7203661 13.32991       0.7223566 -2.042511      1.440677  
1 1 1 6   19 42 o 56.79027 0.8630289 31.90128       0.9579131 34.52627       1.552215  30.28662       1.217381  3.681862       1.726058  
1 1 1 6   19 43 f 59.44453 0.9518356 35.49792       1.131277  35.54338       1.620648  35.45473       1.579865  0.6760025E-01  1.903671  
1 1 1 6   19 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   19 45 o 10.62489 1.744588  1.172432       0.3674430 0.8530682      0.4957702 1.561682       0.5473335 -3.165982      3.489177  
1 1 1 6   19 46 o 28.04832 0.9210311 7.833088       0.5136068 9.129614       0.7663419 6.775823       0.6920291 4.180758       1.842062  
1 1 1 6   19 47 o 28.04602 0.9354680 7.916366       0.5242486 7.570627       0.7441624 8.257017       0.7386670 -1.224855      1.870936  
1 1 1 6   19 48 o 32.51455 0.9276555 10.61051       0.6021407 9.753222       0.8311967 11.55725       0.8734878 -2.764393      1.855311  
1 1 1 6   19 49 o 28.88420 0.9624650 8.399605       0.5554783 7.954257       0.7832679 8.850215       0.7878826 -1.549862      1.924930  
1 1 1 6   20 0  o 164.1804 1.744004  269.0142       5.711204  281.5020       8.457869  258.5479       7.743101  6.971634       3.488008  
1 1 1 6   20 1  o 137.0739 1.473207  187.8403       4.034777  183.2200       5.559510  192.9819       5.864794  -3.553940      2.946413  
1 1 1 6   20 2  o 145.9514 1.560158  213.1583       4.552564  210.1046       6.338961  216.4112       6.542456  -2.155579      3.120316  
1 1 1 6   20 3  o 84.30818 0.9695098 71.08176       1.634292  70.04108       2.278737  72.18403       2.345170  -1.269890      1.939020  
1 1 1 6   20 4  o 114.4596 1.250817  130.8755       2.859430  135.2509       4.177792  127.0194       3.922006  3.590660       2.501633  
1 1 1 6   20 5  o 224.7343 2.359765  506.3164       10.60576  503.3868       14.90169  509.3237       15.09786  -1.313324      4.719530  
1 1 1 6   20 6  o 55.02097 0.7315744 29.95027       0.7993166 27.65299       1.056330  33.02779       1.222624  -4.882282      1.463149  
1 1 1 6   20 7  o 142.2042 1.524659  202.2341       4.332436  207.4196       6.287620  197.5466       5.978072  3.463135       3.049317  
1 1 1 6   20 8  o 186.8267 1.974018  349.3306       7.368240  340.9156       10.14588  358.7217       10.71819  -4.744263      3.948035  
1 1 1 6   20 9  o 70.85565 0.8543556 49.41951       1.197885  55.74574       1.867183  44.99450       1.561608  7.581429       1.708711  
1 1 1 6   20 10 f 117.7614 1.285091  138.8159       3.026640  138.5004       4.267198  139.1353       4.293554  -0.2688446     2.570181  
1 1 1 6   20 11 o 145.7660 1.559941  212.5441       4.543090  218.4251       6.606576  207.2683       6.257431  3.814545       3.119882  
1 1 1 6   20 12 o 82.08549 0.9503968 67.41920       1.560245  67.82082       2.214930  67.02362       2.198205  0.4852142      1.900794  
1 1 1 6   20 13 o 75.59077 0.8923051 56.48292       1.337204  52.27874       1.755963  62.28669       2.063144  -6.612686      1.784610  
1 1 1 6   20 14 o 53.62365 0.7188610 28.52156       0.7673007 31.36574       1.155845  26.28059       1.025979  4.738846       1.437722  
1 1 1 6   20 15 o 22.74463 0.6769367 5.146065       0.3052495 6.178776       0.4492769 4.260606       0.4160151 4.216057       1.353873  
1 1 1 6   20 16 o 89.57756 1.017882  79.83267       1.815307  75.52311       2.431104  85.26360       2.729128  -5.426834      2.035765  
1 1 1 6   20 17 o 58.93014 0.7622750 34.59953       0.8959253 32.85942       1.213082  36.68772       1.328881  -3.245136      1.524550  
1 1 1 6   20 18 o 64.80150 0.8080388 41.87939       1.045189  44.29533       1.538187  39.80713       1.424583  3.459610       1.616078  
1 1 1 6   20 19 o 77.99312 0.9207750 60.87879       1.436128  61.74756       2.049278  60.04037       2.013188  1.093048       1.841550  
1 1 1 6   20 20 o 76.39751 0.9065856 57.64251       1.371810  53.14189       1.794999  63.96233       2.127061  -7.068153      1.813171  
1 1 1 6   20 21 o 87.38010 1.002940  76.39446       1.751770  78.16773       2.529026  74.75901       2.428769  1.945831       2.005880  
1 1 1 6   20 22 o 151.4514 1.624849  229.7131       4.912763  222.2995       6.709240  238.2830       7.213530  -5.236298      3.249698  
1 1 1 6   20 23 o 77.37459 1.163015  59.40730       1.752747  62.49887       2.852181  57.53132       2.221776  3.171585       2.326030  
1 1 1 6   20 24 o 56.92686 0.7604002 32.32178       0.8639380 34.19389       1.273124  30.72385       1.176208  3.043777       1.520800  
1 1 1 6   20 25 o 38.39154 1.101321  14.66427       0.8426378 13.34897       1.138165  16.25967       1.253507  -3.783421      2.202642  
1 1 1 6   20 26 o 73.43590 1.317100  54.04719       1.933297  52.56964       2.678108  55.65511       2.793746  -2.090836      2.634200  
1 1 1 6   20 27 o 47.64521 0.7092699 22.63998       0.6745785 21.32285       0.9204336 24.16842       0.9915242 -2.982666      1.418540  
1 1 1 6   20 28 o 110.2505 1.225437  121.9209       2.702074  121.5064       3.810915  122.3399       3.831789  -0.3761520     2.450874  
1 1 1 6   20 29 o 68.57358 0.8604996 46.78395       1.174898  43.89267       1.573553  50.42651       1.766197  -4.750725      1.720999  
1 1 1 6   20 30 f 58.13854 0.7849696 33.85099       0.9127176 33.51888       1.287882  34.18610       1.293693  -0.5734177     1.569939  
1 1 1 6   20 31 o 57.97761 0.7858954 33.39409       0.9067791 30.99971       1.210932  36.45067       1.368175  -4.689148      1.571791  
1 1 1 6   20 32 o 49.33823 0.7402629 24.37650       0.7303803 24.74480       1.042601  24.02156       1.023492  0.7314682      1.480526  
1 1 1 6   20 33 o 69.55651 0.8754423 48.30965       1.214831  45.99609       1.648610  51.05851       1.797031  -3.625046      1.750885  
1 1 1 6   20 34 o 55.48689 0.7763342 30.62063       0.8578889 28.41625       1.150440  33.38193       1.287587  -4.462242      1.552668  
1 1 1 6   20 35 o 25.54781 0.7339429 6.460813       0.3727530 7.395697       0.5639989 5.735738       0.4966964 3.242531       1.467886  
1 1 1 6   20 36 o 22.42327 0.7648596 5.036390       0.3422343 5.079851       0.5021616 4.998697       0.4676626 0.1774216      1.529719  
1 1 1 6   20 37 o 39.96056 0.8075607 15.99096       0.6296313 15.92700       0.8055216 16.09141       1.009470  -0.1831360     1.615121  
1 1 1 6   20 38 o 34.42732 0.8625626 11.85540       0.5930316 12.73851       0.8638998 11.06841       0.8155352 2.419453       1.725125  
1 1 1 6   20 39 o 73.05751 1.225337  53.71994       1.790396  53.86611       2.536073  53.57470       2.527950  0.1979141      2.450675  
1 1 1 6   20 40 o 41.11590 0.8155939 16.69534       0.6483030 17.97228       1.080601  15.97725       0.8103384 2.388405       1.631188  
1 1 1 6   20 41 o 20.38850 0.9281564 4.274119       0.3694938 3.473929       0.5484707 4.939062       0.4999759 -3.600809      1.856313  
1 1 1 6   20 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   20 43 o 33.88273 1.273052  11.53245       0.8626899 11.53245       0.8626899 ?              ?         ?              ?         
1 1 1 6   20 44 o 57.37436 1.060557  33.13359       1.216893  33.53576       1.733086  32.74250       1.709059  0.6859512      2.121114  
1 1 1 6   20 45 o 40.30833 0.9278926 16.11702       0.7429293 18.41594       1.132273  14.37907       0.9844827 4.977169       1.855785  
1 1 1 6   20 46 o 25.70223 0.9492819 6.654595       0.4871113 6.237778       0.6917838 7.064485       0.6860113 -1.609495      1.898564  
1 1 1 6   20 47 o 16.10739 1.235495  2.666661       0.3900702 2.106297       0.5601930 3.194072       0.5434722 -3.381734      2.470989  
1 1 1 6   20 48 o 17.78880 1.133864  3.161058       0.4011801 3.503787       0.6074855 2.895981       0.5342525 1.688034       2.267728  
1 1 1 6   21 0  o 138.5963 1.489144  192.0167       4.122276  186.7025       5.656990  198.0336       6.019432  -4.077194      2.978287  
1 1 1 6   21 1  o 69.93211 0.8469583 48.65760       1.180126  46.01478       1.587270  51.92430       1.764696  -4.222168      1.693917  
1 1 1 6   21 2  o 85.00316 0.9762148 72.26965       1.659137  71.29204       2.312896  73.30598       2.381350  -1.183250      1.952430  
1 1 1 6   21 3  o 90.53815 1.025618  81.77617       1.852825  78.61945       2.518656  85.49933       2.735311  -3.794724      2.051235  
1 1 1 6   21 4  o 70.75644 0.8514354 50.07507       1.204568  49.59700       1.680984  50.57967       1.726979  -0.6935425     1.702871  
1 1 1 6   21 5  o 206.8800 2.179540  428.1598       8.997825  413.5523       12.24420  445.3093       13.26694  -7.625214      4.359081  
1 1 1 6   21 6  o 95.29272 1.071346  90.80420       2.040593  88.95247       2.827096  92.81824       2.948393  -2.025375      2.142691  
1 1 1 6   21 7  o 164.1254 1.745522  269.7232       5.726055  264.5505       7.930405  275.3571       8.276401  -3.277725      3.491045  
1 1 1 6   21 8  o 144.7874 1.551787  209.6960       4.488240  204.2741       6.169680  215.7907       6.541266  -3.962570      3.103574  
1 1 1 6   21 9  o 154.6820 1.651536  239.7577       5.109231  240.2180       7.239308  239.3008       7.211856  0.2952576      3.303071  
1 1 1 6   21 10 o 183.8744 1.947038  337.9144       7.138358  324.4337       9.654195  354.1740       10.60266  -8.034058      3.894075  
1 1 1 6   21 11 o 48.62415 0.6926803 23.65198       0.6734485 23.61009       0.9414427 23.69587       0.9637489 -0.8773041E-01 1.385361  
1 1 1 6   21 12 o 48.77354 0.6918455 23.51464       0.6702359 21.43958       0.8866127 26.28177       1.023843  -4.960869      1.383691  
1 1 1 6   21 13 o 155.1337 1.656985  241.2136       5.139694  244.5479       7.372204  238.0603       7.169294  2.079651       3.313969  
1 1 1 6   21 14 o 114.4632 1.254833  130.8408       2.866122  136.6348       4.228605  125.9170       3.898147  4.667328       2.509665  
1 1 1 6   21 15 o 58.39532 0.7624525 34.10844       0.8901443 33.67696       1.239135  34.56852       1.279546  -0.7622261     1.524905  
1 1 1 6   21 16 o 73.47739 0.8784215 53.82297       1.287005  51.41891       1.740401  56.72403       1.911856  -3.603699      1.756843  
1 1 1 6   21 17 o 112.0278 1.232950  125.3325       2.755278  120.4112       3.737523  131.1906       4.077775  -4.792297      2.465901  
1 1 1 6   21 18 o 65.73022 0.8179531 43.20292       1.074559  42.23280       1.486934  44.26339       1.554638  -1.542099      1.635906  
1 1 1 6   21 19 o 57.87128 0.7603798 33.30386       0.8764293 31.29106       1.175854  35.81986       1.314643  -3.907749      1.520760  
1 1 1 6   21 20 o 114.1808 1.258831  130.6060       2.873596  132.9177       4.133232  128.4432       3.997904  1.950691       2.517662  
1 1 1 6   21 21 o 78.71669 0.9345269 61.53638       1.462575  57.64168       1.944442  66.61104       2.219536  -5.683464      1.869054  
1 1 1 6   21 22 o 30.46473 1.181600  9.303475       0.7191480 9.873106       1.022765  8.746446       1.011389  1.848379       2.363200  
1 1 1 6   21 23 o 47.82410 1.108819  22.80601       1.057596  21.44132       1.431679  24.44521       1.569080  -3.131516      2.217638  
1 1 1 6   21 24 o 131.5504 1.430405  173.6888       3.762855  171.8963       5.267163  175.5571       5.377513  -1.380905      2.860811  
1 1 1 6   21 25 o 56.23619 0.7622483 31.64375       0.8569438 31.09166       1.190832  32.23672       1.234130  -1.015766      1.524497  
1 1 1 6   21 26 o 43.43202 0.6934651 18.77811       0.6006357 20.33597       0.8912204 17.48168       0.8130109 3.282032       1.386930  
1 1 1 6   21 27 o 81.72281 0.9656160 66.91544       1.578068  66.17932       2.210934  67.67991       2.253114  -0.9148178     1.931232  
1 1 1 6   21 28 o 39.52677 0.6934257 15.35889       0.5431935 13.26146       0.7151750 18.21850       0.8350686 -6.263378      1.386851  
1 1 1 6   21 29 o 69.87339 0.8731568 48.88226       1.219558  50.06878       1.760129  47.78666       1.691357  1.627441       1.746314  
1 1 1 6   21 30 o 45.63802 0.7197794 20.85930       0.6569756 20.92147       0.9322388 20.79797       0.9260002 0.1348419      1.439559  
1 1 1 6   21 31 o 68.88229 0.8689090 47.53042       1.196615  48.43904       1.720715  46.67949       1.665187  1.272102       1.737818  
1 1 1 6   21 32 o 28.99553 0.7193215 8.421819       0.4170861 8.393263       0.5941858 8.449555       0.5856054 -0.9777451E-01 1.438643  
1 1 1 6   21 33 o 83.41151 0.9928874 69.79927       1.656187  69.01623       2.321494  70.61089       2.363476  -0.9508133     1.985775  
1 1 1 6   21 34 o 16.86196 0.9276011 2.837570       0.3112086 3.276162       0.4568207 2.457739       0.4251183 2.422992       1.855202  
1 1 1 6   21 35 o 39.97816 0.7248737 15.98643       0.5790597 16.86440       0.8388432 15.18721       0.8003411 2.093826       1.449747  
1 1 1 6   21 36 o 37.96077 0.7134317 14.37459       0.5404111 15.51754       0.7967747 13.40088       0.7354204 2.781704       1.426863  
1 1 1 6   21 37 o 85.39557 1.014171  73.19925       1.731305  74.36950       2.494041  72.11084       2.405241  1.309235       2.028342  
1 1 1 6   21 38 o 25.16352 0.7538216 6.354075       0.3789535 6.201202       0.5448385 6.497334       0.5274280 -0.5905285     1.507643  
1 1 1 6   21 39 o 33.78636 0.7214366 11.27537       0.4838754 13.10720       0.7381095 9.894814       0.6407735 4.741661       1.442873  
1 1 1 6   21 40 o 25.13357 2.808244  6.582012       1.370510  7.790392       2.042759  5.592850       1.848200  4.611912       5.616487  
1 1 1 6   21 41 o 20.44730 1.011526  4.196170       0.4127184 4.309170       0.6076663 4.099409       0.5623124 0.5043221      2.023053  
1 1 1 6   21 42 o 49.02963 0.9810177 23.99827       0.9582731 26.20245       1.433813  22.21892       1.288249  4.033882       1.962035  
1 1 1 6   21 43 o 39.22581 0.9236163 15.45373       0.7242178 15.91043       1.044932  15.03156       1.004652  1.112133       1.847233  
1 1 1 6   21 44 o 71.79607 1.227266  51.91462       1.759573  54.07876       2.576531  50.02316       2.408755  2.778984       2.454532  
1 1 1 6   21 45 o 21.83080 0.9895965 4.785549       0.4315432 5.106963       0.6269519 4.496161       0.5948976 1.391527       1.979193  
1 1 1 6   21 46 o 24.37843 0.9781719 6.001692       0.4742187 5.246169       0.6680798 6.768939       0.6732431 -3.121927      1.956344  
1 1 1 6   21 47 o 21.12477 1.415217  4.890313       0.5353618 3.611540       0.9252256 5.533960       0.6564094 -4.638371      2.830433  
1 1 1 6   22 0  o 28.93271 0.8403791 8.337976       0.4841738 9.516245       0.7088424 7.307450       0.6629132 3.816101       1.680758  
1 1 1 6   22 1  f 10.43651 1.442342  1.125100       0.2895978 1.084861       0.3932869 1.172761       0.4280204 -0.4042120     2.884684  
1 1 1 6   22 2  o 97.36226 1.523717  94.32105       2.951287  89.09939       3.936748  101.0214       4.459455  -6.100426      3.047434  
1 1 1 6   22 3  o 103.0204 1.394056  105.8078       2.702860  107.7451       4.719611  104.8623       3.297079  1.343277       2.788112  
1 1 1 6   22 4  o 75.06281 0.8906014 56.38187       1.337013  56.51094       1.889055  56.25233       1.892594  0.1723557      1.781203  
1 1 1 6   22 5  o 95.51724 1.074866  91.31751       2.053236  92.12685       2.923852  90.53008       2.883987  0.8345413      2.149733  
1 1 1 6   22 6  o 144.6877 1.552765  208.8824       4.476958  199.7420       6.030795  220.1031       6.681901  -7.004135      3.105530  
1 1 1 6   22 7  o 45.58566 0.6777741 20.78995       0.6177922 21.38033       0.8763476 20.20668       0.8710569 1.287182       1.355548  
1 1 1 6   22 8  o 141.2675 1.518327  199.9871       4.289549  198.8427       6.027246  201.1617       6.106201  -0.8167267     3.036654  
1 1 1 6   22 9  f 37.32996 0.6413757 13.89964       0.4778090 13.35269       0.6502508 14.54157       0.7044462 -1.591213      1.282751  
1 1 1 6   22 10 o 119.6734 1.307015  143.4341       3.127783  142.0764       4.376219  144.8520       4.472043  -1.155235      2.614031  
1 1 1 6   22 11 f 37.75485 0.6480734 13.91930       0.4832938 12.03224       0.6271576 16.67833       0.7583372 -6.149769      1.296147  
1 1 1 6   22 12 o 43.35759 0.6700621 18.80775       0.5807459 18.78172       0.8081526 18.83554       0.8351079 -0.6131744E-01 1.340124  
1 1 1 6   22 13 f 133.1146 1.439992  177.1908       3.825745  184.4984       5.632719  170.9327       5.212521  5.068985       2.879983  
1 1 1 6   22 14 o 7.804099 1.388224  0.6293758      0.2178933 0.7630649      0.3173583 0.5101538      0.2996952 1.503967       2.776448  
1 1 1 6   22 15 o 70.34089 0.8570771 49.34769       1.202665  47.17152       1.631444  51.93791       1.779886  -3.382172      1.714154  
1 1 1 6   22 16 o 60.25778 0.7785990 36.33934       0.9383203 36.60228       1.330028  36.07880       1.323964  0.4341354      1.557198  
1 1 1 6   22 17 o 61.14739 0.7834714 37.37375       0.9572108 36.36719       1.318887  38.49408       1.391425  -1.736259      1.566943  
1 1 1 6   22 18 o 34.26387 1.016271  10.22840       0.6073897 15.05220       1.296595  8.872231       0.6874892 8.985022       2.032542  
1 1 1 6   22 19 o 115.1988 1.826559  133.3702       4.207783  132.0812       5.892715  134.7113       6.010438  -1.129784      3.653118  
1 1 1 6   22 20 o 140.7940 2.180262  199.7440       6.139049  198.4959       8.629920  201.0226       8.734882  -0.8841705     4.360524  
1 1 1 6   22 21 o 114.2924 1.261400  130.9129       2.881929  128.5246       4.000280  133.4902       4.155476  -2.160080      2.522799  
1 1 1 6   22 22 o 54.17782 0.7504376 29.19219       0.8098573 31.51546       1.213893  27.32864       1.087177  3.857376       1.500875  
1 1 1 6   22 23 o 61.67547 0.7984056 38.07722       0.9847000 38.64270       1.407218  37.53468       1.378382  0.8966637      1.596811  
1 1 1 6   22 24 o 69.29393 0.8582367 48.01310       1.188109  46.52325       1.634295  49.68311       1.730293  -2.273972      1.716473  
1 1 1 6   22 25 o 77.39056 0.9278848 59.91423       1.434606  58.03951       1.973153  62.01659       2.089522  -2.560707      1.855770  
1 1 1 6   22 26 f 24.33060 0.7257146 5.926952       0.3531236 6.010935       0.5015038 5.844368       0.4973070 0.3420372      1.451429  
1 1 1 6   22 27 o 59.08440 0.7879972 34.76103       0.9278672 32.60489       1.249489  37.41180       1.385418  -4.057827      1.575994  
1 1 1 6   22 28 o 15.11161 0.9451452 2.287055       0.2854984 2.374260       0.4117912 2.206339       0.3961730 0.5540886      1.890290  
1 1 1 6   22 29 o 57.03182 0.7813030 32.51353       0.8900305 31.19921       1.221278  34.00224       1.299772  -2.450935      1.562606  
1 1 1 6   22 30 o 8.802081 1.488731  0.8052180      0.2589855 0.9367613      0.3808769 0.6920925      0.3532079 1.320126       2.977462  
1 1 1 6   22 31 o 33.98041 0.7092466 11.52337       0.4810564 12.52622       0.7039754 10.64485       0.6588930 2.764465       1.418493  
1 1 1 6   22 32 o 24.80318 0.7631257 6.164937       0.3785205 6.171093       0.5392842 6.158959       0.5314201 0.2368736E-01  1.526251  
1 1 1 6   22 33 o 34.62613 0.7163035 11.90074       0.4936920 13.50228       0.7391961 10.61111       0.6633222 4.167488       1.432607  
1 1 1 6   22 34 o 19.66529 0.8576859 3.859015       0.3354611 4.476374       0.4921442 3.323248       0.4584709 2.927872       1.715372  
1 1 1 6   22 35 o 51.25769 0.7729357 26.33679       0.7923537 26.11396       1.115407  26.56378       1.125780  -0.4376068     1.545871  
1 1 1 6   22 36 o 61.03037 0.8228112 37.33248       1.003994  36.13033       1.400725  38.60265       1.439805  -2.020561      1.645622  
1 1 1 6   22 37 o 12.45442 1.284793  1.548318       0.2983862 2.315447       0.4606713 0.9938555      0.3916456 5.440006       2.569586  
1 1 1 6   22 38 o 36.35416 1.707340  13.77850       1.157669  14.53254       1.426324  12.32279       1.981800  3.201473       3.414680  
1 1 1 6   22 39 o 9.021984 1.655722  0.8558794      0.3071772 0.6234795      0.4348783 1.087290       0.4339517 -2.297345      3.311443  
1 1 1 6   22 40 o 17.12172 1.096041  2.982797       0.3709858 2.536712       0.5350248 3.395894       0.5148622 -2.513296      2.192081  
1 1 1 6   22 41 o 19.60889 1.135135  3.891967       0.4425551 4.091548       0.6042694 3.661064       0.6499602 1.108122       2.270271  
1 1 1 6   22 42 o 52.47196 1.009972  27.70918       1.059867  27.53501       1.491208  27.88698       1.506668  -0.3319016     2.019945  
1 1 1 6   22 43 f 23.30348 0.9896466 5.197878       0.4477506 7.404438       0.7217293 3.817245       0.5708942 7.663601       1.979293  
1 1 1 6   22 44 o 40.21334 0.9159557 16.20167       0.7351783 17.27872       1.082335  15.27906       1.001735  2.468555       1.831911  
1 1 1 6   22 45 o 40.38984 0.9348586 16.29382       0.7522093 17.82622       1.126063  15.05905       1.010814  3.398857       1.869717  
1 1 1 6   22 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   23 0  o 100.5053 1.122908  100.8907       2.253077  105.0573       3.309098  97.28983       3.076288  3.855278       2.245817  
1 1 1 6   23 1  f 107.0456 1.183619  114.3800       2.527892  119.7719       3.735310  109.8238       3.433668  4.634361       2.367239  
1 1 1 6   23 2  o 80.78033 0.9417182 65.00602       1.516168  61.86066       2.043692  68.85627       2.261129  -4.322899      1.883436  
1 1 1 6   23 3  o 79.80393 1.112810  64.83416       1.736518  69.93620       2.286344  57.87846       2.669565  7.569504       2.225619  
1 1 1 6   23 4  o 108.0454 1.535529  116.4615       3.233170  114.5826       4.115930  119.4889       5.224664  -2.208603      3.071059  
1 1 1 6   23 5  o 42.60662 0.8812373 17.95169       0.7462770 20.28758       1.133809  16.16616       0.9912817 4.831810       1.762475  
1 1 1 6   23 6  o 80.52683 1.300831  64.70663       2.088595  61.81097       2.823066  68.20813       3.104371  -3.957397      2.601662  
1 1 1 6   23 7  o 92.30957 1.457490  85.40714       2.690375  86.46522       3.846846  84.39413       3.764036  1.116722       2.914981  
1 1 1 6   23 8  o 156.0441 2.024748  246.9135       6.066680  236.7318       9.992934  252.8566       7.634620  -5.373016      4.049497  
1 1 1 6   23 9  o 93.97787 1.064523  88.37785       1.999750  90.40883       2.886366  86.50304       2.773176  2.072647       2.129046  
1 1 1 6   23 10 o 81.33743 0.9489253 65.65070       1.533509  61.46229       2.032562  71.18527       2.336479  -5.963821      1.897851  
1 1 1 6   23 11 o 61.01728 0.7813185 37.22830       0.9528163 36.43363       1.318210  38.09770       1.378803  -1.361404      1.562637  
1 1 1 6   23 12 o 172.3027 1.835605  298.1801       6.324440  295.0794       8.843591  301.4259       9.048132  -1.823624      3.671210  
1 1 1 6   23 13 o 56.02510 0.7487046 31.40616       0.8388326 31.96197       1.196509  30.86894       1.176326  0.9747200      1.497409  
1 1 1 6   23 14 o 90.19811 1.031655  81.03421       1.853622  86.37424       2.776178  76.73853       2.489952  5.325974       2.063311  
1 1 1 6   23 15 o 52.26907 1.364763  0.000000       0.000000  ?              ?         27.35927       1.426697  ?              ?         
1 1 1 6   23 16 o 33.82291 1.109772  11.45482       0.7502552 11.27272       1.039809  11.65258       1.083587  -0.5588646     2.219544  
1 1 1 6   23 17 o 56.21849 1.035613  32.08405       1.143571  34.38683       1.516207  29.04562       1.741633  4.763710       2.071227  
1 1 1 6   23 18 o 91.62951 1.053289  84.06672       1.929188  82.50320       2.675524  85.75996       2.784294  -1.770004      2.106578  
1 1 1 6   23 19 o 54.23895 0.7520314 29.35959       0.8142403 28.02250       1.110434  30.91461       1.197509  -2.661610      1.504063  
1 1 1 6   23 20 o 12.17421 1.036268  1.484125       0.2517141 1.501496       0.3699085 1.469144       0.3435106 0.1309509      2.072536  
1 1 1 6   23 21 o 106.4408 1.188858  113.5132       2.528984  116.2347       3.662395  111.0327       3.496422  2.429543       2.377715  
1 1 1 6   23 22 o 54.97158 0.7588977 30.12096       0.8320535 32.07481       1.234086  28.49252       1.126643  3.251945       1.517795  
1 1 1 6   23 23 o 56.05331 0.7649689 31.41655       0.8567448 30.45694       1.180226  32.48551       1.245660  -1.805336      1.529938  
1 1 1 6   23 24 o 54.20653 0.7565635 29.32263       0.8183752 27.95812       1.112750  30.93019       1.207799  -2.735100      1.513127  
1 1 1 6   23 25 f 41.11499 0.6959772 16.92304       0.5721529 16.77658       0.7986830 17.07743       0.8200319 -0.3644371     1.391954  
1 1 1 6   23 26 o 42.59289 0.7079366 18.01296       0.6004072 16.44664       0.8051155 19.97542       0.9011924 -4.135418      1.415873  
1 1 1 6   23 27 o 29.30692 0.7017108 8.600564       0.4112498 8.413748       0.5783566 8.791624       0.5848885 -0.6442013     1.403422  
1 1 1 6   23 28 o 25.07849 0.7442746 6.237827       0.3697121 5.125691       0.4986102 7.596005       0.5510118 -4.920790      1.488549  
1 1 1 6   23 29 o 35.44823 0.7009093 12.57600       0.4967071 13.03192       0.7143685 12.14929       0.6911085 1.243008       1.401819  
1 1 1 6   23 30 o 54.18269 0.7739808 29.41865       0.8386778 29.17485       1.178261  29.66901       1.194035  -0.4544449     1.547962  
1 1 1 6   23 31 o 26.70376 0.7461307 7.125420       0.3977609 7.753006       0.5787976 6.563787       0.5475408 2.223547       1.492261  
1 1 1 6   23 32 o 56.89348 0.7957811 32.44780       0.9054762 32.74311       1.283900  32.15557       1.277200  0.5156136      1.591562  
1 1 1 6   23 33 o 36.84276 0.7229038 13.56283       0.5318208 14.63041       0.7751032 12.61316       0.7310455 2.733009       1.445808  
1 1 1 6   23 34 o 41.12102 0.7325280 16.93273       0.6021775 17.56118       0.8663109 16.34520       0.8376284 1.475391       1.465056  
1 1 1 6   23 35 o 7.551727 2.074069  -0.4741727E-01 0.3424175 1.131072       0.9423929 -0.2266697     0.3675375 6.515785       4.148137  
1 1 1 6   23 36 o 38.01671 1.243111  14.48972       0.9366179 15.09880       1.436195  14.03896       1.235500  1.350052       2.486222  
1 1 1 6   23 37 o 27.95828 0.8432199 7.900689       0.4673687 8.382042       0.6331881 7.324538       0.6927372 1.900070       1.686440  
1 1 1 6   23 38 o 24.99414 0.9240672 6.267027       0.4616010 6.580434       0.6661994 5.977622       0.6401824 1.201393       1.848134  
1 1 1 6   23 39 f 27.36254 0.9126464 7.511614       0.4990073 7.096124       0.6923759 7.960708       0.7198303 -1.574877      1.825293  
1 1 1 6   23 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   23 41 f 40.11565 0.9231867 15.96615       0.7356876 18.19356       1.121055  14.28131       0.9750049 4.846458       1.846373  
1 1 1 6   23 42 o 31.25416 0.8998468 9.810165       0.5621622 9.380382       0.7823391 10.26898       0.8083325 -1.416195      1.799694  
1 1 1 6   23 43 o 54.16714 1.034386  29.53410       1.119953  30.41644       1.617716  28.72196       1.552029  1.547112       2.068772  
1 1 1 6   23 44 o 39.92717 0.9256279 16.03656       0.7391239 16.11406       1.042228  15.95815       1.048357  0.1966362      1.851256  
1 1 1 6   24 0  o 36.66689 0.6483747 13.19253       0.4706498 11.61007       0.6150109 15.42910       0.7311534 -5.204342      1.296749  
1 1 1 6   24 1  o 87.77738 1.006456  77.14503       1.766803  76.80736       2.484832  77.49033       2.512675  -0.3877716     2.012913  
1 1 1 6   24 2  o 93.32063 1.057725  86.56950       1.963379  93.19219       2.970504  81.43179       2.616363  6.284042       2.115451  
1 1 1 6   24 3  o 77.84782 0.9175050 60.66455       1.428376  60.37320       2.004084  60.96534       2.036360  -0.3789673     1.835010  
1 1 1 6   24 4  f 79.61426 0.9337143 63.42605       1.486254  64.61318       2.135405  62.31065       2.069888  1.443222       1.867429  
1 1 1 6   24 5  o 46.88817 0.6843664 21.89221       0.6398978 20.65392       0.8654028 23.38592       0.9504718 -2.910580      1.368733  
1 1 1 6   24 6  o 76.73707 0.9094176 58.50231       1.387817  54.98720       1.847488  63.05473       2.102484  -5.245483      1.818835  
1 1 1 6   24 7  o 128.4544 1.396020  165.4521       3.586497  165.6225       5.072870  165.2819       5.071278  0.1324615      2.792040  
1 1 1 6   24 8  f 56.44170 0.8873798 32.39445       0.9748763 34.37397       1.265340  29.50327       1.529205  4.326466       1.774760  
1 1 1 6   24 9  o 95.33929 1.498631  91.15934       2.856580  89.88680       3.977800  92.51443       4.104823  -1.368156      2.997261  
1 1 1 6   24 10 o 89.42245 1.419034  80.20582       2.537845  80.12260       3.580094  80.28988       3.598082  -0.9217834E-01 2.838069  
1 1 1 6   24 11 o 90.77577 2.037233  0.000000       0.000000  ?              ?         82.66446       3.698628  ?              ?         
1 1 1 6   24 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   24 13 o 68.12880 1.267477  46.50712       1.726373  45.52561       2.401145  47.55743       2.483876  -1.485168      2.534954  
1 1 1 6   24 14 o 34.90057 0.9163696 11.66846       0.5450678 11.21867       0.6190977 13.21904       1.149473  -2.837063      1.832739  
1 1 1 6   24 15 o 48.22288 0.7070915 23.24679       0.6815312 24.26294       0.9838958 22.30950       0.9449451 2.023632       1.414183  
1 1 1 6   24 16 o 84.04504 0.9803222 70.64333       1.645660  68.44215       2.258257  73.13598       2.403123  -2.782539      1.960644  
1 1 1 6   24 17 o 120.4776 1.322846  145.5509       3.185685  142.7956       4.417278  148.5372       4.598674  -2.366020      2.645693  
1 1 1 6   24 18 o 71.75357 0.8789725 51.54320       1.260973  50.71834       1.756184  52.42102       1.811681  -1.182991      1.757945  
1 1 1 6   24 19 o 81.91853 0.9653085 67.23356       1.581316  66.67415       2.214620  67.81544       2.258667  -0.6933060     1.930617  
1 1 1 6   24 20 o 133.1652 1.450243  178.1879       3.862221  179.3416       5.497292  177.0635       5.427388  0.8470001      2.900486  
1 1 1 6   24 21 f 84.40804 0.9902689 71.40639       1.671502  70.76509       2.340703  72.07375       2.387720  -0.7711716     1.980538  
1 1 1 6   24 22 o 86.35008 1.008297  74.39819       1.735349  79.02652       2.587816  70.61622       2.339270  4.846657       2.016593  
1 1 1 6   24 23 o 36.86325 0.6859781 13.52681       0.5042120 12.52768       0.6819837 14.73137       0.7488202 -2.984386      1.371956  
1 1 1 6   24 24 o 90.13548 1.044892  81.06175       1.876137  86.34332       2.809370  76.81022       2.520578  5.256607       2.089783  
1 1 1 6   24 25 o 39.11893 0.7045988 15.31621       0.5510262 15.00205       0.7656907 15.65367       0.7935959 -0.8307419     1.409198  
1 1 1 6   24 26 o 6.141212 1.536027  0.2945580      0.2528766 0.3398682E-01  0.3715023 0.5195240      0.3451888 -2.066512      3.072054  
1 1 1 6   24 27 o 78.79044 0.9512300 61.95613       1.493720  65.96484       2.228761  58.68726       2.012616  4.593292       1.902460  
1 1 1 6   24 28 f 32.91103 0.7186655 10.85231       0.4730086 10.90036       0.6659793 10.80340       0.6719308 0.1478615      1.437331  
1 1 1 6   24 29 o 51.31651 0.7611268 26.20801       0.7781744 28.57005       1.164249  24.30068       1.046201  4.147694       1.522254  
1 1 1 6   24 30 o 33.24953 0.7261127 11.05281       0.4823044 10.49886       0.6636571 11.67285       0.7021306 -1.761574      1.452225  
1 1 1 6   24 31 o 61.19790 0.8258463 37.43164       1.008669  35.70660       1.373012  39.45420       1.486709  -3.048206      1.651693  
1 1 1 6   24 32 o 32.73282 0.7376082 10.70568       0.4820629 9.932255       0.6623274 11.57694       0.7029660 -2.507830      1.475216  
1 1 1 6   24 33 f 33.82446 1.361402  11.53287       0.9191484 10.57168       1.282620  12.54757       1.317840  -2.912987      2.722804  
1 1 1 6   24 34 o 60.19154 1.091990  37.05432       1.208231  38.05267       1.458099  34.86675       2.158366  2.776852       2.183981  
1 1 1 6   24 35 o 52.68106 0.8338506 27.92224       0.8762119 29.36594       1.217770  26.37250       1.261699  2.847553       1.667701  
1 1 1 6   24 36 o 35.38022 0.8205872 12.58835       0.5720682 12.72283       0.7497026 12.40091       0.8851059 0.4752693      1.641174  
1 1 1 6   24 37 o 37.82790 0.9038358 14.37237       0.6837351 14.65417       0.9735399 14.09807       0.9604869 0.7327080      1.807672  
1 1 1 6   24 38 o 51.87954 1.004992  26.80958       1.036822  24.68717       1.379138  29.56838       1.572365  -4.664532      2.009984  
1 1 1 6   24 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   24 40 f 19.07137 1.067729  3.684034       0.4020149 2.977742       0.5629486 4.419074       0.5742909 -3.776108      2.135459  
1 1 1 6   24 41 o 23.83757 0.9641007 5.717485       0.4574054 4.993799       0.6364037 6.490811       0.6578682 -3.135098      1.928201  
1 1 1 6   24 42 o 52.40965 1.019055  27.66813       1.068116  27.54350       1.502012  27.79564       1.519223  -0.2361641     2.038110  
1 1 1 6   24 43 o 22.03095 1.421164  0.000000       0.000000  ?              ?         4.888247       0.6261917 ?              ?         
1 1 1 6   25 0  o 88.01695 1.011404  77.39206       1.776857  74.67108       2.422358  80.56135       2.614316  -3.335846      2.022807  
1 1 1 6   25 1  o 45.00525 0.6880045 20.00074       0.6151500 22.96953       0.9353039 17.73753       0.8166292 5.808319       1.376009  
1 1 1 6   25 2  f 74.29782 0.8929387 55.23479       1.326153  54.31186       1.839816  56.23288       1.913265  -1.289268      1.785877  
1 1 1 6   25 3  o 26.44035 0.7107756 6.910472       0.3675312 9.205927       0.5525627 5.089182       0.4921946 7.782700       1.421551  
1 1 1 6   25 4  o 123.9979 1.355441  154.1652       3.360991  152.8723       4.707729  155.5092       4.799930  -1.056519      2.710881  
1 1 1 6   25 5  f 42.95101 0.6843519 18.21250       0.5835506 16.42468       0.7705446 20.61688       0.8935893 -4.875599      1.368704  
1 1 1 6   25 6  o 108.3614 1.203236  117.6703       2.607316  116.6869       3.651000  118.6939       3.724709  -0.9211884     2.406471  
1 1 1 6   25 7  o 39.74036 0.8949777 16.15350       0.6511770 14.95425       1.167103  16.69558       0.7846648 -2.209644      1.789955  
1 1 1 6   25 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   25 9  o 69.77179 1.277103  48.73152       1.779794  47.23222       2.442652  50.42837       2.598597  -2.278358      2.554207  
1 1 1 6   25 10 o 63.45723 1.038894  39.23602       1.181805  37.91802       1.380424  42.85321       2.286856  -3.829308      2.077788  
1 1 1 6   25 11 o 112.8399 1.249392  127.7090       2.819617  127.9214       3.992833  127.4978       3.982270  0.1868362      2.498784  
1 1 1 6   25 12 o 102.0598 1.147306  104.4186       2.341655  105.5153       3.339780  103.3582       3.284123  1.052277       2.294612  
1 1 1 6   25 13 f 119.2517 1.591444  143.4334       3.612180  144.6092       4.478690  141.2450       6.109926  1.589981       3.182889  
1 1 1 6   25 14 o 90.82298 1.441417  82.65301       2.614223  85.92465       3.828602  79.79528       3.578225  3.348785       2.882835  
1 1 1 6   25 15 o 34.19493 0.8312095 11.68717       0.5678989 11.15691       0.7826974 12.27667       0.8252521 -1.634670      1.662419  
1 1 1 6   25 16 o 88.53015 1.410646  78.39336       2.489930  82.87137       3.702607  74.69639       3.364248  4.578690       2.821291  
1 1 1 6   25 17 o 106.5643 1.444260  114.1093       2.922588  114.1550       4.987698  114.0854       3.606616  -0.1321640     2.888520  
1 1 1 6   25 18 o 25.68486 0.7129508 6.581716       0.3655823 6.144952       0.5002161 7.082497       0.5356206 -1.822887      1.425902  
1 1 1 6   25 19 o 132.5572 1.446606  176.6314       3.834276  178.9400       5.494008  174.4392       5.353686  1.678757       2.893213  
1 1 1 6   25 20 o 56.97315 0.7736373 32.49626       0.8810918 31.97031       1.223246  33.06334       1.270182  -0.9556084     1.547275  
1 1 1 6   25 21 o 52.31917 0.7459037 27.03370       0.7744716 30.65054       1.188648  24.36557       1.020923  5.993309       1.491807  
1 1 1 6   25 22 f 43.28884 0.7116745 18.73970       0.6155857 18.13154       0.8486047 19.41517       0.8943337 -1.479160      1.423349  
1 1 1 6   25 23 o 52.83521 0.7580195 27.40652       0.7921880 31.95612       1.236985  24.24316       1.031460  7.281555       1.516039  
1 1 1 6   25 24 o 9.055586 1.443601  0.8680853      0.2550875 0.7489716      0.3787013 0.9670154      0.3451280 -1.182847      2.887203  
1 1 1 6   25 25 o 40.33611 0.7037372 16.26070       0.5669728 15.57105       0.7778019 17.04265       0.8282114 -1.819721      1.407474  
1 1 1 6   25 26 o 78.16231 0.9528459 61.23936       1.488464  62.85275       2.155152  59.76788       2.058204  1.961174       1.905692  
1 1 1 6   25 27 o 17.70147 0.8794171 3.141742       0.3112066 3.174854       0.4476492 3.110770       0.4329444 0.1792583      1.758834  
1 1 1 6   25 28 o 90.53534 1.058780  81.85164       1.908900  87.33137       2.864971  77.47678       2.559898  5.397232       2.117560  
1 1 1 6   25 29 o 20.31328 0.8487522 4.136009       0.3444629 4.405608       0.4934869 3.879838       0.4810399 1.292614       1.697504  
1 1 1 6   25 30 o 26.33452 1.550895  7.007479       0.8160730 7.051525       1.131919  6.959803       1.177642  0.1847458      3.101790  
1 1 1 6   25 31 o 46.85497 1.108700  22.33647       1.001319  23.10728       1.270401  21.07216       1.627025  2.235558       2.217399  
1 1 1 6   25 32 o 42.73125 0.7436525 18.29188       0.6352323 18.93524       0.9155030 17.69456       0.8821343 1.447388       1.487305  
1 1 1 6   25 33 o 22.60884 0.8230597 5.086799       0.3701532 5.894058       0.5496262 4.416770       0.5007346 3.259972       1.646119  
1 1 1 6   25 34 o 48.63669 0.8727633 23.77396       0.8314855 23.87737       1.073960  23.61924       1.313747  0.3033104      1.745527  
1 1 1 6   25 35 o 23.88743 0.9253106 5.701871       0.4400057 6.539187       0.6466293 4.979863       0.6004570 3.255562       1.850621  
1 1 1 6   25 36 o 52.50132 1.004729  27.71676       1.054748  27.47006       1.473302  27.97614       1.510679  -0.4744034     2.009458  
1 1 1 6   25 37 o 28.39151 0.9093608 8.056228       0.5136902 6.982197       0.7004169 9.306359       0.7556595 -4.081892      1.818722  
1 1 1 6   25 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   25 39 f 24.55254 0.9539406 6.067063       0.4670427 5.472852       0.6538530 6.686059       0.6673499 -2.467644      1.907881  
1 1 1 6   25 40 o 42.83327 0.9412206 18.46193       0.8062711 18.72269       1.144155  18.20472       1.136364  0.6027908      1.882441  
1 1 1 6   25 41 o 23.86903 0.9727277 5.711450       0.4623657 5.009716       0.6341399 6.507931       0.6755947 -3.128592      1.945455  
1 1 1 6   26 0  o 46.08122 0.6952743 21.24599       0.6404570 21.03815       0.8898356 21.46939       0.9225352 -0.4664803     1.390549  
1 1 1 6   26 1  o 94.47678 1.075007  89.44421       2.031211  89.14861       2.860497  89.74487       2.884789  -0.3138885     2.150013  
1 1 1 6   26 2  o 56.44146 1.464524  0.000000       0.000000  ?              ?         31.91978       1.653197  ?              ?         
1 1 1 6   26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   26 4  o 57.71928 1.152303  33.16243       1.324207  30.99987       1.772805  35.89190       1.991668  -4.220470      2.304605  
1 1 1 6   26 5  o 31.44438 1.015220  10.26065       0.6051474 11.20897       0.7659599 8.685637       0.9871238 4.027592       2.030440  
1 1 1 6   26 6  o 72.67406 0.8852810 52.75069       1.284532  55.36827       1.885406  50.48314       1.754819  3.352859       1.770562  
1 1 1 6   26 7  o 17.61012 0.8563029 3.155460       0.2952056 3.860239       0.4149022 2.432863       0.4201141 4.053020       1.712606  
1 1 1 6   26 8  f 123.0933 1.349462  151.7438       3.316686  157.4410       4.862295  146.7862       4.535719  4.297050       2.698924  
1 1 1 6   26 9  o 63.99681 0.8185472 41.00646       1.047528  40.74761       1.466764  41.27592       1.496542  -0.4110260     1.637094  
1 1 1 6   26 10 o 99.57068 1.124509  99.40618       2.239317  99.18719       3.155500  99.62836       3.178370  -0.2196121     2.249017  
1 1 1 6   26 11 o 71.85783 0.8796003 51.72363       1.264051  51.65944       1.777648  51.78928       1.797799  -0.8895874E-01 1.759201  
1 1 1 6   26 12 o 56.08029 0.7608860 31.48980       0.8533670 31.95772       1.212134  31.02997       1.201621  0.8264999      1.521772  
1 1 1 6   26 13 o 16.30784 0.8595379 2.681295       0.2777648 3.091573       0.3921916 2.268383       0.3934489 2.524000       1.719076  
1 1 1 6   26 14 o 45.97242 0.7080663 21.03196       0.6484480 19.78488       0.8709598 22.58299       0.9713138 -3.037052      1.416133  
1 1 1 6   26 15 o 58.51655 0.7845945 34.27486       0.9177520 33.66811       1.273365  34.93074       1.323905  -1.075230      1.569189  
1 1 1 6   26 16 o 46.24294 0.7091339 21.12128       0.6507230 19.13634       0.8573002 23.81934       0.9995027 -5.053631      1.418268  
1 1 1 6   26 17 f 65.30445 0.8340052 42.72448       1.089176  43.42025       1.553138  42.05120       1.527830  1.046036       1.668010  
1 1 1 6   26 18 o 28.59575 0.7706876 8.288010       0.4334092 8.821684       0.5747666 7.584584       0.6598760 2.169897       1.541375  
1 1 1 6   26 19 o 87.86477 1.406581  77.64410       2.471337  78.80970       3.536135  76.53120       3.455263  1.284378       2.813162  
1 1 1 6   26 20 o 38.73172 0.8683817 15.00918       0.6719362 14.44825       0.9240748 15.63854       0.9788081 -1.531231      1.736763  
1 1 1 6   26 21 o 39.08512 0.8667442 15.31376       0.6775118 15.43986       0.9630973 15.19021       0.9532709 0.3183632      1.733488  
1 1 1 6   26 22 o 30.23057 0.8090335 9.147803       0.4882824 9.352485       0.7153184 8.969220       0.6681622 0.6291714      1.618067  
1 1 1 6   26 23 o 30.57885 0.7497433 9.269526       0.4542168 10.07988       0.7020869 8.686212       0.5956705 2.268410       1.499487  
1 1 1 6   26 24 o 36.32355 0.7098817 13.07843       0.5129408 11.63210       0.6863588 14.90813       0.7719826 -4.501305      1.419763  
1 1 1 6   26 25 o 25.41746 0.7485731 6.477810       0.3802925 6.225672       0.5387536 6.728200       0.5368810 -0.9887390     1.497146  
1 1 1 6   26 26 o 14.04421 1.083094  2.016932       0.2973186 1.545866       0.4243464 2.471178       0.4167017 -3.295443      2.166188  
1 1 1 6   26 27 o 93.95382 1.385103  87.97231       2.384796  91.48627       4.393260  86.50429       2.839576  2.341675       2.770207  
1 1 1 6   26 28 f 27.42022 1.524461  7.595014       0.8352400 8.028338       1.188606  7.172313       1.173946  1.557520       3.048922  
1 1 1 6   26 29 o 31.92134 0.7404783 10.18885       0.4721046 10.86224       0.6881132 9.589973       0.6489225 1.987951       1.480957  
1 1 1 6   26 30 o 35.63328 0.7368095 12.72487       0.5248580 12.19355       0.7338632 13.28121       0.7509544 -1.523972      1.473619  
1 1 1 6   26 31 f 12.97756 1.180199  1.692681       0.3058692 1.752651       0.4474798 1.640089       0.4190474 0.4277468      2.360397  
1 1 1 6   26 32 o 44.42053 0.7925534 19.84017       0.7025287 20.90297       0.9804821 18.71888       1.007104  2.462273       1.585107  
1 1 1 6   26 33 o 26.63216 0.8905599 7.052764       0.4717759 8.129672       0.7061017 6.184344       0.6340784 3.639673       1.781120  
1 1 1 6   26 34 f 44.49104 0.9412785 19.82196       0.8356823 18.85669       1.136128  20.95985       1.233539  -2.345139      1.882557  
1 1 1 6   26 35 o 37.54795 0.9028516 14.15983       0.6777200 13.79810       0.9419391 14.54807       0.9758412 -0.9918900     1.805703  
1 1 1 6   26 36 o 36.07261 0.8929105 13.05752       0.6436557 12.37739       0.8921618 13.79579       0.9295204 -1.958679      1.785821  
1 1 1 6   26 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   26 38 o 62.27436 1.116828  38.99397       1.388389  41.22171       2.041348  37.07644       1.893891  3.287247       2.233657  
1 1 1 6   26 39 o 31.89231 0.9275897 10.20759       0.5906062 11.10451       0.8565461 9.394671       0.8154547 2.671312       1.855179  
1 1 1 6   26 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   27 0  o 71.01816 1.149577  50.69173       1.596045  51.13052       2.055888  50.02612       2.532084  0.8182755      2.299154  
1 1 1 6   27 1  o 54.77230 0.8235188 29.92090       0.8862469 29.40396       1.145865  30.69051       1.398127  -1.158737      1.647038  
1 1 1 6   27 2  f 89.34174 1.030686  79.99506       1.841543  80.82514       2.622854  79.18803       2.586202  0.9132919      2.061372  
1 1 1 6   27 3  o 65.65271 0.8309413 43.10274       1.090162  44.83689       1.581515  41.53278       1.504787  2.511337       1.661883  
1 1 1 6   27 4  o 76.50290 0.9183635 58.62285       1.404949  59.64485       2.007436  57.64163       1.966977  1.306274       1.836727  
1 1 1 6   27 5  o 10.02650 1.327318  1.042977       0.2562574 1.064817       0.3559191 1.019469       0.3692540 0.2362623      2.654635  
1 1 1 6   27 6  o 134.3475 1.461342  181.3658       3.926036  183.2688       5.607654  179.5363       5.498462  1.375854       2.922684  
1 1 1 6   27 7  f 28.76513 0.6904394 8.278268       0.3970778 8.019714       0.5536895 8.552048       0.5697610 -0.9243717     1.380879  
1 1 1 6   27 8  o 38.32400 0.6812676 14.68565       0.5215939 14.34166       0.7177236 15.07068       0.7593233 -0.9486847     1.362535  
1 1 1 6   27 9  o 12.55188 1.095955  1.601957       0.2661330 2.121507       0.3832667 1.118196       0.3698308 3.995395       2.191911  
1 1 1 6   27 10 o 37.34906 0.6798235 13.95335       0.5073222 14.84963       0.7286350 13.11001       0.7067875 2.327503       1.359647  
1 1 1 6   27 11 o 91.01578 1.049995  83.08022       1.911156  82.57767       2.682045  83.59864       2.724009  -0.5566330     2.099990  
1 1 1 6   27 12 o 86.41156 1.009812  74.47709       1.738515  79.44561       2.600634  70.46275       2.337609  5.170944       2.019624  
1 1 1 6   27 13 o 68.13737 0.8572494 46.35693       1.165360  44.21182       1.582035  48.90171       1.723124  -3.428947      1.714499  
1 1 1 6   27 14 o 32.35308 0.6924182 10.41049       0.4451786 12.22168       0.6573332 8.875876       0.6050648 5.166986       1.384836  
1 1 1 6   27 15 o 79.84511 0.9544100 63.69246       1.519774  60.98473       2.057802  66.94159       2.254164  -3.710182      1.908820  
1 1 1 6   27 16 o 52.40084 0.7563146 27.41702       0.7913203 29.35378       1.158291  25.72188       1.083628  3.459225       1.512629  
1 1 1 6   27 17 o 45.86428 0.7222343 21.04243       0.6619420 20.38796       0.9135593 21.76583       0.9604551 -1.498192      1.444469  
1 1 1 6   27 18 o 32.80073 0.7016127 10.79903       0.4593202 11.35430       0.6414055 10.21454       0.6580688 1.738796       1.403225  
1 1 1 6   27 19 o 48.96931 0.7386389 23.96198       0.7219616 23.06645       0.9840019 25.00616       1.062530  -1.973236      1.477278  
1 1 1 6   27 20 o 58.72257 0.8015974 34.56609       0.9414210 34.65544       1.328559  34.47598       1.334199  0.1534004      1.603195  
1 1 1 6   27 21 o 47.86020 0.7517543 22.62949       0.7144189 26.07466       1.090009  20.03494       0.9459240 6.295109       1.503509  
1 1 1 6   27 22 o 24.53359 0.7510884 6.035031       0.3682595 5.946330       0.5288808 6.118511       0.5130740 -0.3525352     1.502177  
1 1 1 6   27 23 o 20.22982 0.8341981 4.106489       0.3372542 4.022531       0.4834023 4.186108       0.4707483 -0.4057961     1.668396  
1 1 1 6   27 24 o 64.37697 1.232480  41.90457       1.576223  39.66604       2.330621  43.79157       2.139814  -3.238438      2.464959  
1 1 1 6   27 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   27 26 o 37.91741 0.8839381 14.19350       0.6648476 12.40389       0.8774409 16.60612       1.018785  -5.521152      1.767876  
1 1 1 6   27 27 o 14.26507 1.191641  2.041766       0.3380587 2.364273       0.4933268 1.756245       0.4641777 2.125187       2.383282  
1 1 1 6   27 28 o 17.47855 1.023318  3.066458       0.3536104 3.100431       0.5441346 3.041621       0.4652429 0.1540394      2.046637  
1 1 1 6   27 29 o 29.56326 0.7630810 8.764426       0.4511552 8.892599       0.6417971 8.639220       0.6343281 0.4275208      1.526162  
1 1 1 6   27 30 o 75.80019 1.023444  57.50974       1.531337  56.19086       1.999727  59.37973       2.381142  -2.030907      2.046888  
1 1 1 6   27 31 o 20.80983 0.9513165 4.343538       0.3949637 3.933820       0.5463591 4.792022       0.5716230 -2.057268      1.902633  
1 1 1 6   27 32 o 44.67770 0.9342517 20.04015       0.8343689 19.36491       1.158035  20.76911       1.203213  -1.562916      1.868503  
1 1 1 6   27 33 o 36.35400 0.8878415 13.23730       0.6444074 12.30606       0.8837231 14.29473       0.9416962 -2.723682      1.775683  
1 1 1 6   27 34 o 40.30921 0.9177524 16.31138       0.7393667 15.59993       1.024646  17.08422       1.067942  -1.832375      1.835505  
1 1 1 6   27 35 o 41.32413 0.9287015 17.12144       0.7664031 16.14630       1.050559  18.23082       1.120537  -2.507198      1.857403  
1 1 1 6   27 36 o 47.85975 1.379936  23.05822       1.320868  23.05822       1.320868  ?              ?         ?              ?         
1 1 1 6   27 37 o 74.96016 1.271495  56.61960       1.901906  59.80535       2.807716  53.91833       2.585417  3.857117       2.542990  
1 1 1 6   27 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   28 0  o 85.33663 0.9966779 72.96329       1.700269  74.62449       2.450634  71.42146       2.360960  1.868362       1.993356  
1 1 1 6   28 1  o 113.3101 1.258080  128.9239       2.850935  129.9005       4.055519  127.9698       4.008554  0.8463745      2.516161  
1 1 1 6   28 2  o 38.14087 0.6932324 14.23147       0.5225995 12.28149       0.6799641 17.04565       0.8168593 -6.236397      1.386465  
1 1 1 6   28 3  o 25.22764 0.7275568 6.356730       0.3665021 6.085179       0.5012347 6.668721       0.5372632 -1.154003      1.455114  
1 1 1 6   28 4  o 35.03097 0.6903723 12.13457       0.4798148 14.52534       0.7213814 10.23771       0.6425593 6.114388       1.380745  
1 1 1 6   28 5  o 61.83369 0.8060305 38.30014       0.9966391 38.03573       1.395171  38.57566       1.424198  -0.4342232     1.612061  
1 1 1 6   28 6  o 65.27116 0.8349392 42.58793       1.087973  41.09550       1.485533  44.31458       1.597853  -2.456261      1.669878  
1 1 1 6   28 7  o 79.31798 0.9476207 62.86163       1.499787  66.20657       2.214857  60.02906       2.038180  3.876701       1.895241  
1 1 1 6   28 8  o 64.36922 0.8251309 41.32831       1.058859  39.28183       1.429574  43.81555       1.576019  -3.508976      1.650262  
1 1 1 6   28 9  o 60.02941 0.7936119 35.96930       0.9508293 38.22765       1.400767  34.03964       1.294825  3.479397       1.587224  
1 1 1 6   28 10 o 16.44585 0.8829728 2.709081       0.2902520 2.581089       0.4049662 2.844287       0.4162218 -0.7991276     1.765946  
1 1 1 6   28 11 o 67.22037 0.8526651 45.14697       1.144320  47.72772       1.680147  42.91402       1.562841  3.569435       1.705330  
1 1 1 6   28 12 o 54.95766 0.7653164 30.26261       0.8411305 30.68853       1.188926  29.83581       1.190151  0.7759094      1.530633  
1 1 1 6   28 13 o 22.06987 0.7756661 4.829444       0.3390492 3.966741       0.4566923 5.888816       0.5060776 -4.350037      1.551332  
1 1 1 6   28 14 f 33.88802 0.6959233 11.49998       0.4710364 12.32849       0.6734089 10.70629       0.6591135 2.392258       1.391847  
1 1 1 6   28 15 o 55.38305 0.7739502 30.65411       0.8560886 32.52450       1.250169  29.00264       1.174733  3.172188       1.547900  
1 1 1 6   28 16 o 71.95074 0.8960015 51.65604       1.284668  48.97252       1.729475  54.95937       1.918835  -4.138222      1.792003  
1 1 1 6   28 17 o 111.1354 1.246385  124.2387       2.770309  124.1191       3.906471  124.3598       3.929246  -0.1044769     2.492771  
1 1 1 6   28 18 o 76.20777 0.9309012 58.25101       1.418577  59.25343       2.030116  57.29453       1.983054  1.279282       1.861802  
1 1 1 6   28 19 f 48.45030 0.7471925 23.50266       0.7235258 22.94308       1.000706  24.11558       1.047325  -1.205166      1.494385  
1 1 1 6   28 20 o 63.79684 0.8382047 40.60330       1.066261  43.59015       1.585131  38.13493       1.440995  4.258053       1.676409  
1 1 1 6   28 21 o 47.21671 1.210218  22.43066       1.142775  22.67321       1.613728  22.18666       1.618540  0.5160866      2.420437  
1 1 1 6   28 22 o 25.35367 1.342112  6.702462       0.6155715 7.044246       0.7395824 5.931807       1.110557  2.265480       2.684225  
1 1 1 6   28 23 o 44.52522 0.7397646 19.86042       0.6585024 19.39446       0.9156209 20.35965       0.9477352 -1.080067      1.479529  
1 1 1 6   28 24 o 11.75697 1.353894  1.513795       0.2904812 0.8072404      0.4164655 2.183184       0.4053644 -5.969680      2.707788  
1 1 1 6   28 25 o 28.21900 0.7474470 7.968817       0.4213075 7.443580       0.5822662 8.545970       0.6103640 -1.949579      1.494894  
1 1 1 6   28 26 f 12.15342 1.213388  1.490490       0.2943078 1.438989       0.4256717 1.537654       0.4073600 -0.4098377     2.426776  
1 1 1 6   28 27 o 43.88559 0.7922487 18.87856       0.6833246 17.09892       0.8737691 21.68080       1.096433  -5.188160      1.584497  
1 1 1 6   28 28 o 62.07409 0.9044209 38.67633       1.114142  38.48674       1.484501  38.92086       1.685916  -0.3146935     1.808842  
1 1 1 6   28 29 f 11.03462 1.521313  1.286431       0.3257557 0.8306642      0.4593062 1.747724       0.4620826 -4.256986      3.042627  
1 1 1 6   28 30 o 24.65440 0.9092364 6.111583       0.4480508 5.891857       0.6358222 6.328316       0.6314791 -0.8859806     1.818473  
1 1 1 6   28 31 o 39.43935 0.9015335 15.62667       0.7108878 15.93499       1.021360  15.33696       0.9900647 0.7518578      1.803067  
1 1 1 6   28 32 o 61.28409 1.098295  37.70699       1.343002  35.97038       1.824605  39.76021       1.983971  -3.053223      2.196590  
1 1 1 6   28 33 o 57.69410 1.060128  33.52980       1.223225  33.21103       1.722483  33.85414       1.737418  -0.5536652     2.120256  
1 1 1 6   28 34 o 31.98701 1.276504  0.000000       0.000000  ?              ?         10.29050       0.8166308 ?              ?         
1 1 1 6   28 35 o 44.73160 0.9604725 20.13269       0.8591380 19.65452       1.205557  20.62614       1.224678  -1.081547      1.920945  
1 1 1 6   28 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   29 0  o 53.63032 0.7558045 28.79141       0.8100950 28.28054       1.120747  29.35034       1.172284  -0.9931259     1.511609  
1 1 1 6   29 1  o 81.90965 0.9718038 67.27293       1.591675  66.52834       2.224131  68.05457       2.278802  -0.9258041     1.943608  
1 1 1 6   29 2  o 81.82901 0.9692906 67.14426       1.586138  68.02602       2.264353  66.29478       2.222507  1.053329       1.938581  
1 1 1 6   29 3  f 14.76132 1.002219  2.208137       0.2925399 2.385346       0.3959375 1.995100       0.4341218 1.326118       2.004439  
1 1 1 6   29 4  o 57.90838 0.7847683 33.57746       0.9084488 32.90627       1.261018  34.30163       1.309855  -1.200439      1.569537  
1 1 1 6   29 5  f 69.45089 0.8703023 48.06949       1.204484  51.66984       1.799580  45.14769       1.621153  4.677567       1.740605  
1 1 1 6   29 6  f 138.1152 1.506109  192.1730       4.159901  190.7700       5.833325  193.6248       5.933943  -1.015701      3.012218  
1 1 1 6   29 7  o 26.81352 0.7285862 7.182147       0.3892676 8.103154       0.5658876 6.354878       0.5363171 3.257498       1.457172  
1 1 1 6   29 8  f 90.35927 1.046808  81.77594       1.888848  85.09449       2.766428  78.87786       2.585237  3.416817       2.093616  
1 1 1 6   29 9  o 53.31760 0.7595389 28.44166       0.8090079 27.61962       1.112328  29.36486       1.178781  -1.630352      1.519078  
1 1 1 6   29 10 o 40.39655 0.7058657 16.33192       0.5699074 17.19130       0.8193068 15.52630       0.7932655 2.058468       1.411731  
1 1 1 6   29 11 o 42.20251 0.7056124 17.83740       0.5951048 17.69833       0.8239813 17.98904       0.8604107 -0.3410645     1.411225  
1 1 1 6   29 12 o 42.82381 0.7112420 18.24968       0.6069617 20.45534       0.8992585 16.40403       0.8226017 4.722919       1.422484  
1 1 1 6   29 13 o 111.6040 1.249931  125.2927       2.789763  124.6718       3.919196  125.9304       3.971975  -0.5549088     2.499862  
1 1 1 6   29 14 f 39.01154 0.7113134 15.20841       0.5538121 16.67793       0.8042930 13.88348       0.7636999 3.577637       1.422627  
1 1 1 6   29 15 o 49.35170 0.7431228 24.40590       0.7330665 24.32093       1.018763  24.49713       1.055646  -0.1746902     1.486246  
1 1 1 6   29 16 o 58.78517 0.8026091 34.64835       0.9435007 34.69139       1.323831  34.60392       1.345045  0.7684708E-01  1.605218  
1 1 1 6   29 17 o 12.79217 1.725423  1.429172       0.3583821 2.198250       0.8233908 1.249422       0.3980657 3.302210       3.450845  
1 1 1 6   29 18 o 50.19163 1.204663  25.27300       1.206427  24.36324       1.640016  26.34587       1.780978  -1.949970      2.409325  
1 1 1 6   29 19 o 71.08261 1.154203  50.58368       1.494246  50.24786       1.775298  51.39967       2.767297  -0.6369705     2.308406  
1 1 1 6   29 20 o 44.19554 0.7433402 19.57412       0.6568434 19.24889       0.9151734 19.91965       0.9432986 -0.7554016     1.486680  
1 1 1 6   29 21 o 34.39678 0.7309822 11.73620       0.5001856 10.48970       0.6686859 13.31957       0.7536498 -4.102776      1.461964  
1 1 1 6   29 22 o 25.96721 0.7708009 6.712674       0.3978321 5.744164       0.5397627 7.864567       0.5886497 -4.076231      1.541602  
1 1 1 6   29 23 o 51.23720 0.7803661 26.27032       0.7985832 25.16683       1.094912  27.52452       1.167294  -2.290775      1.560732  
1 1 1 6   29 24 o 40.40606 0.7434796 16.12531       0.5962642 14.13975       0.7890017 18.76932       0.9104730 -5.712463      1.486959  
1 1 1 6   29 25 o 23.36856 0.8155643 5.449151       0.3798565 6.117657       0.5596836 4.878233       0.5172219 2.645315       1.631129  
1 1 1 6   29 26 o 14.12677 1.119866  2.010076       0.3147094 2.293023       0.4524619 1.744901       0.4380218 1.936814       2.239733  
1 1 1 6   29 27 o 18.91356 0.9760859 3.594670       0.3690212 3.430192       0.5156323 3.767359       0.5283497 -0.8888168     1.952172  
1 1 1 6   29 28 o 25.95178 0.8635109 6.767621       0.4479669 6.806683       0.6247081 6.726273       0.6427174 0.1583652      1.727022  
1 1 1 6   29 29 o 40.07671 0.9075550 16.14404       0.7274343 16.11280       1.029238  16.17522       1.028258  -0.7807159E-01 1.815110  
1 1 1 6   29 30 o 9.678488 1.670018  0.9426510      0.3280292 1.428873       0.5051283 0.5880691      0.4313626 3.989013       3.340036  
1 1 1 6   29 31 o 23.06595 0.9606952 5.369380       0.4413692 4.827945       0.6257296 5.905519       0.6226623 -2.336554      1.921390  
1 1 1 6   29 32 o 39.85930 0.9281297 15.84948       0.7367330 14.28070       0.9911892 17.78610       1.101281  -4.371422      1.856259  
1 1 1 6   29 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   29 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   30 0  o 97.15498 1.110508  94.55559       2.153115  91.05794       2.930534  98.65837       3.173939  -3.876289      2.221016  
1 1 1 6   30 1  o 91.87074 1.060696  84.55216       1.945627  88.09875       2.854429  81.47453       2.659017  3.578041       2.121393  
1 1 1 6   30 2  o 78.47371 0.9435310 61.71873       1.479667  60.19787       2.043700  63.39426       2.145112  -2.023979      1.887062  
1 1 1 6   30 3  o 19.75956 0.8397329 3.905403       0.3305486 3.443810       0.4561643 4.415754       0.4796521 -2.456816      1.679466  
1 1 1 6   30 4  o 48.71099 0.7317009 23.65004       0.7107829 22.12093       0.9617742 25.49029       1.055092  -3.449375      1.463402  
1 1 1 6   30 5  o 59.37178 0.8022019 35.32851       0.9523128 35.00292       1.329186  35.67191       1.365078  -0.5595093     1.604404  
1 1 1 6   30 6  o 71.60821 0.8933384 51.39830       1.278901  52.71942       1.840557  50.16499       1.778327  1.776077       1.786677  
1 1 1 6   30 7  f 60.59717 0.8127704 36.81091       0.9847651 36.70292       1.375816  36.92436       1.410155  -0.1789093     1.625541  
1 1 1 6   30 8  o 46.68908 0.7270120 21.84135       0.6787444 21.74460       0.9498541 21.94231       0.9702501 -0.2096901     1.454024  
1 1 1 6   30 9  o 14.16501 1.047070  2.019028       0.2946846 2.318663       0.4215683 1.732719       0.4120875 2.066909       2.094139  
1 1 1 6   30 10 o 42.44560 0.7205682 18.05869       0.6115307 18.35571       0.8597292 17.75449       0.8700328 0.7092781      1.441136  
1 1 1 6   30 11 o 28.32085 0.7369899 8.034057       0.4159051 9.000018       0.5983773 7.131255       0.5784842 3.297152       1.473980  
1 1 1 6   30 12 o 114.2351 1.278890  131.3648       2.921658  132.4581       4.163342  130.3041       4.101059  0.9311295      2.557781  
1 1 1 6   30 13 f 19.42884 1.303218  3.692125       0.4225454 4.002237       0.9082617 3.606467       0.4773484 0.9386749      2.606436  
1 1 1 6   30 14 o 25.48515 1.431294  6.552510       0.7277365 7.168726       1.040262  5.961881       1.018435  2.363049       2.862589  
1 1 1 6   30 15 o 37.65290 1.010677  14.25647       0.6527072 14.27028       0.7505007 14.21357       1.322372  0.1630707      2.021355  
1 1 1 6   30 16 o 46.77280 0.7440354 21.91380       0.6956407 22.91140       0.9998186 20.97773       0.9684979 2.063213       1.488071  
1 1 1 6   30 17 o 38.21729 0.7252231 14.63387       0.5540282 14.37018       0.7686506 14.91900       0.7992746 -0.7141762     1.450446  
1 1 1 6   30 18 o 8.732607 1.549205  0.8032092      0.2732629 0.6278878      0.3875865 0.9764931      0.3853276 -1.830917      3.098410  
1 1 1 6   30 19 o 27.94386 0.7436146 7.814202       0.4150706 7.521702       0.5698395 8.144791       0.6058072 -1.110174      1.487229  
1 1 1 6   30 20 o 22.84160 0.8119505 5.164002       0.3652766 4.025159       0.4889495 6.602338       0.5494929 -5.632746      1.623901  
1 1 1 6   30 21 o 51.54613 0.7763368 26.64804       0.8001452 26.42519       1.117328  26.88264       1.146384  -0.4395714     1.552674  
1 1 1 6   30 22 o 41.99178 0.7377712 17.67155       0.6193461 18.35563       0.8895110 17.02783       0.8628713 1.577229       1.475542  
1 1 1 6   30 23 o 15.51726 1.005264  2.428579       0.3110520 2.283731       0.4480572 2.563332       0.4321611 -0.9041100     2.010528  
1 1 1 6   30 24 f 26.15304 0.7692589 6.863531       0.4023280 6.830246       0.5722697 6.896062       0.5657419 -0.1268501     1.538518  
1 1 1 6   30 25 o 47.29548 0.8607525 22.54863       0.7979491 22.86990       1.034725  22.07722       1.253397  0.8792496      1.721505  
1 1 1 6   30 26 o 55.86588 0.9349551 31.22466       1.010925  30.77096       1.273531  31.99755       1.662205  -1.017822      1.869910  
1 1 1 6   30 27 o 53.47761 1.017758  28.73096       1.087164  27.74950       1.492322  29.84091       1.587007  -1.933887      2.035516  
1 1 1 6   30 28 o 30.14933 0.9058755 9.054996       0.5437077 10.14614       0.8161731 8.184436       0.7290236 3.234917       1.811751  
1 1 1 6   30 29 o 21.73721 0.9837735 4.750953       0.4273923 4.929048       0.6185949 4.588292       0.5911843 0.7771206      1.967547  
1 1 1 6   30 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   30 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   31 0  o 31.74236 0.8369511 10.33112       0.5111843 11.05111       0.6539258 9.199842       0.8196859 2.935797       1.673902  
1 1 1 6   31 1  o 42.37226 0.9409621 17.66817       0.7890934 15.58531       1.029798  20.63044       1.228103  -5.926186      1.881924  
1 1 1 6   31 2  o 35.57330 0.9001234 12.69455       0.6403370 12.95407       0.9120108 12.44224       0.8992701 0.7177238      1.800247  
1 1 1 6   31 3  o 58.43420 1.069019  33.91068       1.239573  31.31586       1.633352  37.43500       1.903548  -5.193699      2.138038  
1 1 1 6   31 4  o 48.30720 0.8626998 23.24467       0.8039023 24.01939       1.335415  22.80436       1.006758  1.216404       1.725400  
1 1 1 6   31 5  o 51.48069 0.7567307 26.23965       0.7739365 29.52674       1.180388  23.76099       1.025008  5.582664       1.513461  
1 1 1 6   31 6  o 17.05582 0.9423183 2.918646       0.3208845 2.900909       0.4404100 2.938717       0.4684890 -0.1069336     1.884637  
1 1 1 6   31 7  o 46.23204 0.7382765 21.41823       0.6824671 22.11044       0.9726478 20.74695       0.9578314 1.472980       1.476553  
1 1 1 6   31 8  o 48.54225 0.8311793 23.40583       0.7922073 24.80016       1.260896  22.49644       1.018288  2.342075       1.662359  
1 1 1 6   31 9  o 48.43365 1.190785  23.61478       1.153078  24.05199       1.619944  23.16578       1.641669  0.9189606      2.381570  
1 1 1 6   31 10 o 43.95140 1.186668  19.45324       1.042408  19.77345       1.455289  19.11584       1.493843  0.7556000      2.373336  
1 1 1 6   31 11 o 24.85456 0.7765151 6.189613       0.3856986 6.058092       0.5330109 6.334183       0.5588248 -0.5520153     1.553030  
1 1 1 6   31 12 o 61.69275 0.8329351 37.86342       1.022186  35.18530       1.361926  41.31818       1.546846  -4.943680      1.665870  
1 1 1 6   31 13 o 36.87070 0.7161111 13.63489       0.5278156 14.06988       0.7445565 13.19545       0.7483460 1.186283       1.432222  
1 1 1 6   31 14 o 53.85950 0.7825727 29.10087       0.8428475 29.37203       1.185102  28.82332       1.198951  0.5112991      1.565145  
1 1 1 6   31 15 o 41.57585 0.7383805 17.33308       0.6136423 17.34583       0.8540409 17.31948       0.8822911 0.3537369E-01  1.476761  
1 1 1 6   31 16 o 13.28759 1.140085  1.789600       0.2984215 2.172806       0.4261782 1.420953       0.4180038 2.827509       2.280171  
1 1 1 6   31 17 o 50.73901 0.7747130 25.79109       0.7855512 24.98089       1.085036  26.68354       1.138786  -1.670162      1.549426  
1 1 1 6   31 18 o 9.676225 1.480858  0.9854542      0.2779682 0.9404249      0.4044325 1.025770       0.3826813 -0.4484901     2.961716  
1 1 1 6   31 19 o 54.03685 0.7898540 29.29419       0.8534642 30.09867       1.217135  28.51600       1.197076  1.461288       1.579708  
1 1 1 6   31 20 o 45.01032 0.7506225 20.30903       0.6753935 21.19845       0.9687824 19.46798       0.9420785 1.918282       1.501245  
1 1 1 6   31 21 o 31.62615 0.7475619 10.03679       0.4724342 10.59115       0.6719221 9.494786       0.6643872 1.732128       1.495124  
1 1 1 6   31 22 o 28.64441 0.7648751 8.227057       0.4377566 8.759163       0.6291391 7.727665       0.6094911 1.797169       1.529750  
1 1 1 6   31 23 f 11.07029 1.391591  1.255359       0.2997868 1.482384       0.4392097 1.057334       0.4102004 2.086222       2.783182  
1 1 1 6   31 24 o 23.78580 0.8903292 5.657666       0.4224072 5.157172       0.5758205 6.240799       0.6215442 -2.268753      1.780658  
1 1 1 6   31 25 o 19.35894 1.028008  3.774386       0.3974024 3.763091       0.5778771 3.784521       0.5473855 -0.6265068E-01 2.056016  
1 1 1 6   31 26 o 27.26143 0.9291105 7.461863       0.5036172 6.408103       0.6950179 8.626826       0.7307709 -4.061188      1.858221  
1 1 1 6   31 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   31 28 o 17.60185 1.782824  3.132290       0.6276200 3.132290       0.6276200 ?              ?         ?              ?         
1 1 1 6   31 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   32 0  o 19.90528 0.8838633 4.011438       0.3467890 4.813642       0.4920807 3.219886       0.4888033 4.002865       1.767727  
1 1 1 6   32 1  o 60.01572 0.8133388 36.12475       0.9758477 35.81492       1.357926  36.45564       1.403306  -0.5274506     1.626678  
1 1 1 6   32 2  o 14.27904 1.131099  2.047244       0.3169510 1.551593       0.4327535 2.620769       0.4655097 -3.737570      2.262198  
1 1 1 6   32 3  o 65.18013 1.075569  42.93257       1.308174  42.14759       2.299828  43.30803       1.590550  -1.020508      2.151138  
1 1 1 6   32 4  o 39.73063 1.165811  15.70946       0.9208323 13.76033       1.232095  18.17575       1.385947  -5.525299      2.331622  
1 1 1 6   32 5  o 58.19028 1.219976  34.12368       1.419267  34.69899       1.991056  33.52938       2.023633  1.011974       2.439952  
1 1 1 6   32 6  o 9.937679 1.597817  0.9829704      0.3092217 0.7077242      0.3958507 1.413857       0.4952820 -3.393018      3.195635  
1 1 1 6   32 7  o 24.46905 0.9431106 6.003851       0.4608893 5.836008       0.6320124 6.194487       0.6735615 -0.7256069     1.886221  
1 1 1 6   32 8  o 32.24026 0.8967401 10.42742       0.5778387 10.97754       0.8292735 9.908237       0.8056148 1.654589       1.793480  
1 1 1 6   32 9  o 26.20687 0.9236999 6.781908       0.4776723 8.573552       0.7242741 5.402699       0.6354662 6.035236       1.847400  
1 1 1 6   32 10 f 57.52758 0.9446486 32.80891       1.039473  34.71610       1.769825  31.80454       1.284335  2.449127       1.889297  
1 1 1 6   32 11 o 35.67452 0.7255796 12.60068       0.5144020 11.23484       0.6835082 14.38478       0.7811860 -4.401943      1.451159  
1 1 1 6   32 12 o 44.20779 0.7402786 19.60297       0.6543484 19.75545       0.9170353 19.44481       0.9339738 0.3536873      1.480557  
1 1 1 6   32 13 o 11.82734 1.269914  1.415456       0.2994399 1.313815       0.4291961 1.511849       0.4179708 -0.8399229     2.539829  
1 1 1 6   32 14 o 56.23489 0.7989710 31.73288       0.8985221 32.33043       1.277499  31.14788       1.264013  1.049305       1.597942  
1 1 1 6   32 15 o 45.51566 0.7522374 20.69844       0.6833572 22.46012       1.002732  19.17072       0.9337749 3.603134       1.504475  
1 1 1 6   32 16 o 75.63589 0.9398235 57.46564       1.420970  56.54679       1.972613  58.45670       2.048652  -1.248077      1.879647  
1 1 1 6   32 17 o 24.26762 0.7956808 5.908613       0.3859934 5.651556       0.5396681 6.177849       0.5523053 -1.082197      1.591362  
1 1 1 6   32 18 o 50.49278 0.7757479 25.56139       0.7829103 26.72414       1.129133  24.48478       1.086502  2.210117       1.551496  
1 1 1 6   32 19 o 60.53586 0.8397834 36.79956       1.016403  36.51798       1.416977  37.09800       1.458755  -0.4713211     1.679567  
1 1 1 6   32 20 o 63.80685 0.9259056 41.07141       1.175957  42.63997       1.606161  39.25909       1.726456  2.674000       1.851811  
1 1 1 6   32 21 f 19.62242 0.9723569 3.873887       0.3814951 3.868956       0.5331565 3.879061       0.5461080 -0.2285957E-01 1.944714  
1 1 1 6   32 22 o 54.28374 1.031357  29.60014       1.118233  31.42359       1.631224  27.98354       1.535917  3.145145       2.062713  
1 1 1 6   32 23 o 9.453356 1.517088  1.048948       0.3817548 -0.6513821     0.6726431 1.856874       0.4636645 -8.206313      3.034175  
1 1 1 6   32 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   32 25 f 16.27400 1.162480  2.690810       0.3757212 2.387564       0.5403556 2.974651       0.5227802 -1.808735      2.324960  
1 1 1 6   32 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   33 0  o 47.49832 0.7616113 22.57411       0.7224838 24.28041       1.049199  21.03540       0.9963422 3.408520       1.523223  
1 1 1 6   33 1  o 51.94919 0.7733263 26.95185       0.8012505 25.52854       1.084898  28.65983       1.188447  -2.999016      1.546653  
1 1 1 6   33 2  o 84.32826 1.008548  71.48643       1.700898  72.22039       2.419829  70.76970       2.391292  0.8547821      2.017095  
1 1 1 6   33 3  o 51.42964 0.7715557 26.41471       0.7911319 25.11035       1.068626  27.99664       1.176846  -2.790359      1.543111  
1 1 1 6   33 4  o 35.70282 0.7273222 12.78734       0.5191144 12.94678       0.7261115 12.62065       0.7424378 0.4589844      1.454644  
1 1 1 6   33 5  o 55.64533 0.7932741 31.04370       0.8821815 30.42041       1.219777  31.72727       1.277403  -1.165455      1.586548  
1 1 1 6   33 6  o 49.49855 0.7630359 24.53916       0.7542589 23.87667       1.033645  25.29368       1.103106  -1.420990      1.526072  
1 1 1 6   33 7  o 34.17830 0.7325013 11.64102       0.4989817 10.79896       0.6725827 12.67185       0.7441681 -2.729500      1.465003  
1 1 1 6   33 8  o 38.78517 0.7341253 14.91333       0.5660101 13.45923       0.7522218 16.81109       0.8593510 -4.305382      1.468251  
1 1 1 6   33 9  o 34.54282 0.7387220 11.98760       0.5094998 12.64327       0.7154406 11.31288       0.7257532 1.927235       1.477444  
1 1 1 6   33 10 o 35.29463 0.7424544 12.48936       0.5229979 13.62628       0.7504023 11.41546       0.7293101 3.128765       1.484909  
1 1 1 6   33 11 o 78.49245 0.9645945 61.93769       1.514085  62.91479       2.161597  60.99655       2.121447  1.213776       1.929189  
1 1 1 6   33 12 o 30.18708 0.7593799 9.145021       0.4584298 9.311046       0.6502981 8.981002       0.6463552 0.5460072      1.518760  
1 1 1 6   33 13 o 71.14468 1.078358  50.56946       1.456313  49.68059       1.789113  52.31486       2.507061  -1.679962      2.156716  
1 1 1 6   33 14 o 43.65966 0.9375547 19.14184       0.8180454 20.18980       1.179233  18.16971       1.135772  2.304436       1.875109  
1 1 1 6   33 15 o 56.25249 1.048743  31.70315       1.175894  30.04158       1.585505  33.73436       1.753015  -3.243492      2.097485  
1 1 1 6   33 16 o 48.11863 0.9716106 23.17675       0.9325755 24.99104       1.381009  21.65588       1.264413  3.439995       1.943221  
1 1 1 6   33 17 o 35.11358 0.8993484 12.23645       0.6275337 10.81621       0.8348410 14.08130       0.9514900 -4.625019      1.798697  
1 1 1 6   33 18 o 26.61801 0.9195312 7.112230       0.4886165 7.750085       0.7066103 6.527756       0.6763957 2.289391       1.839062  
1 1 1 6   33 19 o 50.72659 0.9991631 25.75234       1.010452  28.14839       1.502215  23.77247       1.365534  4.278965       1.998326  
1 1 1 6   33 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   33 21 o 53.07984 1.453281  28.37996       1.542798  28.37996       1.542798  ?              ?         ?              ?         
1 1 1 6   33 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   34 0  f 113.5694 1.281188  130.2404       2.909379  128.7776       4.061873  131.7814       4.169189  -1.292702      2.562377  
1 1 1 6   34 1  f 20.24410 0.9393865 4.139639       0.3763747 4.882160       0.5370437 3.422922       0.5276296 3.602198       1.878773  
1 1 1 6   34 2  o 69.74013 0.8983462 48.85553       1.252346  48.12814       1.737944  49.64117       1.806197  -1.071251      1.796692  
1 1 1 6   34 3  o 90.89799 1.567705  83.76557       2.847054  86.85568       4.143639  81.00217       3.918474  3.141243       3.135410  
1 1 1 6   34 4  o 39.74089 1.209477  15.93522       0.9603630 16.91889       1.371511  14.98895       1.345189  2.421051       2.418954  
1 1 1 6   34 5  o 54.24900 1.038391  29.49290       1.038184  29.98409       1.883405  29.27849       1.244295  0.5048981      2.076782  
1 1 1 6   34 6  o 54.63763 0.7976586 29.88418       0.8702851 31.61471       1.274654  28.37302       1.191125  2.951744       1.595317  
1 1 1 6   34 7  o 19.49195 0.9216943 3.817483       0.3592180 3.717866       0.5014595 3.922483       0.5148260 -0.5221577     1.843389  
1 1 1 6   34 8  o 55.94337 0.8024584 31.36715       0.8970463 33.05719       1.299575  29.82909       1.239767  2.874565       1.604917  
1 1 1 6   34 9  o 14.03952 1.144440  1.985631       0.3211667 2.037784       0.4638119 1.937587       0.4451588 0.3520794      2.288879  
1 1 1 6   34 10 o 93.19856 1.097417  87.53008       2.045547  87.84958       2.895938  87.21191       2.889753  0.3405609      2.194834  
1 1 1 6   34 11 o 30.94085 0.7738130 9.540632       0.4768776 8.483450       0.6458067 10.80829       0.7071774 -3.745955      1.547626  
1 1 1 6   34 12 o 93.74368 1.104195  88.59417       2.070207  88.60535       2.921570  88.58288       2.933900  0.1519775E-01  2.208390  
1 1 1 6   34 13 o 44.38522 0.7687266 19.74037       0.6816115 18.95267       0.9367861 20.62653       0.9936103 -1.874954      1.537453  
1 1 1 6   34 14 o 46.06039 0.8351576 21.38384       0.7648618 20.67994       1.134167  21.97100       1.035861  -1.422058      1.670315  
1 1 1 6   34 15 o 45.53102 1.363832  0.000000       0.000000  ?              ?         20.86758       1.241933  ?              ?         
1 1 1 6   34 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   34 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   34 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   35 0  o 54.80864 0.8034849 30.15053       0.8803986 31.37746       1.260961  28.98356       1.229768  2.177982       1.606970  
1 1 1 6   35 1  o 10.93762 1.475354  1.234992       0.3154841 1.060248       0.4382784 1.422899       0.4544867 -1.836864      2.950709  
1 1 1 6   35 2  o 64.94200 0.8576370 42.36436       1.113677  43.33243       1.595611  41.44480       1.555123  1.445061       1.715274  
1 1 1 6   35 3  o 37.60439 0.7534533 14.06573       0.5635097 16.31133       0.8397577 12.22626       0.7600385 5.417221       1.506907  
1 1 1 6   35 4  o 34.62518 0.7486853 12.04080       0.5181396 12.52116       0.7322587 11.55911       0.7332623 1.389420       1.497371  
1 1 1 6   35 5  o 78.19701 0.9699863 61.52035       1.516622  63.02737       2.173928  60.09140       2.116864  1.863586       1.939973  
1 1 1 6   35 6  o 27.06161 0.8003344 7.353634       0.4330085 7.252694       0.6027502 7.461281       0.6224582 -0.3814335     1.600669  
1 1 1 6   35 7  o 85.48868 1.031205  73.47203       1.760599  76.68578       2.575569  70.65308       2.412182  3.485809       2.062409  
1 1 1 6   35 8  o 12.45161 1.274663  1.567328       0.3162417 1.390968       0.4398559 1.756037       0.4549947 -1.461130      2.549327  
1 1 1 6   35 9  o 45.77238 0.7625055 21.02225       0.6976519 22.02736       0.9995655 20.06753       0.9741816 2.136082       1.525011  
1 1 1 6   35 10 f 41.21567 0.7609786 16.90641       0.6244383 15.44691       0.8365104 18.74322       0.9384295 -3.979927      1.521957  
1 1 1 6   35 11 o 26.46906 1.435010  0.000000       0.000000  ?              ?         7.056242       0.7596671 ?              ?         
1 1 1 6   35 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   35 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   36 0  o 61.64921 1.632533  0.000000       0.000000  ?              ?         38.36617       2.012888  ?              ?         
1 1 1 6   36 1  f 73.57529 2.668204  0.000000       0.000000  ?              ?         55.51046       3.926277  ?              ?         
1 1 1 6   36 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   36 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 6   36 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   0  0  o 404.6922 5.972389  1629.905       47.98705  1753.370       72.96431  1535.794       63.70253  -0.000000      0.000000  
1 1 1 7   0  1  o 181.9974 2.708066  331.7760       9.847030  330.7950       13.84946  332.7790       14.00342  -0.000000      0.000000  
1 1 1 7   0  2  o 58.37323 0.9801371 34.13219       1.142795  34.00655       1.607645  34.26053       1.624803  -0.000000      0.000000  
1 1 1 7   0  3  o 402.6022 5.927911  1614.402       47.41381  1723.980       71.78711  1529.613       63.14724  -0.000000      0.000000  
1 1 1 7   0  4  o 151.7593 2.266865  230.6536       6.873338  231.5567       9.763073  229.7661       9.678218  -0.000000      0.000000  
1 1 1 7   0  5  f 158.1789 2.363216  250.5234       7.467317  253.5564       10.68895  247.6320       10.43635  -0.000000      0.000000  
1 1 1 7   0  6  o 471.3015 6.928662  2208.104       64.76292  2378.059       99.05221  2081.200       85.59222  -0.000000      0.000000  
1 1 1 7   0  7  o 226.4166 3.345470  513.4492       15.13424  515.6380       21.49986  511.2993       21.30754  -0.000000      0.000000  
1 1 1 7   0  8  o 737.3967 10.83682  5446.059       159.2766  5665.497       235.2523  5260.338       216.4260  -0.000000      0.000000  
1 1 1 7   0  9  o 584.4996 8.600361  3427.519       100.4411  3422.876       141.9256  3432.177       142.1650  -0.000000      0.000000  
1 1 1 7   0  10 o 530.3156 7.797318  2801.365       82.14034  2653.371       109.3359  2993.117       124.4551  -0.000000      0.000000  
1 1 1 7   0  11 o 135.9361 2.046802  184.8622       5.554169  180.6512       7.664168  189.5198       8.060360  -0.000000      0.000000  
1 1 1 7   0  12 o 639.4043 13.28790  4104.023       169.7633  4104.023       169.7633  4104.023       169.7633  -0.000000      0.000000  
1 1 1 7   0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   0  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   0  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   0  16 o 571.5486 11.89123  3280.848       135.7972  3280.848       135.7972  3280.848       135.7972  -0.000000      0.000000  
1 1 1 7   0  17 o 370.7333 5.461494  1373.847       40.33865  1324.201       54.62972  1433.369       59.81753  -0.000000      0.000000  
1 1 1 7   0  18 o 205.3977 3.047694  421.9413       12.48937  410.0605       17.11948  435.4594       18.26100  -0.000000      0.000000  
1 1 1 7   0  19 o 41.87360 0.8422655 17.50698       0.7024427 18.59787       1.038092  16.58561       0.9540311 -0.000000      0.000000  
1 1 1 7   0  20 o 67.78784 1.124021  45.50344       1.509416  50.04935       2.323189  42.18265       1.985615  -0.000000      0.000000  
1 1 1 7   0  21 o 479.8550 7.072618  2315.544       67.80940  2324.286       96.28455  2306.942       95.51405  -0.000000      0.000000  
1 1 1 7   0  22 o 167.5095 2.502745  281.1403       8.376112  279.9314       11.79414  282.3704       11.89776  -0.000000      0.000000  
1 1 1 7   0  23 o 44.42483 1.240008  19.82716       1.097821  20.35152       1.563854  19.31769       1.541495  -0.000000      0.000000  
1 1 1 7   0  24 o 18.03393 0.9122659 3.249413       0.3229029 3.831907       0.4932443 2.812550       0.4271590 -0.000000      0.000000  
1 1 1 7   0  25 o 248.1895 3.673865  616.9889       18.19859  633.4310       26.48579  602.2837       25.04776  -0.000000      0.000000  
1 1 1 7   0  26 o 84.33614 1.350514  68.80036       2.215975  82.00198       3.674681  61.25594       2.777915  -0.000000      0.000000  
1 1 1 7   0  27 o 114.0660 1.751977  130.2697       3.990839  127.8239       5.544319  132.8995       5.749045  -0.000000      0.000000  
1 1 1 7   0  28 o 149.0657 2.244974  222.2808       6.676444  215.7787       9.149663  229.6855       9.764095  -0.000000      0.000000  
1 1 1 7   0  29 o 9.340583 1.924286  1.033296       0.3233508 1.556222       0.5082570 0.6777310      0.4191045 -0.000000      0.000000  
1 1 1 7   0  30 o 14.32117 1.453755  2.167185       0.3545615 3.184700       0.5363200 1.377217       0.4725614 -0.000000      0.000000  
1 1 1 7   0  31 o 32.00602 0.8689473 10.29915       0.5539607 10.01263       0.7925104 10.57290       0.7746331 -0.000000      0.000000  
1 1 1 7   0  32 o 24.28698 0.9267426 5.956417       0.4449858 5.900056       0.6625670 6.002728       0.6005970 -0.000000      0.000000  
1 1 1 7   0  33 o 54.84476 1.016035  29.31035       1.093168  34.71105       1.759076  25.91236       1.395311  -0.000000      0.000000  
1 1 1 7   0  34 f 38.23283 0.8869268 14.57290       0.6732132 15.59803       1.015225  13.76834       0.8993976 -0.000000      0.000000  
1 1 1 7   0  35 o 125.7530 1.924650  158.5224       4.832761  161.5632       6.977801  155.7191       6.699787  -0.000000      0.000000  
1 1 1 7   0  36 o 45.51602 0.9381209 20.78359       0.8521024 20.57009       1.217122  20.98883       1.193339  -0.000000      0.000000  
1 1 1 7   0  37 o 66.26630 1.145761  44.01210       1.515825  44.48540       2.181010  43.56987       2.108241  -0.000000      0.000000  
1 1 1 7   0  38 o 12.02245 1.660413  1.599372       0.3537213 1.536417       0.5241134 1.652033       0.4793529 -0.000000      0.000000  
1 1 1 7   0  39 o 41.97232 0.9282847 17.65198       0.7764097 16.35817       1.076881  19.05256       1.120432  -0.000000      0.000000  
1 1 1 7   0  40 o 50.42113 1.000492  25.50654       1.006682  25.38064       1.444169  25.62554       1.404006  -0.000000      0.000000  
1 1 1 7   0  41 o 77.06773 1.288128  59.56013       1.982577  58.25603       2.770266  60.92932       2.838555  -0.000000      0.000000  
1 1 1 7   0  42 o 20.55757 1.128528  4.265859       0.4517286 4.541189       0.7106719 4.079200       0.5851490 -0.000000      0.000000  
1 1 1 7   0  43 o 30.32082 1.262458  9.213082       0.7227883 9.013053       0.8896332 9.601524       1.239728  -0.000000      0.000000  
1 1 1 7   0  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   0  45 f 16.24147 2.329516  2.741569       0.7326274 2.741569       0.7326274 2.741569       0.7326274 -0.000000      0.000000  
1 1 1 7   0  46 o 45.61282 1.012906  20.93804       0.9198950 20.20744       1.332135  21.60398       1.271816  -0.000000      0.000000  
1 1 1 7   0  47 o 24.05880 1.166611  6.011796       0.5424565 5.055201       0.8137430 6.776875       0.7277401 -0.000000      0.000000  
1 1 1 7   0  48 o 27.06344 1.110041  7.529829       0.5855999 6.643773       0.8814075 8.230028       0.7835323 -0.000000      0.000000  
1 1 1 7   0  49 o 25.20104 1.112820  6.425507       0.5512902 6.548039       0.8413181 6.333305       0.7298038 -0.000000      0.000000  
1 1 1 7   0  50 o 8.498989 2.521419  0.9211281      0.4593136 1.577842       0.7431285 0.5151567      0.5842834 -0.000000      0.000000  
1 1 1 7   0  51 o 77.60100 1.345951  60.54298       2.083752  61.47949       3.029924  59.70256       2.870291  -0.000000      0.000000  
1 1 1 7   0  52 o 13.51419 2.128784  2.032824       0.4937341 2.407797       0.7949383 1.797328       0.6299770 -0.000000      0.000000  
1 1 1 7   0  53 o 104.9009 1.695427  111.0400       3.552667  109.3603       4.995063  112.7595       5.053913  -0.000000      0.000000  
1 1 1 7   0  54 o 5.605556 2.378572  0.2014686E-01  0.4878818 0.8565337      0.8180133 -0.4416396     0.6078233 -0.000000      0.000000  
1 1 1 7   0  55 o 9.763600 2.683221  1.242776       0.5056629 1.816388       0.8197585 0.8904665      0.6424496 -0.000000      0.000000  
1 1 1 7   0  56 f 7.093112 2.692194  0.7152168      0.5075931 0.9137650      0.8188297 0.5913016      0.6468788 -0.000000      0.000000  
1 1 1 7   0  57 o 3.759315 1.902407  -0.9859768     0.5224122 -0.3746268     0.8654912 -1.336376      0.6552382 -0.000000      0.000000  
1 1 1 7   0  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   1  0  o 35.55970 0.4978228 12.46182       0.3512311 11.20709       0.4625689 14.17016       0.5397456 -4.166191      0.9956456 
1 1 1 7   1  1  o 235.8730 2.457791  554.4124       11.55376  582.5283       17.22411  531.4123       15.57851  10.82204       4.915582  
1 1 1 7   1  2  o 162.6090 1.709713  264.4849       5.560291  264.0856       7.858127  264.8852       7.868759  -0.2458344     3.419425  
1 1 1 7   1  3  o 519.8776 5.404490  2673.331       55.55633  2487.715       72.35588  2939.938       86.71668  -43.27213      10.80898  
1 1 1 7   1  4  o 278.8837 2.901004  778.1361       16.17935  771.8231       22.69510  784.6605       23.07166  -2.298798      5.802008  
1 1 1 7   1  5  o 358.2756 3.718489  1279.586       26.55373  1226.544       35.82434  1344.260       39.55794  -16.39740      7.436977  
1 1 1 7   1  6  o 61.21149 0.7155562 37.46847       0.8759927 37.69142       1.242747  37.24830       1.234971  0.3619499      1.431112  
1 1 1 7   1  7  o 291.2941 3.034806  846.7148       17.63798  879.4058       26.03748  818.9922       23.97741  10.35834       6.069613  
1 1 1 7   1  8  o 513.2164 5.334598  2633.701       54.68469  2714.047       79.81453  2562.615       75.07459  14.70697       10.66920  
1 1 1 7   1  9  o 508.3358 6.536706  2536.630       60.73210  2720.907       113.2855  2462.308       71.94416  24.93390       13.07341  
1 1 1 7   1  10 o 401.7886 5.901691  1614.971       47.35910  1662.097       69.17310  1573.390       64.97555  10.99069       11.80338  
1 1 1 7   1  11 o 534.3330 7.880292  2851.418       83.90102  2716.618       112.9365  3017.449       125.3382  -27.95660      15.76058  
1 1 1 7   1  12 o 135.6059 2.041378  181.1142       5.466633  167.3911       7.088319  201.2565       8.587609  -12.48047      4.082757  
1 1 1 7   1  13 f 342.2360 4.326565  1181.155       28.29890  1202.365       35.33913  1143.243       47.24694  8.749634       8.653131  
1 1 1 7   1  14 o 390.2815 5.732423  1526.221       44.73373  1545.973       64.13696  1507.509       62.42393  4.903534       11.46485  
1 1 1 7   1  15 o 268.5543 3.473364  703.3078       16.93215  679.0724       19.93677  766.0302       32.07313  -16.07608      6.946729  
1 1 1 7   1  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   1  17 o 201.0960 2.977770  404.1662       11.96130  393.7356       16.43094  415.9259       17.44636  -5.506638      5.955541  
1 1 1 7   1  18 o 455.2955 6.705636  2042.724       60.00466  2300.452       96.08921  1877.974       76.82559  45.86356       13.41127  
1 1 1 7   1  19 o 176.3216 2.232456  315.6935       7.694119  286.8974       11.91630  336.2821       10.07600  -14.02347      4.464912  
1 1 1 7   1  20 o 100.0721 1.100228  99.66231       2.194423  106.0155       3.273297  94.47600       2.957450  5.763733       2.200455  
1 1 1 7   1  21 o 196.9398 2.067050  387.4608       8.129950  376.1886       11.14386  400.2868       11.88706  -6.108643      4.134099  
1 1 1 7   1  22 o 334.4954 3.480104  1120.872       23.26718  1143.373       33.61872  1100.185       32.23444  6.420563       6.960208  
1 1 1 7   1  23 o 25.64326 0.5544891 6.573456       0.2842225 6.655763       0.4098109 6.497172       0.3945272 0.3091564      1.108978  
1 1 1 7   1  24 o 104.0721 1.135946  107.1940       2.344598  100.0649       3.084807  116.9455       3.607806  -8.105408      2.271891  
1 1 1 7   1  25 o 220.2959 2.304986  485.7619       10.15295  479.8286       14.16673  492.0276       14.55814  -2.761261      4.609973  
1 1 1 7   1  26 o 68.51916 0.8105003 46.92212       1.110158  45.89421       1.540994  48.03126       1.600711  -1.559021      1.621001  
1 1 1 7   1  27 o 261.9843 2.734210  687.7361       14.32570  683.9066       20.13994  691.6580       20.38140  -1.472931      5.468421  
1 1 1 7   1  28 o 179.7167 1.893841  323.3238       6.806901  324.6058       9.670291  322.0647       9.583123  0.7052002      3.787682  
1 1 1 7   1  29 o 41.32230 0.6314163 17.07656       0.5217593 17.47418       0.7409885 16.68553       0.7348084 0.9542236      1.262833  
1 1 1 7   1  30 o 118.4435 1.282642  139.7038       3.026733  133.1696       4.071327  147.7772       4.525500  -6.158478      2.565283  
1 1 1 7   1  31 o 52.76334 0.6972629 27.51206       0.7306018 30.69690       1.117387  25.13369       0.9656054 5.270161       1.394526  
1 1 1 7   1  32 o 26.38989 0.6403018 6.951410       0.3374711 6.459006       0.4665726 7.491647       0.4887090 -1.956244      1.280604  
1 1 1 7   1  33 o 60.29179 0.7554503 36.17841       0.9079480 38.61529       1.352795  34.18088       1.224791  3.675262       1.510901  
1 1 1 7   1  34 o 64.27371 0.7867398 41.33020       1.011330  41.20375       1.427793  41.45753       1.432692  -0.1973190     1.573480  
1 1 1 7   1  35 o 84.44657 0.9627895 70.94636       1.619048  67.05712       2.170625  75.82362       2.430752  -5.182419      1.925579  
1 1 1 7   1  36 o 89.33391 1.009569  79.78986       1.802115  82.06315       2.617406  77.74092       2.484905  2.414375       2.019139  
1 1 1 7   1  37 o 40.18153 0.6446645 16.04010       0.5161831 17.59568       0.7705376 14.77369       0.6952417 3.509422       1.289329  
1 1 1 7   1  38 o 99.62080 1.109681  99.02654       2.204421  104.1533       3.272791  94.76907       2.982443  4.694817       2.219362  
1 1 1 7   1  39 o 75.91928 0.8950416 57.56054       1.356590  55.40649       1.852425  60.05193       1.992208  -3.052902      1.790083  
1 1 1 7   1  40 o 32.18853 0.6447568 10.36796       0.4148107 10.86601       0.5900698 9.881344       0.5832515 1.529291       1.289514  
1 1 1 7   1  41 o 22.90436 0.7164899 5.240532       0.3274150 5.781097       0.4738415 4.746614       0.4529351 2.257280       1.432980  
1 1 1 7   1  42 o 47.24790 0.9931269 22.12406       0.9319170 24.41492       1.424398  20.40958       1.232245  4.225243       1.986254  
1 1 1 7   1  43 o 61.35682 1.588164  0.000000       0.000000  ?              ?         37.75558       1.948895  ?              ?         
1 1 1 7   1  44 o 35.31363 0.6855542 12.30500       0.4806389 14.39843       0.7307404 10.70876       0.6380928 5.218414       1.371108  
1 1 1 7   1  45 f 61.61501 0.8723667 38.22916       1.068337  40.02676       1.454049  36.12035       1.574890  3.180904       1.744733  
1 1 1 7   1  46 o 68.83727 1.211701  47.51113       1.664629  46.28862       2.269265  48.93532       2.449313  -1.898376      2.423403  
1 1 1 7   1  47 f 27.55711 0.8588566 7.315558       0.4526848 8.620558       0.7865091 6.669093       0.5535681 3.516314       1.717713  
1 1 1 7   1  48 o 25.66364 0.7646902 6.600040       0.3924559 6.732068       0.5580618 6.470856       0.5520204 0.5082951      1.529380  
1 1 1 7   1  49 o 17.82630 0.9836887 3.181814       0.3499294 3.497189       0.5079181 2.896876       0.4827875 1.680313       1.967377  
1 1 1 7   1  50 f 10.79381 1.473250  1.197923       0.3112394 1.033255       0.4341368 1.372056       0.4464390 -1.750339      2.946501  
1 1 1 7   1  51 o 25.51065 0.8173762 6.525011       0.4167201 6.891146       0.5965909 6.176169       0.5823303 1.399355       1.634752  
1 1 1 7   1  52 f 51.38083 0.7685893 26.47045       0.7897056 25.99810       1.105982  26.96175       1.127967  -0.9347649     1.537179  
1 1 1 7   1  53 o 22.68383 0.9164397 5.181146       0.4127079 5.987888       0.5901859 4.409140       0.5773402 3.477692       1.832879  
1 1 1 7   1  54 o 29.45084 0.8226097 8.707620       0.4844716 8.757222       0.6810129 8.656796       0.6893560 0.1718807      1.645219  
1 1 1 7   1  55 f 14.31693 1.318804  2.084750       0.3699633 2.629819       0.5334941 1.579785       0.5134933 3.661359       2.637608  
1 1 1 7   1  56 o 33.33442 0.8147753 11.10513       0.5417080 10.08851       0.7390279 12.28562       0.7963628 -3.284758      1.629551  
1 1 1 7   1  57 o 20.52912 1.037933  4.247684       0.4255515 3.959069       0.5977327 4.544331       0.6059937 -1.423290      2.075866  
1 1 1 7   1  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   2  0  o 311.6926 3.241709  971.5394       20.19302  949.9117       27.91030  995.2957       29.25136  -7.265961      6.483417  
1 1 1 7   2  1  o 159.2055 1.675045  253.5236       5.333444  254.0723       7.567234  252.9820       7.518261  0.3421783      3.350090  
1 1 1 7   2  2  o 499.3976 5.211506  2499.536       52.05212  2495.831       73.50276  2503.262       73.72334  -0.7406921     10.42301  
1 1 1 7   2  3  o 260.8613 2.718635  680.8113       14.18271  684.6816       20.20056  677.0488       19.91722  1.460999       5.437271  
1 1 1 7   2  4  f 546.2468 5.686419  2952.047       61.46354  2745.934       80.22399  3244.979       95.63886  -45.47461      11.37284  
1 1 1 7   2  5  o 138.1725 1.463734  190.9372       4.044898  190.3597       5.702170  191.5221       5.738704  -0.4205322     2.927468  
1 1 1 7   2  6  o 394.0519 4.934459  1576.051       37.74203  1461.058       59.98166  1651.419       48.56014  -24.25992      9.868918  
1 1 1 7   2  7  o 524.8349 7.787208  2748.582       81.41897  2922.150       121.8559  2608.604       109.4312  29.69424       15.57442  
1 1 1 7   2  8  f 112.6893 1.714768  126.9516       3.863510  129.1812       5.548895  124.8536       5.382557  1.919594       3.429535  
1 1 1 7   2  9  o 188.9689 2.802382  356.5578       10.57456  368.9106       15.48579  345.7653       14.47473  6.118652       5.604765  
1 1 1 7   2  10 o 547.0084 7.060941  2913.104       69.75659  2803.982       81.80849  3203.793       133.5230  -35.84009      14.12188  
1 1 1 7   2  11 f 222.9373 2.328553  494.4240       10.33336  470.8340       13.83307  524.2069       15.54311  -11.96243      4.657105  
1 1 1 7   2  12 o 132.9090 1.413451  176.2255       3.749495  183.2821       5.519078  170.1768       5.109724  4.928970       2.826902  
1 1 1 7   2  13 f 242.9204 3.581121  587.7808       17.32728  561.5669       23.27938  620.3438       25.94586  -12.07628      7.162242  
1 1 1 7   2  14 o 232.2043 2.423659  539.4061       11.25553  541.0314       15.96727  537.8007       15.86863  0.6950531      4.847318  
1 1 1 7   2  15 o 303.1256 3.151401  919.5428       19.10482  923.7504       27.14646  915.4136       26.89192  1.372894       6.302802  
1 1 1 7   2  16 f 415.2849 4.317678  1726.660       35.84602  1700.581       49.83259  1754.623       51.60151  -6.482361      8.635357  
1 1 1 7   2  17 o 40.87498 0.8622359 15.91322       0.6859724 13.37347       0.8579097 20.41536       1.142236  -8.613037      1.724472  
1 1 1 7   2  18 o 88.89474 1.221336  76.77470       1.981460  73.71564       2.339245  84.54397       3.727970  -6.083420      2.442672  
1 1 1 7   2  19 o 437.8455 6.447825  1927.944       56.45914  1915.779       79.29214  1940.454       80.41016  -2.782593      12.89565  
1 1 1 7   2  20 o 412.0569 6.070804  1707.543       50.02681  1718.384       71.25423  1697.004       70.25356  2.560760       12.14161  
1 1 1 7   2  21 o 147.0104 2.203879  214.8527       6.443127  203.5171       8.582232  229.4941       9.753677  -8.818558      4.407757  
1 1 1 7   2  22 f 61.48069 0.9124634 36.09441       1.010647  41.74872       1.964027  34.05797       1.178676  6.249283       1.824927  
1 1 1 7   2  23 o 81.64678 0.9224529 65.98679       1.494593  61.50895       1.970719  72.04926       2.293059  -6.452423      1.844906  
1 1 1 7   2  24 f 242.3095 2.530389  587.9583       12.26261  586.5201       17.29261  589.4131       17.39171  -0.5950012     5.060778  
1 1 1 7   2  25 o 87.76532 0.9832523 75.81000       1.705174  69.59740       2.213816  84.87199       2.673726  -8.698112      1.966505  
1 1 1 7   2  26 o 126.2754 1.354960  159.4819       3.421116  157.4755       4.774817  161.5984       4.904154  -1.630875      2.709920  
1 1 1 7   2  27 o 251.3318 2.626735  632.3561       13.19415  646.5778       19.09853  619.3712       18.24912  5.390335       5.253470  
1 1 1 7   2  28 o 104.9997 1.150640  110.2039       2.414558  108.0807       3.339284  112.5304       3.495470  -2.116943      2.301280  
1 1 1 7   2  29 o 102.3808 1.125141  104.6445       2.300075  101.2768       3.146041  108.5115       3.371215  -3.530228      2.250281  
1 1 1 7   2  30 o 73.62460 0.8619501 53.84031       1.263074  50.55873       1.688181  58.01316       1.903684  -5.059845      1.723900  
1 1 1 7   2  31 f 23.17351 0.6686800 5.341503       0.3080855 4.578168       0.4203423 6.227552       0.4528711 -3.558420      1.337360  
1 1 1 7   2  32 f 137.8212 1.475868  189.6773       4.059433  197.3924       5.980065  183.0838       5.528318  5.178253       2.951735  
1 1 1 7   2  33 o 120.1732 1.303685  144.4402       3.130927  147.8377       4.536300  141.3493       4.326728  2.693306       2.607371  
1 1 1 7   2  34 o 91.49632 1.028720  83.21198       1.872630  89.20413       2.828463  78.53564       2.498688  5.820656       2.057441  
1 1 1 7   2  35 o 71.28627 0.8469520 50.85117       1.207520  50.79200       1.706528  50.91050       1.708857  -0.8305359E-01 1.693904  
1 1 1 7   2  36 o 72.10309 0.8565426 51.43407       1.225427  56.67306       1.882464  47.58136       1.614309  6.296295       1.713085  
1 1 1 7   2  37 o 25.15886 0.6501024 6.324982       0.3266926 6.797158       0.4704733 5.885305       0.4539934 1.811716       1.300205  
1 1 1 7   2  38 o 67.14239 0.8194125 45.07024       1.099450  46.34681       1.594439  43.91301       1.518084  1.809448       1.638825  
1 1 1 7   2  39 o 58.98270 0.7588424 34.50975       0.8903633 31.94382       1.186329  37.81929       1.347304  -4.974213      1.517685  
1 1 1 7   2  40 o 20.62243 1.046176  4.517201       0.4043501 3.349765       0.6433752 5.279381       0.5198480 -4.685415      2.092352  
1 1 1 7   2  41 o 81.00430 1.342495  65.74722       2.172030  67.58437       3.170769  64.12296       2.981399  2.119446       2.684990  
1 1 1 7   2  42 f 53.52313 0.7379262 28.67425       0.7898551 29.18926       1.124075  28.17195       1.110103  0.9496231      1.475852  
1 1 1 7   2  43 o 48.18221 0.7124097 23.04314       0.6833406 25.42377       1.028120  21.15925       0.9145910 4.418766       1.424819  
1 1 1 7   2  44 o 98.29312 1.577852  96.93667       3.093135  101.0738       4.582963  93.47550       4.191861  3.808746       3.155704  
1 1 1 7   2  45 o 51.60409 0.7385270 26.60504       0.7611983 25.33974       1.044260  28.03962       1.111916  -2.610760      1.477054  
1 1 1 7   2  46 o 29.71074 0.7059256 8.812000       0.4185643 9.664009       0.6101932 8.054828       0.5752313 2.705336       1.411851  
1 1 1 7   2  47 o 44.45152 0.8808202 19.83396       0.7344947 19.87414       0.8956735 19.75148       1.283418  0.1793633      1.761640  
1 1 1 7   2  48 o 33.48869 1.027353  11.32859       0.6838588 12.34050       0.9475284 10.22842       0.9879845 3.158991       2.054707  
1 1 1 7   2  49 o 49.91024 0.7525814 24.90070       0.7500974 26.18327       1.098294  23.77946       1.026897  2.400517       1.505163  
1 1 1 7   2  50 o 36.85765 0.7264685 13.47960       0.5324527 11.72806       0.7163080 15.64246       0.7959818 -5.301579      1.452937  
1 1 1 7   2  51 o 13.45432 1.206560  1.824392       0.3241290 1.952462       0.4597385 1.697816       0.4570484 0.9457836      2.413121  
1 1 1 7   2  52 f 33.85057 0.7608262 11.46722       0.5145167 10.81548       0.7098796 12.18850       0.7467964 -2.023109      1.521652  
1 1 1 7   2  53 f 24.79030 0.8275703 6.165344       0.4099099 6.554219       0.5864654 5.793909       0.5731637 1.531391       1.655141  
1 1 1 7   2  54 o 9.378976 1.799584  0.9164078      0.3553893 1.212623       0.5074402 0.6312390      0.4978887 2.670433       3.599168  
1 1 1 7   2  55 o 66.06084 0.8840166 43.74660       1.166323  41.87579       1.598222  45.87798       1.705897  -3.008087      1.768033  
1 1 1 7   2  56 o 8.379033 1.847433  0.6952712      0.3578773 0.3994099      0.5109816 0.9801236      0.5013847 -2.494471      3.694866  
1 1 1 7   2  57 o 9.658340 2.297085  0.7928107      0.5264151 1.391767       0.8655918 0.4412626      0.6631439 3.651514       4.594169  
1 1 1 7   2  58 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   3  0  o 173.6954 1.828900  301.6847       6.351434  298.0243       8.851825  305.5691       9.118688  -2.170395      3.657799  
1 1 1 7   3  1  f 499.9683 5.207502  2503.545       52.03973  2543.725       75.15170  2466.530       72.13174  7.676514       10.41500  
1 1 1 7   3  2  o 185.4980 1.943455  343.6234       7.200337  334.0073       9.878531  354.5228       10.51707  -5.526688      3.886910  
1 1 1 7   3  3  o 408.1006 5.211999  1663.660       40.00728  1682.374       69.81904  1654.512       48.81641  3.164948       10.42400  
1 1 1 7   3  4  o 162.4078 2.424783  263.3109       7.863020  254.9832       10.75397  272.8774       11.52612  -5.505157      4.849566  
1 1 1 7   3  5  o 450.5077 6.613164  2027.451       59.40816  1950.207       80.39808  2120.352       88.17048  -18.78519      13.22633  
1 1 1 7   3  6  o 364.7877 5.361319  1332.364       39.10727  1317.368       54.66212  1348.088       55.97324  -4.197754      10.72264  
1 1 1 7   3  7  o 429.3359 5.549642  1785.817       42.77548  1714.095       49.94038  1983.366       82.88284  -31.02917      11.09928  
1 1 1 7   3  8  o 279.6596 2.910104  778.2108       16.19940  824.1473       24.36788  741.8328       21.68492  14.70221       5.820208  
1 1 1 7   3  9  o 218.6939 2.282803  478.0244       9.977660  488.0829       14.43764  468.8286       13.80472  4.399292       4.565606  
1 1 1 7   3  10 o 423.7729 4.414938  1796.826       37.40503  1832.272       53.79004  1763.636       52.05026  8.082947       8.829877  
1 1 1 7   3  11 o 236.2877 2.465908  558.5128       11.65327  558.6957       16.48769  558.3302       16.47275  0.7725525E-01  4.931817  
1 1 1 7   3  12 o 272.2909 3.275348  741.6255       17.83061  731.9313       24.82674  751.9530       25.62478  -3.670929      6.550695  
1 1 1 7   3  13 o 97.28455 1.075459  92.83811       2.061893  84.76723       2.656077  105.0780       3.270914  -10.43729      2.150918  
1 1 1 7   3  14 o 338.8157 3.517988  1149.022       23.83896  1147.803       33.68110  1150.245       33.74576  -0.3597717     7.035976  
1 1 1 7   3  15 o 104.2132 1.132874  108.6068       2.361067  109.3729       3.361456  107.8608       3.317091  0.7253113      2.265748  
1 1 1 7   3  16 o 157.3320 1.670689  245.9776       5.225877  261.8972       7.920008  233.7019       6.954735  8.955063       3.341378  
1 1 1 7   3  17 o 201.6730 2.111210  406.3686       8.505835  396.0844       11.70011  417.8967       12.38743  -5.402237      4.222420  
1 1 1 7   3  18 o 335.4216 3.486401  1126.803       23.38828  1127.726       33.09735  1125.883       33.05473  0.2740173      6.972803  
1 1 1 7   3  19 o 69.98582 0.8122414 48.77743       1.133534  46.44104       1.532919  51.59639       1.683802  -3.682510      1.624483  
1 1 1 7   3  20 o 141.0356 1.501676  198.9810       4.235770  199.7201       6.002741  198.2481       5.977901  0.5216370      3.003352  
1 1 1 7   3  21 o 139.6631 1.831051  192.7460       4.734489  188.8785       5.675985  201.5907       8.583605  -4.515762      3.662103  
1 1 1 7   3  22 o 115.4372 1.756749  133.0707       4.049118  137.9403       5.936275  128.8338       5.537169  3.938866       3.513499  
1 1 1 7   3  23 o 48.41240 0.9046809 23.06954       0.8677960 26.23207       1.344051  20.80867       1.136413  5.599754       1.809362  
1 1 1 7   3  24 o 178.5979 2.309048  317.8828       7.721460  323.5143       13.61710  315.2139       9.374240  2.247986       4.618096  
1 1 1 7   3  25 o 78.62377 0.8999627 61.82723       1.415143  61.48414       1.994004  62.17540       2.008707  -0.4394836     1.799925  
1 1 1 7   3  26 f 245.1940 2.561642  601.9698       12.55729  593.1099       17.47496  611.4295       18.05668  -3.721909      5.123283  
1 1 1 7   3  27 o 144.0733 1.534093  207.7074       4.420357  207.0009       6.228861  208.4241       6.274042  -0.4932251     3.068187  
1 1 1 7   3  28 o 104.0761 1.141128  107.9044       2.367409  103.0837       3.195050  113.7733       3.525304  -5.131302      2.282255  
1 1 1 7   3  29 o 62.27841 0.7707113 38.62002       0.9571375 36.64109       1.294289  41.00834       1.421884  -3.505013      1.541423  
1 1 1 7   3  30 o 130.8639 1.404959  171.3715       3.676774  172.8601       5.246164  169.9345       5.154534  1.115906       2.809918  
1 1 1 7   3  31 o 82.10994 0.9399778 67.28780       1.540888  70.03168       2.262260  64.91312       2.104564  3.114464       1.879956  
1 1 1 7   3  32 o 88.97709 1.002257  79.14938       1.782449  77.46938       2.468663  80.97909       2.576307  -1.970078      2.004513  
1 1 1 7   3  33 o 126.4496 1.363725  159.5414       3.439202  167.1687       5.098072  153.1713       4.659056  5.520668       2.727449  
1 1 1 7   3  34 o 58.62531 0.7454950 34.38503       0.8740819 34.34622       1.239462  34.42341       1.232841  -0.6597900E-01 1.490990  
1 1 1 7   3  35 o 34.22399 0.6221533 11.69417       0.4254277 11.08127       0.5873391 12.37067       0.6170512 -1.883148      1.244307  
1 1 1 7   3  36 o 124.9880 1.352435  156.5186       3.380616  157.3488       4.807973  155.7068       4.754305  0.6541061      2.704871  
1 1 1 7   3  37 o 160.0971 1.705360  256.7169       5.450806  265.9131       7.998554  248.7430       7.448061  5.320343       3.410721  
1 1 1 7   3  38 o 120.9171 1.630277  144.6176       3.637516  152.2382       6.642060  141.3529       4.347413  4.322647       3.260554  
1 1 1 7   3  39 o 38.14246 0.9293412 14.56788       0.7078380 13.50482       0.9920591 15.67031       1.010257  -2.837780      1.858682  
1 1 1 7   3  40 o 52.47958 0.7725141 27.58360       0.8032728 27.68410       1.066774  27.45200       1.220725  0.2280006      1.545028  
1 1 1 7   3  41 f 6.578703 1.576224  0.4004451      0.2473796 0.3616470      0.3426017 0.4427083      0.3575737 -0.4656711     3.152448  
1 1 1 7   3  42 o 32.67239 0.6675770 10.68224       0.4360879 10.76963       0.6257179 10.59970       0.6081021 0.2591972      1.335154  
1 1 1 7   3  43 f 30.51230 0.6784344 9.320327       0.4137729 9.327340       0.5755827 9.312827       0.5952386 0.2489090E-01  1.356869  
1 1 1 7   3  44 f 16.16770 0.9463458 2.632545       0.2957451 3.581866       0.4337801 1.807992       0.4042709 5.483326       1.892692  
1 1 1 7   3  45 o 46.09297 0.7100830 21.27627       0.6545600 20.96044       0.9224325 21.59659       0.9289776 -0.6895790     1.420166  
1 1 1 7   3  46 o 47.68475 0.7219819 22.76372       0.6883211 22.30290       0.9584057 23.25461       0.9891900 -0.9953957     1.443964  
1 1 1 7   3  47 o 46.76918 0.7205217 21.85411       0.6729827 20.79345       0.9220272 23.06343       0.9845266 -2.421162      1.441043  
1 1 1 7   3  48 o 12.68107 1.212126  1.617061       0.3073370 1.668658       0.4366874 1.566420       0.4326213 0.4024458      2.424251  
1 1 1 7   3  49 o 42.45049 0.9993070 17.91535       0.8410898 16.82802       1.106206  19.40532       1.294925  -3.008572      1.998614  
1 1 1 7   3  50 o 8.179502 1.874279  0.6140304      0.3686625 0.9647235      0.5310053 0.2876907      0.5122362 2.852458       3.748558  
1 1 1 7   3  51 o 31.31838 0.7412593 9.824517       0.4636585 9.120310       0.6452680 10.57623       0.6666803 -2.321646      1.482519  
1 1 1 7   3  52 o 26.30441 0.8238295 6.945984       0.4331258 7.226132       0.6120659 6.664981       0.6129999 1.066782       1.647659  
1 1 1 7   3  53 o 42.12957 0.7613685 17.74478       0.6404337 19.03131       0.9376671 16.61983       0.8768125 2.853027       1.522737  
1 1 1 7   3  54 o 37.64468 0.7552772 14.22022       0.5685436 14.33750       0.7986506 14.09972       0.8095441 0.3175240      1.510554  
1 1 1 7   3  55 o 33.17413 1.064114  10.59506       0.6287323 12.16463       1.242104  10.05437       0.7290276 3.061785       2.128229  
1 1 1 7   3  56 o 28.82437 1.044312  8.145480       0.5931481 7.092003       0.7632612 9.751766       0.9424797 -4.569580      2.088625  
1 1 1 7   3  57 o 11.54975 1.702629  1.408389       0.3806632 1.289541       0.5318190 1.533251       0.5451050 -1.046004      3.405259  
1 1 1 7   4  0  o 409.9766 5.491885  1689.675       44.40093  1651.136       68.36097  1717.796       58.39497  -8.262665      10.98377  
1 1 1 7   4  1  o 157.3448 2.346916  247.6496       7.385168  248.9471       10.50397  246.3812       10.38544  0.8147583      4.693832  
1 1 1 7   4  2  o 401.1336 5.888986  1611.328       47.21684  1643.370       68.20731  1581.844       65.42872  7.634033       11.77797  
1 1 1 7   4  3  o 560.5104 8.266079  3011.331       88.87025  2689.585       108.8282  3655.361       153.9707  -85.40613      16.53216  
1 1 1 7   4  4  o 243.2763 3.091640  595.8037       14.33307  604.4802       17.82167  579.9137       24.11792  5.085175       6.183279  
1 1 1 7   4  5  o 283.9776 2.957588  806.3566       16.78973  820.2943       24.19536  793.4121       23.31749  4.728394       5.915176  
1 1 1 7   4  6  o 512.7993 5.335738  2619.677       54.49612  2779.853       81.67436  2491.140       73.16430  28.06735       10.67148  
1 1 1 7   4  7  o 403.7078 4.200786  1630.523       33.90702  1600.475       47.22939  1662.483       48.70834  -7.668121      8.401571  
1 1 1 7   4  8  o 145.8336 1.547098  212.7023       4.512364  212.7481       6.390126  212.6567       6.372801  0.3126526E-01  3.094197  
1 1 1 7   4  9  f 316.7582 3.291263  998.9866       20.76011  1055.155       31.13898  954.0453       27.85347  15.93881       6.582526  
1 1 1 7   4  10 o 502.5135 7.385099  2512.488       73.68153  2696.996       112.5739  2374.208       97.45625  31.89331       14.77020  
1 1 1 7   4  11 o 649.2961 6.762064  4224.410       87.77103  4320.308       126.4964  4135.376       121.8859  14.17529       13.52413  
1 1 1 7   4  12 o 385.0107 3.995967  1482.523       30.74594  1516.403       44.54329  1451.690       42.49187  8.385223       7.991933  
1 1 1 7   4  13 o 254.3561 2.653632  647.1141       13.49611  655.2460       19.34188  639.3981       18.84075  3.111923       5.307265  
1 1 1 7   4  14 o 441.3325 4.583013  1949.412       40.42585  1910.009       55.96047  1992.418       58.46319  -9.304230      9.166025  
1 1 1 7   4  15 o 341.0502 3.544750  1161.021       24.11880  1118.783       32.75642  1211.036       35.64456  -13.49271      7.089500  
1 1 1 7   4  16 o 130.2155 1.391968  169.4710       3.622829  172.8849       5.235726  166.3350       5.018109  2.513931       2.783936  
1 1 1 7   4  17 o 529.1775 5.499108  2809.085       58.17935  2850.970       83.62077  2769.787       80.99797  7.610840       10.99822  
1 1 1 7   4  18 o 163.0130 2.437865  263.7011       7.891303  284.0733       12.05276  248.4157       10.44013  10.91829       4.875729  
1 1 1 7   4  19 o 239.7426 2.502861  575.3090       12.00079  576.1191       17.00177  574.5045       16.94176  0.3359222      5.005723  
1 1 1 7   4  20 o 562.1517 5.888663  3177.889       66.17774  3138.652       92.02161  3219.919       95.24028  -7.111938      11.77733  
1 1 1 7   4  21 o 238.1582 2.486877  567.9056       11.84540  567.5328       16.74205  568.2793       16.76182  -0.1563568     4.973754  
1 1 1 7   4  22 o 205.3731 2.152956  421.2280       8.825122  407.5871       12.02993  437.1232       12.98605  -7.174286      4.305912  
1 1 1 7   4  23 o 94.99222 1.050429  89.88730       1.988907  94.57339       2.962509  86.04201       2.683607  4.488274       2.100858  
1 1 1 7   4  24 o 95.13013 1.280781  91.14822       2.325531  92.64532       2.898221  88.44179       3.896748  2.219582       2.561562  
1 1 1 7   4  25 o 239.9236 3.548920  577.3184       17.02567  570.8076       23.78248  584.1631       24.38468  -2.764160      7.097839  
1 1 1 7   4  26 o 275.9914 4.078275  764.9854       22.50777  757.7509       31.49644  772.5353       32.17603  -2.651978      8.156550  
1 1 1 7   4  27 o 241.0355 3.064523  588.0673       14.17532  562.7236       23.37235  602.8145       17.82870  -8.492676      6.129047  
1 1 1 7   4  28 o 194.6892 2.046672  379.5496       7.969299  379.5738       11.27132  379.5254       11.26926  0.1237488E-01  4.093343  
1 1 1 7   4  29 o 211.2849 2.218587  446.7683       9.367082  437.0971       12.93156  457.4445       13.58682  -4.796463      4.437175  
1 1 1 7   4  30 o 234.5766 2.457617  551.6218       11.52843  556.8702       16.46658  546.5760       16.14550  2.182037       4.915234  
1 1 1 7   4  31 o 121.5443 1.314868  147.7466       3.194428  150.8379       4.613409  144.8993       4.427530  2.438774       2.629737  
1 1 1 7   4  32 o 150.3441 1.600901  226.3753       4.813573  227.3621       6.839625  225.4069       6.775666  0.6480560      3.201803  
1 1 1 7   4  33 o 96.98886 1.078892  94.12941       2.092565  93.18232       2.932125  95.11250       2.987312  -0.9935837     2.157784  
1 1 1 7   4  34 o 41.75352 0.6444780 17.41311       0.5377222 18.09030       0.7804691 16.80119       0.7419037 1.542950       1.288956  
1 1 1 7   4  35 f 49.99477 0.6870929 25.00594       0.6870185 24.91593       0.9703159 25.09642       0.9728709 -0.1804504     1.374186  
1 1 1 7   4  36 o 44.02706 0.8708470 19.57599       0.7493556 18.53046       1.176051  20.29060       0.9722853 -2.006046      1.741694  
1 1 1 7   4  37 o 135.4897 2.071993  184.5873       5.614653  184.3223       7.947846  184.8512       7.932812  -0.1966095     4.143987  
1 1 1 7   4  38 o 96.68445 1.320585  94.22714       2.429112  95.42379       3.013472  92.00702       4.104610  1.837654       2.641170  
1 1 1 7   4  39 o 90.28996 1.023958  81.59640       1.848060  83.31665       2.667107  80.00771       2.563097  1.826630       2.047916  
1 1 1 7   4  40 o 13.40596 1.026238  1.828851       0.2658311 2.423421       0.3818214 1.269544       0.3703258 4.302915       2.052476  
1 1 1 7   4  41 o 15.73771 1.285979  2.560352       0.3925187 2.973851       0.5257021 2.039399       0.5900673 2.974495       2.571958  
1 1 1 7   4  42 o 24.79064 0.7054976 6.152129       0.3496757 5.939531       0.4923024 6.368596       0.4967601 -0.8651466     1.410995  
1 1 1 7   4  43 o 29.55994 0.6820714 8.726903       0.4027285 8.184700       0.5551378 9.329282       0.5851335 -1.934303      1.364143  
1 1 1 7   4  44 o 46.12260 0.7043430 21.30159       0.6496966 21.33334       0.9232506 21.27045       0.9144326 0.6756973E-01  1.408686  
1 1 1 7   4  45 o 71.29315 0.8760327 50.57609       1.243213  54.66953       1.872470  47.34909       1.662531  5.114647       1.752065  
1 1 1 7   4  46 o 14.58484 1.019438  2.133276       0.2972395 2.047494       0.4156043 2.223100       0.4252832 -0.6008768     2.038875  
1 1 1 7   4  47 o 36.26951 0.7048304 13.09202       0.5095593 14.33146       0.7587284 12.07366       0.6877413 3.106148       1.409661  
1 1 1 7   4  48 o 28.37501 0.7410576 8.040268       0.4183867 6.960355       0.5746955 9.258069       0.6102833 -4.045261      1.482115  
1 1 1 7   4  49 o 18.59880 0.9496421 3.472679       0.3492997 2.817868       0.4824811 4.193884       0.5063516 -3.695944      1.899284  
1 1 1 7   4  50 o 27.46092 0.8708584 7.775753       0.4651473 9.071436       0.6275437 6.195938       0.6929430 5.244219       1.741717  
1 1 1 7   4  51 o 65.80205 1.196655  43.58482       1.574314  45.19409       2.252166  42.04708       2.201531  2.380653       2.393309  
1 1 1 7   4  52 o 26.78594 0.8304371 7.176526       0.4441431 7.726012       0.6488926 6.692192       0.6092103 1.923903       1.660874  
1 1 1 7   4  53 o 46.77353 0.7667063 21.91553       0.7166697 22.86273       1.038417  21.05402       0.9903393 1.926243       1.533413  
1 1 1 7   4  54 o 23.37731 1.357882  5.465705       0.6211176 5.809739       0.9994373 5.249222       0.7928080 1.139223       2.715764  
1 1 1 7   4  55 o 5.862852 1.734716  -0.9445528E-02 0.3620694 0.2963249      0.4864933 -0.3891028     0.5420944 1.565390       3.469432  
1 1 1 7   4  56 o 20.20591 1.038112  4.117412       0.4178417 4.590817       0.5962397 3.660541       0.5857352 2.299379       2.076224  
1 1 1 7   4  57 o 27.73059 0.8780800 7.733990       0.4861414 7.786404       0.6692984 7.675457       0.7072891 0.2081909      1.756160  
1 1 1 7   5  0  o 555.8890 8.204025  3048.164       89.87450  2809.265       115.8580  3409.148       142.4172  -53.52075      16.40805  
1 1 1 7   5  1  o 174.2403 2.592756  303.7059       9.035201  303.0560       12.75242  304.3609       12.80314  -0.3742218     5.185512  
1 1 1 7   5  2  o 194.7989 2.889395  379.6294       11.25692  380.5203       15.96000  378.7476       15.87967  0.4545746      5.778789  
1 1 1 7   5  3  o 50.71352 0.9112405 25.33675       0.9154209 23.09140       1.197820  28.48967       1.419406  -5.321945      1.822481  
1 1 1 7   5  4  f 516.9141 5.385994  2674.282       55.64874  2629.153       77.13441  2723.268       80.36324  -9.071838      10.77199  
1 1 1 7   5  5  f 403.1120 4.188092  1617.542       33.60167  1541.583       44.95788  1713.672       50.57670  -21.30139      8.376184  
1 1 1 7   5  6  o 544.2418 6.180393  2926.366       65.37517  2800.174       82.38424  3140.961       107.4333  -31.01428      12.36079  
1 1 1 7   5  7  f 474.5108 4.936115  2254.534       46.84381  2270.790       66.50146  2238.524       65.99575  3.395050       9.872231  
1 1 1 7   5  8  o 359.8693 5.283067  1291.731       37.88755  1357.470       56.51404  1238.063       51.06200  16.53345       10.56613  
1 1 1 7   5  9  o 281.6356 2.938062  793.4788       16.54779  800.4714       23.59304  786.7081       23.21575  2.441223       5.876124  
1 1 1 7   5  10 o 162.4594 1.718158  263.9786       5.582578  262.9022       7.896784  265.0539       7.893131  -0.6622467     3.436315  
1 1 1 7   5  11 o 150.5501 1.599244  226.0703       4.805657  236.1129       7.073198  217.4600       6.549433  6.193024       3.198488  
1 1 1 7   5  12 o 37.45741 0.5547565 14.00483       0.4151713 13.45316       0.5716280 14.62074       0.6039895 -1.558491      1.109513  
1 1 1 7   5  13 o 439.3994 4.571774  1931.255       40.13757  1877.991       55.30158  1990.548       58.34695  -12.76981      9.143547  
1 1 1 7   5  14 o 230.7413 2.418805  532.1163       11.15269  519.8505       15.39181  545.6746       16.18244  -5.590073      4.837611  
1 1 1 7   5  15 o 580.5492 6.037269  3370.930       69.88053  3246.686       94.50412  3520.820       103.8008  -23.41632      12.07454  
1 1 1 7   5  16 o 99.64442 1.088318  99.01618       2.163855  103.3360       3.193849  95.35088       2.941954  4.005699       2.176636  
1 1 1 7   5  17 o 269.6084 2.810867  726.2953       15.13323  750.4286       22.15151  705.1743       20.72307  8.374359       5.621734  
1 1 1 7   5  18 f 325.7658 3.915615  1061.940       25.47668  1093.761       37.20705  1033.850       34.95705  9.150269       7.831229  
1 1 1 7   5  19 o 178.6861 1.879013  319.1906       6.710091  312.6163       9.277996  326.4005       9.716164  -3.852325      3.758025  
1 1 1 7   5  20 f 122.1307 1.315435  149.0778       3.210958  152.6105       4.644629  145.8438       4.443975  2.768509       2.630871  
1 1 1 7   5  21 o 180.1085 1.895683  323.7320       6.812404  312.1957       9.260327  337.3396       10.05734  -6.968521      3.791366  
1 1 1 7   5  22 o 256.9359 2.681472  658.6981       13.73354  632.0662       18.54126  691.0698       20.44187  -11.44122      5.362944  
1 1 1 7   5  23 o 116.0105 1.252112  134.1863       2.897573  128.8573       3.930387  140.5309       4.288577  -5.027794      2.504223  
1 1 1 7   5  24 o 122.5633 1.322948  148.9995       3.221000  160.9628       4.910778  139.9668       4.267106  8.558075       2.645895  
1 1 1 7   5  25 o 91.65440 1.023829  83.65084       1.870271  79.77200       2.521487  88.39489       2.788557  -4.701515      2.047657  
1 1 1 7   5  26 o 38.63863 0.7256801 15.23570       0.5442147 16.41483       0.7067906 13.51864       0.8529106 3.748840       1.451360  
1 1 1 7   5  27 o 162.3009 2.425235  263.8747       7.871865  262.3561       11.05921  265.4342       11.20726  -0.9443665     4.850469  
1 1 1 7   5  28 o 271.1876 4.011850  738.9278       21.74720  726.2568       30.16195  752.6471       31.38485  -4.807556      8.023700  
1 1 1 7   5  29 o 64.32209 0.9980626 41.43729       1.262602  41.12446       1.969934  41.65540       1.644881  -0.4172058     1.996125  
1 1 1 7   5  30 o 110.8113 1.208918  122.7883       2.677860  120.3857       3.715684  125.3849       3.862726  -2.252892      2.417837  
1 1 1 7   5  31 o 139.0556 1.488019  193.5704       4.138018  192.1746       5.808205  195.0091       5.896884  -1.016754      2.976038  
1 1 1 7   5  32 o 84.15236 0.9617848 70.83296       1.618308  71.90363       2.320960  69.81995       2.257619  1.236656       1.923570  
1 1 1 7   5  33 o 132.9687 1.430921  177.0466       3.804778  175.3275       5.325475  178.8389       5.437820  -1.316132      2.861842  
1 1 1 7   5  34 o 57.14139 1.056715  32.65965       1.207147  31.47080       1.682367  33.92125       1.733089  -2.142475      2.113431  
1 1 1 7   5  35 o 58.38983 1.070322  33.71860       1.239376  37.26817       1.909493  31.13470       1.629177  5.241657       2.140644  
1 1 1 7   5  36 o 68.21837 1.015095  46.42415       1.299119  46.10379       1.580658  47.09104       2.280541  -0.6933670     2.030189  
1 1 1 7   5  37 o 24.22661 0.6646241 5.864435       0.3211906 6.480264       0.4633909 5.294996       0.4455957 2.445663       1.329248  
1 1 1 7   5  38 o 42.72084 0.6667734 18.02738       0.5658268 20.42561       0.8631936 16.22051       0.7492492 4.917683       1.333547  
1 1 1 7   5  39 o 55.29661 0.7361329 30.57084       0.8136215 29.69090       1.126933  31.52891       1.175897  -1.659977      1.472266  
1 1 1 7   5  40 o 49.07811 0.6997446 24.01503       0.6853328 25.52107       1.011030  22.73474       0.9321787 2.835159       1.399489  
1 1 1 7   5  41 o 26.60307 0.6871786 7.080929       0.3654992 7.191700       0.5251199 6.976839       0.5090429 0.4030514      1.374357  
1 1 1 7   5  42 o 43.10634 0.6892419 18.35673       0.5902452 20.98513       0.8984465 16.36092       0.7828978 5.357468       1.378484  
1 1 1 7   5  43 o 75.45680 0.9033173 57.03341       1.362900  56.25661       1.902282  57.85268       1.953604  -1.053558      1.806635  
1 1 1 7   5  44 o 82.68362 0.9693207 68.13840       1.596089  72.87373       2.395488  64.35783       2.140411  5.124702       1.938641  
1 1 1 7   5  45 o 56.35156 0.9952918 31.91003       1.105518  32.21098       1.449475  31.49149       1.709345  0.6659927      1.990584  
1 1 1 7   5  46 o 54.94170 0.7616212 30.18357       0.8359007 31.49151       1.219065  29.02291       1.148383  2.240185       1.523242  
1 1 1 7   5  47 o 54.36243 0.7669042 29.53086       0.8322972 31.02324       1.223037  28.24359       1.135882  2.547844       1.533808  
1 1 1 7   5  48 o 42.43568 0.7164903 18.02617       0.6077846 17.31268       0.8452948 18.78985       0.8745248 -1.737614      1.432981  
1 1 1 7   5  49 o 20.00014 0.9194476 3.998745       0.3616337 5.076184       0.5324154 3.075903       0.4927404 4.995411       1.838895  
1 1 1 7   5  50 o 36.16023 0.7431825 13.11019       0.5373765 13.21668       0.7547489 13.00071       0.7652911 0.2998810      1.486365  
1 1 1 7   5  51 o 14.36128 1.225707  2.084160       0.3431998 1.514420       0.4709938 2.729120       0.5011218 -4.222733      2.451413  
1 1 1 7   5  52 o 62.80584 1.452780  40.36052       1.748151  38.09811       2.879379  41.68130       2.200028  -3.028759      2.905560  
1 1 1 7   5  53 o 52.30940 2.154693  0.000000       0.000000  ?              ?         27.71996       2.254214  ?              ?         
1 1 1 7   5  54 o 36.73962 0.7812116 13.50978       0.5729817 14.69386       0.8340399 12.45144       0.7885123 3.043903       1.562423  
1 1 1 7   5  55 o 20.88816 0.9893147 4.393592       0.4121321 4.818747       0.5873922 3.981359       0.5783975 2.002470       1.978629  
1 1 1 7   5  56 o 33.25926 0.8103744 11.11063       0.5389636 11.00722       0.7542468 11.21853       0.7704303 -0.3144341     1.620749  
1 1 1 7   5  57 o 49.39944 1.407693  25.14336       1.336734  23.16320       2.168694  26.35661       1.697546  -3.391731      2.815386  
1 1 1 7   6  0  o 260.2378 2.940367  675.1957       15.06956  664.4590       19.59263  690.7477       23.58028  -5.029541      5.880733  
1 1 1 7   6  1  o 401.8810 5.901443  1617.978       47.43324  1620.132       67.22397  1615.841       66.93841  0.5307922      11.80289  
1 1 1 7   6  2  o 547.2511 8.035313  2984.920       87.43382  2832.046       116.3965  3182.883       132.4541  -31.81744      16.07063  
1 1 1 7   6  3  o 514.0064 7.545925  2642.949       77.39024  2554.199       105.2306  2747.497       114.2131  -18.67661      15.09185  
1 1 1 7   6  4  o 387.8899 4.031389  1500.790       31.18248  1443.558       42.20738  1569.568       46.26938  -16.21173      8.062778  
1 1 1 7   6  5  o 524.6136 7.717422  2731.117       80.21275  2973.966       123.9999  2556.377       105.1841  39.51752       15.43484  
1 1 1 7   6  6  o 349.6659 3.638399  1222.900       25.43451  1201.143       35.37406  1246.188       36.59676  -6.432373      7.276798  
1 1 1 7   6  7  o 122.2335 1.392947  147.5503       3.383807  168.9267       5.133125  131.1219       4.499989  15.46243       2.785894  
1 1 1 7   6  8  f 150.6242 1.606752  226.8889       4.839639  225.7000       6.780342  228.1238       6.910065  -0.8041687     3.213503  
1 1 1 7   6  9  f 559.3011 5.824435  3132.940       65.12926  3194.708       93.63708  3075.052       90.64895  10.65979       11.64887  
1 1 1 7   6  10 o 148.8165 1.576878  221.2200       4.688615  215.6154       6.458991  227.4629       6.816881  -3.979279      3.153756  
1 1 1 7   6  11 o 105.5935 1.143660  111.3970       2.413231  114.1387       3.499961  108.9123       3.331888  2.474243       2.287319  
1 1 1 7   6  12 o 557.2772 5.806379  3109.198       64.65024  3211.849       94.03196  3017.175       89.03133  17.38641       11.61276  
1 1 1 7   6  13 o 393.4842 4.084603  1550.460       32.14357  1543.705       45.24892  1557.342       45.66976  -1.727661      8.169206  
1 1 1 7   6  14 f 66.45964 0.7804245 43.42089       1.025211  39.55793       1.331805  49.03936       1.606165  -7.132488      1.560849  
1 1 1 7   6  15 o 196.4703 2.062143  385.7678       8.095472  395.4134       11.75564  377.0677       11.16466  4.664108       4.124286  
1 1 1 7   6  16 o 175.8621 1.853133  309.1794       6.514011  315.6922       9.410114  303.1872       9.026276  3.552170       3.706265  
1 1 1 7   6  17 o 191.1192 2.009899  365.4424       7.681937  363.2042       10.78042  367.7513       10.94935  -1.187943      4.019797  
1 1 1 7   6  18 f 301.3347 3.135912  908.9521       18.89048  924.6084       27.21334  894.3919       26.24339  4.996796       6.271824  
1 1 1 7   6  19 o 268.2950 2.797910  720.2231       15.00199  705.8613       20.74103  735.9802       21.72520  -5.595398      5.595821  
1 1 1 7   6  20 f 110.1738 1.195456  120.4793       2.617770  113.5421       3.476738  129.5602       3.977824  -7.265045      2.390911  
1 1 1 7   6  21 o 199.3659 2.092477  397.7207       8.340817  403.4093       11.97445  392.3595       11.62472  2.765335       4.184954  
1 1 1 7   6  22 o 78.14606 0.9851922 58.09425       1.451648  52.77960       1.746083  69.98927       2.612221  -11.00456      1.970384  
1 1 1 7   6  23 o 262.3950 2.737632  687.7595       14.33179  663.5682       19.47261  716.3518       21.17002  -10.01996      5.475264  
1 1 1 7   6  24 o 257.6063 2.690439  664.1804       13.85014  649.7715       19.12905  680.0567       20.07962  -5.855255      5.380877  
1 1 1 7   6  25 o 238.7419 2.496976  568.6760       11.88153  545.4678       16.02809  596.9863       17.70246  -10.74968      4.993952  
1 1 1 7   6  26 o 97.23274 1.079208  94.48375       2.097290  92.20158       2.902233  96.97819       3.034198  -2.454781      2.158417  
1 1 1 7   6  27 f 130.8236 1.402607  171.2550       3.669872  170.8894       5.182556  171.6227       5.197441  -0.2800140     2.805215  
1 1 1 7   6  28 o 116.6967 1.265229  136.1829       2.951675  133.8092       4.101893  138.7319       4.250680  -2.106796      2.530457  
1 1 1 7   6  29 o 110.2745 1.466427  122.1900       3.076094  123.2681       3.811289  120.1755       5.210067  1.432953       2.932855  
1 1 1 7   6  30 f 110.3409 1.696034  121.6619       3.736186  117.9023       5.104843  125.9991       5.482924  -3.658249      3.392069  
1 1 1 7   6  31 o 62.22482 1.319048  38.53618       1.536167  39.38821       2.714077  38.13456       1.863364  0.9844437      2.638097  
1 1 1 7   6  32 o 166.8847 3.550430  0.000000       0.000000  ?              ?         279.6933       11.85025  ?              ?         
1 1 1 7   6  33 o 77.02966 1.281396  59.35533       1.972262  60.74886       2.863789  58.09808       2.720151  1.715248       2.562792  
1 1 1 7   6  34 o 87.93605 0.9951175 77.13755       1.745508  80.86699       2.584343  74.00906       2.366995  3.892143       1.990235  
1 1 1 7   6  35 o 90.64931 1.023613  82.25901       1.855707  81.60667       2.608689  82.92726       2.640328  -0.7271729     2.047226  
1 1 1 7   6  36 o 50.09429 0.6880947 24.90611       0.6859468 27.13680       1.035327  23.16080       0.9157853 3.964821       1.376189  
1 1 1 7   6  37 o 36.95349 0.6348870 13.65669       0.4691148 13.99157       0.6720998 13.33854       0.6550844 0.8830643      1.269774  
1 1 1 7   6  38 o 64.94234 0.8046974 41.98273       1.041462  39.57573       1.402442  44.94208       1.555051  -4.125084      1.609395  
1 1 1 7   6  39 o 77.30817 0.9099548 59.69535       1.404403  62.25856       2.062709  57.48036       1.917484  3.082809       1.819910  
1 1 1 7   6  40 o 41.49403 0.6757934 17.15102       0.5593633 18.39460       0.8283570 16.10866       0.7583846 2.751331       1.351587  
1 1 1 7   6  41 o 48.27145 0.7071598 23.11845       0.6795921 21.09091       0.9103450 25.67080       1.021388  -4.738346      1.414320  
1 1 1 7   6  42 o 11.70087 1.174956  1.373312       0.2733203 1.371851       0.3669688 1.375132       0.4096024 -0.9914398E-02 2.349912  
1 1 1 7   6  43 o 46.69842 0.7027302 21.79997       0.6557494 22.69540       0.9520289 20.99166       0.9045326 1.821152       1.405460  
1 1 1 7   6  44 o 50.38905 0.7259868 25.42346       0.7315051 25.75748       1.046606  25.10445       1.022813  0.6461945      1.451974  
1 1 1 7   6  45 o 77.44981 1.333622  60.31771       2.065611  59.28692       2.913448  61.35957       2.929045  -1.335762      2.667245  
1 1 1 7   6  46 o 36.26714 0.6992167 13.16283       0.5068992 13.75916       0.7288204 12.60409       0.7054770 1.590458       1.398433  
1 1 1 7   6  47 o 69.59174 0.8703540 48.56902       1.211386  48.61158       1.715356  48.52667       1.710969  0.6049347E-01  1.740708  
1 1 1 7   6  48 f 39.35354 0.7218117 15.38034       0.5655675 17.30951       0.8467214 13.82627       0.7599607 4.416790       1.443623  
1 1 1 7   6  49 o 44.74570 0.7351034 20.06051       0.6576996 19.78865       0.9181422 20.34704       0.9425952 -0.6213036     1.470207  
1 1 1 7   6  50 o 39.09125 0.7436566 15.23277       0.5793395 13.60448       0.7887564 17.14029       0.8537129 -4.514389      1.487313  
1 1 1 7   6  51 o 48.56427 1.126207  23.78448       1.091484  22.38782       1.561463  25.11897       1.526319  -2.818863      2.252414  
1 1 1 7   6  52 o 68.67908 1.099599  46.51948       1.395631  45.05561       1.666939  49.95107       2.552208  -3.384613      2.199198  
1 1 1 7   6  53 o 54.63499 0.8800240 29.88537       0.9484793 29.41603       1.238482  30.55110       1.475014  -0.9972076     1.760048  
1 1 1 7   6  54 o 13.53039 1.826934  1.872258       0.4671996 1.659340       0.5941049 2.217320       0.7563202 -1.944267      3.653869  
1 1 1 7   6  55 o 58.00156 0.8406518 33.79918       0.9750623 33.25460       1.380789  34.34088       1.377111  -0.9371300     1.681304  
1 1 1 7   6  56 o 53.02581 1.109951  28.36504       1.173655  28.36823       1.599896  28.36131       1.726976  0.4211426E-01  2.219901  
1 1 1 7   6  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   7  0  o 328.8955 4.845792  1081.497       31.83993  1115.452       46.36676  1051.198       43.79972  9.744537       9.691585  
1 1 1 7   7  1  o 260.2972 3.143886  677.6965       16.36334  687.7548       23.44065  668.1361       22.85306  3.764923       6.287772  
1 1 1 7   7  2  o 407.0528 4.231372  1658.409       34.44543  1647.584       48.37214  1669.546       49.06157  -2.692047      8.462744  
1 1 1 7   7  3  o 454.6907 4.724879  2069.978       42.96701  2065.902       60.66427  2074.082       60.86528  -0.8975830     9.449758  
1 1 1 7   7  4  o 497.8843 5.206457  2482.367       51.83881  2465.317       72.69111  2500.013       73.94733  -3.471405      10.41291  
1 1 1 7   7  5  o 404.2419 4.201542  1634.230       33.94045  1601.052       46.87372  1670.796       49.20951  -8.606995      8.403084  
1 1 1 7   7  6  o 325.5144 3.387917  1060.166       22.05369  1068.068       31.47621  1052.546       30.90878  2.380432       6.775833  
1 1 1 7   7  7  o 138.4971 1.470859  191.7296       4.072265  188.4917       5.655581  195.2159       5.868417  -2.426895      2.941719  
1 1 1 7   7  8  o 211.0876 2.206572  445.6482       9.314387  441.7179       13.04721  449.7332       13.30154  -1.897339      4.413144  
1 1 1 7   7  9  o 469.9711 4.891368  2206.826       45.88219  2131.427       62.53394  2294.749       67.52784  -17.31686      9.782737  
1 1 1 7   7  10 o 206.0270 2.155122  423.8340       8.866249  411.5447       12.13768  437.8936       12.98245  -6.389771      4.310245  
1 1 1 7   7  11 o 314.1481 3.264558  987.4811       20.50665  976.3698       28.64579  999.1609       29.36929  -3.620789      6.529117  
1 1 1 7   7  12 o 301.2689 3.140502  908.2417       18.91842  900.7575       26.43064  916.1046       27.09093  -2.540649      6.281004  
1 1 1 7   7  13 o 222.1924 2.322031  493.6836       10.31380  485.7068       14.32336  502.2733       14.86345  -3.723648      4.644062  
1 1 1 7   7  14 o 355.5443 3.692630  1265.522       26.24874  1284.209       37.71981  1247.977       36.55046  5.078308       7.385259  
1 1 1 7   7  15 o 373.8217 3.882993  1400.048       29.03048  1395.818       40.91825  1404.336       41.19373  -1.134552      7.765987  
1 1 1 7   7  16 o 265.1791 2.766020  703.9243       14.66930  707.7120       20.85141  700.2126       20.64123  1.411102       5.532040  
1 1 1 7   7  17 o 317.5121 3.305848  1009.346       20.98318  993.8967       29.15061  1025.959       30.22808  -5.029205      6.611696  
1 1 1 7   7  18 o 295.4642 3.076005  874.4550       18.17693  875.7859       25.74588  873.1324       25.66643  0.4474792      6.152011  
1 1 1 7   7  19 f 167.7868 1.769677  281.5205       5.935299  286.9905       8.565858  276.4688       8.231672  3.131134       3.539354  
1 1 1 7   7  20 o 364.4814 3.795403  1332.061       27.65328  1355.544       39.86574  1310.283       38.39121  6.164032       7.590806  
1 1 1 7   7  21 o 319.5751 3.327972  1023.796       21.27068  1022.476       30.03871  1025.123       30.12403  -0.4119568     6.655944  
1 1 1 7   7  22 o 76.76871 0.8816136 58.31113       1.343092  54.17506       1.770641  63.91555       2.061116  -6.342003      1.763227  
1 1 1 7   7  23 o 43.74763 0.6316715 19.04808       0.5512670 20.49877       0.8157456 17.82871       0.7478857 3.051285       1.263343  
1 1 1 7   7  24 o 88.36540 0.9912820 77.11663       1.735087  71.43687       2.271661  85.07001       2.688152  -7.710228      1.982564  
1 1 1 7   7  25 o 130.4882 1.400557  170.3043       3.654039  167.9060       5.093492  172.8474       5.245024  -1.891266      2.801114  
1 1 1 7   7  26 o 84.26756 0.9586354 70.69244       1.609797  74.86609       2.403293  67.29593       2.168033  4.489258       1.917271  
1 1 1 7   7  27 o 42.93221 0.6410514 18.41780       0.5501201 18.91011       0.7945966 17.96461       0.7623779 1.100910       1.282103  
1 1 1 7   7  28 o 42.74543 0.6479103 17.71200       0.5450400 15.05909       0.6998447 21.80145       0.8689070 -7.885094      1.295821  
1 1 1 7   7  29 o 96.92825 1.334817  92.98016       2.393241  96.76863       4.340693  91.32552       2.868651  2.776688       2.669634  
1 1 1 7   7  30 o 88.35733 1.426081  77.10017       2.493749  85.27449       3.879613  71.34486       3.255342  7.865875       2.852162  
1 1 1 7   7  31 f 54.46235 1.498187  29.68271       1.631896  29.68271       1.631896  ?              ?         ?              ?         
1 1 1 7   7  32 o 86.50110 1.372612  74.83919       2.372327  73.00101       3.269205  76.88376       3.447874  -2.237846      2.745223  
1 1 1 7   7  33 o 45.42979 0.8936285 20.10728       0.7999397 17.55069       1.029176  24.00897       1.271407  -7.101055      1.787257  
1 1 1 7   7  34 o 6.732376 1.452232  0.4441861      0.2357254 0.1085408      0.3632421 0.6883737      0.3098258 -2.787910      2.904463  
1 1 1 7   7  35 o 59.78607 0.7575315 35.67851       0.9044994 34.11436       1.239268  37.46160       1.323159  -2.796654      1.515063  
1 1 1 7   7  36 o 93.07089 1.046513  86.72729       1.947653  87.65353       2.785932  85.84184       2.723909  0.9702988      2.093025  
1 1 1 7   7  37 o 73.72221 0.8744035 54.33965       1.287990  55.91023       1.872339  52.92880       1.774577  2.017731       1.748807  
1 1 1 7   7  38 o 96.56190 1.083557  93.35723       2.091757  91.61452       2.908198  95.22515       3.010853  -1.863525      2.167115  
1 1 1 7   7  39 o 82.10336 1.327390  67.54981       2.178136  69.28947       3.152798  65.96134       3.012676  2.015411       2.654780  
1 1 1 7   7  40 o 82.65506 1.037409  68.67566       1.706571  70.92802       2.324949  66.04440       2.512906  2.967888       2.074817  
1 1 1 7   7  41 o 64.94381 0.8137220 42.23109       1.056793  42.56343       1.508627  41.91089       1.480824  0.5006866      1.627444  
1 1 1 7   7  42 o 57.16484 0.7624928 32.30745       0.8650637 36.11858       1.327811  29.49690       1.140264  5.779564       1.524986  
1 1 1 7   7  43 f 73.26083 0.8888499 53.78790       1.302346  53.86108       1.846235  53.71542       1.837387  0.9864044E-01  1.777700  
1 1 1 7   7  44 o 63.13140 0.8112935 39.77498       1.022021  37.62909       1.389116  42.30736       1.509031  -3.694920      1.622587  
1 1 1 7   7  45 o 51.49734 0.9985979 26.93349       1.002652  25.02617       1.575132  28.23281       1.300062  -3.144707      1.997196  
1 1 1 7   7  46 o 60.91012 0.8077705 37.11526       0.9828994 35.71595       1.351002  38.68882       1.432647  -2.431988      1.615541  
1 1 1 7   7  47 o 62.75706 0.8194808 39.48149       1.028499  39.07386       1.444639  39.90046       1.464601  -0.6563454     1.638962  
1 1 1 7   7  48 o 17.54733 0.9731873 3.089692       0.3413213 3.055208       0.4732537 3.127075       0.4927382 -0.2020359     1.946375  
1 1 1 7   7  49 o 32.41728 0.8417257 10.30622       0.5262888 11.41059       0.8870660 9.706328       0.6537850 2.598703       1.683451  
1 1 1 7   7  50 o 8.812965 1.999290  0.2731621      0.4862662 1.637413       0.7913445 -0.5544608     0.6163604 7.188345       3.998580  
1 1 1 7   7  51 o 33.74207 0.7641596 11.41846       0.5156596 11.57922       0.7309415 11.25917       0.7275760 0.4738083      1.528319  
1 1 1 7   7  52 o 26.64178 0.8176383 7.115915       0.4353058 6.939476       0.6009840 7.310647       0.6313704 -0.6917839     1.635277  
1 1 1 7   7  53 o 19.23396 1.006954  3.716696       0.3871056 3.580673       0.5361346 3.864841       0.5595136 -0.7338448     2.013909  
1 1 1 7   7  54 o 36.82905 0.7836700 13.59191       0.5765851 13.13499       0.7927328 14.10514       0.8401615 -1.308910      1.567340  
1 1 1 7   7  55 o 77.79156 1.345861  61.25229       2.093605  61.82210       2.943926  60.66920       2.977978  0.7517929      2.691723  
1 1 1 7   7  56 o 11.57656 2.011007  1.448224       0.4623069 1.593729       0.6168321 1.261733       0.6983273 1.358563       4.022014  
1 1 1 7   7  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   8  0  o 463.8163 4.847573  2151.642       44.92231  2103.107       61.89544  2205.663       65.30074  -11.02301      9.695147  
1 1 1 7   8  1  o 463.3693 4.821624  2140.315       44.51529  2046.484       59.91932  2255.896       66.50230  -22.53369      9.643249  
1 1 1 7   8  2  o 569.6555 5.936445  3226.795       67.19286  3049.335       89.14531  3460.247       102.2463  -35.91138      11.87289  
1 1 1 7   8  3  o 507.0832 5.267304  2555.893       53.05187  2420.037       70.29778  2735.638       80.85937  -31.00684      10.53461  
1 1 1 7   8  4  o 600.7362 6.278493  3596.482       75.06009  3423.063       100.3600  3816.631       113.0760  -32.59216      12.55699  
1 1 1 7   8  5  o 235.7342 2.460667  555.4860       11.59354  544.9855       16.04981  566.9432       16.76505  -4.653519      4.921334  
1 1 1 7   8  6  o 244.2219 2.547965  596.2535       12.43746  585.1627       17.22614  608.3309       17.97629  -4.738953      5.095929  
1 1 1 7   8  7  o 344.3506 3.576292  1183.399       24.56892  1233.028       36.30534  1141.468       33.37121  13.26947       7.152584  
1 1 1 7   8  8  o 203.6188 2.132196  414.5618       8.679614  420.8025       12.48695  408.7278       12.07316  2.962769       4.264393  
1 1 1 7   8  9  o 201.2473 2.122203  404.9174       8.537200  398.5390       11.84646  411.8092       12.31396  -3.294235      4.244405  
1 1 1 7   8  10 o 343.6684 3.574732  1182.314       24.56969  1177.958       34.58669  1186.750       34.90912  -1.275665      7.149465  
1 1 1 7   8  11 o 78.33229 0.8888330 60.44859       1.377138  67.41617       2.149377  55.59637       1.793665  7.543617       1.777666  
1 1 1 7   8  12 o 202.3472 2.119169  409.2150       8.568693  419.1469       12.43225  400.2277       11.82636  4.670288       4.238339  
1 1 1 7   8  13 o 402.8810 4.183512  1626.142       33.70456  1611.542       47.20151  1641.331       48.14334  -3.681091      8.367024  
1 1 1 7   8  14 o 353.1528 3.670107  1248.808       25.91258  1230.937       36.06461  1267.880       37.25628  -5.210358      7.340214  
1 1 1 7   8  15 o 387.0000 4.021770  1500.730       31.12102  1519.863       44.60189  1482.578       43.44447  4.793701       8.043540  
1 1 1 7   8  16 o 72.67166 0.8401151 51.68937       1.202716  46.71735       1.546775  59.29215       1.912701  -8.650070      1.680230  
1 1 1 7   8  17 o 325.7237 3.388524  1063.139       22.07442  1062.347       31.19001  1063.933       31.24596  -0.2423096     6.777047  
1 1 1 7   8  18 o 125.8067 1.352810  158.3210       3.403663  159.3963       4.844290  157.2725       4.783303  0.8434906      2.705620  
1 1 1 7   8  19 o 281.4373 2.933188  793.5172       16.50838  799.9592       23.55473  787.2984       23.14344  2.239624       5.866376  
1 1 1 7   8  20 o 239.1432 2.499887  572.1297       11.94657  559.7742       16.49528  585.7598       17.32526  -5.416702      4.999774  
1 1 1 7   8  21 o 111.6597 1.213947  124.3276       2.704800  119.2362       3.677572  130.3271       3.992083  -4.963371      2.427894  
1 1 1 7   8  22 f 198.0671 2.080133  392.3932       8.234225  384.5144       11.39003  401.0192       11.91779  -4.156906      4.160265  
1 1 1 7   8  23 o 332.2828 3.460776  1106.384       22.97783  1081.839       31.69182  1133.587       33.36374  -7.733429      6.921552  
1 1 1 7   8  24 o 172.9800 1.826468  299.4808       6.318407  301.2151       8.998829  297.7944       8.873638  0.9864807      3.652937  
1 1 1 7   8  25 o 140.2960 1.497716  196.9651       4.202472  196.9745       5.943266  196.9556       5.943120  0.6713867E-02  2.995432  
1 1 1 7   8  26 o 82.96890 0.9464732 68.79301       1.569499  70.58212       2.270862  67.15676       2.171673  2.063148       1.892946  
1 1 1 7   8  27 o 159.4231 2.401263  253.9562       7.637570  244.5660       10.37443  265.0676       11.28527  -6.400604      4.802526  
1 1 1 7   8  28 o 42.65262 0.9795088 17.21801       0.8116133 22.82762       1.357374  14.09645       1.012556  10.22989       1.959018  
1 1 1 7   8  29 o 67.53589 1.003468  46.24380       1.292579  47.76497       1.616910  43.55051       2.151497  3.129349       2.006936  
1 1 1 7   8  30 o 39.82778 0.6315073 15.77301       0.5014723 17.12563       0.7455009 14.65519       0.6777136 3.100479       1.263015  
1 1 1 7   8  31 o 140.1777 1.500552  196.6866       4.204900  193.1300       5.839499  200.5167       6.059874  -2.626633      3.001104  
1 1 1 7   8  32 o 82.54406 0.9464529 67.58449       1.551997  73.23872       2.366274  63.31586       2.055997  6.001846       1.892906  
1 1 1 7   8  33 o 123.8622 1.342261  153.6758       3.325020  152.8956       4.681625  154.4699       4.723228  -0.6335907     2.684522  
1 1 1 7   8  34 o 65.46718 0.9705338 42.99428       1.212325  43.20805       1.505817  42.60043       2.043887  0.4840469      1.941068  
1 1 1 7   8  35 f 134.1704 2.038683  180.9618       5.470481  180.2741       7.703966  181.6612       7.769307  -0.5109100     4.077367  
1 1 1 7   8  36 o 110.4613 1.552468  122.9534       3.389932  118.6957       5.154967  126.1976       4.499732  -3.444649      3.104936  
1 1 1 7   8  37 o 57.35787 0.7465826 32.91503       0.8562891 32.13510       1.198506  33.72829       1.223843  -1.387810      1.493165  
1 1 1 7   8  38 o 16.65557 1.016068  2.753859       0.3354209 2.277096       0.4534231 3.330097       0.4984863 -3.158513      2.032136  
1 1 1 7   8  39 o 43.37500 0.6683943 18.73969       0.5783944 17.19340       0.7885045 20.54086       0.8510139 -3.855930      1.336789  
1 1 1 7   8  40 o 40.50852 0.6569435 16.40960       0.5317832 16.74272       0.7710099 16.10734       0.7344328 0.7825699      1.313887  
1 1 1 7   8  41 o 83.02032 0.9658108 69.07037       1.603525  69.17264       2.282108  68.97063       2.253615  0.1194229      1.931622  
1 1 1 7   8  42 o 26.17186 0.6846932 6.845638       0.3578950 7.078707       0.5230467 6.640442       0.4907734 0.8353004      1.369386  
1 1 1 7   8  43 o 15.98388 1.084407  2.709464       0.3270338 3.226505       0.4270304 1.976105       0.5085744 3.920146       2.168814  
1 1 1 7   8  44 o 64.22863 0.8263699 41.32893       1.061379  40.67350       1.485776  42.01197       1.516737  -1.039165      1.652740  
1 1 1 7   8  45 o 62.07761 0.8162529 38.60975       1.013229  37.88097       1.416376  39.37360       1.450062  -1.198917      1.632506  
1 1 1 7   8  46 o 66.33093 0.8467221 44.05920       1.122239  45.38551       1.630211  42.86450       1.547211  1.891029       1.693444  
1 1 1 7   8  47 o 70.08260 0.8794945 49.25369       1.232617  48.44807       1.728808  50.08668       1.757924  -1.165520      1.758989  
1 1 1 7   8  48 o 19.01799 1.577587  3.803540       0.5716578 3.055650       0.9031301 4.303497       0.7384108 -3.317493      3.155174  
1 1 1 7   8  49 o 8.013351 1.539048  0.5940568      0.3304535 1.257790       0.4344998 -0.3165960     0.5089429 5.949177       3.078096  
1 1 1 7   8  50 o 34.43173 0.7333975 11.87072       0.5046863 12.36687       0.7302611 11.41707       0.6982809 1.375111       1.466795  
1 1 1 7   8  51 o 26.27785 0.8106337 6.931668       0.4257321 6.627912       0.6018361 7.235909       0.6023164 -1.156794      1.621267  
1 1 1 7   8  52 o 55.78812 0.8085787 31.18630       0.9011500 32.27421       1.313194  30.21804       1.238887  1.830891       1.617157  
1 1 1 7   8  53 o 29.25521 0.8059064 8.598131       0.4712332 8.761866       0.6587657 8.426556       0.6743565 0.5758553      1.611813  
1 1 1 7   8  54 f 50.68584 0.8002876 25.74244       0.8103340 26.88926       1.181089  24.72251       1.113837  2.125412       1.600575  
1 1 1 7   8  55 o 32.42977 1.075560  10.71820       0.6897152 11.81026       0.9420562 9.456542       1.012565  3.647440       2.151120  
1 1 1 7   8  56 o 21.79668 1.269161  4.810680       0.5519157 4.917064       0.7596667 4.691752       0.8032053 0.5303230      2.538323  
1 1 1 7   9  0  o 113.4925 1.231677  128.7744       2.795136  126.8044       3.904260  130.8458       4.003444  -1.780251      2.463355  
1 1 1 7   9  1  o 465.0823 4.835405  2150.733       44.69585  2037.831       59.38260  2298.286       67.88647  -27.91232      9.670811  
1 1 1 7   9  2  o 382.7108 3.973749  1466.083       30.41509  1471.017       43.20172  1461.234       42.82759  1.274933       7.947498  
1 1 1 7   9  3  o 244.2647 2.550379  595.2954       12.43090  619.6412       18.33681  574.5916       16.90969  9.213150       5.100759  
1 1 1 7   9  4  o 169.1195 1.783398  286.0622       6.031839  284.8161       8.480337  287.3381       8.581175  -0.7452087     3.566795  
1 1 1 7   9  5  o 518.7175 5.402744  2678.323       55.73030  2539.283       74.22794  2857.964       84.37209  -30.58041      10.80549  
1 1 1 7   9  6  o 202.8418 2.124236  410.6051       8.599841  397.2816       11.72023  426.1456       12.65784  -7.109650      4.248471  
1 1 1 7   9  7  o 224.2673 2.341846  502.9154       10.49935  511.5219       15.11978  494.9004       14.59097  3.702255       4.683691  
1 1 1 7   9  8  o 219.5392 2.295115  480.0449       10.03836  459.3900       13.50560  505.5415       15.00530  -10.50072      4.590231  
1 1 1 7   9  9  o 273.9260 2.853009  750.8951       15.62995  753.4127       22.18807  748.4155       22.02104  0.9106140      5.706017  
1 1 1 7   9  10 o 89.45956 0.9920656 79.99298       1.774278  81.55529       2.553690  78.53497       2.466971  1.687790       1.984131  
1 1 1 7   9  11 o 239.6907 2.502124  574.9075       11.99460  573.4973       16.91745  576.3330       17.00876  -0.5906525     5.004248  
1 1 1 7   9  12 f 101.0987 1.105635  101.0618       2.215087  94.20505       2.905879  110.5721       3.422303  -8.092133      2.211269  
1 1 1 7   9  13 o 163.9572 1.730702  268.8271       5.673359  265.1815       7.903282  272.7028       8.149043  -2.291641      3.461404  
1 1 1 7   9  14 o 301.1893 3.135472  906.0042       18.84226  942.6284       27.81826  874.9585       25.61219  11.19739       6.270945  
1 1 1 7   9  15 f 198.1979 2.077779  392.8336       8.231417  385.7060       11.40999  400.5692       11.88660  -3.743820      4.155559  
1 1 1 7   9  16 o 55.48643 0.6931212 30.72420       0.7680939 32.00093       1.123232  29.60279       1.052694  2.160694       1.386242  
1 1 1 7   9  17 o 295.2607 3.075931  873.4921       18.16342  869.6138       25.56194  877.4470       25.81382  -1.320709      6.151861  
1 1 1 7   9  18 o 238.6994 2.495383  570.5419       11.91222  566.9891       16.73729  574.1890       16.95773  -1.503723      4.990766  
1 1 1 7   9  19 o 257.6999 2.690977  662.3738       13.81907  696.5607       20.61803  634.4904       18.62050  12.00081       5.381954  
1 1 1 7   9  20 o 232.5375 2.434737  541.4550       11.32328  541.7252       16.04444  541.1869       15.98281  0.1145630      4.869474  
1 1 1 7   9  21 o 108.8877 1.186799  118.3719       2.580466  114.6872       3.531756  122.5917       3.779488  -3.627106      2.373598  
1 1 1 7   9  22 o 61.71462 0.7614284 38.07271       0.9394909 38.81415       1.350793  37.37799       1.307544  1.163250       1.522857  
1 1 1 7   9  23 o 126.7257 1.363569  160.5812       3.454235  163.5564       4.980908  157.8245       4.794475  2.259018       2.727138  
1 1 1 7   9  24 o 106.5312 1.439724  113.4360       2.881567  113.9235       5.032112  113.1981       3.514920  0.3172836      2.879448  
1 1 1 7   9  25 o 136.8800 2.086343  187.5740       5.710261  190.0088       8.181741  185.2616       7.973348  1.729034       4.172686  
1 1 1 7   9  26 o 131.2153 2.009572  171.6114       5.252903  181.2854       7.858654  163.7983       7.062428  6.642647       4.019144  
1 1 1 7   9  27 o 101.2482 1.218272  100.9184       2.393850  96.08813       3.006733  109.2812       3.956241  -6.497437      2.436545  
1 1 1 7   9  28 o 191.0239 2.012505  365.4577       7.686076  370.8758       11.04459  360.3696       10.70297  2.738403       4.025010  
1 1 1 7   9  29 o 122.5594 1.327277  150.2599       3.251647  153.3214       4.692355  147.4316       4.510106  2.397827       2.654554  
1 1 1 7   9  30 o 191.3157 2.017766  366.0308       7.702944  380.8889       11.36260  353.3955       10.47828  7.143204       4.035532  
1 1 1 7   9  31 o 74.83131 0.8770843 55.85513       1.309849  53.47393       1.782634  58.64939       1.931068  -3.454407      1.754169  
1 1 1 7   9  32 o 95.90321 1.071435  92.03809       2.054563  90.59041       2.866596  93.56731       2.946220  -1.549217      2.142869  
1 1 1 7   9  33 o 18.40203 0.7271064 3.325608       0.2609694 4.534009       0.3973370 2.408858       0.3460820 5.772909       1.454213  
1 1 1 7   9  34 o 26.80033 0.6260747 7.161640       0.3349904 7.733886       0.4897103 6.658367       0.4592512 2.005703       1.252149  
1 1 1 7   9  35 o 19.75420 0.7196362 3.897693       0.2810445 3.142188       0.3859604 4.750433       0.4100459 -4.069841      1.439272  
1 1 1 7   9  36 o 85.40169 1.191744  72.50356       1.910440  71.42551       2.321367  74.76619       3.363041  -1.892570      2.383489  
1 1 1 7   9  37 o 115.6274 1.778357  134.3509       4.112449  134.9971       5.839187  133.7150       5.792852  0.5498734      3.556715  
1 1 1 7   9  38 o 44.85390 0.8964050 20.11430       0.8033667 19.41614       1.106720  20.89195       1.168021  -1.641693      1.792810  
1 1 1 7   9  39 o 52.85087 0.7714182 27.83641       0.8053197 28.76511       1.249562  27.17663       1.053229  1.492180       1.542836  
1 1 1 7   9  40 o 47.78660 0.7030039 22.63011       0.6683611 20.55706       0.8919116 25.28506       1.009357  -4.940708      1.406008  
1 1 1 7   9  41 o 93.86533 1.065856  88.33906       2.000808  87.53671       2.810032  89.16412       2.849520  -0.8632965     2.131711  
1 1 1 7   9  42 o 45.87687 0.6951523 20.84161       0.6339356 23.27320       0.9635504 18.98579       0.8417784 4.664474       1.390305  
1 1 1 7   9  43 o 43.05771 0.6846202 18.54014       0.5889539 19.10068       0.8568010 18.03805       0.8109060 1.230648       1.369240  
1 1 1 7   9  44 o 32.98578 0.6895874 10.76824       0.4521129 12.15326       0.6869978 9.710126       0.6004706 3.696457       1.379175  
1 1 1 7   9  45 f 44.58533 0.7139701 19.81722       0.6350467 18.18036       0.8652873 21.72819       0.9349343 -3.972401      1.427940  
1 1 1 7   9  46 o 21.75752 1.251869  5.058400       0.4959058 3.985802       0.8532932 5.605442       0.6093824 -3.761326      2.503739  
1 1 1 7   9  47 o 24.73380 1.116252  6.429408       0.5263824 7.508678       0.6895595 4.922240       0.8148680 5.247946       2.232504  
1 1 1 7   9  48 o 68.42242 0.8714873 46.91423       1.191790  45.52945       1.648997  48.42859       1.724424  -2.108658      1.742975  
1 1 1 7   9  49 f 33.60970 0.7389438 11.30961       0.4963437 11.86751       0.7175052 10.79764       0.6873382 1.587753       1.477888  
1 1 1 7   9  50 o 33.68774 0.7405482 11.37720       0.4988184 11.27411       0.6962929 11.48590       0.7149486 -0.3119011     1.481096  
1 1 1 7   9  51 o 35.84158 0.7548305 12.85622       0.5404369 13.70792       0.7849869 12.08877       0.7451542 2.253025       1.509661  
1 1 1 7   9  52 o 12.86413 1.423802  1.704474       0.3491594 1.261183       0.4801671 2.201884       0.5086334 -3.824288      2.847605  
1 1 1 7   9  53 o 8.266976 1.823900  0.6946338      0.3335939 0.6918000      0.4592813 0.6977983      0.4853428 -0.7300758E-01 3.647800  
1 1 1 7   9  54 o 29.27453 1.052581  8.661651       0.6133788 9.584715       0.8650955 7.728474       0.8698211 3.171543       2.105162  
1 1 1 7   9  55 o 29.37804 1.084419  8.751447       0.6319630 9.155625       0.8536633 8.261352       0.9400267 1.545498       2.168838  
1 1 1 7   9  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   10 0  o 81.00477 1.281196  65.40048       2.071485  69.17400       3.050206  62.17022       2.822116  4.322342       2.562391  
1 1 1 7   10 1  o 344.0203 4.389572  1179.842       28.27426  1200.245       49.85762  1170.170       34.32805  4.198517       8.779143  
1 1 1 7   10 2  o 511.4056 5.313689  2616.407       54.27307  2541.467       74.42838  2701.502       79.31154  -15.57803      10.62738  
1 1 1 7   10 3  f 257.3715 2.683914  662.7607       13.81514  660.7844       19.48904  664.7566       19.58645  -0.7709961     5.367828  
1 1 1 7   10 4  o 392.3486 4.082367  1535.882       31.92450  1605.486       47.53357  1478.686       43.08906  16.10776       8.164734  
1 1 1 7   10 5  o 478.0198 4.965977  2281.773       47.32615  2195.838       63.97218  2385.664       70.33844  -19.76151      9.931954  
1 1 1 7   10 6  o 323.9214 3.366718  1049.999       21.80538  1037.579       30.42689  1063.112       31.26511  -3.932343      6.733436  
1 1 1 7   10 7  o 163.0949 1.722436  263.8080       5.577448  248.5584       7.374669  284.1873       8.525247  -10.91611      3.444871  
1 1 1 7   10 8  o 192.9027 2.026838  372.1363       7.817523  377.7993       11.21507  366.7844       10.90284  2.852737       4.053675  
1 1 1 7   10 9  o 223.1987 2.334931  497.3273       10.40299  516.2177       15.29193  481.0532       14.19349  7.867264       4.669863  
1 1 1 7   10 10 o 466.9911 4.853735  2179.404       45.19834  2282.703       67.08768  2093.546       61.16262  20.12830       9.707470  
1 1 1 7   10 11 o 248.6142 2.593526  618.6312       12.89547  620.8348       18.30873  616.4617       18.16600  0.8777466      5.187052  
1 1 1 7   10 12 o 199.0660 2.087394  396.2967       8.306423  389.7826       11.53130  403.3222       11.97540  -3.396027      4.174789  
1 1 1 7   10 13 o 179.1147 1.884550  320.9702       6.750439  318.8042       9.473383  323.2044       9.621466  -1.226761      3.769101  
1 1 1 7   10 14 o 307.2622 3.201610  945.7368       19.67368  951.1273       27.99165  940.4744       27.65694  1.726929       6.403219  
1 1 1 7   10 15 o 168.0719 1.773933  282.5465       5.960931  286.6543       8.564736  278.6873       8.301483  2.366852       3.547867  
1 1 1 7   10 16 o 202.9443 2.133493  412.2184       8.658386  409.0748       12.12572  415.4886       12.36748  -1.576172      4.266987  
1 1 1 7   10 17 o 188.9943 1.986625  357.4145       7.507497  361.7500       10.75579  353.2955       10.48384  2.232330       3.973250  
1 1 1 7   10 18 o 103.3981 1.313027  106.9303       2.714843  108.1016       3.881951  105.8090       3.798157  1.107735       2.626054  
1 1 1 7   10 19 o 62.86506 0.7640827 39.52538       0.9606811 39.45321       1.357967  39.59769       1.359251  -0.1148987     1.528165  
1 1 1 7   10 20 o 152.3352 1.618392  231.0443       4.910095  244.4563       7.358864  220.2818       6.592086  7.923721       3.236783  
1 1 1 7   10 21 o 132.7446 1.423132  175.5034       3.764690  167.4407       5.071753  185.3972       5.618241  -6.756363      2.846263  
1 1 1 7   10 22 o 140.6735 2.137093  198.0167       6.009192  201.7400       8.675372  194.5827       8.331611  2.536621       4.274185  
1 1 1 7   10 23 f 208.2295 3.100481  434.8244       12.91110  437.8746       18.40473  431.8689       18.11677  1.432465       6.200962  
1 1 1 7   10 24 o 152.6596 1.993837  233.2206       5.726408  232.9648       6.996299  233.7397       9.967306  -0.1864471     3.987674  
1 1 1 7   10 25 o 155.0577 1.647618  239.8597       5.095206  251.0084       7.552209  230.5456       6.902907  6.584579       3.295237  
1 1 1 7   10 26 o 122.1474 1.321133  149.2995       3.227236  150.3249       4.596626  148.3027       4.532059  0.8264694      2.642266  
1 1 1 7   10 27 o 143.5280 1.533157  206.1711       4.399967  203.6804       6.142488  208.7959       6.305707  -1.777893      3.066314  
1 1 1 7   10 28 o 77.89291 0.9030721 60.70110       1.406854  60.50352       1.988830  60.89898       1.990355  -0.2538223     1.806144  
1 1 1 7   10 29 o 63.47532 0.7809585 39.96930       0.9856083 43.35543       1.495667  37.37024       1.310363  4.711235       1.561917  
1 1 1 7   10 30 o 96.78615 1.078949  93.55072       2.085102  90.32416       2.851278  97.25972       3.057019  -3.576866      2.157898  
1 1 1 7   10 31 o 46.91257 0.6705375 22.01433       0.6290552 22.17471       0.8979442 21.85975       0.8815198 0.3353348      1.341075  
1 1 1 7   10 32 o 129.1153 1.394114  166.3114       3.587791  158.8815       4.839577  175.3775       5.345935  -6.363441      2.788228  
1 1 1 7   10 33 o 77.63519 0.9052970 60.28693       1.405010  58.91441       1.951062  61.76538       2.024966  -1.833298      1.810594  
1 1 1 7   10 34 o 56.91828 0.7343872 32.38754       0.8352988 33.16202       1.211377  31.68548       1.153340  1.295116       1.468774  
1 1 1 7   10 35 o 55.30674 0.7319471 30.56374       0.8089859 29.33878       1.117727  31.91143       1.172386  -2.323795      1.463894  
1 1 1 7   10 36 o 66.62086 0.9780135 45.07508       1.272331  47.75558       1.660081  41.25882       1.980800  4.892708       1.956027  
1 1 1 7   10 37 o 77.33450 0.9105850 59.73734       1.406078  57.35675       1.922328  62.47641       2.062000  -3.302559      1.821170  
1 1 1 7   10 38 o 14.45564 0.9540176 2.059332       0.2725602 1.667428       0.3627101 2.567703       0.4131045 -3.110596      1.908035  
1 1 1 7   10 39 o 37.57453 0.8556980 14.07997       0.6415242 13.28726       0.8713655 15.01819       0.9479726 -2.298622      1.711396  
1 1 1 7   10 40 o 12.31103 1.318928  1.568370       0.3085085 1.970957       0.4374565 1.170024       0.4351465 3.416177       2.637856  
1 1 1 7   10 41 f 61.82225 0.9542879 37.61459       1.104543  40.27444       1.971005  36.39687       1.333626  3.080711       1.908576  
1 1 1 7   10 42 o 16.09676 0.8703501 2.584302       0.2795196 2.810260       0.4121339 2.391827       0.3803743 1.296869       1.740700  
1 1 1 7   10 43 o 35.82249 0.6761629 12.77979       0.4826975 11.39025       0.6579514 14.39937       0.7103283 -4.196140      1.352326  
1 1 1 7   10 44 o 33.70033 0.9223328 11.13446       0.5408417 11.91136       1.091359  10.88156       0.6226809 1.476715       1.844666  
1 1 1 7   10 45 f 9.133026 2.084985  0.6233127      0.4684208 1.433849       0.7476972 0.9967012E-01  0.6009758 5.067510       4.169971  
1 1 1 7   10 46 o 19.58051 0.8494113 3.768662       0.3273268 4.872169       0.4995935 2.938672       0.4332772 4.929565       1.698823  
1 1 1 7   10 47 o 31.45851 0.7159901 9.933830       0.4494601 9.184375       0.6366706 10.67842       0.6345996 -2.374842      1.431980  
1 1 1 7   10 48 o 40.84464 0.8017924 16.87138       0.6494991 18.46469       0.8932889 15.08434       0.9460402 4.144905       1.603585  
1 1 1 7   10 49 o 30.75040 0.7528451 9.483008       0.4629786 9.530162       0.6522394 9.435121       0.6572911 0.1552086      1.505690  
1 1 1 7   10 50 o 30.57193 0.7593632 9.369274       0.4637764 10.00405       0.6639708 8.764525       0.6480758 2.025042       1.518726  
1 1 1 7   10 51 o 13.99653 1.213470  1.973127       0.3387255 1.776197       0.4706590 2.184719       0.4878647 -1.455232      2.426941  
1 1 1 7   10 52 o 22.33838 0.8932915 4.992965       0.3980151 4.522069       0.5446368 5.532692       0.5830845 -2.254566      1.786583  
1 1 1 7   10 53 o 6.843535 1.741993  0.9515917E-01  0.3714857 0.8700498      0.5462249 -0.5716912     0.5067170 4.649008       3.483986  
1 1 1 7   10 54 o 17.41650 1.411732  3.032869       0.4841136 2.850632       0.6241435 3.308084       0.7670102 -1.264238      2.823464  
1 1 1 7   10 55 o 26.44654 1.124550  7.203875       0.5815846 8.088470       0.7790881 6.090500       0.8740479 3.802975       2.249100  
1 1 1 7   11 0  o 187.4175 2.418558  349.0781       8.469713  344.9232       10.25450  357.9969       15.02410  -3.453415      4.837116  
1 1 1 7   11 1  o 392.7045 5.816612  1534.862       45.32032  1637.319       69.42032  1458.761       59.82910  22.56155       11.63322  
1 1 1 7   11 2  o 450.6201 6.636722  1987.717       58.50037  1812.167       74.07745  2278.628       95.35999  -51.30576      13.27344  
1 1 1 7   11 3  f 429.3090 6.310315  1849.724       54.17557  1835.259       75.94898  1864.708       77.30054  -3.401581      12.62063  
1 1 1 7   11 4  f 52.03220 0.8366665 26.47458       0.8434783 29.43900       1.406760  24.81065       1.053942  4.446560       1.673333  
1 1 1 7   11 5  o 229.2137 2.936252  524.5663       12.64460  529.6319       22.10997  522.1042       15.41411  1.570740       5.872504  
1 1 1 7   11 6  o 70.28660 0.8176911 48.50371       1.134525  54.94306       1.787839  44.16246       1.467960  7.667999       1.635382  
1 1 1 7   11 7  o 261.8105 2.729044  685.9873       14.28863  681.2301       20.05125  690.8952       20.36678  -1.842224      5.458088  
1 1 1 7   11 8  o 80.37122 0.9124612 62.87940       1.437783  73.23885       2.329807  56.50730       1.827230  10.40685       1.824922  
1 1 1 7   11 9  o 434.4218 4.513023  1888.295       39.13496  1956.922       57.52474  1829.166       53.39600  14.61365       9.026047  
1 1 1 7   11 10 o 315.4172 3.281253  996.2837       20.69625  1005.984       29.57320  986.9725       28.97383  3.003510       6.562506  
1 1 1 7   11 11 o 105.7226 1.151757  111.6028       2.432010  115.3331       3.553060  108.3145       3.335959  3.317932       2.303514  
1 1 1 7   11 12 o 210.7590 2.207977  444.1172       9.298798  434.4864       12.83241  454.7658       13.49345  -4.802139      4.415953  
1 1 1 7   11 13 o 266.7958 2.783135  712.7865       14.84914  707.9645       20.82882  717.7702       21.17516  -1.831146      5.566271  
1 1 1 7   11 14 o 296.5443 3.089164  881.0944       18.32006  875.0444       25.71707  887.3281       26.10421  -2.062103      6.178329  
1 1 1 7   11 15 o 255.2090 2.663770  652.3136       13.59539  647.9728       19.09046  656.7807       19.36607  -1.719742      5.327540  
1 1 1 7   11 16 f 227.3818 2.379596  516.6592       10.80310  534.3726       15.84014  501.2552       14.77156  7.262177       4.759192  
1 1 1 7   11 17 o 84.57771 0.9612985 71.54794       1.626079  71.89372       2.302794  71.20409       2.296465  0.4076462      1.922597  
1 1 1 7   11 18 o 114.7781 1.776371  131.7807       4.076321  129.7949       5.674561  133.8981       5.859462  -1.784729      3.552742  
1 1 1 7   11 19 o 80.79123 1.137346  66.27201       1.760551  61.75430       2.892286  68.93123       2.219006  -4.448402      2.274692  
1 1 1 7   11 20 o 174.4694 2.614741  304.7942       9.119994  299.9336       12.67857  310.0060       13.12843  -2.875534      5.229481  
1 1 1 7   11 21 o 97.87529 1.554261  95.19045       3.026494  89.71120       4.037528  102.2177       4.572422  -6.380516      3.108522  
1 1 1 7   11 22 o 139.7151 1.493848  194.6750       4.162739  186.9764       5.640800  203.8815       6.168539  -6.041260      2.987696  
1 1 1 7   11 23 o 107.7615 1.180565  116.0805       2.542666  113.6595       3.518790  118.7259       3.678255  -2.348518      2.361130  
1 1 1 7   11 24 o 112.5630 1.229103  126.6665       2.765204  123.9440       3.827525  129.6390       3.999308  -2.526947      2.458205  
1 1 1 7   11 25 o 120.2582 1.303252  144.6843       3.133794  146.5907       4.491014  142.8752       4.374973  1.542503       2.606505  
1 1 1 7   11 26 o 146.2437 1.562066  213.0499       4.549875  203.1471       6.109821  225.3782       6.817117  -7.582306      3.124132  
1 1 1 7   11 27 f 90.15938 1.017899  81.33446       1.835460  81.52145       2.598540  81.14828       2.592934  0.2068329      2.035799  
1 1 1 7   11 28 o 105.9898 1.167148  112.2263       2.470536  116.2114       3.613157  108.7273       3.385660  3.524460       2.334295  
1 1 1 7   11 29 o 100.0919 1.109116  100.2666       2.220109  99.37880       3.116720  101.1811       3.163212  -0.8989410     2.218232  
1 1 1 7   11 30 o 130.0765 1.403016  169.3560       3.647356  173.1104       5.279580  165.9282       5.044713  2.750244       2.806033  
1 1 1 7   11 31 o 81.14268 0.9376082 65.74297       1.518764  68.32489       2.231434  63.51462       2.073019  2.958961       1.875216  
1 1 1 7   11 32 o 41.59813 0.6451811 17.29156       0.5363913 16.45118       0.7450815 18.19569       0.7728224 -2.096119      1.290362  
1 1 1 7   11 33 o 51.30736 0.7007496 25.86615       0.7119864 22.99375       0.9308518 29.91579       1.105265  -6.740112      1.401499  
1 1 1 7   11 34 f 27.76406 0.6229514 7.687693       0.3453537 8.216100       0.5054473 7.224999       0.4729760 1.783869       1.245903  
1 1 1 7   11 35 o 62.82055 1.016855  39.71043       1.266941  41.13619       1.703958  37.94775       1.894620  2.548088       2.033711  
1 1 1 7   11 36 o 74.48850 0.8864470 55.29010       1.315947  58.62014       1.963469  52.57444       1.773116  4.048462       1.772894  
1 1 1 7   11 37 o 100.3536 1.123726  100.4269       2.246906  95.25789       3.022681  106.8104       3.359085  -5.730377      2.247451  
1 1 1 7   11 38 o 41.17650 0.6673248 16.89758       0.5483685 15.61866       0.7487218 18.37745       0.8053960 -3.347298      1.334650  
1 1 1 7   11 39 o 41.01852 0.6646021 16.81939       0.5447389 17.36793       0.7909319 16.32438       0.7513459 1.269924       1.329204  
1 1 1 7   11 40 o 89.80238 1.030889  80.76399       1.850043  78.60398       2.554803  83.14547       2.682583  -2.516968      2.061778  
1 1 1 7   11 41 f 25.59745 0.8670242 6.557644       0.4434213 6.382264       0.6106754 6.753238       0.6449088 -0.7216206     1.734048  
1 1 1 7   11 42 o 89.34703 1.742059  81.81248       3.010497  75.26891       4.812544  86.01926       3.858709  -6.191063      3.484119  
1 1 1 7   11 43 o 33.14220 1.498025  0.000000       0.000000  ?              ?         11.02503       0.9929571 ?              ?         
1 1 1 7   11 44 o 27.11795 0.7194939 7.318624       0.3889141 8.049476       0.5785695 6.716165       0.5252969 2.453405       1.438988  
1 1 1 7   11 45 o 13.13756 1.124107  1.721424       0.2940692 1.874067       0.4418760 1.600075       0.3939853 1.035447       2.248214  
1 1 1 7   11 46 o 36.40308 0.7064927 13.21932       0.5124962 11.73117       0.7015190 14.92261       0.7505178 -4.378441      1.412985  
1 1 1 7   11 47 o 41.50340 0.7125510 17.25511       0.5909451 16.26782       0.8264104 18.28819       0.8453568 -2.431911      1.425102  
1 1 1 7   11 48 o 29.20918 0.7364294 8.569212       0.4289829 7.811039       0.6058121 9.331711       0.6075383 -2.602854      1.472859  
1 1 1 7   11 49 o 35.94516 0.7230341 12.90792       0.5187667 13.71482       0.7634268 12.21570       0.7071004 2.078072       1.446068  
1 1 1 7   11 50 o 27.22851 0.8024135 7.439453       0.4369541 7.529567       0.6203017 7.350693       0.6156178 0.3277454      1.604827  
1 1 1 7   11 51 o 27.56908 0.8183602 7.622850       0.4491455 6.666396       0.6230106 8.657914       0.6481078 -3.607704      1.636720  
1 1 1 7   11 52 o 43.48756 0.8802755 19.11965       0.7466347 18.46125       1.185081  19.55301       0.9614494 -1.298496      1.760551  
1 1 1 7   11 53 f 22.47243 1.155466  4.988906       0.5135864 4.161503       0.6757042 6.120853       0.7903342 -4.328865      2.310933  
1 1 1 7   11 54 o 17.09672 1.469253  3.076942       0.4822091 3.838542       0.6601043 2.205481       0.7061114 4.792322       2.938505  
1 1 1 7   11 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   12 0  o 223.7918 2.339341  500.6967       10.46284  511.7829       15.14745  490.5811       14.46922  4.730865       4.678682  
1 1 1 7   12 1  o 234.8236 2.457607  551.6489       11.53910  545.8282       16.10444  557.7901       16.54186  -2.542770      4.915214  
1 1 1 7   12 2  o 458.6710 4.764244  2108.664       43.69262  2135.255       62.66376  2083.505       60.95313  5.608063       9.528488  
1 1 1 7   12 3  o 63.79417 0.7659165 40.64225       0.9761071 39.56520       1.342429  41.85050       1.421839  -1.790894      1.531833  
1 1 1 7   12 4  o 197.2393 2.508547  393.3078       9.519922  404.5605       12.02467  374.4094       15.58316  7.682373       5.017094  
1 1 1 7   12 5  o 123.0894 1.857902  151.3393       4.568059  156.1647       6.663785  147.0617       6.274223  3.694313       3.715804  
1 1 1 7   12 6  f 325.8724 4.796463  1064.885       31.24972  1080.831       44.91061  1049.917       43.51021  4.710419       9.592925  
1 1 1 7   12 7  o 158.9154 2.367164  252.2928       7.512142  260.6191       10.99278  244.9976       10.28959  4.906433       4.734328  
1 1 1 7   12 8  o 105.8810 1.394861  113.0741       2.835766  108.7453       4.677586  115.5896       3.565756  -3.240448      2.789721  
1 1 1 7   12 9  o 149.6112 1.588677  223.8881       4.752957  221.7499       6.652627  226.1176       6.792962  -1.458359      3.177355  
1 1 1 7   12 10 o 171.2038 1.805267  293.2763       6.181334  293.8558       8.760157  292.7017       8.723412  0.3366394      3.610535  
1 1 1 7   12 11 o 131.0351 1.402656  171.6981       3.674761  174.4029       5.278197  169.1537       5.119241  2.001419       2.805311  
1 1 1 7   12 12 o 233.0099 2.435828  543.5178       11.34942  549.1589       16.23419  538.1249       15.87292  2.361023       4.871656  
1 1 1 7   12 13 f 189.8146 1.994600  360.5651       7.571085  357.3179       10.60428  363.9414       10.81303  -1.741394      3.989200  
1 1 1 7   12 14 o 184.8416 1.948910  341.6969       7.200272  335.0556       9.972940  348.9280       10.40632  -3.745804      3.897820  
1 1 1 7   12 15 o 169.7860 1.792534  288.4646       6.086729  289.8300       8.651708  287.1264       8.564816  0.7949829      3.585068  
1 1 1 7   12 16 o 40.83002 0.8169725 16.95596       0.6097616 15.97030       1.101278  17.39172       0.7322478 -1.743038      1.633945  
1 1 1 7   12 17 o 122.2733 1.880560  149.3339       4.591388  144.6028       6.281461  154.7614       6.727913  -4.146706      3.761120  
1 1 1 7   12 18 o 38.82323 0.9802091 15.00157       0.7590407 14.06236       1.028439  16.12529       1.124931  -2.655956      1.960418  
1 1 1 7   12 19 f 92.31754 1.284097  84.39561       2.192025  83.02467       2.627619  87.53333       3.975205  -2.425369      2.568194  
1 1 1 7   12 20 o 327.8444 3.417686  1077.187       22.38494  1106.296       32.57911  1051.155       30.80915  8.346161       6.835372  
1 1 1 7   12 21 o 139.7149 1.494447  195.1379       4.172452  200.0581       6.051102  190.6780       5.761056  3.352066       2.988893  
1 1 1 7   12 22 o 72.11685 0.8566883 51.94131       1.234379  53.74668       1.795764  50.32420       1.699557  2.371880       1.713377  
1 1 1 7   12 23 o 125.1548 1.351351  156.1726       3.372756  149.6552       4.565200  164.0051       5.004624  -5.724701      2.702702  
1 1 1 7   12 24 o 69.70784 0.8356591 48.58603       1.164696  49.43115       1.672062  47.78949       1.623278  1.176895       1.671318  
1 1 1 7   12 25 o 108.9373 1.195579  118.5883       2.602029  115.3896       3.580434  122.1685       3.787981  -3.107170      2.391158  
1 1 1 7   12 26 o 114.5993 1.252219  131.4492       2.870057  131.4061       4.052971  131.4926       4.064801  -0.3741455E-01 2.504437  
1 1 1 7   12 27 o 137.0684 1.471759  187.6774       4.026377  195.1434       5.926109  181.2757       5.487469  5.043655       2.943517  
1 1 1 7   12 28 o 89.92406 1.016679  80.63604       1.823604  77.16440       2.472045  84.78076       2.701079  -4.228539      2.033357  
1 1 1 7   12 29 o 73.28894 0.8710185 53.37051       1.270534  57.51489       1.915030  50.11196       1.698081  5.044449       1.742037  
1 1 1 7   12 30 f 49.83924 0.6949636 24.38245       0.6855168 21.65306       0.8943726 28.26957       1.067333  -6.633705      1.389927  
1 1 1 7   12 31 f 51.06019 0.6939809 25.79422       0.7036103 28.50703       1.076723  23.77240       0.9295344 4.632141       1.387962  
1 1 1 7   12 32 o 49.69520 0.7001840 23.95526       0.6844018 20.58827       0.8766238 29.21120       1.095262  -8.668888      1.400368  
1 1 1 7   12 33 o 49.11745 0.6896410 24.13808       0.6773521 24.29309       0.9681886 23.98947       0.9479725 0.3083992      1.379282  
1 1 1 7   12 34 o 105.1956 1.630237  110.6102       3.417706  105.6006       4.605815  116.7486       5.098362  -5.255959      3.260475  
1 1 1 7   12 35 o 39.18363 0.6463886 15.36183       0.5063598 14.77868       0.7114985 15.96031       0.7207936 -1.507465      1.292777  
1 1 1 7   12 36 o 53.70169 0.7262323 28.73731       0.7781823 26.89463       1.058000  30.90912       1.148608  -3.733444      1.452465  
1 1 1 7   12 37 o 21.50404 0.7178553 4.636296       0.3082255 4.381564       0.4393697 4.883131       0.4325048 -1.166559      1.435711  
1 1 1 7   12 38 o 33.23319 0.6585249 11.04407       0.4370720 10.23986       0.6084558 11.90145       0.6282456 -2.498880      1.317050  
1 1 1 7   12 39 o 28.21917 0.6730568 7.977442       0.3796017 7.744778       0.5413421 8.202521       0.5324441 -0.8115654     1.346114  
1 1 1 7   12 40 o 42.22574 0.6839423 17.84760       0.5774426 17.27164       0.8093677 18.44470       0.8240855 -1.388054      1.367885  
1 1 1 7   12 41 o 88.87321 1.489855  79.21315       2.642430  75.14749       3.595093  83.99047       3.897067  -4.927620      2.979710  
1 1 1 7   12 42 o 9.717108 1.709864  1.134739       0.3354188 1.399301       0.3876727 0.3469853      0.6689545 4.172630       3.419729  
1 1 1 7   12 43 f 45.23212 0.8345731 19.87173       0.7196780 18.53046       0.8794076 22.59153       1.252276  -4.450092      1.669146  
1 1 1 7   12 44 o 54.24745 1.015923  29.54255       1.102197  29.30855       1.552388  29.78042       1.565175  -0.4331703     2.031846  
1 1 1 7   12 45 o 10.61485 2.581740  0.000000       0.000000  ?              ?         1.187231       0.5435994 ?              ?         
1 1 1 7   12 46 o 52.29970 0.7595751 27.38630       0.7939949 26.13014       1.102821  28.73820       1.144072  -2.488739      1.519150  
1 1 1 7   12 47 o 67.59549 0.8647819 45.83066       1.168794  44.53606       1.632456  47.19229       1.674183  -1.958710      1.729564  
1 1 1 7   12 48 o 34.66604 0.7155379 12.03579       0.4951527 12.23862       0.7255288 11.85897       0.6774450 0.5415192      1.431076  
1 1 1 7   12 49 o 20.35944 0.8708310 4.166587       0.3532839 4.099008       0.5201768 4.224446       0.4813203 -0.3143063     1.741662  
1 1 1 7   12 50 o 24.43741 0.8320719 5.801585       0.4000526 7.320810       0.6350202 4.801866       0.5151282 5.133976       1.664144  
1 1 1 7   12 51 o 40.27396 0.8546996 15.96973       0.6576407 17.37841       1.129328  15.24692       0.8089530 2.585487       1.709399  
1 1 1 7   12 52 o 22.85999 1.142688  5.146984       0.5163459 4.389186       0.6732616 6.229325       0.8046173 -3.991135      2.285376  
1 1 1 7   12 53 o 10.07203 2.026407  1.037053       0.4273728 0.8189526      0.5618583 1.336485       0.6583349 -2.233296      4.052814  
1 1 1 7   12 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   13 0  o 115.6210 1.252493  133.7007       2.896127  134.6745       4.122509  132.7518       4.069490  0.8311234      2.504986  
1 1 1 7   13 1  o 120.4742 1.304244  145.1251       3.141911  142.7469       4.389282  147.6241       4.499432  -2.023430      2.608488  
1 1 1 7   13 2  o 266.6682 2.780798  711.9159       14.83098  711.0963       20.95066  712.7393       20.99777  -0.3074341     5.561596  
1 1 1 7   13 3  o 212.1111 2.221704  448.3795       9.391619  471.4732       14.00401  429.5033       12.66084  9.877594       4.443408  
1 1 1 7   13 4  o 133.2476 1.427068  177.1621       3.795045  171.2095       5.169846  184.1181       5.588589  -4.840607      2.854136  
1 1 1 7   13 5  o 230.9314 2.415625  533.7659       11.15635  536.6981       15.86944  530.9007       15.68707  1.252716       4.831250  
1 1 1 7   13 6  f 157.0300 1.662977  246.7002       5.222745  246.6689       7.385199  246.7315       7.386955  -0.1989746E-01 3.325954  
1 1 1 7   13 7  o 132.6488 1.732225  176.1707       4.345124  176.4157       5.339181  175.6902       7.477164  0.2968750      3.464451  
1 1 1 7   13 8  o 177.8092 2.642510  316.1263       9.385633  325.4873       13.68712  307.8177       12.89486  4.954330       5.285020  
1 1 1 7   13 9  o 192.3731 2.854122  370.3939       10.97295  363.1118       15.17311  378.3781       15.88774  -3.952820      5.708244  
1 1 1 7   13 10 o 57.41379 0.9711861 32.24351       1.098717  28.99115       1.413661  37.20547       1.746112  -7.151058      1.942372  
1 1 1 7   13 11 o 392.8645 5.080664  1518.122       36.37988  1636.208       68.23188  1471.219       43.00213  19.97809       10.16133  
1 1 1 7   13 12 o 61.06450 0.7477780 37.23952       0.9123285 38.44640       1.327066  36.15794       1.256296  1.873386       1.495556  
1 1 1 7   13 13 o 87.67630 1.214267  77.81346       2.032976  73.73629       3.381058  80.12226       2.544288  -3.649559      2.428534  
1 1 1 7   13 14 o 198.0452 2.952881  392.5179       11.68376  403.1397       16.99683  383.0023       16.08732  5.062195       5.905763  
1 1 1 7   13 15 o 129.7900 1.988409  168.0133       5.146331  176.1871       7.637896  161.2169       6.964632  5.755402       3.976819  
1 1 1 7   13 16 o 112.5484 1.499742  128.4668       3.250937  133.5760       4.125034  120.0917       5.281368  6.006012       2.999484  
1 1 1 7   13 17 o 108.8244 1.189923  117.4830       2.572735  110.4229       3.410497  126.8057       3.919084  -7.521416      2.379847  
1 1 1 7   13 18 o 152.1115 1.619847  231.5470       4.927837  232.6824       6.997672  230.4301       6.940705  0.7393951      3.239694  
1 1 1 7   13 19 o 65.11095 0.7964646 42.09309       1.032306  45.55868       1.554626  39.35988       1.380618  4.758678       1.592929  
1 1 1 7   13 20 f 67.95197 0.8198289 46.08370       1.112543  47.99596       1.628089  44.40850       1.523829  2.638718       1.639658  
1 1 1 7   13 21 o 28.00486 0.6357868 7.683318       0.3516603 9.626481       0.5390473 6.243586       0.4639945 6.039232       1.271574  
1 1 1 7   13 22 o 120.3761 1.306101  144.2550       3.131594  137.2257       4.205779  153.0012       4.691397  -6.543312      2.612201  
1 1 1 7   13 23 o 270.9438 2.833632  736.7131       15.35387  741.7946       21.87942  731.7829       21.55161  1.832672       5.667264  
1 1 1 7   13 24 f 60.81221 0.7674786 36.97299       0.9331137 36.29844       1.298800  37.69260       1.341478  -1.145702      1.534957  
1 1 1 7   13 25 f 104.9495 1.157771  110.2262       2.430037  109.5379       3.416759  110.9307       3.456774  -0.6625671     2.315542  
1 1 1 7   13 26 o 37.88670 0.6453156 13.96467       0.4822036 11.82131       0.6240292 17.14121       0.7596871 -7.018707      1.290631  
1 1 1 7   13 27 f 53.66856 0.7153914 28.80692       0.7677183 29.18305       1.099456  28.44903       1.072482  0.6833076      1.430783  
1 1 1 7   13 28 o 49.06819 0.6899694 23.50493       0.6679996 20.61002       0.8628389 27.83587       1.055366  -7.358742      1.379939  
1 1 1 7   13 29 o 98.85401 1.102653  97.51060       2.174459  93.53209       2.950425  102.2410       3.217157  -4.394699      2.205305  
1 1 1 7   13 30 o 49.90940 0.6935043 24.92201       0.6922128 25.06988       0.9848949 24.77766       0.9730853 0.2924042      1.387009  
1 1 1 7   13 31 o 118.0473 1.287520  139.6443       3.039670  140.0604       4.318441  139.2356       4.279311  0.3470840      2.575040  
1 1 1 7   13 32 o 91.49567 1.035320  83.79896       1.893755  85.13055       2.725512  82.55603       2.633219  1.402252       2.070639  
1 1 1 7   13 33 o 24.95343 0.8110319 6.074898       0.3970250 8.059858       0.6129639 4.640268       0.5211095 6.848021       1.622064  
1 1 1 7   13 34 o 71.16996 0.8589487 50.65001       1.221382  52.00070       1.775945  49.43782       1.682436  1.796005       1.717897  
1 1 1 7   13 35 o 93.17788 1.056374  86.71498       1.963535  90.79752       2.905311  83.28228       2.664062  4.016190       2.112748  
1 1 1 7   13 36 o 96.92854 1.091790  94.15992       2.116185  94.90189       3.024021  93.44787       2.962405  0.7453384      2.183581  
1 1 1 7   13 37 f 6.748611 1.492530  0.4537925      0.2236833 0.4191566      0.3305273 0.4830587      0.3038284 -0.2933092     2.985060  
1 1 1 7   13 38 o 37.18688 0.6652446 13.81772       0.4940797 14.31043       0.7221487 13.38411       0.6774588 1.242958       1.330489  
1 1 1 7   13 39 o 29.15029 1.121339  8.553376       0.6500125 8.247634       0.9623722 8.809869       0.8814606 -0.9730816     2.242677  
1 1 1 7   13 40 o 63.72083 1.025474  41.20954       1.234173  42.24327       1.524395  39.24280       2.102649  2.415394       2.050947  
1 1 1 7   13 41 o 50.62940 0.7306796 25.67270       0.7395585 25.81707       1.062934  25.53724       1.029648  0.2736168      1.461359  
1 1 1 7   13 42 o 29.63957 0.6972389 8.791245       0.4111386 7.614519       0.5696306 10.07085       0.5940109 -4.141584      1.394478  
1 1 1 7   13 43 o 46.31853 0.7158509 21.47995       0.6627191 21.91429       0.9579052 21.08119       0.9178312 0.8954811      1.431702  
1 1 1 7   13 44 o 37.99487 0.7012030 14.46585       0.5327539 14.17297       0.7538463 14.75807       0.7530099 -0.7700500     1.402406  
1 1 1 7   13 45 o 31.35314 1.860819  9.900730       1.166851  9.900730       1.166851  ?              ?         ?              ?         
1 1 1 7   13 46 o 60.99000 1.095725  37.37268       1.335932  38.38809       1.925908  36.43097       1.854690  1.591778       2.191449  
1 1 1 7   13 47 o 32.73020 0.8182141 10.94425       0.5249980 9.471596       0.7908055 12.10477       0.7020179 -4.035158      1.636428  
1 1 1 7   13 48 o 19.92817 0.8874313 3.953907       0.3510933 4.252695       0.5367439 3.730459       0.4641676 1.298683       1.774863  
1 1 1 7   13 49 o 36.35432 0.7912768 13.11729       0.5719655 14.69052       0.8675637 11.90777       0.7606944 3.810543       1.582554  
1 1 1 7   13 50 o 26.38958 0.8997474 7.043872       0.4655501 6.754656       0.7262928 7.245580       0.6065443 -0.9529400     1.799495  
1 1 1 7   13 51 o 17.76409 1.194969  3.151384       0.4203552 3.844808       0.6267564 2.584458       0.5667122 3.531748       2.389938  
1 1 1 7   13 52 o 19.76159 1.594604  0.000000       0.000000  ?              ?         3.938430       0.6302380 ?              ?         
1 1 1 7   13 53 o 38.06110 1.396520  14.58551       1.063061  14.58551       1.063061  ?              ?         ?              ?         
1 1 1 7   13 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   14 0  o 317.4873 3.304701  1009.877       20.98371  1006.915       29.58045  1012.878       29.77137  -0.9352417     6.609402  
1 1 1 7   14 1  o 336.2294 3.499935  1132.676       23.53054  1146.056       33.69881  1119.947       32.87104  3.864410       6.999870  
1 1 1 7   14 2  o 150.2259 1.595505  224.4951       4.771041  238.5220       7.178270  213.3949       6.385617  8.354935       3.191010  
1 1 1 7   14 3  o 220.8868 2.311735  488.3026       10.21078  483.3168       14.27817  493.5213       14.60791  -2.304779      4.623470  
1 1 1 7   14 4  o 101.5794 1.116687  102.3560       2.254090  110.5077       3.430144  96.16038       2.990431  7.058670       2.233374  
1 1 1 7   14 5  f 193.3848 2.031456  374.1029       7.853573  368.1197       10.91382  380.5286       11.31004  -3.202408      4.062912  
1 1 1 7   14 6  o 67.69321 0.8006995 45.59647       1.080258  48.55700       1.611791  43.18205       1.455560  3.969116       1.601399  
1 1 1 7   14 7  o 123.9068 1.332723  153.5441       3.301854  155.5862       4.733176  151.6082       4.608377  1.603943       2.665445  
1 1 1 7   14 8  o 239.6512 2.505152  574.9707       12.00398  582.4181       17.21792  567.9274       16.74435  3.013687       5.010304  
1 1 1 7   14 9  o 106.8753 1.440233  114.3898       2.901001  113.9373       5.024413  114.6162       3.553082  -0.3341675     2.880467  
1 1 1 7   14 10 o 328.1345 4.849369  1082.241       31.82363  1087.676       45.24781  1076.922       44.76686  1.620514       9.698738  
1 1 1 7   14 11 o 70.47218 1.750509  49.68032       2.467244  49.68032       2.467244  ?              ?         ?              ?         
1 1 1 7   14 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   14 13 o 122.5493 1.855811  149.6416       4.532316  157.9465       6.762385  142.8685       6.106938  6.141029       3.711622  
1 1 1 7   14 14 o 211.5781 3.134499  447.4355       13.22977  466.8918       19.56675  431.0503       17.95625  8.423859       6.268997  
1 1 1 7   14 15 o 108.4437 1.434058  118.6345       2.982796  114.1843       4.933204  121.1991       3.744872  -3.250381      2.868116  
1 1 1 7   14 16 o 81.09841 1.028647  64.89017       1.623041  62.10945       2.048796  69.57590       2.659543  -4.596939      2.057294  
1 1 1 7   14 17 f 308.5620 3.218378  955.0638       19.86043  960.2281       28.25259  950.0190       27.92407  1.642914       6.436756  
1 1 1 7   14 18 o 30.16532 0.6274334 9.044407       0.3770035 10.26857       0.5560843 8.003144       0.5128616 3.754717       1.254867  
1 1 1 7   14 19 o 205.7866 2.163086  424.1427       8.902281  426.5463       12.66212  421.7934       12.51856  1.151016       4.326171  
1 1 1 7   14 20 o 76.65543 0.8970988 58.51126       1.370762  55.69235       1.849248  61.94903       2.042180  -4.078644      1.794198  
1 1 1 7   14 21 o 34.86155 0.6346088 12.15096       0.4423752 11.94045       0.6178785 12.37234       0.6336454 -0.6192856     1.269218  
1 1 1 7   14 22 o 165.2226 1.752676  273.3429       5.790982  271.0303       8.116884  275.7405       8.264481  -1.421097      3.505352  
1 1 1 7   14 23 o 110.7448 1.213744  122.5852       2.685635  119.4025       3.699649  126.1306       3.904768  -3.032791      2.427488  
1 1 1 7   14 24 o 164.0291 1.741760  269.2413       5.708180  262.6482       7.862741  276.5883       8.300182  -4.232193      3.483520  
1 1 1 7   14 25 o 25.15489 0.6707004 6.078698       0.3270245 4.312598       0.4220384 8.732514       0.5173444 -8.783821      1.341401  
1 1 1 7   14 26 o 63.01862 0.7862730 39.67292       0.9900253 41.08307       1.439622  38.40763       1.363677  2.120968       1.572546  
1 1 1 7   14 27 f 92.63339 1.043768  85.51149       1.927173  81.50236       2.599024  90.40798       2.872286  -4.797440      2.087536  
1 1 1 7   14 28 f 86.88261 0.9938883 75.25242       1.722098  71.69627       2.330703  79.52808       2.555638  -4.499107      1.987777  
1 1 1 7   14 29 o 46.41388 0.6745896 21.22404       0.6210902 18.95704       0.8175344 24.31843       0.9551408 -5.771652      1.349179  
1 1 1 7   14 30 f 108.2808 1.195931  117.2551       2.586370  113.7105       3.547230  121.2783       3.779134  -3.481850      2.391862  
1 1 1 7   14 31 o 22.06174 0.6971563 4.855656       0.3052041 4.064217       0.4190644 5.749631       0.4453844 -3.818871      1.394313  
1 1 1 7   14 32 o 91.64055 1.038997  83.98592       1.901785  86.55672       2.776057  81.71241       2.610620  2.633911       2.077994  
1 1 1 7   14 33 o 11.90564 0.9903560 1.402205       0.2323532 1.783610       0.3485517 1.097149       0.3117189 2.880880       1.980712  
1 1 1 7   14 34 o 32.37984 0.6386349 10.33288       0.4103956 11.96478       0.6280398 9.116771       0.5421588 4.394215       1.277270  
1 1 1 7   14 35 o 38.47173 0.6549215 14.80111       0.5036639 15.18978       0.7265860 14.44159       0.6988028 0.9711113      1.309843  
1 1 1 7   14 36 o 82.91028 1.051493  68.72182       1.714644  69.91116       2.691009  67.90893       2.224733  1.169952       2.102985  
1 1 1 7   14 37 o 35.03095 1.071226  12.33318       0.7485527 11.39538       1.064551  13.25035       1.052774  -2.648689      2.142451  
1 1 1 7   14 38 o 46.03587 0.9037433 21.84588       0.7826042 23.20306       0.9731744 19.36163       1.316650  4.201035       1.807487  
1 1 1 7   14 39 o 18.47689 0.8140664 3.461135       0.2953854 2.706429       0.4174327 4.218052       0.4180440 -4.090527      1.628133  
1 1 1 7   14 40 o 33.76155 0.6677591 11.34943       0.4494952 12.27204       0.6684609 10.58794       0.6072964 2.489563       1.335518  
1 1 1 7   14 41 o 22.75671 0.7430007 5.231816       0.3342742 4.338865       0.4742025 6.113799       0.4712812 -3.900064      1.486001  
1 1 1 7   14 42 o 16.45947 0.8980033 2.728336       0.2942861 2.464927       0.4201756 2.981966       0.4123028 -1.571579      1.796007  
1 1 1 7   14 43 o 64.80140 0.8336508 42.09130       1.080239  41.08648       1.512450  43.13768       1.543398  -1.579132      1.667302  
1 1 1 7   14 44 o 16.70842 0.9023088 2.753724       0.2984402 3.372957       0.4539213 2.282243       0.3960825 3.256365       1.804618  
1 1 1 7   14 45 o 58.05062 1.217811  33.71874       1.406738  35.86992       2.120959  32.02915       1.879679  3.261707       2.435622  
1 1 1 7   14 46 o 24.60881 0.7607513 6.055262       0.3737249 6.364438       0.5494474 5.789065       0.5098273 1.163748       1.521503  
1 1 1 7   14 47 o 27.02011 0.8593901 7.196832       0.4568642 6.650236       0.5866861 8.038961       0.7282194 -2.548138      1.718780  
1 1 1 7   14 48 o 45.53790 0.9631099 20.54969       0.8707088 23.45887       1.332312  18.38084       1.150364  5.541649       1.926220  
1 1 1 7   14 49 o 45.19767 0.9649415 20.53813       0.8722221 20.55614       1.239708  20.52047       1.227401  0.3703308E-01  1.929883  
1 1 1 7   14 50 o 32.51724 0.9255323 10.62042       0.6015330 10.11186       0.8376205 11.16203       0.8644040 -1.609306      1.851065  
1 1 1 7   14 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   14 52 o 48.68388 1.009195  23.66604       0.9776992 21.85384       1.305178  25.98318       1.475850  -4.197460      2.018391  
1 1 1 7   14 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   15 0  o 122.0642 1.315728  148.8024       3.207599  144.5628       4.399114  153.6151       4.687023  -3.705002      2.631457  
1 1 1 7   15 1  o 98.28049 1.084649  96.59984       2.131735  97.61682       3.043843  95.62086       2.986434  1.014946       2.169298  
1 1 1 7   15 2  o 85.79480 0.9707414 73.62180       1.665652  73.82917       2.365043  73.41770       2.346245  0.2396469      1.941483  
1 1 1 7   15 3  o 261.8788 2.733064  686.9752       14.31463  687.1976       20.25339  686.7531       20.23450  0.8444214E-01  5.466127  
1 1 1 7   15 4  o 115.2624 1.248492  132.6708       2.874009  128.8327       3.940495  137.0329       4.200916  -3.554596      2.496984  
1 1 1 7   15 5  o 212.1957 2.225256  450.7632       9.443716  451.8815       13.38802  449.6556       13.32308  0.5233459      4.450512  
1 1 1 7   15 6  o 312.4905 4.011587  973.4084       23.37161  998.0681       41.61633  962.0479       28.24669  5.351807       8.023173  
1 1 1 7   15 7  o 141.1646 2.149296  199.3560       6.065464  203.4522       8.735552  195.5428       8.428414  2.796326       4.298593  
1 1 1 7   15 8  o 263.9279 3.910046  698.6080       20.62965  686.9307       28.65166  711.1787       29.72755  -4.559875      7.820093  
1 1 1 7   15 9  o 161.1415 2.103819  258.5198       6.327634  256.0277       7.657856  263.8833       11.23434  -2.375000      4.207639  
1 1 1 7   15 10 f 90.30588 1.014422  80.46083       1.812882  74.41658       2.365892  89.05688       2.821458  -8.101883      2.028844  
1 1 1 7   15 11 o 196.8795 2.069272  388.0380       8.147891  388.8515       11.54829  387.2316       11.49759  0.4104309      4.138545  
1 1 1 7   15 12 o 76.38289 0.8882642 57.66932       1.345501  53.40107       1.768851  63.53003       2.072724  -6.627861      1.776528  
1 1 1 7   15 13 o 229.4460 2.401818  527.2503       11.02090  530.9584       15.70340  523.6512       15.47100  1.586884       4.803636  
1 1 1 7   15 14 o 219.0747 4.613951  481.4400       20.21600  481.4400       20.21600  ?              ?         ?              ?         
1 1 1 7   15 15 o 210.4498 3.121552  443.5616       13.12145  432.0887       18.01579  456.5234       19.14909  -5.766785      6.243104  
1 1 1 7   15 16 o 21.39456 0.8049637 4.578275       0.3433487 4.106052       0.4792868 5.076090       0.4921035 -2.266901      1.609927  
1 1 1 7   15 17 o 260.6684 3.856606  682.9611       20.10557  685.0797       28.53185  680.8714       28.33631  0.7980042      7.713212  
1 1 1 7   15 18 o 247.5864 3.181484  613.0596       14.77299  622.0822       25.94277  608.7300       17.97138  2.355484       6.362969  
1 1 1 7   15 19 o 43.00443 0.6617919 18.49779       0.5691810 18.33096       0.8051412 18.66446       0.8047459 -0.3877525     1.323584  
1 1 1 7   15 20 o 266.4050 2.791674  711.7214       14.86384  698.4863       20.56683  726.1927       21.50588  -5.157257      5.583349  
1 1 1 7   15 21 o 93.34871 1.050255  86.61215       1.951136  81.72704       2.607345  92.82928       2.941408  -5.940208      2.100510  
1 1 1 7   15 22 o 133.0990 1.433027  176.9528       3.807284  171.0148       5.193535  183.8512       5.597786  -4.809692      2.866053  
1 1 1 7   15 23 o 197.2940 2.081110  390.0753       8.206395  382.4549       11.36115  398.3887       11.86653  -4.013107      4.162220  
1 1 1 7   15 24 o 131.7610 1.422247  173.5834       3.742696  179.2624       5.469496  168.5827       5.132503  4.039551       2.844494  
1 1 1 7   15 25 f 94.56228 1.063820  89.50880       2.011918  89.13001       2.836238  89.89248       2.854412  -0.4025421     2.127640  
1 1 1 7   15 26 o 110.7476 1.217322  122.2263       2.685836  129.3588       4.017102  116.4603       3.611831  5.806618       2.434645  
1 1 1 7   15 27 o 12.30706 0.9219941 1.513335       0.2265290 1.558512       0.3323354 1.474130       0.3095930 0.3420200      1.843988  
1 1 1 7   15 28 o 33.89372 0.6373665 11.49186       0.4320194 11.67735       0.6152686 11.31146       0.6067556 0.5395355      1.274733  
1 1 1 7   15 29 o 65.02821 0.8140244 42.22445       1.057131  44.11378       1.547251  40.57038       1.447724  2.720741       1.628049  
1 1 1 7   15 30 o 49.35084 0.9205481 24.14402       0.9034155 22.19414       1.201733  26.67811       1.369982  -4.535126      1.841096  
1 1 1 7   15 31 o 38.83617 0.6545496 15.02831       0.5073223 14.00358       0.6916234 16.22188       0.7464313 -2.854031      1.309099  
1 1 1 7   15 32 o 44.02892 0.6823375 19.34448       0.5999281 20.44573       0.8784971 18.38210       0.8212464 2.341236       1.364675  
1 1 1 7   15 33 o 35.76340 0.6490369 12.26880       0.4544827 15.95851       0.7355416 9.990172       0.5780268 8.337349       1.298074  
1 1 1 7   15 34 o 19.30242 1.178557  3.932118       0.3601945 3.416965       0.7865055 4.068839       0.4051825 -1.717724      2.357114  
1 1 1 7   15 35 o 59.41623 1.170653  35.26471       1.388250  32.71679       1.896146  38.20839       2.038096  -4.608360      2.341305  
1 1 1 7   15 36 f 18.28489 0.7819179 3.329969       0.2845433 3.832873       0.4181902 2.896427       0.3882823 2.558722       1.563836  
1 1 1 7   15 37 o 20.62893 0.7353451 4.273444       0.3025000 3.950824       0.4317781 4.584441       0.4239290 -1.536299      1.470690  
1 1 1 7   15 38 o 7.878303 1.413983  0.6113117      0.2386395 1.019270       0.3568282 0.2811960      0.3209849 4.063284       2.827966  
1 1 1 7   15 39 o 19.60562 0.7816044 3.879353       0.3023721 3.131329       0.4251260 4.645180       0.4301557 -3.860327      1.563209  
1 1 1 7   15 40 o 30.16834 0.6937897 9.026551       0.4145812 7.416687       0.5592325 10.99086       0.6177358 -5.918818      1.387579  
1 1 1 7   15 41 o 32.72548 0.6892692 10.69745       0.4504535 11.33450       0.6591783 10.13935       0.6169876 1.822184       1.378538  
1 1 1 7   15 42 o 61.96104 0.8155726 38.41586       1.008947  39.71195       1.479366  37.28871       1.379587  1.944294       1.631145  
1 1 1 7   15 43 f 17.83160 0.8743107 3.158717       0.3100032 3.672235       0.4628891 2.741077       0.4174456 2.605188       1.748621  
1 1 1 7   15 44 o 96.31979 1.109668  93.04873       2.133245  96.67177       3.140004  89.94308       2.907159  3.452766       2.219336  
1 1 1 7   15 45 o 9.460031 1.473928  0.9689324      0.2835800 0.5074198      0.4176444 1.363721       0.3862755 -4.356657      2.947856  
1 1 1 7   15 46 o 52.10840 0.7784505 27.20008       0.8104357 27.97305       1.178860  26.50736       1.115981  1.397713       1.556901  
1 1 1 7   15 47 o 29.72942 0.8287938 8.909691       0.4838787 8.660373       0.7541592 9.084144       0.6308488 -0.7320461     1.657588  
1 1 1 7   15 48 o 28.07320 0.9208907 7.928148       0.5164440 7.614325       0.7377903 8.229643       0.7231537 -1.098623      1.841781  
1 1 1 7   15 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   15 50 o 13.80700 1.420712  1.936823       0.3905384 1.729029       0.5527858 2.143896       0.5518249 -1.502688      2.841425  
1 1 1 7   15 51 o 45.72319 0.9821188 20.95588       0.8959693 19.69712       1.217041  22.44532       1.323874  -2.979015      1.964238  
1 1 1 7   15 52 o 32.08643 0.9489438 10.33437       0.6082056 10.90796       0.8870046 9.825379       0.8355637 1.675026       1.897888  
1 1 1 7   16 0  o 169.4023 1.790133  286.9499       6.061021  281.3845       8.390404  293.0234       8.765019  -3.430038      3.580267  
1 1 1 7   16 1  o 93.17142 1.037771  86.82880       1.933798  87.11831       2.741121  86.54195       2.728530  0.3091965      2.075542  
1 1 1 7   16 2  o 132.7562 1.742673  177.4873       4.401840  172.6734       7.430894  180.0897       5.463604  -2.820038      3.485345  
1 1 1 7   16 3  f 206.8715 3.081140  428.7745       12.74503  423.8171       17.79591  433.9946       18.26149  -2.448227      6.162280  
1 1 1 7   16 4  o 181.4334 2.717884  329.5863       9.857987  335.1487       14.19460  324.4040       13.70109  2.949875       5.435768  
1 1 1 7   16 5  o 202.9051 3.026517  412.4603       12.27802  406.5648       17.10659  418.7240       17.63284  -2.982605      6.053033  
1 1 1 7   16 6  f 251.6691 3.212547  638.8964       15.40206  648.0703       19.14448  622.0640       25.93250  5.356583       6.425095  
1 1 1 7   16 7  o 212.7066 2.231655  452.9228       9.492134  448.2718       13.27754  457.7848       13.57522  -2.230194      4.463310  
1 1 1 7   16 8  o 157.0082 1.666964  246.6936       5.234536  247.0089       7.408958  246.3793       7.396560  0.2003174      3.333928  
1 1 1 7   16 9  o 153.6780 1.633335  235.3292       5.002250  225.1533       6.741630  247.7944       7.461519  -7.355270      3.266670  
1 1 1 7   16 10 o 184.8261 1.947591  341.9645       7.199239  341.1475       10.15367  342.7906       10.20908  -0.4434357     3.895183  
1 1 1 7   16 11 o 271.0732 2.830981  736.4923       15.34739  732.7441       21.58456  740.3250       21.82643  -1.391235      5.661961  
1 1 1 7   16 12 f 85.14415 1.404812  72.53876       2.392217  72.51055       3.376997  72.56718       3.389247  -0.3306580E-01 2.809625  
1 1 1 7   16 13 o 87.68558 0.9926696 75.92632       1.724307  83.90450       2.670660  70.22304       2.258026  7.796844       1.985339  
1 1 1 7   16 14 o 87.24086 0.9893507 75.90327       1.722244  72.93742       2.341355  79.39997       2.542272  -3.701523      1.978701  
1 1 1 7   16 15 o 87.91832 0.9965904 77.30719       1.752090  76.45002       2.451400  78.20235       2.505133  -0.9958878     1.993181  
1 1 1 7   16 16 o 339.7342 3.546120  1159.817       24.09219  1150.732       33.77816  1169.224       34.37262  -2.691895      7.092239  
1 1 1 7   16 17 o 92.77829 1.045190  86.11642       1.939378  86.56659       2.753551  85.67329       2.731966  0.4810715      2.090380  
1 1 1 7   16 18 f 235.4098 3.019086  558.8917       13.49879  564.2251       16.70281  548.8487       22.92040  3.568649       6.038172  
1 1 1 7   16 19 o 171.4512 2.560120  294.9391       8.778526  296.0884       12.46406  293.8078       12.36594  0.6605377      5.120240  
1 1 1 7   16 20 o 65.48615 1.092255  42.12899       1.412229  47.78462       2.223916  38.30724       1.828136  7.227020       2.184509  
1 1 1 7   16 21 f 67.93773 1.124319  46.07189       1.524917  48.15974       2.240055  44.26871       2.081753  2.859543       2.248639  
1 1 1 7   16 22 o 145.1295 1.889024  212.2069       5.225121  207.7663       8.801519  214.6236       6.493132  -2.475113      3.778048  
1 1 1 7   16 23 f 76.69014 0.9027599 58.79379       1.383629  57.35107       1.912512  60.37815       2.004198  -1.971062      1.805520  
1 1 1 7   16 24 o 112.5952 1.235631  126.9577       2.782499  127.2805       3.944972  126.6382       3.925198  0.2844315      2.471263  
1 1 1 7   16 25 o 121.4217 1.322397  147.5323       3.208607  151.3522       4.655048  144.0749       4.428719  2.986084       2.644793  
1 1 1 7   16 26 f 51.59483 0.7166269 26.57931       0.7386410 25.41726       1.015607  27.88421       1.076218  -2.388885      1.433254  
1 1 1 7   16 27 o 13.46856 0.8941426 1.822345       0.2384364 1.506282       0.3331329 2.154327       0.3414197 -2.405441      1.788285  
1 1 1 7   16 28 o 58.56916 0.7705297 34.27498       0.9016201 35.51077       1.312691  33.17131       1.240533  1.994507       1.541059  
1 1 1 7   16 29 o 39.20850 0.7880207 15.39865       0.6139529 15.28406       0.9203437 15.49053       0.8241240 -0.2672424     1.576041  
1 1 1 7   16 30 o 87.69807 1.009555  77.00395       1.770249  78.14856       2.539190  75.92149       2.469292  1.265877       2.019109  
1 1 1 7   16 31 f 25.45970 0.6696861 6.476327       0.3405387 6.971376       0.4916521 6.019813       0.4721299 1.867987       1.339372  
1 1 1 7   16 32 f 85.91892 1.453222  73.75920       2.488369  78.35806       3.713422  70.01113       3.352379  4.821152       2.906445  
1 1 1 7   16 33 o 39.14381 1.087351  15.09692       0.8412018 12.24569       1.117657  18.82260       1.277600  -8.388798      2.174701  
1 1 1 7   16 34 o 78.03195 0.9278500 60.98249       1.447389  61.82150       2.083773  60.20033       2.011951  1.033470       1.855700  
1 1 1 7   16 35 o 32.35944 0.6580858 10.48872       0.4254800 10.32408       0.6127862 10.64197       0.5912317 -0.4924088     1.316172  
1 1 1 7   16 36 o 49.42520 0.7147288 24.29465       0.7039899 22.40388       0.9486136 26.61259       1.050321  -4.250561      1.429458  
1 1 1 7   16 37 o 28.58195 0.6885831 8.179552       0.3933451 8.212636       0.5675229 8.148968       0.5456684 0.1098022      1.377166  
1 1 1 7   16 38 o 61.51469 0.8013257 37.71679       0.9829564 35.33091       1.329248  40.59585       1.460180  -4.267651      1.602651  
1 1 1 7   16 39 o 8.775107 1.398668  0.8222007      0.2455894 0.5613011      0.3715290 1.024671       0.3272932 -2.649306      2.797336  
1 1 1 7   16 40 o 72.40410 0.8906953 52.56554       1.289380  53.09178       1.850888  52.06938       1.797212  0.6997147      1.781391  
1 1 1 7   16 41 o 27.62688 0.7021869 7.632651       0.3855399 6.513980       0.5319339 8.870662       0.5595883 -4.262547      1.404374  
1 1 1 7   16 42 o 17.07795 0.8876820 2.958222       0.2998306 2.558754       0.4356475 3.317731       0.4132847 -2.224966      1.775364  
1 1 1 7   16 43 o 55.95944 0.7831891 31.37930       0.8762102 30.24063       1.223515  32.57809       1.255396  -2.084675      1.566378  
1 1 1 7   16 44 o 6.402763 1.563051  0.2398821      0.2685293 0.7003401      0.4189908 -0.8108658E-01 0.3498168 3.656890       3.126102  
1 1 1 7   16 45 o 60.20734 0.8267267 36.31182       0.9946396 34.50633       1.375754  38.28902       1.439689  -3.132046      1.653453  
1 1 1 7   16 46 o 58.44503 0.9961790 34.47286       1.157139  32.98000       1.713526  35.72437       1.568905  -2.374886      1.992358  
1 1 1 7   16 47 o 27.47935 1.200313  7.743104       0.6006716 7.290984       1.090409  7.940073       0.7197186 -1.267399      2.400626  
1 1 1 7   16 48 o 46.80719 1.987527  22.18272       1.860611  22.18272       1.860611  ?              ?         ?              ?         
1 1 1 7   16 49 o 44.24402 0.9552581 19.68996       0.8452173 19.58246       1.201163  19.79539       1.189557  -0.2431183     1.910516  
1 1 1 7   16 50 f 42.01195 0.9517612 17.74685       0.7993792 18.30489       1.150280  17.22562       1.111692  1.275452       1.903522  
1 1 1 7   16 51 o 29.86106 0.9448013 8.956048       0.5637614 9.407447       0.8173342 8.546385       0.7786311 1.432861       1.889603  
1 1 1 7   17 0  o 226.0176 3.360171  512.3020       15.18874  510.3347       21.38609  514.3043       21.57540  -0.8724060     6.720342  
1 1 1 7   17 1  o 142.9429 2.171791  203.9038       6.192732  213.5225       9.164192  195.8202       8.401163  6.176956       4.343581  
1 1 1 7   17 2  o 115.5127 1.790622  133.5292       4.136496  134.6662       5.893205  132.4249       5.807511  0.9687500      3.581245  
1 1 1 7   17 3  o 62.81092 1.138192  39.12498       1.422290  42.78656       2.150659  36.27877       1.896142  5.177761       2.276383  
1 1 1 7   17 4  o 182.9627 2.505555  334.0166       8.925396  340.9474       14.44282  329.7343       11.35268  2.991364       5.011110  
1 1 1 7   17 5  o 86.17625 1.136905  73.99748       1.954106  78.11806       2.897062  70.55781       2.646896  4.383751       2.273809  
1 1 1 7   17 6  o 42.40392 0.8939043 18.07204       0.7378168 17.59916       1.180724  18.37499       0.9450504 -0.9168968     1.787809  
1 1 1 7   17 7  o 122.2083 1.887184  148.9096       4.598103  156.7128       6.836916  142.4654       6.213146  5.816986       3.774367  
1 1 1 7   17 8  o 195.7532 2.926942  383.9449       11.45318  377.2563       15.89270  391.1721       16.52000  -3.534882      5.853885  
1 1 1 7   17 9  o 156.8193 2.372386  246.3453       7.440580  247.4274       10.56149  245.2790       10.48407  0.6829834      4.744771  
1 1 1 7   17 10 o 91.62629 1.030055  83.07761       1.871923  77.41937       2.463228  90.81228       2.879949  -7.303589      2.060110  
1 1 1 7   17 11 o 11.62714 0.9531351 1.353589       0.2168416 1.751692       0.3172457 1.004516       0.2970685 3.212848       1.906270  
1 1 1 7   17 12 o 135.3864 1.454902  183.3402       3.937865  186.4790       5.667263  180.4100       5.475642  2.237869       2.909803  
1 1 1 7   17 13 o 106.7130 1.178407  113.5353       2.508313  119.2395       3.715090  108.7566       3.400351  4.906639       2.356813  
1 1 1 7   17 14 f 88.99533 1.010057  78.77300       1.790374  84.18660       2.684418  74.43547       2.402858  5.474182       2.020115  
1 1 1 7   17 15 o 201.7236 2.123616  406.7041       8.548929  422.8819       12.59847  392.8977       11.63853  7.399506       4.247232  
1 1 1 7   17 16 o 78.49448 0.9163857 61.54483       1.436863  59.85933       1.974152  63.44357       2.095320  -2.281258      1.832771  
1 1 1 7   17 17 o 67.29114 0.8188982 45.29293       1.102033  45.71355       1.568463  44.88282       1.548744  0.6169662      1.637796  
1 1 1 7   17 18 o 127.7732 1.384280  163.4432       3.537373  164.3622       5.025988  162.5411       4.979537  0.7112503      2.768559  
1 1 1 7   17 19 o 107.0630 1.180764  113.8589       2.513242  122.4521       3.813476  107.2608       3.341606  7.081497       2.361527  
1 1 1 7   17 20 o 76.26861 0.8978793 58.18282       1.369268  59.11617       1.962977  57.29829       1.910946  1.190536       1.795759  
1 1 1 7   17 21 o 109.1110 1.456324  119.5661       3.021582  120.2435       3.739378  118.2918       5.128957  0.9541626      2.912648  
1 1 1 7   17 22 f 28.98936 0.7769146 8.398270       0.4498055 7.787663       0.6252499 9.053268       0.6475798 -2.182306      1.553829  
1 1 1 7   17 23 o 132.7873 2.011317  176.8454       5.337113  172.8920       7.369713  181.2054       7.739493  -3.104568      4.022635  
1 1 1 7   17 24 o 104.1560 1.609931  108.7366       3.352037  110.7809       4.832202  106.8405       4.653821  1.880135       3.219862  
1 1 1 7   17 25 o 135.7247 1.786977  184.6653       4.576250  185.8203       7.924952  184.0876       5.605215  0.4562988      3.573954  
1 1 1 7   17 26 o 13.96880 0.9811124 2.037529       0.2505575 1.082369       0.3468530 3.079876       0.3623378 -7.149241      1.962225  
1 1 1 7   17 27 o 34.92052 0.8049431 12.20558       0.5621285 11.98381       0.7930574 12.42951       0.7968959 -0.6380157     1.609886  
1 1 1 7   17 28 o 42.27888 0.6791413 17.81418       0.5730692 19.33900       0.8410413 16.49271       0.7829571 3.363976       1.358283  
1 1 1 7   17 29 o 69.23399 0.9299597 47.49614       1.258063  50.30176       2.031857  45.75182       1.602103  3.263443       1.859919  
1 1 1 7   17 30 o 25.70641 1.272814  6.609004       0.6511142 7.584812       0.9470878 5.734436       0.8966133 3.594986       2.545627  
1 1 1 7   17 31 o 84.50111 1.227215  72.42442       1.965402  74.24017       2.436296  69.04057       3.325903  3.152008       2.454431  
1 1 1 7   17 32 o 66.96660 0.8446234 44.90760       1.131188  44.51084       1.591395  45.31279       1.608220  -0.5977402     1.689247  
1 1 1 7   17 33 o 94.36446 1.077608  89.10638       2.030653  92.41879       2.972770  86.20875       2.780425  3.273438       2.155215  
1 1 1 7   17 34 o 32.96395 0.6638345 10.82825       0.4365251 11.58913       0.6462815 10.18990       0.5919675 2.119160       1.327669  
1 1 1 7   17 35 o 54.76907 0.7498916 29.56310       0.8130513 33.42727       1.264879  26.84236       1.061365  5.996178       1.499783  
1 1 1 7   17 36 o 52.30388 0.7443854 27.40089       0.7785975 26.83652       1.097002  27.97379       1.105251  -1.086521      1.488771  
1 1 1 7   17 37 o 14.09651 1.000322  2.055248       0.2729170 1.534388       0.3992496 2.512116       0.3739202 -3.470775      2.000645  
1 1 1 7   17 38 o 91.33604 1.054810  83.74831       1.926802  83.50788       2.731486  83.98643       2.718380  -0.2636719     2.109620  
1 1 1 7   17 39 o 56.31235 0.7742050 31.77657       0.8718035 30.97716       1.224553  32.59821       1.241453  -1.437584      1.548410  
1 1 1 7   17 40 o 24.57748 0.7349288 6.056248       0.3567394 4.851836       0.4923921 7.386929       0.5175598 -5.154831      1.469858  
1 1 1 7   17 41 o 20.84645 0.7992195 4.315225       0.3315789 4.827312       0.4992987 3.911211       0.4434928 2.190741       1.598439  
1 1 1 7   17 42 o 84.38911 1.003410  71.11252       1.687169  66.93414       2.268972  76.27999       2.523271  -5.497688      2.006820  
1 1 1 7   17 43 o 42.36921 0.7201310 17.99957       0.6101391 17.83288       0.8677087 18.16259       0.8581055 -0.3902969     1.440262  
1 1 1 7   17 44 o 11.11577 2.449297  1.173824       0.6045705 1.753499       0.9668941 0.8017096      0.7746852 3.462783       4.898594  
1 1 1 7   17 45 o 33.50831 0.8636477 11.11289       0.5732375 12.41625       0.8887908 10.18455       0.7501014 3.307520       1.727295  
1 1 1 7   17 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   17 47 o 47.31069 0.9716320 22.33966       0.9152577 24.42318       1.376234  20.68738       1.225567  3.915478       1.943264  
1 1 1 7   17 48 o 67.62077 1.182898  46.02369       1.597118  44.38082       2.183682  47.91333       2.341945  -2.570175      2.365796  
1 1 1 7   17 49 o 22.15168 1.008028  4.953583       0.4453976 4.605975       0.6360445 5.288049       0.6239056 -1.542519      2.016055  
1 1 1 7   17 50 o 31.69391 0.9340369 10.09711       0.5917062 10.60273       0.8494875 9.620605       0.8246625 1.543715       1.868074  
1 1 1 7   18 0  o 96.71443 1.076437  93.43970       2.080014  96.31336       3.025562  90.86435       2.864232  2.815247       2.152874  
1 1 1 7   18 1  o 72.82576 0.8592283 53.04688       1.251459  52.91721       1.764008  53.17827       1.775711  -0.1791229     1.718457  
1 1 1 7   18 2  o 57.64064 0.7387121 32.59810       0.8413243 29.37183       1.091252  37.32609       1.321032  -6.898041      1.477424  
1 1 1 7   18 3  o 112.9812 1.234093  127.7036       2.788474  127.3090       3.923320  128.1064       3.963989  -0.3523483     2.468186  
1 1 1 7   18 4  o 138.0554 1.480800  190.7225       4.088603  190.5141       5.767352  190.9330       5.797080  -0.1512299     2.961600  
1 1 1 7   18 5  o 102.0205 1.129582  104.0429       2.303266  102.0395       3.188308  106.2296       3.330997  -2.051720      2.259164  
1 1 1 7   18 6  o 100.0867 1.113078  99.82068       2.221657  105.2104       3.297185  95.33895       3.006668  4.927696       2.226155  
1 1 1 7   18 7  o 119.8787 1.301953  143.2419       3.112165  150.6025       4.622101  137.1372       4.209332  5.609810       2.603906  
1 1 1 7   18 8  o 207.7566 2.183322  432.2860       9.070775  428.6279       12.70467  436.0896       12.95502  -1.789017      4.366644  
1 1 1 7   18 9  o 154.0173 1.639827  236.8640       5.040759  228.8958       6.868758  246.1641       7.420601  -5.594040      3.279653  
1 1 1 7   18 10 o 81.07320 0.9346994 65.69840       1.514777  67.33974       2.186170  64.18274       2.100815  1.945869       1.869399  
1 1 1 7   18 11 o 47.32626 0.6817255 21.98734       0.6390467 25.68198       0.9898093 19.34650       0.8368278 6.691807       1.363451  
1 1 1 7   18 12 o 107.3309 1.180935  115.2390       2.534446  113.8111       3.539264  116.7419       3.630992  -1.363556      2.361871  
1 1 1 7   18 13 o 65.34917 0.8036626 42.64483       1.049327  44.36013       1.526229  41.10715       1.445044  2.487831       1.607325  
1 1 1 7   18 14 o 105.8252 1.167130  112.0249       2.469500  113.7785       3.545014  110.3716       3.442063  1.607521       2.334259  
1 1 1 7   18 15 o 114.7988 1.253437  131.9079       2.877848  131.6958       4.062357  132.1216       4.077470  -0.1850967     2.506874  
1 1 1 7   18 16 o 126.7315 1.370810  160.1131       3.462439  153.0643       4.668749  168.7283       5.161504  -6.164825      2.741619  
1 1 1 7   18 17 o 158.1246 1.683932  250.4975       5.325027  248.7499       7.476054  252.2971       7.586612  -1.117126      3.367865  
1 1 1 7   18 18 o 58.67018 0.7573246 34.11274       0.8833244 31.61542       1.173358  37.37938       1.341971  -4.908707      1.514649  
1 1 1 7   18 19 o 72.09841 0.8680217 51.98804       1.251190  51.05344       1.740694  52.98703       1.799681  -1.339371      1.736043  
1 1 1 7   18 20 o 77.78269 0.9126265 60.36908       1.416722  57.94040       1.928769  63.21465       2.087756  -3.385559      1.825253  
1 1 1 7   18 21 o 71.46574 0.8589458 50.95158       1.225011  48.84068       1.666657  53.43198       1.806653  -3.208069      1.717892  
1 1 1 7   18 22 o 135.1733 1.458254  183.1505       3.942315  182.7680       5.563245  183.5364       5.587383  -0.2828064     2.916508  
1 1 1 7   18 23 o 43.92373 0.6734642 19.30206       0.5915923 19.54495       0.8411385 19.06431       0.8322088 0.5468712      1.346928  
1 1 1 7   18 24 o 15.67569 0.8342159 2.477403       0.2564168 1.886082       0.3568305 3.108777       0.3687177 -3.899525      1.668432  
1 1 1 7   18 25 o 25.40717 0.7399945 6.132435       0.3651669 5.141116       0.4548571 7.929753       0.6124641 -5.482140      1.479989  
1 1 1 7   18 26 o 57.32718 1.008570  32.87215       1.155339  31.97240       1.593491  33.86933       1.677539  -1.649994      2.017140  
1 1 1 7   18 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   18 28 o 50.94972 2.386332  0.000000       0.000000  ?              ?         26.08397       2.431659  ?              ?         
1 1 1 7   18 29 o 78.20833 0.9317966 60.90407       1.451596  57.42990       1.949035  65.23163       2.175283  -4.973320      1.863593  
1 1 1 7   18 30 o 102.3487 1.149917  104.9837       2.353042  106.5957       3.381274  103.4700       3.276601  1.518532       2.299834  
1 1 1 7   18 31 o 75.92744 0.9162770 57.73601       1.391045  58.57600       1.995077  56.94133       1.940526  1.072594       1.832554  
1 1 1 7   18 32 o 88.83965 1.028330  78.99152       1.824813  81.64980       2.663014  76.63834       2.505531  2.806839       2.056660  
1 1 1 7   18 33 o 85.47549 1.001183  73.24989       1.711486  73.63992       2.431236  72.86671       2.409721  0.4503098      2.002366  
1 1 1 7   18 34 o 64.57619 0.8327934 41.47914       1.070677  44.97848       1.610914  38.71011       1.432989  4.838150       1.665587  
1 1 1 7   18 35 o 35.99215 0.6759999 12.94309       0.4857705 13.44833       0.7127767 12.50491       0.6638014 1.307037       1.352000  
1 1 1 7   18 36 f 24.85531 0.7199864 6.193485       0.3545229 5.118307       0.4914872 7.359721       0.5118764 -4.507231      1.439973  
1 1 1 7   18 37 f 93.68810 1.081629  88.11926       2.026449  86.78275       2.838033  89.50944       2.894462  -1.447495      2.163257  
1 1 1 7   18 38 o 54.58714 0.7677880 29.85672       0.8378115 30.10140       1.206082  29.62855       1.164691  0.4288406      1.535576  
1 1 1 7   18 39 o 35.29001 0.6989752 12.46833       0.4930803 12.76233       0.7114425 12.19657       0.6840079 0.7989159      1.397950  
1 1 1 7   18 40 o 19.10645 0.8275913 3.670180       0.3153221 3.377057       0.4487147 3.956145       0.4432021 -1.516090      1.655183  
1 1 1 7   18 41 o 66.79842 0.8582683 44.73168       1.146150  43.45247       1.593812  46.10170       1.649420  -1.975456      1.716537  
1 1 1 7   18 42 o 10.12933 1.417711  1.060231       0.2758067 1.204498       0.4160614 0.9471385      0.3683764 1.243687       2.835423  
1 1 1 7   18 43 o 55.42391 0.8424192 30.93070       0.9278196 29.82238       1.378607  31.84834       1.254435  -1.846165      1.684838  
1 1 1 7   18 44 f 30.37610 3.019013  0.000000       0.000000  ?              ?         9.452177       1.834117  ?              ?         
1 1 1 7   18 45 o 52.28629 1.008977  27.49489       1.055091  27.67971       1.498021  27.31296       1.486296  0.3483505      2.017954  
1 1 1 7   18 46 o 32.36671 0.9037771 10.42845       0.5822035 11.81008       0.8733662 9.323430       0.7810644 3.822756       1.807554  
1 1 1 7   18 47 o 69.94909 1.207260  49.26069       1.686149  47.41417       2.305354  51.38480       2.472569  -2.793137      2.414520  
1 1 1 7   18 48 o 41.00187 0.9342380 16.84799       0.7645892 15.86434       1.042399  17.99347       1.124892  -2.577702      1.868476  
1 1 1 7   18 49 o 43.45967 0.9490489 18.99744       0.8247322 18.55337       1.152766  19.46308       1.180421  -1.040176      1.898098  
1 1 1 7   18 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   19 0  f 93.92064 1.054141  88.11414       1.977767  85.71609       2.718507  90.81056       2.882676  -2.709976      2.108281  
1 1 1 7   19 1  f 90.78528 1.029990  81.25877       1.850138  90.44080       2.883051  74.82997       2.412390  8.591614       2.059979  
1 1 1 7   19 2  o 75.73912 0.8877153 57.35628       1.344275  56.46484       1.872905  58.30348       1.930590  -1.213142      1.775431  
1 1 1 7   19 3  f 181.7147 1.918993  330.6077       6.973342  333.5435       9.954849  327.7791       9.771301  1.581467       3.837986  
1 1 1 7   19 4  o 164.0208 1.740402  269.3306       5.709033  270.7971       8.116203  267.8943       8.032037  0.8828888      3.480805  
1 1 1 7   19 5  o 37.80104 0.6436865 14.18658       0.4846431 16.06404       0.7189254 12.62271       0.6561465 4.551323       1.287373  
1 1 1 7   19 6  f 90.19254 1.019174  81.38104       1.838378  81.17561       2.587987  81.59029       2.611896  -0.2295151     2.038349  
1 1 1 7   19 7  f 63.51746 0.7890496 40.27151       1.001192  42.11637       1.459736  38.63274       1.375790  2.741230       1.578099  
1 1 1 7   19 8  o 141.2586 1.514688  199.4900       4.274453  194.6412       5.880939  204.9202       6.223582  -3.630035      3.029377  
1 1 1 7   19 9  o 116.3328 1.268013  135.4350       2.950228  135.4212       4.169082  135.4489       4.175430  -0.1177979E-01 2.536026  
1 1 1 7   19 10 o 108.6765 1.193718  118.0318       2.591937  121.5265       3.769814  114.8985       3.569490  3.045235       2.387435  
1 1 1 7   19 11 o 33.60258 0.6255007 11.29630       0.4202259 11.40777       0.5884225 11.18026       0.6003347 0.3386803      1.251001  
1 1 1 7   19 12 f 216.3440 2.275501  468.5891       9.829559  454.7004       13.44691  484.5265       14.40465  -6.847214      4.551002  
1 1 1 7   19 13 o 124.8042 1.351698  155.7601       3.370716  152.0245       4.646290  159.9106       4.897446  -3.151711      2.703396  
1 1 1 7   19 14 o 122.7476 1.332379  150.8451       3.270799  150.1754       4.601532  151.5289       4.650065  -0.5497894     2.664759  
1 1 1 7   19 15 o 131.7918 1.422663  173.9491       3.749826  173.3994       5.282611  174.5072       5.323737  -0.4187317     2.845326  
1 1 1 7   19 16 o 62.88326 0.7894222 39.55818       0.9927561 40.01310       1.414420  39.11645       1.393747  0.7124672      1.578844  
1 1 1 7   19 17 o 53.14670 0.7174861 28.09925       0.7599983 26.41421       1.023975  30.16598       1.134032  -3.527100      1.434972  
1 1 1 7   19 18 o 66.55873 0.8239527 44.32562       1.096776  44.73951       1.559989  43.92105       1.542314  0.6143494      1.647905  
1 1 1 7   19 19 o 151.7836 1.623880  230.2180       4.915794  240.9750       7.285991  221.2298       6.660064  6.468063       3.247761  
1 1 1 7   19 20 o 82.63783 0.9566799 68.21949       1.578642  65.97847       2.160118  70.78843       2.312763  -2.904305      1.913360  
1 1 1 7   19 21 o 70.94913 0.8608623 50.30341       1.220227  52.07950       1.776806  48.71807       1.678692  2.365150       1.721725  
1 1 1 7   19 22 o 104.1623 1.159961  108.4975       2.413200  105.2376       3.310217  112.1953       3.525507  -3.328285      2.319923  
1 1 1 7   19 23 o 110.3096 1.218799  121.9111       2.688530  123.1842       3.841092  120.6884       3.764379  1.126656       2.437598  
1 1 1 7   19 24 o 27.31404 0.9609929 7.606743       0.4522125 7.202568       0.8987330 7.743760       0.5232794 -1.008844      1.921986  
1 1 1 7   19 25 o 31.93862 1.139787  10.22937       0.7270003 10.38889       1.005960  10.05497       1.051841  0.5256138      2.279573  
1 1 1 7   19 26 o 87.36156 1.268164  75.31505       2.027639  73.59239       2.407865  79.51453       3.759501  -3.290840      2.536328  
1 1 1 7   19 27 o 50.65662 0.7253910 25.65274       0.7343395 26.52209       1.064667  24.86386       1.014196  1.634296       1.450782  
1 1 1 7   19 28 o 38.11079 0.7660688 14.22204       0.5638673 13.38747       0.7017176 15.74301       0.9473051 -3.077198      1.532138  
1 1 1 7   19 29 o 23.32159 0.8296141 5.445405       0.3868818 5.600391       0.5515050 5.295237       0.5428643 0.6537037      1.659228  
1 1 1 7   19 30 f 15.44564 1.041425  2.439666       0.3122267 1.768740       0.4419979 3.107912       0.4411140 -4.335186      2.082851  
1 1 1 7   19 31 o 44.78666 0.8973807 20.06066       0.8030223 21.01082       1.167257  19.20689       1.106470  2.009109       1.794761  
1 1 1 7   19 32 f 47.20744 0.8288416 22.45499       0.7638052 21.72857       1.210426  22.93563       0.9845830 -1.296795      1.657683  
1 1 1 7   19 33 o 157.8623 1.703969  251.3358       5.379591  249.8771       7.563400  252.8295       7.653176  -0.9190674     3.407939  
1 1 1 7   19 34 o 39.92112 0.7106619 15.96290       0.5673479 16.01257       0.7972487 15.91195       0.8075529 0.1268311      1.421324  
1 1 1 7   19 35 o 44.92994 0.7072642 20.18937       0.6348003 20.85168       0.9252981 19.60047       0.8725119 1.387928       1.414528  
1 1 1 7   19 36 o 27.61887 0.7032759 7.653746       0.3876377 7.088206       0.5489463 8.216230       0.5474616 -2.042261      1.406552  
1 1 1 7   19 37 o 43.91640 0.7094538 19.32521       0.6229540 18.73549       0.8786964 19.92113       0.8833014 -1.349438      1.418908  
1 1 1 7   19 38 o 55.21511 0.7767926 30.50524       0.8570192 29.15392       1.182249  32.00173       1.244134  -2.571976      1.553585  
1 1 1 7   19 39 o 25.40213 0.7422591 6.462952       0.3769546 6.633758       0.5423282 6.303302       0.5243165 0.6484814      1.484518  
1 1 1 7   19 40 o 79.43422 0.9619837 63.36439       1.528251  62.76136       2.154217  63.97537       2.168398  -0.7619400     1.923967  
1 1 1 7   19 41 o 28.21697 0.7392491 7.986639       0.4169884 7.863918       0.5961233 8.104218       0.5835005 -0.4274483     1.478498  
1 1 1 7   19 42 o 52.49845 2.630075  0.000000       0.000000  ?              ?         28.04064       2.761497  ?              ?         
1 1 1 7   19 43 o 26.50484 2.334892  0.000000       0.000000  ?              ?         7.129009       1.237719  ?              ?         
1 1 1 7   19 44 o 5.894183 1.654536  0.1769872      0.2982213 -0.6028800E-01 0.4762823 0.3300036      0.3824786 -0.8771367     3.309072  
1 1 1 7   19 45 o 39.62627 0.9100550 15.78199       0.7210466 15.89522       1.033333  15.67453       1.006620  0.2730293      1.820110  
1 1 1 7   19 46 o 39.28033 0.9209182 15.44046       0.7217789 16.68606       1.064868  14.38183       0.9816961 2.915859       1.841836  
1 1 1 7   19 47 o 32.06456 0.9044337 10.32348       0.5795503 10.85343       0.8380748 9.837792       0.8023102 1.575851       1.808867  
1 1 1 7   19 48 o 54.67789 1.040195  30.12023       1.137481  30.05164       1.601814  30.19002       1.615556  -0.1230431     2.080390  
1 1 1 7   19 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   20 0  f 57.99434 0.7511113 33.27423       0.8648464 30.76458       1.142066  36.64817       1.324201  -5.070358      1.502223  
1 1 1 7   20 1  o 70.49303 0.8501190 49.63137       1.197472  51.54646       1.739174  47.90511       1.651211  2.581566       1.700238  
1 1 1 7   20 2  o 67.76945 0.8239014 45.83925       1.114927  44.23020       1.525327  47.68515       1.633738  -2.547577      1.647803  
1 1 1 7   20 3  o 49.39835 0.6890786 24.40257       0.6806632 24.16712       0.9518727 24.64894       0.9737049 -0.4874268     1.378157  
1 1 1 7   20 4  o 66.29695 0.8115712 43.96649       1.076075  44.32918       1.524285  43.60615       1.519328  0.5452271      1.623142  
1 1 1 7   20 5  o 88.52991 1.006241  78.28098       1.779486  81.05235       2.595501  75.82285       2.444435  2.950790       2.012483  
1 1 1 7   20 6  o 55.33323 0.7327507 30.48891       0.8083192 29.00181       1.091422  32.29554       1.202974  -2.974709      1.465501  
1 1 1 7   20 7  o 83.58147 0.9634118 69.39182       1.602005  74.67622       2.420715  65.27395       2.136894  5.619041       1.926824  
1 1 1 7   20 8  o 158.9374 1.691573  253.0443       5.376966  254.1735       7.634719  251.9329       7.574000  0.7026520      3.383145  
1 1 1 7   20 9  o 146.3687 1.566312  214.2247       4.579038  221.0077       6.686762  208.2352       6.283509  4.348877       3.132624  
1 1 1 7   20 10 o 96.54382 1.079992  93.27969       2.085324  93.23732       2.944980  93.32228       2.953223  -0.4378510E-01 2.159984  
1 1 1 7   20 11 o 82.84544 0.9545613 68.23965       1.574367  73.13019       2.368172  64.36637       2.107534  5.282974       1.909123  
1 1 1 7   20 12 o 148.1628 1.586208  219.8604       4.698824  223.3442       6.749285  216.5836       6.545674  2.272598       3.172416  
1 1 1 7   20 13 o 71.73757 0.8603819 50.77610       1.222422  46.65121       1.598948  56.57843       1.896394  -6.911438      1.720764  
1 1 1 7   20 14 o 127.4717 1.380626  162.7532       3.519491  164.1635       5.018734  161.3885       4.936899  1.084854       2.761253  
1 1 1 7   20 15 o 99.31654 1.109746  98.70982       2.203615  100.3918       3.165424  97.12823       3.069552  1.639427       2.219492  
1 1 1 7   20 16 o 107.8070 1.189911  115.6408       2.552588  109.4580       3.409343  123.5276       3.850611  -6.507004      2.379821  
1 1 1 7   20 17 o 110.1121 1.214237  121.4424       2.674031  121.3618       3.775326  121.5235       3.788008  -0.7283020E-01 2.428474  
1 1 1 7   20 18 o 86.90137 0.9960704 75.60303       1.731077  76.19046       2.465845  75.03220       2.430756  0.6649094      1.992141  
1 1 1 7   20 19 o 20.35824 0.7137963 4.143772       0.2904587 4.244552       0.4196935 4.051130       0.4023937 0.4744892      1.427593  
1 1 1 7   20 20 o 44.99422 0.6832375 19.69433       0.6056631 17.00908       0.7793374 23.78939       0.9624185 -7.528751      1.366475  
1 1 1 7   20 21 o 116.6965 1.582447  138.1400       3.523101  131.6147       5.877736  141.7990       4.401393  -4.478378      3.164893  
1 1 1 7   20 22 o 93.11066 1.540460  86.85245       2.865063  84.13320       3.933946  89.92389       4.180947  -3.089409      3.080919  
1 1 1 7   20 23 o 53.24515 0.9636970 27.04911       0.9006361 25.70791       1.035675  31.20972       1.824128  -5.125408      1.927394  
1 1 1 7   20 24 f 42.61461 0.6865124 18.09890       0.5838754 19.45145       0.8595966 16.94035       0.7955650 2.943726       1.373025  
1 1 1 7   20 25 o 36.27719 0.6639903 13.08649       0.4801873 11.90866       0.6504533 14.49724       0.7118698 -3.565079      1.327981  
1 1 1 7   20 26 o 53.93486 0.7428442 29.11119       0.8011213 28.65192       1.118446  29.59508       1.148048  -0.8728065     1.485688  
1 1 1 7   20 27 o 36.86938 0.6748345 13.60531       0.4975996 13.49446       0.7004800 13.71822       0.7069893 -0.3031235     1.349669  
1 1 1 7   20 28 o 50.16744 0.7302455 25.16691       0.7322126 26.11451       1.058861  24.29854       1.013630  1.807243       1.460491  
1 1 1 7   20 29 o 39.39570 0.6881386 15.51934       0.5418286 15.02953       0.7496409 16.05513       0.7840387 -1.299629      1.376277  
1 1 1 7   20 30 o 62.05183 0.8107265 38.30866       1.001917  41.43565       1.503586  35.81133       1.343704  4.519661       1.621453  
1 1 1 7   20 31 o 70.28360 0.8806071 49.51033       1.237838  49.53061       1.747796  49.48992       1.753351  0.2944946E-01  1.761214  
1 1 1 7   20 32 o 59.55725 0.9397627 34.54014       1.051686  32.72086       1.268922  38.53166       1.879551  -4.817078      1.879525  
1 1 1 7   20 33 f 25.05953 0.8430952 6.228005       0.4199831 7.261422       0.6289465 5.396389       0.5642055 3.714899       1.686190  
1 1 1 7   20 34 f 14.62776 1.064426  2.129844       0.3045205 2.816540       0.4543819 1.569930       0.4102983 4.255373       2.128853  
1 1 1 7   20 35 o 57.79541 0.9281297 33.22973       1.031009  34.52182       1.729415  32.51731       1.284162  1.679386       1.856259  
1 1 1 7   20 36 o 33.87083 0.6977431 11.47748       0.4719341 11.77686       0.6901965 11.21460       0.6467510 0.8258476      1.395486  
1 1 1 7   20 37 o 20.46980 0.8136564 4.246691       0.3267823 3.280635       0.4594634 5.235591       0.4648638 -4.774593      1.627313  
1 1 1 7   20 38 o 59.36752 0.8093026 35.26250       0.9589764 36.55464       1.410772  34.15259       1.307503  2.010445       1.618605  
1 1 1 7   20 39 o 31.19248 0.7252865 9.737899       0.4505107 8.540764       0.6232446 11.04790       0.6519620 -4.015301      1.450573  
1 1 1 7   20 40 o 52.02931 1.641107  26.85255       1.490132  28.63953       2.986196  26.26004       1.719519  1.929726       3.282215  
1 1 1 7   20 41 o 62.77346 1.038860  39.23174       1.280401  41.61812       2.038365  37.67647       1.645565  3.066124       2.077720  
1 1 1 7   20 42 o 55.16637 1.027469  30.60655       1.133509  30.32069       1.588757  30.90291       1.617683  -0.5218773     2.054939  
1 1 1 7   20 43 o 56.80725 1.055839  32.17273       1.193011  35.44954       1.806543  29.63850       1.588714  5.067638       2.111678  
1 1 1 7   20 44 f 22.06726 0.9870974 4.924447       0.4330783 4.606740       0.6347778 5.201104       0.5923513 -1.355999      1.974195  
1 1 1 7   20 45 o 55.95689 1.045753  31.37262       1.166621  33.50182       1.736595  29.62140       1.574929  3.428944       2.091506  
1 1 1 7   20 46 o 32.20959 0.8926306 10.40353       0.5740603 10.92771       0.8422440 9.948755       0.7845145 1.506903       1.785261  
1 1 1 7   20 47 f 62.54689 1.123976  39.45620       1.405913  39.96014       2.003535  38.96735       1.973331  0.7853508      2.247952  
1 1 1 7   21 0  o 136.2613 1.466461  185.9139       3.996335  185.2797       5.628173  186.5588       5.675466  -0.4678497     2.932921  
1 1 1 7   21 1  o 88.93604 1.012740  78.23413       1.785251  72.77084       2.343310  85.79155       2.756065  -7.310974      2.025480  
1 1 1 7   21 2  f 210.3128 2.214734  443.6891       9.315563  445.4566       13.22324  441.9475       13.12569  0.8293610      4.429467  
1 1 1 7   21 3  o 124.6529 1.352424  154.4139       3.351601  165.7937       5.084451  145.6693       4.457037  8.052658       2.704848  
1 1 1 7   21 4  o 109.0166 1.199838  118.8731       2.614665  121.5362       3.772878  116.4121       3.626832  2.346016       2.399676  
1 1 1 7   21 5  o 140.0091 1.503572  196.0540       4.205344  190.9479       5.781813  201.7895       6.127762  -3.859055      3.007144  
1 1 1 7   21 6  o 74.09448 0.8800036 54.72910       1.300456  52.38462       1.761605  57.53700       1.927864  -3.473167      1.760007  
1 1 1 7   21 7  o 248.3485 2.607999  619.7034       12.94911  629.1420       18.61617  610.8560       18.02381  3.639908       5.215998  
1 1 1 7   21 8  o 62.72022 0.7865772 39.30477       0.9859616 40.78380       1.428055  37.95754       1.362943  2.251598       1.573154  
1 1 1 7   21 9  o 199.5551 2.106958  399.7440       8.409043  400.4660       11.91423  399.0274       11.87026  0.3576355      4.213915  
1 1 1 7   21 10 o 56.33228 0.7421849 31.42919       0.8309205 29.02468       1.102123  34.59592       1.264801  -4.941082      1.484370  
1 1 1 7   21 11 o 106.9114 1.181969  114.4471       2.527225  114.0181       3.556226  114.8847       3.592118  -0.4038849     2.363938  
1 1 1 7   21 12 o 77.94582 0.9140690 60.47306       1.419217  57.33178       1.906254  64.37959       2.125800  -4.514114      1.828138  
1 1 1 7   21 13 o 181.2406 1.921085  329.7146       6.963571  329.9219       9.850574  329.5076       9.845379  0.1139374      3.842170  
1 1 1 7   21 14 o 109.6568 1.209130  120.3379       2.650069  123.2491       3.832233  117.6700       3.668642  2.536057       2.418260  
1 1 1 7   21 15 o 142.8390 1.536380  204.0609       4.379146  196.8161       5.957278  212.5780       6.459227  -5.483932      3.072760  
1 1 1 7   21 16 o 117.7304 1.288368  138.8931       3.033537  139.5403       4.307109  138.2560       4.273230  0.5434570      2.576735  
1 1 1 7   21 17 o 84.18773 0.9720444 70.57417       1.629894  66.94778       2.187846  75.09681       2.443288  -4.828262      1.944089  
1 1 1 7   21 18 o 81.78317 1.196396  67.07639       1.826375  66.85110       3.222829  67.18298       2.216678  -0.2606277     2.392792  
1 1 1 7   21 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   21 20 o 66.38422 1.056899  43.50635       1.278573  42.62740       1.514445  45.68742       2.385638  -2.256035      2.113797  
1 1 1 7   21 21 o 75.86253 0.9066853 57.29319       1.369953  54.18854       1.838502  61.16907       2.054207  -4.589874      1.813371  
1 1 1 7   21 22 o 28.18478 0.6628802 7.939438       0.3732581 7.436725       0.5185742 8.479872       0.5376773 -1.849789      1.325760  
1 1 1 7   21 23 o 97.62721 1.103004  95.50446       2.153224  94.25534       3.008440  96.81640       3.083173  -1.306099      2.206007  
1 1 1 7   21 24 o 51.16632 0.7265797 25.84917       0.7378337 29.20879       1.132149  23.36874       0.9727950 5.698803       1.453159  
1 1 1 7   21 25 o 61.85496 0.8015109 38.30099       0.9913936 37.78517       1.387117  38.83963       1.417460  -0.8506126     1.603022  
1 1 1 7   21 26 o 49.02077 0.7254214 23.51911       0.7027271 27.84665       1.101464  20.54850       0.9125833 7.432903       1.450843  
1 1 1 7   21 27 o 58.17486 0.7792147 33.87752       0.9064029 34.64826       1.298785  33.14571       1.265556  1.289196       1.558429  
1 1 1 7   21 28 o 88.35808 1.026882  78.26818       1.814291  79.23680       2.597786  77.34584       2.534957  1.064049       2.053763  
1 1 1 7   21 29 f 53.69997 0.7621894 28.81286       0.8173794 30.21828       1.196456  27.58288       1.119296  2.447777       1.524379  
1 1 1 7   21 30 o 76.39378 0.9255786 58.27456       1.410315  55.48518       1.910450  61.61510       2.090687  -3.994385      1.851157  
1 1 1 7   21 31 o 63.52817 0.8322203 40.37127       1.056134  38.93642       1.451007  41.98790       1.540177  -2.393280      1.664441  
1 1 1 7   21 32 o 23.02778 0.7493702 5.310281       0.3450377 5.446561       0.4946123 5.181098       0.4815634 0.5752125      1.498740  
1 1 1 7   21 33 o 68.69866 0.8739964 47.26481       1.199733  45.93614       1.653882  48.74050       1.742980  -2.030914      1.747993  
1 1 1 7   21 34 o 60.98595 0.8264580 37.26376       1.007643  38.24082       1.450313  36.35199       1.401009  1.543049       1.652916  
1 1 1 7   21 35 o 40.36649 0.8027305 16.48382       0.6392410 17.38321       0.8514436 15.32199       0.9677258 2.566254       1.605461  
1 1 1 7   21 36 o 36.19891 0.8561770 13.13168       0.6195763 13.59959       0.8917629 12.69504       0.8614497 1.245609       1.712354  
1 1 1 7   21 37 o 9.584610 2.134512  0.000000       0.000000  ?              ?         0.9644365      0.3985311 ?              ?         
1 1 1 7   21 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   21 39 o 47.41808 0.8583567 22.47934       0.8119348 23.76848       1.202083  21.39779       1.101055  2.484467       1.716713  
1 1 1 7   21 40 o 68.05217 1.166906  46.58732       1.587047  48.01176       2.298847  45.29022       2.193690  1.976898       2.333811  
1 1 1 7   21 41 o 40.09705 0.9074785 16.14697       0.7276061 15.88984       1.016931  16.41667       1.041490  -0.6525154     1.814957  
1 1 1 7   21 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   21 43 f 17.34693 1.108294  3.024515       0.3822342 3.101232       0.5757015 2.964035       0.5111579 0.3796806      2.216588  
1 1 1 7   21 44 o 43.87735 0.9411523 19.27141       0.8239351 20.89081       1.215342  17.89409       1.120829  3.394379       1.882305  
1 1 1 7   21 45 o 40.28395 0.9355056 16.27921       0.7521075 15.60518       1.023750  17.06960       1.108590  -1.797638      1.871011  
1 1 1 7   21 46 o 58.74937 1.081919  34.78049       1.270920  34.19183       1.773146  35.40245       1.822580  -1.017239      2.163838  
1 1 1 7   22 0  o 55.75739 0.7401124 31.05618       0.8244359 30.15013       1.134243  32.07104       1.200427  -1.721119      1.480225  
1 1 1 7   22 1  o 164.7468 1.752984  272.0964       5.775401  269.9968       8.099761  274.2679       8.237275  -1.288986      3.505969  
1 1 1 7   22 2  o 167.9387 1.786445  281.4909       5.976610  297.2076       8.940449  268.7930       8.036100  8.409882       3.572891  
1 1 1 7   22 3  o 146.8949 1.574600  216.2250       4.625378  214.2593       6.477373  218.2702       6.607101  -1.358765      3.149199  
1 1 1 7   22 4  o 81.50461 0.9466912 65.88983       1.533456  71.66230       2.333355  61.50132       2.034503  6.224190       1.893382  
1 1 1 7   22 5  o 153.3728 1.639343  235.3459       5.020074  228.1210       6.863959  243.6551       7.360985  -5.037216      3.278685  
1 1 1 7   22 6  o 97.55802 1.095972  95.28449       2.138415  95.44307       3.023275  95.12574       3.025075  0.1627045      2.191945  
1 1 1 7   22 7  f 56.74125 0.7434354 32.17177       0.8427834 31.36938       1.160392  33.06757       1.226070  -1.494759      1.486871  
1 1 1 7   22 8  o 109.8444 1.210172  120.8336       2.658610  120.9387       3.758203  120.7283       3.761483  0.9592438E-01  2.420345  
1 1 1 7   22 9  o 88.31448 1.009932  78.05811       1.783360  77.25783       2.488637  78.90287       2.556850  -0.9287949     2.019864  
1 1 1 7   22 10 o 25.80704 0.6502149 6.669881       0.3352424 6.859098       0.4678585 6.470212       0.4806071 0.7537804      1.300430  
1 1 1 7   22 11 o 83.30557 0.9641724 68.95502       1.597985  74.45061       2.415071  64.67530       2.131234  5.855339       1.928345  
1 1 1 7   22 12 o 65.04306 0.8088931 42.19360       1.050107  44.64762       1.546784  40.09554       1.430209  3.495064       1.617786  
1 1 1 7   22 13 o 84.81575 0.9792297 71.80261       1.657468  75.30597       2.444049  68.81937       2.255335  3.815506       1.958459  
1 1 1 7   22 14 o 34.99013 0.6442420 11.94779       0.4452211 10.03477       0.5802795 14.68567       0.6941993 -6.642569      1.288484  
1 1 1 7   22 15 o 68.21623 1.248254  46.63663       1.702962  46.77385       2.400305  46.49755       2.416481  0.2035141      2.496507  
1 1 1 7   22 16 o 106.9944 1.722919  114.2875       3.669818  108.2536       4.913176  121.9020       5.519366  -6.323990      3.445837  
1 1 1 7   22 17 o 33.19609 0.9604557 11.23661       0.5399664 11.42048       0.6196364 10.65633       1.100783  1.174622       1.920911  
1 1 1 7   22 18 o 46.05631 0.6925592 20.98885       0.6343000 23.76230       0.9595138 18.83606       0.8453620 5.343704       1.385118  
1 1 1 7   22 19 f 127.1848 1.387070  162.1619       3.526350  159.1247       4.890618  165.4509       5.089341  -2.470978      2.774139  
1 1 1 7   22 20 o 99.22651 1.117789  98.48379       2.214957  102.1487       3.241688  95.27453       3.033509  3.448975       2.235577  
1 1 1 7   22 21 o 43.21428 0.6824764 18.58429       0.5880165 17.32479       0.7943672 20.11096       0.8745680 -3.219841      1.364953  
1 1 1 7   22 22 o 44.17020 0.6939037 19.52063       0.6128601 19.14375       0.8557587 19.91744       0.8781033 -0.8747292     1.387807  
1 1 1 7   22 23 f 18.95492 0.7833161 3.584509       0.2955798 4.101742       0.4312744 3.126339       0.4059041 2.571478       1.566632  
1 1 1 7   22 24 o 27.02303 0.6938744 7.308211       0.3749511 7.164889       0.5247554 7.457708       0.5359436 -0.5411606     1.387749  
1 1 1 7   22 25 o 96.20117 1.095053  92.58008       2.102922  96.53204       3.091331  89.17602       2.869055  3.802246       2.190107  
1 1 1 7   22 26 f 71.54890 0.8804734 51.29352       1.259864  50.92422       1.770072  51.67269       1.793594  -0.5211029     1.760947  
1 1 1 7   22 27 o 78.75819 0.9446800 62.15866       1.487500  63.29521       2.138455  61.09323       2.070476  1.391350       1.889360  
1 1 1 7   22 28 o 44.77039 0.7161116 20.04247       0.6406696 21.15219       0.9263899 19.02516       0.8869815 2.372498       1.432223  
1 1 1 7   22 29 o 41.68422 0.7093517 17.36926       0.5907807 16.59500       0.8139658 18.23118       0.8588175 -1.959023      1.418703  
1 1 1 7   22 30 o 29.77957 0.7138029 8.868453       0.4247276 8.542210       0.5852100 9.231566       0.6173924 -1.154678      1.427606  
1 1 1 7   22 31 o 53.92348 0.7741671 29.06114       0.8336747 30.64265       1.220173  27.67646       1.141721  2.742577       1.548334  
1 1 1 7   22 32 o 5.771971 1.539799  0.2292322      0.2491913 0.7965943E-01  0.3648941 0.3599534      0.3411250 -1.091261      3.079599  
1 1 1 7   22 33 o 34.33600 0.7241442 11.76812       0.4961754 11.14310       0.6747024 12.50423       0.7322170 -1.976299      1.448288  
1 1 1 7   22 34 o 69.46077 0.8890136 48.39199       1.234796  47.74804       1.725835  49.06735       1.767437  -0.9442749     1.778027  
1 1 1 7   22 35 o 41.20616 1.052829  17.04839       0.7610303 17.08445       1.492463  17.03572       0.8846881 -0.3475571E-01 2.105658  
1 1 1 7   22 36 o 29.81771 1.147148  7.984921       0.5454060 7.428267       0.6004103 10.61224       1.304405  -5.204775      2.294297  
1 1 1 7   22 37 f 34.28029 0.7670431 11.79109       0.5244081 11.85772       0.7163794 11.71417       0.7697428 0.2165794      1.534086  
1 1 1 7   22 38 o 16.19224 1.054644  2.652340       0.3394783 2.412936       0.4918955 2.870073       0.4691047 -1.415868      2.109288  
1 1 1 7   22 39 o 22.86811 0.9325032 5.211025       0.4206149 4.106352       0.5689391 6.542556       0.6246325 -5.316757      1.865006  
1 1 1 7   22 40 o 16.74411 1.084720  2.838894       0.3610478 2.604340       0.5252889 3.048930       0.4970758 -1.333708      2.169441  
1 1 1 7   22 41 o 26.90301 0.8935116 7.259962       0.4802618 7.711724       0.6959863 6.849316       0.6635588 1.596354       1.787023  
1 1 1 7   22 42 o 27.51133 0.8942933 7.598447       0.4917726 7.851144       0.7105296 7.366090       0.6813318 0.8757648      1.788587  
1 1 1 7   22 43 o 35.02918 0.8874103 12.31926       0.6213078 12.85131       0.8973432 11.82933       0.8611007 1.451153       1.774821  
1 1 1 7   22 44 o 7.246147 1.711009  0.4775509      0.3145012 0.1230835      0.4706089 0.7636166      0.4227708 -2.564749      3.422018  
1 1 1 7   22 45 o 38.67508 1.311079  0.000000       0.000000  ?              ?         15.04820       1.014122  ?              ?         
1 1 1 7   23 0  f 49.24276 0.9274850 24.26067       0.9132431 24.73716       1.308105  23.80761       1.275551  0.9427414      1.854970  
1 1 1 7   23 1  o 69.23203 1.154706  47.58055       1.588823  44.49150       2.108522  51.63877       2.416755  -5.148483      2.309412  
1 1 1 7   23 2  f 92.10178 1.268984  84.61713       2.208627  86.07015       3.824032  83.88981       2.705508  1.129662       2.537968  
1 1 1 7   23 3  o 104.2166 1.160303  108.3339       2.410835  114.1352       3.585323  103.5460       3.257128  5.065216       2.320607  
1 1 1 7   23 4  o 171.3672 1.823657  294.4118       6.243089  286.9643       8.585767  302.7676       9.094285  -4.572495      3.647314  
1 1 1 7   23 5  o 63.55300 0.7981346 40.21145       1.011275  43.04624       1.505126  37.87861       1.365381  4.060810       1.596269  
1 1 1 7   23 6  o 83.36037 0.9643990 69.29840       1.603061  66.26204       2.168279  72.95892       2.380727  -4.007797      1.928798  
1 1 1 7   23 7  o 56.86079 0.7489553 32.23765       0.8500692 34.30322       1.250433  30.46277       1.159113  3.373989       1.497911  
1 1 1 7   23 8  o 91.67211 1.041391  83.46014       1.897888  90.33788       2.881679  78.19153       2.522147  6.607864       2.082782  
1 1 1 7   23 9  o 48.38312 0.6961930 23.41594       0.6734938 23.09466       0.9392557 23.75594       0.9662458 -0.6825104     1.392386  
1 1 1 7   23 10 o 77.56985 0.9180867 60.07963       1.421533  57.83152       1.938305  62.69610       2.091079  -3.128922      1.836173  
1 1 1 7   23 11 o 87.88591 1.256128  78.02425       2.088673  75.48869       3.561695  79.35326       2.578601  -2.258629      2.512256  
1 1 1 7   23 12 o 99.46077 1.620659  99.30030       3.223748  99.53630       4.578736  99.06830       4.539652  0.2320251      3.241319  
1 1 1 7   23 13 o 26.39439 1.573455  6.950048       0.7707216 6.879544       0.9281436 7.106646       1.383250  -0.3927631     3.146910  
1 1 1 7   23 14 o 64.69516 0.8732947 41.97596       1.122859  42.57999       1.511776  41.23273       1.676965  1.049057       1.746589  
1 1 1 7   23 15 o 92.48893 1.055265  85.11447       1.941902  80.36469       2.591933  91.19203       2.931915  -5.833267      2.110530  
1 1 1 7   23 16 o 51.69481 0.7229276 26.65649       0.7456985 25.48950       1.013410  28.03444       1.101206  -2.457760      1.445855  
1 1 1 7   23 17 o 72.13290 0.8796134 51.32753       1.255840  47.02938       1.638928  57.44028       1.954509  -7.198654      1.759227  
1 1 1 7   23 18 f 125.6892 1.371894  158.4849       3.447299  155.9685       4.795332  161.1763       4.959233  -2.056114      2.743788  
1 1 1 7   23 19 o 87.13841 1.009515  75.92532       1.756702  73.34167       2.405532  78.87772       2.571463  -3.164848      2.019031  
1 1 1 7   23 20 f 61.50719 0.7972605 37.82167       0.9797787 36.60920       1.349476  39.17332       1.424825  -2.080070      1.594521  
1 1 1 7   23 21 o 122.4012 1.342960  150.4145       3.287410  149.5090       4.619521  151.3436       4.679253  -0.7430954     2.685921  
1 1 1 7   23 22 o 54.77015 0.7567767 29.79086       0.8246794 27.71638       1.099944  32.45394       1.246257  -4.315670      1.513553  
1 1 1 7   23 23 o 79.56767 0.9457782 63.40785       1.504275  62.15689       2.086797  64.76106       2.170399  -1.629433      1.891556  
1 1 1 7   23 24 o 50.37803 0.7312208 25.40228       0.7365375 26.06443       1.056839  24.77695       1.027043  1.275711       1.462442  
1 1 1 7   23 25 o 24.97447 0.7174158 6.252189       0.3580222 6.452449       0.5015922 6.044196       0.5111837 0.8180542      1.434832  
1 1 1 7   23 26 o 72.20664 0.8900979 51.74204       1.276844  48.00364       1.690875  56.70232       1.947697  -5.999146      1.780196  
1 1 1 7   23 27 o 10.57206 1.291179  1.141920       0.2667712 1.125997       0.3864057 1.156421       0.3687558 -0.3127670     2.582359  
1 1 1 7   23 28 f 28.60792 0.7202370 8.181145       0.4108104 9.130786       0.5950598 7.316387       0.5678427 3.168802       1.440474  
1 1 1 7   23 29 o 29.12160 0.7055060 8.496917       0.4108612 8.617333       0.5797835 8.375446       0.5823158 0.4155331      1.411012  
1 1 1 7   23 30 o 58.04992 0.7973565 33.77712       0.9256746 34.29979       1.314705  33.26326       1.303569  0.8915901      1.594713  
1 1 1 7   23 31 o 56.12474 0.7920538 31.43764       0.8869913 33.71005       1.309905  29.51337       1.205393  3.727310       1.584108  
1 1 1 7   23 32 o 51.20164 0.7668598 26.27943       0.7852883 26.30291       1.111701  26.25604       1.109434  0.4551315E-01  1.533720  
1 1 1 7   23 33 f 15.78712 2.256337  2.655587       0.7143049 4.283615       1.033010  1.163932       0.9887988 9.547715       4.512674  
1 1 1 7   23 34 o 31.02447 0.7412193 9.649334       0.4598330 9.904510       0.6528965 9.398174       0.6477382 0.8154011      1.482439  
1 1 1 7   23 35 o 12.80586 1.166188  1.657475       0.2972594 1.567593       0.4346501 1.736456       0.4074439 -0.6648731     2.332376  
1 1 1 7   23 36 o 34.87486 0.7732316 12.17162       0.5373911 11.89322       0.7262011 12.50862       0.7989719 -0.8723488     1.546463  
1 1 1 7   23 37 f 29.67574 0.8485058 8.771143       0.5015793 8.044146       0.6740701 9.673063       0.7507973 -2.732424      1.697012  
1 1 1 7   23 38 o 48.15063 0.9560194 23.23246       0.9188334 22.21803       1.252174  24.41590       1.352468  -2.263233      1.912039  
1 1 1 7   23 39 o 9.394659 1.672999  0.9203694      0.3135552 1.060286       0.4719795 0.8098319      0.4195112 1.240219       3.345998  
1 1 1 7   23 40 f 18.37906 1.035780  3.377255       0.3792304 3.817924       0.5613855 3.007371       0.5143248 2.194305       2.071559  
1 1 1 7   23 41 o 23.13125 1.057678  5.225986       0.4813812 4.484607       0.6172536 6.376876       0.7690603 -4.053692      2.115356  
1 1 1 7   23 42 o 48.29889 0.9732317 23.48019       0.9400815 23.76976       1.335392  23.19569       1.323637  0.5914650      1.946463  
1 1 1 7   23 43 f 10.92590 1.623634  1.260444       0.3424724 1.244177       0.5057337 1.274221       0.4654310 -0.1727371     3.247269  
1 1 1 7   23 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   24 0  o 107.9624 1.195058  116.5807       2.577111  120.4939       3.761592  113.1191       3.537858  3.403023       2.390116  
1 1 1 7   24 1  o 50.33686 0.7064351 25.31268       0.7103764 24.52253       0.9765243 26.20081       1.035298  -1.665108      1.412870  
1 1 1 7   24 2  o 41.80453 0.6701877 17.11615       0.5533864 15.21985       0.7169571 19.91088       0.8703787 -5.605816      1.340375  
1 1 1 7   24 3  o 103.9696 1.414647  107.1433       2.741258  105.0224       3.305668  111.8130       4.905063  -3.158836      2.829293  
1 1 1 7   24 4  f 30.38026 0.8204624 9.116854       0.4949891 10.72691       0.7476740 7.860540       0.6604524 4.714001       1.640925  
1 1 1 7   24 5  f 121.0446 1.856341  146.4182       4.474369  139.1026       5.999661  155.5856       6.716223  -6.742523      3.712682  
1 1 1 7   24 6  o 46.98566 0.9061662 22.10198       0.8514777 22.46291       1.207658  21.74519       1.200714  0.7634506      1.812332  
1 1 1 7   24 7  o 37.23250 0.9526153 0.000000       0.000000  ?              ?         13.87186       0.7093650 ?              ?         
1 1 1 7   24 8  f 56.45447 1.149251  31.84152       1.295251  30.45259       1.767773  33.45148       1.903242  -2.647751      2.298503  
1 1 1 7   24 9  o 144.4278 2.229916  210.0669       6.438419  213.8044       9.271502  206.5859       8.947725  2.459991       4.459831  
1 1 1 7   24 10 o 47.96168 1.284514  23.03271       1.232149  23.03271       1.232149  ?              ?         ?              ?         
1 1 1 7   24 11 o 15.79933 0.8332440 2.503258       0.2625468 2.725507       0.3717988 2.282204       0.3707976 1.402871       1.666488  
1 1 1 7   24 12 f 87.34815 1.008119  76.30334       1.758909  74.13139       2.415221  78.75613       2.566623  -2.638306      2.016239  
1 1 1 7   24 13 o 99.88568 1.123407  99.99480       2.244239  100.2714       3.178024  99.71966       3.169659  0.2755966      2.246814  
1 1 1 7   24 14 f 74.28466 0.8952022 55.04209       1.326011  52.53286       1.793131  58.07019       1.969825  -3.716385      1.790404  
1 1 1 7   24 15 o 129.4866 1.411037  168.3080       3.653807  169.8140       5.214042  166.8549       5.121723  1.133453       2.822075  
1 1 1 7   24 16 o 100.5194 1.132220  100.3946       2.260474  94.10084       2.992187  108.7621       3.450074  -7.256393      2.264440  
1 1 1 7   24 17 f 72.57253 0.8840500 52.70242       1.282224  51.50651       1.772989  54.01375       1.856576  -1.722008      1.768100  
1 1 1 7   24 18 o 110.4229 1.227476  122.3430       2.710819  122.1552       3.828143  122.5319       3.839237  -0.1695175     2.454952  
1 1 1 7   24 19 o 104.6792 1.174851  109.9273       2.459532  109.2949       3.458020  110.5749       3.498948  -0.6073837     2.349702  
1 1 1 7   24 20 o 24.05185 0.7236621 5.680189       0.3410404 7.559056       0.5198181 4.260273       0.4518919 6.853411       1.447324  
1 1 1 7   24 21 o 27.63746 0.6952913 7.552519       0.3812586 9.035907       0.5732402 6.375836       0.5105506 4.808359       1.390583  
1 1 1 7   24 22 o 47.64454 0.7181050 22.70360       0.6838219 23.72685       0.9877366 21.76173       0.9476489 2.059341       1.436210  
1 1 1 7   24 23 o 60.67987 0.8050054 36.73699       0.9746851 39.20927       1.439497  34.64394       1.324499  3.752106       1.610011  
1 1 1 7   24 24 o 14.02230 0.9647184 1.973202       0.2703056 1.934453       0.3882982 2.009635       0.3765138 -0.2693138     1.929437  
1 1 1 7   24 25 o 16.49092 0.8770128 2.725893       0.2892320 2.763335       0.4121354 2.689556       0.4060050 0.2230759      1.754026  
1 1 1 7   24 26 o 44.96296 0.7265933 20.24455       0.6532151 19.88603       0.9107755 20.62431       0.9373696 -0.8186302     1.453187  
1 1 1 7   24 27 o 51.71726 0.7598090 26.66016       0.7836621 28.79041       1.162778  24.88730       1.060765  3.763477       1.519618  
1 1 1 7   24 28 o 74.01216 0.9159830 54.89393       1.354900  56.47668       1.962130  53.45142       1.873197  2.032753       1.831966  
1 1 1 7   24 29 o 60.66560 0.8153137 36.73228       0.9865682 39.16330       1.462351  34.70152       1.336556  3.663197       1.630627  
1 1 1 7   24 30 o 32.25620 1.360910  10.47870       0.8760487 9.566692       1.222155  11.44251       1.256394  -2.900930      2.721820  
1 1 1 7   24 31 o 29.72655 1.181584  8.502297       0.6476606 7.945822       0.7669420 9.885652       1.209223  -3.185804      2.363167  
1 1 1 7   24 32 f 47.47965 0.7549355 22.59804       0.7167665 22.39442       1.003049  22.81051       1.024617  -0.4355431     1.509871  
1 1 1 7   24 33 o 47.12184 0.7570791 22.26596       0.7134575 22.60686       1.013395  21.93093       1.004625  0.7160645      1.514158  
1 1 1 7   24 34 o 23.40489 0.8208792 5.499052       0.3838970 5.567480       0.5335415 5.425597       0.5527949 0.3058949      1.641758  
1 1 1 7   24 35 o 25.59045 0.8805684 6.589259       0.4491652 7.212661       0.6353685 5.966455       0.6350626 2.434855       1.761137  
1 1 1 7   24 36 o 25.19772 0.9128900 6.368956       0.4580360 5.583428       0.6340382 7.226369       0.6624147 -3.255035      1.825780  
1 1 1 7   24 37 o 65.12534 1.133223  42.66116       1.474370  41.44878       2.027730  44.02109       2.147577  -1.947380      2.266445  
1 1 1 7   24 38 o 43.64188 0.9265941 19.14854       0.8086578 19.08933       1.133596  19.20989       1.153904  -0.1339149     1.853188  
1 1 1 7   24 39 o 22.02862 0.9487013 4.790112       0.4119450 6.112126       0.6269779 3.785898       0.5464461 5.263168       1.897403  
1 1 1 7   24 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   24 41 o 53.20088 1.016342  28.44325       1.079564  27.39717       1.475332  29.64897       1.583914  -2.088493      2.032685  
1 1 1 7   24 42 o 29.39942 0.9001338 8.691105       0.5291334 8.422896       0.7441112 8.965450       0.7525757 -0.9208508     1.800268  
1 1 1 7   25 0  o 59.13560 0.7711306 34.96697       0.9112777 34.18502       1.258493  35.82888       1.321281  -1.387276      1.542261  
1 1 1 7   25 1  o 50.62897 0.7181266 25.61600       0.7266252 26.86927       1.050293  24.46548       1.006323  2.372208       1.436253  
1 1 1 7   25 2  o 53.05204 0.9332073 28.12384       0.9171223 28.34071       1.646044  28.02621       1.104434  0.2691803      1.866415  
1 1 1 7   25 3  o 69.05182 1.250849  47.62283       1.723822  50.52142       2.540809  45.15068       2.346478  3.875473       2.501697  
1 1 1 7   25 4  o 89.25189 1.485713  79.82655       2.649047  77.73982       3.643555  82.16650       3.858298  -2.461998      2.971427  
1 1 1 7   25 5  o 105.5036 3.293797  112.2856       6.950148  112.2856       6.950148  ?              ?         ?              ?         
1 1 1 7   25 6  o 44.60211 0.7385899 19.74189       0.6499167 18.93800       0.8445127 20.90950       1.017793  -2.202595      1.477180  
1 1 1 7   25 7  o 65.08943 0.9721602 42.56741       1.213252  42.90567       1.517108  41.96726       2.020802  0.7503281      1.944320  
1 1 1 7   25 8  o 49.52480 0.9339415 24.25378       0.9177138 22.20720       1.208333  27.04342       1.410735  -4.870544      1.867883  
1 1 1 7   25 9  o 56.24032 1.001476  31.68893       1.126447  31.91216       1.598538  31.46875       1.587592  0.3934708      2.002953  
1 1 1 7   25 10 o 26.88250 0.8096030 7.124858       0.4315325 6.027633       0.5736917 8.554689       0.6548972 -4.695608      1.619206  
1 1 1 7   25 11 o 33.90858 0.7740981 11.53051       0.5237325 10.62804       0.7412112 12.43035       0.7401294 -2.657658      1.548196  
1 1 1 7   25 12 o 60.14153 0.8438396 36.34700       1.010828  34.48548       1.474137  37.99908       1.388736  -2.926159      1.687679  
1 1 1 7   25 13 f 76.70908 0.9191424 58.65276       1.405400  62.42666       2.094739  55.56338       1.895268  4.460251       1.838285  
1 1 1 7   25 14 o 109.2118 1.216030  119.3211       2.650111  114.9210       3.605062  124.4945       3.909008  -4.354286      2.432060  
1 1 1 7   25 15 o 79.97884 0.9518563 63.45826       1.512023  69.45895       2.309615  58.95747       2.000243  6.541031       1.903713  
1 1 1 7   25 16 o 26.48266 0.6878089 6.985189       0.3633491 6.411076       0.4944493 7.659185       0.5357369 -2.354061      1.375618  
1 1 1 7   25 17 o 110.8826 1.234812  122.7949       2.727740  130.2774       4.080657  116.7507       3.667541  6.054199       2.469624  
1 1 1 7   25 18 f 96.07295 1.095797  92.54456       2.104536  90.96455       2.922843  94.24561       3.032725  -1.696159      2.191595  
1 1 1 7   25 19 o 29.79855 0.6800987 8.890655       0.4052941 9.030880       0.5757402 8.752905       0.5706388 0.4660721      1.360197  
1 1 1 7   25 20 o 46.48294 0.7124751 21.62361       0.6621172 22.36803       0.9506443 20.92227       0.9227298 1.553066       1.424950  
1 1 1 7   25 21 o 32.99530 0.6886829 10.72398       0.4503891 12.90800       0.6856385 9.066255       0.5973439 5.815138       1.377366  
1 1 1 7   25 22 o 38.61161 0.6929994 14.93187       0.5351129 15.17308       0.7576517 14.69179       0.7558790 0.6231041      1.385999  
1 1 1 7   25 23 o 17.34490 0.8505982 3.015850       0.2950623 2.990444       0.4173793 3.041233       0.4171830 -0.1464272     1.701196  
1 1 1 7   25 24 o 42.27951 0.7101809 17.89463       0.6001746 17.54743       0.8319123 18.27148       0.8667067 -0.8531609     1.420362  
1 1 1 7   25 25 o 69.20186 0.8793643 47.91539       1.215107  46.15306       1.661911  49.93959       1.781119  -2.721992      1.758729  
1 1 1 7   25 26 o 9.557013 1.456973  0.9674866      0.2697663 0.8351330      0.3994398 1.078481       0.3657914 -1.270795      2.913945  
1 1 1 7   25 27 o 72.34764 1.165469  52.00496       1.531521  54.10342       2.865929  51.16616       1.811939  1.861427       2.330937  
1 1 1 7   25 28 o 54.84283 1.263002  30.12687       1.381928  32.80780       2.037925  27.84472       1.880264  4.495758       2.526004  
1 1 1 7   25 29 o 10.89178 1.364060  1.221073       0.2808359 2.075377       0.4240663 0.5537239      0.3748042 6.962810       2.728120  
1 1 1 7   25 30 o 9.386494 1.483046  0.9270104      0.2711557 0.8898031      0.3971954 0.9594858      0.3710796 -0.3737726     2.966092  
1 1 1 7   25 31 o 36.02069 0.7243000 12.98803       0.5213084 13.78122       0.7530730 12.25820       0.7223682 2.110207       1.448600  
1 1 1 7   25 32 o 23.79436 0.7953123 5.680851       0.3783589 5.518758       0.5352686 5.842715       0.5348921 -0.6807957     1.590625  
1 1 1 7   25 33 o 28.23496 0.8050799 8.053566       0.4514872 8.763689       0.6230180 7.268195       0.6551953 2.652975       1.610160  
1 1 1 7   25 34 o 20.29384 0.9453030 4.144910       0.3830874 3.953664       0.5479321 4.327785       0.5358062 -0.9239845     1.890606  
1 1 1 7   25 35 o 51.46685 0.9821864 26.50417       1.008168  28.37629       1.495830  24.94589       1.364704  3.306789       1.964373  
1 1 1 7   25 36 o 36.79102 0.8762004 13.57981       0.6442271 12.98426       0.8911632 14.23174       0.9323835 -1.687374      1.752401  
1 1 1 7   25 37 o 58.51583 1.062919  34.39459       1.242063  36.06249       1.818953  32.93747       1.700144  2.642399       2.125839  
1 1 1 7   25 38 o 10.64458 1.567426  1.227185       0.3254954 0.8475211      0.4906673 1.525570       0.4349861 -3.288210      3.134852  
1 1 1 7   25 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   25 40 o 46.68843 1.165023  22.25733       1.047224  21.01744       1.706132  23.00684       1.326505  -2.236908      2.330045  
1 1 1 7   25 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   26 0  o 22.11073 1.307294  4.909394       0.5768073 5.322431       0.8199325 4.504720       0.8115891 1.848377       2.614589  
1 1 1 7   26 1  o 32.16006 0.9173610 10.21165       0.5123176 10.06500       0.5903391 10.65907       1.031130  -0.8963318     1.834722  
1 1 1 7   26 2  o 55.70802 0.7570007 30.68231       0.8376074 34.49764       1.279358  27.81996       1.108121  5.984386       1.514001  
1 1 1 7   26 3  o 40.39690 0.6752236 16.32406       0.5452611 16.04411       0.7567949 16.62624       0.7862814 -0.7191086     1.350447  
1 1 1 7   26 4  o 43.20075 0.6853993 18.61201       0.5911062 20.05280       0.8662872 17.35675       0.8085929 3.117592       1.370799  
1 1 1 7   26 5  o 30.96989 0.6723716 9.423228       0.4126148 8.149496       0.5426424 11.16910       0.6353027 -4.870695      1.344743  
1 1 1 7   26 6  o 115.9426 1.278962  134.6575       2.962268  138.9586       4.317076  130.8306       4.072200  3.483200       2.557923  
1 1 1 7   26 7  o 70.09680 0.8647443 49.13160       1.211182  51.01560       1.760090  47.43705       1.669258  2.546944       1.729489  
1 1 1 7   26 8  o 35.72069 0.6717299 12.77254       0.4795879 13.37818       0.6818154 12.17945       0.6747195 1.677567       1.343460  
1 1 1 7   26 9  o 109.4298 1.218039  119.4065       2.652822  113.1642       3.547297  127.3278       3.995962  -6.428886      2.436078  
1 1 1 7   26 10 o 62.08987 0.8039557 38.59135       0.9981257 39.56434       1.429126  37.66476       1.394632  1.527447       1.607911  
1 1 1 7   26 11 o 131.5387 1.434991  173.7196       3.772382  170.2844       5.217345  177.4830       5.460891  -2.707138      2.869982  
1 1 1 7   26 12 o 20.33367 0.8200360 4.155200       0.3276238 4.218058       0.4270427 4.065274       0.5107810 0.3815460      1.640072  
1 1 1 7   26 13 o 83.82288 1.347719  70.30695       2.252292  67.29115       3.043470  73.95827       3.348825  -3.940163      2.695439  
1 1 1 7   26 14 o 48.15277 0.9219125 22.85578       0.8787029 20.69507       1.146529  25.93154       1.367929  -5.418106      1.843825  
1 1 1 7   26 15 o 65.13771 1.108868  42.52270       1.443137  41.43972       1.988026  43.72908       2.098238  -1.745110      2.217737  
1 1 1 7   26 16 o 97.55846 1.354832  93.64703       2.450765  101.1240       4.460796  90.41445       2.933085  5.276276       2.709663  
1 1 1 7   26 17 o 38.85815 0.6954893 15.08206       0.5397287 14.39464       0.7394456 15.86591       0.7896043 -1.889454      1.390979  
1 1 1 7   26 18 o 80.49415 0.9619999 64.69231       1.544212  68.63692       2.292945  61.41827       2.088972  4.462631       1.924000  
1 1 1 7   26 19 f 25.41277 0.7126626 6.467267       0.3620333 6.755374       0.5160877 6.188125       0.5079930 1.115416       1.425325  
1 1 1 7   26 20 o 46.90651 0.7218109 22.03568       0.6769067 21.85994       0.9430607 22.22244       0.9721848 -0.3839111     1.443622  
1 1 1 7   26 21 o 33.75462 0.6980320 11.30933       0.4687036 13.07117       0.6987022 9.867826       0.6319998 4.739231       1.396064  
1 1 1 7   26 22 o 60.65507 0.8124160 36.79124       0.9839255 35.40068       1.345321  38.39049       1.442744  -2.454224      1.624832  
1 1 1 7   26 23 o 36.90788 0.7072830 13.63988       0.5217964 13.41963       0.7237717 13.87827       0.7529563 -0.6185379     1.414566  
1 1 1 7   26 24 o 35.48481 1.055218  13.54229       0.6441755 10.84669       1.222327  14.57886       0.7579778 -5.321777      2.110435  
1 1 1 7   26 25 o 12.71365 2.473411  1.624724       0.6661037 1.044875       0.8839549 2.386612       1.013253  -4.533966      4.946821  
1 1 1 7   26 26 o 47.12616 0.7444893 22.24452       0.7014164 21.73278       0.9751738 22.79304       1.009628  -1.121155      1.488979  
1 1 1 7   26 27 o 48.55333 0.7510726 23.61063       0.7288827 23.06032       1.009242  24.21059       1.053792  -1.179409      1.502145  
1 1 1 7   26 28 o 28.64625 0.7349450 8.207992       0.4205658 7.730645       0.5795606 8.738956       0.6112431 -1.756035      1.469890  
1 1 1 7   26 29 o 16.53104 0.9397888 2.714679       0.3084818 3.218222       0.4617662 2.308827       0.4145601 2.742794       1.879578  
1 1 1 7   26 30 o 37.35258 0.7284853 13.98295       0.5440493 13.51128       0.7612792 14.47530       0.7777904 -1.288300      1.456971  
1 1 1 7   26 31 o 40.75597 0.8275833 16.50167       0.6587052 15.92667       0.8383828 17.42916       1.064787  -1.809181      1.655167  
1 1 1 7   26 32 o 34.50233 0.8700909 11.84605       0.5976648 13.22732       0.8973462 10.74480       0.8012455 3.581303       1.740182  
1 1 1 7   26 33 o 46.21793 0.9347210 21.46686       0.8640156 21.51027       1.221630  21.42341       1.222175  0.9407043E-01  1.869442  
1 1 1 7   26 34 o 19.67042 0.9827086 3.904604       0.3839094 3.349876       0.5390944 4.475404       0.5468482 -2.859301      1.965417  
1 1 1 7   26 35 o 31.52534 0.8846325 9.985725       0.5577162 10.07369       0.7952487 9.900585       0.7823685 0.2720413      1.769265  
1 1 1 7   26 36 o 40.11537 0.9066475 16.12642       0.7262412 17.20564       1.063127  15.18216       0.9944318 2.507828       1.813295  
1 1 1 7   26 37 o 19.15783 1.025219  3.679910       0.3919019 3.982236       0.5779196 3.422525       0.5332388 1.449512       2.050438  
1 1 1 7   26 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   26 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   27 0  o 54.27748 0.7487642 29.46540       0.8123704 30.61960       1.171822  28.39742       1.127207  2.044373       1.497528  
1 1 1 7   27 1  o 59.52814 0.7851332 35.04536       0.9280488 39.25261       1.420190  31.90985       1.226031  6.155071       1.570266  
1 1 1 7   27 2  o 104.6250 1.172763  109.7450       2.452876  111.9638       3.534481  107.6836       3.406820  2.033211       2.345526  
1 1 1 7   27 3  o 68.39149 0.8540156 46.85053       1.168105  47.31352       1.660220  46.39664       1.643802  0.6691589      1.708031  
1 1 1 7   27 4  f 74.44144 0.9002713 55.49441       1.339950  56.62627       1.923974  54.42830       1.867249  1.472023       1.800543  
1 1 1 7   27 5  o 61.62955 0.8042678 37.96773       0.9903167 39.73257       1.440610  36.38652       1.363599  2.709370       1.608536  
1 1 1 7   27 6  o 39.51297 0.6847250 15.54804       0.5392200 14.69086       0.7264572 16.59973       0.8046711 -2.410847      1.369450  
1 1 1 7   27 7  o 65.08556 0.8272402 42.40199       1.076385  43.58573       1.549523  41.29809       1.496345  1.753502       1.654480  
1 1 1 7   27 8  o 70.36573 0.8708632 49.57380       1.224910  48.54617       1.698599  50.68719       1.768058  -1.515793      1.741726  
1 1 1 7   27 9  o 91.23209 1.054185  83.47822       1.923436  83.99010       2.734740  82.97711       2.705789  0.5522537      2.108369  
1 1 1 7   27 10 o 74.80735 0.9078724 55.46864       1.347591  51.43218       1.775524  60.95334       2.069677  -6.337158      1.815745  
1 1 1 7   27 11 o 63.85226 0.8204872 40.85139       1.047788  40.94204       1.479447  40.76017       1.484157  0.1428185      1.640974  
1 1 1 7   27 12 o 46.10907 0.7112164 21.03090       0.6518148 24.00273       0.9884399 18.74417       0.8670530 5.693272       1.422433  
1 1 1 7   27 13 o 68.60564 0.8590106 47.04208       1.176218  45.28077       1.602272  49.10052       1.732157  -2.772057      1.718021  
1 1 1 7   27 14 f 41.22370 0.6973457 16.98347       0.5741599 18.26809       0.8318757 15.81477       0.7934555 2.972702       1.394691  
1 1 1 7   27 15 o 103.6545 1.172354  107.9056       2.430276  108.8023       3.458088  107.0306       3.416154  0.8490448      2.344708  
1 1 1 7   27 16 o 44.01618 0.7098345 19.35960       0.6238059 18.64869       0.8523158 20.17974       0.9154540 -1.733929      1.419669  
1 1 1 7   27 17 o 70.75504 1.035525  50.83085       1.425564  52.98983       1.838590  47.57644       2.257343  3.877724       2.071050  
1 1 1 7   27 18 o 23.70041 0.8624220 5.622130       0.4077739 5.086727       0.5647687 6.205208       0.5893771 -2.356932      1.724844  
1 1 1 7   27 19 o 56.65390 1.017573  32.17558       1.151847  31.25122       1.586566  33.20578       1.674939  -1.713097      2.035147  
1 1 1 7   27 20 o 36.37607 0.8500618 13.26586       0.6183637 13.07539       0.8663533 13.46367       0.8828773 -0.5317917     1.700124  
1 1 1 7   27 21 o 79.18135 2.695588  0.000000       0.000000  ?              ?         63.58210       4.268806  ?              ?         
1 1 1 7   27 22 o 38.16881 1.869200  0.000000       0.000000  ?              ?         14.67163       1.426903  ?              ?         
1 1 1 7   27 23 o 57.82212 0.8039308 33.51893       0.9295580 33.28389       1.301467  33.76369       1.328125  -0.4117661     1.607862  
1 1 1 7   27 24 o 44.02000 0.7390106 19.33705       0.6489739 18.24879       0.8802671 20.63289       0.9605552 -2.699066      1.478021  
1 1 1 7   27 25 o 55.21207 0.7887167 30.53688       0.8704348 31.62489       1.256875  29.53414       1.206624  1.886963       1.577433  
1 1 1 7   27 26 o 37.65633 0.7247131 14.14108       0.5443501 13.03311       0.7395160 15.45136       0.8042001 -3.202827      1.449426  
1 1 1 7   27 27 o 21.06326 0.8301620 4.450717       0.3495450 4.486506       0.5031770 4.417338       0.4859363 0.1616688      1.660324  
1 1 1 7   27 28 o 43.89181 0.7859632 18.83729       0.6777018 16.90036       0.8651991 21.91237       1.090155  -5.678013      1.571926  
1 1 1 7   27 29 o 67.63687 1.033097  45.66030       1.340966  44.80688       1.668127  47.21913       2.254490  -1.671448      2.066194  
1 1 1 7   27 30 o 23.12729 0.9202800 5.392462       0.4240417 4.913412       0.6050176 5.854988       0.5944920 -2.037544      1.840560  
1 1 1 7   27 31 o 52.92836 0.9977410 28.16892       1.056089  28.55929       1.505088  27.79030       1.482245  0.7218437      1.995482  
1 1 1 7   27 32 f 45.62283 0.9304385 20.92407       0.8488660 20.72540       1.188600  21.13088       1.212719  -0.4394073     1.860877  
1 1 1 7   27 33 o 55.21868 1.026046  30.69098       1.133136  30.74505       1.604030  30.63712       1.600968  0.9704590E-01  2.052092  
1 1 1 7   27 34 o 69.23465 1.185447  48.36535       1.641381  48.86977       2.336973  47.87426       2.305868  0.7104874      2.370895  
1 1 1 7   27 35 f 44.75714 0.9451212 20.05140       0.8434698 18.83836       1.140002  21.51870       1.253794  -2.967926      1.890242  
1 1 1 7   27 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   27 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   28 0  o 84.89334 0.9925032 72.26855       1.685135  72.45966       2.384815  72.07796       2.381470  0.2244873      1.985006  
1 1 1 7   28 1  o 67.93486 0.8523977 46.23328       1.157960  47.00168       1.656027  45.49813       1.619781  1.103500       1.704795  
1 1 1 7   28 2  f 15.88371 0.9249669 2.532283       0.2926714 2.566482       0.3980941 2.492056       0.4317514 0.2374487      1.849934  
1 1 1 7   28 3  o 31.03288 0.6865047 9.648862       0.4258501 9.919872       0.5986377 9.371224       0.6059141 0.8844948      1.373009  
1 1 1 7   28 4  o 63.15477 0.8150290 39.93963       1.028908  39.28966       1.427586  40.64223       1.484259  -1.066044      1.630058  
1 1 1 7   28 5  o 65.84235 0.8397838 43.38112       1.105054  45.14046       1.600175  41.77713       1.527894  2.547729       1.679568  
1 1 1 7   28 6  o 41.92898 0.6971131 17.41675       0.5808462 15.99439       0.7700194 19.29461       0.8847629 -3.927074      1.394226  
1 1 1 7   28 7  f 28.15943 0.6981557 7.948567       0.3926864 8.400523       0.5547242 7.494591       0.5559627 1.608667       1.396311  
1 1 1 7   28 8  o 62.41014 0.8149353 39.01668       1.016854  38.58350       1.416492  39.47727       1.460621  -0.7121696     1.629871  
1 1 1 7   28 9  o 46.31741 0.7183244 21.01622       0.6573274 18.51993       0.8525262 24.67593       1.032246  -6.631180      1.436649  
1 1 1 7   28 10 o 29.29272 0.6987774 8.591124       0.4088185 8.539124       0.5627768 8.649223       0.5948707 -0.1853848     1.397555  
1 1 1 7   28 11 o 63.53263 0.8257576 40.45295       1.049206  40.98476       1.488777  39.92818       1.478876  0.8305740      1.651515  
1 1 1 7   28 12 o 48.69342 0.7313424 23.76054       0.7120029 24.12886       0.9995428 23.38113       1.014472  0.7691116      1.462685  
1 1 1 7   28 13 o 57.29002 0.7841165 32.75286       0.8955939 31.24544       1.209684  34.58135       1.332298  -2.899509      1.568233  
1 1 1 7   28 14 o 99.36714 1.134159  99.10895       2.252183  97.07749       3.112131  101.3427       3.263386  -2.124199      2.268319  
1 1 1 7   28 15 o 63.67007 0.8317994 40.61381       1.058825  41.91294       1.521531  39.39392       1.474392  1.973011       1.663599  
1 1 1 7   28 16 o 75.56614 0.9241964 57.24705       1.396132  58.65527       2.011653  55.93845       1.939199  1.788589       1.848393  
1 1 1 7   28 17 o 42.91422 0.9907967 18.54226       0.7541027 18.36377       1.449755  18.60848       0.8829522 -0.3594246     1.981593  
1 1 1 7   28 18 o 36.58093 1.253919  13.47419       0.9158007 14.46259       1.300673  12.50244       1.289672  2.677265       2.507838  
1 1 1 7   28 19 o 17.53701 1.801624  3.816094       0.4229928 4.157469       0.4682415 2.301488       0.9862878 5.650557       3.603247  
1 1 1 7   28 20 o 52.71382 0.7675017 27.79475       0.8082765 29.32641       1.175695  26.42202       1.113029  2.747818       1.535003  
1 1 1 7   28 21 o 28.09444 0.7239847 7.846974       0.4049104 6.919002       0.5473580 8.968575       0.6017597 -3.641714      1.447969  
1 1 1 7   28 22 o 51.52297 0.7647514 26.57477       0.7874127 27.80460       1.140809  25.45577       1.088193  2.272884       1.529503  
1 1 1 7   28 23 o 4.175268 1.272732  -0.3508117     0.2439996 -1.164140      0.3834534 0.2025798      0.3162976 -2.511905      2.545464  
1 1 1 7   28 24 o 28.07144 0.8656117 7.887834       0.4852280 8.303709       0.7107797 7.524860       0.6640349 1.380135       1.731223  
1 1 1 7   28 25 f 10.46953 1.478073  1.123095       0.3057675 1.809848       0.4562763 0.5632834      0.4119537 5.870126       2.956146  
1 1 1 7   28 26 o 42.20483 0.8931673 17.88486       0.7539025 17.99722       1.070555  17.77432       1.061857  0.2626686      1.786335  
1 1 1 7   28 27 o 26.52481 0.8538684 6.911719       0.4480039 8.411364       0.6926917 5.833344       0.5873958 4.842339       1.707737  
1 1 1 7   28 28 o 46.20167 0.9293671 21.39298       0.8575312 20.38132       1.175014  22.54585       1.254333  -2.327782      1.858734  
1 1 1 7   28 29 o 42.99738 0.9153317 18.57823       0.7871079 18.69651       1.119043  18.46241       1.107327  0.2699852      1.830663  
1 1 1 7   28 30 o 78.79657 1.302240  62.74144       2.051889  62.06943       2.869997  63.44410       2.934703  -0.8534546     2.604481  
1 1 1 7   28 31 o 38.72529 0.8875209 15.04827       0.6868159 15.61511       0.9965185 14.53538       0.9479123 1.384556       1.775042  
1 1 1 7   28 32 o 59.22388 1.068628  35.24146       1.263472  33.82727       1.724655  36.87965       1.856228  -2.544441      2.137256  
1 1 1 7   28 33 f 35.92131 1.268123  0.000000       0.000000  ?              ?         12.97619       0.9110529 ?              ?         
1 1 1 7   28 34 o 21.17719 1.410005  4.515863       0.5971987 4.515863       0.5971987 ?              ?         ?              ?         
1 1 1 7   28 35 o 27.71999 1.106949  7.547578       0.5719204 8.309428       1.034933  7.212635       0.6862197 1.882589       2.213898  
1 1 1 7   29 0  f 12.17725 1.158840  1.505742       0.2790184 1.701294       0.3857705 1.291221       0.4040470 1.686158       2.317680  
1 1 1 7   29 1  o 64.18385 0.8271090 41.27180       1.061364  40.74112       1.477852  41.83708       1.525261  -0.8492622     1.654218  
1 1 1 7   29 2  o 66.08881 0.8400228 43.73806       1.109723  44.99905       1.601923  42.57456       1.538754  1.828110       1.680046  
1 1 1 7   29 3  o 35.16260 0.6849214 12.34749       0.4805771 11.88410       0.6536106 12.89283       0.7090462 -1.429924      1.369843  
1 1 1 7   29 4  o 95.44680 1.091427  91.42362       2.082838  93.11133       2.990654  89.83396       2.902482  1.705429       2.182853  
1 1 1 7   29 5  o 63.63284 0.8231887 40.50335       1.046129  39.14620       1.433497  42.04964       1.530125  -2.271816      1.646377  
1 1 1 7   29 6  o 105.6367 1.188728  111.9195       2.507909  116.0871       3.667023  108.2573       3.437527  3.672600       2.377457  
1 1 1 7   29 7  o 68.95972 0.8669094 47.31821       1.189085  44.42167       1.584199  51.05577       1.799553  -4.786781      1.733819  
1 1 1 7   29 8  o 34.26820 0.6866920 11.75571       0.4701906 12.49052       0.6735933 11.05745       0.6566311 2.089470       1.373384  
1 1 1 7   29 9  o 38.83633 0.6932615 15.06915       0.5371317 14.57583       0.7297061 15.65255       0.7935401 -1.380459      1.386523  
1 1 1 7   29 10 o 16.29212 0.9274944 2.649558       0.2932859 1.857123       0.3959564 3.612785       0.4365458 -5.383191      1.854989  
1 1 1 7   29 11 o 33.15767 0.6902579 11.01759       0.4575795 11.33665       0.6461565 10.69662       0.6480780 0.9653244      1.380516  
1 1 1 7   29 12 o 53.81550 0.7640570 28.61202       0.8149956 26.08003       1.068753  32.13033       1.259830  -5.601452      1.528114  
1 1 1 7   29 13 f 84.20964 1.091628  70.97443       1.810071  72.74448       2.834537  69.75563       2.352091  1.702324       2.183255  
1 1 1 7   29 14 o 32.38013 1.297945  10.30039       0.8302265 8.631618       1.083608  12.67237       1.291901  -6.201323      2.595890  
1 1 1 7   29 15 f 21.90864 1.366287  4.941807       0.5341749 5.078384       0.6319517 4.600013       0.9997154 1.162106       2.732575  
1 1 1 7   29 16 f 124.6158 1.379721  156.5140       3.438686  156.8698       4.871589  156.1606       4.854529  0.2811127      2.759442  
1 1 1 7   29 17 o 24.99986 0.7434569 6.266448       0.3708244 6.847877       0.5295534 5.707011       0.5194426 2.280630       1.486914  
1 1 1 7   29 18 o 45.41767 0.7381048 20.65531       0.6696330 20.25543       0.9208108 21.10415       0.9755678 -0.9280014     1.476210  
1 1 1 7   29 19 o 8.014564 1.516220  0.6468508      0.2592592 0.9683602      0.3821048 0.3725686      0.3529266 3.191955       3.032439  
1 1 1 7   29 20 o 33.58739 0.7159185 11.26218       0.4799037 10.49781       0.6543622 12.15180       0.7059418 -2.455765      1.431837  
1 1 1 7   29 21 o 19.67256 0.8415463 3.878064       0.3307844 4.125018       0.4772519 3.649749       0.4588880 1.205227       1.683093  
1 1 1 7   29 22 o 38.97667 0.7280963 15.17182       0.5664181 14.24404       0.7720368 16.25340       0.8335695 -2.569714      1.456193  
1 1 1 7   29 23 f 24.38951 0.7710745 5.967287       0.3760835 5.895826       0.5333835 6.037937       0.5303541 -0.2917595     1.542149  
1 1 1 7   29 24 f 25.39205 0.7950711 6.383519       0.4008484 5.490177       0.5347533 7.529272       0.6056055 -4.004461      1.590142  
1 1 1 7   29 25 o 6.044209 1.411362  0.1455518      0.2655769 -0.5414444     0.3936035 0.7197083      0.3598296 -4.464027      2.822724  
1 1 1 7   29 26 o 10.54773 1.520179  1.176329       0.3090536 1.058046       0.4539954 1.278480       0.4219026 -1.066482      3.040357  
1 1 1 7   29 27 o 19.88963 0.9720833 3.979805       0.3857213 3.973915       0.5655710 3.984926       0.5274106 -0.3590202E-01 1.944167  
1 1 1 7   29 28 o 51.59354 0.9888978 26.77631       1.020302  26.44101       1.429977  27.12403       1.456231  -0.6562004     1.977796  
1 1 1 7   29 29 o 57.59930 1.050940  33.35822       1.209381  32.32867       1.664203  34.51038       1.760502  -1.871037      2.101880  
1 1 1 7   29 30 o 28.33780 1.110961  7.711630       0.5732533 9.033508       1.095826  7.213595       0.6726303 3.100548       2.221922  
1 1 1 7   29 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   29 32 o 23.58681 0.9510061 5.594438       0.4471223 6.235853       0.6431636 4.994504       0.6220193 2.626551       1.902012  
1 1 1 7   29 33 o 38.07589 1.310118  0.000000       0.000000  ?              ?         14.58714       0.9976780 ?              ?         
1 1 1 7   30 0  o 59.36951 0.7999849 35.33329       0.9498657 35.67805       1.344254  34.98949       1.342374  0.5797005      1.599970  
1 1 1 7   30 1  o 83.44266 0.9886562 69.88570       1.649916  70.13765       2.334905  69.63442       2.331767  0.3011169      1.977312  
1 1 1 7   30 2  o 56.21124 0.7780567 31.20699       0.8669049 28.35224       1.136931  35.17199       1.339897  -6.044823      1.556113  
1 1 1 7   30 3  o 35.96490 0.6996931 12.94869       0.5028679 12.72150       0.6947215 13.19873       0.7288292 -0.6602402     1.399386  
1 1 1 7   30 4  o 68.95206 0.8706973 47.20760       1.192426  43.87658       1.577560  51.64725       1.821261  -5.605980      1.741395  
1 1 1 7   30 5  o 77.93825 0.9427097 60.87743       1.468367  62.85367       2.127490  59.07963       2.029166  2.408531       1.885419  
1 1 1 7   30 6  o 24.48701 0.7552915 5.942537       0.3675961 5.152110       0.4929568 6.932604       0.5517091 -3.629505      1.510583  
1 1 1 7   30 7  f 48.58748 0.7359719 23.58217       0.7140325 25.28600       1.043815  22.08368       0.9788978 3.288765       1.471944  
1 1 1 7   30 8  o 32.53580 0.7047373 10.60846       0.4580836 10.64153       0.6337383 10.57228       0.6629015 0.1093254      1.409475  
1 1 1 7   30 9  o 31.95971 0.9866745 9.706196       0.5446091 11.35694       1.133611  9.210877       0.6209637 3.285530       1.973349  
1 1 1 7   30 10 o 12.73293 2.378321  1.731998       0.6275787 2.164794       0.8660455 1.253422       0.9106980 3.133398       4.756643  
1 1 1 7   30 11 o 62.04272 1.070005  38.12307       1.194523  37.42942       1.403654  39.94460       2.274629  -1.893219      2.140011  
1 1 1 7   30 12 o 64.58730 0.8438448 41.83710       1.089993  42.31147       1.548469  41.37120       1.534589  0.7261658      1.687690  
1 1 1 7   30 13 o 39.95128 0.7129005 15.95588       0.5687676 17.21039       0.8263689 14.82665       0.7840187 2.978668       1.425801  
1 1 1 7   30 14 f 45.84251 0.7317137 20.98681       0.6695974 22.59463       0.9825162 19.59238       0.9149930 3.266544       1.463427  
1 1 1 7   30 15 o 51.42104 0.7623605 26.51509       0.7838996 27.15188       1.111757  25.88548       1.105473  1.230591       1.524721  
1 1 1 7   30 16 o 24.00445 0.7583870 5.745983       0.3630610 5.267076       0.4929667 6.313652       0.5367094 -2.174162      1.516774  
1 1 1 7   30 17 o 34.76437 0.7222313 12.09829       0.5016213 11.73172       0.6902356 12.50860       0.7302541 -1.112263      1.444463  
1 1 1 7   30 18 o 24.49700 0.7673650 6.026302       0.3742988 6.760371       0.5344925 5.319879       0.5243309 2.938768       1.534730  
1 1 1 7   30 19 o 5.808852 1.566645  0.2377250      0.2528909 0.1994970      0.3698112 0.2713047      0.3465998 -0.1970916     3.133290  
1 1 1 7   30 20 o 24.73553 0.7647784 6.118493       0.3777491 6.576310       0.5513124 5.713359       0.5186210 1.739714       1.529557  
1 1 1 7   30 21 o 46.66101 0.7529896 21.82455       0.7022569 21.42283       0.9726371 22.26204       1.015000  -0.8930626     1.505979  
1 1 1 7   30 22 o 14.61064 1.067859  2.140030       0.3094883 2.546042       0.4528868 1.784306       0.4239135 2.600660       2.135717  
1 1 1 7   30 23 o 29.51159 0.7999482 8.535265       0.4649934 7.620457       0.5975102 9.940090       0.7404426 -3.906572      1.599896  
1 1 1 7   30 24 o 15.04841 1.092613  2.262549       0.3255901 2.754727       0.4829582 1.852493       0.4408283 2.987641       2.185225  
1 1 1 7   30 25 o 58.00642 1.059412  33.84773       1.227981  33.07079       1.694642  34.70673       1.781895  -1.389687      2.118824  
1 1 1 7   30 26 o 42.38783 0.9088740 18.02631       0.7697526 18.93386       1.118239  17.20900       1.061189  2.023033       1.817748  
1 1 1 7   30 27 o 76.04587 1.565225  59.25705       2.267864  57.07916       3.800412  60.46151       2.826234  -2.573586      3.130450  
1 1 1 7   30 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   30 29 o 26.27867 0.9168231 6.868429       0.4776927 5.724644       0.6421241 8.285886       0.7148281 -4.856724      1.833646  
1 1 1 7   30 30 f 44.23627 0.9365199 19.68474       0.8284925 19.94645       1.180988  19.43114       1.162560  0.5782127      1.873040  
1 1 1 7   31 0  o 28.37862 0.7313783 8.068324       0.4143871 8.732935       0.5933753 7.435626       0.5789545 2.284174       1.462757  
1 1 1 7   31 1  o 47.10091 0.7391215 22.23758       0.6961591 22.67627       0.9842109 21.79835       0.9848247 0.9320259      1.478243  
1 1 1 7   31 2  o 58.48858 0.8021114 34.29304       0.9381847 34.91239       1.337977  33.69397       1.315887  1.038986       1.604223  
1 1 1 7   31 3  o 37.19727 0.7113121 13.74612       0.5266168 12.67200       0.7037559 15.11288       0.7938549 -3.271542      1.422624  
1 1 1 7   31 4  f 20.10127 1.287438  4.073764       0.4352640 4.059328       0.9065503 4.078089       0.4961991 -0.1219006     2.574876  
1 1 1 7   31 5  o 34.49056 1.215775  12.01125       0.8331047 13.68531       1.184085  10.37014       1.172378  4.803776       2.431551  
1 1 1 7   31 6  o 54.58693 1.087465  30.30208       1.149724  31.46629       1.470472  28.47095       1.844172  2.805485       2.174931  
1 1 1 7   31 7  o 64.66822 0.8475215 41.87325       1.094280  40.65094       1.496290  43.27868       1.604458  -2.017170      1.695043  
1 1 1 7   31 8  o 42.82153 0.7257297 18.35683       0.6208676 17.88084       0.8545058 18.88912       0.9036309 -1.171471      1.451459  
1 1 1 7   31 9  o 35.45741 0.7147006 12.60262       0.5068145 12.73585       0.7185189 12.47070       0.7149822 0.3734627      1.429401  
1 1 1 7   31 10 o 59.71430 0.8143003 35.77424       0.9724942 35.91387       1.373635  35.63393       1.377000  0.2348747      1.628601  
1 1 1 7   31 11 o 33.10121 0.7292215 10.98813       0.4826144 11.09436       0.6762027 10.87782       0.6890174 0.3287239      1.458443  
1 1 1 7   31 12 f 71.26479 0.8986405 50.85873       1.278446  48.93676       1.744577  53.08801       1.878876  -2.891273      1.797281  
1 1 1 7   31 13 o 39.24757 0.7181808 15.39077       0.5626846 14.58290       0.7677040 16.32854       0.8271268 -2.216358      1.436362  
1 1 1 7   31 14 o 50.76453 0.7605397 25.84664       0.7721044 25.97136       1.086526  25.71940       1.097397  0.2496300      1.521079  
1 1 1 7   31 15 o 56.36227 0.7944146 31.87041       0.8954611 31.95254       1.261446  31.78698       1.271359  0.1482964      1.588829  
1 1 1 7   31 16 o 69.48953 0.8906299 48.48970       1.237746  48.37816       1.742328  48.60334       1.758661  -0.1593018     1.781260  
1 1 1 7   31 17 f 20.56755 0.8309548 4.248558       0.3413044 4.541747       0.4849267 3.960746       0.4804590 1.411701       1.661910  
1 1 1 7   31 18 o 11.04101 1.330233  1.260661       0.2825142 1.564173       0.4052132 0.9735826      0.3940898 2.838818       2.660465  
1 1 1 7   31 19 o 60.48753 0.8300177 36.63376       1.002680  38.62056       1.466415  34.88925       1.374091  3.068909       1.660035  
1 1 1 7   31 20 o 18.73395 0.8793885 3.522255       0.3290760 3.778960       0.4732222 3.281882       0.4579223 1.323795       1.758777  
1 1 1 7   31 21 o 21.74776 0.8582401 4.743074       0.3697641 5.679381       0.5382286 3.906167       0.5088575 4.071182       1.716480  
1 1 1 7   31 22 o 44.41921 0.8477228 19.69988       0.7362207 19.26958       0.9416182 20.37666       1.180892  -1.201637      1.695446  
1 1 1 7   31 23 o 34.33953 0.8313933 11.87939       0.5690737 12.42226       0.7853385 11.27919       0.8257662 1.671906       1.662787  
1 1 1 7   31 24 o 18.70044 1.409272  0.000000       0.000000  ?              ?         3.520042       0.5270800 ?              ?         
1 1 1 7   31 25 o 58.88351 2.180477  35.24998       2.567882  35.24998       2.567882  ?              ?         ?              ?         
1 1 1 7   31 26 o 42.14986 0.9202767 17.62070       0.7697721 15.87360       1.014595  19.99047       1.181644  -4.845139      1.840553  
1 1 1 7   31 27 o 41.17023 0.9141765 17.02829       0.7523052 17.70770       1.085563  16.40050       1.043522  1.578159       1.828353  
1 1 1 7   31 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   32 0  o 40.56591 1.169519  16.56668       0.9483303 17.31143       1.349363  15.83980       1.333069  1.810543       2.339038  
1 1 1 7   32 1  o 23.73294 1.120753  5.650101       0.5319752 5.650101       0.5319752 ?              ?         ?              ?         
1 1 1 7   32 2  o 40.98740 0.9264818 16.85799       0.7588076 16.57087       1.047718  17.17475       1.100455  -0.7280693     1.852964  
1 1 1 7   32 3  o 72.01625 1.224793  52.19720       1.762659  50.99221       2.434233  53.52550       2.555756  -1.732613      2.449586  
1 1 1 7   32 4  o 13.90269 1.257784  1.996374       0.3410021 1.615700       0.5070415 2.310742       0.4607719 -2.509705      2.515567  
1 1 1 7   32 5  o 37.22136 0.7325845 13.89142       0.5452105 14.32036       0.7739677 13.46889       0.7681535 1.143036       1.465169  
1 1 1 7   32 6  o 37.37431 0.7275724 13.98999       0.5434825 13.60214       0.7518632 14.41441       0.7865074 -1.082211      1.455145  
1 1 1 7   32 7  o 31.16626 0.7341642 9.631719       0.4550754 8.620439       0.6072662 10.92706       0.6872838 -3.690100      1.468328  
1 1 1 7   32 8  o 36.52122 0.7241960 13.37482       0.5289082 13.50706       0.7447943 13.24029       0.7512255 0.3660507      1.448392  
1 1 1 7   32 9  f 27.45587 0.7448415 7.469337       0.4065256 6.576510       0.5426514 8.611309       0.6137127 -3.695990      1.489683  
1 1 1 7   32 10 o 29.62821 0.7312962 8.815040       0.4325515 9.047274       0.5989279 8.561847       0.6253688 0.8227768      1.462592  
1 1 1 7   32 11 o 64.07455 0.8507996 40.78146       1.082642  37.74745       1.431443  44.83681       1.654932  -5.495895      1.701599  
1 1 1 7   32 12 o 48.17768 0.7561226 23.27468       0.7280999 23.02809       1.009531  23.54199       1.051104  -0.5271912     1.512245  
1 1 1 7   32 13 o 54.23364 0.7881340 29.49157       0.8545188 30.49242       1.228950  28.55475       1.188985  1.780148       1.576268  
1 1 1 7   32 14 o 50.90586 0.7679532 25.90575       0.7804286 27.76034       1.145380  24.29857       1.066249  3.388004       1.535906  
1 1 1 7   32 15 o 18.79832 0.8900687 3.553853       0.3329693 3.108803       0.4654140 4.020481       0.4765632 -2.422852      1.780137  
1 1 1 7   32 16 o 76.74261 0.9556732 59.09975       1.464448  57.10598       2.003329  61.38787       2.146122  -2.759895      1.911346  
1 1 1 7   32 17 o 17.36136 0.9528377 3.031588       0.3307381 3.026540       0.4737445 3.036387       0.4619472 -0.3087234E-01 1.905675  
1 1 1 7   32 18 o 60.57085 0.8991095 36.63263       1.073575  35.51117       1.394980  38.26173       1.681327  -2.213879      1.798219  
1 1 1 7   32 19 o 57.33272 0.9372227 33.26834       1.048932  34.09558       1.353707  32.02536       1.659353  1.868958       1.874445  
1 1 1 7   32 20 o 36.36549 0.8839905 13.27165       0.6424440 13.90302       0.9296809 12.69458       0.8888031 1.653183       1.767981  
1 1 1 7   32 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   32 22 o 60.73316 1.534981  37.19487       1.864484  37.19487       1.864484  ?              ?         ?              ?         
1 1 1 7   32 23 o 54.90293 1.023676  30.36432       1.124043  30.43683       1.586864  30.29129       1.592423  0.1339493      2.047353  
1 1 1 7   32 24 o 13.13608 1.353773  1.746137       0.3360489 2.423420       0.5082874 1.220205       0.4479082 4.717984       2.707545  
1 1 1 7   32 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   33 0  o 66.36021 0.8643909 44.21127       1.147009  44.06689       1.605503  44.36179       1.639256  -0.2166290     1.728782  
1 1 1 7   33 1  o 46.72847 0.7538803 21.82357       0.7031704 23.73625       1.028216  20.14311       0.9637753 3.835377       1.507761  
1 1 1 7   33 2  o 129.1026 1.430473  168.4795       3.692273  166.2721       5.141866  170.8294       5.305292  -1.719742      2.860946  
1 1 1 7   33 3  f 29.28345 0.7514012 8.623283       0.4385893 9.408187       0.6189390 7.831647       0.6215873 2.692251       1.502802  
1 1 1 7   33 4  o 72.66379 0.9135239 52.98339       1.326170  51.77586       1.825773  54.33203       1.929497  -1.740211      1.827048  
1 1 1 7   33 5  o 57.39634 0.8066677 32.99926       0.9247469 31.88188       1.268317  34.26742       1.351192  -2.064850      1.613335  
1 1 1 7   33 6  o 69.88591 0.8960611 48.86789       1.248849  46.64812       1.690279  51.53626       1.853226  -3.468109      1.792122  
1 1 1 7   33 7  o 23.75050 0.8831667 5.746023       0.4122025 6.211592       0.5490282 5.144558       0.6240333 2.259449       1.766333  
1 1 1 7   33 8  o 31.46657 0.8858636 9.852897       0.5548840 8.846385       0.7445897 11.11001       0.8321377 -3.581158      1.771727  
1 1 1 7   33 9  o 39.95104 0.9080597 16.03020       0.7250316 15.82840       1.003761  16.25035       1.048394  -0.5196075     1.816119  
1 1 1 7   33 10 o 23.52666 0.9346249 5.548120       0.4378058 6.325986       0.6370941 4.852106       0.6026431 3.125378       1.869250  
1 1 1 7   33 11 o 19.73608 0.9422658 3.921387       0.3681492 3.885386       0.5606987 3.948669       0.4881011 -0.1755600     1.884532  
1 1 1 7   33 12 o 60.38771 0.8353207 36.55647       1.007843  38.27688       1.465664  35.01330       1.388108  2.687775       1.670641  
1 1 1 7   33 13 o 9.013769 1.464747  0.8201703      0.2718202 1.226176       0.4035371 0.4829453      0.3677711 4.004176       2.929493  
1 1 1 7   33 14 o 55.45932 0.8033605 30.86700       0.8908389 31.81665       1.275284  29.96201       1.244936  1.666641       1.606721  
1 1 1 7   33 15 o 38.65549 0.7875815 14.73616       0.5978135 13.69991       0.7647347 16.36445       0.9586164 -3.411682      1.575163  
1 1 1 7   33 16 o 60.63954 1.087691  37.05970       1.319085  37.05696       1.856881  37.06250       1.874176  -0.1602173E-03 2.175383  
1 1 1 7   33 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   33 18 o 24.43701 1.295667  6.007444       0.6332445 6.007444       0.6332445 ?              ?         ?              ?         
1 1 1 7   33 19 f 45.87726 0.9407929 21.10122       0.8616520 22.62411       1.264031  19.77933       1.177668  3.080276       1.881586  
1 1 1 7   33 20 o 38.55787 0.9010112 14.86549       0.6928399 16.25120       1.026039  13.70407       0.9393387 3.283905       1.802022  
1 1 1 7   33 21 o 59.06695 1.523970  0.000000       0.000000  ?              ?         35.17885       1.800326  ?              ?         
1 1 1 7   34 0  o 23.99891 0.8539180 5.756761       0.4087987 5.358801       0.5547428 6.229696       0.6047456 -1.804895      1.707836  
1 1 1 7   34 1  o 58.56660 0.8141037 34.44052       0.9533475 34.28605       1.332102  34.60272       1.364973  -0.2643700     1.628207  
1 1 1 7   34 2  o 46.76224 0.7539591 21.78760       0.7025842 24.06706       1.047230  19.92180       0.9474537 4.415497       1.507918  
1 1 1 7   34 3  o 62.94012 0.8467799 39.75855       1.065171  38.93293       1.473399  40.66247       1.541677  -1.361118      1.693560  
1 1 1 7   34 4  o 59.31841 0.8190516 35.19253       0.9692466 33.42002       1.314853  37.30194       1.434376  -3.250477      1.638103  
1 1 1 7   34 5  o 45.02318 0.7559965 20.34509       0.6805513 20.96050       0.9644601 19.73480       0.9604421 1.360519       1.511993  
1 1 1 7   34 6  o 32.68166 0.7533925 10.65860       0.4910543 9.831650       0.6659036 11.64432       0.7270265 -2.763039      1.506785  
1 1 1 7   34 7  o 36.70026 0.7444017 13.48521       0.5454835 14.62957       0.7908682 12.44683       0.7533584 2.967514       1.488803  
1 1 1 7   34 8  o 61.43256 0.8438891 37.91206       1.036832  38.13483       1.466477  37.68939       1.466128  0.3624763      1.687778  
1 1 1 7   34 9  o 65.34741 0.8719293 42.65418       1.135519  46.02306       1.695555  39.91447       1.529054  4.640507       1.743859  
1 1 1 7   34 10 o 32.98797 0.7506139 10.91323       0.4946083 10.74244       0.6804567 11.10455       0.7201973 -0.5418549     1.501228  
1 1 1 7   34 11 o 70.95947 0.9787438 50.67553       1.378937  50.72582       2.079228  50.63604       1.842402  0.7553101E-02  1.957488  
1 1 1 7   34 12 o 61.58029 1.386246  0.000000       0.000000  ?              ?         38.17749       1.707309  ?              ?         
1 1 1 7   34 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   34 14 o 29.80256 1.037387  8.988761       0.5943633 9.096828       0.7468004 8.802025       0.9816808 0.5543480      2.074774  
1 1 1 7   34 15 o 66.71596 1.160124  44.82898       1.545467  43.35611       2.114216  46.51911       2.264786  -2.327896      2.320248  
1 1 1 7   34 16 o 12.98862 1.399429  1.711285       0.3630676 1.686842       0.5246776 1.733742       0.5029231 -0.1880884     2.798857  
1 1 1 7   34 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   35 0  o 38.85127 0.7460054 15.15049       0.5795894 15.04837       0.8120522 15.25652       0.8274921 -0.2650681     1.492011  
1 1 1 7   35 1  o 48.14722 0.7688908 23.06677       0.7370476 25.88664       1.104907  20.80599       0.9893292 5.254280       1.537782  
1 1 1 7   35 2  o 7.019091 1.703182  0.4447142      0.2977097 0.6316567      0.4166644 0.2497358      0.4255258 1.678322       3.406364  
1 1 1 7   35 3  o 25.50855 0.8143582 6.541505       0.4147448 7.026556       0.5894408 6.065893       0.5836772 1.881845       1.628716  
1 1 1 7   35 4  o 44.30737 0.7586778 19.71135       0.6721156 20.34054       0.9548442 19.09345       0.9462440 1.405670       1.517356  
1 1 1 7   35 5  o 37.43456 1.073494  14.36315       0.6870607 14.59069       0.7920712 13.67163       1.380828  1.379860       2.146988  
1 1 1 7   35 6  o 80.22107 1.482502  65.28381       2.377292  67.75492       3.428163  62.99469       3.299523  2.919327       2.965003  
1 1 1 7   35 7  f 23.61130 1.592234  5.671356       0.7515696 5.607993       1.045317  5.739163       1.081359  -0.2636395     3.184469  
1 1 1 7   35 8  o 85.89775 1.963994  75.81187       3.142870  75.93674       3.813495  75.54745       5.549051  1.042427       3.927987  
1 1 1 7   35 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 7   35 10 o 35.50272 1.322214  0.000000       0.000000  ?              ?         12.68221       0.9388436 ?              ?         
1 1 1 7   35 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   0  0  o 550.2985 8.132662  3039.276       89.42073  3038.176       126.4365  3040.377       126.4835  -0.000000      0.000000  
1 1 1 8   0  1  o 313.4041 4.611963  982.3539       28.83349  954.0779       39.45856  1014.751       42.23646  -0.000000      0.000000  
1 1 1 8   0  2  o 502.7189 7.493236  2529.148       75.13482  2442.475       102.6673  2629.098       110.2509  -0.000000      0.000000  
1 1 1 8   0  3  f 344.7880 5.074110  1191.036       34.95262  1180.839       49.01513  1201.586       49.85654  -0.000000      0.000000  
1 1 1 8   0  4  o 330.7791 4.865995  1095.343       32.13698  1073.834       44.44839  1118.903       46.51941  -0.000000      0.000000  
1 1 1 8   0  5  o 210.6818 3.118233  444.5563       13.12612  445.7374       18.61794  443.3890       18.50881  -0.000000      0.000000  
1 1 1 8   0  6  o 41.04323 0.8020405 16.87955       0.6571524 17.15740       0.9395326 16.61342       0.9194989 -0.000000      0.000000  
1 1 1 8   0  7  o 481.0011 7.078850  2318.752       68.00110  2349.893       97.93037  2289.756       94.49762  -0.000000      0.000000  
1 1 1 8   0  8  o 321.7041 6.697429  1036.918       43.05021  1036.918       43.05021  1036.918       43.05021  -0.000000      0.000000  
1 1 1 8   0  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   0  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   0  11 o 97.62700 2.162417  95.45725       4.217598  95.45725       4.217598  95.45725       4.217598  -0.000000      0.000000  
1 1 1 8   0  12 o 29.03692 0.7485978 8.444977       0.4323571 8.732165       0.6388429 8.202267       0.5872951 -0.000000      0.000000  
1 1 1 8   0  13 o 214.9262 3.183889  462.5524       13.66853  456.5371       19.05289  468.9312       19.62001  -0.000000      0.000000  
1 1 1 8   0  14 o 531.4212 7.818836  2829.731       82.89042  2750.123       113.4825  2920.780       121.3635  -0.000000      0.000000  
1 1 1 8   0  15 f 229.8869 4.825946  529.9708       22.12866  519.0306       30.59232  541.9768       32.04770  -0.000000      0.000000  
1 1 1 8   0  16 o 254.5975 3.758883  649.3630       19.11721  642.0140       26.70128  657.0922       27.38326  -0.000000      0.000000  
1 1 1 8   0  17 o 147.7292 2.221192  217.8734       6.538037  209.4126       8.860399  227.9868       9.687181  -0.000000      0.000000  
1 1 1 8   0  18 o 21.74922 0.8184755 4.734103       0.3524981 5.226650       0.5270516 4.335470       0.4741496 -0.000000      0.000000  
1 1 1 8   0  19 o 183.0858 2.724754  335.8377       9.967230  336.9378       14.14931  334.7541       14.04288  -0.000000      0.000000  
1 1 1 8   0  20 o 36.01225 0.8058744 12.86458       0.5756862 11.24335       0.7713727 14.90288       0.8649207 -0.000000      0.000000  
1 1 1 8   0  21 o 60.11446 1.038710  35.32379       1.226010  40.99088       1.966145  31.71839       1.568239  -0.000000      0.000000  
1 1 1 8   0  22 o 183.8528 2.744434  336.0574       10.01361  317.0025       13.27198  361.2400       15.25749  -0.000000      0.000000  
1 1 1 8   0  23 o 146.1465 2.198259  213.9087       6.416786  217.0410       9.216748  210.9625       8.939034  -0.000000      0.000000  
1 1 1 8   0  24 o 346.2407 5.107468  1203.909       35.32893  1192.846       49.46500  1215.428       50.47564  -0.000000      0.000000  
1 1 1 8   0  25 o 44.86137 0.8960941 19.72532       0.7923156 23.10427       1.248276  17.44552       1.025339  -0.000000      0.000000  
1 1 1 8   0  26 o 253.5227 3.752370  644.7393       19.00499  639.1306       26.61283  650.5764       27.14943  -0.000000      0.000000  
1 1 1 8   0  27 o 205.6196 3.057307  423.9301       12.55972  426.3850       17.87837  421.5381       17.64812  -0.000000      0.000000  
1 1 1 8   0  28 o 135.6673 2.055017  184.4074       5.569399  186.0912       7.960514  182.7931       7.794741  -0.000000      0.000000  
1 1 1 8   0  29 o 243.8035 3.615646  596.6019       17.61061  591.3026       24.66902  602.1091       25.14821  -0.000000      0.000000  
1 1 1 8   0  30 o 124.0303 1.896059  153.8220       4.689895  148.6836       6.403638  159.7668       6.887824  -0.000000      0.000000  
1 1 1 8   0  31 o 81.69701 1.322311  66.87926       2.158022  66.87451       3.060967  66.88396       3.042921  -0.000000      0.000000  
1 1 1 8   0  32 o 18.94259 1.046948  3.668917       0.3866031 3.563791       0.5915471 3.747296       0.5107806 -0.000000      0.000000  
1 1 1 8   0  33 f 53.52247 0.9980560 28.59132       1.063003  30.16204       1.585005  27.30729       1.433076  -0.000000      0.000000  
1 1 1 8   0  34 o 52.80027 0.9926426 27.90127       1.044618  28.70738       1.533402  27.20318       1.426961  -0.000000      0.000000  
1 1 1 8   0  35 o 138.0164 2.098369  191.1340       5.785556  189.2031       8.107338  193.1376       8.258789  -0.000000      0.000000  
1 1 1 8   0  36 o 16.71356 1.150753  2.837564       0.3744504 3.401709       0.5641668 2.393358       0.5006164 -0.000000      0.000000  
1 1 1 8   0  37 o 42.79924 0.9237476 18.22865       0.7843019 19.70631       1.191303  17.09822       1.041976  -0.000000      0.000000  
1 1 1 8   0  38 o 64.34119 1.130391  41.51467       1.452545  41.03296       2.054444  41.99616       2.053974  -0.000000      0.000000  
1 1 1 8   0  39 o 57.72948 1.063614  33.40037       1.225736  32.29169       1.708497  34.57627       1.759534  -0.000000      0.000000  
1 1 1 8   0  40 o 25.54285 1.348705  7.167527       0.6158780 8.256243       0.7688493 5.217996       1.028843  -0.000000      0.000000  
1 1 1 8   0  41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   0  42 o 3.930856 2.652245  -0.2185105     0.5834999 -0.2185105     0.5834999 -0.2185105     0.5834999 -0.000000      0.000000  
1 1 1 8   0  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   0  44 o 57.89931 1.094213  33.65997       1.264324  33.43612       1.816282  33.87040       1.761046  -0.000000      0.000000  
1 1 1 8   0  45 o 50.23498 1.033591  25.36415       1.035399  24.68112       1.485823  26.00895       1.443639  -0.000000      0.000000  
1 1 1 8   0  46 o 14.89538 1.888098  2.677840       0.4410667 1.731200       0.7037054 3.290353       0.5660520 -0.000000      0.000000  
1 1 1 8   0  47 o 17.87732 1.456538  3.439683       0.4800940 2.707664       0.7409539 3.969390       0.6303003 -0.000000      0.000000  
1 1 1 8   0  48 o 55.99381 1.103158  31.42624       1.231690  29.45101       1.698193  33.61863       1.789107  -0.000000      0.000000  
1 1 1 8   0  49 o 33.72532 1.059087  11.20075       0.6983863 12.84696       1.124141  10.16598       0.8912501 -0.000000      0.000000  
1 1 1 8   0  50 o 10.46003 2.314041  1.285755       0.4595547 2.236292       0.7513882 0.7177079      0.5808610 -0.000000      0.000000  
1 1 1 8   0  51 o 4.562826 2.117876  -0.8449085E-01 0.4493731 0.1516825      0.7413251 -0.2216838     0.5650139 -0.000000      0.000000  
1 1 1 8   0  52 f 40.65173 1.044726  16.68924       0.8434830 15.94541       1.232403  17.34472       1.156904  -0.000000      0.000000  
1 1 1 8   0  53 o 56.81350 1.149928  32.46550       1.301503  32.65116       1.905898  32.30327       1.781590  -0.000000      0.000000  
1 1 1 8   0  54 f 10.38045 2.719730  1.456348       0.5128254 1.490737       0.8403818 1.435945       0.6473230 -0.000000      0.000000  
1 1 1 8   0  55 o 56.82205 1.178084  32.49782       1.332566  32.72390       1.961881  32.30419       1.815666  -0.000000      0.000000  
1 1 1 8   0  56 o 6.479491 2.644921  0.5189278      0.5281501 0.7612237      0.8694040 0.3772131      0.6648992 -0.000000      0.000000  
1 1 1 8   0  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   1  0  o 169.6272 1.782720  287.7276       6.046657  290.9431       8.658792  284.6671       8.447645  1.849030       3.565439  
1 1 1 8   1  1  o 440.4844 4.592790  1938.735       40.38701  2008.359       59.30025  1878.502       55.15634  14.69717       9.185579  
1 1 1 8   1  2  o 428.9407 4.452697  1841.893       38.19532  1829.924       53.58693  1854.254       54.45625  -2.827972      8.905395  
1 1 1 8   1  3  o 365.5281 3.798142  1337.084       27.76503  1329.048       39.02098  1345.324       39.51505  -2.222687      7.596283  
1 1 1 8   1  4  f 415.7151 5.294027  1724.475       41.27439  1748.729       72.49435  1712.842       50.20618  4.100342       10.58805  
1 1 1 8   1  5  o 283.5652 3.629595  803.3521       19.33184  808.3813       33.79243  800.9055       23.56964  1.251526       7.259189  
1 1 1 8   1  6  o 45.60558 0.8507787 19.66372       0.7506505 16.56160       0.9284250 25.51963       1.275601  -9.820648      1.701557  
1 1 1 8   1  7  o 129.8628 1.957644  168.6118       5.083128  165.9473       7.088894  171.4317       7.292694  -2.110870      3.915287  
1 1 1 8   1  8  f 482.8698 6.176717  2310.512       55.29836  2268.402       66.40829  2405.746       99.86691  -13.82404      12.35343  
1 1 1 8   1  9  o 300.5675 3.125959  902.4398       18.76341  929.4661       27.43722  878.6959       25.71716  8.435059       6.251919  
1 1 1 8   1  10 o 277.9750 2.896702  768.0486       16.01380  818.6796       24.22912  728.7759       21.33906  16.15417       5.793405  
1 1 1 8   1  11 o 375.2031 4.829176  1385.179       33.33654  1348.678       39.71239  1472.276       61.34378  -16.24796      9.658353  
1 1 1 8   1  12 o 123.3640 1.865255  152.2181       4.601933  152.6977       6.540758  151.7479       6.475958  0.3846588      3.730510  
1 1 1 8   1  13 o 531.2106 7.821594  2833.010       83.05746  2782.974       115.3090  2886.964       119.7381  -9.696655      15.64319  
1 1 1 8   1  14 o 565.9877 7.607860  3215.220       84.29494  3235.924       133.8521  3201.612       108.5173  2.471008       15.21572  
1 1 1 8   1  15 o 470.3064 4.884348  2216.755       45.94209  2224.161       65.19161  2209.448       64.75445  1.557068       9.768697  
1 1 1 8   1  16 o 189.7315 2.149099  360.3373       8.077740  361.4694       10.72035  358.8503       12.28643  0.7029419      4.298198  
1 1 1 8   1  17 o 372.7742 3.874312  1392.149       28.88419  1398.028       41.01835  1386.367       40.68058  1.558472       7.748623  
1 1 1 8   1  18 o 342.4370 3.561560  1173.974       24.37796  1195.747       35.19820  1153.902       33.79585  6.084900       7.123120  
1 1 1 8   1  19 o 378.2402 3.933614  1433.614       29.74681  1413.952       41.42560  1454.546       42.74195  -5.337128      7.867227  
1 1 1 8   1  20 o 491.2263 5.123850  2423.182       50.31355  2469.705       72.56372  2380.106       69.82356  9.028503       10.24770  
1 1 1 8   1  21 o 188.4741 1.982132  355.1499       7.465422  346.8462       10.30783  364.3107       10.82667  -4.625305      3.964264  
1 1 1 8   1  22 o 151.6855 1.608685  229.8949       4.874266  224.0614       6.697555  236.4638       7.107174  -4.082870      3.217370  
1 1 1 8   1  23 o 94.60208 1.044324  89.44444       1.974728  91.53049       2.853017  87.52596       2.736031  2.115562       2.088649  
1 1 1 8   1  24 o 45.05344 0.6382139 19.75983       0.5669658 17.06495       0.7314531 23.81590       0.8973665 -7.491261      1.276428  
1 1 1 8   1  25 o 241.4085 2.522740  583.7281       12.18004  581.9942       17.16926  585.4848       17.28163  -0.7203827     5.045480  
1 1 1 8   1  26 o 132.8575 1.421884  176.6010       3.778019  175.4771       5.315219  177.7486       5.371071  -0.8540802     2.843767  
1 1 1 8   1  27 o 172.7087 1.821676  298.5309       6.291413  301.6082       8.992741  295.5806       8.805032  1.741302       3.643351  
1 1 1 8   1  28 f 73.67660 0.8587287 54.13426       1.262723  56.71424       1.860310  51.93004       1.719509  3.245331       1.717457  
1 1 1 8   1  29 o 215.9137 2.263841  467.0996       9.775413  469.5285       13.90624  464.7271       13.74423  1.106781       4.527682  
1 1 1 8   1  30 o 186.6476 1.967511  348.9094       7.343386  352.8348       10.50201  345.1539       10.27204  2.050354       3.935022  
1 1 1 8   1  31 f 33.69001 0.6164367 11.33144       0.4149084 10.65333       0.5739400 12.07376       0.6004989 -2.107777      1.232873  
1 1 1 8   1  32 o 110.2610 1.204759  121.6280       2.655765  119.6202       3.695157  123.7733       3.819569  -1.879868      2.409519  
1 1 1 8   1  33 o 186.1705 1.964928  347.5225       7.314703  351.5976       10.47363  343.6422       10.22013  2.123245       3.929856  
1 1 1 8   1  34 o 56.26099 0.7226188 31.61394       0.8121423 32.74347       1.184150  30.61075       1.115966  1.893780       1.445238  
1 1 1 8   1  35 o 82.54405 0.9471751 67.73363       1.555994  63.80508       2.079260  72.73388       2.345783  -5.399574      1.894350  
1 1 1 8   1  36 o 46.55552 0.6686471 21.49571       0.6195771 19.76521       0.8281159 23.69610       0.9338016 -4.218643      1.337294  
1 1 1 8   1  37 f 76.29693 0.8944626 58.00118       1.360420  55.09312       1.835743  61.54385       2.026170  -4.219421      1.788925  
1 1 1 8   1  38 o 81.11040 0.9391096 65.87273       1.523395  66.08540       2.163233  65.66349       2.145685  0.2592239      1.878219  
1 1 1 8   1  39 o 41.54350 0.9371069 17.27757       0.7782162 16.51956       1.091084  18.06251       1.110295  -1.856037      1.874214  
1 1 1 8   1  40 o 52.73827 1.019737  27.26084       1.059511  31.36170       1.684723  24.57773       1.362731  6.410442       2.039474  
1 1 1 8   1  41 o 31.38491 0.6606818 9.859370       0.4145994 9.825596       0.5926343 9.891745       0.5802268 -0.1059589     1.321364  
1 1 1 8   1  42 o 43.76960 0.7553660 18.96736       0.6464183 18.21284       0.8236461 20.17748       1.043086  -2.231087      1.510732  
1 1 1 8   1  43 o 29.16376 0.9660409 8.543640       0.5620555 9.161104       0.7903565 7.911879       0.7994544 2.142517       1.932082  
1 1 1 8   1  44 o 42.08376 0.8241166 17.77783       0.6652589 17.62970       1.108622  17.86119       0.8316338 -0.2981644     1.648233  
1 1 1 8   1  45 o 82.83872 0.9718037 68.69377       1.607870  71.17456       2.349323  66.50793       2.205253  2.801514       1.943607  
1 1 1 8   1  46 o 51.02987 0.7324191 26.07437       0.7472813 25.54103       1.041340  26.64063       1.073002  -1.074619      1.464838  
1 1 1 8   1  47 o 45.40860 0.7146767 20.50707       0.6466209 22.60430       0.9654479 18.80097       0.8707818 4.178928       1.429353  
1 1 1 8   1  48 o 38.95232 0.6985614 15.17285       0.5435879 15.80048       0.7923145 14.61472       0.7471693 1.517708       1.397123  
1 1 1 8   1  49 o 13.67815 1.164821  1.882745       0.3182469 1.996084       0.4508165 1.770155       0.4493254 0.8256187      2.329642  
1 1 1 8   1  50 o 25.25291 0.8018705 6.381853       0.4041653 5.832641       0.5584931 6.985721       0.5856238 -2.279480      1.603741  
1 1 1 8   1  51 o 29.93831 0.7595450 8.992217       0.4542883 9.527220       0.6451294 8.465977       0.6398250 1.771673       1.519090  
1 1 1 8   1  52 o 31.65215 0.7635788 10.02548       0.4827992 9.539016       0.6636597 10.57235       0.7036567 -1.626694      1.527158  
1 1 1 8   1  53 o 24.60851 0.8465397 6.077849       0.4164657 6.332153       0.5949446 5.833508       0.5831746 1.011168       1.693079  
1 1 1 8   1  54 o 12.37090 1.550260  1.618354       0.3618087 0.8428555      0.4954918 2.504140       0.5295545 -6.766723      3.100520  
1 1 1 8   1  55 o 6.751477 1.790977  0.2444089      0.3546124 0.6507437      0.5102509 -0.1351925     0.4931801 2.792916       3.581955  
1 1 1 8   1  56 f 55.35373 1.176026  30.95731       1.300486  29.17986       1.833933  32.75520       1.844442  -3.226429      2.352053  
1 1 1 8   1  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   2  0  o 460.9175 4.808016  2126.055       44.28351  2162.105       64.18951  2093.315       61.17208  7.429749       9.616033  
1 1 1 8   2  1  o 400.4598 5.107093  1608.848       38.60438  1598.099       66.60172  1614.286       47.37434  -2.225861      10.21419  
1 1 1 8   2  2  o 586.6846 8.643294  3446.365       101.1470  3588.345       149.6819  3327.047       137.2165  22.05475       17.28659  
1 1 1 8   2  3  o 352.9730 5.188948  1245.818       36.57980  1281.255       53.43621  1214.568       50.18044  9.414612       10.37790  
1 1 1 8   2  4  o 178.9974 2.657121  318.8982       9.471257  337.2367       14.20606  304.2244       12.70761  9.214157       5.314242  
1 1 1 8   2  5  f 381.0018 4.857633  1450.215       34.72664  1444.246       42.28758  1462.576       60.85584  -2.243134      9.715265  
1 1 1 8   2  6  o 448.1584 4.649937  2005.743       41.58381  1940.956       56.58931  2081.792       61.31083  -15.67169      9.299874  
1 1 1 8   2  7  o 592.5886 6.183706  3518.981       73.28168  3522.601       102.9970  3515.269       104.2870  0.6339722      12.36741  
1 1 1 8   2  8  o 515.8582 5.354730  2655.614       55.05945  2554.529       74.33200  2778.502       81.95686  -21.62863      10.70946  
1 1 1 8   2  9  o 476.3186 4.940653  2271.379       47.05558  2248.583       65.71672  2295.365       67.40881  -4.894043      9.881307  
1 1 1 8   2  10 o 80.53766 0.9801303 64.22472       1.546677  67.97985       2.477550  61.82671       1.979864  3.819038       1.960261  
1 1 1 8   2  11 o 621.8175 6.458654  3860.240       80.02995  3695.885       107.8216  4061.874       119.4246  -29.26245      12.91731  
1 1 1 8   2  12 o 194.3511 2.877398  377.8637       11.18262  381.8954       15.99216  374.0062       15.64284  2.027176       5.754797  
1 1 1 8   2  13 o 472.4336 4.907435  2233.688       46.32818  2182.864       63.93338  2289.882       67.22648  -11.28253      9.814870  
1 1 1 8   2  14 o 156.0690 2.048358  235.9050       5.760693  226.4426       6.741442  261.5149       11.09064  -11.20978      4.096715  
1 1 1 8   2  15 o 444.7020 6.544464  1982.798       58.13305  1930.686       79.84528  2041.583       84.80366  -12.35825      13.08893  
1 1 1 8   2  16 o 89.83205 1.400249  80.11887       2.501165  75.52843       3.328263  86.07485       3.791128  -5.867538      2.800497  
1 1 1 8   2  17 f 106.2915 1.454790  104.2116       2.647967  130.3742       5.661898  96.88707       2.995787  15.73515       2.909581  
1 1 1 8   2  18 f 331.0375 3.443674  1096.742       22.78200  1073.997       31.48532  1121.737       33.00567  -7.183838      6.887349  
1 1 1 8   2  19 o 202.3822 2.120341  409.7434       8.579932  415.5491       12.31193  404.2618       11.96329  2.784348       4.240682  
1 1 1 8   2  20 o 117.4585 1.267038  137.9700       2.975969  139.9277       4.257428  136.0994       4.161523  1.628845       2.534075  
1 1 1 8   2  21 o 241.8750 2.525606  584.7116       12.19704  567.3802       16.68061  604.6254       17.88024  -7.675766      5.051213  
1 1 1 8   2  22 o 153.2556 1.623076  234.9062       4.972959  238.6242       7.153585  231.4291       6.917981  2.344330       3.246153  
1 1 1 8   2  23 o 285.2007 2.971755  813.6962       16.92788  791.8077       23.22683  838.4944       24.72238  -8.150116      5.943511  
1 1 1 8   2  24 o 163.0542 1.723630  266.0215       5.620298  268.5099       8.019758  263.6198       7.878721  1.497437       3.447261  
1 1 1 8   2  25 o 132.9084 1.421891  176.2644       3.771143  183.5165       5.561035  170.0899       5.131256  5.045456       2.843782  
1 1 1 8   2  26 o 47.62217 0.6593121 22.58791       0.6264988 21.32643       0.8512994 24.07832       0.9253291 -2.888809      1.318624  
1 1 1 8   2  27 o 91.68069 1.022469  83.84144       1.870720  87.55727       2.757890  80.67469       2.545992  3.751190       2.044939  
1 1 1 8   2  28 o 261.2672 2.728808  683.9039       14.25129  672.0615       19.77055  696.7126       20.56146  -4.691711      5.457616  
1 1 1 8   2  29 o 19.89561 0.7102746 3.952899       0.2815524 3.494986       0.3898268 4.452253       0.4070841 -2.405550      1.420549  
1 1 1 8   2  30 o 159.5877 1.692625  254.9364       5.400997  251.7779       7.534652  258.2746       7.746060  -2.029678      3.385250  
1 1 1 8   2  31 o 62.65240 0.7744982 39.21764       0.9697284 40.46484       1.405733  38.08525       1.339471  1.898056       1.548996  
1 1 1 8   2  32 o 200.8587 2.113444  404.4034       8.486318  411.3083       12.22094  397.9730       11.79341  3.298843       4.226889  
1 1 1 8   2  33 o 117.0929 1.273177  137.2707       2.981412  138.0861       4.244883  136.4768       4.188391  0.6852112      2.546355  
1 1 1 8   2  34 o 74.25487 0.8691848 55.15076       1.290417  54.19730       1.797613  56.16447       1.853522  -1.323013      1.738370  
1 1 1 8   2  35 o 81.75979 0.9411826 66.85748       1.538277  65.37537       2.135342  68.45643       2.217910  -1.881409      1.882365  
1 1 1 8   2  36 f 29.65937 0.6268682 8.686536       0.3690938 10.29412       0.5566171 7.424947       0.4930922 4.835127       1.253736  
1 1 1 8   2  37 o 56.78519 1.045449  32.29247       1.186856  32.29856       1.702515  32.28670       1.655411  0.8117676E-02  2.090899  
1 1 1 8   2  38 o 41.51048 0.9365942 17.27213       0.7764722 16.83663       1.119610  17.67571       1.077779  -1.012745      1.873188  
1 1 1 8   2  39 o 50.17361 0.7019101 25.18739       0.7042403 24.84895       0.9854894 25.54058       1.006743  -0.6883965     1.403820  
1 1 1 8   2  40 o 61.48948 0.7803451 37.82185       0.9591343 36.96739       1.329845  38.74821       1.384657  -1.445244      1.560690  
1 1 1 8   2  41 f 104.6862 1.164048  109.1624       2.424639  116.7841       3.659737  103.2000       3.236966  6.453506       2.328095  
1 1 1 8   2  42 o 33.82369 0.9199857 11.47154       0.6217840 11.73595       0.8676418 11.19238       0.8915148 0.8053055      1.839971  
1 1 1 8   2  43 o 37.72300 0.6751740 14.14621       0.5075801 15.73461       0.7544388 12.83263       0.6860747 3.842300       1.350348  
1 1 1 8   2  44 f 113.5575 1.782423  129.5513       4.048149  129.5513       4.048149  ?              ?         ?              ?         
1 1 1 8   2  45 o 53.53811 1.048659  28.73220       1.120641  28.32523       1.532481  29.19995       1.642930  -0.8042374     2.097319  
1 1 1 8   2  46 o 47.17298 0.7172719 22.29239       0.6767060 22.34493       0.9549789 22.23941       0.9590478 0.1122017      1.434544  
1 1 1 8   2  47 o 41.34350 0.7063695 17.09402       0.5834206 17.76780       0.8500776 16.49405       0.8021680 1.535931       1.412739  
1 1 1 8   2  48 o 48.58033 0.7403755 23.50497       0.7169766 25.54708       1.067899  21.82899       0.9674439 3.816391       1.480751  
1 1 1 8   2  49 o 77.28935 0.9378918 59.94178       1.449594  59.16312       2.030153  60.75169       2.070512  -1.022118      1.875784  
1 1 1 8   2  50 o 37.61708 0.7313652 14.11357       0.5483018 12.57927       0.7485784 15.88946       0.8053634 -4.392933      1.462730  
1 1 1 8   2  51 o 35.44515 0.7390167 12.54545       0.5226029 11.42925       0.7153381 13.82314       0.7653370 -3.370377      1.478033  
1 1 1 8   2  52 o 9.078959 1.740180  0.8527323      0.3313473 0.5986220      0.4592866 1.128543       0.4784952 -2.534175      3.480360  
1 1 1 8   2  53 o 28.60259 0.7950630 8.173030       0.4535953 7.415428       0.6199892 9.045609       0.6653741 -2.842499      1.590126  
1 1 1 8   2  54 o 46.73800 1.009177  21.80038       0.8612248 22.43917       1.592911  21.53652       1.023755  0.8397369      2.018354  
1 1 1 8   2  55 o 30.39819 1.028221  9.196989       0.6166860 8.694551       0.7997674 9.933814       0.9685110 -1.998755      2.056441  
1 1 1 8   2  56 o 31.48610 0.8343497 9.963368       0.5253059 9.980770       0.7360235 9.945303       0.7499620 0.5925941E-01  1.668699  
1 1 1 8   2  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   3  0  o 278.2591 4.097334  774.0587       22.77614  756.1191       31.32998  794.1664       33.16931  -6.821411      8.194669  
1 1 1 8   3  1  o 458.8230 6.743421  2103.456       61.71287  2021.478       83.65729  2201.326       91.40708  -19.49744      13.48684  
1 1 1 8   3  2  o 358.9136 4.514732  1304.003       31.32204  1349.255       39.88917  1231.233       50.58401  16.53058       9.029465  
1 1 1 8   3  3  o 638.9054 7.204208  4089.585       91.06544  4115.919       139.5913  4070.074       120.1551  3.332336       14.40842  
1 1 1 8   3  4  o 443.1801 4.600727  1964.003       40.73895  1918.953       56.14641  2014.090       59.20213  -10.70779      9.201453  
1 1 1 8   3  5  o 284.3986 2.963873  808.9516       16.85380  819.2090       24.17462  799.2513       23.50905  3.505066       5.927746  
1 1 1 8   3  6  o 67.85912 0.8417563 45.88859       1.126348  46.99934       1.755292  45.11109       1.468576  1.390846       1.683513  
1 1 1 8   3  7  o 466.7210 4.848732  2178.857       45.21432  2133.966       62.30978  2228.782       65.71114  -10.12552      9.697464  
1 1 1 8   3  8  o 210.5496 2.208560  442.5833       9.286680  428.6095       12.72489  458.5074       13.58385  -7.096222      4.417120  
1 1 1 8   3  9  f 305.8624 3.181298  935.7966       19.45529  946.5269       27.90725  925.6506       27.13680  3.407745       6.362596  
1 1 1 8   3  10 o 567.4585 5.915994  3209.720       66.83113  3059.804       89.52131  3398.458       100.4463  -29.70148      11.83199  
1 1 1 8   3  11 o 350.9329 4.211930  1231.340       29.53000  1266.518       42.98198  1199.891       40.63984  9.469788       8.423861  
1 1 1 8   3  12 o 453.3779 4.709987  2056.500       42.66906  2007.556       58.84985  2110.749       61.95625  -11.34283      9.419973  
1 1 1 8   3  13 o 251.9879 2.630243  634.6757       13.24510  619.9614       18.29372  650.8873       19.20208  -6.129639      5.260487  
1 1 1 8   3  14 o 196.6461 2.061361  386.3011       8.097383  376.4865       11.12931  397.3403       11.80324  -5.297974      4.122722  
1 1 1 8   3  15 o 70.63066 0.8186419 49.86248       1.156035  48.84766       1.609507  50.94392       1.661492  -1.483803      1.637284  
1 1 1 8   3  16 o 309.2602 3.216890  956.8929       19.88518  976.2702       28.72429  939.0601       27.55586  6.000488       6.433780  
1 1 1 8   3  17 o 206.3242 4.328445  426.2299       17.86126  426.2299       17.86126  ?              ?         ?              ?         
1 1 1 8   3  18 o 316.1694 4.655815  1002.282       29.42508  1020.626       42.44242  985.3035       40.83104  5.546143       9.311630  
1 1 1 8   3  19 o 113.2842 1.725348  128.2769       3.905987  125.5344       5.396557  131.2943       5.660706  -2.539459      3.450696  
1 1 1 8   3  20 o 163.2918 2.082221  270.4493       6.588837  251.6124       10.52798  282.5778       8.447756  -9.511688      4.164442  
1 1 1 8   3  21 o 61.62640 0.7457243 37.92886       0.9182593 39.18967       1.334461  36.79499       1.265511  1.942486       1.491449  
1 1 1 8   3  22 o 86.73608 0.9688923 74.73788       1.671881  80.03661       2.525765  70.60571       2.230469  5.434296       1.937785  
1 1 1 8   3  23 o 91.32116 1.012384  83.41297       1.849006  83.69696       2.624547  83.13313       2.605338  0.3085480      2.024767  
1 1 1 8   3  24 o 237.2614 2.480264  563.1102       11.75749  549.5107       16.19638  578.2609       17.09521  -6.039078      4.960528  
1 1 1 8   3  25 o 343.4930 3.576665  1183.647       24.56711  1195.497       35.12707  1172.301       34.37154  3.351196       7.153330  
1 1 1 8   3  26 o 141.5139 1.508717  199.9502       4.262261  207.4087       6.259312  193.5017       5.820118  4.906799       3.017434  
1 1 1 8   3  27 f 120.1018 1.297017  144.1094       3.111807  148.4792       4.535217  140.2220       4.277593  3.433846       2.594034  
1 1 1 8   3  28 o 103.0074 1.133263  105.9679       2.331566  102.7808       3.198929  109.5796       3.405414  -3.297256      2.266525  
1 1 1 8   3  29 o 123.1264 1.327783  151.0159       3.257535  144.1382       4.385334  159.4830       4.865727  -6.221825      2.655566  
1 1 1 8   3  30 o 144.6122 1.542608  209.3578       4.461578  208.9903       6.298079  209.7280       6.321232  -0.2544861     3.085216  
1 1 1 8   3  31 o 78.77940 0.9095047 61.65423       1.425646  66.28138       2.152483  58.03810       1.902851  5.227280       1.819009  
1 1 1 8   3  32 f 122.7085 1.326895  150.7485       3.256400  150.2094       4.594447  151.2928       4.616120  -0.4407578     2.653790  
1 1 1 8   3  33 o 69.16226 0.8248703 47.56821       1.136137  44.87104       1.523594  50.94659       1.705176  -4.387947      1.649741  
1 1 1 8   3  34 o 54.97642 0.7195970 30.22354       0.7910035 29.56794       1.103187  30.91722       1.134778  -1.226387      1.439194  
1 1 1 8   3  35 f 103.7568 1.627325  107.9097       3.375435  109.4856       4.859308  106.4402       4.692246  1.457344       3.254651  
1 1 1 8   3  36 o 119.0238 1.837412  142.2653       4.373650  142.7645       6.224221  141.7784       6.147052  0.4078827      3.674824  
1 1 1 8   3  37 o 54.94009 0.7336605 30.13219       0.8049987 28.84928       1.102996  31.59435       1.177537  -2.495609      1.467321  
1 1 1 8   3  38 o 66.65300 0.8185067 43.74769       1.079312  49.36590       1.684136  39.83197       1.405995  7.139786       1.637013  
1 1 1 8   3  39 o 64.38650 0.8009677 41.49789       1.031405  41.67331       1.464789  41.32539       1.452542  0.2696228      1.601935  
1 1 1 8   3  40 o 82.40645 0.9577451 67.54758       1.570311  72.61482       2.371544  63.59135       2.095497  5.456993       1.915490  
1 1 1 8   3  41 f 59.37628 0.7698486 35.26256       0.9136727 36.29001       1.320264  34.31826       1.265718  1.657410       1.539697  
1 1 1 8   3  42 o 27.36209 0.6963472 7.495865       0.3804451 6.937659       0.5332785 8.074422       0.5429122 -2.076706      1.392694  
1 1 1 8   3  43 o 52.34982 0.7328689 27.42397       0.7670369 26.67711       1.067843  28.22009       1.102495  -1.471401      1.465738  
1 1 1 8   3  44 o 104.0859 1.526139  107.6827       3.058928  114.2020       5.130471  104.0869       3.810249  4.650276       3.052277  
1 1 1 8   3  45 o 39.75873 0.6881427 15.83086       0.5471883 15.92475       0.7754940 15.73777       0.7721989 0.2348862      1.376285  
1 1 1 8   3  46 o 34.47773 0.9628307 11.96691       0.6615999 12.75478       0.9201810 11.12378       0.9519129 2.369038       1.925661  
1 1 1 8   3  47 f 35.86726 0.8691986 12.98259       0.6187027 12.10404       0.9144936 13.72416       0.8401782 -2.267132      1.738397  
1 1 1 8   3  48 o 33.88730 0.7152422 11.50723       0.4847375 11.40878       0.6857694 11.60554       0.6852759 -0.2903748     1.430484  
1 1 1 8   3  49 o 31.78882 0.7343391 10.09410       0.4659456 9.279909       0.6398441 11.01333       0.6798689 -2.722122      1.468678  
1 1 1 8   3  50 o 90.10941 1.052444  81.61700       1.896477  80.86555       2.657429  82.39690       2.707313  -0.8407898     2.104888  
1 1 1 8   3  51 o 43.29879 0.7402717 18.71700       0.6396237 20.39751       0.9396417 17.26593       0.8731436 3.607552       1.480543  
1 1 1 8   3  52 o 30.93906 0.7775031 9.613729       0.4803422 10.22548       0.6788025 9.000151       0.6798117 1.980387       1.555006  
1 1 1 8   3  53 o 33.69431 1.131513  11.45899       0.7582180 11.20228       1.126744  11.67145       1.025024  -0.7193184     2.263027  
1 1 1 8   3  54 o 11.43117 1.633170  1.421213       0.3638321 1.915561       0.4982764 0.8566271      0.5324994 4.676932       3.266340  
1 1 1 8   3  55 o 18.94583 1.060108  3.599380       0.4001784 4.070526       0.5860438 3.187767       0.5477686 2.320351       2.120216  
1 1 1 8   3  56 o 20.04884 1.052971  4.058786       0.4208291 4.448343       0.5964284 3.672571       0.5938642 1.934031       2.105943  
1 1 1 8   3  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   4  0  o 74.32198 0.8394755 55.16496       1.246303  56.67387       1.816795  53.82373       1.712870  1.917267       1.678951  
1 1 1 8   4  1  o 524.0339 5.465547  2746.243       57.21473  2831.253       83.39666  2670.652       78.64034  15.27594       10.93109  
1 1 1 8   4  2  o 346.9468 3.605294  1204.459       25.01571  1211.195       35.58636  1197.879       35.17239  1.916351       7.210588  
1 1 1 8   4  3  o 349.2086 3.634264  1217.768       25.34081  1178.613       34.66294  1262.720       37.13976  -12.02594      7.268528  
1 1 1 8   4  4  o 618.6239 6.435300  3802.558       79.05718  3577.758       104.6091  4101.942       120.7215  -42.17267      12.87060  
1 1 1 8   4  5  o 543.0958 5.646407  2943.625       61.15575  2817.583       82.79481  3094.959       90.72240  -25.45062      11.29281  
1 1 1 8   4  6  o 426.8089 4.446119  1810.296       37.73415  1707.203       50.22135  1943.946       57.18196  -27.67358      8.892238  
1 1 1 8   4  7  o 396.4529 4.123946  1565.533       32.56416  1493.795       43.73844  1654.754       48.77795  -20.25879      8.247892  
1 1 1 8   4  8  o 484.9458 5.419688  2355.240       52.48088  2538.886       75.02451  2179.273       73.43922  37.06036       10.83938  
1 1 1 8   4  9  o 398.8006 4.782819  1592.291       38.14087  1607.158       54.55734  1578.079       53.34187  3.633545       9.565639  
1 1 1 8   4  10 o 230.0142 2.402328  528.6946       11.04135  516.7644       15.23104  541.9079       16.02916  -5.461304      4.804655  
1 1 1 8   4  11 f 465.5921 4.846696  2170.347       45.11684  2208.836       64.82269  2134.183       62.83350  7.992981       9.693393  
1 1 1 8   4  12 o 308.9875 3.211276  955.4652       19.84438  951.7915       27.94584  959.2018       28.18406  -1.197021      6.422552  
1 1 1 8   4  13 o 215.5767 2.253157  464.3891       9.704941  476.5813       14.10587  453.4306       13.37314  5.364502       4.506315  
1 1 1 8   4  14 o 207.5371 2.172317  430.7698       9.014213  425.2736       12.57156  436.5858       12.93213  -2.722687      4.344633  
1 1 1 8   4  15 o 185.0742 1.942346  342.4933       7.186453  348.2315       10.34676  337.1451       9.989038  2.992416       3.884693  
1 1 1 8   4  16 o 307.4816 3.197709  945.2255       19.63881  973.2993       28.66603  920.3948       26.95942  8.578644       6.395417  
1 1 1 8   4  17 o 59.42865 0.7334594 35.29021       0.8712910 34.44748       1.207958  36.20412       1.257945  -1.477760      1.466919  
1 1 1 8   4  18 f 251.3765 3.417020  623.2684       16.47503  599.9201       20.39366  667.1331       27.95281  -13.22478      6.834041  
1 1 1 8   4  19 o 157.2428 2.039859  246.2310       6.006017  244.0319       7.290895  250.8741       10.59403  -2.132797      4.079717  
1 1 1 8   4  20 o 435.1512 6.428370  1903.586       55.77750  1830.644       75.46671  1991.404       82.80569  -18.11801      12.85674  
1 1 1 8   4  21 o 39.96889 0.8198572 15.69207       0.6492233 18.24274       1.004548  13.86252       0.8507743 5.478516       1.639714  
1 1 1 8   4  22 o 307.5549 4.536447  950.0432       27.90062  941.8499       39.08829  958.5538       39.83724  -2.689148      9.072894  
1 1 1 8   4  23 o 116.0881 1.558290  129.9025       3.248486  146.0588       6.309197  124.0744       3.789375  9.436714       3.116580  
1 1 1 8   4  24 f 198.3075 2.082520  393.6679       8.259159  391.2800       11.60911  396.1151       11.75264  -1.216415      4.165041  
1 1 1 8   4  25 o 239.5255 2.504755  573.8096       11.98262  591.0414       17.50119  558.6034       16.44047  6.745667       5.009511  
1 1 1 8   4  26 f 78.29190 0.9873727 59.70119       1.490083  55.66684       1.846453  67.23470       2.523192  -7.380547      1.974745  
1 1 1 8   4  27 o 46.58813 0.6609355 21.58526       0.6140649 20.00036       0.8316820 23.48479       0.9104978 -3.739014      1.321871  
1 1 1 8   4  28 o 107.5172 1.175722  115.6440       2.527959  116.6363       3.605749  114.6848       3.545167  0.9066162      2.351445  
1 1 1 8   4  29 o 81.43179 0.9335073 66.29448       1.519675  67.70715       2.189045  64.98032       2.111349  1.673187       1.867015  
1 1 1 8   4  30 o 132.6461 1.423393  175.8651       3.771607  181.1458       5.498194  171.1718       5.183428  3.751938       2.846785  
1 1 1 8   4  31 o 42.12469 0.6385834 17.75056       0.5379319 17.83686       0.7557236 17.66191       0.7658793 0.2077980      1.277167  
1 1 1 8   4  32 o 123.0965 1.435690  152.1832       3.518962  146.4332       5.168453  157.1521       4.804575  -4.366730      2.871381  
1 1 1 8   4  33 o 105.6339 1.653960  111.4638       3.485501  106.7524       4.730295  117.0604       5.155607  -4.857773      3.307920  
1 1 1 8   4  34 f 36.20475 0.8960398 12.82888       0.6412386 15.17015       1.003810  11.21482       0.8334605 5.457260       1.792080  
1 1 1 8   4  35 o 135.2268 1.453693  183.2937       3.931447  182.4890       5.534173  184.1136       5.586001  -0.5976868     2.907386  
1 1 1 8   4  36 o 43.80080 0.6561614 19.01811       0.5720631 21.17833       0.8609567 17.31047       0.7654737 4.412449       1.312323  
1 1 1 8   4  37 o 157.0931 1.675930  247.3116       5.257698  255.4314       7.691100  240.1881       7.203813  4.811325       3.351860  
1 1 1 8   4  38 o 30.45329 0.6491919 9.220560       0.3938691 10.42665       0.5817935 8.200091       0.5351547 3.654058       1.298384  
1 1 1 8   4  39 o 83.76265 0.9653313 69.67793       1.607236  75.48282       2.442665  65.24593       2.134354  6.093086       1.930663  
1 1 1 8   4  40 o 20.25340 0.7507221 4.108758       0.3039289 4.006676       0.4332329 4.207687       0.4264874 -0.4965954     1.501444  
1 1 1 8   4  41 o 53.08259 0.7318088 28.09534       0.7752894 26.41321       1.055858  30.06333       1.142058  -3.433552      1.463618  
1 1 1 8   4  42 o 70.55478 0.8616834 49.85855       1.215773  49.32001       1.703420  50.41772       1.735762  -0.7755814     1.723367  
1 1 1 8   4  43 o 50.54041 0.7199768 25.44251       0.7256020 27.39516       1.077980  23.82489       0.9811531 3.525482       1.439954  
1 1 1 8   4  44 o 56.44581 0.7640043 31.83800       0.8612118 33.33908       1.260772  30.52489       1.179192  2.486282       1.528009  
1 1 1 8   4  45 o 60.36957 0.7948363 36.39259       0.9575526 38.38119       1.412842  34.70307       1.302274  3.036335       1.589673  
1 1 1 8   4  46 o 64.77217 0.8946746 42.23211       1.152926  43.92745       1.572081  40.25915       1.695920  2.845566       1.789349  
1 1 1 8   4  47 o 12.27762 1.543489  1.737088       0.3416859 2.231438       0.4381811 0.9701466      0.5457798 5.259137       3.086979  
1 1 1 8   4  48 o 27.47294 1.027066  7.458430       0.5597448 6.563864       0.7380974 8.669285       0.8587232 -3.813993      2.054133  
1 1 1 8   4  49 o 45.04761 0.8658150 20.41838       0.7496367 20.13647       1.241639  20.58007       0.9403659 -0.5312843     1.731630  
1 1 1 8   4  50 o 18.91583 0.9598636 3.615878       0.3557929 4.569062       0.5134614 2.735479       0.4934682 4.843428       1.919727  
1 1 1 8   4  51 f 26.45865 0.9245988 6.801578       0.4745385 7.958108       0.7948568 6.161073       0.5915220 3.362587       1.849198  
1 1 1 8   4  52 o 41.30365 1.103048  17.19745       0.9041933 16.96809       1.360897  17.37871       1.209836  -0.5290604     2.206095  
1 1 1 8   4  53 o 21.34439 0.9486740 4.595618       0.3982115 5.720153       0.5758130 3.564794       0.5512988 5.044315       1.897348  
1 1 1 8   4  54 o 7.113555 1.760735  0.3980540      0.3361699 0.7428299      0.4655576 0.2244625E-01  0.4859284 2.742810       3.521470  
1 1 1 8   4  55 o 34.84299 0.7829687 12.16057       0.5449337 12.98705       0.7919756 11.41747       0.7509641 2.244835       1.565937  
1 1 1 8   4  56 o 29.11740 0.8302699 8.519301       0.4834283 8.521745       0.6899145 8.516944       0.6775936 0.5699158E-02  1.660540  
1 1 1 8   4  57 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   5  0  o 88.13705 1.380459  77.68392       2.433250  78.13818       3.463542  77.24123       3.419157  0.5087280      2.760919  
1 1 1 8   5  1  o 174.3556 2.592720  304.0547       9.039822  301.2650       12.65723  306.9592       12.91515  -1.631714      5.185441  
1 1 1 8   5  2  o 437.0263 6.423490  1909.013       56.02115  1987.435       82.57742  1842.146       76.25185  16.54630       12.84698  
1 1 1 8   5  3  o 204.6148 3.031019  418.6775       12.39864  425.5276       17.84544  412.2852       17.23894  3.232407       6.062037  
1 1 1 8   5  4  o 404.9763 4.215370  1618.651       33.74051  1501.923       43.87325  1787.624       52.78600  -35.20071      8.430739  
1 1 1 8   5  5  o 97.67668 1.063539  95.34453       2.076331  97.23832       3.001054  93.60564       2.875705  1.859283       2.127078  
1 1 1 8   5  6  o 455.4086 6.787542  2068.844       61.60415  1961.266       82.99108  2200.865       91.93697  -26.18542      13.57508  
1 1 1 8   5  7  o 384.3120 3.990380  1478.081       30.66699  1491.299       43.79544  1465.364       42.95609  3.367432       7.980760  
1 1 1 8   5  8  o 269.4022 2.818031  722.1507       15.10377  763.1909       22.78344  689.9738       20.17376  13.57324       5.636062  
1 1 1 8   5  9  o 234.5634 2.451458  549.9100       11.48974  561.4564       16.67763  539.4789       15.85170  4.680161       4.902916  
1 1 1 8   5  10 o 124.9646 1.338585  155.2410       3.328547  147.4552       4.447165  165.1581       5.019114  -7.081261      2.677171  
1 1 1 8   5  11 o 328.2214 3.410196  1077.488       22.37273  1099.279       32.31328  1057.423       31.00677  6.364044       6.820392  
1 1 1 8   5  12 o 125.2078 1.339432  155.7223       3.335349  147.3359       4.443512  166.5451       5.047866  -7.668541      2.678864  
1 1 1 8   5  13 o 169.1297 1.782614  285.2002       6.013683  298.3280       8.904812  274.1929       8.153967  7.130692       3.565228  
1 1 1 8   5  14 f 294.1898 3.063791  864.1739       17.98752  897.5850       26.50218  835.6368       24.49287  10.50565       6.127582  
1 1 1 8   5  15 o 362.1101 3.770047  1309.913       27.23584  1361.856       40.23552  1265.983       37.00194  13.18616       7.540094  
1 1 1 8   5  16 o 97.98789 1.075927  95.82417       2.104986  99.44025       3.087117  92.68205       2.877704  3.447403       2.151854  
1 1 1 8   5  17 o 356.3627 3.705203  1270.603       26.37109  1237.220       36.17396  1308.468       38.52574  -9.949707      7.410407  
1 1 1 8   5  18 o 297.6680 4.022591  882.3437       23.21680  913.4447       38.09782  863.9705       29.28223  8.095825       8.045181  
1 1 1 8   5  19 o 182.0741 1.914347  331.6498       6.969250  327.5303       9.724227  336.0005       9.993298  -2.322388      3.828693  
1 1 1 8   5  20 o 264.2354 2.755540  699.3767       14.56188  702.0511       20.67843  696.7459       20.50982  1.000214       5.511079  
1 1 1 8   5  21 o 122.4858 1.318674  149.0888       3.213175  141.0423       4.286316  159.4113       4.854832  -7.492485      2.637347  
1 1 1 8   5  22 o 246.5461 3.190750  596.7519       14.38322  579.2964       17.04326  639.9495       26.81124  -12.05794      6.381500  
1 1 1 8   5  23 f 283.4615 4.185140  806.1483       23.70548  788.4587       32.71170  825.7126       34.40131  -6.509552      8.370280  
1 1 1 8   5  24 o 75.43297 1.223214  54.37348       1.785170  67.06844       3.028051  47.61070       2.210091  12.88808       2.446429  
1 1 1 8   5  25 f 102.0561 1.368717  103.7919       2.624306  105.4268       4.595920  103.0010       3.196691  1.169373       2.737435  
1 1 1 8   5  26 o 34.87150 0.6095107 11.91783       0.4206596 10.04046       0.5534589 14.48588       0.6473100 -6.373369      1.219021  
1 1 1 8   5  27 o 47.69779 0.6645982 22.74654       0.6338904 22.28646       0.8869882 23.22679       0.9062343 -0.9855537     1.329196  
1 1 1 8   5  28 o 290.2303 3.031073  844.8766       17.58431  830.0666       24.38504  860.9209       25.38079  -5.272919      6.062146  
1 1 1 8   5  29 o 212.3193 2.228771  451.7527       9.463105  455.4872       13.50696  448.1524       13.26210  1.718552       4.457541  
1 1 1 8   5  30 o 143.4249 1.870932  207.6056       5.118442  200.9667       8.581621  211.2714       6.376881  -3.668472      3.741865  
1 1 1 8   5  31 o 52.78031 1.004698  27.68222       1.055586  29.82964       1.589465  25.98778       1.411906  3.635456       2.009396  
1 1 1 8   5  32 o 110.3697 1.719863  121.6889       3.787125  116.7444       5.142761  127.5468       5.597725  -4.872917      3.439726  
1 1 1 8   5  33 o 96.95198 1.078527  94.08537       2.091133  93.30215       2.934433  94.89349       2.980728  -0.8190842     2.157054  
1 1 1 8   5  34 o 132.2825 1.424347  175.2588       3.766931  178.0716       5.416313  172.6238       5.242434  2.050507       2.848695  
1 1 1 8   5  35 o 58.55419 0.7478428 34.30679       0.8757194 34.49271       1.247522  34.12617       1.229581  0.3124199      1.495686  
1 1 1 8   5  36 o 34.71576 0.6322774 11.85435       0.4352666 13.99543       0.6668552 10.26509       0.5745311 5.369980       1.264555  
1 1 1 8   5  37 o 60.19116 0.7611414 36.20541       0.9153240 37.41678       1.332026  35.12167       1.259910  1.903709       1.522283  
1 1 1 8   5  38 o 37.13052 0.6440489 13.60268       0.4748916 15.64502       0.7242820 12.06255       0.6289575 4.820789       1.288098  
1 1 1 8   5  39 o 52.64757 0.7187015 27.73803       0.7566912 27.33905       1.061871  28.14966       1.078571  -0.7691040     1.437403  
1 1 1 8   5  40 o 33.35831 0.8858779 11.16178       0.5899981 11.50872       0.8188998 10.78731       0.8507798 1.083279       1.771756  
1 1 1 8   5  41 f 40.25718 0.6642699 16.22240       0.5348175 16.10413       0.7570552 16.34023       0.7556388 -0.2933159     1.328540  
1 1 1 8   5  42 o 56.59427 0.7540175 32.03051       0.8528230 33.19527       1.235611  30.97083       1.178558  1.961555       1.508035  
1 1 1 8   5  43 o 56.44268 0.7589545 31.87950       0.8562652 32.78079       1.236634  31.04941       1.186787  1.529999       1.517909  
1 1 1 8   5  44 o 69.11449 0.8557950 47.68892       1.179992  50.42019       1.745893  45.39210       1.601025  3.624359       1.711590  
1 1 1 8   5  45 o 73.40707 0.8978630 53.99623       1.317629  55.12540       1.897418  52.94455       1.831165  1.478508       1.795726  
1 1 1 8   5  46 o 39.94699 0.6944606 15.98641       0.5548066 15.86827       0.7863455 16.10352       0.7828959 -0.2947502     1.388921  
1 1 1 8   5  47 o 47.30271 0.7276263 22.38568       0.6878259 21.44935       0.9506325 23.41442       0.9964496 -2.072578      1.455253  
1 1 1 8   5  48 o 57.78958 0.7886487 33.46593       0.9111908 34.05974       1.309917  32.90923       1.268326  0.9906502      1.577297  
1 1 1 8   5  49 f 44.50297 0.9527587 20.11896       0.8333113 21.37862       1.102926  18.44337       1.272045  3.322735       1.905517  
1 1 1 8   5  50 f 21.59568 3.003998  0.000000       0.000000  ?              ?         4.768219       1.297467  ?              ?         
1 1 1 8   5  51 o 46.42399 0.9263306 20.89131       0.7998600 19.69818       0.9554057 23.68718       1.462519  -4.212799      1.852661  
1 1 1 8   5  52 o 26.94834 0.8265265 7.281882       0.4451740 7.081285       0.6159713 7.501226       0.6441134 -0.7745819     1.653053  
1 1 1 8   5  53 o 49.96190 0.7809002 25.00506       0.7795287 23.89434       1.074172  26.24082       1.133021  -2.338444      1.561800  
1 1 1 8   5  54 o 45.93554 0.7669314 21.10172       0.7032335 22.47184       1.034127  19.92308       0.9591455 2.761574       1.533863  
1 1 1 8   5  55 o 26.57089 0.8484042 7.099959       0.4503067 7.218363       0.6247636 6.971945       0.6496233 0.4687614      1.696808  
1 1 1 8   5  56 o 20.54613 1.009076  4.219293       0.4128293 3.730054       0.5590134 4.806196       0.6122724 -2.605721      2.018152  
1 1 1 8   6  0  o 404.4143 8.414981  1632.139       67.71307  1552.706       90.45614  1733.384       102.1233  -22.14990      16.82996  
1 1 1 8   6  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   6  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   6  3  o 303.5638 4.467902  922.5098       27.12524  919.2610       38.20758  925.8112       38.51606  -1.076141      8.935803  
1 1 1 8   6  4  o 470.8220 6.910679  2220.484       65.01731  2173.442       89.74329  2272.451       94.32440  -10.45172      13.82136  
1 1 1 8   6  5  o 218.4865 2.285548  475.2598       9.946737  454.1855       13.36691  501.4089       14.88958  -10.79996      4.571097  
1 1 1 8   6  6  o 71.44710 0.8183035 50.91699       1.167166  48.98748       1.593093  53.15276       1.714872  -2.914734      1.636607  
1 1 1 8   6  7  o 300.0464 3.121229  898.1352       18.68139  866.0328       25.35012  936.2899       27.63668  -11.69217      6.242458  
1 1 1 8   6  8  f 191.5092 2.006539  366.7896       7.684206  363.3633       10.75384  370.3642       10.98403  -1.826736      4.013078  
1 1 1 8   6  9  o 124.3747 1.334291  150.7846       3.248996  173.5704       5.284202  136.9349       4.119728  14.72397       2.668581  
1 1 1 8   6  10 o 480.3442 5.000526  2308.050       47.97834  2382.123       70.01172  2242.462       65.87988  14.48114       10.00105  
1 1 1 8   6  11 o 249.5739 2.604986  622.5204       12.99051  607.9037       17.91143  638.7409       18.86863  -6.170547      5.209972  
1 1 1 8   6  12 f 147.6524 1.567502  218.0555       4.628743  217.3202       6.514297  218.8053       6.578235  -0.5025787     3.135003  
1 1 1 8   6  13 o 259.2385 2.702598  672.5134       14.01138  676.2935       19.95384  668.8367       19.67918  1.435455       5.405195  
1 1 1 8   6  14 f 344.8912 3.583755  1190.606       24.70716  1211.965       35.63552  1170.835       34.28596  5.942535       7.167511  
1 1 1 8   6  15 f 148.3082 1.573623  219.8972       4.665213  223.8295       6.727898  216.2555       6.474606  2.551575       3.147247  
1 1 1 8   6  16 o 283.8062 2.954688  806.0786       16.76345  793.2748       23.28891  819.8452       24.14867  -4.667755      5.909377  
1 1 1 8   6  17 o 201.0119 2.110850  404.2994       8.485188  408.0919       12.10882  400.6404       11.89381  1.850830       4.221701  
1 1 1 8   6  18 o 213.7836 2.238258  457.1077       9.563485  466.8209       13.83472  448.2185       13.23483  4.341675       4.476516  
1 1 1 8   6  19 o 140.1422 1.491484  196.1276       4.173937  202.7787       6.110012  190.3079       5.715404  4.444794       2.982969  
1 1 1 8   6  20 o 291.8696 3.040790  852.0625       17.72116  827.3192       24.24643  880.4370       25.96473  -9.057526      6.081579  
1 1 1 8   6  21 o 89.98550 1.002937  80.09289       1.789769  74.51772       2.353710  87.73569       2.755816  -7.341354      2.005874  
1 1 1 8   6  22 o 79.22614 0.9032531 62.49188       1.426368  66.15810       2.125939  59.49038       1.923584  4.206497       1.806506  
1 1 1 8   6  23 o 169.4547 1.789842  286.2692       6.045758  274.5859       8.161597  300.4752       8.999697  -7.625397      3.579685  
1 1 1 8   6  24 o 105.1860 1.150594  110.6797       2.420500  110.9620       3.432890  110.4006       3.413402  0.2666550      2.301188  
1 1 1 8   6  25 o 116.0130 1.569452  128.0451       3.223940  121.0556       3.721751  149.0558       6.452741  -12.02274      3.138904  
1 1 1 8   6  26 o 280.6910 4.151268  791.9739       23.29701  803.1493       33.45580  781.4534       32.46064  3.817505       8.302535  
1 1 1 8   6  27 o 172.8154 2.578221  298.6873       8.893650  289.0665       12.13154  309.8655       13.07660  -5.986313      5.156441  
1 1 1 8   6  28 o 77.21893 1.262683  0.000000       0.000000  ?              ?         59.64825       1.950060  ?              ?         
1 1 1 8   6  29 o 135.1056 2.056429  182.9028       5.556649  183.0711       7.877108  182.7361       7.839603  0.1226959      4.112858  
1 1 1 8   6  30 f 41.90584 0.8063377 18.21382       0.6515067 21.74527       0.8756582 13.83494       0.9750790 9.439838       1.612675  
1 1 1 8   6  31 o 148.3000 1.581711  220.2485       4.690418  217.7563       6.555119  222.8631       6.714251  -1.715729      3.163421  
1 1 1 8   6  32 o 76.22021 0.8899676 57.24448       1.341613  52.54671       1.746769  64.00208       2.095011  -7.505608      1.779935  
1 1 1 8   6  33 o 125.0026 1.351406  156.4827       3.377798  158.4480       4.839944  154.6165       4.716311  1.526985       2.702811  
1 1 1 8   6  34 o 59.26735 0.7514282 35.13723       0.8905494 34.61325       1.245339  35.68562       1.274004  -0.9038773     1.502856  
1 1 1 8   6  35 o 102.7611 1.138635  105.6686       2.338257  108.2045       3.389499  103.3660       3.229862  2.346115       2.277270  
1 1 1 8   6  36 f 62.48569 0.7803671 39.05029       0.9748478 38.15229       1.355449  40.01248       1.403070  -1.486710      1.560734  
1 1 1 8   6  37 o 54.94641 0.7267777 30.11630       0.7972220 28.59293       1.088094  31.88185       1.171393  -2.989632      1.453555  
1 1 1 8   6  38 o 38.17590 0.6460718 14.58332       0.4932635 14.38313       0.6956624 14.78574       0.6995133 -0.5271683     1.292144  
1 1 1 8   6  39 o 22.78924 0.8740227 5.354098       0.3749830 5.702500       0.4670726 4.722336       0.6289560 2.159712       1.748045  
1 1 1 8   6  40 o 62.07755 0.7895771 38.58050       0.9801897 38.80027       1.398327  38.36821       1.374379  0.3466721      1.579154  
1 1 1 8   6  41 f 46.73938 0.6945115 21.82029       0.6483862 22.85711       0.9467543 20.90444       0.8898062 2.085686       1.389023  
1 1 1 8   6  42 o 9.399261 1.421686  0.9238873      0.2597109 0.7948871      0.3663543 1.054209       0.3682262 -1.364549      2.843371  
1 1 1 8   6  43 o 49.86407 0.7195103 24.89682       0.7174811 24.46494       1.006758  25.34254       1.022774  -0.8788109     1.439021  
1 1 1 8   6  44 o 41.47264 0.6946839 17.17743       0.5754014 16.22849       0.7895957 18.25203       0.8402449 -2.435776      1.389368  
1 1 1 8   6  45 o 41.57434 1.052947  17.13187       0.8685901 19.08187       1.334883  15.70002       1.143865  4.042965       2.105894  
1 1 1 8   6  46 o 78.61655 0.9445672 61.88894       1.483253  59.68912       2.035391  64.38004       2.165965  -2.967072      1.889134  
1 1 1 8   6  47 o 49.87209 0.7469046 24.92070       0.7448931 24.57762       1.043002  25.27787       1.064193  -0.6998482     1.493809  
1 1 1 8   6  48 o 43.88503 0.8091345 19.24383       0.6967174 19.65473       1.102765  18.97085       0.8988296 0.7550888      1.618269  
1 1 1 8   6  49 o 17.75041 1.596498  3.088601       0.5572803 3.779716       0.8924222 2.646836       0.7134939 3.144279       3.192996  
1 1 1 8   6  50 o 8.048254 1.751398  0.6586423      0.3174284 0.8259758      0.4277807 0.4536135      0.4735185 1.646292       3.502796  
1 1 1 8   6  51 f 75.12611 1.297503  56.82024       1.945433  55.32603       2.652780  58.55894       2.861586  -2.102119      2.595006  
1 1 1 8   6  52 o 36.92136 0.8615155 13.63991       0.6164083 13.88600       1.008865  13.49332       0.7786505 0.4925385      1.723031  
1 1 1 8   6  53 o 39.72124 0.7729474 15.82971       0.6138907 15.36633       0.8583356 16.31496       0.8783557 -1.190662      1.545895  
1 1 1 8   6  54 o 49.31903 0.7859259 24.41749       0.7751852 24.25841       1.089830  24.58039       1.102841  -0.3241272     1.571852  
1 1 1 8   6  55 o 14.39242 1.526985  2.009041       0.4145423 1.440094       0.5239949 2.960811       0.6777305 -5.393678      3.053971  
1 1 1 8   6  56 f 28.61373 1.527407  8.817245       0.8184226 6.493767       1.296361  10.35702       1.055321  -6.836538      3.054813  
1 1 1 8   7  0  f 451.3674 5.774124  2035.854       48.95050  2025.864       59.65491  2056.444       85.64386  -3.095306      11.54825  
1 1 1 8   7  1  o 132.2356 1.998287  173.1933       5.242428  187.9512       8.049330  162.3220       6.908557  9.686188       3.996574  
1 1 1 8   7  2  o 364.7808 5.359598  1330.281       39.03698  1374.811       57.20392  1291.470       53.40492  11.38275       10.71920  
1 1 1 8   7  3  o 562.2057 8.275019  3124.216       91.78414  2895.891       118.7319  3463.279       144.6876  -50.02429      16.55004  
1 1 1 8   7  4  o 379.7292 3.961503  1441.816       30.05849  1411.146       41.46758  1475.773       43.63331  -8.491669      7.923006  
1 1 1 8   7  5  o 168.0947 1.769888  282.4184       5.946692  277.2690       8.242754  288.0077       8.587627  -3.192902      3.539776  
1 1 1 8   7  6  o 471.0680 4.910652  2211.954       46.09558  2341.752       68.83798  2106.442       62.06487  24.89966       9.821304  
1 1 1 8   7  7  o 260.8484 2.719550  680.6608       14.18602  674.2978       19.87277  687.2720       20.25686  -2.484344      5.439099  
1 1 1 8   7  8  o 308.0636 3.203600  948.6422       19.71839  973.4089       28.66546  926.3973       27.16688  7.617523       6.407200  
1 1 1 8   7  9  o 48.54850 0.6239853 23.49688       0.6046489 22.46614       0.8237532 24.70095       0.8903274 -2.301502      1.247971  
1 1 1 8   7  10 o 177.4674 1.880027  314.8865       6.670262  320.3868       9.596328  309.7449       9.278070  2.996429       3.760054  
1 1 1 8   7  11 o 200.8615 2.103084  403.4857       8.446116  398.2145       11.77581  409.0704       12.12090  -2.699890      4.206169  
1 1 1 8   7  12 o 217.5059 2.278026  473.3462       9.909636  474.9754       14.04008  471.7289       13.98875  0.7458649      4.556053  
1 1 1 8   7  13 o 358.2986 3.723496  1284.884       26.66364  1312.054       38.58265  1260.046       36.89042  7.230835       7.446993  
1 1 1 8   7  14 o 277.4807 2.889545  770.5063       16.03026  782.0860       23.03715  759.6360       22.32027  4.035461       5.779089  
1 1 1 8   7  15 f 134.7086 1.436366  180.2870       3.848085  170.6481       5.126532  192.7271       5.823969  -8.189835      2.872732  
1 1 1 8   7  16 o 74.27449 0.8624657 55.15287       1.280780  54.38860       1.784628  55.96457       1.839198  -1.060631      1.724931  
1 1 1 8   7  17 o 588.8918 6.155343  3492.076       72.48763  3531.570       103.5107  3454.071       101.5436  6.499268       12.31069  
1 1 1 8   7  18 o 181.2912 1.907125  328.6540       6.910009  335.7076       9.999496  322.2069       9.559783  3.717102       3.814249  
1 1 1 8   7  19 o 209.8212 2.853289  438.6302       11.64043  430.9069       14.75670  451.3521       18.93922  -4.776138      5.706578  
1 1 1 8   7  20 o 238.2659 2.490076  568.4614       11.86558  570.7242       16.86426  566.2430       16.69790  0.9371490      4.980152  
1 1 1 8   7  21 o 85.14975 0.9589388 72.11970       1.626435  76.82318       2.436852  68.34129       2.184103  4.978584       1.917878  
1 1 1 8   7  22 o 150.8195 1.600585  227.6054       4.827856  226.7146       6.797558  228.5121       6.858083  -0.5950623     3.201170  
1 1 1 8   7  23 o 50.93987 0.6751892 25.92104       0.6873818 26.74761       0.9955957 25.16812       0.9502016 1.550060       1.350378  
1 1 1 8   7  24 o 122.1064 1.316158  149.0435       3.211920  145.8972       4.442340  152.4900       4.649416  -2.696800      2.632315  
1 1 1 8   7  25 o 65.13316 0.7963088 42.17424       1.033507  39.53884       1.390537  45.42683       1.544805  -4.518593      1.592618  
1 1 1 8   7  26 o 100.7503 1.583938  101.1805       3.182136  96.54511       4.303520  106.7720       4.726618  -5.067215      3.167877  
1 1 1 8   7  27 o 133.3744 2.880436  178.1882       7.683528  178.1882       7.683528  ?              ?         ?              ?         
1 1 1 8   7  28 o 184.0742 3.878414  339.9986       14.27832  339.9986       14.27832  ?              ?         ?              ?         
1 1 1 8   7  29 o 112.4397 1.722209  126.2690       3.864123  131.7388       5.700264  121.6184       5.256110  4.485893       3.444417  
1 1 1 8   7  30 f 124.0895 1.624495  155.6165       3.866974  149.2779       6.386706  159.2852       4.858823  -4.087730      3.248990  
1 1 1 8   7  31 o 87.85593 0.9955885 76.28270       1.733721  70.50043       2.274801  84.29597       2.677932  -7.840569      1.991177  
1 1 1 8   7  32 o 97.70770 1.086150  95.55932       2.122272  96.23243       3.027886  94.90930       2.975491  0.6752701      2.172300  
1 1 1 8   7  33 o 11.04231 1.005749  1.235619       0.2193769 1.062030       0.3197342 1.390029       0.3015550 -1.485817      2.011498  
1 1 1 8   7  34 o 61.33808 0.7676907 37.59400       0.9408372 36.44933       1.295767  38.87037       1.368282  -1.971161      1.535381  
1 1 1 8   7  35 o 50.12287 0.6934561 25.02881       0.6934304 23.60865       0.9409580 26.71679       1.025849  -3.097816      1.386912  
1 1 1 8   7  36 o 63.52466 0.7921517 40.31246       1.005216  38.86712       1.380820  41.94206       1.466197  -2.416866      1.584303  
1 1 1 8   7  37 o 20.47647 0.7228343 4.170126       0.2947325 3.667676       0.4010223 4.760328       0.4346330 -2.666750      1.445669  
1 1 1 8   7  38 o 84.08194 0.9723302 70.79536       1.634760  71.56274       2.340751  70.06468       2.284091  0.8875046      1.944660  
1 1 1 8   7  39 f 67.25628 0.8296086 45.27666       1.115647  44.45652       1.556546  46.14310       1.599873  -1.251328      1.659217  
1 1 1 8   7  40 o 80.84966 0.9462316 65.11001       1.523528  69.46877       2.286060  61.62722       2.043477  4.832474       1.892463  
1 1 1 8   7  41 o 26.50397 0.6959742 7.008832       0.3678658 7.803060       0.5361487 6.302340       0.5056696 2.829342       1.391948  
1 1 1 8   7  42 o 29.95061 0.6900209 8.892046       0.4108915 7.709304       0.5528494 10.35162       0.6141496 -4.407089      1.380042  
1 1 1 8   7  43 o 43.17113 0.6959946 18.59781       0.5998654 17.42635       0.8202602 19.94462       0.8795112 -2.912289      1.391989  
1 1 1 8   7  44 o 57.22379 0.7718384 32.80209       0.8832348 33.17816       1.261565  32.44056       1.236963  0.6423302      1.543677  
1 1 1 8   7  45 o 28.67541 1.119989  8.301438       0.6350172 7.957984       0.9626446 8.566030       0.8449264 -1.076649      2.239979  
1 1 1 8   7  46 o 6.251759 1.671654  0.2843467      0.2864972 0.2965999      0.3972359 0.2710634      0.4135956 0.3209496E-01  3.343309  
1 1 1 8   7  47 o 61.29668 1.188215  37.79974       1.456087  37.23638       2.078995  38.34216       2.039994  -0.9086189     2.376429  
1 1 1 8   7  48 o 28.19620 0.9675217 8.107190       0.5001705 8.306326       0.6019402 7.663026       0.8989791 1.182531       1.935043  
1 1 1 8   7  49 f 21.35533 0.8790964 4.575617       0.3716326 5.493199       0.5391534 3.745027       0.5129602 4.089140       1.758193  
1 1 1 8   7  50 o 18.00384 0.9983065 3.222415       0.3572554 2.791696       0.4796351 3.759168       0.5354277 -2.677029      1.996613  
1 1 1 8   7  51 o 23.45940 0.8557067 5.512993       0.3998089 6.250402       0.5797363 4.844200       0.5521055 2.992630       1.711413  
1 1 1 8   7  52 o 12.26882 1.728898  1.305878       0.4130642 0.6055263      0.5010000 2.792527       0.7299349 -8.656042      3.457796  
1 1 1 8   7  53 o 33.51593 0.9398698 11.27406       0.6284178 11.58514       0.9272383 11.00979       0.8546295 0.8431587      1.879740  
1 1 1 8   7  54 o 10.05066 1.744827  1.059466       0.3515818 0.8155453      0.4817137 1.337514       0.5143087 -2.414069      3.489654  
1 1 1 8   7  55 o 28.90763 1.094589  8.425180       0.6238953 8.411574       0.8164797 8.444273       0.9671833 -0.1510811E-01 2.189178  
1 1 1 8   7  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   8  0  o 553.9254 5.766298  3073.658       63.86797  3042.920       89.22521  3105.956       91.46223  -5.662964      11.53260  
1 1 1 8   8  1  o 463.5760 5.224996  2142.384       47.56736  2100.424       61.40407  2205.350       75.22005  -11.16376      10.44999  
1 1 1 8   8  2  o 313.5948 3.267651  983.4298       20.48286  1002.129       29.56508  966.1706       28.40407  5.724915       6.535301  
1 1 1 8   8  3  o 192.9850 2.027804  372.5091       7.826306  370.5648       11.00134  374.5013       11.13602  -1.019272      4.055609  
1 1 1 8   8  4  o 124.7367 1.334266  154.5466       3.309951  165.2949       5.009748  146.2198       4.409457  7.644218       2.668532  
1 1 1 8   8  5  o 346.9186 3.605997  1202.584       24.98287  1240.626       36.53560  1169.174       34.23841  10.27734       7.211993  
1 1 1 8   8  6  o 454.8640 5.133588  2022.557       44.61855  2241.423       76.88557  1911.420       54.78799  35.97534       10.26718  
1 1 1 8   8  7  o 262.9095 2.739450  691.1142       14.39545  705.3119       20.80544  678.0749       19.93869  5.173248       5.478899  
1 1 1 8   8  8  o 210.5072 2.203138  443.1812       9.272991  437.9013       12.93511  448.7635       13.30050  -2.577560      4.406276  
1 1 1 8   8  9  o 346.8751 3.604207  1204.203       24.99593  1187.766       34.81873  1221.683       35.90549  -4.876221      7.208413  
1 1 1 8   8  10 o 169.9417 1.791871  288.4090       6.081370  280.4486       8.335464  297.4682       8.892220  -5.003906      3.583742  
1 1 1 8   8  11 o 158.7011 1.686590  251.7866       5.351175  257.2988       7.700675  246.6393       7.441391  3.356628       3.373180  
1 1 1 8   8  12 o 83.94707 0.9472426 70.47957       1.590331  70.56718       2.242478  70.39092       2.255714  0.1050415      1.894485  
1 1 1 8   8  13 o 147.6468 1.565793  217.7027       4.617258  211.5317       6.332566  224.7072       6.746667  -4.458649      3.131586  
1 1 1 8   8  14 o 192.9556 2.024141  372.1367       7.804051  381.6211       11.33451  363.5879       10.76100  4.666687       4.048281  
1 1 1 8   8  15 o 104.0854 1.134594  108.3120       2.361058  110.1236       3.393977  106.6131       3.286688  1.685654       2.269188  
1 1 1 8   8  16 f 361.3481 3.759578  1309.071       27.16704  1298.633       38.06918  1319.903       38.78070  -2.924988      7.519156  
1 1 1 8   8  17 o 288.5906 3.006732  834.1083       17.34764  846.9669       24.94884  822.0723       24.13779  4.294495       6.013463  
1 1 1 8   8  18 o 132.8159 1.419052  175.9843       3.760749  169.6118       5.114036  183.4885       5.549633  -5.219009      2.838103  
1 1 1 8   8  19 o 143.0201 2.160989  204.7575       6.181287  204.4606       8.731738  205.0558       8.751615  -0.2077637     4.321979  
1 1 1 8   8  20 f 40.12804 0.5967389 15.86349       0.4752333 14.09674       0.6272311 18.24464       0.7281711 -5.167847      1.193478  
1 1 1 8   8  21 o 311.3995 3.244066  969.2557       20.15005  933.8013       27.32942  1011.487       29.82705  -12.40179      6.488132  
1 1 1 8   8  22 o 277.2654 2.893557  770.4191       16.04500  766.3453       22.56723  774.5835       22.81694  -1.478882      5.787115  
1 1 1 8   8  23 o 114.2086 1.563499  122.8059       3.111098  146.4200       6.417846  115.5524       3.556969  13.46884       3.126998  
1 1 1 8   8  24 o 51.19523 1.030542  26.21814       1.055176  26.21587       1.492716  26.22042       1.491774  -0.4447937E-02 2.061084  
1 1 1 8   8  25 o 133.7398 2.040771  178.8384       5.451654  184.2904       7.954872  174.0102       7.486073  3.832016       4.081541  
1 1 1 8   8  26 o 74.66533 0.9525158 55.41290       1.395655  53.99559       1.796474  57.57061       2.216587  -2.388557      1.905032  
1 1 1 8   8  27 o 88.65208 0.9990272 78.18011       1.763940  74.02178       2.367257  83.37125       2.644954  -5.268738      1.998054  
1 1 1 8   8  28 o 78.61084 0.9108472 61.80780       1.431871  60.88403       2.005843  62.76767       2.044657  -1.197456      1.821694  
1 1 1 8   8  29 o 62.68298 0.7779027 38.94652       0.9697688 36.04525       1.290652  42.70825       1.469634  -5.311821      1.555805  
1 1 1 8   8  30 o 118.2196 1.562154  140.8621       3.527402  142.9805       4.398513  137.0444       5.904721  2.568069       3.124308  
1 1 1 8   8  31 o 41.79178 0.8508002 17.47429       0.7110330 17.36294       0.9961240 17.58996       1.015254  -0.2711220     1.701600  
1 1 1 8   8  32 o 99.10950 1.543467  98.02641       3.049474  103.5093       4.539589  93.51768       4.116590  5.018715       3.086935  
1 1 1 8   8  33 o 91.25629 1.028886  83.30544       1.876868  81.34764       2.603436  85.42406       2.708251  -2.229332      2.057771  
1 1 1 8   8  34 o 74.29601 0.8749713 54.92056       1.294379  58.67139       1.944567  51.93650       1.734455  4.524231       1.749943  
1 1 1 8   8  35 o 98.86232 1.101838  97.64818       2.174433  94.07717       2.966073  101.7972       3.197135  -3.892204      2.203676  
1 1 1 8   8  36 o 89.81670 1.018608  80.51336       1.825135  77.04376       2.476568  84.63773       2.700165  -4.215393      2.037216  
1 1 1 8   8  37 o 15.51605 0.8195491 2.421523       0.2531115 2.215102       0.3647620 2.613221       0.3515130 -1.283541      1.639098  
1 1 1 8   8  38 o 74.05472 0.9566162 54.95342       1.402475  55.06304       1.857003  54.80788       2.139702  0.1902161      1.913232  
1 1 1 8   8  39 o 47.01237 0.6925418 22.07096       0.6503400 23.18711       0.9491360 21.08321       0.8928791 2.234867       1.385084  
1 1 1 8   8  40 o 34.57837 0.6676096 11.96057       0.4614053 12.57751       0.6612288 11.37508       0.6441573 1.737785       1.335219  
1 1 1 8   8  41 o 49.60976 0.7176940 24.49200       0.7096866 26.53757       1.057989  22.81864       0.9569041 3.741764       1.435388  
1 1 1 8   8  42 o 9.971151 1.375358  1.049076       0.2656648 1.371347       0.3706023 0.7084178      0.3810281 3.436257       2.750716  
1 1 1 8   8  43 o 80.28709 0.9505063 64.56559       1.525104  62.88512       2.107282  66.41393       2.210030  -2.187119      1.901013  
1 1 1 8   8  44 o 32.33791 0.6944500 10.46216       0.4488787 10.08220       0.6224165 10.87395       0.6479754 -1.222073      1.388900  
1 1 1 8   8  45 o 14.80307 1.540641  2.309119       0.3808016 2.114894       0.7472408 2.377255       0.4425840 -1.171825      3.081282  
1 1 1 8   8  46 o 24.81143 1.190538  6.218740       0.5851131 5.962053       0.8805522 6.421685       0.7829672 -0.9420719     2.381076  
1 1 1 8   8  47 o 33.33368 0.7306938 11.13136       0.4868404 11.01324       0.6753411 11.25916       0.7024515 -0.3659744     1.461388  
1 1 1 8   8  48 o 39.55475 0.7236856 15.64288       0.5717039 14.93702       0.7836406 16.44604       0.8359113 -1.901527      1.447371  
1 1 1 8   8  49 o 30.00257 0.7676759 8.972850       0.4591623 8.328094       0.6199995 9.756017       0.6833150 -2.371119      1.535352  
1 1 1 8   8  50 o 57.16227 0.8035727 32.76427       0.9183941 33.50143       1.319115  32.07082       1.279406  1.245636       1.607145  
1 1 1 8   8  51 o 42.08008 0.7583504 17.71810       0.6374004 18.79487       0.9295238 16.76238       0.8757210 2.406990       1.516701  
1 1 1 8   8  52 o 35.62144 0.7516065 12.73155       0.5354019 12.69227       0.7508627 12.77219       0.7636446 -0.1101303     1.503213  
1 1 1 8   8  53 o 15.72086 1.304498  2.327649       0.3959381 1.782689       0.4916784 3.332957       0.6678030 -4.879920      2.608995  
1 1 1 8   8  54 o 30.51665 1.064887  9.362364       0.6428103 9.239758       0.8461107 9.529731       0.9885645 -0.4388905     2.129774  
1 1 1 8   8  55 o 10.40008 2.080961  1.171665       0.4547681 1.345354       0.5775211 0.8881879      0.7378041 1.697707       4.161922  
1 1 1 8   9  0  f 701.6630 7.354840  4937.499       103.1292  4845.473       142.5076  5038.686       149.4322  -13.64447      14.70968  
1 1 1 8   9  1  o 208.3258 2.181877  434.1410       9.090764  433.8652       12.83094  434.4190       12.88177  -0.1326447     4.363753  
1 1 1 8   9  2  o 196.7329 2.069665  386.7992       8.137330  396.0139       11.78541  378.4040       11.24915  4.472763       4.139330  
1 1 1 8   9  3  o 234.1789 2.446831  547.9045       11.44674  563.3387       16.67364  534.1456       15.74271  6.227020       4.893661  
1 1 1 8   9  4  o 343.2287 3.569152  1177.806       24.47476  1150.033       33.69924  1208.808       35.60436  -8.543274      7.138304  
1 1 1 8   9  5  o 62.39704 0.7403167 38.72513       0.9204995 41.34262       1.375279  36.60090       1.238937  3.799332       1.480633  
1 1 1 8   9  6  o 274.2169 2.855384  752.2833       15.65640  761.4640       22.42678  743.5554       21.86684  3.260498       5.710767  
1 1 1 8   9  7  o 281.3442 2.930529  792.1707       16.48962  794.5970       23.37558  789.7676       23.26451  0.8572083      5.861057  
1 1 1 8   9  8  o 121.2198 1.304462  146.1992       3.149546  155.1365       4.718920  139.0199       4.229435  6.645424       2.608925  
1 1 1 8   9  9  f 508.1063 5.282602  2586.709       53.63020  2653.944       77.93055  2526.220       73.91759  12.48575       10.56520  
1 1 1 8   9  10 o 138.0519 1.472918  189.4922       4.045689  180.1637       5.402838  201.3993       6.104056  -7.686737      2.945836  
1 1 1 8   9  11 o 110.2291 1.198478  121.5088       2.641819  120.3808       3.701357  122.6801       3.771832  -1.042580      2.396956  
1 1 1 8   9  12 o 160.4142 1.696178  257.3123       5.439570  253.4373       7.563940  261.4630       7.828299  -2.499252      3.392356  
1 1 1 8   9  13 o 334.9955 3.484715  1123.039       23.32333  1152.419       33.91461  1096.676       32.12632  8.285156       6.969430  
1 1 1 8   9  14 o 65.20527 0.7786840 42.38726       1.013184  44.45167       1.495255  40.63476       1.377674  2.926273       1.557368  
1 1 1 8   9  15 o 107.6040 1.169308  115.3435       2.508191  121.4396       3.733485  110.3288       3.386134  5.159958       2.338615  
1 1 1 8   9  16 o 120.3437 1.297476  144.8712       3.122730  145.7853       4.440973  143.9773       4.391852  0.7506561      2.594952  
1 1 1 8   9  17 o 86.12729 0.9667037 73.36152       1.650380  80.26912       2.546631  68.35973       2.167031  6.910881       1.933407  
1 1 1 8   9  18 o 244.6460 2.555746  599.1011       12.50003  608.5985       17.98495  590.2260       17.38569  3.743011       5.111493  
1 1 1 8   9  19 o 78.98413 1.302268  61.92770       2.045711  58.11927       2.724218  66.85226       3.097798  -5.524345      2.604535  
1 1 1 8   9  20 o 84.64785 1.185544  71.94215       1.891478  70.88424       3.266516  72.47579       2.320001  -0.9499054     2.371087  
1 1 1 8   9  21 o 122.7891 1.887505  150.6070       4.628047  145.7593       6.334635  156.1570       6.777921  -4.226166      3.775011  
1 1 1 8   9  22 o 133.6036 2.036438  178.7038       5.441339  177.8578       7.658648  179.5660       7.732311  -0.6377716     4.072876  
1 1 1 8   9  23 f 122.7568 1.633629  150.1557       3.747921  148.9769       4.543042  152.6674       6.631600  -1.466515      3.267257  
1 1 1 8   9  24 o 79.51157 0.9217313 63.12822       1.464192  65.58522       2.132011  60.93491       2.014356  2.923027       1.843463  
1 1 1 8   9  25 o 112.4887 1.225075  126.6081       2.756130  126.7841       3.904441  126.4334       3.891107  0.1556702      2.450151  
1 1 1 8   9  26 o 52.60015 0.7058087 27.24597       0.7358912 30.96618       1.137280  24.56649       0.9651827 6.081444       1.411617  
1 1 1 8   9  27 f 73.55724 0.8691400 53.96038       1.276015  56.65259       1.879340  51.65778       1.738045  3.393097       1.738280  
1 1 1 8   9  28 o 196.6538 2.071213  387.6404       8.145125  383.9323       11.40610  391.4990       11.63521  -1.913971      4.142425  
1 1 1 8   9  29 o 158.7644 1.687082  252.4664       5.355535  255.7298       7.680783  249.3785       7.471300  1.991837       3.374163  
1 1 1 8   9  30 o 91.77487 1.029872  84.25364       1.889475  85.70953       2.721505  82.89885       2.625331  1.528465       2.059745  
1 1 1 8   9  31 o 55.56023 0.7242110 30.79101       0.8034015 29.27269       1.098143  32.53957       1.178467  -2.938023      1.448422  
1 1 1 8   9  32 f 121.6882 1.608169  148.8872       3.716691  149.8121       4.594269  147.1352       6.322729  1.198875       3.216337  
1 1 1 8   9  33 o 39.15958 0.8322147 15.07282       0.6458141 17.63539       0.9968344 13.21923       0.8477974 5.633232       1.664429  
1 1 1 8   9  34 f 51.68200 0.9456297 26.60791       0.9743524 25.13008       1.315549  28.40361       1.450148  -3.161068      1.891259  
1 1 1 8   9  35 o 112.4905 1.507995  126.1590       3.178634  129.2472       5.604985  124.6949       3.859237  1.889893       3.015990  
1 1 1 8   9  36 o 59.22393 0.7558879 35.05999       0.8947062 33.86108       1.237497  36.37306       1.295077  -2.118355      1.511776  
1 1 1 8   9  37 o 20.69444 0.7083855 4.279625       0.2925003 3.882679       0.4055566 4.709953       0.4222651 -1.998055      1.416771  
1 1 1 8   9  38 o 63.24102 0.7954515 39.69684       1.000343  43.24857       1.516985  36.96405       1.330654  4.958294       1.590903  
1 1 1 8   9  39 f 84.40269 0.9760042 71.34741       1.646766  72.44580       2.372422  70.32611       2.287648  1.249504       1.952008  
1 1 1 8   9  40 o 56.50780 0.7538710 31.40726       0.8425376 35.81651       1.316824  28.35111       1.096311  6.591568       1.507742  
1 1 1 8   9  41 o 73.96101 0.8943105 54.74116       1.321605  53.08907       1.820843  56.58049       1.921260  -2.351707      1.788621  
1 1 1 8   9  42 o 22.29231 0.7611064 4.991455       0.3369901 5.734983       0.4809625 4.274447       0.4723074 3.275187       1.522213  
1 1 1 8   9  43 o 82.71512 1.060519  68.51921       1.727869  69.49784       2.696340  67.83732       2.250735  0.9503098      2.121038  
1 1 1 8   9  44 o 85.78309 1.447616  74.05391       2.480522  75.61411       3.613897  72.66408       3.410875  1.682816       2.895232  
1 1 1 8   9  45 o 28.83029 0.7395281 8.297509       0.4246688 9.428031       0.6199919 7.298315       0.5828703 3.689844       1.479056  
1 1 1 8   9  46 o 59.19205 0.8004848 35.10484       0.9473435 34.16467       1.320152  36.10297       1.360239  -1.632744      1.600970  
1 1 1 8   9  47 f 32.59273 0.7236970 10.62837       0.4713500 10.13957       0.6515273 11.16514       0.6827472 -1.569973      1.447394  
1 1 1 8   9  48 o 52.23893 0.7651864 27.36269       0.7994014 27.63514       1.138255  27.09752       1.122949  0.5125885      1.530373  
1 1 1 8   9  49 o 34.57186 0.7407691 11.97547       0.5119467 12.50181       0.7347311 11.47880       0.7137295 1.476791       1.481538  
1 1 1 8   9  50 f 56.72968 0.8054357 32.29121       0.9137893 32.42791       1.300396  32.15786       1.284340  0.2356110      1.610871  
1 1 1 8   9  51 o 27.74804 0.8142177 7.714682       0.4513440 7.228307       0.6248815 8.245189       0.6526149 -1.827835      1.628435  
1 1 1 8   9  52 o 24.58648 0.8545167 6.060749       0.4193454 5.541327       0.5802516 6.628641       0.6067215 -2.206150      1.709033  
1 1 1 8   9  53 o 15.61187 1.200772  2.485355       0.3685262 1.958602       0.5199553 3.017077       0.5224028 -3.389312      2.401544  
1 1 1 8   9  54 o 45.27758 1.030789  20.54584       0.9288772 19.61560       1.242902  21.72272       1.397994  -2.286697      2.061577  
1 1 1 8   9  55 f 35.99849 1.598280  0.000000       0.000000  ?              ?         13.07452       1.150713  ?              ?         
1 1 1 8   10 0  o 600.4576 6.260943  3501.364       73.01198  3169.523       91.18369  4094.235       121.8800  -76.44696      12.52189  
1 1 1 8   10 1  o 102.8920 1.118856  105.8782       2.302421  106.0657       3.259794  105.6917       3.252449  0.1817169      2.237712  
1 1 1 8   10 2  o 176.4030 1.856522  310.6376       6.539253  321.9059       9.582854  300.8178       8.945781  5.973663       3.713045  
1 1 1 8   10 3  o 237.6544 2.480649  565.1030       11.79067  566.1216       16.70950  564.0928       16.63977  0.4263000      4.961298  
1 1 1 8   10 4  o 113.2426 1.228546  127.8568       2.774927  123.1686       3.762480  133.4484       4.109065  -4.537415      2.457093  
1 1 1 8   10 5  f 89.89410 1.000840  80.49467       1.794233  84.94216       2.662684  76.79559       2.428335  4.530380       2.001680  
1 1 1 8   10 6  o 223.8427 2.338542  501.3389       10.46916  502.7396       14.85213  499.9557       14.75957  0.6210175      4.677083  
1 1 1 8   10 7  o 203.9802 2.138840  415.1933       8.706158  432.0863       12.83627  400.8018       11.84779  7.659958       4.277680  
1 1 1 8   10 8  o 95.13911 1.050942  90.34277       1.996562  93.66707       2.924339  87.44025       2.732539  3.271599       2.101883  
1 1 1 8   10 9  o 110.3333 1.194471  121.0860       2.624132  128.6309       3.940408  115.0733       3.517639  6.141541       2.388941  
1 1 1 8   10 10 o 145.1849 1.541985  210.7800       4.476043  207.9054       6.236837  213.8331       6.427635  -2.039963      3.083969  
1 1 1 8   10 11 o 224.0924 2.344186  502.4991       10.50442  497.4510       14.69106  507.7798       15.02557  -2.300293      4.688371  
1 1 1 8   10 12 o 214.6789 2.246548  461.1389       9.643505  455.7541       13.46585  466.8081       13.81687  -2.569839      4.493097  
1 1 1 8   10 13 o 121.3211 1.306101  147.1649       3.167778  144.9848       4.403409  149.5034       4.560552  -1.860863      2.612203  
1 1 1 8   10 14 f 79.02736 0.9019471 61.25826       1.405128  55.81311       1.811226  69.48914       2.226850  -8.649925      1.803894  
1 1 1 8   10 15 o 131.0859 1.402110  171.8957       3.675591  173.0241       5.240564  170.8031       5.156593  0.8462219      2.804219  
1 1 1 8   10 16 o 147.4229 1.565088  217.4156       4.613935  215.2628       6.459494  219.6580       6.592723  -1.489014      3.130176  
1 1 1 8   10 17 f 261.4763 2.727732  684.6094       14.26097  693.4904       20.45143  676.2041       19.89614  3.293701       5.455465  
1 1 1 8   10 18 o 185.3770 2.768619  344.2548       10.26442  345.8337       14.58769  342.7065       14.44553  0.8401947      5.537239  
1 1 1 8   10 19 o 147.5453 2.232028  217.0375       6.562826  228.5327       9.791259  207.6602       8.843425  7.054291       4.464055  
1 1 1 8   10 20 o 163.2664 2.227337  268.2083       7.192668  276.4369       9.574676  257.5498       10.89709  5.811676       4.454674  
1 1 1 8   10 21 o 123.2108 1.329314  151.8550       3.275112  150.3467       4.579579  153.4340       4.685658  -1.251419      2.658627  
1 1 1 8   10 22 o 66.43124 0.7995774 44.13629       1.062272  44.44114       1.512483  43.83952       1.492281  0.4526367      1.599155  
1 1 1 8   10 23 o 126.6814 1.364089  160.4148       3.453230  156.7390       4.768229  164.4692       5.007782  -3.047211      2.728178  
1 1 1 8   10 24 o 35.70034 0.6158020 12.73883       0.4395445 12.35201       0.6130105 13.14813       0.6305815 -1.114861      1.231604  
1 1 1 8   10 25 o 135.8553 1.456498  183.9244       3.943110  175.7886       5.311865  193.9102       5.884850  -6.656555      2.912996  
1 1 1 8   10 26 o 57.60762 0.7395560 33.03741       0.8496236 31.19399       1.149364  35.25827       1.261555  -3.526154      1.479112  
1 1 1 8   10 27 o 68.21867 0.8233572 46.27483       1.118626  43.66668       1.500479  49.53810       1.678381  -4.300385      1.646714  
1 1 1 8   10 28 o 25.99964 0.6340495 6.671937       0.3269525 8.014636       0.4926448 5.615010       0.4370863 4.613911       1.268099  
1 1 1 8   10 29 o 125.7522 1.362382  157.7327       3.415444  150.9615       4.613134  165.9472       5.081030  -5.940819      2.724763  
1 1 1 8   10 30 o 138.9556 1.490477  192.7588       4.129653  184.7825       5.585072  202.3795       6.133848  -6.305313      2.980955  
1 1 1 8   10 31 o 11.55515 0.9706389 1.335804       0.2242190 1.357403       0.3228438 1.315678       0.3116400 0.1801662      1.941278  
1 1 1 8   10 32 o 169.4932 1.800490  287.6461       6.090276  277.6526       8.292901  299.3464       8.973165  -6.347656      3.600981  
1 1 1 8   10 33 o 80.39857 0.9292341 64.63229       1.492672  66.39101       2.170315  63.05362       2.056216  2.070686       1.858468  
1 1 1 8   10 34 o 54.62634 0.7763595 29.88422       0.8456498 32.93188       1.207359  26.94929       1.184819  5.475048       1.552719  
1 1 1 8   10 35 o 64.15227 1.089441  41.20750       1.397299  42.03309       2.009259  40.43428       1.944492  1.242287       2.178883  
1 1 1 8   10 36 o 23.64252 0.8308209 5.598206       0.3927031 5.733213       0.5527499 5.460611       0.5580196 0.5767632      1.661642  
1 1 1 8   10 37 f 50.27190 0.8312206 25.65522       0.8152624 23.58167       1.274253  27.09223       1.060787  -3.503700      1.662441  
1 1 1 8   10 38 o 39.48666 0.6526872 15.56587       0.5147257 16.36507       0.7526499 14.86366       0.7054999 1.898975       1.305374  
1 1 1 8   10 39 o 31.01349 0.6591687 9.285220       0.4011703 12.17011       0.6364477 7.383403       0.5167526 7.710674       1.318337  
1 1 1 8   10 40 o 20.22681 0.7459839 4.111481       0.3004870 3.701362       0.4272753 4.512802       0.4226677 -2.006161      1.491968  
1 1 1 8   10 41 o 47.71567 0.7062983 22.58342       0.6703820 24.94552       1.014584  20.75305       0.8931166 4.384312       1.412597  
1 1 1 8   10 42 o 11.84172 2.059942  1.431412       0.4883140 1.937832       0.7435720 1.047387       0.6475112 3.492907       4.119883  
1 1 1 8   10 43 o 76.32996 1.146474  57.72632       1.617696  56.47903       1.936711  60.60494       2.942204  -2.566513      2.292948  
1 1 1 8   10 44 f 71.45340 0.8847939 50.88774       1.258947  54.52138       1.890508  47.99236       1.687566  4.545097       1.769588  
1 1 1 8   10 45 o 51.00330 0.7522730 26.03538       0.7668489 25.01937       1.061771  27.14323       1.108729  -2.077229      1.504546  
1 1 1 8   10 46 o 8.909914 1.619500  0.8390332      0.2920718 0.9643535      0.4003617 0.6964611      0.4270307 1.354333       3.239000  
1 1 1 8   10 47 o 25.67070 0.7726089 6.612243       0.3962536 6.956247       0.5601552 6.267667       0.5606197 1.341236       1.545218  
1 1 1 8   10 48 o 42.54986 0.7253405 18.11199       0.6165479 19.03994       0.8983833 17.28582       0.8476847 2.054787       1.450681  
1 1 1 8   10 49 o 36.30854 0.7317582 13.21843       0.5313547 13.40501       0.7536060 13.03397       0.7493104 0.5103951      1.463516  
1 1 1 8   10 50 o 40.34434 0.7468189 16.32262       0.6024731 16.79689       0.8592568 15.86398       0.8449740 1.154095       1.493638  
1 1 1 8   10 51 o 33.03914 0.7612184 10.90356       0.5018418 11.86485       0.7385247 10.07892       0.6840272 2.693970       1.522437  
1 1 1 8   10 52 o 12.56216 1.492164  1.643016       0.3542591 1.061412       0.4856233 2.304581       0.5179319 -5.099376      2.984328  
1 1 1 8   10 53 o 16.93867 1.375919  2.884820       0.4607406 2.775605       0.6024506 3.038700       0.7151087 -0.7399273     2.751839  
1 1 1 8   10 54 o 33.06708 1.047865  11.07340       0.6894536 11.90438       0.9541864 10.16560       0.9973119 2.640297       2.095730  
1 1 1 8   10 55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   11 0  o 241.3138 2.722842  582.2060       12.98450  586.3027       19.99766  579.2200       17.07292  1.439423       5.445683  
1 1 1 8   11 1  o 61.61348 0.7400153 37.57737       0.9056687 41.22758       1.382849  34.83565       1.198466  5.186630       1.480031  
1 1 1 8   11 2  o 49.07486 0.6507972 23.81320       0.6341949 21.92394       0.8379393 26.34661       0.9703283 -4.505714      1.301594  
1 1 1 8   11 3  o 302.0259 3.142160  911.3123       18.94638  943.3651       27.80507  883.5309       25.88619  9.881653       6.284321  
1 1 1 8   11 4  o 246.6402 2.573799  607.3099       12.66974  630.6997       18.64975  587.2631       17.26564  8.790863       5.147598  
1 1 1 8   11 5  o 353.1068 3.672481  1248.702       25.93093  1237.400       36.26897  1260.520       37.08851  -3.260651      7.344962  
1 1 1 8   11 6  o 170.5920 1.801353  288.6280       6.101379  311.2995       9.325222  271.6576       8.067986  11.60838       3.602706  
1 1 1 8   11 7  o 292.5211 3.044838  856.7703       17.81314  860.1002       25.29793  853.4958       25.08659  1.125671       6.089675  
1 1 1 8   11 8  o 393.6837 4.090540  1553.674       32.20687  1548.050       45.36869  1559.389       45.72824  -1.432373      8.181081  
1 1 1 8   11 9  o 66.25903 0.8730358 41.48025       1.082645  37.52930       1.292172  50.78709       1.983219  -10.00114      1.746072  
1 1 1 8   11 10 o 132.9252 1.419613  175.9474       3.759918  168.0441       5.061281  185.6802       5.616632  -6.629089      2.839226  
1 1 1 8   11 11 o 251.5397 2.626966  633.4164       13.21326  627.3999       18.47576  639.7153       18.90435  -2.440552      5.253933  
1 1 1 8   11 12 o 199.9153 2.097232  400.0249       8.385356  400.3944       11.87361  399.6572       11.84382  0.1839600      4.194464  
1 1 1 8   11 13 o 355.9494 3.705240  1270.893       26.37740  1268.372       37.22420  1273.436       37.38284  -0.7066040     7.410480  
1 1 1 8   11 14 o 129.0451 1.382714  166.3639       3.564444  171.2088       5.194306  162.0520       4.900301  3.544662       2.765428  
1 1 1 8   11 15 o 299.3481 3.812200  903.4586       21.70242  884.2737       36.72192  913.7560       26.90352  -5.211884      7.624401  
1 1 1 8   11 16 o 103.5936 1.626901  107.3590       3.370264  106.1374       4.718673  108.6311       4.815343  -1.202354      3.253802  
1 1 1 8   11 17 o 183.6533 2.745251  336.3380       10.04399  321.2965       13.50741  354.9407       15.02164  -9.123672      5.490503  
1 1 1 8   11 18 o 203.4460 2.306021  414.8851       9.302267  417.7017       12.39269  411.2499       14.07881  1.620926       4.612042  
1 1 1 8   11 19 o 137.5887 1.470119  188.6607       4.032095  198.3586       6.001863  180.6835       5.443439  6.415253       2.940238  
1 1 1 8   11 20 o 123.3868 1.329906  151.4683       3.266969  143.9288       4.376812  160.9538       4.909283  -6.891685      2.659811  
1 1 1 8   11 21 o 235.8148 2.467961  557.0974       11.63874  553.3263       16.33925  560.9818       16.58279  -1.616531      4.935921  
1 1 1 8   11 22 o 103.4459 1.140446  106.1044       2.342990  99.52060       3.100493  114.8695       3.577427  -7.412331      2.280891  
1 1 1 8   11 23 o 175.0801 1.849136  306.7352       6.471365  312.5835       9.339350  301.3339       8.975286  3.203568       3.698273  
1 1 1 8   11 24 o 128.0378 1.381757  163.8191       3.533746  159.3573       4.851440  168.8616       5.157538  -3.704933      2.763514  
1 1 1 8   11 25 o 100.2625 1.113293  100.5699       2.232130  99.70008       3.126263  101.4745       3.188060  -0.8837128     2.226586  
1 1 1 8   11 26 o 53.47620 0.7106093 28.53515       0.7588898 27.35321       1.039210  29.88562       1.110831  -2.366753      1.421219  
1 1 1 8   11 27 o 110.5850 1.210836  122.4075       2.677990  122.1301       3.779395  122.6873       3.795153  -0.2514648     2.421673  
1 1 1 8   11 28 o 133.6187 1.437659  178.8136       3.841753  179.8538       5.467279  177.7989       5.399476  0.7662811      2.875318  
1 1 1 8   11 29 o 22.04344 0.6635485 4.835644       0.2911094 4.205776       0.3975574 5.563787       0.4274475 -3.079670      1.327097  
1 1 1 8   11 30 o 66.84253 0.8108843 44.68839       1.083773  43.80241       1.512708  45.62277       1.553477  -1.360535      1.621769  
1 1 1 8   11 31 o 90.58363 1.025080  82.05608       1.855481  79.92075       2.559829  84.41996       2.693352  -2.477783      2.050160  
1 1 1 8   11 32 o 46.78434 0.6716465 21.89957       0.6283045 21.93880       0.8986859 21.86207       0.8787625 0.8139420E-01  1.343293  
1 1 1 8   11 33 f 68.08974 0.8296421 46.35348       1.128733  47.56490       1.639621  45.26222       1.556185  1.687515       1.659284  
1 1 1 8   11 34 o 30.25324 0.6327031 9.145011       0.3825448 9.526237       0.5538743 8.797277       0.5289836 1.203920       1.265406  
1 1 1 8   11 35 o 80.06576 0.9362392 64.02759       1.496653  61.44438       2.044867  67.00790       2.196424  -3.466248      1.872478  
1 1 1 8   11 36 o 28.02939 0.6425101 7.864742       0.3600686 7.656233       0.5101631 8.071707       0.5082702 -0.7412205     1.285020  
1 1 1 8   11 37 o 27.23681 0.7512169 7.466632       0.4017878 7.648272       0.5243929 7.208406       0.6252470 0.8127575      1.502434  
1 1 1 8   11 38 f 41.26919 0.8734936 16.80457       0.7149647 15.10634       0.9401132 19.13416       1.101085  -4.868717      1.746987  
1 1 1 8   11 39 o 82.71706 1.220725  68.79551       1.987041  67.97608       3.090349  69.37306       2.594452  -0.8970642     2.441450  
1 1 1 8   11 40 o 73.27040 1.298494  53.73369       1.898788  50.74488       2.584742  57.23746       2.798571  -4.402718      2.596988  
1 1 1 8   11 41 o 39.55203 0.8721856 15.39236       0.6312523 14.98627       0.7489299 16.38871       1.173084  -1.734245      1.744371  
1 1 1 8   11 42 o 31.71255 0.6752626 10.04971       0.4268510 8.948164       0.5897090 11.26203       0.6186470 -3.645916      1.350525  
1 1 1 8   11 43 o 32.99382 0.6824837 10.91137       0.4499793 10.42412       0.6375343 11.39507       0.6352056 -1.471600      1.364967  
1 1 1 8   11 44 o 28.54571 0.7031291 8.132159       0.4002882 8.573419       0.5938420 7.764715       0.5419027 1.411549       1.406258  
1 1 1 8   11 45 o 40.47735 0.6970576 16.42082       0.5641169 15.96298       0.7986981 16.87655       0.7968686 -1.128677      1.394115  
1 1 1 8   11 46 o 39.51510 0.7830579 15.79018       0.6119587 16.77162       0.8230199 14.57664       0.9151781 2.788170       1.566116  
1 1 1 8   11 47 o 15.88917 1.014885  2.519317       0.3203963 2.143776       0.4351829 2.963804       0.4734494 -2.573812      2.029769  
1 1 1 8   11 48 o 12.28544 1.359060  1.580053       0.3173706 1.910138       0.4397096 1.221087       0.4585422 2.983197       2.718119  
1 1 1 8   11 49 o 54.57191 0.7919477 29.87279       0.8640413 30.14818       1.241288  29.61393       1.203468  0.4838448      1.583895  
1 1 1 8   11 50 o 23.68888 0.8605441 5.652367       0.4056805 6.310886       0.5745074 4.997452       0.5729336 2.771988       1.721088  
1 1 1 8   11 51 f 29.90472 0.8015452 8.976105       0.4791566 8.582609       0.6713058 9.384786       0.6841360 -1.338924      1.603090  
1 1 1 8   11 52 f 32.96946 0.9189235 10.86944       0.6030844 11.52016       0.9068925 10.35353       0.8075123 1.748444       1.837847  
1 1 1 8   11 53 o 29.14832 1.575633  0.000000       0.000000  ?              ?         8.571292       0.9185408 ?              ?         
1 1 1 8   11 54 o 21.00084 2.910918  0.000000       0.000000  ?              ?         4.540814       1.222634  ?              ?         
1 1 1 8   12 0  o 203.3549 3.009027  412.3031       12.19448  433.3914       18.18513  395.0720       16.43811  9.398102       6.018054  
1 1 1 8   12 1  o 362.7281 5.367262  1307.300       38.57764  1415.887       59.55663  1228.805       50.63644  25.56680       10.73452  
1 1 1 8   12 2  o 226.7419 3.348525  512.9694       15.13682  538.0600       22.50557  492.2437       20.45450  10.07043       6.697051  
1 1 1 8   12 3  o 78.52817 1.078019  61.91718       1.622455  60.82930       2.702838  62.52999       2.028598  -1.086388      2.156039  
1 1 1 8   12 4  o 209.9810 2.200217  440.3655       9.224873  455.5982       13.51860  427.0915       12.61963  6.777786       4.400434  
1 1 1 8   12 5  o 121.3167 1.306447  146.5847       3.159014  154.5344       4.707921  140.0742       4.260545  5.956566       2.612894  
1 1 1 8   12 6  o 552.1298 5.749827  3064.175       63.48773  3043.491       89.10267  3085.506       90.48368  -3.760315      11.49965  
1 1 1 8   12 7  o 161.6085 1.712872  260.9370       5.529209  254.5315       7.594580  268.1617       8.065626  -4.212234      3.425744  
1 1 1 8   12 8  o 137.2377 1.464442  188.4150       4.019534  188.4638       5.684848  188.3661       5.684110  0.3555298E-01  2.928885  
1 1 1 8   12 9  f 252.4383 2.634442  637.7166       13.29349  649.7256       19.18088  626.6166       18.44062  4.563614       5.268885  
1 1 1 8   12 10 o 239.1227 2.499434  572.4717       11.95203  577.8448       17.06071  567.2930       16.74905  2.200485       4.998869  
1 1 1 8   12 11 o 212.9807 2.231814  454.0989       9.506360  451.8245       13.37915  456.4179       13.50985  -1.076035      4.463629  
1 1 1 8   12 12 o 109.9447 1.707990  120.2520       3.738284  114.0846       5.005022  128.0339       5.622080  -6.335289      3.415980  
1 1 1 8   12 13 o 183.0656 2.737504  334.8740       10.00189  347.6462       14.72476  323.9330       13.62839  6.453247       5.475008  
1 1 1 8   12 14 o 260.5735 3.860837  680.9357       20.11242  670.9186       27.97071  691.6596       28.94059  -3.950226      7.721674  
1 1 1 8   12 15 o 344.1418 4.381016  1195.950       28.68338  1210.177       35.57985  1169.540       48.47745  6.376465       8.762033  
1 1 1 8   12 16 f 237.9252 2.488625  565.9638       11.82406  549.8054       16.19554  584.4073       17.30283  -7.246887      4.977249  
1 1 1 8   12 17 f 87.45357 0.9875106 76.43039       1.726187  78.47614       2.494632  74.55098       2.391055  2.243187       1.975021  
1 1 1 8   12 18 o 186.8771 2.794711  349.9693       10.44451  347.5138       14.66003  352.5005       14.88407  -1.327957      5.589422  
1 1 1 8   12 19 o 97.94737 1.085436  95.75732       2.122711  92.51045       2.901668  99.49542       3.113441  -3.563202      2.170872  
1 1 1 8   12 20 o 77.27075 0.8957011 59.48213       1.380232  62.79067       2.048691  56.73230       1.867722  3.918381       1.791402  
1 1 1 8   12 21 o 36.32682 0.6246850 12.98533       0.4501820 15.21387       0.6890523 11.32567       0.5946381 5.350967       1.249370  
1 1 1 8   12 22 f 161.8961 1.717402  262.4018       5.560583  261.1564       7.821717  263.6742       7.906676  -0.7755280     3.434803  
1 1 1 8   12 23 o 71.95371 0.8630201 51.64948       1.239985  54.30717       1.817221  49.33391       1.696233  3.454208       1.726040  
1 1 1 8   12 24 o 84.28822 0.9628621 71.04371       1.622576  72.28126       2.332798  69.88387       2.258351  1.420891       1.925724  
1 1 1 8   12 25 o 35.70803 0.6289169 12.39954       0.4428139 15.49144       0.6945279 10.28182       0.5747935 7.293163       1.257834  
1 1 1 8   12 26 o 64.04207 0.7959148 40.99960       1.019004  42.12502       1.467530  39.95179       1.416029  1.695755       1.591830  
1 1 1 8   12 27 o 115.5186 1.259647  132.9292       2.898441  140.9031       4.340855  126.5140       3.893557  6.212433       2.519293  
1 1 1 8   12 28 o 78.55412 0.9183287 61.23470       1.434322  57.22184       1.907039  66.46134       2.176426  -5.872978      1.836657  
1 1 1 8   12 29 o 100.3974 1.116616  100.8921       2.241648  102.2007       3.209628  99.64597       3.132131  1.269287       2.233232  
1 1 1 8   12 30 o 40.08567 0.6407952 16.07358       0.5136804 15.75967       0.7215926 16.39609       0.7314145 -0.7935638     1.281590  
1 1 1 8   12 31 o 110.3670 1.212958  122.0140       2.677057  120.6131       3.748883  123.4717       3.824099  -1.290932      2.425917  
1 1 1 8   12 32 o 17.62842 0.7459876 3.087752       0.2614618 3.604033       0.3865487 2.652331       0.3549895 2.698200       1.491975  
1 1 1 8   12 33 o 159.9166 1.709553  256.6310       5.463715  251.2645       7.555398  262.5137       7.910550  -3.484924      3.419105  
1 1 1 8   12 34 o 56.65238 0.7458623 31.78090       0.8401685 28.97440       1.117161  35.43487       1.274724  -5.695229      1.491725  
1 1 1 8   12 35 o 60.70029 0.7745464 36.88167       0.9402398 36.30913       1.322188  37.46741       1.337341  -0.9533348     1.549093  
1 1 1 8   12 36 o 54.70537 0.7319195 29.94589       0.8004288 30.35316       1.152614  29.56653       1.112411  0.7169075      1.463839  
1 1 1 8   12 37 o 33.53386 0.6473814 11.19435       0.4326922 10.00868       0.5898703 12.57550       0.6366412 -3.824865      1.294763  
1 1 1 8   12 38 o 73.98827 1.304881  54.90165       1.928464  56.22365       2.811560  53.72710       2.650114  1.669106       2.609762  
1 1 1 8   12 39 o 50.08736 1.213406  25.13817       1.215526  25.13817       1.215526  ?              ?         ?              ?         
1 1 1 8   12 40 o 38.09389 0.8577334 14.53960       0.6533820 14.18253       0.9166864 14.90833       0.9315361 -0.9513092     1.715467  
1 1 1 8   12 41 o 37.29193 0.8037687 14.04266       0.5941207 12.93502       0.8792514 14.97332       0.8059529 -2.739540      1.607537  
1 1 1 8   12 42 o 28.17397 0.6939830 7.916368       0.3899318 8.403279       0.5787376 7.511570       0.5276852 1.578100       1.387966  
1 1 1 8   12 43 o 28.69241 0.7060059 8.222655       0.4044376 8.688246       0.5937001 7.819519       0.5524477 1.509945       1.412012  
1 1 1 8   12 44 o 9.404979 1.414814  0.8994731      0.2674567 1.373903       0.3965290 0.5034807      0.3622703 4.566103       2.829628  
1 1 1 8   12 45 o 30.23721 0.7139078 9.042089       0.4288001 10.29177       0.6537292 8.098411       0.5680808 3.617939       1.427816  
1 1 1 8   12 46 o 45.93893 0.7294864 21.12388       0.6693350 21.75157       0.9772943 20.56933       0.9185956 1.279682       1.458973  
1 1 1 8   12 47 o 7.791668 1.619962  0.6202599      0.2687607 0.6952940      0.3990040 0.5579423      0.3636249 0.7748847      3.239924  
1 1 1 8   12 48 o 61.78837 0.9129108 38.30413       1.114583  38.10049       1.465223  38.58381       1.717085  -0.3494034     1.825822  
1 1 1 8   12 49 o 8.698853 1.748308  0.7908388      0.3198287 0.8752662      0.4444745 0.7001873      0.4605667 0.8367805      3.496615  
1 1 1 8   12 50 o 41.45369 0.7619674 17.23921       0.6315452 16.66924       0.8845953 17.83175       0.9019367 -1.399303      1.523935  
1 1 1 8   12 51 o 14.30486 1.470713  2.168344       0.3947188 1.580579       0.5734752 2.697465       0.5441146 -4.096751      2.941426  
1 1 1 8   12 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   12 53 o 22.00747 1.174135  4.957365       0.5091670 5.465085       0.6886250 4.345013       0.7562597 2.563995       2.348269  
1 1 1 8   13 0  o 146.6095 1.559227  214.9819       4.571207  212.7561       6.395653  217.3065       6.535955  -1.550674      3.118455  
1 1 1 8   13 1  f 358.0490 3.724090  1282.783       26.63081  1321.862       38.90986  1248.344       36.52634  10.21613       7.448181  
1 1 1 8   13 2  o 105.2915 1.394977  111.9368       2.819163  114.7377       3.545907  107.1245       4.647882  3.624184       2.789954  
1 1 1 8   13 3  o 571.9771 8.485918  3307.719       96.96890  3227.332       133.4602  3397.611       141.1305  -14.49109      16.97184  
1 1 1 8   13 4  o 310.7491 4.582172  969.2824       28.47810  969.0901       40.25400  969.4752       40.29426  -0.6082153E-01 9.164344  
1 1 1 8   13 5  o 169.0476 2.516099  286.1103       8.506765  285.3452       12.00746  286.8813       12.05344  -0.4535828     5.032197  
1 1 1 8   13 6  o 139.1242 1.803104  194.6745       4.783162  190.3627       8.048601  197.0288       5.947322  -2.422241      3.606208  
1 1 1 8   13 7  o 284.9975 2.971371  813.5916       16.93346  822.2275       24.23014  805.3470       23.67460  2.949066       5.942743  
1 1 1 8   13 8  o 223.7768 2.900791  496.0602       12.00776  516.5081       21.77695  487.1273       14.39361  6.397568       5.801582  
1 1 1 8   13 9  o 151.6365 2.288385  230.0049       6.934919  235.3208       10.04203  225.1582       9.588593  3.342590       4.576770  
1 1 1 8   13 10 o 196.5540 2.930970  386.1291       11.49767  373.3305       15.66466  401.0774       16.92919  -7.028946      5.861940  
1 1 1 8   13 11 o 101.6825 1.607818  103.0221       3.259576  108.7115       4.846538  98.32310       4.404565  5.102737       3.215637  
1 1 1 8   13 12 o 137.8049 1.474312  189.2348       4.050117  199.0367       6.027093  181.1643       5.468957  6.478073       2.948625  
1 1 1 8   13 13 o 186.7472 1.964715  349.0575       7.337871  347.5935       10.32867  350.5493       10.42666  -0.7897339     3.929430  
1 1 1 8   13 14 o 85.76357 0.9690064 73.51119       1.661086  75.21111       2.400651  71.94975       2.300789  1.900490       1.938013  
1 1 1 8   13 15 o 289.9929 3.026703  841.4698       17.52790  869.2055       25.64686  817.1608       24.01037  8.927490       6.053407  
1 1 1 8   13 16 o 312.5374 3.257440  979.6546       20.36095  976.0878       28.67684  983.2808       28.91410  -1.143127      6.514880  
1 1 1 8   13 17 o 177.9536 1.878011  316.8370       6.680953  322.3862       9.623307  311.6738       9.282495  3.003143       3.756022  
1 1 1 8   13 18 o 241.8887 2.531003  586.2518       12.24398  589.1122       17.40458  583.4495       17.22797  1.165573       5.062007  
1 1 1 8   13 19 o 66.61179 0.8085026 44.34859       1.076594  43.38594       1.494383  45.38736       1.552337  -1.501755      1.617005  
1 1 1 8   13 20 f 240.7054 2.519723  580.0013       12.11667  565.7195       16.67105  595.9938       17.64119  -6.256592      5.039446  
1 1 1 8   13 21 o 178.9634 1.890700  320.6602       6.765390  316.5157       9.433677  325.0490       9.707617  -2.376236      3.781400  
1 1 1 8   13 22 o 153.1660 1.630836  234.8545       4.995213  236.8398       7.128484  232.9392       7.001814  1.269958       3.261672  
1 1 1 8   13 23 o 101.6690 1.124335  103.4203       2.285953  104.3286       3.261814  102.5436       3.204596  0.8766708      2.248670  
1 1 1 8   13 24 o 40.50037 0.6360658 16.15524       0.5111931 18.67653       0.7832403 14.28426       0.6747113 5.420998       1.272132  
1 1 1 8   13 25 o 96.35048 1.074580  92.85608       2.069808  94.56960       2.981117  91.26125       2.876013  1.714073       2.149160  
1 1 1 8   13 26 o 48.82502 0.6826599 23.58956       0.6625464 21.55767       0.8796406 26.25364       1.007231  -4.806484      1.365320  
1 1 1 8   13 27 f 91.71896 1.033491  84.19783       1.895673  83.47884       2.661123  84.93861       2.701096  -0.7944260     2.066982  
1 1 1 8   13 28 o 104.1285 1.151613  108.4958       2.396966  110.6717       3.460197  106.4884       3.323574  2.003197       2.303227  
1 1 1 8   13 29 f 42.40481 0.6576236 17.72075       0.5533538 15.78754       0.7296286 20.33818       0.8489833 -5.362427      1.315247  
1 1 1 8   13 30 o 111.3329 1.223977  124.0629       2.723208  127.1937       3.947272  121.2193       3.761814  2.672813       2.447954  
1 1 1 8   13 31 o 115.5265 1.266685  132.8141       2.910063  142.3225       4.407149  125.4635       3.874931  7.263672       2.533370  
1 1 1 8   13 32 o 52.99043 0.9562017 28.09196       1.012780  27.38333       1.402814  28.86343       1.463699  -1.393471      1.912403  
1 1 1 8   13 33 o 32.20885 0.6485525 10.15130       0.4109885 7.924098       0.5418246 13.16905       0.6306968 -8.138880      1.297105  
1 1 1 8   13 34 o 106.4828 1.180800  113.6361       2.513921  115.1502       3.608953  112.2091       3.503820  1.373009       2.361599  
1 1 1 8   13 35 o 87.60707 1.006101  76.87289       1.762414  75.49113       2.459905  78.33021       2.526281  -1.615669      2.012202  
1 1 1 8   13 36 o 86.88089 1.453942  75.52711       2.517869  79.32914       3.749563  72.40471       3.397955  3.946022       2.907885  
1 1 1 8   13 37 o 83.74552 1.278931  70.72894       2.111668  72.43775       2.781862  68.40555       3.243769  2.457184       2.557863  
1 1 1 8   13 38 o 17.78654 0.7988827 3.155303       0.2835321 3.453446       0.4160858 2.896854       0.3873991 1.562466       1.597765  
1 1 1 8   13 39 o 39.97478 0.6748587 15.99685       0.5393567 15.40869       0.7564170 16.60519       0.7692769 -1.495667      1.349717  
1 1 1 8   13 40 o 45.13566 0.6996962 20.37356       0.6308787 20.99649       0.9194980 19.81948       0.8671921 1.299778       1.399392  
1 1 1 8   13 41 o 7.156843 1.612454  0.5067965      0.2601877 0.5369911      0.3623332 0.4746505      0.3738593 0.2924204      3.224909  
1 1 1 8   13 42 o 35.95509 0.8612586 12.88668       0.6173988 14.00150       0.9179997 11.96598       0.8342623 2.821056       1.722517  
1 1 1 8   13 43 o 46.91994 0.9324635 22.04414       0.8740567 21.11345       1.202259  23.08754       1.272976  -2.094589      1.864927  
1 1 1 8   13 44 o 32.50801 0.7075655 10.52437       0.4586119 11.56779       0.6801777 9.654593       0.6210043 2.936541       1.415131  
1 1 1 8   13 45 o 69.00478 1.136431  45.72920       1.373567  52.42215       2.785468  43.57880       1.578883  6.193420       2.272861  
1 1 1 8   13 46 o 31.70790 0.7251238 10.04353       0.4587342 10.59547       0.6780961 9.577783       0.6229079 1.597746       1.450248  
1 1 1 8   13 47 o 21.56787 0.8285696 4.695920       0.3540395 3.952459       0.5002052 5.442254       0.5011709 -3.453598      1.657139  
1 1 1 8   13 48 o 24.73947 0.8113423 6.128389       0.3971353 6.238515       0.6102886 6.047504       0.5230240 0.3722782      1.622685  
1 1 1 8   13 49 o 42.66185 0.8503559 18.14285       0.6976609 18.76294       1.167436  17.79838       0.8701255 1.078621       1.700712  
1 1 1 8   13 50 o 37.81187 1.186775  0.000000       0.000000  ?              ?         14.36028       0.8974838 ?              ?         
1 1 1 8   13 51 o 19.23863 1.652021  3.734437       0.6356522 3.734437       0.6356522 ?              ?         ?              ?         
1 1 1 8   13 52 f 16.48760 1.429838  2.781093       0.4608617 2.877289       0.5983255 2.640769       0.7226493 0.7615891      2.859677  
1 1 1 8   13 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   14 0  o 83.17817 0.9398684 67.94048       1.542186  76.69373       2.436351  62.08852       1.992078  8.776489       1.879737  
1 1 1 8   14 1  o 105.0884 1.147877  110.4122       2.411644  112.3030       3.469003  108.6437       3.355012  1.740120       2.295754  
1 1 1 8   14 2  f 245.6615 2.567461  602.8006       12.58706  626.6533       18.54745  582.4363       17.13761  8.972336       5.134923  
1 1 1 8   14 3  o 358.4946 3.732358  1288.872       26.75617  1301.486       38.25581  1276.793       37.43541  3.420166       7.464717  
1 1 1 8   14 4  o 108.0192 1.183968  116.4999       2.554317  120.7246       3.732802  112.7797       3.502852  3.675339       2.367937  
1 1 1 8   14 5  o 176.9220 2.276960  316.0694       7.707861  303.9922       12.81433  322.9164       9.648454  -5.405579      4.553920  
1 1 1 8   14 6  o 190.7429 4.029117  364.4992       15.37051  364.4992       15.37051  ?              ?         ?              ?         
1 1 1 8   14 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   14 8  o 124.4818 2.655591  155.0773       6.611455  155.0773       6.611455  ?              ?         ?              ?         
1 1 1 8   14 9  o 152.9796 2.284102  232.9307       6.953831  221.4218       9.297094  247.5453       10.47663  -8.516907      4.568203  
1 1 1 8   14 10 o 26.23513 0.6298909 6.909472       0.3252620 6.732708       0.5037135 7.035886       0.4259767 -0.5782166     1.259782  
1 1 1 8   14 11 o 165.6288 1.753061  273.9702       5.796985  283.6977       8.504825  265.5294       7.922472  5.475677       3.506122  
1 1 1 8   14 12 o 89.70071 1.007403  79.94463       1.798043  85.63197       2.713722  75.49400       2.400605  5.648140       2.014805  
1 1 1 8   14 13 o 156.5620 1.661069  245.2022       5.199525  241.8191       7.243724  248.7979       7.467876  -2.225281      3.322139  
1 1 1 8   14 14 o 248.9734 2.603922  620.0229       12.94772  639.5310       18.92398  602.8531       17.75368  7.335602       5.207843  
1 1 1 8   14 15 f 200.3652 2.107044  401.9912       8.443513  401.5165       11.91700  402.4696       11.96501  -0.2367554     4.214087  
1 1 1 8   14 16 o 256.6292 2.682935  660.0206       13.76954  663.9101       19.60291  656.2326       19.34577  1.488251       5.365870  
1 1 1 8   14 17 o 93.11697 1.505675  86.71429       2.802490  85.14349       3.885774  88.41706       4.045702  -1.754967      3.011350  
1 1 1 8   14 18 o 102.1963 1.130857  104.3726       2.309268  101.9345       3.184970  107.0749       3.353110  -2.512566      2.261714  
1 1 1 8   14 19 o 52.72544 0.7118090 27.48794       0.7458398 30.72553       1.135504  25.03123       0.9891339 5.398449       1.423618  
1 1 1 8   14 20 o 98.17155 1.091610  95.89568       2.134144  91.02612       2.862893  101.9861       3.201722  -5.576164      2.183221  
1 1 1 8   14 21 o 160.3099 1.703982  256.0279       5.439641  244.0150       7.297360  271.0504       8.160416  -8.406967      3.407964  
1 1 1 8   14 22 o 93.67850 1.050910  87.81071       1.968930  87.52586       2.776365  88.09895       2.792681  -0.3055420     2.101819  
1 1 1 8   14 23 o 43.56716 0.6603760 18.97331       0.5751833 19.72001       0.8248443 18.26654       0.8024806 1.667736       1.320752  
1 1 1 8   14 24 o 82.03461 0.9445617 67.31461       1.549284  68.37109       2.223721  66.31808       2.159719  1.249748       1.889123  
1 1 1 8   14 25 f 77.43391 0.9065095 59.18225       1.390290  54.47191       1.818956  65.80048       2.156090  -7.305702      1.813019  
1 1 1 8   14 26 o 134.2596 1.445934  180.5061       3.880769  177.3341       5.389251  183.9223       5.592885  -2.443665      2.891867  
1 1 1 8   14 27 f 121.5018 1.323723  147.7735       3.214559  151.0040       4.648853  144.8137       4.449821  2.537827       2.647446  
1 1 1 8   14 28 o 77.11710 0.9056571 59.49154       1.396212  58.29684       1.939636  60.77631       2.011404  -1.604790      1.811314  
1 1 1 8   14 29 o 82.29141 0.9526494 67.46092       1.562026  71.56513       2.334440  64.13369       2.101892  4.505173       1.905299  
1 1 1 8   14 30 f 24.05956 0.6746624 5.711243       0.3193083 4.404739       0.4269551 7.369443       0.4810005 -6.159389      1.349325  
1 1 1 8   14 31 o 48.23607 0.8477842 23.25078       0.8090701 23.57373       1.242461  23.01302       1.066080  0.5732269      1.695568  
1 1 1 8   14 32 o 106.2455 1.177775  113.0824       2.501670  114.7997       3.598802  111.4767       3.479979  1.555870       2.355549  
1 1 1 8   14 33 o 37.53569 0.6502742 14.07870       0.4874539 14.47883       0.7125586 13.72674       0.6682963 0.9999580      1.300548  
1 1 1 8   14 34 f 17.50136 1.495462  3.141992       0.5123305 2.575235       0.7566523 3.621813       0.6962059 -2.996208      2.990923  
1 1 1 8   14 35 o 111.5313 1.527140  124.6988       3.188459  124.1133       3.874565  125.9271       5.611938  -0.6139679     3.054281  
1 1 1 8   14 36 o 22.32655 0.7046202 4.921015       0.3121145 5.874446       0.4717635 4.178847       0.4162276 3.793972       1.409240  
1 1 1 8   14 37 o 45.30315 0.6924112 20.05726       0.6191171 23.78171       0.9765784 17.55444       0.8005537 6.861351       1.384822  
1 1 1 8   14 38 o 30.56949 0.6685976 9.362041       0.4085643 9.122964       0.5818716 9.594537       0.5738071 -0.7718754     1.337195  
1 1 1 8   14 39 f 18.11924 0.8045430 3.301167       0.2904455 3.115690       0.4217910 3.468421       0.4005368 -0.9752445     1.609086  
1 1 1 8   14 40 o 26.09316 0.6969386 6.814795       0.3632885 6.919975       0.5282516 6.720407       0.5004131 0.3800716      1.393877  
1 1 1 8   14 41 o 42.98384 0.7011606 18.51140       0.6026225 18.44070       0.8609660 18.57930       0.8437681 -0.1628075     1.402321  
1 1 1 8   14 42 o 39.09306 0.6884063 15.31703       0.5379884 14.83954       0.7629579 15.78922       0.7587207 -1.215038      1.376813  
1 1 1 8   14 43 o 25.60432 0.7762511 6.602678       0.3956392 7.135924       0.5501152 6.031349       0.5694208 2.159187       1.552502  
1 1 1 8   14 44 o 42.45499 0.9085688 18.05394       0.7706599 18.89710       1.121399  17.29934       1.060874  1.873203       1.817138  
1 1 1 8   14 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   14 46 o 21.59097 0.8474129 4.708938       0.3629253 4.050673       0.5164668 5.351073       0.5101002 -3.012392      1.694826  
1 1 1 8   14 47 o 18.05035 0.9415922 3.268659       0.3359271 3.306485       0.5174978 3.241112       0.4416193 0.1675167      1.883184  
1 1 1 8   14 48 o 36.07209 0.8520202 12.78362       0.5983139 14.26673       0.9856477 11.91826       0.7528973 3.215366       1.704040  
1 1 1 8   14 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   14 50 f 31.69457 0.9222310 10.09336       0.5843093 10.31834       0.8424990 9.884842       0.8110729 0.6772804      1.844462  
1 1 1 8   14 51 o 48.63857 1.016262  23.60951       0.9829658 21.84293       1.307597  25.90500       1.490549  -4.129128      2.032523  
1 1 1 8   14 52 o 52.28331 1.060371  27.51711       1.107187  26.99359       1.519484  28.10972       1.616624  -1.042114      2.120742  
1 1 1 8   15 0  o 286.2958 2.986104  821.2953       17.09808  819.3755       24.12937  823.2314       24.23162  -0.6709595     5.972208  
1 1 1 8   15 1  f 219.9376 2.830131  483.4513       11.68459  487.9019       20.46046  481.2974       14.23399  1.363983       5.660262  
1 1 1 8   15 2  o 341.3188 5.044382  1171.292       34.42792  1184.289       49.28189  1158.902       48.11591  3.672729       10.08876  
1 1 1 8   15 3  o 153.5112 2.317180  235.9124       7.113639  234.3006       9.982033  237.5758       10.14024  -1.063873      4.634359  
1 1 1 8   15 4  o 81.71179 1.350816  66.62348       2.203382  64.16196       3.006148  69.48106       3.238966  -3.252350      2.701632  
1 1 1 8   15 5  o 34.92849 0.8261165 11.96313       0.4971672 11.73983       0.5700389 12.67284       1.016257  -1.332771      1.652233  
1 1 1 8   15 6  o 313.5376 3.267873  985.4675       20.49159  988.8323       29.09206  982.1542       28.86820  1.058990       6.535746  
1 1 1 8   15 7  o 149.1801 1.585648  222.6771       4.730859  223.4990       6.714820  221.8671       6.666335  0.5462799      3.171297  
1 1 1 8   15 8  o 172.4902 1.823675  296.2662       6.264322  282.5275       8.405895  313.4266       9.394492  -8.940826      3.647349  
1 1 1 8   15 9  o 179.8310 2.326770  321.6167       7.813692  317.7087       9.454957  330.0351       13.87706  -3.335205      4.653540  
1 1 1 8   15 10 o 154.0641 2.301740  237.1741       7.079559  245.8857       10.39255  229.6312       9.670424  5.259750       4.603480  
1 1 1 8   15 11 o 81.63214 1.288935  66.26118       2.094206  62.78742       2.800780  70.66602       3.153871  -4.821251      2.577869  
1 1 1 8   15 12 o 81.13643 1.287598  65.70142       2.086084  68.64812       3.057575  63.13522       2.853340  3.394600       2.575196  
1 1 1 8   15 13 o 124.8351 1.637419  156.2035       3.876848  155.2104       6.624527  156.7208       4.781096  -0.6369095     3.274839  
1 1 1 8   15 14 o 304.3041 3.177447  928.7965       19.33506  920.1171       27.05487  937.8570       27.64240  -2.893951      6.354893  
1 1 1 8   15 15 o 158.7863 1.687634  251.2096       5.339077  239.9097       7.184528  265.1466       7.978998  -7.931000      3.375267  
1 1 1 8   15 16 o 123.3553 1.908070  152.3570       4.707211  151.4742       6.620049  153.2597       6.694582  -0.7219162     3.816141  
1 1 1 8   15 17 o 146.6093 1.565113  214.7152       4.581330  222.3598       6.719061  208.0733       6.262918  4.862015       3.130226  
1 1 1 8   15 18 o 139.3376 1.492196  194.1731       4.155413  198.6084       6.014625  190.1227       5.747739  3.038742       2.984392  
1 1 1 8   15 19 o 107.5608 1.187488  115.2585       2.546043  121.8263       3.792407  109.8692       3.435315  5.551170       2.374975  
1 1 1 8   15 20 f 256.0523 2.683257  657.4662       13.72767  642.4879       18.92124  674.1126       19.94706  -6.122330      5.366514  
1 1 1 8   15 21 o 102.7557 1.138772  105.3589       2.334983  110.1470       3.445421  101.2920       3.175410  4.301956       2.277543  
1 1 1 8   15 22 o 118.6076 1.291039  140.0714       3.049005  133.1916       4.087541  148.7009       4.577890  -6.522652      2.582077  
1 1 1 8   15 23 o 42.81896 0.6533352 18.34060       0.5594981 18.41117       0.7931949 18.27072       0.7893189 0.1639328      1.306670  
1 1 1 8   15 24 f 123.1990 1.338101  152.0140       3.296839  150.8929       4.630554  153.1665       4.694983  -0.9199753     2.676202  
1 1 1 8   15 25 o 44.84510 0.6641862 20.11080       0.5955805 20.56966       0.8529182 19.67414       0.8320264 0.9979782      1.328372  
1 1 1 8   15 26 o 87.36026 0.9972612 76.04665       1.736407  80.53434       2.589193  72.37858       2.340845  4.658218       1.994522  
1 1 1 8   15 27 o 97.48607 1.092952  95.14047       2.130350  93.67516       2.970153  96.69302       3.057275  -1.543602      2.185905  
1 1 1 8   15 28 o 87.94561 1.004718  77.43673       1.767049  76.68620       2.478636  78.21243       2.519845  -0.8657684     2.009436  
1 1 1 8   15 29 o 89.10252 1.024082  79.10067       1.817754  75.16605       2.443021  83.98064       2.720730  -4.931892      2.048163  
1 1 1 8   15 30 o 79.46848 0.9331925 63.22664       1.483020  63.86433       2.116702  62.61182       2.078437  0.7861252      1.866385  
1 1 1 8   15 31 o 62.49114 1.012539  39.75531       1.187284  37.23131       2.040208  41.04778       1.459960  -3.086815      2.025078  
1 1 1 8   15 32 o 18.60250 1.521037  3.475955       0.5658543 3.431749       0.8014134 3.519902       0.7990693 -0.2371769     3.042074  
1 1 1 8   15 33 o 45.43163 0.8813323 20.99962       0.7453175 21.60275       0.9088869 19.76137       1.302284  2.050243       1.762665  
1 1 1 8   15 34 o 28.87031 0.6512457 8.350382       0.3756861 8.051701       0.5359857 8.638843       0.5267359 -1.017330      1.302491  
1 1 1 8   15 35 o 28.04646 0.6649209 7.826552       0.3718049 8.677501       0.5499736 7.110284       0.5045776 2.791401       1.329842  
1 1 1 8   15 36 o 7.017593 1.470999  0.4774660      0.2245280 0.6750252      0.3425845 0.3287082      0.2972753 2.054065       2.941998  
1 1 1 8   15 37 f 35.30856 0.6620608 12.47712       0.4672497 12.64695       0.6743368 12.32029       0.6480298 0.4607582      1.324122  
1 1 1 8   15 38 o 25.88372 0.6981692 6.678695       0.3578164 5.456980       0.4885901 8.091854       0.5254788 -5.087006      1.396338  
1 1 1 8   15 39 o 27.88784 0.6814438 7.708484       0.3780559 8.661373       0.5708681 6.964113       0.5045553 3.037567       1.362888  
1 1 1 8   15 40 o 47.16718 0.7229732 22.17430       0.6802308 20.47125       0.9242125 24.18736       1.004818  -3.931656      1.445946  
1 1 1 8   15 41 o 30.96231 0.6836030 9.552321       0.4219810 10.25654       0.6280644 8.972838       0.5697333 2.067554       1.367206  
1 1 1 8   15 42 o 65.05397 0.8381574 42.28156       1.087573  44.56923       1.611526  40.36818       1.473806  3.212093       1.676315  
1 1 1 8   15 43 o 57.64331 0.7895464 33.23116       0.9084494 34.62963       1.336364  32.02967       1.238673  2.243439       1.579093  
1 1 1 8   15 44 o 56.00537 0.7843556 31.28455       0.8750352 33.36678       1.310722  29.61036       1.175298  3.335236       1.568711  
1 1 1 8   15 45 o 31.82084 1.717277  9.589647       1.012757  8.581027       1.197129  12.12869       1.899384  -5.361120      3.434554  
1 1 1 8   15 46 o 45.06087 0.9409091 20.39784       0.8479066 20.72600       1.205585  20.07664       1.192760  0.7182846      1.881818  
1 1 1 8   15 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   15 48 o 40.08244 0.9297720 16.10708       0.7442480 15.25014       1.019870  17.08330       1.088534  -2.272484      1.859544  
1 1 1 8   15 49 o 19.10547 1.102436  3.630368       0.4138259 4.709683       0.6220089 2.773235       0.5543019 5.051281       2.204873  
1 1 1 8   15 50 o 46.67607 0.9793544 21.92069       0.9140250 21.41231       1.275999  22.45646       1.309922  -1.110367      1.958709  
1 1 1 8   15 51 o 32.30662 0.9355475 10.46055       0.6030102 9.512318       0.8270527 11.53672       0.8810796 -3.120787      1.871095  
1 1 1 8   16 0  o 91.08334 1.470386  82.94353       2.676761  81.43941       3.705787  84.58442       3.870614  -1.724403      2.940772  
1 1 1 8   16 1  f 126.2281 1.680190  158.2070       3.941854  156.1415       4.748963  162.7823       7.068099  -2.597618      3.360381  
1 1 1 8   16 2  f 240.4957 2.515646  579.2004       12.09861  584.3903       17.27036  574.1989       16.95406  2.111908       5.031293  
1 1 1 8   16 3  o 226.8994 2.375665  515.3391       10.77675  507.8740       14.99849  523.3064       15.49488  -3.390259      4.751331  
1 1 1 8   16 4  o 166.1953 1.759205  276.0759       5.841076  283.5728       8.500851  269.3706       8.039502  4.265472       3.518410  
1 1 1 8   16 5  o 201.6616 2.119116  405.9963       8.526249  391.6457       11.58639  422.9464       12.59218  -7.741241      4.238232  
1 1 1 8   16 6  o 208.9408 2.191982  437.1085       9.159786  436.0240       12.91735  438.2055       12.99075  -0.5205383     4.383964  
1 1 1 8   16 7  o 44.84162 0.6447254 19.88940       0.5749575 22.40615       0.8700000 17.93788       0.7660996 4.981636       1.289451  
1 1 1 8   16 8  o 147.7261 1.573617  218.3755       4.649189  219.2813       6.600567  217.4837       6.549623  0.6076355      3.147234  
1 1 1 8   16 9  o 42.91715 0.7253826 17.25814       0.5821726 15.39426       0.6931681 21.72076       1.072567  -7.367752      1.450765  
1 1 1 8   16 10 f 102.6827 1.132112  105.4780       2.324953  105.3603       3.281457  105.5966       3.294543  -0.1149139     2.264225  
1 1 1 8   16 11 f 214.0419 2.246429  458.4534       9.609332  468.9333       13.91754  448.9061       13.28389  4.662521       4.492859  
1 1 1 8   16 12 o 108.3687 1.189196  117.1169       2.570609  112.6593       3.486521  122.4264       3.805118  -4.502022      2.378393  
1 1 1 8   16 13 o 219.8498 2.826842  483.7405       11.69363  481.9229       14.28025  487.4400       20.37278  -1.046951      5.653684  
1 1 1 8   16 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   16 15 o 120.2580 1.824536  144.8188       4.388202  144.3167       6.181267  145.3289       6.230740  -0.4195023     3.649073  
1 1 1 8   16 16 f 79.92274 1.270389  63.79425       2.027537  61.73725       2.775915  66.14658       2.968505  -2.754601      2.540777  
1 1 1 8   16 17 o 155.8947 2.020826  244.2785       5.992392  240.9876       10.15759  246.0352       7.421421  -1.711029      4.041653  
1 1 1 8   16 18 o 253.8882 2.660220  647.0121       13.50672  642.3301       18.94826  651.8485       19.25829  -1.858612      5.320439  
1 1 1 8   16 19 o 178.2574 1.885970  318.1218       6.717749  326.0199       9.750401  310.9851       9.268564  4.197250       3.771941  
1 1 1 8   16 20 o 47.59573 0.6853995 22.50206       0.6498153 20.93424       0.8724311 24.45565       0.9738691 -3.697636      1.370799  
1 1 1 8   16 21 o 110.8501 1.216916  123.0173       2.697902  123.1346       3.818767  122.9005       3.812061  0.1053314      2.433832  
1 1 1 8   16 22 o 113.3372 1.240819  128.6212       2.812521  127.8871       3.957218  129.3705       3.998107  -0.6528320     2.481639  
1 1 1 8   16 23 o 61.48676 0.7759583 37.31052       0.9457957 34.13790       1.240968  41.70729       1.460895  -6.149563      1.551917  
1 1 1 8   16 24 o 69.75371 0.8415470 48.68715       1.173970  49.14600       1.669585  48.23844       1.651059  0.6499786      1.683094  
1 1 1 8   16 25 o 52.34089 0.7181239 26.97178       0.7449676 30.83005       1.151711  24.19620       0.9768410 6.331795       1.436248  
1 1 1 8   16 26 o 83.80827 0.9679873 70.30342       1.622216  69.34385       2.268067  71.30846       2.321174  -1.169754      1.935975  
1 1 1 8   16 27 o 87.91966 1.010357  76.95123       1.769068  72.75297       2.372907  82.20451       2.654366  -5.361366      2.020715  
1 1 1 8   16 28 o 77.44017 1.149476  60.36328       1.769795  57.03902       2.604752  63.21394       2.412075  -3.998451      2.298952  
1 1 1 8   16 29 o 72.68336 1.299778  52.74504       1.884477  55.99355       2.791632  50.02546       2.554264  4.088593       2.599556  
1 1 1 8   16 30 o 32.37152 1.128116  10.42878       0.7277398 9.402073       0.9850960 11.66231       1.079766  -3.484673      2.256232  
1 1 1 8   16 31 f 49.21794 0.7078999 24.19530       0.6960211 23.13772       0.9567959 25.38397       1.014370  -2.279121      1.415800  
1 1 1 8   16 32 o 24.11382 0.6872726 5.820088       0.3314503 5.776098       0.4675535 5.864527       0.4699386 -0.1832409     1.374545  
1 1 1 8   16 33 o 74.93535 0.9030192 56.25474       1.353338  56.51581       1.920740  55.99734       1.907151  0.3449631      1.806038  
1 1 1 8   16 34 o 58.60374 0.7697523 34.36591       0.9015757 35.09803       1.304503  33.69642       1.247451  1.192047       1.539505  
1 1 1 8   16 35 o 43.10423 0.6884385 18.40803       0.5903007 16.29059       0.7909204 21.07071       0.8869268 -5.538418      1.376877  
1 1 1 8   16 36 o 62.26018 0.8051724 38.77343       1.001324  40.05734       1.461345  37.63711       1.374789  1.936340       1.610345  
1 1 1 8   16 37 o 70.89828 0.8748342 49.92504       1.233522  46.20490       1.641531  54.75048       1.869555  -6.004402      1.749668  
1 1 1 8   16 38 o 42.02394 0.6876764 17.68435       0.5777880 17.85113       0.8293715 17.52707       0.8053875 0.3835754      1.375353  
1 1 1 8   16 39 o 54.49163 0.7601240 29.54317       0.8252811 27.23702       1.110410  32.38905       1.233521  -4.715046      1.520248  
1 1 1 8   16 40 o 42.69727 0.6991432 18.23645       0.5962217 18.78757       0.8706742 17.74984       0.8181449 1.210197       1.398286  
1 1 1 8   16 41 o 94.31611 1.086028  89.34969       2.048105  87.69981       2.858301  91.09070       2.936183  -1.785309      2.172056  
1 1 1 8   16 42 o 64.12218 0.8379882 41.24229       1.074584  40.59635       1.518534  41.89020       1.520853  -1.008602      1.675976  
1 1 1 8   16 43 o 18.35817 0.8615493 3.396459       0.3148839 3.068462       0.4498635 3.711513       0.4408982 -1.752726      1.723099  
1 1 1 8   16 44 o 44.43409 0.7377070 19.65258       0.6530140 17.58327       0.8836105 22.14288       0.9693334 -5.119602      1.475414  
1 1 1 8   16 45 o 14.32824 2.509510  1.915328       0.6777026 3.142905       1.254834  1.409824       0.8052379 5.534556       5.019019  
1 1 1 8   16 46 o 73.44443 1.758298  54.41102       2.582744  54.41102       2.582744  ?              ?         ?              ?         
1 1 1 8   16 47 f 51.08855 0.9985505 26.25970       1.020180  26.48952       1.455660  26.03785       1.430182  0.4364204      1.997101  
1 1 1 8   16 48 o 60.08020 1.096340  36.21659       1.313923  38.44959       1.946160  34.34626       1.781123  3.374695       2.192681  
1 1 1 8   16 49 o 70.76418 1.221122  50.53860       1.727162  51.80285       2.496610  49.37817       2.391905  1.682487       2.442244  
1 1 1 8   16 50 o 21.49745 1.030280  4.643626       0.4423566 4.890853       0.6465703 4.426076       0.6065218 1.070850       2.060561  
1 1 1 8   16 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   17 0  o 103.5003 1.138979  107.1601       2.357686  107.3653       3.339401  106.9561       3.329166  0.1975555      2.277958  
1 1 1 8   17 1  o 205.6212 2.159562  422.7984       8.871508  434.4658       12.90947  412.3576       12.21197  5.361404       4.319123  
1 1 1 8   17 2  o 48.43465 0.6720218 23.46270       0.6509653 23.58279       0.9188747 23.34170       0.9223432 0.2489052      1.344044  
1 1 1 8   17 3  o 128.0633 1.378999  163.8685       3.528232  168.6966       5.134355  159.5486       4.856571  3.567825       2.757997  
1 1 1 8   17 4  o 95.51114 1.063258  91.13487       2.028957  88.79366       2.793862  93.74752       2.951370  -2.591621      2.126516  
1 1 1 8   17 5  o 159.8045 1.696149  255.1174       5.412564  247.5978       7.410266  263.7171       7.924638  -5.034241      3.392298  
1 1 1 8   17 6  o 80.43648 0.9265647 64.53973       1.487514  62.11630       2.026404  67.37150       2.190490  -3.265045      1.853129  
1 1 1 8   17 7  f 80.94795 0.9309781 65.51373       1.506659  64.51156       2.096776  66.58356       2.166405  -1.279121      1.861956  
1 1 1 8   17 8  o 73.19667 0.8606340 53.58768       1.259879  53.97267       1.789406  53.20922       1.774169  0.5213623      1.721268  
1 1 1 8   17 9  f 34.74811 0.6125813 12.07500       0.4254974 12.61096       0.6055391 11.55228       0.5980197 1.523308       1.225163  
1 1 1 8   17 10 o 156.6241 1.664792  245.0653       5.206531  253.6984       7.627675  237.5340       7.124360  5.149857       3.329584  
1 1 1 8   17 11 f 156.2337 1.661352  244.2117       5.188860  248.5637       7.473638  240.1617       7.209786  2.683075       3.322704  
1 1 1 8   17 12 o 76.37634 1.305989  58.23317       1.991450  56.11240       2.720489  60.68156       2.923083  -2.987335      2.611978  
1 1 1 8   17 13 o 87.79555 0.9955224 77.01243       1.746205  75.02399       2.403937  79.23365       2.540751  -2.395287      1.991045  
1 1 1 8   17 14 o 93.77337 1.053162  87.93972       1.974509  89.44961       2.837229  86.52168       2.749587  1.559662       2.106324  
1 1 1 8   17 15 o 79.62807 0.9262671 63.21879       1.471735  66.50698       2.173149  60.43293       2.000278  3.811172       1.852534  
1 1 1 8   17 16 o 109.7353 1.477874  118.2408       2.988295  114.7566       3.561559  126.5273       5.492502  -5.306290      2.955747  
1 1 1 8   17 17 o 37.78211 0.8063757 13.82919       0.5995496 17.23157       0.9538301 11.60686       0.7708746 7.440311       1.612751  
1 1 1 8   17 18 f 62.97614 1.056186  39.66835       1.329787  40.45649       1.912928  38.93134       1.849861  1.209282       2.112371  
1 1 1 8   17 19 o 98.49579 1.525258  97.04698       3.001208  94.38906       4.127255  100.0295       4.372011  -2.853081      3.050515  
1 1 1 8   17 20 o 66.39121 0.9770010 43.20018       1.212252  46.66098       2.175080  41.64078       1.460040  3.759308       1.954002  
1 1 1 8   17 21 o 52.57446 0.7144932 27.51764       0.7490517 25.94303       1.012689  29.41979       1.113047  -3.304108      1.428986  
1 1 1 8   17 22 o 27.54892 0.6469803 7.429320       0.3513879 9.473917       0.5391247 5.919268       0.4633203 6.449797       1.293961  
1 1 1 8   17 23 o 115.4200 1.263750  133.4577       2.917114  132.6783       4.102430  134.2547       4.148805  -0.6804657     2.527500  
1 1 1 8   17 24 o 84.07500 0.9710910 70.39436       1.626626  66.72414       2.187225  74.93640       2.433172  -4.873177      1.942182  
1 1 1 8   17 25 f 109.7130 1.210892  120.4603       2.654553  117.4550       3.660314  123.7946       3.855497  -2.878090      2.421784  
1 1 1 8   17 26 o 105.7112 2.311328  0.000000       0.000000  ?              ?         112.1765       4.886663  ?              ?         
1 1 1 8   17 27 o 40.12817 1.089189  16.12945       0.8740144 16.00311       1.223741  16.26101       1.248723  -0.3198853     2.178378  
1 1 1 8   17 28 o 45.06860 0.9232508 21.21624       0.7668120 22.86240       0.9410188 17.96280       1.322916  5.454956       1.846502  
1 1 1 8   17 29 o 63.93475 0.8129278 40.78793       1.037235  42.97355       1.529642  38.92755       1.411245  3.157990       1.625856  
1 1 1 8   17 30 o 83.23462 0.9713414 69.40520       1.616902  68.96503       2.272735  69.85629       2.300812  -0.5334702     1.942683  
1 1 1 8   17 31 f 32.85072 0.6595430 10.60116       0.4290753 12.83770       0.6573327 8.940712       0.5663825 5.926996       1.319086  
1 1 1 8   17 32 o 81.25217 0.9575791 66.15225       1.555978  66.71185       2.217900  65.60992       2.183474  0.6753845      1.915158  
1 1 1 8   17 33 o 53.25844 0.7421432 28.35807       0.7898526 29.60967       1.145334  27.22302       1.090708  2.237030       1.484286  
1 1 1 8   17 34 f 28.21659 0.6801118 7.965916       0.3835719 8.370920       0.5502872 7.583183       0.5349432 1.394833       1.360224  
1 1 1 8   17 35 o 47.48309 0.7044396 22.55809       0.6684652 23.10732       0.9684799 22.05837       0.9238066 1.101231       1.408879  
1 1 1 8   17 36 o 38.83607 0.6789255 15.08232       0.5267836 14.15506       0.7308274 16.08509       0.7599978 -2.482597      1.357851  
1 1 1 8   17 37 o 74.15657 0.9025511 55.02920       1.336886  52.87468       1.834655  57.46837       1.952090  -3.084282      1.805102  
1 1 1 8   17 38 f 45.09264 0.7086571 20.29580       0.6378618 18.78784       0.8733494 22.01985       0.9338304 -3.578060      1.417314  
1 1 1 8   17 39 o 53.91136 0.7568352 29.12531       0.8158423 29.28609       1.168092  28.97218       1.139972  0.2882118      1.513670  
1 1 1 8   17 40 o 89.96421 1.047130  81.21470       1.882895  78.90604       2.606728  83.73332       2.722689  -2.665176      2.094260  
1 1 1 8   17 41 o 48.66900 0.7392488 23.72860       0.7193189 22.90374       1.004468  24.59690       1.030576  -1.736507      1.478498  
1 1 1 8   17 42 o 17.54004 0.8900871 3.045518       0.3094709 3.680972       0.4669431 2.547750       0.4132713 3.222161       1.780174  
1 1 1 8   17 43 o 22.14761 1.354010  5.359224       0.4486086 4.338285       1.031085  5.597612       0.4982382 -2.957823      2.708021  
1 1 1 8   17 44 f 20.00221 1.520615  4.049090       0.6055829 4.045759       0.8186082 4.053116       0.9000154 0.4556656E-02  3.041229  
1 1 1 8   17 45 o 68.90751 1.184248  47.85590       1.632025  48.09465       2.318686  47.62149       2.297525  0.3383331      2.368497  
1 1 1 8   17 46 o 32.16820 0.8900360 10.39962       0.5725769 10.28565       0.8111405 10.51282       0.8083588 -0.3536377     1.780072  
1 1 1 8   17 47 o 41.58874 0.9303962 17.38840       0.7738392 17.14815       1.089016  17.63344       1.099812  -0.5812225     1.860792  
1 1 1 8   17 48 o 64.10983 1.136379  41.45752       1.457051  41.26865       2.056444  41.64793       2.064743  -0.2935562     2.272757  
1 1 1 8   17 49 o 52.27708 1.012994  27.43279       1.056923  28.95043       1.557416  26.13712       1.439024  2.661022       2.025988  
1 1 1 8   17 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   18 0  o 192.0886 2.026379  368.4674       7.767412  355.6127       10.56898  383.5648       11.45385  -7.255905      4.052758  
1 1 1 8   18 1  o 157.0057 1.667929  246.5923       5.235055  242.6105       7.272162  250.8752       7.542191  -2.626923      3.335857  
1 1 1 8   18 2  o 208.7976 2.535357  436.7753       10.58574  441.4941       15.13861  432.2603       14.80786  2.201645       5.070713  
1 1 1 8   18 3  f 300.1041 4.449677  906.4524       26.70731  906.2336       37.74787  906.6716       37.79184  -0.7070923E-01 8.899354  
1 1 1 8   18 4  f 80.77702 1.350017  65.21356       2.178688  63.75291       3.000081  66.84347       3.169124  -1.910324      2.700033  
1 1 1 8   18 5  o 166.2414 2.507679  275.0975       8.290502  260.5663       11.04395  293.8583       12.54875  -9.967148      5.015358  
1 1 1 8   18 6  o 77.46567 1.315346  60.03811       2.037739  60.89795       2.901532  59.20127       2.862460  1.094467       2.630692  
1 1 1 8   18 7  o 171.0148 2.578457  291.7271       8.782606  278.0311       11.79437  308.7737       13.15821  -8.941010      5.156913  
1 1 1 8   18 8  o 76.94391 1.314488  59.24346       2.022799  59.74374       2.868779  58.74881       2.852629  0.6462173      2.628976  
1 1 1 8   18 9  o 237.1191 3.222136  564.2092       14.94100  562.0704       19.19710  567.4951       23.79525  -0.9185791     6.444271  
1 1 1 8   18 10 o 122.4535 1.326424  149.9774       3.246990  152.8749       4.678950  147.2858       4.509605  2.278549       2.652847  
1 1 1 8   18 11 o 75.27309 0.8864819 56.14708       1.326184  61.37677       2.018138  52.17242       1.759389  6.110184       1.772964  
1 1 1 8   18 12 o 177.1756 1.873907  314.3159       6.637608  319.4949       9.548778  309.4735       9.233165  2.817627       3.747813  
1 1 1 8   18 13 f 90.30899 1.021117  81.54646       1.843382  83.35703       2.658980  79.87101       2.557833  1.928009       2.042234  
1 1 1 8   18 14 o 89.37776 1.015891  79.16173       1.802631  73.96188       2.381377  86.13963       2.758639  -6.804161      2.031782  
1 1 1 8   18 15 o 197.6290 2.084376  391.5994       8.237085  396.1011       11.78834  387.3044       11.51448  2.212280       4.168752  
1 1 1 8   18 16 o 172.8786 1.833426  298.1582       6.313709  284.6056       8.485366  314.9681       9.450228  -8.736404      3.666852  
1 1 1 8   18 17 o 104.8510 1.160515  109.9191       2.431195  107.1458       3.349318  113.0076       3.534618  -2.789131      2.321030  
1 1 1 8   18 18 o 105.9827 1.170906  112.4523       2.481763  113.2776       3.533549  111.6488       3.486412  0.7667084      2.341812  
1 1 1 8   18 19 o 30.66467 0.6354337 9.370831       0.3880091 10.68829       0.5665656 8.207150       0.5324751 4.044868       1.270867  
1 1 1 8   18 20 o 89.02673 1.226200  78.95232       2.062651  78.09558       2.524969  80.67091       3.576165  -1.400986      2.452400  
1 1 1 8   18 21 o 109.8438 1.690202  121.0568       3.713114  121.0234       5.237128  121.0907       5.265257  -0.2868652E-01 3.380404  
1 1 1 8   18 22 o 125.8730 1.913537  159.0958       4.815323  156.5828       6.697010  161.7856       6.928687  -2.046883      3.827074  
1 1 1 8   18 23 o 112.4176 1.500337  127.3286       3.223530  124.7705       5.398323  128.7462       4.018660  -1.863342      3.000674  
1 1 1 8   18 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   18 25 o 32.06284 1.132544  10.30329       0.7257095 10.79899       1.029117  9.812974       1.023522  1.537292       2.265088  
1 1 1 8   18 26 o 71.10764 0.8659791 50.45923       1.228942  48.23520       1.672780  53.06733       1.811465  -3.391098      1.731958  
1 1 1 8   18 27 o 82.40199 0.9614218 67.94474       1.583357  69.64358       2.291606  66.39286       2.190243  1.966568       1.922844  
1 1 1 8   18 28 o 36.58553 0.6624835 13.26539       0.4823671 11.88687       0.6465155 14.99634       0.7244591 -4.246021      1.324967  
1 1 1 8   18 29 o 52.88941 0.7385251 27.96417       0.7806177 26.98286       1.078870  29.04238       1.130886  -1.944313      1.477050  
1 1 1 8   18 30 o 49.33610 0.7205455 24.07279       0.7062874 27.07024       1.076664  21.80851       0.9357721 5.324635       1.441091  
1 1 1 8   18 31 o 12.25825 1.003797  1.507481       0.2447355 1.306850       0.3413208 1.719778       0.3511030 -1.683459      2.007594  
1 1 1 8   18 32 o 66.59219 0.8407510 44.40958       1.119423  45.13754       1.606818  43.72306       1.560408  1.058418       1.681502  
1 1 1 8   18 33 o 61.12957 0.8045883 37.43830       0.9836747 37.27145       1.387840  37.60673       1.394436  -0.2736855     1.609177  
1 1 1 8   18 34 o 69.85384 0.8691937 48.78984       1.212486  50.99768       1.775580  46.86075       1.659707  2.950348       1.738387  
1 1 1 8   18 35 o 42.67203 0.6955650 17.94505       0.5883780 20.55145       0.9085856 16.06265       0.7721485 5.248631       1.391130  
1 1 1 8   18 36 o 49.42192 0.7265146 24.47313       0.7180428 24.28084       1.020144  24.66195       1.010852  -0.3864136     1.453029  
1 1 1 8   18 37 o 51.91540 0.7529613 26.88858       0.7799922 25.14578       1.060629  28.94126       1.151063  -3.646290      1.505923  
1 1 1 8   18 38 o 34.63378 0.6913826 12.02354       0.4786339 11.77999       0.6839437 12.25730       0.6700511 -0.6904106     1.382765  
1 1 1 8   18 39 o 34.32197 0.7018942 11.77330       0.4804885 10.60232       0.6628416 13.06998       0.6975100 -3.591312      1.403788  
1 1 1 8   18 40 f 43.05364 0.7148914 18.58266       0.6154023 18.14400       0.8724639 19.01701       0.8681723 -1.014347      1.429783  
1 1 1 8   18 41 o 85.01591 1.290450  72.60001       2.011512  73.54851       3.678589  72.19542       2.402515  0.5148010      2.580900  
1 1 1 8   18 42 o 30.43444 1.077538  9.119290       0.6309828 8.633311       0.7819729 10.02622       1.068244  -2.234030      2.155075  
1 1 1 8   18 43 o 59.96726 1.013721  35.63281       1.190695  38.67327       1.917777  33.72555       1.518914  4.049854       2.027442  
1 1 1 8   18 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   18 45 o 34.39391 0.8828353 11.89199       0.6070227 11.59605       0.8632492 12.18146       0.8537493 -0.8528786     1.765671  
1 1 1 8   18 46 o 64.86940 1.140828  42.36758       1.478857  41.11125       2.040978  43.75627       2.145795  -2.012245      2.281656  
1 1 1 8   18 47 o 42.64016 0.9268164 18.28709       0.7903638 18.09291       1.116865  18.48189       1.118623  -0.4557266     1.853633  
1 1 1 8   18 48 o 50.41531 0.9966077 25.55301       1.004019  24.57244       1.385452  26.63754       1.457047  -2.030354      1.993215  
1 1 1 8   18 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   19 0  o 164.8622 1.749344  272.0647       5.767009  269.2301       8.066073  275.0291       8.248553  -1.754288      3.498688  
1 1 1 8   19 1  o 406.5240 4.245289  1664.281       34.51059  1648.386       48.28730  1680.878       49.34043  -3.932739      8.490578  
1 1 1 8   19 2  f 213.6264 2.244603  457.2985       9.589852  455.4398       13.50105  459.1911       13.62399  -0.8739471     4.489206  
1 1 1 8   19 3  o 120.9505 1.312544  146.1834       3.171404  150.6675       4.620617  142.1896       4.360742  3.499557       2.625089  
1 1 1 8   19 4  f 88.93678 1.007026  78.99893       1.789076  81.75755       2.609113  76.55076       2.457922  2.924873       2.014053  
1 1 1 8   19 5  o 81.06326 0.9347099 65.73753       1.515403  66.04777       2.146977  65.42952       2.139251  0.3812256      1.869420  
1 1 1 8   19 6  o 132.3047 1.424331  173.9327       3.746283  164.3286       4.981354  186.4372       5.683993  -8.338943      2.848662  
1 1 1 8   19 7  o 135.9859 1.460785  185.0933       3.972634  183.9454       5.578277  186.2746       5.658897  -0.8544159     2.921570  
1 1 1 8   19 8  f 223.6469 2.348368  501.5545       10.50401  500.5345       14.81904  502.5844       14.89105  -0.4552917     4.696735  
1 1 1 8   19 9  f 57.93387 0.7482384 33.36510       0.8634599 31.36966       1.159195  35.85225       1.294156  -3.866768      1.496477  
1 1 1 8   19 10 o 185.3068 1.958391  344.1589       7.257949  345.2487       10.29924  343.0838       10.22969  0.5812988      3.916783  
1 1 1 8   19 11 o 144.9703 1.551677  210.3981       4.497406  207.4235       6.263025  213.5650       6.462239  -2.111282      3.103355  
1 1 1 8   19 12 o 204.7258 2.157084  419.9984       8.824514  410.8163       12.17949  430.1452       12.80337  -4.689041      4.314167  
1 1 1 8   19 13 o 100.5099 1.117044  101.0682       2.244680  99.52689       3.124657  102.7118       3.226716  -1.581482      2.234087  
1 1 1 8   19 14 o 60.70335 0.7670814 36.82544       0.9306868 37.99401       1.346124  35.75533       1.288168  1.842709       1.534163  
1 1 1 8   19 15 f 40.57491 0.6520778 16.07937       0.5226135 13.94515       0.6780199 19.20345       0.8203202 -6.476875      1.304156  
1 1 1 8   19 16 o 93.65683 1.055608  87.80473       1.977253  87.42439       2.784906  88.19132       2.807749  -0.4086380     2.111215  
1 1 1 8   19 17 o 123.4493 1.340617  152.6533       3.309797  151.7919       4.652843  153.5356       4.709185  -0.7036514     2.681234  
1 1 1 8   19 18 o 113.7187 1.247021  129.5070       2.835763  128.1908       3.969028  130.8795       4.053042  -1.178246      2.494042  
1 1 1 8   19 19 o 97.25732 1.091653  94.02789       2.111681  101.1592       3.196155  88.50340       2.813116  6.488594       2.183307  
1 1 1 8   19 20 o 19.92635 0.7125520 3.952352       0.2806372 3.172567       0.3822940 4.863648       0.4132760 -4.242348      1.425104  
1 1 1 8   19 21 o 63.28101 1.205004  39.99231       1.522475  42.45276       2.233483  37.85670       2.080823  3.622860       2.410007  
1 1 1 8   19 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   19 23 o 38.64611 0.9301180 14.94491       0.7189087 14.94491       0.7189087 ?              ?         ?              ?         
1 1 1 8   19 24 o 20.78804 0.8242826 4.329911       0.3420495 4.004907       0.4820636 4.659451       0.4854160 -1.574179      1.648565  
1 1 1 8   19 25 f 38.65298 0.8221954 14.93550       0.6351181 14.37674       0.8776830 15.54972       0.9202108 -1.515244      1.644391  
1 1 1 8   19 26 o 69.49164 1.150688  48.36465       1.598122  47.20575       2.209967  49.63499       2.313777  -1.739807      2.301375  
1 1 1 8   19 27 o 30.43935 0.7271396 9.134110       0.4328159 9.928224       0.7008756 8.644599       0.5502765 2.100826       1.454279  
1 1 1 8   19 28 o 44.98675 0.6929138 20.25850       0.6234270 20.26556       0.8790528 20.25136       0.8842885 0.1604843E-01  1.385828  
1 1 1 8   19 29 f 24.58234 0.7019625 6.017541       0.3428977 7.056643       0.5037538 5.120433       0.4680710 3.936157       1.403925  
1 1 1 8   19 30 o 72.90363 0.8896616 53.25341       1.297174  53.01254       1.828808  53.49731       1.840208  -0.3315887     1.779323  
1 1 1 8   19 31 o 33.67636 0.6711932 11.31531       0.4512657 12.18526       0.6606860 10.55454       0.6178386 2.418304       1.342386  
1 1 1 8   19 32 f 75.59282 0.9198266 57.25630       1.390178  56.17906       1.935574  58.40406       1.997927  -1.465683      1.839653  
1 1 1 8   19 33 o 77.52799 0.9361111 60.25500       1.451269  61.16233       2.075015  59.38617       2.030517  1.140884       1.872222  
1 1 1 8   19 34 f 43.98985 0.7102848 19.36967       0.6246077 18.93561       0.8670915 19.83782       0.9005135 -1.022636      1.420570  
1 1 1 8   19 35 o 68.28743 0.8690038 46.73895       1.186453  47.56510       1.704576  45.96257       1.652435  1.167511       1.738008  
1 1 1 8   19 36 o 35.15794 0.6901069 12.34586       0.4838749 11.09929       0.6662144 13.73763       0.7039484 -3.748611      1.380214  
1 1 1 8   19 37 o 39.75744 0.6962408 15.82253       0.5531691 14.95324       0.7706146 16.74662       0.7945321 -2.253044      1.392482  
1 1 1 8   19 38 o 31.67007 0.6953921 10.03581       0.4395562 9.165042       0.6100772 10.97578       0.6338574 -2.856323      1.390784  
1 1 1 8   19 39 o 63.24406 1.094890  40.91430       1.271726  38.42044       2.274312  42.04877       1.533950  -2.995335      2.189780  
1 1 1 8   19 40 o 86.86790 1.368266  76.56953       2.346162  78.92850       3.106972  73.43970       3.578774  3.271973       2.736532  
1 1 1 8   19 41 o 53.69736 0.8961131 28.86834       0.9299479 29.26744       1.530839  28.63492       1.170721  0.5321808      1.792226  
1 1 1 8   19 42 o 67.54008 1.081742  45.78099       1.441248  46.63568       2.239529  45.17677       1.882989  1.007057       2.163485  
1 1 1 8   19 43 o 23.13858 0.9181390 5.331312       0.4229130 5.920353       0.6360487 4.864533       0.5662042 2.268684       1.836278  
1 1 1 8   19 44 o 40.18412 0.9155806 16.23018       0.7357680 15.94505       1.033312  16.52342       1.047907  -0.7166672     1.831161  
1 1 1 8   19 45 o 31.04972 0.8982752 9.691878       0.5576922 9.484982       0.7906471 9.896744       0.7867589 -0.6638412     1.796550  
1 1 1 8   19 46 o 26.85854 0.9181739 7.230019       0.4913407 6.390675       0.6753643 8.173799       0.7161492 -3.310524      1.836348  
1 1 1 8   19 47 o 10.58065 1.657673  1.191440       0.3410702 1.094334       0.5041437 1.273396       0.4631517 -0.8579130     3.315346  
1 1 1 8   19 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   20 0  o 196.7814 2.074295  388.0442       8.163573  389.0687       11.57570  387.0305       11.51462  0.5156708      4.148589  
1 1 1 8   20 1  o 86.78316 0.9953775 75.33691       1.727362  74.62419       2.417092  76.08086       2.469467  -0.8383255     1.990755  
1 1 1 8   20 2  o 173.1388 1.834356  300.1862       6.350058  304.5293       9.115396  296.0913       8.851111  2.427841       3.668713  
1 1 1 8   20 3  f 137.5187 1.476629  189.3303       4.061164  190.2726       5.770249  188.4054       5.716830  0.6773987      2.953259  
1 1 1 8   20 4  o 164.2543 1.744553  270.2312       5.730431  268.1696       8.036251  272.3639       8.173601  -1.271957      3.489105  
1 1 1 8   20 5  o 113.2088 1.239113  127.3546       2.789301  120.2410       3.712085  136.5797       4.227273  -7.202629      2.478225  
1 1 1 8   20 6  o 79.02824 0.9185570 62.42524       1.450930  64.20559       2.097825  60.79259       2.008913  2.157562       1.837114  
1 1 1 8   20 7  o 95.69746 1.071598  91.52400       2.048992  94.35193       2.978495  88.98335       2.823166  2.801170       2.143196  
1 1 1 8   20 8  o 95.49565 1.069718  91.24873       2.042750  90.42716       2.858996  92.10557       2.919730  -0.8772507     2.139436  
1 1 1 8   20 9  o 162.0457 1.723593  263.1219       5.585638  265.0160       7.955504  261.2804       7.844241  1.147812       3.447186  
1 1 1 8   20 10 o 83.70189 0.9618714 69.95441       1.607673  72.78238       2.355301  67.48743       2.199839  3.158913       1.923743  
1 1 1 8   20 11 o 130.8631 1.412552  171.3944       3.694443  167.9605       5.111668  175.1499       5.345645  -2.737167      2.825105  
1 1 1 8   20 12 f 54.30933 0.7211677 29.50831       0.7833074 29.76841       1.109976  29.25027       1.105565  0.4769325      1.442335  
1 1 1 8   20 13 o 60.34583 0.7663532 36.38773       0.9242353 37.71005       1.339000  35.18444       1.277313  2.091053       1.532706  
1 1 1 8   20 14 o 72.21773 0.8658636 51.84285       1.244918  55.76870       1.872624  48.73366       1.666507  4.864601       1.731727  
1 1 1 8   20 15 o 138.1171 1.487794  191.1973       4.109728  190.7478       5.792879  191.6529       5.831378  -0.3255615     2.975588  
1 1 1 8   20 16 o 83.82242 0.9687076 69.48917       1.609470  64.38842       2.112136  76.55219       2.485420  -7.240807      1.937415  
1 1 1 8   20 17 o 89.10519 1.016867  79.47859       1.811806  78.46202       2.532000  80.54527       2.593675  -1.166214      2.033733  
1 1 1 8   20 18 o 18.29816 1.733718  3.611784       0.5554822 5.571771       0.7982460 1.771527       0.7734804 10.56926       3.467436  
1 1 1 8   20 19 o 87.35518 1.466769  76.52989       2.562570  76.98960       3.632794  76.07459       3.615312  0.5224991      2.933538  
1 1 1 8   20 20 f 113.6032 2.463547  129.6207       5.597335  129.6207       5.597335  ?              ?         ?              ?         
1 1 1 8   20 21 f 61.11088 0.7847825 36.73846       0.9488376 33.22397       1.235998  41.78163       1.480601  -6.991467      1.569565  
1 1 1 8   20 22 o 128.1296 1.393757  164.6715       3.571627  164.8406       5.056448  164.5031       5.045657  0.1308746      2.787515  
1 1 1 8   20 23 o 30.83201 0.6558412 9.451066       0.4030423 8.539290       0.5463923 10.53931       0.5969306 -3.241438      1.311682  
1 1 1 8   20 24 o 66.94504 0.8339670 44.87168       1.116548  45.30564       1.588263  44.44767       1.569970  0.6397781      1.667934  
1 1 1 8   20 25 o 45.99698 0.7037740 21.11829       0.6461473 20.27952       0.8807216 22.09603       0.9508875 -1.971130      1.407548  
1 1 1 8   20 26 o 42.49786 0.6873692 18.06119       0.5839549 18.76943       0.8404227 17.40007       0.8119851 1.609673       1.374738  
1 1 1 8   20 27 o 73.19820 1.068649  53.15043       1.484034  51.96339       1.819683  55.50803       2.564461  -2.357185      2.137299  
1 1 1 8   20 28 o 45.37464 0.8933915 20.23736       0.8021736 23.44945       1.250121  17.98905       1.045892  6.001217       1.786783  
1 1 1 8   20 29 o 100.5979 1.570611  101.8719       3.159986  102.1271       4.478246  101.6189       4.459603  0.2497864      3.141222  
1 1 1 8   20 30 o 33.70233 0.7517236 11.38149       0.5012308 11.34880       0.7666583 11.40590       0.6624086 -0.9282684E-01 1.503447  
1 1 1 8   20 31 o 41.07732 0.6969646 16.89898       0.5725675 17.03736       0.8088166 16.75997       0.8106518 0.3377800      1.393929  
1 1 1 8   20 32 o 54.74614 0.7726282 29.93021       0.8444141 31.71432       1.240907  28.39162       1.152366  3.026718       1.545256  
1 1 1 8   20 33 o 22.02721 0.7597126 4.862211       0.3344402 5.109846       0.4755975 4.619975       0.4703853 1.111475       1.519425  
1 1 1 8   20 34 o 30.51777 0.7005417 9.257316       0.4254370 10.66147       0.6311820 8.088251       0.5759251 4.210791       1.401083  
1 1 1 8   20 35 o 33.61045 0.6984302 11.27038       0.4684428 12.31638       0.6870537 10.36172       0.6403642 2.903362       1.396860  
1 1 1 8   20 36 o 25.11733 0.7310502 6.238126       0.3647747 7.214761       0.5537363 5.489399       0.4848404 3.427292       1.462100  
1 1 1 8   20 37 o 16.19311 1.676664  2.525120       0.3828707 2.951698       0.9936246 2.450740       0.4149100 1.134781       3.353328  
1 1 1 8   20 38 o 20.60766 1.381502  5.011580       0.4497302 5.694701       0.5228496 3.068709       0.8817592 6.443893       2.763004  
1 1 1 8   20 39 o 61.08352 0.8275864 37.27443       1.007738  39.41275       1.500367  35.51690       1.360229  3.168514       1.655173  
1 1 1 8   20 40 o 25.55726 0.8424172 6.538472       0.4287318 6.728584       0.6405590 6.384193       0.5770401 0.6641788      1.684834  
1 1 1 8   20 41 o 60.55634 1.075826  36.88243       1.302369  36.24205       1.809264  37.57109       1.876216  -1.083393      2.151652  
1 1 1 8   20 42 o 32.54038 0.8725599 10.63548       0.5678342 10.53856       0.8047950 10.73155       0.8012940 -0.2971535     1.745120  
1 1 1 8   20 43 f 35.96984 1.267642  0.000000       0.000000  ?              ?         13.00403       0.9119376 ?              ?         
1 1 1 8   20 44 o 47.95769 0.9600804 23.12334       0.9206362 22.63611       1.284738  23.63762       1.319928  -1.036564      1.920161  
1 1 1 8   20 45 o 7.457731 1.799123  0.5209146      0.3203033 0.5824621      0.4850251 0.4733143      0.4265437 0.6532717      3.598247  
1 1 1 8   20 46 o 27.46095 0.9169685 7.581774       0.5026475 6.958819       0.7017608 8.238085       0.7203037 -2.325075      1.833937  
1 1 1 8   20 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   21 0  o 79.25661 0.9254740 62.81735       1.466480  64.13390       2.108474  61.58371       2.041004  1.607338       1.850948  
1 1 1 8   21 1  o 66.39777 0.8188958 43.38198       1.075547  39.48753       1.400463  48.98188       1.679341  -7.144058      1.637792  
1 1 1 8   21 2  o 142.4893 1.527892  202.9933       4.347711  209.8813       6.360134  196.9511       5.956845  4.521957       3.055784  
1 1 1 8   21 3  o 139.2183 1.495698  193.9952       4.162109  190.3912       5.768479  197.9088       6.011247  -2.690628      2.991395  
1 1 1 8   21 4  o 94.15959 1.058570  88.61495       1.991401  86.25832       2.741543  91.24725       2.897454  -2.644783      2.117140  
1 1 1 8   21 5  f 74.23746 0.8790582 55.06734       1.303971  56.91432       1.894592  53.40495       1.797428  2.361229       1.758116  
1 1 1 8   21 6  o 98.86934 1.103610  97.60255       2.178123  101.7198       3.201949  94.05639       2.971597  3.868050       2.207220  
1 1 1 8   21 7  o 171.7764 1.824058  295.8766       6.265655  298.8773       8.954833  292.9984       8.770005  1.700790       3.648115  
1 1 1 8   21 8  o 71.27039 0.8558797 50.71903       1.218374  52.94144       1.779784  48.75906       1.671400  2.931160       1.711759  
1 1 1 8   21 9  o 143.7180 1.541532  206.8932       4.428779  203.4281       6.149906  210.6260       6.383080  -2.492188      3.083064  
1 1 1 8   21 10 o 78.77342 0.9206416 61.49588       1.439787  57.40959       1.901890  66.98146       2.203595  -6.066109      1.841283  
1 1 1 8   21 11 o 42.43649 0.6540070 17.94863       0.5540110 19.42756       0.8115981 16.65820       0.7581134 3.261715       1.308014  
1 1 1 8   21 12 o 65.62842 0.8097115 42.93938       1.060368  45.47967       1.565791  40.78748       1.441127  3.570927       1.619423  
1 1 1 8   21 13 o 140.7512 1.514013  198.4891       4.259173  202.9357       6.159466  194.4148       5.895934  3.010040       3.028026  
1 1 1 8   21 14 o 157.4621 2.079275  248.7705       6.134571  250.7894       10.77356  247.8019       7.462492  0.6468964      4.158550  
1 1 1 8   21 15 o 94.50905 1.551163  89.52859       2.930351  87.65105       4.062851  91.56427       4.230517  -2.058418      3.102326  
1 1 1 8   21 16 o 71.41407 1.279940  51.05505       1.826896  52.64495       2.643386  49.60124       2.527734  2.124008       2.559880  
1 1 1 8   21 17 o 23.69651 0.6793126 5.511653       0.3170339 7.085736       0.4832091 4.321917       0.4200943 5.829576       1.358625  
1 1 1 8   21 18 o 99.58218 1.121222  99.34670       2.232990  99.91165       3.174791  98.79362       3.141326  0.5593796      2.242445  
1 1 1 8   21 19 o 22.43055 0.6859686 5.031344       0.3075231 4.775520       0.4292098 5.301208       0.4408297 -1.171381      1.371937  
1 1 1 8   21 20 o 52.77674 0.7328421 27.68045       0.7700929 25.87993       1.031265  29.95008       1.157844  -3.850750      1.465684  
1 1 1 8   21 21 o 34.23746 0.6543063 11.63036       0.4461057 10.55148       0.5991443 12.97259       0.6682803 -3.532959      1.308613  
1 1 1 8   21 22 f 48.75551 0.7104965 23.38864       0.6860085 20.98696       0.8967027 26.77803       1.065248  -5.930653      1.420993  
1 1 1 8   21 23 o 93.02583 1.061508  86.73083       1.974946  86.91107       2.797217  86.55170       2.788794  0.1925354      2.123015  
1 1 1 8   21 24 o 94.10089 1.072320  88.74887       2.017933  89.64027       2.878085  87.88694       2.830096  0.9278336      2.144639  
1 1 1 8   21 25 o 66.72218 0.8403513 44.56140       1.120963  45.63092       1.613142  43.56270       1.558815  1.546158       1.680703  
1 1 1 8   21 26 o 47.38424 0.7123626 22.20058       0.6706665 25.10591       1.021584  19.99999       0.8890905 5.379646       1.424725  
1 1 1 8   21 27 o 12.58980 1.055359  1.596338       0.2580754 2.126853       0.3773943 1.130337       0.3537039 3.955344       2.110718  
1 1 1 8   21 28 o 85.94992 1.005979  74.07912       1.729063  73.31522       2.422249  74.87276       2.468948  -0.9012375     2.011958  
1 1 1 8   21 29 o 93.55333 1.077154  87.62518       2.011986  84.56387       2.749790  91.15250       2.951682  -3.498238      2.154308  
1 1 1 8   21 30 o 47.68324 0.8343019 22.36750       0.7651695 21.33155       0.9489629 24.29270       1.293659  -3.072517      1.668604  
1 1 1 8   21 31 o 43.58233 0.8850406 18.96507       0.7697884 20.39371       1.133721  17.74302       1.048551  3.031872       1.770081  
1 1 1 8   21 32 o 31.07854 0.8244046 9.651442       0.5115137 9.154582       0.6984612 10.22616       0.7511929 -1.718313      1.648809  
1 1 1 8   21 33 o 25.74296 0.8365486 6.626254       0.4298139 6.059633       0.5922228 7.256887       0.6247804 -2.321707      1.673097  
1 1 1 8   21 34 o 24.68483 0.7508242 6.106450       0.3706405 5.982900       0.5213905 6.232665       0.5269840 -0.5053158     1.501648  
1 1 1 8   21 35 o 9.708324 2.541786  0.7051896      0.6709933 0.3227522      0.9256232 1.128722       0.9740861 -2.345632      5.083571  
1 1 1 8   21 36 o 21.80170 1.297418  4.219238       0.4349713 3.937063       0.4739088 5.727806       1.095766  -3.982357      2.594837  
1 1 1 8   21 37 o 16.35205 0.9290389 2.725094       0.2989406 2.229753       0.4314255 3.182568       0.4146076 -2.916118      1.858078  
1 1 1 8   21 38 f 32.10308 0.7585080 10.00304       0.4772906 12.04860       0.7752464 8.754397       0.6056914 5.107918       1.517016  
1 1 1 8   21 39 o 27.82935 0.8357997 7.794136       0.4638552 7.228052       0.6629036 8.337206       0.6492889 -1.994864      1.671599  
1 1 1 8   21 40 o 48.24786 0.9504708 22.97156       0.9080665 26.58879       1.410113  20.40872       1.186933  6.362427       1.900942  
1 1 1 8   21 41 o 42.81986 0.9125552 18.42476       0.7814752 18.66794       1.109611  18.18543       1.100787  0.5617294      1.825110  
1 1 1 8   21 42 o 36.40668 0.8804827 13.23471       0.6390805 14.55661       0.9485946 12.13604       0.8647990 3.308002       1.760965  
1 1 1 8   21 43 o 46.11430 0.9561607 21.31182       0.8800455 20.16118       1.198662  22.65733       1.296197  -2.685154      1.912321  
1 1 1 8   21 44 o 15.70760 1.215237  2.552830       0.3691217 1.827471       0.5255367 3.259076       0.5185668 -4.559090      2.430475  
1 1 1 8   21 45 o 95.09735 1.530915  91.81814       2.909625  89.92347       4.024462  93.89308       4.211575  -2.017258      3.061830  
1 1 1 8   22 0  o 40.44314 0.6511628 16.04632       0.5212590 14.15613       0.6805325 18.72943       0.8108042 -5.651218      1.302326  
1 1 1 8   22 1  o 30.62225 0.6321337 9.337680       0.3862521 8.692882       0.5256025 10.09474       0.5695232 -2.288040      1.264267  
1 1 1 8   22 2  o 22.86777 0.6734478 5.215580       0.3074436 4.811369       0.4227442 5.669387       0.4479297 -1.875475      1.346896  
1 1 1 8   22 3  o 28.81558 0.6435291 8.270713       0.3694619 9.361570       0.5406158 7.314748       0.5060877 3.550842       1.287058  
1 1 1 8   22 4  o 60.47002 0.7738994 36.35769       0.9326075 39.34870       1.392752  33.92644       1.255684  4.479813       1.547799  
1 1 1 8   22 5  o 123.4573 1.342869  152.1093       3.305609  145.7605       4.469733  159.7736       4.911041  -5.654762      2.685737  
1 1 1 8   22 6  o 184.2177 1.951849  340.5681       7.189463  345.0518       10.30811  336.3211       10.03237  2.350372       3.903698  
1 1 1 8   22 7  o 37.74541 0.6427371 14.09322       0.4824595 16.13103       0.7273292 12.49203       0.6447177 4.818443       1.285474  
1 1 1 8   22 8  o 200.8553 2.123636  405.5104       8.530725  404.3333       12.02244  406.7040       12.10653  -0.5829163     4.247272  
1 1 1 8   22 9  o 116.4246 1.276529  135.0908       2.959465  128.5305       3.969219  143.3034       4.441044  -6.318420      2.553059  
1 1 1 8   22 10 o 97.11572 1.090055  94.36614       2.115770  96.77319       3.061903  92.16661       2.926959  2.365143       2.180110  
1 1 1 8   22 11 o 23.00953 1.270929  5.257961       0.5819493 4.838094       0.7770663 5.794203       0.8781798 -2.071802      2.541858  
1 1 1 8   22 12 o 83.58954 1.415794  69.88850       2.363204  72.98971       3.462484  67.18405       3.233413  3.457596       2.831588  
1 1 1 8   22 13 o 78.90091 1.160196  63.27811       1.736132  65.38074       2.158478  59.42513       2.921892  3.816200       2.320392  
1 1 1 8   22 14 o 63.99841 0.8052868 40.84378       1.028146  38.95965       1.394979  43.08445       1.521249  -3.217422      1.610574  
1 1 1 8   22 15 o 41.80876 0.8362311 17.49801       0.6992356 17.50597       0.9891328 17.49007       0.9886044 0.1898575E-01  1.672462  
1 1 1 8   22 16 o 65.04115 0.8164554 41.73040       1.052465  46.95803       1.627660  37.97419       1.379705  6.895256       1.632911  
1 1 1 8   22 17 o 22.59191 0.6776964 5.097529       0.3054746 5.619085       0.4420038 4.620630       0.4226579 2.209028       1.355393  
1 1 1 8   22 18 o 74.55914 0.8959033 55.04398       1.325884  60.66822       2.032856  50.88011       1.749134  6.548714       1.791807  
1 1 1 8   22 19 f 150.1128 1.613674  226.3162       4.842512  222.5835       6.729165  230.3255       6.974093  -2.552551      3.227347  
1 1 1 8   22 20 o 40.73381 0.6678789 16.60539       0.5440467 16.49496       0.7628601 16.71969       0.7761075 -0.2752228     1.335758  
1 1 1 8   22 21 o 104.8098 1.171740  110.1500       2.456178  109.9423       3.465847  110.3596       3.481326  -0.1978073     2.343480  
1 1 1 8   22 22 o 99.17966 1.121544  98.60126       2.224119  99.97850       3.189117  97.29709       3.103393  1.344460       2.243088  
1 1 1 8   22 23 o 143.6949 1.553934  207.2306       4.458427  214.5561       6.535054  200.8522       6.097950  4.712296       3.107868  
1 1 1 8   22 24 o 67.89320 0.8517054 46.17699       1.156495  46.35156       1.638141  46.00352       1.632933  0.2559204      1.703411  
1 1 1 8   22 25 o 87.04930 1.013732  75.70625       1.760273  79.72204       2.606503  72.33894       2.386788  4.219543       2.027465  
1 1 1 8   22 26 o 99.66805 1.130269  99.68594       2.252670  98.54248       3.151567  100.8804       3.221083  -1.164742      2.260538  
1 1 1 8   22 27 o 30.14448 0.6888281 8.999403       0.4127263 7.806807       0.5535941 10.49180       0.6192805 -4.448755      1.377656  
1 1 1 8   22 28 o 54.97559 0.7656065 30.25993       0.8414822 29.56100       1.170731  31.00694       1.210327  -1.311649      1.531213  
1 1 1 8   22 29 o 34.47779 0.6890590 11.82251       0.4733380 10.58919       0.6410790 13.30070       0.7018421 -3.927223      1.378118  
1 1 1 8   22 30 o 28.15619 0.7145497 7.934348       0.4021284 8.331091       0.5783558 7.563046       0.5595035 1.362169       1.429099  
1 1 1 8   22 31 o 27.75445 0.7202187 7.719100       0.3996837 7.937508       0.5662658 7.502270       0.5642160 0.7838879      1.440437  
1 1 1 8   22 32 o 48.62234 0.8309806 23.68442       0.7932112 23.81470       1.248671  23.59628       1.027061  0.1991920      1.661961  
1 1 1 8   22 33 o 74.14441 1.415472  55.39147       2.097871  54.35081       2.910250  56.51720       3.026858  -1.436829      2.830944  
1 1 1 8   22 34 o 6.191129 1.558673  0.3172787      0.2536252 0.1104877      0.3809747 0.4818747      0.3398912 -1.514978      3.117345  
1 1 1 8   22 35 o 28.82184 0.8449464 8.334717       0.4870441 8.410420       0.6918034 8.260321       0.6858045 0.2595406      1.689893  
1 1 1 8   22 36 o 5.431371 1.512503  0.8915618E-01  0.2685024 -0.3024288     0.4141251 0.3731505      0.3526739 -1.974528      3.025005  
1 1 1 8   22 37 o 18.50647 0.9970530 3.472937       0.3643467 2.849552       0.5166069 4.089882       0.5139315 -3.351542      1.994106  
1 1 1 8   22 38 o 18.86998 0.9642394 3.571901       0.3633677 3.856444       0.5254995 3.311204       0.5029979 1.440586       1.928479  
1 1 1 8   22 39 o 9.581004 1.561625  0.9499649      0.2977827 1.320121       0.4421577 0.6427127      0.4028396 3.344049       3.123249  
1 1 1 8   22 40 o 38.89368 0.8853694 15.20066       0.6886835 15.37019       0.9773570 15.03349       0.9705696 0.4315147      1.770739  
1 1 1 8   22 41 o 36.56947 0.8838832 13.22030       0.6411805 15.43750       0.9829404 11.57810       0.8459365 5.250065       1.767766  
1 1 1 8   22 42 f 18.82895 2.893408  0.000000       0.000000  ?              ?         3.643512       1.089597  ?              ?         
1 1 1 8   22 43 o 27.06255 0.9065806 7.329622       0.4894480 7.983474       0.7224491 6.774907       0.6654292 2.219864       1.813161  
1 1 1 8   22 44 o 24.94075 0.9415481 6.259729       0.4662709 5.304030       0.6470855 7.291848       0.6724595 -3.979231      1.883096  
1 1 1 8   23 0  o 154.9355 1.657156  240.8117       5.134624  239.2950       7.206972  242.3751       7.317194  -0.9863434     3.314312  
1 1 1 8   23 1  o 103.9212 1.155013  107.4663       2.388140  101.7020       3.187847  114.8388       3.605212  -6.299942      2.310026  
1 1 1 8   23 2  f 67.43155 0.8261561 45.22602       1.109260  42.67770       1.486317  48.42994       1.666575  -4.258759      1.652312  
1 1 1 8   23 3  o 59.66893 0.7665061 35.51027       0.9130005 37.60415       1.342597  33.70902       1.245247  3.260651       1.533012  
1 1 1 8   23 4  o 106.7479 1.182522  113.4041       2.511367  107.3163       3.351336  121.2008       3.792690  -6.480026      2.365044  
1 1 1 8   23 5  o 12.50316 0.9096442 1.570151       0.2266259 1.704519       0.3179094 1.431316       0.3231498 1.092750       1.819288  
1 1 1 8   23 6  o 32.10216 0.6325392 10.30844       0.4060211 10.20779       0.5669839 10.41438       0.5816998 -0.3213558     1.265078  
1 1 1 8   23 7  o 104.5205 1.524176  109.7225       3.123247  108.8530       4.920413  110.3093       4.041914  -0.7587662     3.048352  
1 1 1 8   23 8  o 94.31253 1.546946  89.15627       2.915803  87.24996       4.032104  91.24593       4.221555  -2.104439      3.093892  
1 1 1 8   23 9  o 71.24371 1.156447  50.84482       1.601311  50.82305       2.037042  50.88003       2.590684  -0.8583069E-02 2.312894  
1 1 1 8   23 10 o 74.11374 0.8886245 54.40561       1.307935  59.87825       1.999493  50.31254       1.729205  6.441093       1.777249  
1 1 1 8   23 11 o 99.46720 1.547432  98.93235       3.069319  94.89795       4.153684  103.7849       4.555426  -4.434418      3.094864  
1 1 1 8   23 12 o 53.07108 0.7324656 28.11325       0.7763933 29.75311       1.133952  26.66610       1.065238  2.905659       1.464931  
1 1 1 8   23 13 o 54.93704 0.7393259 30.19815       0.8120953 29.87650       1.132679  30.53839       1.164953  -0.6010857     1.478652  
1 1 1 8   23 14 o 69.16541 0.8495103 47.86757       1.174574  47.07066       1.631208  48.72570       1.692695  -1.193443      1.699021  
1 1 1 8   23 15 o 82.13056 0.9606127 67.04731       1.569039  63.00222       2.089085  72.28206       2.376512  -5.632492      1.921225  
1 1 1 8   23 16 f 42.99123 0.6756107 18.46244       0.5803114 19.59037       0.8411028 17.43775       0.8016840 2.501778       1.351221  
1 1 1 8   23 17 f 59.96565 0.7818111 35.88387       0.9354428 34.36376       1.271177  37.67939       1.381535  -2.758549      1.563622  
1 1 1 8   23 18 o 124.0817 1.357083  154.4888       3.367139  152.7850       4.706919  156.2745       4.818759  -1.395515      2.714166  
1 1 1 8   23 19 o 64.11525 0.8163612 40.96564       1.043627  38.72089       1.410125  43.68432       1.551857  -3.862122      1.632722  
1 1 1 8   23 20 f 124.4095 1.362374  155.3553       3.388497  152.8102       4.712646  158.0796       4.875625  -2.099808      2.724748  
1 1 1 8   23 21 o 106.6408 1.190979  114.0686       2.539440  115.7639       3.643288  112.4667       3.541495  1.535683       2.381958  
1 1 1 8   23 22 o 101.1807 1.140023  102.7086       2.306871  102.0417       3.244480  103.3905       3.280637  -0.6628189     2.280046  
1 1 1 8   23 23 o 97.07043 1.104283  94.48088       2.142714  92.64018       2.972002  96.47334       3.092074  -1.961342      2.208567  
1 1 1 8   23 24 o 35.82755 0.6840628 12.61397       0.4855411 15.07426       0.7465292 10.81020       0.6392117 5.943157       1.368126  
1 1 1 8   23 25 o 66.33421 0.8449184 44.03036       1.119637  42.78719       1.539214  45.42731       1.631636  -1.981667      1.689837  
1 1 1 8   23 26 f 28.30482 0.6953995 8.002987       0.3930209 7.408234       0.5416091 8.664507       0.5712017 -2.216848      1.390799  
1 1 1 8   23 27 o 12.24266 1.062072  1.519437       0.2569734 1.268983       0.3670993 1.760084       0.3598399 -2.006616      2.124144  
1 1 1 8   23 28 f 10.04731 1.288048  1.045280       0.2490033 1.081181       0.3631442 1.013423       0.3420863 0.3247261      2.576096  
1 1 1 8   23 29 o 33.93507 0.7013690 11.53701       0.4759732 11.76337       0.6755186 11.31383       0.6707622 0.6619034      1.402738  
1 1 1 8   23 30 o 47.08213 1.238745  22.28886       1.166045  21.90298       1.623099  22.70043       1.676259  -0.8377838     2.477489  
1 1 1 8   23 31 o 59.31828 1.077551  35.68558       1.158527  36.15213       1.378638  34.56428       2.137277  1.454041       2.155102  
1 1 1 8   23 32 f 17.18989 0.8941926 2.956974       0.3054827 3.443428       0.4445986 2.521934       0.4204480 2.677142       1.788385  
1 1 1 8   23 33 o 30.28636 0.7330283 9.102461       0.4409699 7.760061       0.5938613 10.75232       0.6583663 -4.932230      1.466057  
1 1 1 8   23 34 o 35.96430 0.7300884 12.96914       0.5251060 13.02859       0.7393059 12.90862       0.7459629 0.1676445      1.460177  
1 1 1 8   23 35 o 10.52283 1.396347  1.147950       0.2806566 1.194025       0.4306971 1.113947       0.3699987 0.3367357      2.792695  
1 1 1 8   23 36 o 25.77946 0.8557322 6.671851       0.4406453 6.235776       0.6184853 7.121384       0.6279559 -1.716166      1.711464  
1 1 1 8   23 37 o 38.12875 0.8764048 14.58937       0.6680657 15.08410       0.9601489 14.12508       0.9301406 1.252388       1.752810  
1 1 1 8   23 38 o 47.10195 0.9395583 22.30212       0.8850675 22.45253       1.249331  22.15057       1.254031  0.3214569      1.879117  
1 1 1 8   23 39 f 53.59328 1.006351  28.89861       1.078383  28.62912       1.504949  29.18301       1.546008  -0.5075722     2.012702  
1 1 1 8   23 40 o 29.80155 0.8762905 8.890624       0.5212915 9.574250       0.7651370 8.298408       0.7121469 2.130068       1.752581  
1 1 1 8   23 41 o 4.718460 1.483387  -0.1619660     0.2781044 -0.4539425E-01 0.4343339 -0.2429685     0.3620565 1.029077       2.966774  
1 1 1 8   23 42 o 66.03526 1.154001  43.93586       1.522409  45.59540       2.217694  42.45674       2.093678  2.341187       2.308002  
1 1 1 8   23 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   24 0  o 91.42989 1.442605  83.72403       2.635174  81.54734       3.627908  86.15507       3.834026  -2.505249      2.885210  
1 1 1 8   24 1  o 115.3521 1.773615  133.5791       4.090159  131.3789       5.688015  135.9350       5.885770  -1.957520      3.547230  
1 1 1 8   24 2  o 174.3085 2.942848  314.1945       8.440709  295.7438       17.83823  319.5174       9.581204  -7.971649      5.885696  
1 1 1 8   24 3  o 54.30497 1.119333  29.42745       1.212433  28.04365       1.642840  31.08270       1.796756  -2.789345      2.238665  
1 1 1 8   24 4  o 124.7922 1.953085  156.4816       4.871376  153.4574       6.744123  159.7807       7.043990  -2.503159      3.906169  
1 1 1 8   24 5  o 70.48444 1.081643  50.07518       1.423448  50.63945       1.732329  48.90226       2.497601  1.275177       2.163286  
1 1 1 8   24 6  o 88.67346 1.017717  78.74573       1.804715  78.24438       2.531672  79.26370       2.573344  -0.5724792     2.035433  
1 1 1 8   24 7  o 95.78334 1.499944  91.45401       2.858149  86.54007       3.813206  97.75423       4.317710  -5.812843      2.999889  
1 1 1 8   24 8  f 13.68722 0.8982542 1.879500       0.2450149 2.069842       0.3474409 1.691198       0.3455735 1.383108       1.796508  
1 1 1 8   24 9  o 38.94246 0.6587828 15.16986       0.5129277 15.72297       0.7326038 14.63801       0.7183838 1.392498       1.317566  
1 1 1 8   24 10 o 122.6272 1.341024  150.4110       3.281576  145.0413       4.465240  156.7172       4.838953  -4.731361      2.682048  
1 1 1 8   24 11 o 108.7621 1.207629  118.2847       2.621673  123.3147       3.857272  113.9661       3.574110  4.276550       2.415257  
1 1 1 8   24 12 o 24.06670 0.6762192 5.697811       0.3219253 4.675365       0.4273594 7.039101       0.4894796 -4.908028      1.352438  
1 1 1 8   24 13 o 60.47632 0.7837281 36.59541       0.9476360 37.58095       1.360992  35.66799       1.320256  1.579342       1.567456  
1 1 1 8   24 14 o 178.2092 1.901674  319.5139       6.771636  312.2185       9.339087  327.6015       9.833080  -4.250122      3.803349  
1 1 1 8   24 15 o 38.01794 0.6696063 14.47134       0.5089035 14.97399       0.7194477 13.96799       0.7199490 1.323078       1.339213  
1 1 1 8   24 16 o 41.50403 0.6782343 16.93644       0.5576578 15.00690       0.7303572 19.63403       0.8635696 -5.567463      1.356469  
1 1 1 8   24 17 o 79.46532 0.9428205 63.24804       1.497990  64.40382       2.150562  62.15874       2.087788  1.407814       1.885641  
1 1 1 8   24 18 o 79.66440 0.9472939 63.01870       1.499421  58.82230       1.987227  68.56582       2.284774  -6.091484      1.894588  
1 1 1 8   24 19 o 32.57072 0.6673357 10.61927       0.4345304 10.58126       0.6053209 10.65969       0.6241492 -0.1192818     1.334671  
1 1 1 8   24 20 o 62.18177 0.8049269 38.51970       0.9978067 41.42093       1.485922  36.13712       1.346570  4.237888       1.609854  
1 1 1 8   24 21 o 20.47761 0.7604631 4.142812       0.3062966 5.346990       0.4610931 3.191773       0.4097718 5.258400       1.520926  
1 1 1 8   24 22 o 105.2886 1.184104  111.2531       2.492283  109.2607       3.461263  113.3983       3.591588  -1.948639      2.368207  
1 1 1 8   24 23 o 51.08497 0.7486767 26.10177       0.7641174 25.30407       1.051628  26.99394       1.112161  -1.649002      1.497353  
1 1 1 8   24 24 o 7.743067 1.464768  0.6284217      0.2356734 0.4602179      0.3418327 0.7808068      0.3253620 -1.793246      2.929535  
1 1 1 8   24 25 o 20.12061 0.7668918 4.054708       0.3084671 4.230740       0.4411161 3.886251       0.4315191 0.8551540      1.533784  
1 1 1 8   24 26 o 41.59871 0.7141448 17.28081       0.5931212 18.68542       0.8658825 16.03914       0.8141096 3.175915       1.428290  
1 1 1 8   24 27 o 30.62431 1.059389  9.434585       0.5405079 9.389949       1.141221  9.447494       0.6137059 -0.1662731     2.118778  
1 1 1 8   24 28 o 31.34823 1.385690  9.931813       0.8656498 10.77610       1.215308  9.062315       1.233318  2.736910       2.771381  
1 1 1 8   24 29 o 80.64188 0.9736237 65.15220       1.568166  67.76143       2.291729  62.85475       2.150449  3.022240       1.947247  
1 1 1 8   24 30 o 60.88317 0.8194556 37.12595       0.9970554 38.32795       1.445117  36.03394       1.377416  1.875713       1.638911  
1 1 1 8   24 31 f 25.63738 0.7460924 6.588922       0.3824552 6.381680       0.5379654 6.800708       0.5438289 -0.8165131     1.492185  
1 1 1 8   24 32 o 24.30820 0.7708988 5.932812       0.3742199 5.569472       0.5300016 6.294036       0.5284557 -1.490578      1.541798  
1 1 1 8   24 33 o 56.60312 0.8522707 32.13214       0.9584596 31.95568       1.282249  32.35559       1.442853  -0.3291321     1.704541  
1 1 1 8   24 34 o 35.18656 0.8259497 12.27043       0.5772656 11.12474       0.7638563 13.79609       0.8814715 -3.778278      1.651899  
1 1 1 8   24 35 o 32.50571 0.8424150 10.60767       0.5476237 10.78470       0.7761639 10.43218       0.7727609 0.5416756      1.684830  
1 1 1 8   24 36 o 38.60049 0.8776093 14.95662       0.6773179 15.35402       0.9722711 14.58191       0.9440945 0.9951363      1.755219  
1 1 1 8   24 37 o 84.29123 1.376321  71.84467       2.319161  73.70668       3.342653  70.11643       3.220343  2.092072       2.752641  
1 1 1 8   24 38 o 58.56866 1.057004  34.53057       1.237830  34.02638       1.727012  35.06323       1.775089  -0.8739052     2.114008  
1 1 1 8   24 39 o 23.61725 0.9239717 5.526213       0.4326590 6.647837       0.6551424 4.658669       0.5761796 4.194210       1.847943  
1 1 1 8   24 40 o 56.50982 1.273320  32.02943       1.352727  33.10949       2.373190  31.50963       1.646371  1.184742       2.546640  
1 1 1 8   24 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   25 0  o 36.16975 2.457358  0.000000       0.000000  ?              ?         13.14546       1.777641  ?              ?         
1 1 1 8   25 1  o 64.41757 1.550865  41.57658       1.998059  41.57658       1.998059  ?              ?         ?              ?         
1 1 1 8   25 2  f 51.09219 0.9503835 26.01845       0.9685097 27.85092       1.435780  24.48845       1.311941  3.283791       1.900767  
1 1 1 8   25 3  o 59.49394 1.038943  35.03077       1.226211  32.28036       1.613857  38.78710       1.886028  -5.451740      2.077886  
1 1 1 8   25 4  o 55.80353 1.007259  30.50055       1.108683  27.21689       1.430289  35.44356       1.754853  -7.351295      2.014518  
1 1 1 8   25 5  o 128.1418 1.956464  165.1232       5.009217  161.1949       6.903950  169.4901       7.279137  -3.190750      3.912928  
1 1 1 8   25 6  o 71.20100 1.030872  51.14456       1.418944  49.40215       2.305497  52.20703       1.800309  -2.003304      2.061744  
1 1 1 8   25 7  f 86.78366 1.004813  75.45762       1.743950  75.18106       2.453096  75.74021       2.479758  -0.3203278     2.009625  
1 1 1 8   25 8  o 55.47144 0.7498196 30.71633       0.8305767 32.44997       1.216595  29.20293       1.136696  2.922581       1.499639  
1 1 1 8   25 9  o 32.57967 0.6540802 10.60347       0.4257016 10.22392       0.5850694 11.03047       0.6205633 -1.236177      1.308160  
1 1 1 8   25 10 o 26.28011 0.6767007 6.913608       0.3552841 6.932186       0.4914103 6.893262       0.5142636 0.7513809E-01  1.353401  
1 1 1 8   25 11 o 93.52264 1.067285  87.21495       1.988191  82.96193       2.670599  92.50303       2.977888  -5.077385      2.134570  
1 1 1 8   25 12 o 79.15007 0.9380435 62.48844       1.479954  59.57638       1.996643  66.03913       2.204736  -4.067726      1.876087  
1 1 1 8   25 13 f 75.74004 0.9093346 56.88315       1.367437  52.87003       1.806353  62.27004       2.092813  -6.184433      1.818669  
1 1 1 8   25 14 f 102.7169 1.155198  105.6974       2.370619  102.9335       3.262781  108.7879       3.450185  -2.831680      2.310395  
1 1 1 8   25 15 o 60.44937 0.7975466 36.42757       0.9618231 39.13197       1.422413  34.14934       1.305537  4.113251       1.595093  
1 1 1 8   25 16 o 101.2421 1.141473  102.7779       2.309945  101.0061       3.202134  104.7003       3.335454  -1.810570      2.282946  
1 1 1 8   25 17 o 53.29735 0.7457821 28.02573       0.7884136 31.90469       1.213585  25.19306       1.037076  6.283508       1.491564  
1 1 1 8   25 18 o 48.04095 0.7175227 23.11467       0.6893560 23.16633       0.9694770 23.06183       0.9804081 0.1095695      1.435045  
1 1 1 8   25 19 o 25.32311 0.7056233 6.375446       0.3555512 5.549822       0.4823372 7.357936       0.5261677 -3.566841      1.411247  
1 1 1 8   25 20 o 29.52022 0.6878496 8.691051       0.4047228 9.772932       0.5917898 7.740411       0.5547345 3.439823       1.375699  
1 1 1 8   25 21 o 28.91331 0.6893447 8.372724       0.3986018 8.490910       0.5645862 8.255270       0.5628342 0.4073563      1.378689  
1 1 1 8   25 22 o 41.27519 0.6988997 16.95453       0.5748183 15.80701       0.7734000 18.37074       0.8591817 -3.098423      1.397799  
1 1 1 8   25 23 o 52.23547 0.7485468 27.32969       0.7817190 26.97424       1.087996  27.70900       1.123913  -0.6999016     1.497094  
1 1 1 8   25 24 o 26.37602 1.192300  7.598608       0.5014362 5.993991       1.054362  8.067619       0.5700269 -4.001150      2.384600  
1 1 1 8   25 25 o 47.64590 1.212180  22.83313       1.153947  22.90774       1.597998  22.75183       1.668113  0.1751785      2.424359  
1 1 1 8   25 26 o 37.42279 0.7043442 13.78870       0.5225699 12.00547       0.6881855 16.21721       0.8031028 -5.615829      1.408688  
1 1 1 8   25 27 o 42.11731 0.7186499 17.74598       0.6047493 18.86062       0.8745260 16.72449       0.8371851 2.532021       1.437300  
1 1 1 8   25 28 o 51.25581 0.7627454 26.31545       0.7815166 26.99050       1.127121  25.69040       1.084569  1.263378       1.525491  
1 1 1 8   25 29 o 42.78629 0.7301541 18.32000       0.6242536 19.33501       0.9039189 17.39448       0.8631476 2.262829       1.460308  
1 1 1 8   25 30 o 71.01091 0.9075763 50.61957       1.288785  49.92422       1.804716  51.34320       1.841062  -0.9933548     1.815153  
1 1 1 8   25 31 o 45.16109 0.7499205 20.34795       0.6752668 19.16173       0.9122876 21.78543       1.004268  -2.892654      1.499841  
1 1 1 8   25 32 o 36.42675 0.8204833 13.32582       0.5961921 13.47460       0.8167896 13.15616       0.8722235 0.4453430      1.640967  
1 1 1 8   25 33 o 33.02180 0.8433933 10.94666       0.5569921 10.90050       0.7842312 10.99364       0.7912268 -0.1398773     1.686787  
1 1 1 8   25 34 o 23.82972 0.8842016 5.682837       0.4206287 6.128364       0.6162905 5.294311       0.5755180 1.742804       1.768403  
1 1 1 8   25 35 o 53.69413 1.001972  29.00506       1.075887  29.51993       1.534163  28.50680       1.509212  0.9379120      2.003945  
1 1 1 8   25 36 o 43.60227 0.9098316 18.94923       0.7900123 21.02546       1.184465  17.28545       1.060310  4.263882       1.819663  
1 1 1 8   25 37 o 34.26532 0.8640734 11.79024       0.5919342 12.09223       0.8514305 11.50772       0.8235103 0.8473663      1.728147  
1 1 1 8   25 38 o 19.33140 1.371033  0.000000       0.000000  ?              ?         3.761737       0.5300798 ?              ?         
1 1 1 8   25 39 o 11.03038 2.219294  1.279812       0.4723856 1.279812       0.4723856 ?              ?         ?              ?         
1 1 1 8   25 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   26 0  o 41.50618 0.6814311 16.90500       0.5598813 14.82761       0.7315801 19.84171       0.8698279 -6.033569      1.362862  
1 1 1 8   26 1  o 73.28947 0.8872679 53.79709       1.300546  53.93780       1.841067  53.65692       1.837436  0.1913910      1.774536  
1 1 1 8   26 2  o 93.48813 1.067017  87.13825       1.987528  92.72129       2.971726  82.61970       2.673454  5.380302       2.134034  
1 1 1 8   26 3  o 127.5280 1.392074  163.1546       3.548766  166.4403       5.118049  160.1121       4.924946  2.462204       2.784148  
1 1 1 8   26 4  o 68.16545 0.8447616 46.53333       1.151640  46.76049       1.625426  46.30434       1.631924  0.3349838      1.689523  
1 1 1 8   26 5  f 36.32628 0.6609446 13.20793       0.4801025 13.20882       0.6724817 13.20701       0.6856447 0.3139496E-02  1.321889  
1 1 1 8   26 6  o 81.77597 0.9649794 66.99196       1.578068  68.14956       2.251194  65.87357       2.212754  1.388786       1.929959  
1 1 1 8   26 7  o 48.03054 0.8358561 21.89708       0.7472864 20.02815       0.8888308 26.40381       1.380233  -6.604706      1.671712  
1 1 1 8   26 8  o 70.05795 1.164643  49.21087       1.631216  48.43397       2.269165  50.04166       2.346557  -1.140053      2.329286  
1 1 1 8   26 9  o 123.1507 1.888386  152.8342       4.648513  150.0455       6.445927  155.8560       6.710002  -2.317528      3.776772  
1 1 1 8   26 10 o 70.32169 1.167533  49.55803       1.640597  48.35431       2.263309  50.89077       2.381510  -1.791672      2.335067  
1 1 1 8   26 11 o 95.62323 1.304599  92.52029       2.404672  89.16331       3.931218  94.52727       3.039656  -2.906364      2.609197  
1 1 1 8   26 12 o 49.52908 0.7246662 24.51615       0.7171065 25.97803       1.040087  23.19154       0.9900460 2.809631       1.449332  
1 1 1 8   26 13 f 70.23644 0.8672358 49.30756       1.215900  47.50251       1.658583  51.40472       1.787757  -2.766937      1.734472  
1 1 1 8   26 14 o 19.74587 0.7556282 3.889656       0.2978065 3.624801       0.4064753 4.196573       0.4375649 -1.445415      1.511256  
1 1 1 8   26 15 o 111.9270 1.245703  125.8473       2.788492  126.5227       3.960000  125.1830       3.927250  0.5941696      2.491406  
1 1 1 8   26 16 o 58.05468 0.7819740 33.37756       0.9021087 37.30472       1.374108  30.40288       1.195920  5.929413       1.563948  
1 1 1 8   26 17 o 71.07143 0.8799084 50.63377       1.250700  50.60999       1.762738  50.65786       1.774837  -0.3250122E-01 1.759817  
1 1 1 8   26 18 o 56.00430 0.7717694 31.38955       0.8636295 30.63784       1.190636  32.22418       1.254585  -1.410557      1.543539  
1 1 1 8   26 19 o 68.32775 0.8630400 46.80366       1.179357  46.54790       1.660075  47.06427       1.675759  -0.3762207     1.726080  
1 1 1 8   26 20 o 73.67738 0.9071611 54.15353       1.331611  51.32257       1.790483  57.65742       1.991952  -4.275879      1.814322  
1 1 1 8   26 21 o 39.78907 1.001479  16.34803       0.7042587 14.90316       1.331772  16.90892       0.8297713 -2.584335      2.002957  
1 1 1 8   26 22 o 55.87582 1.246866  31.35320       1.391929  30.26332       1.915473  32.57269       2.026156  -2.047798      2.493732  
1 1 1 8   26 23 o 23.23917 0.7548247 5.408961       0.3506559 5.176607       0.4894863 5.653910       0.5025775 -1.025568      1.509649  
1 1 1 8   26 24 o 52.91869 0.7671748 28.06893       0.8118507 28.71422       1.153636  27.43582       1.142702  1.206680       1.534350  
1 1 1 8   26 25 o 58.83266 0.8085872 34.70138       0.9512580 34.43715       1.330792  34.97744       1.360256  -0.4556770     1.617174  
1 1 1 8   26 26 o 25.37978 0.7407748 6.456231       0.3757367 6.126553       0.5275198 6.795717       0.5353099 -1.317408      1.481550  
1 1 1 8   26 27 o 48.27347 0.7475824 23.35958       0.7216618 23.70539       1.031468  23.02799       1.010037  0.6989288      1.495165  
1 1 1 8   26 28 o 23.05453 0.7756092 5.315546       0.3567259 4.810913       0.4914015 5.877750       0.5186759 -2.310009      1.551218  
1 1 1 8   26 29 o 47.51378 0.7533976 22.63001       0.7157770 23.24720       1.023917  22.04014       1.000995  1.267174       1.506795  
1 1 1 8   26 30 o 40.85452 0.8198133 16.46255       0.6536152 15.52251       0.8274124 18.02277       1.065961  -3.024216      1.639627  
1 1 1 8   26 31 o 35.40307 0.8533384 12.58274       0.6041526 12.67716       0.8618436 12.49151       0.8471474 0.2597389      1.706677  
1 1 1 8   26 32 f 31.76642 0.8625256 10.07478       0.5461268 9.038010       0.7432000 11.29176       0.8052002 -3.536661      1.725051  
1 1 1 8   26 33 o 44.04675 0.9130607 19.50083       0.8043247 19.69972       1.141534  19.30474       1.133483  0.4467468      1.826121  
1 1 1 8   26 34 o 31.19017 0.8732515 9.774000       0.5447221 9.848480       0.7738308 9.700844       0.7669225 0.2353401      1.746503  
1 1 1 8   26 35 o 35.26804 0.8723348 12.46548       0.6144680 13.30015       0.8957710 11.72367       0.8444739 2.224781       1.744670  
1 1 1 8   26 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   26 37 o 21.60455 0.9461843 4.684048       0.4081005 5.095036       0.5932240 4.314794       0.5622993 1.798491       1.892369  
1 1 1 8   26 38 o 47.91262 1.189289  22.79566       1.058185  24.24055       1.913033  22.15867       1.270200  1.983391       2.378578  
1 1 1 8   27 0  o 53.49931 0.7415482 28.63204       0.7928221 28.01343       1.095456  29.31247       1.148892  -1.210735      1.483096  
1 1 1 8   27 1  o 97.57218 1.106876  95.44729       2.159454  97.01906       3.096891  93.95981       3.012708  1.559784       2.213752  
1 1 1 8   27 2  o 63.96436 0.8190666 40.92151       1.046928  42.41302       1.519471  39.57351       1.444530  2.214336       1.638133  
1 1 1 8   27 3  o 58.33743 0.7752199 34.08387       0.9043909 34.15679       1.270533  34.00897       1.287642  0.1278496      1.550440  
1 1 1 8   27 4  o 59.01241 0.7801122 34.58168       0.9162796 37.95587       1.381243  31.92984       1.224501  5.094898       1.560224  
1 1 1 8   27 5  o 51.54633 0.7369632 26.46327       0.7576060 28.65018       1.123546  24.63987       1.025929  3.883484       1.473926  
1 1 1 8   27 6  o 38.41139 0.6819319 14.75663       0.5235092 15.55101       0.7531111 14.01387       0.7282237 1.999302       1.363864  
1 1 1 8   27 7  o 33.17875 0.6770748 11.00166       0.4488714 10.50204       0.6192814 11.55469       0.6515471 -1.584221      1.354150  
1 1 1 8   27 8  o 131.0782 1.432734  172.1278       3.743811  164.8242       5.055902  180.9938       5.570528  -6.094101      2.865468  
1 1 1 8   27 9  o 50.73482 0.7302145 25.66698       0.7388907 24.32450       1.000419  27.27826       1.096009  -2.903786      1.460429  
1 1 1 8   27 10 o 53.32121 0.7491478 28.03209       0.7914586 25.33311       1.036384  31.80853       1.225921  -6.057240      1.498296  
1 1 1 8   27 11 o 45.96074 0.7144520 21.15921       0.6565315 21.80282       0.9297009 20.51899       0.9272554 1.396469       1.428904  
1 1 1 8   27 12 f 41.33882 0.8206547 17.04052       0.6674916 16.67400       0.8649430 17.58022       1.049572  -1.079811      1.641309  
1 1 1 8   27 13 o 16.31427 0.9518619 2.667284       0.3097928 2.935376       0.4451677 2.415536       0.4313839 1.591747       1.903724  
1 1 1 8   27 14 o 40.57644 0.8524973 16.49809       0.6915640 16.31646       0.9627426 16.69174       0.9940468 -0.4593506     1.704995  
1 1 1 8   27 15 o 47.97012 0.9206673 22.62056       0.8725775 20.27792       1.131478  26.05828       1.370657  -5.998577      1.841335  
1 1 1 8   27 16 f 80.69504 1.144678  65.50999       1.773503  65.08205       2.949703  65.75227       2.219480  -0.5181198     2.289356  
1 1 1 8   27 17 o 55.73085 0.7765685 31.12736       0.8655683 31.30923       1.226635  30.94699       1.221578  0.3244858      1.553137  
1 1 1 8   27 18 o 69.42358 1.342597  48.51881       1.863914  48.15056       2.611189  48.90137       2.661476  -0.5317154     2.685194  
1 1 1 8   27 19 o 74.92343 1.244979  57.07404       1.844656  62.39220       2.510783  50.83663       2.719132  7.746536       2.489958  
1 1 1 8   27 20 o 31.41426 0.7081808 9.878613       0.4439850 10.80662       0.6385394 9.010032       0.6177555 2.857473       1.416362  
1 1 1 8   27 21 f 47.10635 0.7375197 22.23480       0.6947246 22.80504       0.9897181 21.68091       0.9754161 1.191654       1.475039  
1 1 1 8   27 22 o 26.40295 0.7291130 6.980804       0.3842184 7.621387       0.5520894 6.379163       0.5350451 2.350616       1.458226  
1 1 1 8   27 23 o 18.47583 0.8491277 3.424959       0.3136723 3.334271       0.4441721 3.515182       0.4430293 -0.4897346     1.698255  
1 1 1 8   27 24 f 35.46069 0.7095342 12.59616       0.5030437 13.03107       0.7211689 12.18403       0.7020391 1.192112       1.419068  
1 1 1 8   27 25 o 35.59621 0.7142936 12.65072       0.5074645 11.84123       0.6916449 13.59461       0.7468573 -2.455990      1.428587  
1 1 1 8   27 26 o 45.39777 0.7432225 20.66360       0.6745854 20.56450       0.9408483 20.76845       0.9677354 -0.2211037     1.486445  
1 1 1 8   27 27 o 60.96248 0.8827580 37.13178       1.064897  36.13553       1.398991  38.50420       1.642018  -1.904549      1.765516  
1 1 1 8   27 28 o 26.58192 0.8035194 7.040501       0.4251495 6.608953       0.5684763 7.588226       0.6404406 -1.831179      1.607039  
1 1 1 8   27 29 o 64.63248 1.117584  42.06285       1.444563  41.83668       2.030113  42.29483       2.055973  -0.3487091     2.235169  
1 1 1 8   27 30 o 49.86616 0.9613000 24.99196       0.9586043 25.38161       1.369030  24.61716       1.342696  0.7613792      1.922600  
1 1 1 8   27 31 o 99.83327 1.585080  101.2390       3.164821  101.6936       4.491550  100.7909       4.460083  0.4410172      3.170159  
1 1 1 8   27 32 o 74.11635 1.240281  55.44439       1.838178  56.20549       2.629881  54.71739       2.570296  0.9876099      2.480563  
1 1 1 8   27 33 f 74.77109 1.772387  0.000000       0.000000  ?              ?         56.47557       2.650466  ?              ?         
1 1 1 8   27 34 o 22.10870 2.137434  4.965199       0.9451174 4.965199       0.9451174 ?              ?         ?              ?         
1 1 1 8   27 35 o 15.13635 1.178150  2.355450       0.3489890 1.840876       0.5014932 2.838647       0.4859632 -3.300397      2.356301  
1 1 1 8   27 36 o 24.76119 0.9109847 6.154943       0.4503915 6.365899       0.6601034 5.971191       0.6160733 0.7870579      1.821969  
1 1 1 8   28 0  o 86.82846 1.009965  75.35028       1.749633  79.36519       2.586270  71.96220       2.375815  4.240868       2.019931  
1 1 1 8   28 1  o 22.98648 0.7284359 5.288676       0.3346702 5.202869       0.4636421 5.382019       0.4835773 -0.3881702     1.456872  
1 1 1 8   28 2  o 39.57053 0.6853371 15.57234       0.5403153 17.54635       0.8002621 13.91860       0.7324725 4.579037       1.370674  
1 1 1 8   28 3  o 48.83005 0.7244412 23.82307       0.7066317 25.24159       1.029184  22.55799       0.9719283 2.743542       1.448882  
1 1 1 8   28 4  o 11.46686 1.090647  1.314926       0.2495364 1.255256       0.3390012 1.385492       0.3686566 -0.5644579     2.181293  
1 1 1 8   28 5  o 42.89596 0.6951804 18.31323       0.5945295 20.26888       0.8804068 16.67382       0.8060841 4.184917       1.390361  
1 1 1 8   28 6  o 51.89486 0.7451993 26.93187       0.7727960 28.27173       1.119494  25.71216       1.068113  2.461948       1.490399  
1 1 1 8   28 7  o 41.76143 0.6930186 17.34309       0.5766240 16.04711       0.7754405 18.94610       0.8624150 -3.464199      1.386037  
1 1 1 8   28 8  o 70.73239 0.8783029 50.15202       1.242442  50.75823       1.764059  49.55531       1.750180  0.8489456      1.756606  
1 1 1 8   28 9  f 40.92373 0.7034671 16.77536       0.5754185 16.78957       0.8000961 16.76015       0.8281587 0.3824615E-01  1.406934  
1 1 1 8   28 10 o 5.656528 1.509538  0.2250618      0.2355450 0.3096066      0.3352418 0.1426329      0.3310201 0.7836494      3.019076  
1 1 1 8   28 11 o 34.83730 0.6850028 11.98582       0.4738872 10.62756       0.6275871 13.78753       0.7228115 -4.527302      1.370006  
1 1 1 8   28 12 o 22.75409 0.7340280 5.174489       0.3321126 5.989351       0.4828961 4.443117       0.4574893 3.395348       1.468056  
1 1 1 8   28 13 o 62.91048 0.8212506 39.52763       1.030488  37.78022       1.396206  41.61846       1.527256  -3.036472      1.642501  
1 1 1 8   28 14 o 60.73287 1.260573  37.08796       1.530760  38.17779       2.192622  36.05172       2.138051  1.741123       2.521146  
1 1 1 8   28 15 o 56.81228 1.251644  32.44201       1.421544  33.53910       2.046642  31.41939       1.975955  1.853527       2.503288  
1 1 1 8   28 16 o 27.96588 0.7196238 7.832632       0.4003679 8.959634       0.5773516 6.788643       0.5556813 3.879364       1.439248  
1 1 1 8   28 17 f 10.96868 1.269903  1.233077       0.2713613 1.320342       0.3786261 1.140911       0.3891145 0.9810772      2.539806  
1 1 1 8   28 18 o 39.09999 0.8520049 15.23484       0.6640745 16.68310       0.9880474 14.04159       0.8968490 3.366558       1.704010  
1 1 1 8   28 19 o 62.05827 1.079901  38.67036       1.339432  37.96069       1.854205  39.44482       1.936993  -1.182598      2.159801  
1 1 1 8   28 20 o 61.57716 1.075356  37.98978       1.321801  39.99218       1.944493  36.26968       1.802222  2.999115       2.150712  
1 1 1 8   28 21 f 50.47228 0.8749183 24.82113       0.8450819 28.08747       1.456660  23.16403       1.037535  4.816986       1.749837  
1 1 1 8   28 22 o 65.55386 0.8585827 43.11650       1.125286  42.67450       1.567869  43.58606       1.616012  -0.6880722     1.717165  
1 1 1 8   28 23 o 34.81450 0.7135643 12.11917       0.4960492 13.10928       0.7210529 11.22953       0.6834923 2.694946       1.427129  
1 1 1 8   28 24 f 42.93894 0.7362008 18.48614       0.6321224 18.97183       0.8982536 18.00964       0.8897197 1.119305       1.472402  
1 1 1 8   28 25 o 13.92714 1.100749  1.965003       0.2981138 2.583358       0.4330284 1.407893       0.4110247 4.215733       2.201499  
1 1 1 8   28 26 o 30.56526 0.8199373 9.379799       0.5006075 9.439882       0.6921536 9.313893       0.7249139 0.2113037      1.639875  
1 1 1 8   28 27 o 25.28392 0.8705319 6.384948       0.4389927 6.952835       0.6499802 5.908622       0.5952789 2.055470       1.741064  
1 1 1 8   28 28 o 39.78851 0.8839348 15.86776       0.7025700 14.95568       0.9679409 16.88332       1.021380  -2.412407      1.767870  
1 1 1 8   28 29 o 54.23810 1.003289  29.56566       1.087494  30.60522       1.576183  28.62119       1.502370  1.812458       2.006577  
1 1 1 8   28 30 o 50.64908 0.9734509 25.72487       0.9843995 24.42525       1.345049  27.22394       1.444575  -2.741364      1.946902  
1 1 1 8   28 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   28 32 o 57.83095 1.047982  33.68573       1.211629  33.16348       1.685132  34.24469       1.743356  -0.9196663     2.095964  
1 1 1 8   28 33 o 9.371375 1.638128  0.9391665      0.3054375 0.8245417      0.4593132 1.030039       0.4089653 -1.024775      3.276257  
1 1 1 8   28 34 f 52.30479 0.9981667 27.45502       1.041914  28.97929       1.536645  26.15791       1.417529  2.667362       1.996333  
1 1 1 8   29 0  o 32.09161 0.6896667 10.26440       0.4415576 9.505412       0.6004547 11.15816       0.6515883 -2.570841      1.379333  
1 1 1 8   29 1  o 88.95211 1.032210  79.39641       1.836148  80.42828       2.620251  78.40081       2.573783  1.133881       2.064419  
1 1 1 8   29 2  o 57.38092 0.7781900 32.97242       0.8927691 34.02804       1.281243  31.97617       1.244683  1.784489       1.556380  
1 1 1 8   29 3  o 48.12167 0.7247483 23.03557       0.6943235 21.57392       0.9291734 24.88367       1.044811  -3.428646      1.449497  
1 1 1 8   29 4  o 79.56024 0.9545673 63.34254       1.516499  66.26952       2.222591  60.79290       2.074379  3.424187       1.909135  
1 1 1 8   29 5  o 37.18114 0.6932726 13.80480       0.5145425 13.17352       0.7015567 14.53969       0.7569413 -1.832314      1.386545  
1 1 1 8   29 6  o 17.73261 0.8686272 3.182122       0.2973624 4.307070       0.4330046 2.178043       0.4090821 6.000554       1.737254  
1 1 1 8   29 7  o 41.75478 0.6997823 17.43872       0.5834252 17.01457       0.7986814 17.92400       0.8542994 -1.083912      1.399565  
1 1 1 8   29 8  o 48.68110 0.7299018 23.74277       0.7103271 23.63745       0.9887812 23.85509       1.021107  -0.2203865     1.459804  
1 1 1 8   29 9  o 34.25745 0.6942694 11.75925       0.4755775 12.02510       0.6720610 11.49259       0.6730765 0.7773094      1.388539  
1 1 1 8   29 10 o 64.27854 1.279439  41.57714       1.644469  41.56374       2.302237  41.59111       2.349753  -0.1303101E-01 2.558877  
1 1 1 8   29 11 o 8.420542 2.348703  0.3523816      0.6022361 0.7368177      0.8436958 -0.4697906E-01 0.8599168 1.953342       4.697407  
1 1 1 8   29 12 o 87.53595 1.032631  76.78036       1.804479  74.34515       2.463567  79.59916       2.650514  -2.973976      2.065261  
1 1 1 8   29 13 f 51.98899 0.7569779 27.08250       0.7867845 26.77955       1.095075  27.40573       1.131164  -0.5982819     1.513956  
1 1 1 8   29 14 o 63.34159 0.8309048 40.10540       1.050229  38.39854       1.427941  42.11668       1.550060  -2.920158      1.661810  
1 1 1 8   29 15 o 48.52897 0.7423612 23.52082       0.7187970 22.45302       0.9762273 24.78516       1.062281  -2.393433      1.484722  
1 1 1 8   29 16 o 61.98869 0.8249378 38.53410       1.022565  38.30404       1.431292  38.77394       1.461429  -0.3752365     1.649876  
1 1 1 8   29 17 o 29.77666 0.7137045 8.887259       0.4248747 9.212527       0.6034529 8.567516       0.5983073 1.082489       1.427409  
1 1 1 8   29 18 o 11.80464 1.148587  1.394919       0.2678520 1.721925       0.3945407 1.115348       0.3648044 2.563459       2.297174  
1 1 1 8   29 19 o 19.35918 0.8140095 3.731918       0.3126552 4.460501       0.4626173 3.119322       0.4241989 3.458471       1.628019  
1 1 1 8   29 20 o 48.73301 0.7521560 23.76948       0.7319876 23.01773       1.002455  24.62810       1.071350  -1.643105      1.504312  
1 1 1 8   29 21 o 34.36340 0.7189675 11.83908       0.4939957 11.83768       0.6907952 11.84055       0.7067072 -0.2140045E-02 1.437935  
1 1 1 8   29 22 o 27.05862 0.7976243 6.969505       0.4204372 5.562073       0.5292325 9.377453       0.6922393 -7.026323      1.595249  
1 1 1 8   29 23 o 31.25898 0.8130305 9.777843       0.5062882 9.501563       0.6822645 10.11643       0.7552910 -0.9720345     1.626061  
1 1 1 8   29 24 o 30.88251 0.8644298 9.441076       0.5297995 8.086559       0.7053791 11.19417       0.8024764 -5.014641      1.728860  
1 1 1 8   29 25 o 34.32718 0.8562099 11.81924       0.5874296 11.26948       0.8155761 12.41191       0.8468057 -1.658524      1.712420  
1 1 1 8   29 26 o 33.89344 0.8568780 11.51791       0.5802717 12.12147       0.8430060 10.97445       0.7999427 1.683861       1.713756  
1 1 1 8   29 27 o 22.76694 0.9160645 5.204118       0.4133455 4.308209       0.5700110 6.197706       0.6002805 -4.143587      1.832129  
1 1 1 8   29 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   29 29 f 8.033566 1.704753  0.6557889      0.3118409 0.3522223      0.4557626 0.9230016      0.4276025 -2.614738      3.409506  
1 1 1 8   29 30 o 57.33539 1.042478  33.07683       1.194438  34.47312       1.732096  31.81080       1.649322  2.299923       2.084956  
1 1 1 8   29 31 o 18.26316 1.022718  3.357563       0.3723799 3.383825       0.5498367 3.335311       0.5061243 0.1219120      2.045437  
1 1 1 8   29 32 o 41.88244 1.294634  0.000000       0.000000  ?              ?         17.64702       1.084449  ?              ?         
1 1 1 8   30 0  o 58.83465 0.7948579 34.46891       0.9318759 37.47711       1.392437  32.02863       1.254130  4.615368       1.589716  
1 1 1 8   30 1  o 60.34254 0.8037847 36.44473       0.9687584 35.44201       1.329557  37.57959       1.414442  -1.761902      1.607569  
1 1 1 8   30 2  o 86.75632 1.017765  75.41319       1.763177  72.96164       2.413188  78.22063       2.582424  -3.007347      2.035530  
1 1 1 8   30 3  o 50.25736 0.7459506 25.20341       0.7477274 23.90370       1.012570  26.76210       1.108872  -2.833885      1.491901  
1 1 1 8   30 4  o 50.15836 0.7456889 24.95322       0.7433383 22.98882       0.9858828 27.54119       1.131595  -4.522911      1.491378  
1 1 1 8   30 5  o 30.97527 1.065495  9.197227       0.6356938 11.27931       1.090940  8.126824       0.7822141 5.042265       2.130991  
1 1 1 8   30 6  f 28.20236 1.343069  8.025890       0.7560297 8.307956       1.048838  7.720821       1.090769  1.048977       2.686138  
1 1 1 8   30 7  o 52.58910 1.019433  28.73886       0.9841470 30.41170       1.197137  25.25145       1.728494  4.982014       2.038866  
1 1 1 8   30 8  o 47.24585 0.7299307 22.34957       0.6889808 21.93987       0.9490860 22.80602       1.001780  -0.9110222     1.459861  
1 1 1 8   30 9  o 47.48557 0.7383612 22.60123       0.7011606 22.96604       0.9915401 22.23636       0.9916416 0.7683220      1.476722  
1 1 1 8   30 10 o 32.87371 0.6955280 10.79535       0.4565036 10.26536       0.6236367 11.40715       0.6700460 -1.731861      1.391056  
1 1 1 8   30 11 o 28.13914 0.7136438 7.909672       0.4009697 7.437863       0.5489546 8.449285       0.5870765 -1.793028      1.427288  
1 1 1 8   30 12 o 56.02385 0.7806764 31.47390       0.8746954 31.76894       1.236272  31.17816       1.237741  0.5274391      1.561353  
1 1 1 8   30 13 f 14.24807 0.9835234 2.038865       0.2801174 2.132354       0.3994270 1.948384       0.3929441 0.6445341      1.967047  
1 1 1 8   30 14 o 31.87199 0.7079445 10.17173       0.4501009 11.22494       0.6483567 9.191963       0.6253445 3.186464       1.415889  
1 1 1 8   30 15 o 24.77736 0.7472713 6.149349       0.3699800 5.797185       0.5146456 6.526034       0.5322604 -1.468483      1.494543  
1 1 1 8   30 16 o 8.410361 1.401756  0.7325702      0.2522848 0.3316214      0.3582911 1.126846       0.3552969 -4.335613      2.803512  
1 1 1 8   30 17 o 37.15053 0.7136664 13.83864       0.5300176 14.37661       0.7519197 13.30737       0.7472185 1.438469       1.427333  
1 1 1 8   30 18 o 34.66510 0.7161105 12.00874       0.4954215 13.15998       0.7222108 10.98549       0.6808783 3.131081       1.432221  
1 1 1 8   30 19 o 8.217581 1.539088  0.7116242      0.2571220 0.6522306      0.3833891 0.7601754      0.3466333 -0.5689893     3.078175  
1 1 1 8   30 20 o 43.38903 0.7810534 18.79962       0.6705265 18.29820       0.8806216 19.49139       1.034357  -1.351402      1.562107  
1 1 1 8   30 21 o 39.19874 0.7788105 15.31804       0.6032619 14.80259       0.7883427 16.04637       0.9370923 -1.563389      1.557621  
1 1 1 8   30 22 f 30.25859 0.8082802 9.196355       0.4882468 9.283007       0.6721940 9.099583       0.7103556 0.3095131      1.616560  
1 1 1 8   30 23 o 7.123852 1.691886  0.4725622      0.2848670 0.5992610      0.4292386 0.3728354      0.3808190 1.217963       3.383771  
1 1 1 8   30 24 o 37.51154 0.8738781 14.11563       0.6550832 13.52429       0.9052539 14.76573       0.9491597 -1.646282      1.747756  
1 1 1 8   30 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   30 26 o 35.75610 0.8747973 12.79523       0.6242557 11.90692       0.8512674 13.82868       0.9181875 -2.673599      1.749595  
1 1 1 8   30 27 o 34.07804 0.8665677 11.60876       0.5888968 10.57842       0.8004032 12.82476       0.8695372 -3.280945      1.733135  
1 1 1 8   30 28 o 47.32882 0.9461251 22.32114       0.8904704 20.54613       1.184469  24.62837       1.350417  -4.273682      1.892250  
1 1 1 8   30 29 o 26.54573 0.8769493 7.088904       0.4652935 6.867904       0.6620915 7.304555       0.6540313 -0.8241959     1.753899  
1 1 1 8   31 0  o 45.36429 1.165414  20.70426       1.056160  21.96325       1.500573  19.46830       1.486793  2.747509       2.330828  
1 1 1 8   31 1  o 57.02587 1.217595  32.39716       1.381474  36.21358       2.085417  29.41271       1.844151  5.918762       2.435191  
1 1 1 8   31 2  o 59.72183 1.054750  35.92721       1.145506  36.05442       1.362886  35.62109       2.114220  0.4804535      2.109500  
1 1 1 8   31 3  o 13.64920 1.106614  1.881270       0.2977600 1.493546       0.4144534 2.294888       0.4280689 -2.933196      2.213228  
1 1 1 8   31 4  o 58.43100 0.8012664 34.23481       0.9363089 34.75079       1.332921  33.73222       1.315531  0.8694000      1.602533  
1 1 1 8   31 5  o 79.91393 0.9681896 64.06738       1.546160  62.54391       2.134889  65.74796       2.242262  -1.987885      1.936379  
1 1 1 8   31 6  o 48.76541 0.7556200 23.61608       0.7328815 21.73460       0.9756982 26.05195       1.110177  -4.409801      1.511240  
1 1 1 8   31 7  f 84.07814 1.002691  71.02805       1.685973  70.62642       2.368055  71.44091       2.400938  -0.4787598     2.005382  
1 1 1 8   31 8  o 43.57951 0.7278720 19.04244       0.6342814 19.11199       0.8891519 18.97037       0.9050788 0.1644936      1.455744  
1 1 1 8   31 9  o 32.73677 0.7080097 10.74261       0.4633642 11.17233       0.6593480 10.32329       0.6513177 1.295769       1.416019  
1 1 1 8   31 10 f 88.68655 1.044045  79.06769       1.851595  78.36912       2.592734  79.79481       2.645154  -0.7941360     2.088091  
1 1 1 8   31 11 o 20.65471 0.7938561 4.277284       0.3277058 4.508840       0.4689504 4.056290       0.4581310 1.093998       1.587712  
1 1 1 8   31 12 o 55.15839 0.7796214 30.44248       0.8589535 32.08007       1.253586  28.99321       1.179302  2.787926       1.559243  
1 1 1 8   31 13 o 36.80284 0.7125071 13.52280       0.5230162 15.00088       0.7654682 12.22853       0.7162914 3.760204       1.425014  
1 1 1 8   31 14 o 30.67663 0.7105017 9.433706       0.4356968 9.851566       0.6207731 9.028022       0.6116644 1.341106       1.421003  
1 1 1 8   31 15 f 33.69870 0.7198545 11.34607       0.4842570 10.66270       0.6611915 12.13678       0.7112285 -2.180264      1.439709  
1 1 1 8   31 16 o 64.31432 0.8532738 41.53164       1.097513  41.99904       1.553801  41.06625       1.550440  0.7246170      1.706548  
1 1 1 8   31 17 f 52.80706 0.7831587 27.87103       0.8254744 30.00334       1.213046  26.03199       1.126542  3.746727       1.566317  
1 1 1 8   31 18 o 42.09260 0.7433866 17.73638       0.6248831 19.15636       0.9053587 16.44449       0.8635589 3.214947       1.486773  
1 1 1 8   31 19 o 16.50059 0.9887581 2.746717       0.3252040 2.982842       0.4576242 2.505819       0.4622262 1.446467       1.977516  
1 1 1 8   31 20 f 22.50784 0.8451841 4.982457       0.3764616 4.253794       0.4933010 5.998654       0.5825559 -3.859308      1.690368  
1 1 1 8   31 21 o 27.43524 1.203500  0.000000       0.000000  ?              ?         7.560944       0.6603662 ?              ?         
1 1 1 8   31 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   31 23 f 37.95222 0.8717842 14.46865       0.6613926 14.23371       0.9182222 14.72198       0.9534742 -0.6360054     1.743568  
1 1 1 8   31 24 o 14.98380 1.150958  2.231154       0.3348887 3.086853       0.5074254 1.570815       0.4457537 5.041595       2.301916  
1 1 1 8   31 25 o 30.37437 0.8633083 9.271955       0.5243084 9.373377       0.7517766 9.175905       0.7316028 0.3207321      1.726617  
1 1 1 8   31 26 o 50.77746 0.9790939 25.89279       0.9928634 24.84265       1.359841  27.09179       1.453029  -2.192333      1.958188  
1 1 1 8   31 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   32 0  o 29.54947 0.7457839 8.728102       0.4387555 9.964830       0.6390002 7.624938       0.6035079 3.954628       1.491568  
1 1 1 8   32 1  o 48.95128 0.7514842 24.03148       0.7355611 24.11616       1.030523  23.94353       1.050238  0.1789474      1.502968  
1 1 1 8   32 2  o 91.18691 1.067736  83.38287       1.943501  87.38979       2.859082  79.94090       2.649875  4.044983       2.135472  
1 1 1 8   32 3  o 11.74834 1.316930  1.464372       0.2901470 1.859878       0.4009351 1.029495       0.4204176 3.705079       2.633860  
1 1 1 8   32 4  f 61.66621 0.8268227 38.15485       1.019490  38.04486       1.425138  38.27011       1.459013  -0.1776810     1.653645  
1 1 1 8   32 5  o 40.99968 0.7257829 16.77429       0.5936316 18.44282       0.8726767 15.33725       0.8098798 3.779209       1.451566  
1 1 1 8   32 6  o 48.67924 0.7504646 23.76441       0.7305981 23.75773       1.027613  23.77123       1.038924  -0.1234436E-01 1.500929  
1 1 1 8   32 7  o 51.01878 0.7644466 25.90262       0.7761478 24.14460       1.036417  28.14751       1.171173  -3.904194      1.528893  
1 1 1 8   32 8  o 42.85690 0.7331968 18.39159       0.6276297 17.91461       0.8617169 18.93052       0.9159703 -1.177845      1.466394  
1 1 1 8   32 9  o 70.27992 0.8951533 49.60330       1.258193  49.96934       1.787122  49.24355       1.771687  0.5137253      1.790307  
1 1 1 8   32 10 o 48.27868 0.7555185 23.36510       0.7291683 22.85972       1.012480  23.90966       1.050997  -1.081696      1.511037  
1 1 1 8   32 11 o 24.11093 0.7727721 5.822553       0.3706529 6.691192       0.5371801 5.033179       0.5120849 3.434467       1.545544  
1 1 1 8   32 12 o 65.42889 0.8671811 42.92092       1.133787  44.74886       1.645570  41.26897       1.564345  2.645218       1.734362  
1 1 1 8   32 13 o 21.64860 0.8037559 4.685491       0.3470581 4.233840       0.4758294 5.198884       0.5073105 -2.223747      1.607512  
1 1 1 8   32 14 o 28.08035 0.7393147 7.879827       0.4143823 7.338540       0.5659910 8.505162       0.6083491 -2.070604      1.478629  
1 1 1 8   32 15 o 27.48897 0.7467607 7.589030       0.4098953 8.112506       0.5812848 7.071299       0.5780874 1.893333       1.493521  
1 1 1 8   32 16 o 32.71548 0.7661526 10.42179       0.4930713 9.002003       0.6316164 12.63702       0.7889537 -5.528700      1.532305  
1 1 1 8   32 17 o 56.24639 0.9558973 31.83726       1.074595  31.03615       1.534825  32.60756       1.505027  -1.403183      1.911795  
1 1 1 8   32 18 o 31.56711 2.665183  10.19126       1.682643  10.19126       1.682643  ?              ?         ?              ?         
1 1 1 8   32 19 o 38.98195 1.240582  15.27311       0.9672063 15.27311       0.9672063 ?              ?         ?              ?         
1 1 1 8   32 20 o 26.69326 0.8565955 7.161196       0.4566915 7.165989       0.6633464 7.156876       0.6296862 0.1002693E-01  1.713191  
1 1 1 8   32 21 f 24.49900 0.8793373 6.019107       0.4302117 6.332249       0.6298383 5.745227       0.5890320 1.188990       1.758675  
1 1 1 8   32 22 o 56.00474 1.028393  31.52691       1.150474  32.98270       1.678831  30.23793       1.579720  2.425484       2.056786  
1 1 1 8   32 23 o 19.59806 0.9701266 3.858330       0.3798660 4.063129       0.5519773 3.674068       0.5235710 0.9857788      1.940253  
1 1 1 8   32 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   33 0  o 61.38504 0.8300591 37.82103       1.018891  37.54714       1.425791  38.10686       1.456562  -0.4508591     1.660118  
1 1 1 8   33 1  f 98.15828 1.137846  96.96333       2.232556  99.65119       3.223327  94.48491       3.095191  2.602669       2.275692  
1 1 1 8   33 2  o 53.02612 0.9430010 28.09361       0.9847490 27.34968       1.277536  29.18273       1.545785  -1.678188      1.886002  
1 1 1 8   33 3  o 46.44609 0.9473741 21.59608       0.8782926 23.22656       1.290657  20.18984       1.198629  3.251694       1.894748  
1 1 1 8   33 4  f 42.08644 0.9147832 17.61431       0.7654528 16.16376       1.017195  19.50816       1.162284  -3.946686      1.829566  
1 1 1 8   33 5  o 40.96535 0.8256152 16.58882       0.6586645 17.95261       1.078198  15.77684       0.8319491 2.614742       1.651230  
1 1 1 8   33 6  o 29.34923 0.7554255 8.613579       0.4426549 8.006270       0.6071795 9.302532       0.6467057 -2.202225      1.510851  
1 1 1 8   33 7  o 44.00689 0.7459483 19.43371       0.6563392 19.58081       0.9190475 19.28061       0.9376394 0.3440094      1.491897  
1 1 1 8   33 8  f 33.06351 0.7367659 10.87024       0.4850106 9.791439       0.6513655 12.21266       0.7266030 -3.649345      1.473532  
1 1 1 8   33 9  o 59.46562 0.8273622 35.50708       0.9838886 36.08635       1.403455  34.94726       1.379707  0.9533806      1.654724  
1 1 1 8   33 10 o 43.94557 0.7430183 19.35956       0.6525753 18.88581       0.9022679 19.87923       0.9449743 -1.123219      1.486037  
1 1 1 8   33 11 o 18.32611 0.8901921 3.377213       0.3252062 3.736446       0.4645255 3.031908       0.4554316 1.920444       1.780384  
1 1 1 8   33 12 o 43.82154 0.7433003 19.24148       0.6507879 20.49962       0.9388536 18.07784       0.9029047 2.757309       1.486601  
1 1 1 8   33 13 o 12.09011 1.871690  2.121654       0.4163806 0.1192235      0.9697366 2.574275       0.4610435 -7.802857      3.743381  
1 1 1 8   33 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   33 15 o 26.65148 1.011965  6.911535       0.5193055 6.325932       0.6409802 8.030159       0.8859005 -3.138086      2.023930  
1 1 1 8   33 16 o 22.67180 0.8989686 5.164143       0.4074072 5.390497       0.5862743 4.952761       0.5665532 0.9609680      1.797937  
1 1 1 8   33 17 f 28.02726 0.8636641 7.865226       0.4830461 8.608110       0.7074926 7.216528       0.6611230 2.472464       1.727328  
1 1 1 8   33 18 o 34.89857 0.8661453 12.23540       0.6043584 12.53573       0.8678705 11.95264       0.8420959 0.8299332      1.732291  
1 1 1 8   33 19 o 14.14642 1.155734  2.010689       0.3256773 2.282382       0.4768599 1.773176       0.4458562 1.790969       2.311467  
1 1 1 8   33 20 o 27.07652 2.244023  0.000000       0.000000  ?              ?         7.465174       1.215207  ?              ?         
1 1 1 8   34 0  o 43.46863 0.7419184 18.81198       0.6423371 17.30534       0.8622687 20.69054       0.9628320 -3.877369      1.483837  
1 1 1 8   34 1  o 33.41736 0.7365201 11.21042       0.4920079 11.50323       0.6916961 10.91055       0.6999865 0.8881226      1.473040  
1 1 1 8   34 2  o 37.28156 0.7388777 13.87150       0.5493152 12.96774       0.7430220 14.96087       0.8157611 -2.661209      1.477755  
1 1 1 8   34 3  o 62.33489 0.8417718 38.99325       1.048526  38.22770       1.447614  39.83812       1.520767  -1.278126      1.683544  
1 1 1 8   34 4  f 60.15270 0.8302358 36.32922       0.9985268 35.89378       1.392303  36.79037       1.432829  -0.7377625     1.660472  
1 1 1 8   34 5  o 22.92839 0.8299950 5.219586       0.3782594 4.543890       0.5065057 6.071623       0.5687714 -3.319908      1.659990  
1 1 1 8   34 6  o 101.9104 1.176352  104.6210       2.394655  101.7033       3.289141  107.9119       3.493167  -2.991394      2.352704  
1 1 1 8   34 7  f 23.10103 0.8253282 5.345909       0.3800918 4.771782       0.5240926 5.982943       0.5520591 -2.616123      1.650656  
1 1 1 8   34 8  o 86.88303 1.494304  76.63663       2.584985  76.28956       3.835620  76.92547       3.498972  -0.4840775     2.988607  
1 1 1 8   34 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 8   34 10 o 13.61319 1.848496  1.875376       0.5032783 1.875376       0.5032783 ?              ?         ?              ?         
1 1 1 8   34 11 o 56.18246 1.030358  31.68492       1.155348  33.68874       1.702315  29.97367       1.573137  3.272644       2.060716  
1 1 1 8   34 12 f 24.91060 0.8969624 6.179236       0.4443336 5.377444       0.5979517 7.167906       0.6639887 -3.578999      1.793925  
1 1 1 8   34 13 o 23.10549 0.9094559 5.366820       0.4189932 4.819803       0.5837833 5.947960       0.6017153 -2.437338      1.818912  
1 1 1 8   34 14 o 30.04710 0.8643698 9.026688       0.5180151 8.256337       0.7046639 9.932492       0.7641095 -2.776608      1.728740  
1 1 1 8   34 15 o 50.15206 1.382395  0.000000       0.000000  ?              ?         25.32391       1.386600  ?              ?         
1 1 1 8   35 0  o 24.23619 1.491112  5.964407       0.7224669 5.876442       1.004387  6.058718       1.039988  -0.3626308     2.982225  
1 1 1 8   35 1  o 19.95683 1.297127  3.453562       0.4441403 5.231427       0.9768669 2.990288       0.4986608 5.457268       2.594255  
1 1 1 8   35 2  o 36.25603 0.9995672 12.29403       0.6310522 15.19831       1.311333  11.41876       0.7198905 5.065121       1.999134  
1 1 1 8   35 3  o 23.12631 1.703373  5.388633       0.7772850 4.277339       1.042745  6.778302       1.166056  -5.355268      3.406746  
1 1 1 8   35 4  o 52.29736 1.932130  28.10392       2.017300  28.99545       2.801470  27.14379       2.907257  1.820705       3.864259  
1 1 1 8   35 5  f 49.29921 0.8814724 24.33315       0.8657007 23.36125       1.164750  25.53270       1.293996  -2.174446      1.762945  
1 1 1 8   35 6  o 10.55144 1.617278  1.135487       0.3448390 0.6512346      0.4648536 1.728072       0.5142278 -5.014247      3.234556  
1 1 1 8   35 7  o 75.32283 1.267192  57.35868       1.908575  56.88109       2.667770  57.85938       2.731627  -0.6294861     2.534385  
1 1 1 8   35 8  o 24.59820 0.9560610 6.048513       0.4669441 7.165633       0.6892782 5.101007       0.6347983 4.183727       1.912122  
1 1 1 8   35 9  o 20.87964 2.699275  0.000000       0.000000  ?              ?         4.474552       1.127198  ?              ?         
1 1 1 9   0  0  o 468.1786 6.877008  2197.262       64.32670  2211.521       91.63851  2183.409       90.31922  -0.000000      0.000000  
1 1 1 9   0  1  o 413.2393 6.087167  1709.078       50.20218  1759.823       73.14523  1663.887       69.02682  -0.000000      0.000000  
1 1 1 9   0  2  f 694.7643 10.20770  4841.013       141.5721  4961.050       205.5531  4732.687       195.2688  -0.000000      0.000000  
1 1 1 9   0  3  o 314.2421 6.539306  989.3151       41.05885  989.3151       41.05885  989.3151       41.05885  -0.000000      0.000000  
1 1 1 9   0  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   0  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   0  7  o 98.24805 2.202887  96.67886       4.323747  96.67886       4.323747  96.67886       4.323747  -0.000000      0.000000  
1 1 1 9   0  8  o 139.5587 2.106799  194.8106       5.868872  189.7216       8.088839  200.4676       8.528262  -0.000000      0.000000  
1 1 1 9   0  9  o 231.9866 3.430974  538.3303       15.88489  553.8784       23.14184  524.4777       21.84357  -0.000000      0.000000  
1 1 1 9   0  10 o 245.4473 3.625739  603.1663       17.77298  613.7794       25.60682  593.3011       24.68793  -0.000000      0.000000  
1 1 1 9   0  11 o 240.8990 3.559079  581.3514       17.13087  581.8885       24.25191  580.8165       24.20158  -0.000000      0.000000  
1 1 1 9   0  12 o 192.8878 2.867256  372.2510       11.03932  381.6740       16.04424  363.7792       15.21284  -0.000000      0.000000  
1 1 1 9   0  13 o 144.5042 2.171479  209.1159       6.268873  210.9440       8.939054  207.3466       8.793781  -0.000000      0.000000  
1 1 1 9   0  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   0  15 o 282.1350 4.167822  790.6653       23.30861  852.8682       35.74707  744.6592       30.74274  -0.000000      0.000000  
1 1 1 9   0  16 o 176.0893 2.624036  310.4464       9.227533  316.1021       13.30392  305.2032       12.80952  -0.000000      0.000000  
1 1 1 9   0  17 f 137.9855 2.084988  187.8599       5.676173  208.3503       8.911567  173.8722       7.362956  -0.000000      0.000000  
1 1 1 9   0  18 o 16.36634 0.9755788 2.608766       0.2961501 4.124420       0.4743872 1.640863       0.3790958 -0.000000      0.000000  
1 1 1 9   0  19 o 197.7232 2.943256  387.4457       11.51773  422.4543       17.81212  362.2895       15.09910  -0.000000      0.000000  
1 1 1 9   0  20 o 201.6636 2.996176  407.0297       12.05699  418.8281       17.59151  396.5774       16.55772  -0.000000      0.000000  
1 1 1 9   0  21 f 338.0933 4.986221  1147.742       33.68313  1150.484       47.76579  1145.029       47.50556  -0.000000      0.000000  
1 1 1 9   0  22 f 139.9017 2.111490  195.4528       5.886330  187.9110       7.982580  204.4411       8.714555  -0.000000      0.000000  
1 1 1 9   0  23 o 146.1210 2.200659  212.8519       6.398035  202.8610       8.590898  225.2945       9.587249  -0.000000      0.000000  
1 1 1 9   0  24 o 182.9999 2.728841  334.4049       9.946127  320.8637       13.44130  350.7924       14.78665  -0.000000      0.000000  
1 1 1 9   0  25 o 223.1156 3.310617  499.1594       14.75654  503.9083       21.07725  494.5938       20.66659  -0.000000      0.000000  
1 1 1 9   0  26 o 175.6942 2.624781  308.8930       9.200725  300.0840       12.61228  318.9138       13.45184  -0.000000      0.000000  
1 1 1 9   0  27 o 155.8271 2.343266  242.4428       7.272333  232.4164       9.825843  254.5881       10.81434  -0.000000      0.000000  
1 1 1 9   0  28 o 47.81346 0.9391634 22.76148       0.8933570 21.00916       1.203704  24.91031       1.332955  -0.000000      0.000000  
1 1 1 9   0  29 o 6.993893 1.921542  0.6746450      0.3265051 0.1405142      0.4918627 1.095425       0.4365636 -0.000000      0.000000  
1 1 1 9   0  30 o 114.2753 1.763040  130.0198       4.004265  122.9512       5.344779  139.0635       6.045516  -0.000000      0.000000  
1 1 1 9   0  31 o 149.1075 2.251446  222.6675       6.699440  216.6164       9.209341  229.4693       9.763831  -0.000000      0.000000  
1 1 1 9   0  32 f 29.45942 0.8830594 8.563868       0.5131254 9.997631       0.7960136 7.544516       0.6711872 -0.000000      0.000000  
1 1 1 9   0  33 f 55.18120 1.015653  30.51377       1.118949  29.62986       1.566223  31.43524       1.599156  -0.000000      0.000000  
1 1 1 9   0  34 o 153.0840 2.313291  235.2487       7.074351  232.7646       9.903975  237.8363       10.10844  -0.000000      0.000000  
1 1 1 9   0  35 o 20.14569 1.030624  4.207166       0.4016638 3.406317       0.5862869 4.915525       0.5513942 -0.000000      0.000000  
1 1 1 9   0  36 o 154.2634 2.333922  238.8349       7.185772  232.6914       9.891408  245.7004       10.45656  -0.000000      0.000000  
1 1 1 9   0  37 o 113.5236 2.497068  129.3565       5.663419  129.3565       5.663419  129.3565       5.663419  -0.000000      0.000000  
1 1 1 9   0  38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   0  39 o 85.84776 1.970856  73.94376       3.379908  73.94376       3.379908  73.94376       3.379908  -0.000000      0.000000  
1 1 1 9   0  40 o 57.49905 1.068377  32.83116       1.217223  35.79088       1.867071  30.64328       1.605266  -0.000000      0.000000  
1 1 1 9   0  41 o 36.06594 0.9465451 13.09580       0.6790773 12.70624       0.9859731 13.44735       0.9366450 -0.000000      0.000000  
1 1 1 9   0  42 o 80.88205 1.345415  65.52409       2.170846  62.82897       2.977757  68.58128       3.171470  -0.000000      0.000000  
1 1 1 9   0  43 o 24.85189 1.053817  6.302696       0.5149186 5.458594       0.7384290 7.101616       0.7183940 -0.000000      0.000000  
1 1 1 9   0  44 o 7.362126 2.405454  0.7595451      0.3880509 1.023234       0.6124659 0.5827001      0.5015710 -0.000000      0.000000  
1 1 1 9   0  45 f 22.50920 1.096487  4.957488       0.4782803 6.114612       0.7818946 4.265669       0.6045806 -0.000000      0.000000  
1 1 1 9   0  46 o 13.16189 1.873869  2.011814       0.4190018 1.590907       0.6363221 2.334018       0.5567365 -0.000000      0.000000  
1 1 1 9   0  47 o 43.09269 1.001000  18.67888       0.8595783 17.58160       1.213870  19.78254       1.217392  -0.000000      0.000000  
1 1 1 9   0  48 o 50.64003 1.056275  25.73694       1.065150  26.22567       1.568059  25.31822       1.451396  -0.000000      0.000000  
1 1 1 9   0  49 o 8.782967 2.438790  0.9958364      0.4287879 1.548574       0.6866369 0.6424917      0.5489931 -0.000000      0.000000  
1 1 1 9   0  50 o 12.32686 2.217792  1.824172       0.4540788 1.690265       0.7613155 1.898111       0.5657189 -0.000000      0.000000  
1 1 1 9   0  51 o 23.68922 1.255555  5.714498       0.5777608 5.799839       0.9081740 5.656475       0.7488393 -0.000000      0.000000  
1 1 1 9   0  52 o 18.00938 1.467950  3.323189       0.5087504 3.759879       0.8098442 3.038501       0.6538824 -0.000000      0.000000  
1 1 1 9   0  53 o 49.45950 1.116608  24.66209       1.098499  24.22970       1.611506  25.03738       1.501360  -0.000000      0.000000  
1 1 1 9   0  54 o 33.10010 1.517128  11.52928       0.9443266 12.51939       1.197892  9.903838       1.534839  -0.000000      0.000000  
1 1 1 9   0  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   0  56 o 19.61241 2.330500  4.176398       0.7699364 4.116773       0.9300300 4.306273       1.372602  -0.000000      0.000000  
1 1 1 9   1  0  o 430.7150 6.330396  1858.654       54.52299  1840.510       76.28526  1877.602       77.95618  -4.286499      12.66079  
1 1 1 9   1  1  o 473.6410 6.962319  2248.140       65.93606  2284.148       94.55399  2214.056       91.99402  7.366852       13.92464  
1 1 1 9   1  2  o 263.0864 3.875540  692.5067       20.38808  701.2045       29.18293  684.2136       28.49554  3.224243       7.751080  
1 1 1 9   1  3  o 374.5533 5.501196  1404.937       41.20436  1416.662       58.84261  1393.656       57.71723  3.059723       11.00239  
1 1 1 9   1  4  o 172.7770 2.245892  294.1031       7.156306  287.2588       8.546311  310.1623       13.09102  -6.608871      4.491785  
1 1 1 9   1  5  o 514.7417 5.345923  2643.462       54.85972  2777.324       81.58981  2533.005       74.11451  23.65448       10.69185  
1 1 1 9   1  6  o 571.2679 7.386932  3214.626       77.14847  3131.983       91.48548  3418.075       143.5416  -24.29480      14.77386  
1 1 1 9   1  7  o 335.8969 4.932762  1129.764       33.13669  1135.328       47.11215  1124.317       46.61650  1.634216       9.865524  
1 1 1 9   1  8  f 179.4453 2.669950  319.2354       9.508368  344.7366       14.56802  300.3094       12.55019  12.36794       5.339900  
1 1 1 9   1  9  f 132.8596 1.996831  175.9335       5.290414  168.8863       7.160360  184.4053       7.850762  -5.837372      3.993661  
1 1 1 9   1  10 o 263.9534 3.381023  692.1016       16.63057  711.3880       29.66608  683.2628       20.08300  5.251343       6.762046  
1 1 1 9   1  11 o 410.4872 4.260951  1687.240       34.98094  1692.494       49.61087  1682.044       49.33136  1.269684       8.521901  
1 1 1 9   1  12 o 343.0849 3.571597  1178.072       24.50300  1167.073       34.27685  1189.566       35.04074  -3.270111      7.143193  
1 1 1 9   1  13 o 447.8852 6.595956  2007.083       58.91538  1929.402       79.78611  2100.227       87.36684  -18.91037      13.19191  
1 1 1 9   1  14 o 76.87306 0.8711262 59.07864       1.338976  58.24002       1.868015  59.96483       1.920261  -1.121689      1.742252  
1 1 1 9   1  15 f 325.6466 4.794266  1063.037       31.21740  1050.904       43.58777  1075.814       44.73054  -3.802032      9.588532  
1 1 1 9   1  16 f 233.4127 2.438378  545.1559       11.38117  540.3297       15.92825  550.1901       16.26793  -2.108307      4.876756  
1 1 1 9   1  17 o 204.6648 2.145546  418.8474       8.776525  410.9442       12.15046  427.4692       12.69093  -4.030930      4.291091  
1 1 1 9   1  18 o 362.9467 3.772431  1320.031       27.37562  1302.983       38.16107  1338.105       39.29372  -4.812744      7.544861  
1 1 1 9   1  19 o 211.3859 2.213957  447.2672       9.359836  448.0804       13.27946  446.4643       13.19456  0.3809662      4.427913  
1 1 1 9   1  20 o 201.5760 2.113079  405.9254       8.504311  393.7550       11.62693  419.9274       12.47123  -6.477798      4.226159  
1 1 1 9   1  21 o 121.9033 1.309041  148.6258       3.190946  150.4268       4.565627  146.9061       4.461533  1.442955       2.618082  
1 1 1 9   1  22 f 157.7123 1.668683  246.8579       5.227512  232.6722       6.925178  265.6475       7.970099  -10.44048      3.337365  
1 1 1 9   1  23 o 139.9713 1.490198  195.9742       4.170752  193.6873       5.824385  198.3809       5.975174  -1.674652      2.980397  
1 1 1 9   1  24 o 247.5074 2.585094  613.6400       12.79604  610.4981       17.99636  616.8528       18.19799  -1.278931      5.170187  
1 1 1 9   1  25 o 101.8109 1.115653  103.6884       2.271655  103.2599       3.198970  104.1242       3.226417  -0.4241409     2.231306  
1 1 1 9   1  26 o 32.50143 0.5957381 10.55525       0.3870112 11.08404       0.5558165 10.05762       0.5391948 1.578926       1.191476  
1 1 1 9   1  27 o 73.64103 0.8565484 53.94289       1.256538  57.52040       1.881534  51.06290       1.688174  4.382446       1.713097  
1 1 1 9   1  28 o 161.5285 1.710414  261.2065       5.525310  259.7320       7.765611  262.7183       7.863241  -0.9219971     3.420828  
1 1 1 9   1  29 o 193.7684 2.039185  375.2780       7.886554  389.6346       11.60413  362.9543       10.75119  6.856445       4.078371  
1 1 1 9   1  30 o 171.6973 1.815200  295.3229       6.233257  295.9501       8.834998  294.7013       8.795448  0.3622742      3.630401  
1 1 1 9   1  31 o 44.97041 0.6545158 20.22684       0.5886442 20.50167       0.8371805 19.95810       0.8278354 0.6042290      1.309032  
1 1 1 9   1  32 o 116.6190 1.266818  136.1147       2.953784  134.1542       4.115936  138.1967       4.241455  -1.728882      2.533637  
1 1 1 9   1  33 o 79.60330 0.9174837 63.28965       1.458595  61.18760       1.998759  65.68431       2.133341  -2.820427      1.834967  
1 1 1 9   1  34 o 40.39798 0.6291628 16.27588       0.5075433 15.23807       0.6962983 17.45239       0.7413693 -2.739632      1.258326  
1 1 1 9   1  35 f 54.54223 0.8842328 29.66668       0.9035067 30.09257       1.590422  29.46374       1.097868  0.5577278      1.768466  
1 1 1 9   1  36 o 124.7251 1.915947  156.2232       4.776639  159.0235       6.893963  153.6375       6.624470  2.135025       3.831894  
1 1 1 9   1  37 o 39.71545 0.8202412 15.47161       0.6337509 14.51141       0.7972239 17.12024       1.044624  -3.273853      1.640482  
1 1 1 9   1  38 o 55.49857 0.7325771 30.82058       0.8130320 30.45752       1.138538  31.19837       1.161404  -0.6665268     1.465154  
1 1 1 9   1  39 o 59.79751 0.9489861 35.49508       1.054555  34.96141       1.269802  36.68132       1.893149  -1.400650      1.897972  
1 1 1 9   1  40 o 18.77981 1.251851  3.827141       0.4215142 5.593434       0.5871509 1.948758       0.6054946 9.705155       2.503702  
1 1 1 9   1  41 o 57.03461 0.9044614 33.20569       1.000970  29.77195       1.575070  35.53201       1.296434  -5.069260      1.808923  
1 1 1 9   1  42 o 53.06835 1.029020  28.04956       1.086254  26.55543       1.448530  29.96942       1.641982  -3.199131      2.058041  
1 1 1 9   1  43 o 19.86784 1.165531  4.040878       0.4530261 3.484505       0.6860058 4.471166       0.6032870 -2.492701      2.331061  
1 1 1 9   1  44 o 57.87463 0.7731935 33.49962       0.8941535 32.23173       1.232955  34.90622       1.298649  -2.305130      1.546387  
1 1 1 9   1  45 o 22.06268 0.7933429 4.866020       0.3480320 5.633132       0.5059285 4.176912       0.4795161 3.297707       1.586686  
1 1 1 9   1  46 o 32.17223 0.7031059 10.36892       0.4522479 10.39129       0.6486282 10.34776       0.6308910 0.6600571E-01  1.406212  
1 1 1 9   1  47 o 41.99212 0.7133301 17.64462       0.5985695 16.67158       0.8310117 18.69375       0.8628983 -2.404671      1.426660  
1 1 1 9   1  48 o 40.90421 0.7104484 16.75993       0.5810704 17.26360       0.8303636 16.27661       0.8134139 1.204697       1.420897  
1 1 1 9   1  49 o 15.46458 1.098949  2.414689       0.3347864 2.963886       0.4821727 1.903472       0.4652022 3.425559       2.197899  
1 1 1 9   1  50 o 14.57006 1.153061  2.137516       0.3356635 2.260664       0.4769275 2.016642       0.4725030 0.8365154      2.306123  
1 1 1 9   1  51 o 21.24335 0.8945595 4.539546       0.3778883 5.164982       0.5399008 3.938900       0.5290926 2.884058       1.789119  
1 1 1 9   1  52 o 8.669882 1.795562  0.7777516      0.3315979 0.7163430      0.4616025 0.8432317      0.4766603 -0.6207390     3.591124  
1 1 1 9   1  53 f 14.43913 1.744936  2.076494       0.4391924 2.353153       0.8534930 1.976851       0.5122130 0.9045792      3.489872  
1 1 1 9   1  54 o 8.085681 1.972034  0.4996156      0.3957027 0.1954267      0.5030086 0.9935139      0.6409476 -3.423800      3.944068  
1 1 1 9   1  55 o 56.47078 0.8234548 32.01928       0.9295888 32.72272       1.339788  31.36628       1.290851  1.191021       1.646910  
1 1 1 9   1  56 o 37.80560 1.706730  0.000000       0.000000  ?              ?         14.43672       1.290479  ?              ?         
1 1 1 9   2  0  o 147.9373 1.934430  214.8826       5.247731  209.1139       6.234502  228.9036       9.719680  -6.676437      3.868859  
1 1 1 9   2  1  o 184.9421 1.938131  341.9711       7.166420  346.8825       10.29578  337.3552       9.981232  2.574646       3.876263  
1 1 1 9   2  2  f 694.1409 7.203359  4802.178       99.48263  5106.943       150.1181  4563.528       132.8403  38.91272       14.40672  
1 1 1 9   2  3  o 474.4088 4.941653  2252.057       46.85599  2214.679       64.88256  2292.799       67.73843  -8.206726      9.883306  
1 1 1 9   2  4  o 653.3716 6.797142  4277.190       88.77735  4204.428       123.2518  4355.644       127.9821  -11.50995      13.59428  
1 1 1 9   2  5  o 243.3322 2.538072  590.2852       12.31614  567.3054       16.67521  617.8675       18.26900  -10.38162      5.076144  
1 1 1 9   2  6  o 291.4889 3.034493  849.9055       17.68687  841.1654       24.72005  859.0725       25.31666  -3.068085      6.068987  
1 1 1 9   2  7  o 461.4755 4.791845  2131.631       44.21321  2103.530       61.63309  2161.424       63.46080  -6.255188      9.583691  
1 1 1 9   2  8  o 285.4402 2.973970  814.7732       16.97100  801.3502       23.60112  829.1451       24.42113  -4.863678      5.947940  
1 1 1 9   2  9  o 118.5362 1.551502  140.7159       3.479827  141.1063       4.279991  139.9546       5.977029  0.4916458      3.103003  
1 1 1 9   2  10 o 202.2751 2.991714  406.7813       12.03675  433.5503       18.19664  385.9559       16.04983  11.74898       5.983429  
1 1 1 9   2  11 o 269.0058 3.962201  720.1769       21.20642  765.3272       31.99605  684.8052       28.32009  14.92740       7.924401  
1 1 1 9   2  12 o 345.3978 5.076410  1195.534       35.06683  1191.651       49.39612  1199.479       49.79019  -1.127289      10.15282  
1 1 1 9   2  13 o 43.79318 0.9678283 20.19699       0.7840841 16.26982       1.321710  22.32958       0.9739819 -6.919666      1.935657  
1 1 1 9   2  14 o 527.5953 5.481036  2791.701       57.82315  2758.941       80.78183  2826.122       82.80424  -6.325195      10.96207  
1 1 1 9   2  15 o 348.1644 3.618164  1213.907       25.19084  1202.700       35.27529  1225.570       35.98577  -3.273376      7.236329  
1 1 1 9   2  16 o 285.2899 4.205756  814.5157       23.96205  792.1742       32.84358  839.9418       35.03762  -8.326935      8.411511  
1 1 1 9   2  17 o 98.93497 1.087170  96.45660       2.126869  88.93939       2.768176  107.2888       3.322945  -9.270187      2.174341  
1 1 1 9   2  18 o 280.2363 2.920784  784.6328       16.33538  759.7447       22.25456  813.7075       24.05363  -9.595642      5.841567  
1 1 1 9   2  19 o 246.1291 2.569160  606.0437       12.63654  619.8253       18.31830  593.5313       17.45451  5.325577       5.138319  
1 1 1 9   2  20 o 264.2899 2.757892  698.9386       14.56437  716.6058       21.14509  682.9909       20.08967  6.336121       5.515784  
1 1 1 9   2  21 o 129.5633 1.384658  167.8645       3.586724  165.3561       4.992532  170.5401       5.156216  -1.998779      2.769317  
1 1 1 9   2  22 o 179.3467 1.887788  321.8984       6.771173  323.5774       9.620784  320.2503       9.531608  0.9262085      3.775577  
1 1 1 9   2  23 o 17.80199 0.6890494 3.180276       0.2413130 3.955882       0.3490436 2.470127       0.3339901 4.172914       1.378099  
1 1 1 9   2  24 o 124.6261 1.339154  155.3094       3.336517  158.0969       4.801742  152.7071       4.639532  2.160355       2.678307  
1 1 1 9   2  25 o 66.36917 0.7937498 43.27373       1.040757  49.03419       1.634519  39.34569       1.349736  7.296623       1.587500  
1 1 1 9   2  26 o 134.7474 1.439972  181.5369       3.878036  177.8322       5.367253  185.5837       5.609508  -2.872437      2.879945  
1 1 1 9   2  27 o 41.40408 0.6230562 17.04530       0.5144194 18.60333       0.7629746 15.74674       0.6965519 3.449150       1.246112  
1 1 1 9   2  28 o 191.4044 2.014330  366.0369       7.694158  353.7075       10.47504  380.4829       11.33856  -6.968994      4.028660  
1 1 1 9   2  29 o 171.8489 1.815834  295.7677       6.240924  296.4474       8.849014  295.0950       8.803165  0.3921661      3.631669  
1 1 1 9   2  30 o 186.2081 1.962801  346.5348       7.292911  360.7840       10.76033  334.4279       9.918497  7.044403       3.925602  
1 1 1 9   2  31 o 125.7272 1.354959  158.2638       3.407099  158.3080       4.821811  158.2197       4.814927  0.3488922E-01  2.709917  
1 1 1 9   2  32 o 14.97640 0.8358648 2.239246       0.2476924 1.819427       0.3401099 2.713380       0.3614424 -2.984047      1.671730  
1 1 1 9   2  33 o 116.0870 1.537232  136.6793       3.432075  128.9451       5.608310  141.3099       4.339526  -5.389008      3.074463  
1 1 1 9   2  34 o 29.20996 0.9081048 8.538632       0.5289586 8.550078       0.7786828 8.528825       0.7207881 0.3447151E-01  1.816210  
1 1 1 9   2  35 o 53.42664 0.9139469 28.75971       0.9700334 31.73501       1.349406  25.57804       1.395420  5.763924       1.827894  
1 1 1 9   2  36 f 48.63676 0.6817863 23.63127       0.6626301 24.66025       0.9613971 22.70012       0.9145578 2.013573       1.363573  
1 1 1 9   2  37 o 46.91888 0.6797912 21.49824       0.6294577 25.49458       0.9932975 18.81639       0.8137000 7.110325       1.359582  
1 1 1 9   2  38 o 102.3450 1.136155  104.9568       2.325560  104.5904       3.277899  105.3280       3.299888  -0.3589554     2.272310  
1 1 1 9   2  39 o 79.84471 0.9305744 63.17131       1.474606  69.24561       2.261964  58.68177       1.944639  6.595863       1.861149  
1 1 1 9   2  40 f 81.12196 0.9453758 65.83767       1.532333  67.81395       2.227176  64.06129       2.111538  2.305313       1.890752  
1 1 1 9   2  41 o 47.91378 0.8591074 22.06824       0.7549868 20.78811       0.8914392 25.31620       1.419938  -4.689079      1.718215  
1 1 1 9   2  42 o 15.28121 1.334523  2.370942       0.4017802 2.523271       0.5352072 2.174251       0.6081657 1.150556       2.669046  
1 1 1 9   2  43 o 50.26113 0.7281830 25.12861       0.7294505 23.11113       0.9840460 27.58935       1.086786  -4.447277      1.456366  
1 1 1 9   2  44 o 21.17851 0.7782498 4.489028       0.3294369 4.713557       0.4738338 4.278941       0.4583408 1.024771       1.556500  
1 1 1 9   2  45 o 26.27275 0.7246143 6.911521       0.3805495 6.599911       0.5323505 7.237160       0.5442017 -1.211725      1.449229  
1 1 1 9   2  46 o 8.448720 1.608948  0.7440999      0.2778483 0.7825645      0.4005739 0.7084349      0.3857205 0.4001408      3.217895  
1 1 1 9   2  47 o 17.50240 0.9214692 3.065050       0.3220475 3.310407       0.4685567 2.845359       0.4433740 1.325327       1.842938  
1 1 1 9   2  48 o 40.67315 0.7218496 16.57845       0.5871922 16.67223       0.8323733 16.48554       0.8284709 0.2290916      1.443699  
1 1 1 9   2  49 o 49.86610 0.7472413 24.88144       0.7444785 23.80196       1.025318  26.08521       1.082729  -2.282368      1.494483  
1 1 1 9   2  50 o 43.61559 0.7410571 19.05181       0.6459410 19.66576       0.9361148 18.49381       0.8924461 1.337791       1.482114  
1 1 1 9   2  51 o 19.74188 0.9193501 3.913294       0.3629186 3.859694       0.5069982 3.969618       0.5197274 -0.2762604     1.838700  
1 1 1 9   2  52 o 27.26181 1.185451  7.495446       0.6383910 7.461544       0.9814959 7.520305       0.8404647 -0.1409721     2.370902  
1 1 1 9   2  53 o 36.12222 0.7712504 13.09322       0.5569080 13.68093       0.7946319 12.52590       0.7807258 1.596394       1.542501  
1 1 1 9   2  54 o 14.62700 1.209997  2.161545       0.3531478 2.125954       0.5148875 2.193161       0.4852793 -0.2377930     2.419993  
1 1 1 9   2  55 o 29.51223 0.8229881 8.754446       0.4855574 9.022842       0.6853706 8.483986       0.6880007 0.9134769      1.645976  
1 1 1 9   2  56 f 16.25826 2.907361  2.751131       0.9986004 4.435410       1.515019  1.457246       1.327881  7.972579       5.814722  
1 1 1 9   3  0  o 322.4664 3.351921  1040.453       21.61762  1038.380       30.56468  1042.529       30.57917  -0.6430969     6.703842  
1 1 1 9   3  1  o 381.0278 3.953164  1452.995       30.12494  1456.915       42.72895  1449.122       42.47836  1.020782       7.906327  
1 1 1 9   3  2  o 527.7262 5.506569  2786.989       58.06597  2735.065       80.12867  2844.409       84.26257  -10.31683      11.01314  
1 1 1 9   3  3  f 99.18500 1.082382  98.37495       2.146849  97.90765       3.009210  98.85932       3.063731  -0.4796295     2.164764  
1 1 1 9   3  4  o 596.5923 6.197533  3560.503       73.82279  3465.602       100.9860  3669.423       108.1880  -16.99487      12.39507  
1 1 1 9   3  5  o 452.6103 4.722105  2028.998       42.37058  1895.221       55.67074  2213.177       65.32184  -35.03479      9.444210  
1 1 1 9   3  6  o 388.0017 4.026162  1502.990       31.17305  1561.573       45.95851  1453.071       42.42402  13.95380       8.052323  
1 1 1 9   3  7  o 213.3557 2.231405  455.2050       9.518883  460.5646       13.65747  450.1419       13.27418  2.440811       4.462810  
1 1 1 9   3  8  o 194.3360 2.036792  376.8333       7.899141  391.1490       11.63864  364.6072       10.75568  6.824936       4.073584  
1 1 1 9   3  9  o 143.5042 2.148111  203.0545       6.090512  224.3946       9.543056  188.3887       7.911206  12.53696       4.296221  
1 1 1 9   3  10 o 171.7793 1.806934  295.0872       6.206813  291.8707       8.681431  298.4506       8.877366  -1.914307      3.613868  
1 1 1 9   3  11 o 272.0640 2.832486  740.6385       15.41194  743.4011       21.89036  737.9232       21.70241  1.005249       5.664972  
1 1 1 9   3  12 o 230.4893 2.932129  534.6667       12.87801  541.7676       16.00572  521.6311       21.68624  4.418991       5.864258  
1 1 1 9   3  13 o 104.1837 1.598732  103.0020       3.192277  90.62336       3.899918  128.1371       5.557242  -17.99443      3.197464  
1 1 1 9   3  14 o 467.0172 6.885503  2191.148       64.26894  2230.293       92.93232  2155.264       88.97668  7.925140       13.77101  
1 1 1 9   3  15 o 110.0401 1.675895  120.0066       3.660374  112.5967       4.832659  129.9783       5.606138  -7.891983      3.351791  
1 1 1 9   3  16 o 52.81940 0.8070328 28.40911       0.8369128 23.24734       1.221232  32.97991       1.149197  -9.213352      1.614066  
1 1 1 9   3  17 o 175.9173 2.621317  309.1865       9.207201  299.7300       12.59097  320.0550       13.49822  -5.763428      5.242634  
1 1 1 9   3  18 o 208.8389 2.187585  436.4231       9.135241  441.0870       13.07529  431.9755       12.76853  2.177124       4.375170  
1 1 1 9   3  19 o 96.74577 1.065407  93.34775       2.056598  97.40923       3.036561  89.90595       2.795330  3.875908       2.130815  
1 1 1 9   3  20 o 285.3197 2.972264  814.7094       16.94279  836.4661       24.65106  795.2297       23.32532  7.194489       5.944529  
1 1 1 9   3  21 f 133.4542 1.425571  178.1525       3.804534  176.4549       5.331853  179.9134       5.430346  -1.294678      2.851141  
1 1 1 9   3  22 o 144.3817 1.535039  208.1461       4.425041  201.6910       6.049351  215.5752       6.489738  -4.802582      3.070078  
1 1 1 9   3  23 o 174.2749 1.836805  303.9482       6.401664  301.7776       8.985225  306.1858       9.122990  -1.262451      3.673609  
1 1 1 9   3  24 o 25.25657 0.6084378 6.199206       0.3016575 8.189510       0.4690507 4.795358       0.3939309 6.718914       1.216876  
1 1 1 9   3  25 o 201.8249 2.118789  407.4942       8.545775  417.0759       12.38318  398.7814       11.80840  4.519440       4.237579  
1 1 1 9   3  26 o 289.1852 3.016421  838.6763       17.44530  834.3235       24.53265  843.1290       24.81250  -1.512878      6.032843  
1 1 1 9   3  27 o 26.08798 0.6278617 6.771200       0.3266305 6.129415       0.4451622 7.519658       0.4807367 -2.664244      1.255723  
1 1 1 9   3  28 o 28.91790 0.6195402 8.336699       0.3572226 9.313086       0.5202269 7.465580       0.4913841 3.194126       1.239080  
1 1 1 9   3  29 o 75.70792 0.8781037 56.77776       1.320201  52.91277       1.745769  61.94065       2.017709  -5.958313      1.756207  
1 1 1 9   3  30 o 107.1682 1.173812  114.8047       2.513493  111.9723       3.464469  117.9525       3.652187  -2.785545      2.347623  
1 1 1 9   3  31 o 111.2356 1.507960  120.8484       3.052409  131.3176       5.754038  116.7485       3.600827  6.472214       3.015919  
1 1 1 9   3  32 o 44.47440 0.9236593 19.76394       0.8206089 20.37536       1.196140  19.22030       1.127896  1.296730       1.847319  
1 1 1 9   3  33 o 46.70825 0.8522382 21.90519       0.7821680 22.23882       1.019602  21.42808       1.219297  0.8735352      1.704476  
1 1 1 9   3  34 o 12.01783 1.057475  1.509815       0.2359878 2.008263       0.3327753 1.005563       0.3347073 4.296520       2.114950  
1 1 1 9   3  35 o 51.14795 0.6920868 26.06952       0.7062406 27.70735       1.044505  24.69011       0.9585690 2.946869       1.384174  
1 1 1 9   3  36 o 75.94388 0.8922276 57.36171       1.348914  61.53536       2.029722  54.06017       1.805251  4.911888       1.784455  
1 1 1 9   3  37 o 41.84227 0.6529991 17.51826       0.5464311 17.58630       0.7773383 17.45180       0.7682817 0.1604156      1.305998  
1 1 1 9   3  38 o 44.61640 0.6694582 19.50186       0.5908068 23.01776       0.9214194 17.04720       0.7699007 6.685200       1.338916  
1 1 1 9   3  39 o 38.23518 0.6527710 14.61863       0.4989565 15.08780       0.7185039 14.18163       0.6934262 1.183891       1.305542  
1 1 1 9   3  40 o 40.30408 0.6650243 16.25562       0.5360159 16.52220       0.7638117 15.99695       0.7523988 0.6510735      1.330049  
1 1 1 9   3  41 o 77.76414 1.289871  60.68673       2.005806  61.89603       2.866198  59.52606       2.807975  1.517670       2.579741  
1 1 1 9   3  42 o 21.69371 0.7528676 4.722257       0.3258298 5.085701       0.4594266 4.354457       0.4621716 1.685570       1.505735  
1 1 1 9   3  43 o 48.60880 0.9968482 23.40270       0.9630678 26.91651       1.457944  20.68251       1.282776  6.394310       1.993696  
1 1 1 9   3  44 o 10.68918 3.204463  0.000000       0.000000  ?              ?         1.173335       0.7388024 ?              ?         
1 1 1 9   3  45 f 9.721522 1.511679  0.9914327      0.2874086 1.215650       0.4108095 0.7764720      0.4022402 2.200912       3.023359  
1 1 1 9   3  46 f 47.62566 0.7211156 22.72555       0.6868319 22.63604       0.9653360 22.81731       0.9774309 -0.1891403     1.442231  
1 1 1 9   3  47 f 30.65345 0.7068865 9.405932       0.4330714 9.186541       0.5991090 9.646025       0.6267357 -0.7467556     1.413773  
1 1 1 9   3  48 o 9.930000 1.562966  1.035954       0.3030870 0.9103791      0.4274016 1.162982       0.4298685 -1.246388      3.125933  
1 1 1 9   3  49 o 75.24341 0.9240287 56.70829       1.388263  59.14038       2.035509  54.59309       1.898269  3.000542       1.848057  
1 1 1 9   3  50 o 9.787271 1.787184  1.043927       0.3549663 0.7521149      0.5654601 1.233707       0.4560106 -2.137819      3.574368  
1 1 1 9   3  51 o 13.32427 1.860174  1.721550       0.4863645 3.063722       0.7776756 0.8593375      0.6233062 8.131256       3.720347  
1 1 1 9   3  52 f 9.096426 1.729609  0.8750880      0.3274432 1.081047       0.4522291 0.6481147      0.4747398 2.058671       3.459219  
1 1 1 9   3  53 o 19.73657 0.9804630 3.916460       0.3868097 3.739570       0.5401723 4.102629       0.5541589 -0.9166965     1.960926  
1 1 1 9   3  54 o 16.28415 1.143293  2.677664       0.3718140 2.542589       0.5298464 2.808714       0.5218928 -0.8191948     2.286587  
1 1 1 9   3  55 o 17.28878 1.140155  3.020663       0.3937059 3.149557       0.5514429 2.886652       0.5622838 0.7634449      2.280311  
1 1 1 9   3  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   4  0  o 529.4286 5.506946  2795.116       58.10266  2948.424       86.68292  2670.043       78.29495  26.20306       11.01389  
1 1 1 9   4  1  o 505.7470 5.258583  2560.906       53.17442  2590.166       76.30068  2533.275       74.14559  5.602692       10.51717  
1 1 1 9   4  2  o 396.1233 4.113098  1570.276       32.58007  1554.622       45.56417  1586.651       46.60375  -4.034546      8.226196  
1 1 1 9   4  3  o 675.0576 7.066366  4487.431       94.05816  4112.876       121.3705  5050.610       148.8259  -69.07483      14.13273  
1 1 1 9   4  4  o 370.9827 3.871695  1376.774       28.70742  1394.617       41.47224  1360.360       39.77761  4.604004       7.743390  
1 1 1 9   4  5  f 250.7634 2.615431  628.2825       13.10298  613.1920       18.03729  645.1439       19.06632  -6.365524      5.230862  
1 1 1 9   4  6  o 192.5283 2.016283  369.8833       7.748104  357.8593       10.56307  383.8872       11.39963  -6.756042      4.032566  
1 1 1 9   4  7  o 159.2132 2.367575  253.4166       7.534947  258.1788       10.87093  249.0133       10.45338  2.876221       4.735151  
1 1 1 9   4  8  o 257.0422 2.676391  660.6032       13.75147  649.1465       19.07608  672.9977       19.84152  -4.634796      5.352782  
1 1 1 9   4  9  o 129.8932 1.391887  168.7441       3.615909  168.3103       5.102514  169.1818       5.124895  -0.3354187     2.783774  
1 1 1 9   4  10 o 378.3536 3.927588  1431.659       29.69192  1467.259       43.13131  1399.591       40.93608  8.918701       7.855175  
1 1 1 9   4  11 f 569.8589 5.935450  3251.863       67.54578  3347.357       98.78458  3168.011       92.56662  15.62567       11.87090  
1 1 1 9   4  12 o 184.0425 1.937195  338.6083       7.127114  331.8494       9.895018  345.8952       10.27420  -3.813492      3.874389  
1 1 1 9   4  13 o 154.1205 1.629802  237.2594       5.018040  230.8897       6.901751  244.4028       7.308900  -4.381439      3.259603  
1 1 1 9   4  14 o 135.1399 1.439269  181.4659       3.868750  193.7877       5.849924  171.8877       5.157700  8.098450       2.878539  
1 1 1 9   4  15 o 88.25594 1.191857  78.12034       1.996254  78.59043       2.465109  77.22477       3.402504  0.7789841      2.383714  
1 1 1 9   4  16 o 121.2648 1.834682  145.1928       4.401505  134.8706       5.740716  159.9156       6.856087  -10.31564      3.669365  
1 1 1 9   4  17 o 67.25186 1.099390  45.23748       1.478697  45.24670       2.085418  45.22815       2.097017  0.1387787E-01  2.198780  
1 1 1 9   4  18 o 125.3556 1.610779  159.6862       3.960107  142.2542       6.026619  172.9328       5.253517  -12.24516      3.221558  
1 1 1 9   4  19 o 167.7902 1.772302  280.9805       5.933727  271.3752       8.070189  292.2841       8.754656  -6.221130      3.544604  
1 1 1 9   4  20 o 224.5999 2.348434  504.9943       10.54768  500.3109       14.76893  509.8699       15.06893  -2.122345      4.696869  
1 1 1 9   4  21 o 93.48141 1.036034  86.57873       1.922471  93.97924       2.943881  81.07599       2.538506  6.898216       2.072068  
1 1 1 9   4  22 o 181.7496 1.912050  330.6222       6.950278  330.6840       9.835909  330.5607       9.822460  0.3367615E-01  3.824099  
1 1 1 9   4  23 o 269.4296 2.811451  725.9789       15.12396  750.7722       22.17515  704.4161       20.68005  8.564148       5.622903  
1 1 1 9   4  24 o 48.23903 0.6534107 23.12306       0.6279837 24.98894       0.9397808 21.61774       0.8441091 3.493641       1.306821  
1 1 1 9   4  25 o 120.2877 1.298558  144.2836       3.115539  138.6232       4.223280  151.0420       4.614778  -5.156601      2.597116  
1 1 1 9   4  26 o 41.94178 0.6265823 17.42535       0.5229054 19.34348       0.7894965 15.92632       0.6979383 4.073021       1.253165  
1 1 1 9   4  27 o 200.1180 2.102679  400.9858       8.412807  395.3531       11.71573  406.9823       12.08801  -2.895065      4.205359  
1 1 1 9   4  28 o 112.9907 1.229249  127.3810       2.771399  133.0022       4.090981  122.6132       3.767654  4.591011       2.458499  
1 1 1 9   4  29 o 61.12208 0.9501876 36.17070       1.050602  40.19591       2.010647  34.65896       1.232194  4.516529       1.900375  
1 1 1 9   4  30 o 117.3468 1.807091  137.2040       4.221395  145.7213       6.347833  130.4507       5.652409  6.479218       3.614182  
1 1 1 9   4  31 o 88.66309 1.232154  78.12946       2.039589  77.13744       2.467118  80.27128       3.625101  -1.731918      2.464308  
1 1 1 9   4  32 o 129.3393 1.392652  167.3895       3.599305  171.6134       5.223692  163.5715       4.966420  3.097824       2.785304  
1 1 1 9   4  33 o 87.16492 0.9867452 76.04612       1.720159  75.69700       2.423574  76.40053       2.441873  -0.4029541     1.973490  
1 1 1 9   4  34 o 129.9032 1.400932  169.0045       3.637516  172.4736       5.254789  165.8127       5.040358  2.551697       2.801864  
1 1 1 9   4  35 o 93.70071 1.051541  87.92287       1.970596  87.84015       2.789825  88.00523       2.783873  -0.8837128E-01 2.103083  
1 1 1 9   4  36 o 29.42390 0.6329470 8.660632       0.3724289 8.847605       0.5308203 8.479363       0.5226624 0.6254959      1.265894  
1 1 1 9   4  37 o 73.68385 0.8755679 53.88155       1.282550  58.60540       1.948141  50.26795       1.703898  5.646034       1.751136  
1 1 1 9   4  38 o 60.81450 0.7702164 37.01709       0.9367561 37.34992       1.333267  36.69259       1.316439  0.5396729      1.540433  
1 1 1 9   4  39 f 31.90203 0.6497676 10.17987       0.4142552 10.75999       0.5931481 9.627460       0.5788057 1.774366       1.299535  
1 1 1 9   4  40 o 45.46306 0.8791655 20.78823       0.7888660 21.26838       1.041594  20.14233       1.208078  1.248966       1.758331  
1 1 1 9   4  41 f 34.61583 0.6508480 11.97200       0.4501107 12.74925       0.6516507 11.26282       0.6224576 2.145451       1.301696  
1 1 1 9   4  42 o 34.41249 0.6619959 11.81273       0.4546702 10.85285       0.6234297 12.90337       0.6645387 -2.976776      1.323992  
1 1 1 9   4  43 o 14.03511 1.034701  1.994049       0.2856127 1.567486       0.4013643 2.431640       0.4065197 -3.077993      2.069401  
1 1 1 9   4  44 o 74.80119 1.059727  55.55025       1.573676  61.03072       2.410295  51.47830       2.077606  6.345444       2.119453  
1 1 1 9   4  45 o 21.72880 1.094916  4.580552       0.4674531 3.863898       0.5977803 5.708543       0.7499627 -4.223963      2.189833  
1 1 1 9   4  46 o 39.87743 0.8179123 16.14070       0.6319059 15.10390       1.011867  16.80355       0.8090684 -2.153179      1.635825  
1 1 1 9   4  47 o 53.14944 0.7604083 28.28877       0.8078859 27.53181       1.120648  29.10787       1.165732  -1.477787      1.520817  
1 1 1 9   4  48 o 18.50917 0.9281101 3.445836       0.3428118 3.259063       0.4918312 3.622310       0.4780794 -0.9831581     1.856220  
1 1 1 9   4  49 o 24.61235 1.128974  6.082263       0.5340994 6.141286       0.8895461 6.048990       0.6678861 0.1450939      2.257948  
1 1 1 9   4  50 o 49.32034 0.9240261 24.56688       0.8680084 24.89181       1.078455  23.96923       1.462622  0.9970741      1.848052  
1 1 1 9   4  51 o 16.58519 1.122148  2.775169       0.3638831 3.588812       0.5309961 2.054753       0.4996502 4.618273       2.244297  
1 1 1 9   4  52 o 47.50328 0.7677814 22.59463       0.7286889 21.47174       1.004468  23.84207       1.058714  -2.486526      1.535563  
1 1 1 9   4  53 o 17.38303 1.074261  3.037641       0.3725785 2.753908       0.5155885 3.347727       0.5390022 -1.702459      2.148521  
1 1 1 9   4  54 o 12.72117 1.424642  1.662108       0.3522481 1.441663       0.4892779 1.899310       0.5075316 -1.967898      2.849284  
1 1 1 9   4  55 o 49.39036 0.7867634 24.47734       0.7767686 25.30475       1.120435  23.71166       1.077837  1.604305       1.573527  
1 1 1 9   4  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   5  0  o 366.3632 5.385900  1344.265       39.46066  1352.197       56.23159  1336.569       55.38952  2.124084       10.77180  
1 1 1 9   5  1  f 540.8606 7.961783  2930.364       86.00178  3029.644       125.7273  2843.062       117.8995  17.12616       15.92357  
1 1 1 9   5  2  o 297.4587 4.375788  885.6259       26.02886  893.7818       37.17521  877.7823       36.45605  2.683136       8.751575  
1 1 1 9   5  3  f 290.5131 4.309947  844.5199       25.03348  857.3669       35.96719  832.4490       34.86395  4.279144       8.619894  
1 1 1 9   5  4  f 463.8576 6.838360  2090.881       61.69664  1893.310       77.25120  2438.845       102.5208  -58.45370      13.67672  
1 1 1 9   5  5  o 174.4731 1.846966  301.8362       6.391946  324.2508       9.812102  285.3118       8.424817  11.15367       3.693932  
1 1 1 9   5  6  o 204.9097 2.144562  418.5561       8.763247  402.2748       11.86354  438.1078       13.00056  -8.738235      4.289124  
1 1 1 9   5  7  o 362.3329 3.762035  1314.060       27.26169  1318.587       38.69308  1309.597       38.41611  1.238220       7.524069  
1 1 1 9   5  8  o 412.3090 4.290111  1689.468       35.15650  1595.404       46.69822  1812.529       53.41324  -26.25726      8.580222  
1 1 1 9   5  9  o 473.4601 4.926343  2233.219       46.43574  2122.017       62.20264  2373.206       69.79051  -26.42480      9.852687  
1 1 1 9   5  10 f 198.7847 2.081301  395.0478       8.270161  388.1454       11.47269  402.5143       11.93240  -3.611389      4.162601  
1 1 1 9   5  11 o 243.9273 2.548522  595.1604       12.42965  587.2643       17.33507  603.5156       17.83182  -3.327026      5.097044  
1 1 1 9   5  12 f 61.57156 0.7392190 37.88575       0.9098225 38.71143       1.312648  37.12232       1.262201  1.290318       1.478438  
1 1 1 9   5  13 o 50.05325 0.6476051 25.03408       0.6480172 25.78565       0.9330924 24.33387       0.9006382 1.450142       1.295210  
1 1 1 9   5  14 o 116.5656 1.259472  135.6100       2.930247  140.2862       4.310049  131.5910       3.995764  3.727913       2.518945  
1 1 1 9   5  15 f 129.6365 1.385501  168.0120       3.590774  165.0667       4.992783  171.1676       5.167991  -2.351837      2.771002  
1 1 1 9   5  16 o 202.0994 2.117695  408.7388       8.559691  408.2871       12.09651  409.1917       12.11397  -0.2236023     4.235390  
1 1 1 9   5  17 o 105.7419 1.151023  111.1892       2.422813  118.3230       3.644806  105.5414       3.243029  6.040718       2.302046  
1 1 1 9   5  18 o 62.75611 1.554056  39.39343       1.950531  39.39343       1.950531  ?              ?         ?              ?         
1 1 1 9   5  19 o 138.9875 2.087514  193.1643       5.797559  188.8558       7.998805  197.9327       8.414992  -3.258347      4.175028  
1 1 1 9   5  20 o 67.10696 1.104331  43.54358       1.446255  38.67585       1.819327  51.90084       2.383852  -9.848793      2.208662  
1 1 1 9   5  21 o 84.55449 1.167765  69.90109       1.816719  75.61554       3.356464  67.53331       2.160561  4.768059       2.335531  
1 1 1 9   5  22 o 274.5705 2.863771  755.4492       15.72614  755.3410       22.24105  755.5576       22.23919  -0.3948975E-01 5.727542  
1 1 1 9   5  23 o 118.4357 1.277412  140.3170       3.025564  141.3555       4.312735  139.3106       4.245643  0.8624725      2.554825  
1 1 1 9   5  24 o 60.65094 0.7476361 36.64180       0.9045504 34.80209       1.226474  38.83598       1.339431  -3.324612      1.495272  
1 1 1 9   5  25 f 184.9958 1.947073  342.3498       7.198807  335.3664       9.956604  349.9992       10.42053  -3.944794      3.894146  
1 1 1 9   5  26 o 37.13278 0.6167278 13.70616       0.4566177 12.57290       0.6184939 15.06385       0.6769708 -3.353668      1.233456  
1 1 1 9   5  27 o 55.86005 0.9562455 30.20153       1.015593  34.43359       1.778857  28.15498       1.237016  5.612404       1.912491  
1 1 1 9   5  28 o 168.4395 2.528191  284.5488       8.516818  285.2093       12.08307  283.8967       12.00650  0.3864899      5.056382  
1 1 1 9   5  29 o 169.8625 2.202471  289.7396       7.069180  290.6564       8.684494  287.9391       12.17010  0.9459381      4.404943  
1 1 1 9   5  30 f 127.1964 1.369908  161.9859       3.484948  161.9274       4.927827  162.0444       4.929093  -0.4593658E-01 2.739816  
1 1 1 9   5  31 o 46.12408 0.6567262 21.16730       0.6040709 22.84872       0.8966019 19.76966       0.8174453 3.336399       1.313452  
1 1 1 9   5  32 o 47.86507 0.6668706 22.88766       0.6377993 23.64513       0.9267730 22.20615       0.8790842 1.502132       1.333741  
1 1 1 9   5  33 o 39.09054 0.6289425 15.26152       0.4913054 15.97437       0.7121737 14.61419       0.6786588 1.739044       1.257885  
1 1 1 9   5  34 o 60.47172 0.7599342 36.40720       0.9161344 34.36411       1.236452  38.89413       1.364162  -3.741390      1.519868  
1 1 1 9   5  35 o 26.59547 0.6466149 7.070165       0.3436564 6.676929       0.4785638 7.488840       0.4938012 -1.525953      1.293230  
1 1 1 9   5  36 o 82.20257 0.9477523 67.37202       1.553241  71.17004       2.310428  64.23993       2.098118  4.204956       1.895505  
1 1 1 9   5  37 o 103.1480 1.143595  106.6057       2.359112  105.9969       3.319808  107.2267       3.353017  -0.5940781     2.287190  
1 1 1 9   5  38 o 68.99223 0.8383365 47.39125       1.152436  44.73740       1.550087  50.67096       1.723205  -4.291161      1.676673  
1 1 1 9   5  39 o 38.67361 0.6570034 14.94597       0.5077366 15.54247       0.7369279 14.40692       0.7005487 1.466442       1.314007  
1 1 1 9   5  40 o 76.47993 0.9064289 58.54218       1.385510  59.96157       2.005066  57.24510       1.916732  1.769844       1.812858  
1 1 1 9   5  41 o 29.53854 0.6697376 8.706391       0.3946783 7.891262       0.5427771 9.620948       0.5749283 -2.926008      1.339475  
1 1 1 9   5  42 o 58.15063 0.7679172 33.72850       0.8906604 35.75104       1.320513  32.04047       1.206379  3.181877       1.535834  
1 1 1 9   5  43 o 48.60707 0.7128217 23.45096       0.6895810 25.89103       1.039616  21.53399       0.9214686 4.473007       1.425643  
1 1 1 9   5  44 o 29.22585 0.7123665 8.535909       0.4159070 9.053909       0.6049379 8.071575       0.5727443 1.677938       1.424733  
1 1 1 9   5  45 o 71.27553 0.8806989 50.94429       1.255443  50.95315       1.773853  50.93539       1.777081  0.1282501E-01  1.761398  
1 1 1 9   5  46 o 55.69315 0.9517569 30.85852       0.9985076 30.34475       1.217032  31.91655       1.746479  -1.343445      1.903514  
1 1 1 9   5  47 o 45.92401 1.244458  21.18157       1.084855  21.35982       1.856258  21.08911       1.336944  0.2021294      2.488916  
1 1 1 9   5  48 o 35.49457 1.064696  12.67342       0.7521563 12.52502       1.116568  12.79672       1.017711  -0.3988380     2.129393  
1 1 1 9   5  49 o 55.20746 0.7831931 30.57016       0.8647503 30.36548       1.219610  30.77708       1.226301  -0.3718643     1.566386  
1 1 1 9   5  50 o 48.54324 0.7548489 23.56542       0.7317924 22.34229       1.002988  24.95769       1.070089  -2.684895      1.509698  
1 1 1 9   5  51 o 51.11738 0.7740026 26.13087       0.7898152 24.85844       1.077351  27.60933       1.161303  -2.678139      1.548005  
1 1 1 9   5  52 o 41.49414 0.7568611 17.24809       0.6276072 16.47145       0.8680707 18.09865       0.9084464 -1.954430      1.513722  
1 1 1 9   5  53 o 32.26087 0.7733480 10.44380       0.4989097 10.28288       0.6986012 10.61129       0.7127411 -0.5065956     1.546696  
1 1 1 9   5  54 o 36.34919 0.7676823 13.26193       0.5576930 13.95924       0.7953112 12.58734       0.7822453 1.884750       1.535365  
1 1 1 9   5  55 o 10.02435 1.631201  1.013594       0.3388407 0.5679963      0.4562926 1.561410       0.5059285 -4.762380      3.262401  
1 1 1 9   5  56 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   6  0  f 246.2448 3.633744  604.7950       17.84407  581.9237       24.16292  632.2309       26.46450  -10.19821      7.267488  
1 1 1 9   6  1  o 196.4901 2.914635  385.1006       11.42418  371.0717       15.50246  401.7736       16.90036  -7.804398      5.829269  
1 1 1 9   6  2  o 650.8999 9.572260  4243.492       124.2036  4078.333       167.7622  4443.831       184.7673  -27.74432      19.14452  
1 1 1 9   6  3  o 451.3226 6.625700  2041.039       59.77689  2007.075       82.98951  2077.659       86.17503  -7.775543      13.25140  
1 1 1 9   6  4  o 200.8269 2.978094  403.4922       11.96066  406.7025       17.04637  400.3791       16.78648  1.572632       5.956187  
1 1 1 9   6  5  o 177.8114 1.877198  308.1802       6.531510  280.1726       8.273990  354.4942       10.63979  -20.88879      3.754396  
1 1 1 9   6  6  o 468.4228 4.879237  2177.446       45.36616  2042.887       59.90312  2358.413       69.46946  -33.56546      9.758473  
1 1 1 9   6  7  o 278.7995 2.907175  775.0182       16.15999  745.0322       21.84993  811.2255       24.00981  -11.85474      5.814349  
1 1 1 9   6  8  o 54.08462 0.7279328 29.14206       0.7739627 29.84377       1.218515  28.66751       1.002058  1.086998       1.455866  
1 1 1 9   6  9  o 479.3739 4.988294  2290.781       47.61377  2182.572       63.84302  2426.401       71.47321  -25.31735      9.976587  
1 1 1 9   6  10 o 196.8130 2.061265  386.8204       8.101425  375.7802       11.09820  399.4142       11.85333  -5.999023      4.122530  
1 1 1 9   6  11 f 297.1768 3.091354  883.9214       18.37193  890.7397       26.19279  877.3185       25.77590  2.253387       6.182708  
1 1 1 9   6  12 o 193.0486 2.023570  372.8542       7.812935  372.5123       11.03804  373.1976       11.06031  -0.1773224     4.047141  
1 1 1 9   6  13 o 283.9656 2.957082  807.1785       16.79217  813.6301       23.96932  800.9601       23.53213  2.224945       5.914164  
1 1 1 9   6  14 o 87.76145 0.9833359 76.96145       1.724269  78.52296       2.504459  75.55427       2.377464  1.690704       1.966672  
1 1 1 9   6  15 o 331.4568 3.447357  1100.694       22.85268  1104.511       32.42306  1096.925       32.21509  1.140350       6.894715  
1 1 1 9   6  16 o 113.2829 1.229814  125.9543       2.743638  141.8642       4.362163  115.5410       3.529087  11.61182       2.459627  
1 1 1 9   6  17 o 228.3360 2.386239  521.9620       10.89686  519.4789       15.33022  524.4979       15.49203  -1.096237      4.772477  
1 1 1 9   6  18 o 37.80807 0.5873085 14.29480       0.4440444 14.61197       0.6305430 13.98274       0.6254355 0.8321114      1.174617  
1 1 1 9   6  19 o 285.9584 2.979805  818.1731       17.02087  797.2776       23.38585  841.7108       24.82045  -7.735413      5.959610  
1 1 1 9   6  20 o 251.1314 3.229959  626.5645       15.08310  617.2214       18.17248  647.2532       27.04191  -5.755997      6.459918  
1 1 1 9   6  21 o 215.6290 3.195536  462.2754       13.68352  435.8835       18.10991  497.3892       20.88914  -14.18468      6.391072  
1 1 1 9   6  22 o 116.1647 1.766700  135.0260       4.103887  133.7006       5.741624  136.4104       5.867982  -1.164307      3.533401  
1 1 1 9   6  23 o 114.7841 1.749985  129.4482       3.958020  145.6656       6.279287  118.7570       5.098388  11.70076       3.499971  
1 1 1 9   6  24 o 89.94532 1.246014  81.56064       2.123713  78.97810       3.611432  82.92577       2.625685  -2.207565      2.492028  
1 1 1 9   6  25 o 55.62270 1.041736  30.54378       1.150696  27.53299       1.521537  34.56670       1.758784  -6.319805      2.083473  
1 1 1 9   6  26 o 49.21799 0.9957118 23.66940       0.9682384 20.54547       1.257112  28.22513       1.518109  -7.798210      1.991424  
1 1 1 9   6  27 o 206.4570 2.669644  425.3961       10.30283  421.4761       12.48817  433.7506       18.23116  -2.736450      5.339287  
1 1 1 9   6  28 o 61.70595 0.7639797 37.75692       0.9375378 35.13035       1.247685  41.16338       1.420895  -4.886242      1.527959  
1 1 1 9   6  29 o 54.65937 0.7128985 29.88090       0.7792529 29.56388       1.092569  30.20914       1.111741  -0.5899696     1.425797  
1 1 1 9   6  30 o 160.4916 1.705107  256.6528       5.447774  244.0819       7.295568  272.4969       8.190488  -8.815216      3.410214  
1 1 1 9   6  31 o 70.40958 0.8382186 49.60054       1.180308  49.25755       1.658736  49.95234       1.679881  -0.4928589     1.676437  
1 1 1 9   6  32 o 34.82263 0.6166695 11.97678       0.4267495 10.58345       0.5679708 13.78313       0.6466934 -4.592625      1.233339  
1 1 1 9   6  33 o 67.21369 0.8118822 45.05975       1.088850  47.32555       1.607983  43.14098       1.479731  3.108902       1.623764  
1 1 1 9   6  34 o 77.30226 0.9024665 59.70906       1.393537  57.72742       1.913735  61.94585       2.033204  -2.723694      1.804933  
1 1 1 9   6  35 o 34.50224 0.6298802 11.80663       0.4327452 10.63824       0.5817107 13.25451       0.6475599 -3.789452      1.259760  
1 1 1 9   6  36 f 43.21473 0.6549417 18.66763       0.5657499 18.08447       0.7844614 19.29970       0.8166939 -1.404922      1.309883  
1 1 1 9   6  37 o 38.27901 0.6378294 14.62934       0.4877314 15.59192       0.7083056 13.76138       0.6725920 2.389767       1.275659  
1 1 1 9   6  38 o 45.10957 0.6736665 20.36555       0.6077492 20.42724       0.8641168 20.30515       0.8549309 0.1349144      1.347333  
1 1 1 9   6  39 o 81.29564 0.9474499 66.20722       1.540467  66.01698       2.176239  66.39828       2.180867  -0.2342072     1.894900  
1 1 1 9   6  40 o 8.969405 1.382475  0.8228771      0.2483240 0.5553451      0.3426278 1.118904       0.3604131 -3.181790      2.764951  
1 1 1 9   6  41 o 70.25081 0.8575657 49.22387       1.201274  52.20037       1.785189  46.76076       1.623952  3.859261       1.715131  
1 1 1 9   6  42 o 27.86630 0.6927934 7.747458       0.3853081 7.120838       0.5281891 8.460211       0.5633222 -2.400717      1.385587  
1 1 1 9   6  43 o 74.88882 0.9018982 56.19397       1.350269  57.16926       1.943856  55.28458       1.877034  1.251793       1.803796  
1 1 1 9   6  44 o 51.13998 0.7322922 26.16583       0.7484276 27.09748       1.084397  25.31836       1.034255  1.735073       1.464584  
1 1 1 9   6  45 o 41.94713 0.8678259 17.91008       0.6928777 18.55897       0.8656369 16.75307       1.155889  2.185104       1.735652  
1 1 1 9   6  46 o 72.49598 1.293970  52.79448       1.871773  54.35178       2.758276  51.46521       2.548344  1.953552       2.587941  
1 1 1 9   6  47 o 11.26119 1.648719  1.349459       0.3456602 1.437324       0.4246725 1.176977       0.5950000 1.377408       3.297438  
1 1 1 9   6  48 o 42.01241 0.9803177 17.70028       0.8211782 19.71098       1.185976  15.84851       1.138143  4.589314       1.960635  
1 1 1 9   6  49 o 29.65645 0.8552854 8.521962       0.4920842 10.06975       0.8248997 7.666884       0.6131244 4.019207       1.710571  
1 1 1 9   6  50 o 31.86443 0.7558527 10.16085       0.4809879 10.96401       0.6970600 9.430868       0.6645437 2.401291       1.511705  
1 1 1 9   6  51 o 30.54450 0.7728796 9.307248       0.4707812 8.524948       0.6390032 10.23598       0.6962440 -2.792114      1.545759  
1 1 1 9   6  52 o 45.59451 0.7646129 20.86244       0.6972189 20.99527       0.9910558 20.73228       0.9810531 0.2867470      1.529226  
1 1 1 9   6  53 o 32.52013 0.7749892 10.61537       0.5040518 10.66705       0.7139741 10.56401       0.7117053 0.1580315      1.549978  
1 1 1 9   6  54 o 36.55679 0.7671226 13.40976       0.5606479 13.70577       0.8069072 13.13348       0.7795520 0.7776375      1.534245  
1 1 1 9   6  55 f 5.928048 1.796819  -0.2035452E-01 0.3836322 0.1490542      0.4889669 -0.2916111     0.6187307 0.4339175      3.593637  
1 1 1 9   7  0  o 717.6200 10.57368  5127.663       150.2960  4802.625       196.9438  5580.946       232.5730  -53.42889      21.14735  
1 1 1 9   7  1  o 152.3519 2.287935  231.2821       6.947734  242.6751       10.34732  221.9286       9.375557  6.803925       4.575871  
1 1 1 9   7  2  o 320.5914 4.714842  1029.228       30.23041  1026.588       42.63086  1031.898       42.87470  -0.8255920     9.429684  
1 1 1 9   7  3  o 76.24979 1.247123  57.80941       1.894781  61.99281       2.832897  54.42298       2.548810  4.963005       2.494246  
1 1 1 9   7  4  o 644.2025 9.521703  4152.507       122.0182  4395.471       184.2095  3962.567       162.8732  33.09967       19.04341  
1 1 1 9   7  5  o 343.9782 4.382265  1187.406       28.58073  1192.881       35.24779  1176.897       48.83496  2.475708       8.764530  
1 1 1 9   7  6  o 245.1802 2.557254  601.2691       12.53663  594.3014       17.49795  608.6181       17.97044  -2.916306      5.114509  
1 1 1 9   7  7  o 480.4339 5.506760  2243.443       50.47243  2545.329       87.65905  2093.725       61.73213  46.58337       11.01352  
1 1 1 9   7  8  o 172.2163 1.814401  293.9216       6.200073  276.2499       8.177076  317.8213       9.509437  -12.06190      3.628802  
1 1 1 9   7  9  o 242.9523 2.537649  590.5597       12.32925  595.0227       17.58885  586.2483       17.28743  1.803162       5.075298  
1 1 1 9   7  10 o 226.5506 2.371095  512.8551       10.73030  527.1312       15.64317  500.1690       14.74638  5.942490       4.742190  
1 1 1 9   7  11 o 159.6213 1.685164  254.8141       5.378675  251.9768       7.516534  257.7915       7.699971  -1.820084      3.370327  
1 1 1 9   7  12 o 87.66331 0.9796808 76.10011       1.704892  71.03063       2.251360  82.91577       2.610463  -6.777206      1.959362  
1 1 1 9   7  13 o 149.2622 1.582482  220.8668       4.688300  238.6219       7.178785  207.6621       6.190880  10.36290       3.164964  
1 1 1 9   7  14 o 222.1257 2.322122  493.7415       10.31459  489.2853       14.44230  498.3810       14.73621  -2.043549      4.644243  
1 1 1 9   7  15 o 95.11602 1.127614  90.53551       2.140767  98.02409       3.049513  83.25932       3.005960  7.761139       2.255229  
1 1 1 9   7  16 o 84.05365 0.9433246 70.65946       1.585726  70.31299       2.229985  71.01385       2.255340  -0.4167404     1.886649  
1 1 1 9   7  17 f 171.7078 1.814033  293.6707       6.204924  280.5257       8.341882  309.9513       9.283648  -8.554871      3.628067  
1 1 1 9   7  18 o 171.0076 1.803302  292.1543       6.158683  283.9810       8.442828  301.4494       9.003576  -5.099457      3.606603  
1 1 1 9   7  19 o 35.57883 0.8951099 12.66017       0.6368544 12.37677       0.8971636 12.94800       0.9041735 -0.8027115     1.790220  
1 1 1 9   7  20 o 231.0834 2.417518  534.5363       11.16918  527.1263       15.55514  542.4227       16.04757  -3.299561      4.835037  
1 1 1 9   7  21 f 130.4985 1.399000  170.3678       3.651033  169.2089       5.123537  171.5634       5.204086  -0.9010620     2.798000  
1 1 1 9   7  22 o 113.4071 1.526300  127.0683       3.198059  132.9199       5.819764  124.5368       3.827798  3.666985       3.052601  
1 1 1 9   7  23 o 123.9779 2.689797  153.8717       6.669507  153.8717       6.669507  ?              ?         ?              ?         
1 1 1 9   7  24 o 100.8963 3.108638  101.9583       6.273000  101.9583       6.273000  ?              ?         ?              ?         
1 1 1 9   7  25 o 115.8785 1.767582  134.2204       4.091162  130.6118       5.616735  138.2986       5.971060  -3.308884      3.535163  
1 1 1 9   7  26 o 91.86821 1.256958  83.76437       2.169480  86.45404       3.813770  82.47761       2.637863  2.142433       2.513916  
1 1 1 9   7  27 o 92.14674 1.032557  84.03240       1.887382  78.21823       2.484608  91.96452       2.902075  -7.451828      2.065114  
1 1 1 9   7  28 o 209.0345 2.196444  438.1193       9.182565  437.0356       12.95273  439.2143       13.01974  -0.5182495     4.392888  
1 1 1 9   7  29 o 31.96915 0.6249320 10.07563       0.3965012 11.92969       0.6011208 8.647720       0.5275331 5.131975       1.249864  
1 1 1 9   7  30 f 38.68729 0.6273599 14.97150       0.4854155 14.91743       0.6855975 15.02584       0.6873683 -0.1400719     1.254720  
1 1 1 9   7  31 o 93.15256 1.043362  86.26437       1.933743  81.37444       2.580664  92.52546       2.920146  -5.973900      2.086724  
1 1 1 9   7  32 f 54.81381 0.7153863 30.05028       0.7841007 30.57235       1.122867  29.55344       1.095414  0.9287491      1.430773  
1 1 1 9   7  33 o 70.38900 0.8410501 49.30396       1.179268  52.68136       1.766565  46.58913       1.583831  4.320984       1.682100  
1 1 1 9   7  34 o 54.68631 0.7182810 29.90894       0.7853500 29.25859       1.093825  30.60091       1.128282  -1.226158      1.436562  
1 1 1 9   7  35 o 69.23852 0.8377838 47.98283       1.160065  48.42345       1.652003  47.55419       1.629389  0.6267700      1.675568  
1 1 1 9   7  36 o 76.48967 0.8979885 58.49361       1.372383  56.73947       1.890346  60.44855       1.995614  -2.419411      1.795977  
1 1 1 9   7  37 o 26.61997 0.6592244 7.077347       0.3505386 6.617635       0.4846448 7.581689       0.5076261 -1.809864      1.318449  
1 1 1 9   7  38 o 56.70097 0.8871906 32.73670       0.9840602 29.20174       1.510400  35.34397       1.297156  -5.429432      1.774381  
1 1 1 9   7  39 o 85.54623 0.9863268 73.26842       1.686443  74.95730       2.438432  71.71991       2.334915  1.884682       1.972654  
1 1 1 9   7  40 o 6.265428 1.485822  0.3013723      0.2489407 0.6292114      0.3453183 -0.5336005E-01 0.3592027 3.052368       2.971643  
1 1 1 9   7  41 o 37.94241 0.6699692 14.36919       0.5076194 13.47287       0.6963003 15.38594       0.7416039 -2.518147      1.339938  
1 1 1 9   7  42 o 52.45073 0.7363165 27.54705       0.7722597 27.16672       1.079358  27.94594       1.105387  -0.7408028     1.472633  
1 1 1 9   7  43 o 27.76392 0.7077180 7.689402       0.3921709 7.202415       0.5345772 8.256918       0.5770859 -1.895664      1.415436  
1 1 1 9   7  44 f 30.64512 0.9397566 9.272668       0.5184271 9.759539       0.9877509 9.087553       0.6090608 1.053112       1.879513  
1 1 1 9   7  45 o 20.04681 1.367268  4.014741       0.5448579 4.335649       0.8275160 3.769150       0.7239234 1.393843       2.734537  
1 1 1 9   7  46 f 45.97906 0.7267293 21.17562       0.6681135 21.61891       0.9582729 20.75633       0.9319857 0.9353065      1.453459  
1 1 1 9   7  47 o 33.89350 0.7252735 11.44146       0.4901069 10.45436       0.6640366 12.62263       0.7263836 -3.191963      1.450547  
1 1 1 9   7  48 o 20.39553 0.8926629 4.186169       0.3631678 4.386608       0.5040526 3.969795       0.5237045 1.024784       1.785326  
1 1 1 9   7  49 f 31.98456 0.9049801 10.44281       0.5506057 10.86217       0.6882709 9.697371       0.9176437 1.856787       1.809960  
1 1 1 9   7  50 o 17.12537 1.379493  3.101592       0.4473921 3.542622       0.5761513 2.431766       0.7100400 3.276467       2.758986  
1 1 1 9   7  51 o 35.00444 0.7598928 12.29059       0.5318848 12.64450       0.7576598 11.94671       0.7468543 0.9950714      1.519786  
1 1 1 9   7  52 o 19.56888 0.9872976 3.879079       0.3832764 4.384785       0.5373043 3.355164       0.5468921 2.632860       1.974595  
1 1 1 9   7  53 f 63.92661 0.8630815 41.06107       1.103451  40.93130       1.554188  41.19297       1.566920  -0.2021561     1.726163  
1 1 1 9   7  54 o 9.510130 1.652176  0.9690439      0.3533081 1.508127       0.4738114 0.2939005      0.5302438 5.377607       3.304353  
1 1 1 9   7  55 o 27.42831 2.541157  0.000000       0.000000  ?              ?         7.693315       1.393993  ?              ?         
1 1 1 9   8  0  o 224.6936 3.324637  504.9101       14.93168  514.8494       21.56400  495.7548       20.69592  4.241989       6.649273  
1 1 1 9   8  1  f 341.2885 5.020962  1166.152       34.25383  1187.534       49.41043  1146.367       47.52881  6.007446       10.04192  
1 1 1 9   8  2  o 251.2653 3.707401  631.4902       18.61851  644.7341       26.92250  619.3501       25.77599  5.040222       7.414801  
1 1 1 9   8  3  o 303.1849 4.462856  920.4956       27.05865  913.4108       37.94376  927.8268       38.59805  -2.369537      8.925712  
1 1 1 9   8  4  o 94.44002 1.480946  89.19937       2.797089  88.66096       3.933426  89.75014       3.978318  -0.5764618     2.961892  
1 1 1 9   8  5  o 377.0408 3.935824  1419.406       29.60515  1369.982       40.20852  1477.925       43.75154  -14.27322      7.871648  
1 1 1 9   8  6  o 201.4314 2.111212  405.7762       8.502793  411.0171       12.20183  400.8288       11.85519  2.526657       4.222425  
1 1 1 9   8  7  o 143.9379 1.645671  207.7404       4.710088  212.3205       6.368674  202.2106       6.997831  3.515381       3.291342  
1 1 1 9   8  8  o 320.5719 3.341182  1026.867       21.38557  1061.501       31.35092  996.7264       29.24619  10.07712       6.682364  
1 1 1 9   8  9  o 266.1298 2.773165  708.8679       14.76036  707.6175       20.83479  710.1278       20.91403  -0.4707642     5.546329  
1 1 1 9   8  10 o 235.4177 2.462878  554.5550       11.59496  560.2537       16.54024  549.0486       16.25887  2.376755       4.925757  
1 1 1 9   8  11 o 313.1434 3.265136  979.5131       20.39782  948.8100       27.71276  1015.812       30.13268  -10.65994      6.530272  
1 1 1 9   8  12 o 165.4714 1.744686  273.1847       5.760707  263.5648       7.835704  284.5004       8.498318  -6.319931      3.489371  
1 1 1 9   8  13 o 163.0871 1.721414  266.0894       5.614552  267.4504       7.985638  264.7589       7.895480  0.8242645      3.442828  
1 1 1 9   8  14 o 100.6099 1.107532  100.9429       2.222607  97.36467       3.014696  105.2039       3.289768  -3.893890      2.215065  
1 1 1 9   8  15 o 161.4302 1.704990  260.7233       5.504192  258.7054       7.719316  262.8105       7.850550  -1.269836      3.409981  
1 1 1 9   8  16 o 254.3130 2.656426  647.5590       13.50698  639.3570       18.82187  656.2677       19.39452  -3.312607      5.312852  
1 1 1 9   8  17 o 240.5757 2.512514  579.5651       12.08858  582.2225       17.18083  576.9595       17.01210  1.090439       5.025027  
1 1 1 9   8  18 o 54.61840 0.6920189 29.78188       0.7550755 30.91599       1.100469  28.77296       1.037948  1.961479       1.384038  
1 1 1 9   8  19 o 211.1361 3.139596  445.1401       13.21474  427.0911       17.85019  467.0283       19.65714  -9.409698      6.279191  
1 1 1 9   8  20 o 92.13811 1.475824  84.30129       2.704462  90.83856       4.094651  79.24266       3.601926  6.286095       2.951648  
1 1 1 9   8  21 o 85.53752 1.392237  72.41663       2.362957  67.32365       3.113698  79.33299       3.628520  -7.013062      2.784473  
1 1 1 9   8  22 o 56.61124 0.9044293 32.57538       0.9680457 33.73184       1.200243  30.42287       1.637487  2.926579       1.808859  
1 1 1 9   8  23 o 140.5458 1.505902  196.0226       4.203081  184.7077       5.562623  211.0780       6.416516  -9.367065      3.011804  
1 1 1 9   8  24 o 138.6511 1.482432  192.1040       4.105892  197.9032       5.985271  186.9490       5.643044  3.944061       2.964864  
1 1 1 9   8  25 o 95.41709 1.064889  90.36658       2.020305  97.55479       3.064243  84.83910       2.687057  6.657471       2.129778  
1 1 1 9   8  26 o 43.14750 0.8534673 18.51104       0.7341333 20.09466       1.092619  17.20773       0.9912148 3.344028       1.706935  
1 1 1 9   8  27 o 144.5321 2.173006  209.3297       6.279418  212.3067       9.016249  206.5256       8.750585  1.989349       4.346011  
1 1 1 9   8  28 o 69.02006 1.063838  46.52907       1.407718  51.60710       2.407960  43.89243       1.735109  5.572922       2.127676  
1 1 1 9   8  29 o 113.6873 1.239423  129.3685       2.817823  127.9807       3.949397  130.8075       4.021591  -1.240944      2.478847  
1 1 1 9   8  30 o 78.03333 0.9033670 60.81502       1.407708  63.01800       2.060594  58.88713       1.927649  2.643181       1.806734  
1 1 1 9   8  31 o 65.64767 0.7983102 43.07766       1.047365  44.23867       1.517152  42.02053       1.447685  1.687546       1.596620  
1 1 1 9   8  32 o 63.31367 0.7830970 39.78631       0.9863223 43.23655       1.491935  37.10761       1.314579  4.834679       1.566194  
1 1 1 9   8  33 o 41.57895 0.6454110 17.22176       0.5355378 18.64286       0.7880017 16.00202       0.7300445 3.174019       1.290822  
1 1 1 9   8  34 o 37.69944 0.6334870 14.18152       0.4769898 15.07079       0.6961206 13.39445       0.6548963 2.222038       1.266974  
1 1 1 9   8  35 o 18.70462 0.7496525 3.498093       0.2799624 3.444761       0.3836086 3.558871       0.4095127 -0.3039970     1.499305  
1 1 1 9   8  36 f 102.0473 1.135479  104.2431       2.315615  101.7811       3.198741  106.9539       3.356501  -2.524368      2.270958  
1 1 1 9   8  37 o 38.85237 0.8695303 14.76844       0.6666962 13.04979       0.8614482 17.33526       1.052771  -5.504013      1.739061  
1 1 1 9   8  38 f 46.59029 0.6908849 21.72661       0.6437367 21.77118       0.9155022 21.68303       0.9053453 0.9411621E-01  1.381770  
1 1 1 9   8  39 o 38.45230 0.6675990 14.79997       0.5133977 14.71270       0.7225021 14.88898       0.7296587 -0.2288437     1.335198  
1 1 1 9   8  40 o 48.56828 0.7078019 23.58264       0.6869730 22.73132       0.9484850 24.52203       0.9963332 -1.840523      1.415604  
1 1 1 9   8  41 o 18.99064 0.8261261 3.640822       0.3112184 4.081286       0.4338843 3.174055       0.4466518 2.389688       1.652252  
1 1 1 9   8  42 o 77.37659 0.9239270 59.92162       1.428236  57.88247       1.964329  62.20870       2.080320  -2.784103      1.847854  
1 1 1 9   8  43 o 78.07555 1.346108  61.25031       2.098976  62.67789       3.064682  59.98903       2.880659  1.692780       2.692216  
1 1 1 9   8  44 o 32.83170 0.7774342 10.93715       0.5022286 11.71978       0.6685409 9.923315       0.7609069 2.745087       1.554868  
1 1 1 9   8  45 o 45.40259 0.9837893 20.63862       0.8596234 20.88285       1.428614  20.50000       1.076267  0.3747520      1.967579  
1 1 1 9   8  46 o 15.73624 1.076816  2.539198       0.3216481 3.575359       0.4659710 1.596141       0.4445434 6.285531       2.153633  
1 1 1 9   8  47 o 60.34957 0.8085543 36.52571       0.9759063 36.41237       1.382094  36.63842       1.378194  -0.1877632     1.617109  
1 1 1 9   8  48 o 63.76241 0.8395129 40.73853       1.069568  42.13525       1.554604  39.48319       1.473822  2.067760       1.679026  
1 1 1 9   8  49 o 36.05157 0.7314685 13.03097       0.5273625 13.28485       0.7493787 12.78187       0.7422783 0.6966591      1.462937  
1 1 1 9   8  50 o 34.38855 0.7448931 11.85042       0.5117190 11.63845       0.7043055 12.08742       0.7447468 -0.6469116     1.489786  
1 1 1 9   8  51 o 8.770826 1.997651  0.7480729      0.3955072 0.6220993      0.5179675 0.9242285      0.6125070 -1.436325      3.995303  
1 1 1 9   8  52 o 48.61327 0.8982185 23.68111       0.8475235 24.04185       1.380560  23.46294       1.073650  0.5350533      1.796437  
1 1 1 9   8  53 o 39.80369 0.7750519 15.89007       0.6166364 15.18711       0.8575688 16.64262       0.8873022 -1.822948      1.550104  
1 1 1 9   8  54 o 60.24234 1.146356  36.58718       1.377899  36.07242       1.879068  37.18592       2.026568  -0.8821411     2.292712  
1 1 1 9   8  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   9  0  o 336.2709 3.495785  1131.814       23.50924  1138.457       33.46329  1125.340       33.03504  1.946198       6.991570  
1 1 1 9   9  1  o 245.7982 2.571327  602.0389       12.59713  632.9037       18.76966  576.7418       16.99265  11.41109       5.142653  
1 1 1 9   9  2  o 171.1670 2.205176  294.9269       7.199801  299.3005       8.962476  286.9688       12.08958  3.622696       4.410351  
1 1 1 9   9  3  o 483.2061 7.105667  2344.548       68.64997  2314.369       95.71323  2376.523       98.51901  -6.368866      14.21133  
1 1 1 9   9  4  f 148.0284 1.571816  218.3379       4.638361  209.4525       6.264824  229.1176       6.900404  -6.639038      3.143632  
1 1 1 9   9  5  o 55.53534 0.6817322 30.82253       0.7569139 30.10818       1.052743  31.58700       1.089056  -1.331337      1.363464  
1 1 1 9   9  6  o 297.4552 3.100283  884.4286       18.42035  862.0708       25.29972  909.6514       26.87192  -7.979584      6.200565  
1 1 1 9   9  7  f 150.7147 1.596572  226.6597       4.802722  219.0491       6.546175  235.5318       7.067943  -5.464798      3.193144  
1 1 1 9   9  8  o 244.0393 2.546523  594.8068       12.40728  615.8035       18.20254  576.5858       16.95671  8.021133       5.093045  
1 1 1 9   9  9  o 134.0110 1.427847  179.3200       3.821337  174.1065       5.236838  185.2575       5.588678  -4.158081      2.855693  
1 1 1 9   9  10 o 104.8408 1.147103  109.4247       2.397192  115.9911       3.572199  104.0449       3.233355  5.695320       2.294207  
1 1 1 9   9  11 o 229.0489 2.393693  523.2523       10.93211  547.8470       16.23471  502.8480       14.78715  9.803787       4.787387  
1 1 1 9   9  12 o 70.04279 0.8207725 48.93217       1.147129  50.94140       1.692539  47.22505       1.560110  2.652252       1.641545  
1 1 1 9   9  13 f 30.61417 0.6243538 9.445792       0.3753749 11.71527       0.5379175 7.291627       0.5240738 7.224766       1.248708  
1 1 1 9   9  14 o 127.0617 1.361682  161.5090       3.460299  161.1643       4.877942  161.8582       4.909415  -0.2727051     2.723364  
1 1 1 9   9  15 o 213.9384 2.241354  457.4796       9.577433  444.7272       13.14322  471.9178       13.98501  -6.339508      4.482709  
1 1 1 9   9  16 f 94.46983 1.290509  89.64646       2.305433  88.14264       3.952905  90.42170       2.838118  -1.217400      2.581017  
1 1 1 9   9  17 o 100.5298 1.577999  100.3335       3.153098  107.9429       4.790467  94.51691       4.188268  6.670143       3.155998  
1 1 1 9   9  18 o 69.85976 1.194713  47.92199       1.648286  54.46056       2.593116  43.48912       2.135123  7.847801       2.389426  
1 1 1 9   9  19 o 187.6499 2.802547  352.4184       10.50736  344.1331       14.47623  361.6435       15.27525  -4.645416      5.605094  
1 1 1 9   9  20 o 335.8186 3.497925  1131.191       23.48817  1118.559       32.80762  1144.474       33.64270  -3.830414      6.995851  
1 1 1 9   9  21 o 131.4243 1.408773  172.8204       3.702875  172.1744       5.217694  173.4758       5.255826  -0.4945526     2.817547  
1 1 1 9   9  22 o 88.03806 0.9954361 76.46731       1.735096  84.88846       2.695258  70.50745       2.267422  8.162750       1.990872  
1 1 1 9   9  23 o 32.06580 0.6164975 10.27167       0.3951418 9.896421       0.5480320 10.67797       0.5702605 -1.218500      1.232995  
1 1 1 9   9  24 o 56.67096 0.7259771 31.84127       0.8183344 29.55230       1.089824  34.80019       1.239091  -4.628624      1.451954  
1 1 1 9   9  25 o 99.00172 1.097852  97.75417       2.168486  102.3642       3.204738  93.86088       2.945092  4.290024       2.195704  
1 1 1 9   9  26 o 68.00864 0.8194926 46.25550       1.114415  45.73030       1.556922  46.80729       1.595841  -0.7912369     1.638985  
1 1 1 9   9  27 o 189.3870 2.000151  359.3498       7.572645  365.7645       10.90751  353.3809       10.52159  3.252808       4.000302  
1 1 1 9   9  28 o 87.44730 1.205151  75.88203       1.976128  74.66930       2.398046  78.44813       3.488273  -2.129059      2.410303  
1 1 1 9   9  29 o 98.55674 1.529072  97.27169       3.012832  99.04347       4.334646  95.61574       4.190581  1.732529       3.058144  
1 1 1 9   9  30 o 60.38384 1.033548  36.46792       1.247577  37.47695       1.799240  35.53356       1.731397  1.606865       2.067096  
1 1 1 9   9  31 o 45.31332 0.7681104 20.70604       0.6730298 19.90193       1.091502  21.19931       0.8548910 -1.438168      1.536221  
1 1 1 9   9  32 o 73.67290 0.8703135 53.75703       1.272612  58.85501       1.951171  49.98272       1.678861  6.010963       1.740627  
1 1 1 9   9  33 o 75.94344 0.8903847 57.51804       1.348573  60.51691       2.000007  55.01783       1.826168  3.613266       1.780769  
1 1 1 9   9  34 o 169.9145 1.806473  289.8985       6.135514  295.3897       8.854901  284.8276       8.509270  3.075836       3.612946  
1 1 1 9   9  35 o 62.81831 0.7872048 39.41821       0.9878339 37.87508       1.356985  41.15784       1.440795  -2.609280      1.574410  
1 1 1 9   9  36 o 126.0481 1.928608  159.7842       4.859004  163.4553       7.021084  156.4097       6.731403  2.760361       3.857217  
1 1 1 9   9  37 f 82.06918 0.9544464 67.43032       1.565812  68.82333       2.258440  66.14094       2.172826  1.628487       1.908893  
1 1 1 9   9  38 o 71.10378 0.8624290 50.15944       1.218419  54.73128       1.856770  46.70200       1.614690  5.630569       1.724858  
1 1 1 9   9  39 o 100.0892 1.123086  100.4773       2.248143  100.0092       3.168793  100.9516       3.190022  -0.4687729     2.246171  
1 1 1 9   9  40 o 83.20802 0.9715941 68.98540       1.609586  73.76141       2.419644  65.19438       2.155740  5.123558       1.943188  
1 1 1 9   9  41 o 10.07166 2.099643  1.023300       0.4457719 1.177727       0.7007022 0.9183057      0.5777678 1.194626       4.199286  
1 1 1 9   9  42 o 114.4239 1.576141  129.6403       3.312611  126.2211       3.942404  137.8519       6.109608  -4.703125      3.152282  
1 1 1 9   9  43 o 85.23235 0.9977214 72.89211       1.700680  72.21709       2.390831  73.58351       2.419677  -0.7980270     1.995443  
1 1 1 9   9  44 o 55.90083 0.7700502 31.31946       0.8609265 31.29818       1.215923  31.34085       1.219151  -0.3783798E-01 1.540100  
1 1 1 9   9  45 o 37.24973 0.7007706 13.89266       0.5218282 13.32343       0.7280846 14.49392       0.7482831 -1.569141      1.401541  
1 1 1 9   9  46 o 30.41969 0.7211341 9.274352       0.4386974 9.356983       0.6183589 9.190616       0.6224852 0.2738895      1.442268  
1 1 1 9   9  47 o 64.77145 0.8414663 42.09367       1.090058  42.08469       1.543104  42.10262       1.540049  -0.1427460E-01 1.682933  
1 1 1 9   9  48 o 44.47561 0.7354090 19.81660       0.6538507 20.43555       0.9422427 19.24174       0.9080726 1.337662       1.470818  
1 1 1 9   9  49 o 29.79304 0.7663499 8.900908       0.4565145 8.803138       0.6369228 9.004200       0.6546606 -0.3349304     1.532700  
1 1 1 9   9  50 o 9.652123 1.630395  0.9413996      0.3178698 0.5805159      0.4203040 1.423639       0.4858598 -4.043276      3.260791  
1 1 1 9   9  51 f 34.94565 0.7553924 12.21603       0.5270628 11.37047       0.7231082 13.17443       0.7698436 -2.573223      1.510785  
1 1 1 9   9  52 o 50.46535 0.9977946 25.00357       0.9771354 23.22086       1.222479  28.15761       1.626056  -4.800900      1.995589  
1 1 1 9   9  53 o 41.64800 1.008453  17.46115       0.8374522 17.36986       1.139462  17.56838       1.234967  -0.2145195     2.016906  
1 1 1 9   9  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   10 0  f 361.1253 3.752072  1301.711       27.02348  1253.669       36.61843  1359.166       40.04496  -14.56293      7.504144  
1 1 1 9   10 1  o 358.3392 3.724928  1285.618       26.69177  1298.085       38.14399  1273.655       37.36383  3.398590       7.449856  
1 1 1 9   10 2  o 457.7492 4.758702  2098.750       43.53973  2059.406       60.33552  2141.500       62.89302  -8.922577      9.517404  
1 1 1 9   10 3  o 284.7849 2.967772  810.2919       16.87631  837.1055       24.71895  786.8818       23.09696  8.799377       5.935545  
1 1 1 9   10 4  o 395.0937 4.105210  1563.996       32.43876  1566.199       45.94148  1561.806       45.80947  0.5536194      8.210420  
1 1 1 9   10 5  o 123.6726 1.327732  151.8729       3.265182  162.9691       4.947520  143.3105       4.346055  7.944397       2.655465  
1 1 1 9   10 6  o 230.3502 2.407393  530.9597       11.09004  534.9570       15.80026  527.0782       15.56967  1.707611       4.814785  
1 1 1 9   10 7  o 53.87912 0.6753706 28.71333       0.7228377 31.76719       1.103587  26.41883       0.9565923 4.962818       1.350741  
1 1 1 9   10 8  o 53.72473 0.6721647 28.76551       0.7206094 27.44660       0.9797366 30.31991       1.063614  -2.673817      1.344329  
1 1 1 9   10 9  f 178.9672 1.883634  320.1706       6.736901  313.3304       9.309301  327.6916       9.761620  -4.007507      3.767268  
1 1 1 9   10 10 o 103.4700 1.129189  106.4613       2.325867  101.0458       3.113791  113.2967       3.498215  -5.917427      2.258378  
1 1 1 9   10 11 o 89.98669 1.083815  81.14659       1.935267  82.26385       2.589744  79.73365       2.912333  1.408180       2.167630  
1 1 1 9   10 12 o 152.2055 1.612228  231.4375       4.901629  238.4897       7.150351  225.1856       6.732414  4.365494       3.224455  
1 1 1 9   10 13 o 86.74789 1.045517  75.47060       1.809075  70.54527       2.592010  80.14864       2.526100  -5.535759      2.091035  
1 1 1 9   10 14 o 70.29333 1.194537  48.06520       1.648382  42.75968       2.100118  56.57854       2.660299  -9.824036      2.389074  
1 1 1 9   10 15 o 143.9163 2.178862  207.2906       6.270277  209.5128       8.972771  205.1697       8.765869  1.505402       4.357724  
1 1 1 9   10 16 o 198.5313 2.702451  393.2529       10.44819  388.1266       13.29377  401.5361       16.89842  -3.299210      5.404902  
1 1 1 9   10 17 o 294.2051 3.067375  866.7075       18.03287  887.2433       26.16520  848.1286       24.88742  6.613342       6.134750  
1 1 1 9   10 18 o 243.2713 2.542197  592.6495       12.36619  599.5833       17.71023  586.0526       17.27476  2.770859       5.084394  
1 1 1 9   10 19 o 156.5535 2.146326  246.4591       6.633626  238.4736       10.14486  252.4239       8.767802  -4.484009      4.292652  
1 1 1 9   10 20 o 122.6049 1.329470  150.3843       3.259462  149.6388       4.563726  151.1604       4.656836  -0.6192474     2.658941  
1 1 1 9   10 21 o 232.0704 2.429843  538.3942       11.25665  521.5696       15.36595  557.8813       16.53710  -7.791595      4.859687  
1 1 1 9   10 22 o 142.4509 1.520548  203.0826       4.332055  203.3261       6.135155  202.8406       6.117782  0.1700897      3.041095  
1 1 1 9   10 23 o 199.7638 2.099525  399.2881       8.380003  389.9184       11.54968  409.7041       12.17746  -4.933884      4.199051  
1 1 1 9   10 24 o 54.51706 0.7180646 29.71921       0.7828121 29.22536       1.095315  30.23483       1.119198  -0.9255524     1.436129  
1 1 1 9   10 25 o 118.8154 1.288630  140.6452       3.051128  134.2088       4.110074  148.5465       4.553866  -6.023621      2.577260  
1 1 1 9   10 26 f 104.7666 1.153594  109.8102       2.416528  108.3002       3.371153  111.4062       3.465784  -1.480026      2.307189  
1 1 1 9   10 27 o 131.6059 1.415772  173.2491       3.723244  169.2180       5.138345  177.7053       5.402506  -3.215546      2.831543  
1 1 1 9   10 28 o 24.72006 0.6505285 5.955912       0.3149819 7.987372       0.4863925 4.488654       0.4133671 7.075344       1.301057  
1 1 1 9   10 29 o 94.48338 1.056230  89.35688       1.995832  88.66263       2.806132  90.06760       2.839226  -0.7423477     2.112460  
1 1 1 9   10 30 o 84.09229 1.041778  70.30482       1.720674  68.31544       2.217771  73.31330       2.727297  -2.952873      2.083557  
1 1 1 9   10 31 o 117.1319 1.790392  137.7139       4.193739  138.9279       5.986458  136.5439       5.876749  1.009224       3.580784  
1 1 1 9   10 32 o 31.69097 0.7897630 9.829243       0.4949719 8.319319       0.6478266 11.94696       0.7672114 -5.719128      1.579526  
1 1 1 9   10 33 f 57.06960 0.8799638 32.45353       0.9547831 33.09195       1.633573  32.12229       1.176694  0.8295593      1.759928  
1 1 1 9   10 34 o 80.88297 0.9399282 64.67741       1.506889  59.66481       1.977007  71.62690       2.327842  -7.376816      1.879856  
1 1 1 9   10 35 o 74.21225 1.216508  54.94995       1.799716  58.34888       2.680092  52.15854       2.428788  4.152710       2.433017  
1 1 1 9   10 36 f 12.55597 0.9843084 1.623836       0.2397140 1.214186       0.3482819 1.992580       0.3304353 -3.100877      1.968617  
1 1 1 9   10 37 o 53.88606 0.7315629 28.05304       0.7714770 34.12790       1.260550  24.41490       0.9755093 8.997673       1.463126  
1 1 1 9   10 38 o 13.58578 0.9357595 1.846937       0.2539558 1.898961       0.3701265 1.800658       0.3490913 0.3601742      1.871519  
1 1 1 9   10 39 o 22.45504 1.238825  5.022832       0.5541830 5.563804       0.8280621 4.583961       0.7458373 2.172604       2.477650  
1 1 1 9   10 40 o 61.66171 1.053207  38.17438       1.273606  38.29795       1.648389  37.99135       2.006158  0.2872276      2.106414  
1 1 1 9   10 41 o 54.51814 0.7546032 29.66713       0.8210806 31.44298       1.209853  28.15082       1.117951  3.011814       1.509206  
1 1 1 9   10 42 o 66.97393 0.8442407 44.94723       1.130451  45.52155       1.624068  44.40744       1.574482  0.8267670      1.688481  
1 1 1 9   10 43 o 115.9493 1.284700  135.2278       2.978666  133.5144       4.164719  137.0222       4.261903  -1.496338      2.569401  
1 1 1 9   10 44 o 67.31519 0.8502927 45.43967       1.144707  45.47431       1.626398  45.40567       1.611427  0.4924774E-01  1.700585  
1 1 1 9   10 45 o 37.22375 0.7035694 13.87660       0.5236211 14.36187       0.7499319 13.41497       0.7314383 1.270016       1.407139  
1 1 1 9   10 46 o 16.96896 0.9697966 2.927814       0.3230621 3.561257       0.4562315 2.290762       0.4575288 3.743777       1.939593  
1 1 1 9   10 47 o 28.30066 0.7389854 8.034971       0.4180289 8.180857       0.5846847 7.882416       0.5979013 0.5289803      1.477971  
1 1 1 9   10 48 o 17.95957 0.9520019 3.227222       0.3411523 2.948214       0.4672194 3.545862       0.4993016 -1.658443      1.904004  
1 1 1 9   10 49 f 37.45707 0.7385408 14.06294       0.5530798 14.45183       0.7948619 13.69793       0.7700729 1.002796       1.477082  
1 1 1 9   10 50 o 62.10252 0.8411251 38.67801       1.044021  37.37648       1.444757  40.10043       1.510366  -2.181732      1.682250  
1 1 1 9   10 51 o 11.34278 1.572494  1.370694       0.3458021 1.783671       0.4814411 0.9305815      0.4970064 3.889460       3.144988  
1 1 1 9   10 52 o 34.31441 1.168527  11.95175       0.7160079 11.72100       1.357056  12.04077       0.8428766 -0.6018105     2.337054  
1 1 1 9   10 53 o 40.44500 1.899510  16.56720       1.536513  16.56720       1.536513  ?              ?         ?              ?         
1 1 1 9   10 54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   11 0  o 287.9459 2.997815  829.8843       17.26158  822.3013       24.16295  837.7878       24.66800  -2.682648      5.995629  
1 1 1 9   11 1  o 26.91518 0.5992406 7.272330       0.3166760 7.395321       0.4123106 7.095415       0.4945070 0.5573483      1.198481  
1 1 1 9   11 2  f 186.7501 1.962047  348.4645       7.320086  339.6849       10.07121  358.2970       10.65802  -4.977905      3.924094  
1 1 1 9   11 3  o 230.8474 2.412727  533.1091       11.13581  541.2094       15.99540  525.4904       15.51253  3.399109       4.825453  
1 1 1 9   11 4  o 363.6934 3.781665  1322.856       27.46164  1284.381       37.56654  1367.013       40.24490  -11.31000      7.563330  
1 1 1 9   11 5  o 353.8215 3.679171  1254.065       26.02986  1268.664       37.27426  1240.169       36.36610  4.009460       7.358342  
1 1 1 9   11 6  o 164.6390 1.737646  270.6492       5.712089  262.4913       7.811916  280.0223       8.373522  -5.318787      3.475292  
1 1 1 9   11 7  o 81.43629 0.9182326 66.30644       1.495180  65.41727       2.086681  67.24467       2.143471  -1.121681      1.836465  
1 1 1 9   11 8  o 252.4861 2.634583  637.0660       13.28240  658.4149       19.45700  618.4344       18.17659  7.896439       5.269165  
1 1 1 9   11 9  o 91.51546 1.019580  83.39094       1.859283  79.65694       2.503790  87.98126       2.776088  -4.546165      2.039160  
1 1 1 9   11 10 o 34.28124 0.7484079 11.28549       0.4478092 12.71579       0.9103678 10.82894       0.5143377 2.749874       1.496816  
1 1 1 9   11 11 o 99.73026 1.566931  99.34034       3.121257  96.30411       4.282661  102.7803       4.558488  -3.243439      3.133861  
1 1 1 9   11 12 o 143.0762 2.164895  204.9235       6.194804  205.5218       8.790018  204.3331       8.731822  0.4144135      4.329790  
1 1 1 9   11 13 o 222.7890 3.307137  497.1636       14.72597  507.6546       21.29777  487.5539       20.38364  4.487488       6.614275  
1 1 1 9   11 14 f 142.9914 1.524402  204.4058       4.356815  209.0433       6.297057  200.1472       6.034275  3.107559       3.048804  
1 1 1 9   11 15 o 320.9630 3.342855  1031.996       21.44207  1010.975       29.63593  1055.088       31.06161  -6.831940      6.685710  
1 1 1 9   11 16 f 108.5500 1.189597  117.4839       2.576061  112.7356       3.495917  123.1255       3.810589  -4.782448      2.379194  
1 1 1 9   11 17 o 134.0671 1.435924  178.5012       3.826612  168.5549       5.085175  191.4865       5.810327  -8.542557      2.871848  
1 1 1 9   11 18 o 135.3218 1.448088  182.4280       3.904826  192.2047       5.828608  174.4669       5.259634  6.545715       2.896176  
1 1 1 9   11 19 o 62.46352 1.136130  38.75165       1.413309  42.09705       2.121693  36.08316       1.894919  4.811153       2.272259  
1 1 1 9   11 20 f 93.29243 1.042094  87.04322       1.944069  88.23091       2.780341  85.90710       2.719330  1.244720       2.084187  
1 1 1 9   11 21 o 18.24125 0.7084267 3.327721       0.2584400 3.367853       0.3674084 3.288417       0.3636000 0.2177029      1.416853  
1 1 1 9   11 22 o 141.4547 1.513178  199.9534       4.275164  194.3725       5.866228  206.2750       6.243370  -4.199051      3.026356  
1 1 1 9   11 23 o 84.87148 0.9711577 72.05266       1.648327  71.36285       2.312433  72.76519       2.350198  -0.8255768     1.942315  
1 1 1 9   11 24 o 142.2646 1.521436  202.0867       4.319365  195.0182       5.878780  210.3790       6.367450  -5.385574      3.042872  
1 1 1 9   11 25 o 79.87770 0.9226382 63.81691       1.473622  64.73372       2.111772  62.94679       2.057328  1.117470       1.845276  
1 1 1 9   11 26 o 74.56470 0.8788341 55.01950       1.300830  50.92854       1.716769  60.53492       1.993367  -6.435837      1.757668  
1 1 1 9   11 27 o 77.21171 0.9023776 59.63090       1.393096  58.66791       1.942440  60.65083       1.999049  -1.282639      1.804755  
1 1 1 9   11 28 o 61.04284 0.7658869 37.27596       0.9349479 36.80816       1.311155  37.75988       1.333562  -0.7789993     1.531774  
1 1 1 9   11 29 o 55.77570 0.7317821 30.67451       0.8091281 27.86799       1.061660  34.56374       1.249777  -5.997559      1.463564  
1 1 1 9   11 30 o 39.95280 0.6290010 15.95471       0.5022442 16.34922       0.7271723 15.59484       0.6945137 0.9432220      1.258002  
1 1 1 9   11 31 o 92.18767 1.038261  85.06683       1.913521  86.33131       2.753031  83.88503       2.661541  1.322472       2.076522  
1 1 1 9   11 32 o 102.0148 1.133269  104.1889       2.311193  102.0546       3.211090  106.4830       3.329147  -2.163857      2.266538  
1 1 1 9   11 33 o 32.86729 0.7372204 9.875680       0.4552819 8.288976       0.5422021 13.66909       0.8383555 -8.172804      1.474441  
1 1 1 9   11 34 o 63.98794 1.085912  40.98520       1.388791  40.03940       1.922162  42.01818       2.008795  -1.540813      2.171824  
1 1 1 9   11 35 o 95.80241 1.370840  92.39680       2.589675  90.32791       3.988222  93.90503       3.405200  -1.920303      2.741680  
1 1 1 9   11 36 o 20.75314 0.7099822 4.292902       0.2940397 4.609090       0.4334350 4.023320       0.4002184 1.409626       1.419964  
1 1 1 9   11 37 o 19.03914 1.336510  3.683090       0.5026243 3.248920       0.7416688 4.051850       0.6835225 -2.114756      2.673021  
1 1 1 9   11 38 o 77.83626 1.345251  60.11687       2.078321  55.12999       2.740750  66.86452       3.188090  -7.485451      2.690502  
1 1 1 9   11 39 f 49.19024 0.7067847 24.22893       0.6953002 23.88172       0.9787729 24.58264       0.9878967 -0.7118149     1.413569  
1 1 1 9   11 40 o 52.30192 0.7308069 27.29857       0.7630343 25.64277       1.042054  29.21267       1.120386  -3.406723      1.461614  
1 1 1 9   11 41 o 20.56384 0.7693605 4.239501       0.3159578 4.185230       0.4577607 4.288881       0.4366499 -0.2538986     1.538721  
1 1 1 9   11 42 f 63.72758 0.8199156 40.70818       1.044999  40.32207       1.472881  41.09953       1.482872  -0.6089516     1.639831  
1 1 1 9   11 43 o 56.98737 0.7785327 32.50877       0.8866314 33.60089       1.285514  31.51789       1.224483  1.821156       1.557065  
1 1 1 9   11 44 f 48.89852 0.7369432 23.94046       0.7203450 24.70689       1.038927  23.23089       0.9996510 1.505108       1.473886  
1 1 1 9   11 45 o 25.76614 0.7593985 6.658907       0.3910592 6.924623       0.5518158 6.390819       0.5542749 1.036144       1.518797  
1 1 1 9   11 46 o 31.10446 0.7212917 9.697026       0.4486453 9.924270       0.6392683 9.476463       0.6297983 0.7186852      1.442583  
1 1 1 9   11 47 o 27.61848 0.7610965 7.654720       0.4192384 8.400056       0.5980535 6.934566       0.5878632 2.651731       1.522193  
1 1 1 9   11 48 o 69.69051 0.8894950 48.76465       1.239722  48.25410       1.742499  49.28798       1.764164  -0.7381821     1.778990  
1 1 1 9   11 49 o 56.73462 0.8073671 32.27932       0.9157239 31.27423       1.273372  33.35582       1.317831  -1.827343      1.614734  
1 1 1 9   11 50 o 11.11435 1.532081  1.288749       0.3319877 1.410984       0.4537550 1.147941       0.4870099 1.390980       3.064162  
1 1 1 9   11 51 o 24.82511 1.419472  0.000000       0.000000  ?              ?         6.202372       0.7047706 ?              ?         
1 1 1 9   11 52 o 52.69297 1.066541  27.96355       1.122954  29.69884       1.611511  26.32557       1.565673  3.188751       2.133081  
1 1 1 9   11 53 o 14.96605 1.701939  2.569531       0.4537942 3.484803       0.6031596 1.375647       0.6888716 7.234424       3.403877  
1 1 1 9   12 0  o 159.2593 1.683817  253.0964       5.351876  244.4609       7.289439  263.1949       7.882721  -5.876373      3.367634  
1 1 1 9   12 1  o 205.6105 2.155663  423.0470       8.864387  424.0954       12.57921  422.0128       12.49350  0.5054626      4.311327  
1 1 1 9   12 2  o 353.5295 3.676885  1251.410       25.97891  1278.629       37.60476  1226.559       35.93179  7.330444       7.353770  
1 1 1 9   12 3  o 276.6614 2.884125  766.1894       15.95395  756.5345       22.24675  776.4124       22.89167  -3.581848      5.768250  
1 1 1 9   12 4  o 455.1999 4.733191  2079.646       43.08647  2095.988       61.46447  2063.857       60.41599  3.499756       9.466381  
1 1 1 9   12 5  o 434.1641 4.517392  1890.934       39.20987  1862.226       54.52993  1921.667       56.42064  -6.791748      9.034784  
1 1 1 9   12 6  o 514.4733 5.371131  2659.153       55.23275  2720.528       79.80656  2602.730       76.51891  11.33008       10.74226  
1 1 1 9   12 7  o 258.7863 3.327310  666.8271       16.05591  683.3041       28.58177  659.2302       19.40750  4.435394       6.654620  
1 1 1 9   12 8  o 32.93015 0.9221913 10.82959       0.6067516 11.52806       0.8756956 10.18463       0.8414793 2.039572       1.844383  
1 1 1 9   12 9  o 258.7412 3.830609  671.3811       19.81464  682.3342       28.51334  661.1514       27.55548  4.063965       7.661218  
1 1 1 9   12 10 o 49.48285 0.8336409 25.26438       0.7854261 27.43073       0.9966831 21.71466       1.275821  5.777630       1.667282  
1 1 1 9   12 11 o 149.6816 1.588446  223.9943       4.752093  219.5924       6.578878  228.7968       6.871624  -3.071014      3.176893  
1 1 1 9   12 12 o 51.70361 0.6761057 26.72999       0.6990026 26.48306       0.9771026 26.98882       1.000387  -0.4889793     1.352211  
1 1 1 9   12 13 f 233.2919 2.442127  545.0131       11.39454  546.1497       16.13620  543.8827       16.09252  0.4849701      4.884254  
1 1 1 9   12 14 o 376.0079 3.915353  1419.248       29.44405  1418.227       41.60810  1420.272       41.67233  -0.2696838     7.830706  
1 1 1 9   12 15 o 249.3504 2.605391  622.7708       12.99167  617.6044       18.21131  628.1246       18.53906  -2.101685      5.210781  
1 1 1 9   12 16 o 170.4947 1.801672  290.5985       6.137193  283.8072       8.453444  298.1675       8.924288  -4.203156      3.603343  
1 1 1 9   12 17 f 68.77725 0.8183638 47.03999       1.121096  44.47169       1.505070  50.24115       1.680303  -4.192818      1.636728  
1 1 1 9   12 18 f 35.71775 0.6088006 12.55499       0.4313385 14.86727       0.6579251 10.81194       0.5712300 5.676338       1.217601  
1 1 1 9   12 19 o 49.24237 1.039802  24.20743       1.023003  25.51535       1.486300  23.03003       1.410189  2.522640       2.079604  
1 1 1 9   12 20 o 138.8040 1.484399  192.8137       4.120675  191.9927       5.799784  193.6506       5.855647  -0.5961151     2.968797  
1 1 1 9   12 21 o 234.8278 2.459864  552.8506       11.55289  553.0351       16.34651  552.6663       16.33000  0.7792664E-01  4.919728  
1 1 1 9   12 22 o 70.50605 0.8395410 49.72286       1.183761  49.41041       1.661738  50.04475       1.686723  -0.4495087     1.679082  
1 1 1 9   12 23 o 121.9048 1.320289  147.8639       3.203531  157.3720       4.822784  140.3559       4.285596  6.966255       2.640577  
1 1 1 9   12 24 o 163.8488 1.738873  268.8556       5.696367  272.9669       8.183117  264.9904       7.934399  2.424667       3.477747  
1 1 1 9   12 25 o 90.00005 1.016078  80.78930       1.824326  84.68929       2.698319  77.50556       2.475972  3.985466       2.032156  
1 1 1 9   12 26 o 78.32320 0.9125901 61.35328       1.429014  62.57597       2.055189  60.20885       1.988332  1.509377       1.825180  
1 1 1 9   12 27 o 108.9356 1.196911  118.6222       2.604236  122.6298       3.803587  115.0856       3.573101  3.453598       2.393823  
1 1 1 9   12 28 o 168.8087 1.792624  285.7362       6.049819  281.2563       8.414896  290.5290       8.703892  -2.728287      3.585248  
1 1 1 9   12 29 o 123.7191 1.343068  153.3886       3.323166  154.0042       4.721325  152.7843       4.678302  0.4906006      2.686137  
1 1 1 9   12 30 o 56.33366 0.7391592 31.42036       0.8274052 34.72968       1.260886  28.91763       1.096513  5.153065       1.478318  
1 1 1 9   12 31 o 58.89328 0.7528125 34.70398       0.8866120 34.05077       1.243884  35.37856       1.264077  -1.126541      1.505625  
1 1 1 9   12 32 o 87.70794 1.001607  77.03472       1.756729  77.53306       2.508816  76.55534       2.460665  0.5547943      2.003215  
1 1 1 9   12 33 o 143.8712 1.546156  207.4851       4.443902  201.9065       6.111829  213.7424       6.472962  -4.081757      3.092313  
1 1 1 9   12 34 o 44.66214 0.6735466 19.92982       0.6011264 19.04786       0.8302916 20.90137       0.8714429 -2.073215      1.347093  
1 1 1 9   12 35 o 97.32219 2.252433  95.19219       4.384234  95.19219       4.384234  ?              ?         ?              ?         
1 1 1 9   12 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   12 37 o 49.43623 0.9365079 24.45354       0.9250830 23.64573       1.274966  25.35163       1.344317  -1.719795      1.873016  
1 1 1 9   12 38 f 59.75506 0.7836249 35.76664       0.9364139 35.08303       1.321068  36.45696       1.327534  -1.149143      1.567250  
1 1 1 9   12 39 o 54.56710 0.7445552 29.81596       0.8124455 29.25202       1.137665  30.40289       1.160622  -1.052753      1.489110  
1 1 1 9   12 40 o 65.99718 0.8311617 43.64114       1.096804  44.12206       1.572268  43.18526       1.530795  0.7058411      1.662323  
1 1 1 9   12 41 o 57.01813 0.7682668 32.56537       0.8759194 31.70291       1.226066  33.46444       1.251810  -1.542274      1.536534  
1 1 1 9   12 42 o 34.55326 0.6781658 11.94667       0.4683834 12.37665       0.6764557 11.55068       0.6491746 1.192741       1.356332  
1 1 1 9   12 43 o 27.40939 0.7018415 7.476787       0.3831388 8.077880       0.5748256 6.996267       0.5139506 1.967108       1.403683  
1 1 1 9   12 44 o 33.43925 0.7098734 11.20513       0.4745718 11.62145       0.6743016 10.79651       0.6680340 1.232838       1.419747  
1 1 1 9   12 45 o 69.53046 0.8796026 48.51544       1.223119  48.66367       1.739804  48.37059       1.719872  0.2079010      1.759205  
1 1 1 9   12 46 o 9.919273 1.547867  1.028955       0.2997200 0.8549142      0.4126518 1.223294       0.4360518 -1.810807      3.095734  
1 1 1 9   12 47 o 59.92396 0.8196074 36.02460       0.9821848 35.45012       1.377836  36.61813       1.400479  -0.9712334     1.639215  
1 1 1 9   12 48 o 38.22614 0.7341881 14.64770       0.5611193 14.16304       0.7834628 15.15813       0.8040216 -1.298603      1.468376  
1 1 1 9   12 49 o 45.79008 0.7631421 21.03804       0.6987495 21.17848       0.9995000 20.90378       0.9772379 0.2963371      1.526284  
1 1 1 9   12 50 o 8.521395 2.426972  0.4085726      0.6140458 -0.1523272     1.161448  0.6261739      0.7234154 -0.2499762     4.853943  
1 1 1 9   12 51 o 31.03077 1.000047  9.705193       0.6176596 9.819092       0.8363774 9.568559       0.9160554 0.4224873      2.000095  
1 1 1 9   12 52 o 6.634889 1.886728  0.1998538      0.3931284 0.4067314      0.5086578 -0.1070388     0.6195298 1.020626       3.773456  
1 1 1 9   12 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   13 0  o 177.2326 2.632132  313.6583       9.308307  326.4972       13.73549  302.7542       12.65826  6.679840       5.264263  
1 1 1 9   13 1  f 45.46313 0.7383490 20.03296       0.6299080 22.49527       1.130431  18.92410       0.7585970 3.925716       1.476698  
1 1 1 9   13 2  o 117.0120 1.263984  136.9459       2.957802  135.7876       4.151973  138.1393       4.214659  -1.004356      2.527967  
1 1 1 9   13 3  o 255.0868 2.886504  647.9769       14.45020  671.2373       22.92974  632.6536       18.61090  7.473099       5.773009  
1 1 1 9   13 4  o 253.5573 3.425940  644.1031       17.00089  646.5613       27.00322  642.4888       21.88216  0.6714020      6.851881  
1 1 1 9   13 5  o 385.3736 5.695369  1495.771       43.89545  1502.460       62.37965  1489.211       61.77979  1.692139       11.39074  
1 1 1 9   13 6  o 165.5645 2.492375  274.0476       8.241649  266.3165       11.30555  282.8159       12.03998  -4.968018      4.984750  
1 1 1 9   13 7  o 468.6138 5.966121  2227.041       53.26700  2258.613       66.23681  2169.244       89.61900  10.64102       11.93224  
1 1 1 9   13 8  o 148.4843 1.577193  219.3726       4.662043  232.8283       7.009412  208.6980       6.243164  8.115997       3.154386  
1 1 1 9   13 9  o 144.3697 1.536343  208.5187       4.435750  209.8476       6.315488  207.2250       6.231550  0.9072723      3.072686  
1 1 1 9   13 10 o 128.4936 1.379133  164.6087       3.534069  158.1305       4.785850  172.3776       5.240953  -5.538834      2.758267  
1 1 1 9   13 11 o 37.73059 0.6006829 13.96313       0.4488981 16.61929       0.6926227 12.03930       0.5894582 6.068813       1.201366  
1 1 1 9   13 12 o 238.2437 2.491297  568.2480       11.86642  560.0828       16.51790  576.9564       17.05844  -3.529282      4.982593  
1 1 1 9   13 13 o 17.30752 0.6304674 2.994569       0.2178750 3.236519       0.3120402 2.764402       0.3043473 1.363863       1.260935  
1 1 1 9   13 14 o 185.0202 1.949464  342.6398       7.213074  345.3141       10.28861  340.0548       10.11525  1.418015       3.898928  
1 1 1 9   13 15 o 238.5182 2.495188  568.9421       11.88521  587.3558       17.38564  552.7866       16.28476  7.218399       4.990376  
1 1 1 9   13 16 o 67.84705 0.8138948 45.98449       1.103504  47.41100       1.600617  44.69226       1.523423  2.002899       1.627790  
1 1 1 9   13 17 o 199.1151 2.092920  396.9546       8.333332  393.0516       11.66190  401.0270       11.91231  -1.996735      4.185840  
1 1 1 9   13 18 o 63.40242 0.7827095 39.65415       0.9838033 44.37720       1.519211  36.24308       1.291078  6.412468       1.565419  
1 1 1 9   13 19 o 107.1001 1.174184  114.5612       2.511637  118.5140       3.670234  111.0798       3.444486  3.466980       2.348369  
1 1 1 9   13 20 o 176.2581 1.862743  309.9875       6.545777  297.4684       8.846679  325.1332       9.730574  -7.822021      3.725485  
1 1 1 9   13 21 o 63.72572 0.7871164 40.57600       1.002416  39.51816       1.384869  41.74021       1.452832  -1.742554      1.574233  
1 1 1 9   13 22 o 140.3747 1.503859  196.7744       4.212839  189.8693       5.734683  204.8697       6.209285  -5.328979      3.007719  
1 1 1 9   13 23 o 33.87885 0.6116441 11.46742       0.4141980 11.01448       0.5749356 11.95616       0.5972292 -1.389477      1.223288  
1 1 1 9   13 24 o 150.0160 1.599946  225.4503       4.800179  224.3304       6.754233  226.5932       6.823248  -0.7513733     3.199891  
1 1 1 9   13 25 o 53.23264 0.7176946 27.72320       0.7547217 24.42818       0.9784876 32.56254       1.185823  -7.635944      1.435389  
1 1 1 9   13 26 o 130.9586 1.412331  171.8233       3.699132  171.6146       5.225964  172.0328       5.236780  -0.1591339     2.824661  
1 1 1 9   13 27 o 100.3900 1.117872  100.8936       2.244183  101.8496       3.204412  99.97343       3.143959  0.9319992      2.235744  
1 1 1 9   13 28 o 82.40615 0.9507187 67.94600       1.566272  69.20176       2.254014  66.77350       2.178027  1.470245       1.901437  
1 1 1 9   13 29 o 96.21544 1.080517  91.99763       2.066968  99.10245       3.135697  86.53845       2.748660  6.509987       2.161034  
1 1 1 9   13 30 o 55.24608 0.7339559 30.54076       0.8109162 30.88693       1.154328  30.20347       1.139434  0.6180229      1.467912  
1 1 1 9   13 31 f 78.86559 1.168936  62.26540       1.837489  69.58203       2.647860  55.46899       2.551995  8.941551       2.337872  
1 1 1 9   13 32 o 108.2313 1.196978  116.9407       2.583231  111.7232       3.493351  123.2361       3.837307  -5.295341      2.393955  
1 1 1 9   13 33 o 60.31004 1.154172  36.28521       1.388706  33.80915       1.886227  39.21588       2.052094  -4.469959      2.308345  
1 1 1 9   13 34 o 68.23754 1.113751  46.38001       1.476928  45.44970       1.869743  47.92366       2.408466  -1.770905      2.227502  
1 1 1 9   13 35 o 100.1600 1.123027  100.5779       2.249413  99.51795       3.153387  101.6761       3.209659  -1.072525      2.246053  
1 1 1 9   13 36 f 60.98238 0.7881437 36.93628       0.9557092 40.04390       1.449362  34.54556       1.271241  4.496231       1.576287  
1 1 1 9   13 37 o 75.14449 0.9766050 56.76292       1.457360  57.97911       1.960289  55.26011       2.179063  1.829422       1.953210  
1 1 1 9   13 38 o 41.59145 0.8761356 16.78881       0.7167299 14.27302       0.9187396 20.70057       1.145620  -7.706211      1.752271  
1 1 1 9   13 39 o 61.46832 1.069183  37.91317       1.314279  37.51336       1.842418  38.32741       1.875363  -0.6582603     2.138366  
1 1 1 9   13 40 o 47.43295 0.7539185 22.53637       0.7100601 22.59611       1.070971  22.48950       0.9484995 0.1011772      1.507837  
1 1 1 9   13 41 o 44.44156 0.7068831 19.72959       0.6272038 20.76300       0.9208997 18.83547       0.8565882 2.162590       1.413766  
1 1 1 9   13 42 f 53.01796 0.7449149 28.13328       0.7890704 28.93764       1.147593  27.41200       1.086721  1.432564       1.489830  
1 1 1 9   13 43 o 21.33448 0.7748666 4.576850       0.3292032 4.096576       0.4662755 5.054203       0.4648550 -2.244478      1.549733  
1 1 1 9   13 44 o 70.85851 0.8849323 50.37140       1.253687  50.83915       1.799564  49.93030       1.747543  0.6340942      1.769865  
1 1 1 9   13 45 o 30.15114 0.7201959 9.096291       0.4337098 9.450052       0.6337155 8.784596       0.5948448 1.098627       1.440392  
1 1 1 9   13 46 o 34.96257 0.7320371 12.25142       0.5117673 12.54829       0.7326555 11.96855       0.7151582 0.8268089      1.464074  
1 1 1 9   13 47 o 21.91542 0.8778207 4.836271       0.3821899 5.536568       0.5449380 4.158340       0.5361651 3.142954       1.755641  
1 1 1 9   13 48 o 40.09135 1.207655  16.20483       0.9624737 16.23524       1.442973  16.18045       1.291822  0.3131485E-01  2.415310  
1 1 1 9   13 49 o 21.47593 0.9901178 4.606824       0.4229584 4.955003       0.6398146 4.336563       0.5636969 1.423088       1.980236  
1 1 1 9   13 50 o 31.68503 0.9745554 10.12768       0.6152652 10.46420       0.8433143 9.744706       0.8996477 1.147963       1.949111  
1 1 1 9   13 51 o 23.21939 1.076183  5.388417       0.4970373 5.000061       0.6619702 5.890313       0.7525419 -1.892416      2.152366  
1 1 1 9   13 52 o 24.64907 1.628504  0.000000       0.000000  ?              ?         6.132293       0.8028223 ?              ?         
1 1 1 9   14 0  o 90.85756 1.277819  78.47124       2.049223  91.37065       4.122594  74.23815       2.361645  9.410378       2.555639  
1 1 1 9   14 1  f 177.6051 3.769988  315.9478       13.39138  315.9478       13.39138  ?              ?         ?              ?         
1 1 1 9   14 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   14 3  o 158.7983 3.355152  252.4898       10.65585  252.4898       10.65585  ?              ?         ?              ?         
1 1 1 9   14 4  o 40.95292 0.7797777 16.71800       0.6374224 15.91329       0.8686789 17.65675       0.9382371 -2.128189      1.559555  
1 1 1 9   14 5  o 161.7055 2.075625  263.8611       6.440591  254.0471       10.64139  269.5343       8.090756  -4.829361      4.151250  
1 1 1 9   14 6  o 161.5321 1.709211  261.0909       5.521763  260.4261       7.783569  261.7643       7.834587  -0.4135590     3.418422  
1 1 1 9   14 7  o 151.2086 1.605760  227.7760       4.838434  240.0107       7.221272  217.8089       6.517829  7.332321       3.211521  
1 1 1 9   14 8  o 281.3954 2.934997  792.9197       16.50801  778.6614       22.87809  808.4068       23.84352  -5.261383      5.869995  
1 1 1 9   14 9  o 166.0245 1.755432  275.4856       5.822410  283.2753       8.477269  268.5296       8.010780  4.433594       3.510864  
1 1 1 9   14 10 o 138.5452 1.479758  192.0550       4.100258  191.7945       5.790943  192.3169       5.806369  -0.1883545     2.959517  
1 1 1 9   14 11 o 286.4814 2.988884  822.6349       17.12485  819.6594       24.12682  825.6558       24.31061  -1.041443      5.977767  
1 1 1 9   14 12 o 69.73671 0.8292598 48.64149       1.156581  48.66341       1.631512  48.61934       1.639824  0.3166199E-01  1.658520  
1 1 1 9   14 13 o 329.0181 3.429458  1086.235       22.56639  1081.835       31.76695  1090.718       32.06249  -1.339478      6.858916  
1 1 1 9   14 14 o 378.3950 3.945767  1438.324       29.85478  1455.665       42.75512  1421.823       41.70646  4.426788       7.891535  
1 1 1 9   14 15 o 205.7929 2.162396  424.1082       8.899537  421.0204       12.49994  427.2825       12.67355  -1.517181      4.324792  
1 1 1 9   14 16 o 256.9118 2.686065  661.5103       13.79857  669.2233       19.76411  654.1755       19.27340  2.912521       5.372130  
1 1 1 9   14 17 o 142.8699 1.526169  203.9884       4.355393  210.2398       6.353559  198.4465       5.982120  4.119568       3.052338  
1 1 1 9   14 18 o 69.28081 1.227735  47.82368       1.696870  50.93021       2.511382  45.21409       2.301769  4.121391       2.455469  
1 1 1 9   14 19 o 216.3200 2.271572  469.0146       9.826998  465.9124       13.79725  472.2086       13.99991  -1.447815      4.543144  
1 1 1 9   14 20 o 128.6331 1.386517  165.6039       3.566623  164.1124       4.998198  167.1514       5.091018  -1.178925      2.773034  
1 1 1 9   14 21 o 60.57371 0.7618154 36.69687       0.9228219 37.29652       1.316389  36.11741       1.294033  0.9729271      1.523631  
1 1 1 9   14 22 o 104.5857 1.153304  109.4680       2.412205  110.3179       3.436672  108.6427       3.386626  0.7995300      2.306608  
1 1 1 9   14 23 o 59.11687 0.7489583 34.57596       0.8792243 31.87993       1.161871  38.18853       1.344943  -5.331985      1.497917  
1 1 1 9   14 24 o 142.5898 1.528277  203.3826       4.352135  197.4370       5.966566  210.1428       6.362158  -4.436371      3.056555  
1 1 1 9   14 25 o 112.0783 1.228705  125.7018       2.752559  128.3990       3.976784  123.2212       3.813745  2.303146       2.457410  
1 1 1 9   14 26 o 24.66640 0.6283531 6.074980       0.3096813 6.400641       0.4495926 5.780982       0.4271775 1.255552       1.256706  
1 1 1 9   14 27 o 52.23460 0.7071990 27.21009       0.7373260 28.73913       1.085604  25.90078       1.004577  2.714413       1.414398  
1 1 1 9   14 28 o 45.38379 0.6721863 20.07236       0.6017149 24.14035       0.9510331 17.35692       0.7770077 7.467995       1.344373  
1 1 1 9   14 29 o 125.5424 1.364121  157.9685       3.424119  160.2595       4.913785  155.8059       4.774104  1.764191       2.728242  
1 1 1 9   14 30 o 91.20468 1.763897  82.94465       3.003924  85.34100       5.337241  81.83360       3.634173  1.763474       3.527794  
1 1 1 9   14 31 f 65.03815 1.219136  42.40129       1.585803  42.36486       2.244670  42.43760       2.240664  -0.5619812E-01 2.438273  
1 1 1 9   14 32 o 109.3476 1.512697  118.2755       3.037519  115.6199       3.616907  124.6305       5.595211  -3.925735      3.025395  
1 1 1 9   14 33 o 41.90247 0.6621109 17.48852       0.5533627 18.73943       0.8205089 16.44489       0.7494551 2.734661       1.324222  
1 1 1 9   14 34 o 86.78051 0.9994214 75.45105       1.734336  74.30701       2.426682  76.64555       2.479618  -1.343338      1.998843  
1 1 1 9   14 35 o 44.12279 0.6832464 19.30563       0.5995494 21.24559       0.9087069 17.81013       0.7978501 3.886658       1.366493  
1 1 1 9   14 36 o 51.70213 0.7231283 26.74733       0.7473045 27.35774       1.079531  26.18566       1.035538  1.130482       1.446257  
1 1 1 9   14 37 o 17.09981 0.8072540 2.951035       0.2740534 2.633138       0.3964710 3.241904       0.3792429 -1.781479      1.614508  
1 1 1 9   14 38 o 19.62780 0.7560339 3.872069       0.2957886 3.633518       0.4270746 4.091992       0.4100604 -1.169334      1.512068  
1 1 1 9   14 39 o 34.52105 0.6721767 11.93576       0.4640374 11.90618       0.6605506 11.96457       0.6520282 -0.8525848E-01 1.344353  
1 1 1 9   14 40 o 17.03018 1.004477  2.957061       0.3359029 2.361751       0.4823997 3.517371       0.4680042 -3.394725      2.008954  
1 1 1 9   14 41 f 69.87700 1.175725  49.08147       1.642954  49.57704       2.343980  48.60285       2.303524  0.6905670      2.351449  
1 1 1 9   14 42 o 34.63432 0.7184939 12.03116       0.4944179 11.92940       0.7413625 12.11267       0.6635206 -0.2727127     1.436988  
1 1 1 9   14 43 f 22.06171 0.7676289 4.884576       0.3374049 4.820581       0.4977284 4.938988       0.4589520 -0.2729053     1.535258  
1 1 1 9   14 44 o 12.26550 1.164681  1.508286       0.2843881 1.726260       0.4156189 1.316379       0.3899759 1.665709       2.329363  
1 1 1 9   14 45 o 37.41779 0.7194484 14.00455       0.5370036 14.46782       0.7934487 13.61299       0.7294562 1.134144       1.438897  
1 1 1 9   14 46 o 10.37268 1.976326  1.206880       0.3698218 0.6641544      0.9056161 1.315500       0.4051427 -2.098245      3.952651  
1 1 1 9   14 47 o 45.95132 1.010315  20.83757       0.8718870 20.11374       1.055414  22.39321       1.547243  -2.381790      2.020631  
1 1 1 9   14 48 o 10.70261 1.652043  1.197841       0.3537984 0.8253964      0.4966834 1.581479       0.5040919 -3.585899      3.304085  
1 1 1 9   14 49 o 54.11424 1.055621  29.48361       1.141493  29.31155       1.579691  29.67164       1.651322  -0.3156929     2.111243  
1 1 1 9   14 50 o 36.81487 0.9648429 13.64499       0.7089252 14.81480       1.011642  12.51621       0.9937411 3.117558       1.929686  
1 1 1 9   14 51 o 53.02516 1.053988  28.12927       1.111755  26.49073       1.482274  30.23639       1.680911  -3.480858      2.107976  
1 1 1 9   15 0  o 162.9154 2.124183  265.5658       6.501918  265.3477       7.933942  266.0120       11.34577  -0.1479492     4.248366  
1 1 1 9   15 1  o 175.1125 1.847118  306.4721       6.461743  298.8593       8.888783  315.0040       9.410048  -4.602173      3.694237  
1 1 1 9   15 2  o 123.5357 1.330109  152.3932       3.281486  157.5877       4.799909  147.8349       4.496390  3.944099       2.660219  
1 1 1 9   15 3  o 129.9671 1.395285  168.9565       3.626170  167.2513       5.070966  170.7408       5.187372  -1.341125      2.790570  
1 1 1 9   15 4  o 120.3456 1.564082  147.2444       3.675424  157.5396       4.811356  132.8181       5.695442  10.28269       3.128165  
1 1 1 9   15 5  o 97.35915 1.496796  94.81530       2.913895  93.69245       4.069909  95.99619       4.173795  -1.181740      2.993592  
1 1 1 9   15 6  o 248.2604 3.667774  618.4387       18.21125  618.7236       25.76212  618.1541       25.74709  0.1142120      7.335547  
1 1 1 9   15 7  o 188.7095 2.799635  356.7466       10.56404  352.8171       14.75645  360.8776       15.13017  -2.126099      5.599270  
1 1 1 9   15 8  o 197.4203 2.559577  384.1480       9.310233  406.5052       17.07070  374.6821       11.10767  7.918320       5.119153  
1 1 1 9   15 9  o 166.1601 1.758796  276.3196       5.844679  275.2372       8.230060  277.4210       8.301655  -0.6559296     3.517591  
1 1 1 9   15 10 o 163.5419 1.738032  266.8792       5.671150  278.9579       8.377567  256.6622       7.705011  6.804504       3.476064  
1 1 1 9   15 11 o 118.5298 1.285306  140.5607       3.046909  141.1303       4.321077  139.9973       4.296983  0.4776230      2.570612  
1 1 1 9   15 12 o 146.2173 1.559225  213.9408       4.559442  215.4873       6.491238  212.4348       6.405664  1.042313       3.118450  
1 1 1 9   15 13 o 182.5846 1.928389  332.8394       7.025303  346.8664       10.37055  320.9429       9.550583  7.080673       3.856777  
1 1 1 9   15 14 o 160.9067 1.706386  259.0258       5.488747  254.6579       7.622093  263.7303       7.910455  -2.813049      3.412773  
1 1 1 9   15 15 o 100.9407 1.117139  101.0118       2.239300  109.4979       3.421315  94.65195       2.961844  7.346725       2.234278  
1 1 1 9   15 16 o 76.39055 0.8970987 58.21391       1.368127  61.00341       2.009892  55.80544       1.867584  3.400284       1.794197  
1 1 1 9   15 17 o 137.3327 2.105681  188.4286       5.769767  196.7159       8.520994  181.4116       7.840752  5.548767       4.211361  
1 1 1 9   15 18 o 199.8963 2.104451  400.4146       8.412421  404.0280       12.00959  396.9336       11.78744  1.766251       4.208903  
1 1 1 9   15 19 o 97.28539 1.084312  94.70432       2.109648  94.21827       2.965878  95.20209       3.001424  -0.5048294     2.168623  
1 1 1 9   15 20 o 139.0502 1.491720  193.6060       4.148084  192.1137       5.818340  195.1485       5.915416  -1.087952      2.983440  
1 1 1 9   15 21 o 216.4346 2.277116  470.1789       9.856635  468.2838       13.87520  472.1095       14.00447  -0.8762665     4.554232  
1 1 1 9   15 22 o 63.17837 0.7954462 39.01008       0.9907260 45.51347       1.571842  34.72354       1.276125  8.532291       1.590892  
1 1 1 9   15 23 o 97.51142 1.087842  95.17970       2.121382  94.40328       2.978099  95.97946       3.022571  -0.8066101     2.175683  
1 1 1 9   15 24 o 64.16523 0.7966761 40.84059       1.016674  44.54126       1.540395  37.98431       1.353296  5.104233       1.593352  
1 1 1 9   15 25 o 59.24657 0.7594988 34.82365       0.8952199 38.05898       1.353628  32.30849       1.193501  4.848064       1.518998  
1 1 1 9   15 26 o 39.69137 0.6425962 15.72774       0.5095445 16.57450       0.7415987 14.97051       0.7012984 2.019405       1.285192  
1 1 1 9   15 27 o 86.39433 0.9894196 74.70451       1.709045  73.51443       2.380332  75.97076       2.455322  -1.418068      1.978839  
1 1 1 9   15 28 o 60.41714 1.002738  36.90490       1.126432  35.59869       1.985566  37.52480       1.367853  -1.625168      2.005475  
1 1 1 9   15 29 o 80.32159 1.377197  64.23745       2.201433  60.27119       2.940649  69.29434       3.320426  -5.588432      2.754393  
1 1 1 9   15 30 o 9.399596 1.877913  0.9031338      0.2987180 0.9284220      0.3235991 0.7573996      0.7768341 0.1404400      3.755826  
1 1 1 9   15 31 o 125.5848 1.367840  158.0698       3.431971  153.9436       4.724530  162.6796       4.993731  -3.453163      2.735681  
1 1 1 9   15 32 o 68.25739 0.8433403 46.59906       1.150421  48.11311       1.666920  45.22203       1.589708  2.113213       1.686681  
1 1 1 9   15 33 o 52.00726 0.7256889 27.06894       0.7546476 27.53675       1.081548  26.62510       1.053472  0.8748741      1.451378  
1 1 1 9   15 34 o 30.25559 0.6500467 9.106312       0.3920822 9.929388       0.5833340 8.428048       0.5295373 2.478111       1.300093  
1 1 1 9   15 35 o 72.37123 0.8788120 52.48412       1.271981  51.95300       1.795014  53.01982       1.802715  -0.7364044     1.757624  
1 1 1 9   15 36 o 35.13312 0.6595314 12.34996       0.4630951 12.59099       0.6701102 12.12962       0.6407093 0.6545715      1.319063  
1 1 1 9   15 37 o 22.49720 0.7133704 5.061975       0.3206358 5.221359       0.4666654 4.919453       0.4412927 0.6689873      1.426741  
1 1 1 9   15 38 o 39.65425 0.6865782 15.66786       0.5428320 14.11468       0.7402723 17.47443       0.7983767 -4.231514      1.373156  
1 1 1 9   15 39 o 28.21558 0.6788152 7.943493       0.3821014 8.408234       0.5653954 7.552796       0.5184036 1.511721       1.357630  
1 1 1 9   15 40 o 43.09492 0.6984348 18.60699       0.6018472 18.59092       0.8600154 18.62242       0.8425348 -0.3821182E-01 1.396870  
1 1 1 9   15 41 o 34.40995 0.6879613 11.85491       0.4732554 12.15697       0.6814842 11.57356       0.6577168 0.8453560      1.375923  
1 1 1 9   15 42 o 16.72606 1.025565  2.782489       0.3381362 3.518164       0.5042384 2.181331       0.4558136 3.988821       2.051131  
1 1 1 9   15 43 f 65.83388 1.137473  43.48923       1.495020  45.66491       2.195883  41.60939       2.041143  3.049881       2.274946  
1 1 1 9   15 44 o 54.70950 0.8322385 29.69121       0.8942969 31.80280       1.424679  28.31815       1.148831  3.144222       1.664477  
1 1 1 9   15 45 o 60.60262 1.494711  37.20654       1.714775  37.00005       2.938713  37.31314       2.111521  -0.4842796     2.989422  
1 1 1 9   15 46 o 19.30967 0.9551234 3.736949       0.3629008 3.807865       0.5688565 3.688281       0.4712509 0.2911224      1.910247  
1 1 1 9   15 47 o 25.78443 0.8809386 6.694197       0.4503610 6.573658       0.6799014 6.788433       0.6011565 -0.4317799     1.761877  
1 1 1 9   15 48 o 42.70762 0.9333515 18.33576       0.7970625 18.50275       1.140741  18.17646       1.114163  0.3764915      1.866703  
1 1 1 9   15 49 o 22.71273 1.412292  5.589436       0.5631917 6.082027       0.6726289 4.434178       1.030081  3.741652       2.824584  
1 1 1 9   15 50 o 53.59103 1.045982  28.73409       1.114798  27.13206       1.484846  30.80371       1.687687  -3.373478      2.091964  
1 1 1 9   15 51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   16 0  o 125.9892 1.357894  157.3652       3.396925  170.4472       5.192873  147.5800       4.491126  9.066414       2.715787  
1 1 1 9   16 1  o 87.67613 0.9949476 76.83423       1.743502  75.43665       2.413860  78.35861       2.520997  -1.665367      1.989895  
1 1 1 9   16 2  o 373.3857 3.890173  1399.563       29.04867  1408.230       41.37222  1391.135       40.79590  2.268463       7.780346  
1 1 1 9   16 3  o 126.0964 1.359307  159.0679       3.427794  158.1313       4.811567  160.0331       4.884523  -0.7531815     2.718614  
1 1 1 9   16 4  o 186.8111 1.967762  349.1339       7.348053  355.5908       10.60107  343.1630       10.19430  3.318649       3.935524  
1 1 1 9   16 5  o 213.4684 2.239121  455.5732       9.546202  443.0396       13.09182  469.8033       13.94972  -6.249908      4.478242  
1 1 1 9   16 6  o 40.08380 0.6251164 16.07129       0.5008656 16.14363       0.6977180 15.99438       0.7194434 0.1863060      1.250233  
1 1 1 9   16 7  o 109.9772 1.295107  121.2172       2.828471  122.8220       3.795065  119.2118       4.242325  1.647453       2.590215  
1 1 1 9   16 8  o 286.5430 3.698950  812.2125       19.54403  793.4429       23.34283  856.2183       35.74227  -10.46457      7.397899  
1 1 1 9   16 9  o 139.9050 2.099587  195.9746       5.874118  197.9100       8.387925  194.1120       8.228872  1.353622       4.199174  
1 1 1 9   16 10 o 173.3312 2.580027  300.9568       8.940691  305.8046       12.85509  296.4147       12.44307  2.696365       5.160054  
1 1 1 9   16 11 o 244.5997 3.313168  598.1527       15.79132  611.1238       25.49834  590.0825       20.11253  4.084900       6.626336  
1 1 1 9   16 12 o 122.4263 1.435760  149.4310       3.460110  153.1403       5.424479  146.8865       4.492807  2.536552       2.871520  
1 1 1 9   16 13 o 189.0162 1.992718  357.8311       7.532681  355.8334       10.58498  359.8808       10.72198  -1.066650      3.985437  
1 1 1 9   16 14 o 65.93636 0.8165423 43.10914       1.070164  40.26879       1.420850  46.83289       1.626865  -4.974960      1.633085  
1 1 1 9   16 15 o 207.9171 2.187374  433.2359       9.095459  431.1718       12.79257  435.3460       12.93445  -0.9987183     4.374748  
1 1 1 9   16 16 o 76.75235 1.321732  58.28260       2.013361  53.77694       2.654471  64.38574       3.089411  -6.900642      2.643464  
1 1 1 9   16 17 o 230.1069 2.415254  531.2927       11.11504  529.1244       15.65107  533.4990       15.78790  -0.9436798     4.830509  
1 1 1 9   16 18 o 241.8351 2.537532  587.0708       12.26970  579.3942       17.10640  595.2046       17.60846  -3.239777      5.075065  
1 1 1 9   16 19 o 250.6924 2.630703  631.5240       13.18931  628.1692       18.54400  634.9584       18.76293  -1.339615      5.261405  
1 1 1 9   16 20 o 50.20615 0.7020343 25.19537       0.7044781 24.65332       0.9754112 25.78644       1.018554  -1.127594      1.404069  
1 1 1 9   16 21 f 36.41988 0.6274099 13.05169       0.4532030 15.44764       0.6923749 11.25560       0.5994691 5.753262       1.254820  
1 1 1 9   16 22 o 54.65347 0.7226873 29.88252       0.7899062 30.12733       1.124147  29.64375       1.110176  0.4420547      1.445375  
1 1 1 9   16 23 o 171.3954 1.820803  294.7836       6.241069  292.8062       8.761741  296.8203       8.892112  -1.162003      3.641606  
1 1 1 9   16 24 o 37.09069 0.6372042 13.64543       0.4706253 15.37222       0.7032461 12.24481       0.6333564 4.213947       1.274408  
1 1 1 9   16 25 o 37.81424 0.6445215 14.23953       0.4862664 13.28681       0.6608155 15.36466       0.7181223 -2.745762      1.289043  
1 1 1 9   16 26 f 40.97327 1.076221  16.78089       0.8806491 15.57501       1.217831  18.10260       1.274985  -3.081413      2.152442  
1 1 1 9   16 27 f 56.97094 1.433494  30.77772       1.495681  36.99930       2.845435  28.40240       1.758164  7.462727       2.866988  
1 1 1 9   16 28 o 37.33647 0.6496474 13.92171       0.4846071 13.32411       0.6672255 14.58890       0.7050103 -1.692406      1.299295  
1 1 1 9   16 29 o 32.70782 0.6373621 10.70526       0.4169286 10.78137       0.5912137 10.62995       0.5880511 0.2313461      1.274724  
1 1 1 9   16 30 o 43.06004 0.6773296 18.39541       0.5806254 16.82598       0.7773579 20.37584       0.8732362 -4.117455      1.354659  
1 1 1 9   16 31 o 65.20502 0.8200819 42.57408       1.069468  42.64874       1.513622  42.49966       1.511294  0.1141815      1.640164  
1 1 1 9   16 32 o 26.65330 0.6715772 7.031684       0.3548885 8.488863       0.5310134 5.855459       0.4770833 4.937214       1.343154  
1 1 1 9   16 33 o 14.41612 0.8843342 2.073504       0.2521538 2.531837       0.3701000 1.676440       0.3444758 2.964860       1.768668  
1 1 1 9   16 34 o 41.87136 0.6725312 17.53505       0.5627743 18.02554       0.8153171 17.08869       0.7777756 1.116261       1.345062  
1 1 1 9   16 35 o 51.31239 0.7292556 26.36166       0.7481340 26.70913       1.074979  26.03529       1.041841  0.6540756      1.458511  
1 1 1 9   16 36 o 48.97075 0.7155436 23.96431       0.6995728 24.91875       1.026947  23.13791       0.9555932 1.812580       1.431087  
1 1 1 9   16 37 o 73.51526 0.8993556 53.67785       1.314352  49.70796       1.745544  58.87571       1.997348  -6.207832      1.798711  
1 1 1 9   16 38 o 38.10437 0.6906196 14.55435       0.5257969 14.30757       0.7567393 14.78469       0.7311017 -0.6283951     1.381239  
1 1 1 9   16 39 o 35.02797 0.6850005 12.02954       0.4747353 14.44623       0.7364488 10.31128       0.6209778 5.891556       1.370001  
1 1 1 9   16 40 o 42.22464 0.6985318 17.86916       0.5897651 17.54197       0.8376060 18.19086       0.8305464 -0.7690926     1.397064  
1 1 1 9   16 41 o 24.88168 0.7251911 6.219400       0.3596896 5.647940       0.5093374 6.787909       0.5080210 -2.290924      1.450382  
1 1 1 9   16 42 o 30.43681 0.7106913 9.106565       0.4284047 10.87455       0.6606977 7.823987       0.5627358 4.999397       1.421383  
1 1 1 9   16 43 o 38.24802 1.227962  14.51740       0.9316709 16.57436       1.433206  13.01203       1.226073  4.611969       2.455925  
1 1 1 9   16 44 o 10.69026 1.491848  1.228999       0.3191662 0.4678442      0.4459110 2.028598       0.4570328 -7.009602      2.983696  
1 1 1 9   16 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   16 46 o 23.50488 0.9561436 5.558767       0.4431571 4.392875       0.6108550 6.854156       0.6438864 -5.228884      1.912287  
1 1 1 9   16 47 o 32.20040 0.8936481 10.39994       0.5747707 10.81135       0.8393409 10.03666       0.7887161 1.192936       1.787296  
1 1 1 9   16 48 o 76.29658 1.281091  58.82918       1.954304  57.93915       2.724771  59.77210       2.804562  -1.176987      2.562182  
1 1 1 9   16 49 o 21.28261 0.9992825 4.535934       0.4241095 4.917054       0.6294028 4.218975       0.5739838 1.626244       1.998565  
1 1 1 9   16 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   17 0  o 140.8373 1.506880  198.1978       4.239421  192.9854       5.826980  204.0597       6.179425  -3.926071      3.013760  
1 1 1 9   17 1  o 238.2580 2.494549  567.8475       11.87155  585.0969       17.32477  552.5787       16.29988  6.797226       4.989097  
1 1 1 9   17 2  o 238.4222 2.496158  568.6548       11.88724  585.6849       17.34957  553.5864       16.31984  6.703964       4.992317  
1 1 1 9   17 3  o 180.0835 1.900616  324.3076       6.839067  332.4680       9.930676  316.9456       9.432354  4.299500       3.801231  
1 1 1 9   17 4  f 241.0182 2.522804  581.5815       12.15246  570.1002       16.81688  594.1299       17.58093  -4.963730      5.045609  
1 1 1 9   17 5  o 143.4029 1.532084  205.7959       4.394068  205.3555       6.199021  206.2406       6.229391  -0.3080902     3.064168  
1 1 1 9   17 6  f 62.09746 0.7689676 37.58559       0.9385380 33.59936       1.199451  43.88012       1.507244  -8.275169      1.537935  
1 1 1 9   17 7  o 164.6645 1.744510  271.2850       5.742687  266.9753       7.981833  275.9099       8.268526  -2.706955      3.489021  
1 1 1 9   17 8  o 83.26405 0.9556538 69.04916       1.586825  73.23560       2.356043  65.57349       2.146751  4.598557       1.911308  
1 1 1 9   17 9  o 95.12077 1.061884  90.28194       2.016250  94.18755       2.965095  86.92274       2.749871  3.815628       2.123769  
1 1 1 9   17 10 o 73.62611 0.8669323 54.09057       1.274063  52.21317       1.737376  56.27477       1.873961  -2.756523      1.733865  
1 1 1 9   17 11 o 179.0011 2.300543  323.0544       7.856188  327.6036       9.780499  314.7813       13.18945  3.702393       4.601085  
1 1 1 9   17 12 o 57.40646 0.9822868 32.95685       1.127435  32.49164       1.570862  33.45108       1.619099  -0.8348885     1.964574  
1 1 1 9   17 13 o 31.78798 0.7426534 9.960868       0.4687015 8.703915       0.6217095 11.61590       0.7133977 -4.579157      1.485307  
1 1 1 9   17 14 o 56.00105 0.9696016 31.35976       1.085618  30.70248       1.511778  32.05958       1.559946  -1.210766      1.939203  
1 1 1 9   17 15 o 60.38941 1.325068  35.65734       1.528857  39.33664       2.632935  33.78572       1.877876  4.574329       2.650137  
1 1 1 9   17 16 o 58.58179 0.7505003 34.28133       0.8785532 35.51429       1.275337  33.16779       1.212004  2.001652       1.501001  
1 1 1 9   17 17 o 145.9164 1.562318  213.1156       4.556060  208.8889       6.301647  217.7447       6.594831  -3.022751      3.124636  
1 1 1 9   17 18 o 37.42721 0.6334553 13.98682       0.4735180 15.06176       0.6846725 13.00128       0.6555853 2.752113       1.266911  
1 1 1 9   17 19 f 57.79724 0.7446525 33.40216       0.8604008 32.78176       1.195535  34.06872       1.239222  -1.112289      1.489305  
1 1 1 9   17 20 o 49.39791 0.6888304 24.41268       0.6805325 24.42123       0.9610537 24.40408       0.9637890 0.1742935E-01  1.377661  
1 1 1 9   17 21 o 18.15923 0.6960546 3.297796       0.2525756 3.109864       0.3533081 3.494234       0.3612146 -1.058128      1.392109  
1 1 1 9   17 22 o 61.31472 0.7796201 37.09036       0.9472592 33.90385       1.241201  41.53516       1.465922  -6.215546      1.559240  
1 1 1 9   17 23 o 52.95348 0.9321144 28.72021       0.9264331 26.13028       1.578060  30.08227       1.144401  -3.749416      1.864229  
1 1 1 9   17 24 o 104.5906 1.679515  109.6647       3.509746  106.7467       4.835053  112.9149       5.102827  -2.927246      3.359030  
1 1 1 9   17 25 o 41.76231 1.177476  17.45854       0.9834825 17.45854       0.9834825 ?              ?         ?              ?         
1 1 1 9   17 26 o 33.65294 0.6395075 11.20605       0.4279576 12.90401       0.6439177 9.862624       0.5727593 4.516289       1.279015  
1 1 1 9   17 27 o 54.23051 0.7371945 29.34554       0.7981071 30.91571       1.172912  27.99168       1.089127  2.692364       1.474389  
1 1 1 9   17 28 o 67.78531 0.8382136 45.95071       1.135442  47.39550       1.646943  44.64191       1.567516  2.026733       1.676427  
1 1 1 9   17 29 f 77.94144 0.9238022 60.72325       1.437809  63.06459       2.105753  58.67826       1.967972  2.804924       1.847604  
1 1 1 9   17 30 o 61.42959 0.7902973 37.78163       0.9708896 38.07894       1.382671  37.49245       1.363618  0.4762535      1.580595  
1 1 1 9   17 31 o 84.84128 0.9886512 71.99547       1.674994  74.73717       2.452485  69.59846       2.293135  3.015396       1.977302  
1 1 1 9   17 32 o 40.93162 0.6808410 16.69124       0.5559633 18.27468       0.8188133 15.33683       0.7572878 3.584984       1.361682  
1 1 1 9   17 33 o 50.82824 0.7319334 25.86726       0.7439417 26.29036       1.063619  25.46201       1.040933  0.8131752      1.463867  
1 1 1 9   17 34 o 69.20709 0.8653783 47.98388       1.197479  47.20962       1.669867  48.80356       1.718148  -1.147163      1.730757  
1 1 1 9   17 35 f 99.71948 1.126989  99.80847       2.246899  101.1877       3.227727  98.51173       3.129729  1.329216       2.253978  
1 1 1 9   17 36 o 74.68851 0.9069178 55.44734       1.347092  51.49133       1.792556  60.58018       2.041847  -6.056709      1.813836  
1 1 1 9   17 37 o 28.61326 0.6885237 8.169711       0.3931516 8.693035       0.5799735 7.724776       0.5347735 1.687843       1.377047  
1 1 1 9   17 38 o 43.54578 0.7021572 18.99578       0.6113872 18.44727       0.8593468 19.55801       0.8700160 -1.274342      1.404314  
1 1 1 9   17 39 o 76.16447 0.9274754 58.18659       1.412454  56.79591       1.971368  59.65355       2.024723  -1.868744      1.854951  
1 1 1 9   17 40 o 54.37488 0.7672609 29.62485       0.8338525 30.07328       1.204675  29.21239       1.155361  0.7858734      1.534522  
1 1 1 9   17 41 o 74.26526 1.374023  55.51426       2.035333  57.55293       3.010984  53.79893       2.761908  2.468582       2.748047  
1 1 1 9   17 42 o 16.51330 0.9266968 2.747686       0.3043738 2.640556       0.4495968 2.838330       0.4135572 -0.6047058     1.853394  
1 1 1 9   17 43 o 11.85408 1.209844  1.426095       0.2830891 1.345816       0.4296633 1.487677       0.3763165 -0.6101789     2.419688  
1 1 1 9   17 44 o 51.25901 0.9866956 26.36661       1.010432  27.55351       1.471630  25.30802       1.389810  2.174278       1.973391  
1 1 1 9   17 45 o 28.37294 0.8962300 8.042445       0.5069913 8.725581       0.7538668 7.478334       0.6850514 2.184566       1.792460  
1 1 1 9   17 46 o 37.01552 0.8992475 13.76489       0.6653157 13.92645       0.9601051 13.61564       0.9228002 0.4124451      1.798495  
1 1 1 9   17 47 o 71.98446 1.225473  52.33538       1.764295  52.24892       2.491424  52.42236       2.498770  -0.1183472     2.450945  
1 1 1 9   17 48 o 41.11702 0.9250305 17.00836       0.7606655 17.03462       1.080455  16.98254       1.071093  0.6116486E-01  1.850061  
1 1 1 9   17 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   18 0  o 114.8641 1.250715  131.7293       2.868252  127.5770       3.920064  136.5136       4.207851  -3.885750      2.501430  
1 1 1 9   18 1  f 276.9393 2.893132  768.9879       16.02123  777.6031       22.93325  760.7750       22.39136  3.019165       5.786265  
1 1 1 9   18 2  o 63.12254 0.7821248 39.78248       0.9860913 38.55460       1.353100  41.17322       1.440045  -2.073383      1.564250  
1 1 1 9   18 3  o 288.9753 3.018291  837.7089       17.44188  845.4523       24.91221  830.2635       24.42801  2.609161       6.036582  
1 1 1 9   18 4  o 173.4968 1.835538  301.3375       6.368160  304.5307       9.105113  298.2798       8.909936  1.796600       3.671075  
1 1 1 9   18 5  o 153.3077 1.632974  234.1998       4.987842  223.6692       6.711415  247.1923       7.454746  -7.654663      3.265949  
1 1 1 9   18 6  o 210.8454 2.216103  445.3961       9.343544  441.1767       13.07217  449.8034       13.36006  -2.036224      4.432206  
1 1 1 9   18 7  o 230.3939 2.415845  532.1677       11.13173  533.9737       15.79840  530.3868       15.68747  0.7742615      4.831690  
1 1 1 9   18 8  o 175.6804 1.858607  308.9823       6.527903  304.4479       9.082569  313.8276       9.388741  -2.660416      3.717213  
1 1 1 9   18 9  o 78.87816 0.9164490 61.96184       1.441315  65.72546       2.143119  58.85378       1.947543  4.352913       1.832898  
1 1 1 9   18 10 o 193.6870 2.042008  375.5342       7.903299  385.0052       11.46829  366.9679       10.90675  4.635956       4.084017  
1 1 1 9   18 11 o 94.61052 1.060832  89.35175       2.003455  86.30080       2.733168  92.89476       2.945342  -3.480370      2.121664  
1 1 1 9   18 12 o 58.52259 1.028693  32.60923       1.126498  38.95551       2.056124  29.88724       1.346582  7.731972       2.057387  
1 1 1 9   18 13 o 240.7992 3.280613  583.3544       15.44996  581.3279       19.85870  586.4619       24.59124  -0.7118378     6.561226  
1 1 1 9   18 14 o 158.5235 1.824111  251.5985       5.714999  250.0592       7.515468  253.7091       8.800184  -1.093521      3.648221  
1 1 1 9   18 15 o 148.4474 1.942029  220.0893       5.419063  218.3346       6.604704  223.7038       9.479394  -1.657715      3.884059  
1 1 1 9   18 16 o 150.1666 2.255598  225.8398       6.757928  217.7115       9.182671  235.4439       9.981539  -5.849274      4.511196  
1 1 1 9   18 17 f 44.86190 0.8626803 19.97524       0.7707785 22.10728       1.155143  18.26415       1.034843  4.279865       1.725361  
1 1 1 9   18 18 o 58.51537 0.8877155 34.40170       1.007287  33.70787       1.630557  34.82988       1.280933  -0.9692688     1.775431  
1 1 1 9   18 19 o 144.7227 1.553703  208.3235       4.468201  196.2780       5.928917  224.1583       6.797805  -9.581436      3.107406  
1 1 1 9   18 20 o 45.56290 0.8941673 19.74490       0.7098210 22.90454       1.455907  18.75966       0.8129916 4.524174       1.788335  
1 1 1 9   18 21 o 140.7776 2.171449  198.4019       6.089717  189.0551       8.186730  209.9799       9.111651  -7.341034      4.342898  
1 1 1 9   18 22 o 90.73175 1.294423  82.14835       2.178066  81.55466       2.623081  83.46655       3.908613  -0.9760208     2.588845  
1 1 1 9   18 23 o 93.57559 1.461152  87.34657       2.722707  82.93266       3.651307  92.87476       4.086282  -5.279999      2.922303  
1 1 1 9   18 24 o 33.35415 0.6370771 11.08169       0.4240059 10.34907       0.5767742 11.94318       0.6254488 -2.388004      1.274154  
1 1 1 9   18 25 o 85.22270 0.9857114 72.58607       1.677554  75.46072       2.455955  70.07176       2.296868  3.152885       1.971423  
1 1 1 9   18 26 o 43.43055 0.6752018 18.83988       0.5859008 19.80463       0.8514309 17.97214       0.8074920 2.107834       1.350404  
1 1 1 9   18 27 o 90.46986 1.035605  81.93304       1.872285  84.11303       2.715071  79.95644       2.585314  2.287827       2.071209  
1 1 1 9   18 28 o 38.95002 0.6614570 15.07531       0.5134193 16.66772       0.7649606 13.76995       0.6925905 3.716484       1.322914  
1 1 1 9   18 29 o 72.76629 0.8851590 53.03829       1.288135  53.42683       1.832480  52.65875       1.811105  0.5262756      1.770318  
1 1 1 9   18 30 o 9.654648 1.266500  0.9968725      0.2328272 0.6615379      0.3412738 1.288845       0.3184452 -3.369260      2.533001  
1 1 1 9   18 31 o 34.50745 0.6672559 11.89186       0.4598283 12.81278       0.6680504 11.06272       0.6338845 2.533634       1.334512  
1 1 1 9   18 32 o 20.54296 0.7413054 4.184639       0.3007150 5.227951       0.4484246 3.332025       0.4053769 4.611261       1.482611  
1 1 1 9   18 33 o 104.8221 1.177153  110.3031       2.467183  111.8553       3.538371  108.8344       3.441876  1.428757       2.354306  
1 1 1 9   18 34 o 50.77052 0.7370675 25.81297       0.7482696 26.53172       1.069173  25.12295       1.047583  1.385548       1.474135  
1 1 1 9   18 35 o 10.87985 1.214639  1.206288       0.2517375 1.600177       0.3715089 0.8718961      0.3423031 3.491370       2.429278  
1 1 1 9   18 36 o 54.95850 0.7597153 30.14042       0.8327158 31.97567       1.235425  28.61244       1.127269  3.048752       1.519431  
1 1 1 9   18 37 o 73.39297 0.9041382 53.51171       1.319172  49.44189       1.752059  58.83881       2.004501  -6.370140      1.808276  
1 1 1 9   18 38 o 9.354370 1.393983  0.9074162      0.2516038 1.005995       0.3771123 0.8283321      0.3377724 0.9226923      2.787965  
1 1 1 9   18 39 o 17.70359 1.795580  3.137362       0.6278065 3.432647       0.9839268 2.934593       0.8153493 1.359610       3.591160  
1 1 1 9   18 40 o 70.84365 0.8937206 50.34788       1.265488  51.38187       1.828989  49.39826       1.752784  1.388168       1.787441  
1 1 1 9   18 41 o 32.62292 0.7110506 10.57055       0.4613090 11.60142       0.6993505 9.776535       0.6137735 2.786182       1.422101  
1 1 1 9   18 42 o 36.50193 0.7870630 13.13601       0.5585682 14.32992       0.9198568 12.43863       0.7030231 2.559032       1.574126  
1 1 1 9   18 43 o 59.27880 1.062944  35.18827       1.256176  37.52156       1.870040  33.26971       1.695728  3.549393       2.125887  
1 1 1 9   18 44 o 18.11427 1.019445  3.307219       0.3678545 3.243769       0.5421379 3.361356       0.5007709 -0.3337631     2.038890  
1 1 1 9   18 45 o 52.50222 1.001418  27.60962       1.048584  29.43394       1.555875  26.09141       1.419355  3.153049       2.002836  
1 1 1 9   18 46 o 24.52919 0.9281727 6.053065       0.4548926 6.010197       0.6568630 6.092569       0.6305726 -0.1736469     1.856345  
1 1 1 9   18 47 o 35.25594 0.8967515 12.50070       0.6322567 12.50122       0.9003435 12.50019       0.8880747 -0.1285553E-02 1.793503  
1 1 1 9   18 48 o 23.77742 1.404376  0.000000       0.000000  ?              ?         5.693329       0.6678488 ?              ?         
1 1 1 9   19 0  o 137.6115 1.477102  189.4263       4.063091  185.9610       5.635035  193.1788       5.863957  -2.617203      2.954204  
1 1 1 9   19 1  o 229.3020 2.404677  527.0455       11.02589  521.6274       15.41626  532.7193       15.77588  -2.404892      4.809353  
1 1 1 9   19 2  o 147.3101 1.572502  217.2010       4.632124  219.5972       6.624510  214.9083       6.479522  1.587845       3.145004  
1 1 1 9   19 3  o 116.2221 1.654960  134.9964       3.752261  134.1221       4.796104  136.3758       6.024521  -0.9365387     3.309920  
1 1 1 9   19 4  o 40.60534 1.034413  16.31960       0.8351859 14.85714       1.110851  18.22120       1.266696  -4.139690      2.068825  
1 1 1 9   19 5  o 70.29944 1.242687  49.37783       1.745043  47.94394       2.396908  50.99504       2.545517  -2.166855      2.485374  
1 1 1 9   19 6  o 162.8051 2.464898  265.8835       8.025589  264.4685       11.28507  267.3315       11.41585  -0.8733063     4.929797  
1 1 1 9   19 7  o 122.2445 1.899491  149.6596       4.641873  147.2373       6.447729  152.2659       6.688066  -2.047653      3.798982  
1 1 1 9   19 8  o 212.6654 3.185986  455.0250       13.55074  456.6724       19.23223  453.4008       19.09579  0.7599182      6.371971  
1 1 1 9   19 9  o 51.25203 1.078321  26.28288       1.105129  26.98703       1.572901  25.59639       1.553064  1.356186       2.156641  
1 1 1 9   19 10 o 64.92101 0.8018883 41.99642       1.038692  44.59806       1.535395  39.80109       1.410414  3.692101       1.603777  
1 1 1 9   19 11 o 66.17273 0.8094045 43.31634       1.063520  47.89841       1.627538  39.90175       1.404976  6.037712       1.618809  
1 1 1 9   19 12 o 75.84652 0.8921047 57.55920       1.353177  57.26649       1.901282  57.85965       1.926327  -0.3904114     1.784209  
1 1 1 9   19 13 o 104.4031 1.155043  108.0739       2.393553  101.1383       3.159579  117.4147       3.666753  -7.777283      2.310086  
1 1 1 9   19 14 o 77.79158 0.9090958 60.55829       1.414359  60.96281       2.009540  60.16121       1.991002  0.5146790      1.818192  
1 1 1 9   19 15 o 64.34576 0.7975401 40.98946       1.018744  38.03632       1.344791  44.96661       1.560624  -5.379368      1.595080  
1 1 1 9   19 16 o 71.38858 0.8551208 50.96471       1.220293  49.93144       1.693194  52.08147       1.760269  -1.503830      1.710242  
1 1 1 9   19 17 o 98.89160 1.389874  95.17370       2.477414  104.5528       4.757008  91.68311       2.902030  6.405220       2.779748  
1 1 1 9   19 18 o 70.91131 1.796368  50.38521       2.547656  50.38521       2.547656  ?              ?         ?              ?         
1 1 1 9   19 19 o 58.10673 1.419368  33.80776       1.649497  33.80776       1.649497  ?              ?         ?              ?         
1 1 1 9   19 20 o 60.46191 1.028351  36.52639       1.241590  35.20608       1.699177  38.03889       1.818652  -2.336758      2.056702  
1 1 1 9   19 21 o 66.75716 1.108279  44.64430       1.479711  44.62985       2.091918  44.65878       2.093338  -0.2158356E-01 2.216559  
1 1 1 9   19 22 o 75.52354 1.074737  56.77046       1.539305  58.29056       2.651813  55.99799       1.890388  1.474274       2.149474  
1 1 1 9   19 23 o 91.74940 1.046483  84.32527       1.920283  84.26766       2.715511  84.38291       2.715869  -0.6278229E-01 2.092965  
1 1 1 9   19 24 f 35.49705 0.6567037 12.40912       0.4623357 14.77144       0.7041578 10.61902       0.6129688 5.845310       1.313407  
1 1 1 9   19 25 o 36.59315 0.6546655 13.39540       0.4789758 13.15735       0.6672688 13.64845       0.6879529 -0.6700859     1.309331  
1 1 1 9   19 26 o 27.34604 0.6685867 7.415303       0.3634934 6.402582       0.4903039 8.651175       0.5416351 -4.108971      1.337173  
1 1 1 9   19 27 o 58.34086 0.7723634 34.06453       0.9009005 33.51258       1.254408  34.65248       1.294678  -0.9745750     1.544727  
1 1 1 9   19 28 o 48.43870 0.7093532 23.47984       0.6870056 23.04364       0.9576277 23.94240       0.9861453 -0.9260483     1.418706  
1 1 1 9   19 29 o 89.79501 1.035149  80.79361       1.858033  79.20814       2.577266  82.50943       2.681121  -1.828606      2.070298  
1 1 1 9   19 30 o 78.15379 0.9358552 61.19489       1.462190  62.43843       2.105514  60.03651       2.032136  1.529785       1.871710  
1 1 1 9   19 31 o 47.61155 0.7178323 22.51426       0.6802621 20.82236       0.9092138 24.66570       1.025282  -4.027390      1.435665  
1 1 1 9   19 32 o 101.1771 1.146510  102.7903       2.319982  103.1603       3.290935  102.4247       3.271056  0.3609772      2.293021  
1 1 1 9   19 33 o 36.51223 0.6894616 13.17629       0.5001280 15.23756       0.7587516 11.59269       0.6650503 4.983551       1.378923  
1 1 1 9   19 34 o 34.92357 0.6933036 12.19068       0.4835821 13.11449       0.7013062 11.35327       0.6677070 2.518528       1.386607  
1 1 1 9   19 35 f 61.31326 0.8133066 37.68781       0.9973177 37.93642       1.413851  37.44161       1.407014  0.4027519      1.626613  
1 1 1 9   19 36 o 87.76012 1.028332  76.84486       1.797077  72.26094       2.408396  82.60305       2.699313  -5.849815      2.056663  
1 1 1 9   19 37 o 27.19945 1.352710  7.460427       0.7291204 7.407834       1.106352  7.500809       0.9694256 -0.1980152     2.705421  
1 1 1 9   19 38 o 19.54246 0.8133017 3.825422       0.3172606 3.909056       0.4654369 3.752839       0.4336013 0.3955326      1.626603  
1 1 1 9   19 39 o 75.92291 0.9337478 57.89197       1.417828  57.38816       2.002480  58.39845       2.007753  -0.6644745     1.867496  
1 1 1 9   19 40 o 39.86455 0.7228663 15.78790       0.5734106 17.42689       0.8657407 14.50696       0.7653561 3.649464       1.445733  
1 1 1 9   19 41 o 70.35486 1.108424  49.76154       1.540145  50.20814       2.377768  49.43873       2.021526  0.4725113      2.216847  
1 1 1 9   19 42 f 13.98585 1.166422  1.987125       0.3235601 1.764966       0.4693755 2.188281       0.4466370 -1.518628      2.332844  
1 1 1 9   19 43 f 9.289022 1.671767  0.9199860      0.3131915 0.7670671      0.4615241 1.050514       0.4263978 -1.386475      3.343533  
1 1 1 9   19 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   19 45 o 26.98610 0.9101467 7.321330       0.4896378 6.556441       0.6827188 8.131450       0.7026145 -2.913904      1.820293  
1 1 1 9   19 46 o 37.24542 0.9019426 13.92235       0.6711490 14.73354       0.9749189 13.19161       0.9253183 2.058788       1.803885  
1 1 1 9   19 47 o 15.36157 3.350065  0.000000       0.000000  ?              ?         2.543065       1.000718  ?              ?         
1 1 1 9   20 0  o 127.3879 1.376754  161.9865       3.499243  156.0881       4.755410  168.9518       5.167602  -5.037338      2.753507  
1 1 1 9   20 1  o 81.69403 0.9438168 66.77416       1.542060  66.68658       2.174109  66.86282       2.187558  -0.1075974     1.887634  
1 1 1 9   20 2  o 182.5284 1.929304  333.8712       7.042084  337.0949       10.05984  330.7736       9.861153  1.723282       3.858608  
1 1 1 9   20 3  o 66.86448 0.8184025 44.26418       1.086960  48.64265       1.659813  40.97654       1.438267  5.728531       1.636805  
1 1 1 9   20 4  o 166.9230 1.771918  279.1557       5.914729  281.7348       8.445721  276.6732       8.285946  1.509689       3.543835  
1 1 1 9   20 5  o 83.56340 0.9586008 69.72610       1.599474  67.47801       2.188050  72.30605       2.343988  -2.885323      1.917202  
1 1 1 9   20 6  o 73.07446 0.8666447 53.36782       1.265412  52.14608       1.745036  54.72274       1.837682  -1.761070      1.733289  
1 1 1 9   20 7  o 103.9808 1.151945  108.0945       2.393210  105.4705       3.297242  111.0159       3.479096  -2.661110      2.303890  
1 1 1 9   20 8  o 90.77585 1.027317  82.37000       1.863556  84.85596       2.703617  80.11978       2.572221  2.604980       2.054635  
1 1 1 9   20 9  o 59.77701 0.7611716 35.75085       0.9099973 35.94573       1.286150  35.55550       1.287713  0.3264427      1.522343  
1 1 1 9   20 10 o 173.5307 1.842843  301.4811       6.386101  311.8766       9.345814  292.3760       8.746561  5.583725       3.685685  
1 1 1 9   20 11 o 106.3987 1.175820  113.0636       2.496885  109.1412       3.401603  117.6460       3.676675  -3.985962      2.351639  
1 1 1 9   20 12 o 40.69630 0.6464111 16.38994       0.5232397 18.78289       0.7868640 14.49305       0.7005752 5.268665       1.292822  
1 1 1 9   20 13 o 15.97566 0.7393562 2.557128       0.2358836 2.417756       0.3355968 2.693215       0.3316183 -0.8622236     1.478712  
1 1 1 9   20 14 o 89.40482 1.274635  79.30564       2.104542  82.08440       3.822850  78.09727       2.520941  2.165108       2.549271  
1 1 1 9   20 15 o 142.3313 2.193503  203.7684       6.243762  202.6365       8.776878  204.9281       8.884125  -0.7948151     4.387006  
1 1 1 9   20 16 o 85.39082 1.228584  73.64912       1.976105  74.86142       2.428279  71.27206       3.400270  2.154625       2.457168  
1 1 1 9   20 17 o 22.21598 0.6539308 4.928427       0.2900467 4.534706       0.4013027 5.359056       0.4196908 -1.854744      1.307862  
1 1 1 9   20 18 o 59.32434 0.7742223 35.13885       0.9174227 36.94562       1.339348  33.54179       1.259219  2.865780       1.548445  
1 1 1 9   20 19 o 51.88462 0.7193274 26.64587       0.7418618 29.68863       1.127961  24.32627       0.9848438 5.162201       1.438655  
1 1 1 9   20 20 o 36.06227 0.6452509 13.01100       0.4653353 13.27370       0.6625211 12.75523       0.6537338 0.7185555      1.290502  
1 1 1 9   20 21 o 93.83707 1.068789  87.72217       1.998128  93.69231       2.989654  82.90248       2.686201  5.730904       2.137578  
1 1 1 9   20 22 o 52.85221 0.8888886 27.94257       0.9272892 27.79065       1.215335  28.15422       1.434523  -0.3319473     1.777777  
1 1 1 9   20 23 o 31.50098 0.7734043 9.878152       0.4858542 10.87917       0.7181107 9.033121       0.6597912 2.927034       1.546809  
1 1 1 9   20 24 o 59.52728 1.024919  35.50317       1.220040  35.19951       1.708389  35.81923       1.742924  -0.5180511     2.049838  
1 1 1 9   20 25 o 83.11295 1.156422  69.92908       1.863735  66.49152       2.991640  72.10942       2.382571  -3.431763      2.312845  
1 1 1 9   20 26 o 14.69959 0.8670679 2.181376       0.2527773 1.897354       0.3628141 2.449292       0.3523766 -1.878131      1.734136  
1 1 1 9   20 27 o 91.96086 1.054576  84.63838       1.936809  81.92972       2.654356  87.72266       2.832433  -3.133202      2.109151  
1 1 1 9   20 28 o 81.60432 0.9649286 66.62873       1.572529  64.42680       2.154196  69.14060       2.300823  -2.874474      1.929857  
1 1 1 9   20 29 o 29.92508 0.6781590 8.970241       0.4057194 9.102799       0.5685670 8.832711       0.5791264 0.4520206      1.356318  
1 1 1 9   20 30 o 68.84362 0.8637013 47.06462       1.181833  43.78232       1.568522  51.37522       1.797508  -5.493179      1.727403  
1 1 1 9   20 31 o 95.61996 1.095964  91.71338       2.094578  93.94093       3.028630  89.67111       2.899921  2.216286       2.191928  
1 1 1 9   20 32 o 69.64632 0.8784891 48.62189       1.223316  49.29416       1.755530  47.98732       1.705609  0.9327240      1.756978  
1 1 1 9   20 33 o 20.12786 0.7851039 4.061382       0.3156753 4.322720       0.4494366 3.806917       0.4434875 1.280691       1.570208  
1 1 1 9   20 34 o 51.31110 0.8317443 25.88815       0.8288866 28.48764       1.371047  24.39075       1.040588  3.954563       1.663489  
1 1 1 9   20 35 o 19.35464 1.870473  3.800214       0.7236717 3.809468       1.008117  3.790375       1.039455  0.5784607E-01  3.740945  
1 1 1 9   20 36 o 13.63312 1.005620  1.869664       0.2737031 1.796735       0.3939245 1.937733       0.3805703 -0.5191212     2.011240  
1 1 1 9   20 37 f 43.36576 0.7123843 18.85423       0.6177523 18.51091       0.8756776 19.19436       0.8716040 -0.7884941     1.424769  
1 1 1 9   20 38 o 31.97071 0.7151013 10.19347       0.4560022 11.03444       0.6754889 9.489334       0.6180953 2.409203       1.430203  
1 1 1 9   20 39 o 62.74888 0.9744476 38.87084       1.156710  41.68005       2.022217  37.50473       1.410187  3.221123       1.948895  
1 1 1 9   20 40 o 39.20412 0.8691148 15.43123       0.6814151 15.26210       0.9572304 15.60499       0.9702340 -0.4351234     1.738230  
1 1 1 9   20 41 o 28.22791 0.8512615 7.986966       0.4798923 7.407096       0.6648297 8.617768       0.6934125 -2.139566      1.702523  
1 1 1 9   20 42 o 28.21680 0.8734162 8.002379       0.4927195 7.909320       0.7039000 8.091782       0.6899311 -0.3260479     1.746832  
1 1 1 9   20 43 o 40.08783 0.8981947 16.15076       0.7200835 16.27935       1.025713  16.02580       1.011147  0.3133240      1.796389  
1 1 1 9   20 44 o 29.50860 1.011890  8.612856       0.5812581 8.130622       0.7328003 9.431032       0.9545103 -2.149426      2.023780  
1 1 1 9   20 45 o 36.35087 0.8879849 13.27762       0.6453484 13.74712       0.9259522 12.83413       0.8999250 1.250095       1.775970  
1 1 1 9   20 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   21 0  o 79.25327 0.9243107 62.52739       1.459697  59.28420       1.964579  66.52446       2.180987  -4.562347      1.848621  
1 1 1 9   21 1  o 107.6947 1.186058  115.4710       2.543374  109.7342       3.409669  122.6670       3.818741  -5.990822      2.372116  
1 1 1 9   21 2  o 33.39266 0.6238227 10.82561       0.4103673 9.159809       0.5289132 13.34496       0.6504532 -6.264381      1.247645  
1 1 1 9   21 3  o 86.65353 0.9897950 74.96643       1.712101  72.35392       2.335744  78.00004       2.516950  -3.252525      1.979590  
1 1 1 9   21 4  o 74.03107 0.8765364 54.75353       1.296153  53.18346       1.779521  56.52778       1.891690  -2.255684      1.753073  
1 1 1 9   21 5  o 67.95569 0.8232192 46.12218       1.117293  44.66992       1.531968  47.77243       1.633055  -2.280075      1.646438  
1 1 1 9   21 6  f 64.44109 0.7958680 41.31174       1.022125  44.39133       1.525818  38.80479       1.376667  4.330692       1.591736  
1 1 1 9   21 7  o 124.5383 1.352538  155.3640       3.368766  154.8771       4.743939  155.8593       4.784631  -0.3924637     2.705076  
1 1 1 9   21 8  o 146.7606 1.571803  215.9011       4.613549  216.4519       6.538120  215.3548       6.511051  0.3723145      3.143607  
1 1 1 9   21 9  o 89.64379 1.019419  80.38195       1.826785  82.38004       2.634710  78.53210       2.535097  2.142609       2.038838  
1 1 1 9   21 10 o 22.51482 0.9773660 5.395986       0.3686475 4.483454       0.7359558 5.701643       0.4259360 -2.716221      1.954732  
1 1 1 9   21 11 o 188.5103 2.854049  357.9251       10.73790  371.8616       15.80828  345.9866       14.63130  6.721710       5.708099  
1 1 1 9   21 12 f 29.19965 1.142364  8.501782       0.6639439 8.172943       0.8895269 8.915436       0.9976675 -1.265932      2.284728  
1 1 1 9   21 13 o 146.9666 1.935968  219.0044       5.429541  223.8732       6.777586  210.2822       9.071501  4.822144       3.871935  
1 1 1 9   21 14 o 105.3948 1.170957  111.2821       2.468253  111.4576       3.492253  111.1068       3.489024  0.1662369      2.341913  
1 1 1 9   21 15 f 90.43933 1.032542  81.66375       1.863198  78.51218       2.531761  85.38721       2.751902  -3.789772      2.065083  
1 1 1 9   21 16 o 28.31804 0.7471240 7.908902       0.4200528 9.187755       0.6401833 6.942081       0.5566303 3.961872       1.494248  
1 1 1 9   21 17 o 16.84281 0.7438154 2.839647       0.2504101 2.825224       0.3599016 2.853181       0.3486340 -0.8344269E-01 1.487631  
1 1 1 9   21 18 o 91.71182 1.045502  84.20953       1.916945  82.74446       2.666088  85.77757       2.758195  -1.648293      2.091003  
1 1 1 9   21 19 o 49.11874 0.7150059 24.11774       0.7019743 25.19127       1.012643  23.12464       0.9739688 2.102093       1.430012  
1 1 1 9   21 20 o 60.59187 0.7895247 36.20298       0.9476140 32.96462       1.239791  40.75299       1.469577  -6.415188      1.579049  
1 1 1 9   21 21 o 22.45805 0.6867384 5.045972       0.3083722 4.891143       0.4312012 5.208049       0.4411781 -0.7050686     1.373477  
1 1 1 9   21 22 o 25.95865 0.6641945 6.741265       0.3445719 6.667490       0.4769929 6.821781       0.4983017 -0.2961941     1.328389  
1 1 1 9   21 23 o 47.73507 0.7108275 22.79836       0.6782439 22.45567       0.9407451 23.16930       0.9787464 -0.7454491     1.421655  
1 1 1 9   21 24 f 30.45043 0.6614566 9.206820       0.4010202 10.48717       0.5963460 8.149889       0.5418230 3.834871       1.322913  
1 1 1 9   21 25 o 78.48543 1.111461  62.41669       1.692260  64.54129       2.166618  59.09281       2.709978  3.523293       2.222922  
1 1 1 9   21 26 o 13.10846 1.028415  1.703745       0.2669902 2.079199       0.3994756 1.400634       0.3589324 2.584282       2.056830  
1 1 1 9   21 27 o 27.39970 0.7970706 7.343996       0.4311292 6.011562       0.5650652 9.200169       0.6669376 -5.810278      1.594141  
1 1 1 9   21 28 o 19.53850 0.8611417 3.812768       0.3358904 4.129911       0.4910344 3.533867       0.4604781 1.522495       1.722283  
1 1 1 9   21 29 o 77.19980 0.9384928 59.33997       1.442394  55.50222       1.930277  64.19235       2.170496  -5.602516      1.876986  
1 1 1 9   21 30 f 82.49971 0.9823950 68.25356       1.620387  66.98190       2.255692  69.60949       2.329224  -1.583641      1.964790  
1 1 1 9   21 31 f 40.41619 0.7012376 16.22054       0.5643194 18.25700       0.8441945 14.57541       0.7587606 4.546745       1.402475  
1 1 1 9   21 32 o 65.40987 1.117263  42.04616       1.299744  45.06063       2.535410  40.97157       1.513784  2.973789       2.234527  
1 1 1 9   21 33 f 37.03872 1.320124  13.69433       0.9672855 16.82362       1.436705  11.09979       1.308204  7.702923       2.640248  
1 1 1 9   21 34 o 40.72570 0.7132266 16.42818       0.5773553 14.86855       0.7667255 18.47072       0.8774341 -4.410896      1.426453  
1 1 1 9   21 35 o 51.38704 0.7606018 26.40656       0.7806680 27.89349       1.139753  25.09245       1.071470  2.717239       1.521204  
1 1 1 9   21 36 o 25.61756 0.7516829 6.561449       0.3837031 5.808221       0.5284269 7.401527       0.5580611 -3.105927      1.503366  
1 1 1 9   21 37 o 24.45923 0.7746168 6.013205       0.3762761 5.887540       0.5633870 6.114398       0.5055659 -0.4716301     1.549234  
1 1 1 9   21 38 o 35.50198 0.8177152 12.67017       0.5794756 11.87754       0.8250935 13.44166       0.8140231 -2.204517      1.635430  
1 1 1 9   21 39 o 48.29276 0.9412641 23.43290       0.9090330 23.79126       1.296612  23.08650       1.274799  0.7256126      1.882528  
1 1 1 9   21 40 o 13.49933 1.295994  1.953841       0.3175884 1.182622       0.4526075 2.701856       0.4457466 -5.786900      2.591988  
1 1 1 9   21 41 o 25.46057 0.8724154 6.513406       0.4442420 6.502732       0.6288140 6.524044       0.6276938 -0.4206848E-01 1.744831  
1 1 1 9   21 42 o 48.72529 0.9564040 23.82939       0.9308531 24.92292       1.358682  22.86205       1.277880  2.097202       1.912808  
1 1 1 9   21 43 f 55.54056 1.036800  31.04951       1.151090  30.12856       1.596900  32.04557       1.660750  -1.709396      2.073599  
1 1 1 9   21 44 o 46.49798 1.172400  21.27078       1.011428  23.31293       1.844054  20.39211       1.209605  2.960922       2.344799  
1 1 1 9   21 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   22 0  o 74.24883 0.8831157 55.12847       1.310773  56.49198       1.889981  53.86482       1.819456  1.767029       1.766231  
1 1 1 9   22 1  o 36.02582 0.6305044 12.96227       0.4534765 12.64812       0.6200269 13.32359       0.6649526 -0.9365005     1.261009  
1 1 1 9   22 2  o 44.73594 0.6631211 19.70360       0.5877810 17.77095       0.7697268 22.40693       0.9103533 -5.178200      1.326242  
1 1 1 9   22 3  o 24.91096 0.6307241 6.214646       0.3138667 6.384998       0.4373165 6.033677       0.4507367 0.7054615      1.261448  
1 1 1 9   22 4  o 46.25256 0.6730181 21.39348       0.6222149 21.12910       0.8631662 21.67946       0.8977411 -0.5940666     1.346036  
1 1 1 9   22 5  o 112.3987 1.234515  126.0247       2.766159  132.8600       4.116810  120.3988       3.734895  5.524452       2.469031  
1 1 1 9   22 6  o 40.67791 0.8469782 16.82014       0.6341824 15.89089       1.132312  17.24486       0.7655137 -1.677017      1.693956  
1 1 1 9   22 7  o 74.38515 1.305408  54.88000       1.929841  60.52628       2.937657  50.59336       2.559641  6.655045       2.610815  
1 1 1 9   22 8  o 63.32122 1.192171  40.13752       1.508852  39.35628       2.089982  40.98797       2.180579  -1.283581      2.384342  
1 1 1 9   22 9  o 100.5175 1.414264  98.31933       2.557331  94.70650       2.991858  108.1182       4.927256  -6.548615      2.828528  
1 1 1 9   22 10 o 45.06096 0.6695228 20.18253       0.6013820 22.21064       0.8941869 18.50756       0.8126179 4.106426       1.339046  
1 1 1 9   22 11 o 46.85769 0.6805061 21.97214       0.6376858 22.20234       0.8994686 21.73950       0.9041978 0.4940300      1.361012  
1 1 1 9   22 12 o 124.6279 1.357615  155.1681       3.374396  162.9084       5.003740  148.7117       4.569942  5.665977       2.715230  
1 1 1 9   22 13 o 49.91741 0.9056696 24.94431       0.9040325 24.76149       1.265530  25.13482       1.291867  -0.3726997     1.811339  
1 1 1 9   22 14 o 12.74258 1.044154  1.698245       0.2311506 0.8310430      0.3130223 2.738260       0.3427953 -7.596678      2.088308  
1 1 1 9   22 15 o 54.19148 0.7351979 29.39206       0.7967680 29.39689       1.119924  29.38712       1.133804  0.9578705E-02  1.470396  
1 1 1 9   22 16 o 111.5613 1.234633  124.3128       2.746883  130.6033       4.074629  119.0724       3.719035  5.142479       2.469265  
1 1 1 9   22 17 o 77.89569 0.9250987 60.61843       1.438758  63.28103       2.111284  58.30990       1.965909  3.182411       1.850197  
1 1 1 9   22 18 o 86.37399 0.9991435 74.63962       1.724328  77.18625       2.506864  72.35278       2.375567  2.788940       1.998287  
1 1 1 9   22 19 o 83.95595 0.9796053 70.35903       1.640380  67.29121       2.222550  74.02977       2.431157  -3.998817      1.959211  
1 1 1 9   22 20 o 57.47636 0.7660339 33.06899       0.8804259 32.78283       1.231736  33.36792       1.258930  -0.5074844     1.532068  
1 1 1 9   22 21 o 67.92529 0.8466797 46.01955       1.147265  48.87761       1.698612  43.62206       1.555741  3.859055       1.693359  
1 1 1 9   22 22 o 88.55109 1.023011  78.59526       1.811566  79.38531       2.585843  77.83378       2.538690  0.8720169      2.046021  
1 1 1 9   22 23 o 61.22449 0.7968431 37.19873       0.9701836 40.78455       1.471074  34.43853       1.290655  5.169754       1.593686  
1 1 1 9   22 24 o 35.17610 0.6683993 12.37048       0.4698125 13.11357       0.6781526 11.68470       0.6514803 2.029282       1.336799  
1 1 1 9   22 25 o 81.05128 0.9654796 65.87255       1.565047  65.71346       2.206785  66.03352       2.219895  -0.1961212     1.930959  
1 1 1 9   22 26 o 57.02164 0.7764708 32.57400       0.8855127 32.55156       1.252254  32.59645       1.252354  -0.3935242E-01 1.552942  
1 1 1 9   22 27 f 45.04213 0.7088553 20.24987       0.6372919 19.21801       0.8683599 21.45445       0.9382229 -2.476955      1.417711  
1 1 1 9   22 28 f 72.53609 0.8993686 52.75277       1.304480  52.36598       1.824197  53.15755       1.866144  -0.5410614     1.798737  
1 1 1 9   22 29 o 58.00852 1.021782  33.71127       1.183821  32.55124       1.623295  35.02907       1.730162  -2.121586      2.043564  
1 1 1 9   22 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   22 31 o 57.83728 1.448713  33.58990       1.675793  33.58990       1.675793  ?              ?         ?              ?         
1 1 1 9   22 32 o 74.50671 1.097108  54.47300       1.533168  59.55312       2.737924  52.15231       1.850513  4.825409       2.194215  
1 1 1 9   22 33 o 16.48529 0.8973776 2.730155       0.2952538 2.520737       0.4166427 2.941411       0.4184673 -1.275660      1.794755  
1 1 1 9   22 34 o 36.83218 0.7148866 13.51251       0.5248177 15.09946       0.7764071 12.17734       0.7121569 3.959064       1.429773  
1 1 1 9   22 35 o 57.04930 0.8099305 32.59049       0.9230669 33.94388       1.345298  31.38648       1.268879  2.230484       1.619861  
1 1 1 9   22 36 o 66.31346 0.9889356 44.16336       1.310581  44.87778       1.897037  43.51104       1.812721  1.015633       1.977871  
1 1 1 9   22 37 o 43.98617 0.8980536 19.41796       0.7895849 19.03804       1.094516  19.83024       1.140166  -0.8926811     1.796107  
1 1 1 9   22 38 o 13.47357 1.142623  1.836122       0.3063376 1.635892       0.4355113 2.032207       0.4309779 -1.471742      2.285245  
1 1 1 9   22 39 f 26.06012 0.8625041 6.779207       0.4477259 6.006854       0.6085629 7.690529       0.6610485 -3.220400      1.725008  
1 1 1 9   22 40 o 78.41542 1.294489  62.10635       2.029612  63.23040       2.911872  61.04427       2.830469  1.370705       2.588978  
1 1 1 9   22 41 o 59.26003 1.062763  35.35038       1.259008  36.32254       1.814503  34.44780       1.748350  1.565403       2.125527  
1 1 1 9   22 42 o 22.15662 1.129241  4.540394       0.4640513 6.091818       0.8762082 3.935596       0.5470759 4.771482       2.258482  
1 1 1 9   22 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   23 0  o 82.16293 0.9534276 67.40341       1.563546  64.89431       2.130633  70.33142       2.301632  -3.301407      1.906855  
1 1 1 9   23 1  o 38.16457 0.6471582 14.11214       0.4857457 12.02210       0.6223681 17.36951       0.7769682 -7.001190      1.294316  
1 1 1 9   23 2  o 46.24690 0.8747329 20.40594       0.7207431 23.62470       1.426631  19.30286       0.8351613 4.649307       1.749466  
1 1 1 9   23 3  o 53.68866 1.112502  28.85647       1.194266  29.68788       1.710540  28.06575       1.668152  1.508522       2.225004  
1 1 1 9   23 4  o 42.64969 1.055895  18.12778       0.8977355 17.17078       1.211394  19.29364       1.337069  -2.482525      2.111789  
1 1 1 9   23 5  o 53.15604 0.9406009 28.14026       0.9022341 27.94592       1.064819  28.63490       1.698817  -0.6203651     1.881202  
1 1 1 9   23 6  o 49.47192 0.6975600 24.31115       0.6875727 26.73399       1.027510  22.34653       0.9252577 4.430820       1.395120  
1 1 1 9   23 7  o 108.8993 1.205019  118.7151       2.622349  116.0611       3.621313  121.6412       3.802438  -2.551125      2.410037  
1 1 1 9   23 8  o 73.38010 0.8850836 53.27899       1.289064  58.96706       1.977524  49.07617       1.699848  6.726791       1.770167  
1 1 1 9   23 9  o 42.16101 0.8337191 17.77968       0.7027246 18.39591       1.010334  17.20219       0.9780572 1.414249       1.667438  
1 1 1 9   23 10 o 40.10207 0.6571532 16.07957       0.5268517 16.65629       0.7571389 15.53819       0.7335812 1.393230       1.314306  
1 1 1 9   23 11 o 12.44445 0.8998592 1.552352       0.2234370 1.683344       0.3171661 1.423290       0.3148222 1.044745       1.799718  
1 1 1 9   23 12 o 57.47115 0.7552865 33.03273       0.8675311 32.38493       1.200233  33.74141       1.255373  -1.177769      1.510573  
1 1 1 9   23 13 o 108.1714 1.200681  117.1071       2.594160  113.8047       3.560482  120.8440       3.787419  -3.237350      2.401362  
1 1 1 9   23 14 f 102.0270 1.141480  104.2739       2.327979  102.3016       3.228956  106.4087       3.359437  -2.003029      2.282960  
1 1 1 9   23 15 o 27.84151 0.6397601 7.729665       0.3544125 8.901464       0.5172353 6.692578       0.4865965 3.965532       1.279520  
1 1 1 9   23 16 o 29.78391 0.6422876 8.842784       0.3816596 9.748964       0.5583205 8.047894       0.5229139 2.854094       1.284575  
1 1 1 9   23 17 o 44.04025 0.6828990 19.09407       0.5965013 22.27919       0.9156137 16.74542       0.7862478 6.276325       1.365798  
1 1 1 9   23 18 o 78.23985 0.9296336 61.30059       1.454062  60.36142       2.021260  62.30793       2.093342  -1.238739      1.859267  
1 1 1 9   23 19 o 63.43594 0.8110341 40.29008       1.028802  41.04953       1.471268  39.56342       1.439155  1.169193       1.622068  
1 1 1 9   23 20 o 56.96521 0.7625617 32.49201       0.8686612 32.24860       1.216284  32.74544       1.241035  -0.4344635     1.525123  
1 1 1 9   23 21 o 69.72148 0.8654596 48.69905       1.206716  49.27079       1.720569  48.14556       1.692877  0.8047256      1.730919  
1 1 1 9   23 22 o 91.49843 1.053278  83.81234       1.924462  81.06471       2.634184  86.95757       2.818340  -3.200584      2.106555  
1 1 1 9   23 23 o 13.91331 0.9253315 1.937801       0.2572812 2.043318       0.3716991 1.840748       0.3564791 0.7264996      1.850663  
1 1 1 9   23 24 f 13.21633 0.9507081 1.753865       0.2506704 1.715481       0.3653727 1.787997       0.3445463 -0.2764874     1.901416  
1 1 1 9   23 25 o 32.50569 0.6832021 10.43408       0.4410212 9.123353       0.5857705 12.14935       0.6700966 -4.647923      1.366404  
1 1 1 9   23 26 o 71.35084 0.8879633 50.96439       1.265660  49.40305       1.739595  52.72044       1.844868  -2.313278      1.775927  
1 1 1 9   23 27 o 61.29012 1.279984  37.58739       1.563290  35.52752       2.104197  40.12502       2.335504  -3.712109      2.559968  
1 1 1 9   23 28 o 52.43060 1.085258  27.66658       1.096814  27.81470       1.380413  27.41295       1.806369  0.4450607      2.170516  
1 1 1 9   23 29 o 55.85927 0.7826415 31.17522       0.8724626 29.79565       1.187126  32.79558       1.286561  -2.674458      1.565283  
1 1 1 9   23 30 o 26.27239 0.7198128 6.921840       0.3779479 7.176216       0.5320813 6.662786       0.5369501 0.9776421      1.439626  
1 1 1 9   23 31 o 81.77182 0.9885275 67.07729       1.615648  68.92487       2.336270  65.38383       2.236723  2.150482       1.977055  
1 1 1 9   23 32 o 8.993170 1.419475  0.8456396      0.2504138 1.061872       0.3625484 0.6483681      0.3462880 2.224828       2.838950  
1 1 1 9   23 33 o 12.71782 1.214459  1.604041       0.2876475 2.398494       0.4466237 1.040922       0.3760174 5.458390       2.428917  
1 1 1 9   23 34 o 30.34715 0.8208531 9.229070       0.4978942 9.587519       0.7196525 8.899964       0.6895680 1.128445       1.641706  
1 1 1 9   23 35 o 67.36224 1.146599  45.68742       1.544713  46.09948       2.192364  45.28117       2.176826  0.6040955      2.293197  
1 1 1 9   23 36 o 54.74734 1.004887  29.98446       1.097113  32.28177       1.628874  28.07687       1.484289  3.811440       2.009774  
1 1 1 9   23 37 f 12.27141 1.288087  1.568579       0.3024686 1.330327       0.4478676 1.768373       0.4101297 -1.960021      2.576174  
1 1 1 9   23 38 o 45.98045 0.9273434 21.23133       0.8521839 20.60929       1.178211  21.91374       1.234068  -1.406944      1.854687  
1 1 1 9   23 39 o 57.08899 1.037481  32.81555       1.184511  32.83434       1.666840  32.79637       1.683590  0.3717804E-01  2.074961  
1 1 1 9   23 40 o 23.12033 1.126902  5.198593       0.4812541 5.897033       0.8910847 4.910978       0.5718216 2.045866       2.253803  
1 1 1 9   23 41 o 63.99473 1.591428  41.31667       2.036860  41.31667       2.036860  ?              ?         ?              ?         
1 1 1 9   23 42 o 42.81981 1.318420  0.000000       0.000000  ?              ?         18.44927       1.129090  ?              ?         
1 1 1 9   24 0  f 156.6399 2.076699  245.7712       6.071733  243.7279       7.352819  250.1514       10.76534  -1.685364      4.153398  
1 1 1 9   24 1  o 61.16619 0.7860972 37.13449       0.9559550 34.74051       1.270688  40.25628       1.451042  -4.501350      1.572194  
1 1 1 9   24 2  o 86.71781 0.9992501 75.31026       1.732944  75.08871       2.435400  75.53749       2.466399  -0.2571106     1.998500  
1 1 1 9   24 3  o 98.59930 1.426073  95.87815       2.711043  103.5794       4.552067  91.64510       3.374846  5.961990       2.852146  
1 1 1 9   24 4  o 108.6575 1.675602  118.5695       3.641231  118.1162       5.126736  119.0309       5.172524  -0.4167328     3.351203  
1 1 1 9   24 5  o 20.12423 0.7006464 4.065372       0.2809858 4.421977       0.3949644 3.699932       0.3998280 1.794157       1.401293  
1 1 1 9   24 6  o 45.20601 0.6857399 20.41385       0.6191323 19.78623       0.8490033 21.12674       0.9048314 -1.480537      1.371480  
1 1 1 9   24 7  o 93.11903 1.058589  86.86604       1.971433  86.56080       2.775029  87.17706       2.801210  -0.3293152     2.117178  
1 1 1 9   24 8  o 67.57338 0.8365042 45.43414       1.125543  42.88924       1.508357  48.63161       1.690725  -4.239937      1.673008  
1 1 1 9   24 9  o 110.7013 1.225193  122.8383       2.712046  124.5038       3.883658  121.2530       3.788922  1.460999       2.450386  
1 1 1 9   24 10 f 75.06406 0.8987409 56.41054       1.348830  55.64390       1.879269  57.22509       1.937114  -1.049774      1.797482  
1 1 1 9   24 11 o 52.85958 0.7288761 27.94145       0.7698765 27.32040       1.062298  28.62851       1.117324  -1.234547      1.457752  
1 1 1 9   24 12 o 69.88086 0.8556363 48.70413       1.192435  46.39960       1.613840  51.47504       1.769620  -3.622131      1.711273  
1 1 1 9   24 13 o 126.1369 1.377251  159.6330       3.473070  157.2799       4.831275  162.1496       4.996202  -1.914368      2.754502  
1 1 1 9   24 14 o 60.35282 0.7827996 36.45454       0.9446562 37.27478       1.353982  35.67661       1.318612  1.321968       1.565599  
1 1 1 9   24 15 o 81.98186 0.9624963 67.17532       1.575067  64.70927       2.147840  70.04436       2.316693  -3.240891      1.924993  
1 1 1 9   24 16 o 52.04490 0.7275955 27.04538       0.7560751 25.87119       1.033170  28.39924       1.109398  -2.424103      1.455191  
1 1 1 9   24 17 f 62.18023 0.8044288 38.55074       0.9978145 41.18476       1.477379  36.34140       1.353049  3.885941       1.608858  
1 1 1 9   24 18 f 69.68355 0.8622878 48.60152       1.200939  49.99738       1.737748  47.32534       1.661578  1.911217       1.724576  
1 1 1 9   24 19 o 50.25257 0.7284916 24.96277       0.7272217 28.35997       1.108726  22.39773       0.9634104 5.921730       1.456983  
1 1 1 9   24 20 f 63.26152 0.8157502 40.09850       1.032075  40.07836       1.453242  40.11900       1.465990  -0.3104401E-01 1.631500  
1 1 1 9   24 21 o 23.19928 0.7116168 5.319342       0.3262571 4.280665       0.4369980 6.627388       0.4904002 -5.053740      1.423234  
1 1 1 9   24 22 o 64.49132 0.8268015 41.67617       1.066315  41.35570       1.494916  42.00810       1.521426  -0.5033493     1.653603  
1 1 1 9   24 23 o 20.44452 0.7650996 4.174336       0.3076360 3.212911       0.4196156 5.291627       0.4523524 -5.080883      1.530199  
1 1 1 9   24 24 o 28.40475 1.026576  7.189314       0.4729480 9.720204       1.109220  6.626967       0.5228575 5.370586       2.053153  
1 1 1 9   24 25 o 47.15337 1.216872  22.35710       1.147388  22.35430       1.607546  22.36000       1.638192  -0.1125336E-02 2.433744  
1 1 1 9   24 26 o 18.51653 0.8088359 3.433506       0.2986796 3.805525       0.4303012 3.087621       0.4149124 1.936861       1.617672  
1 1 1 9   24 27 o 13.50637 1.005522  1.845232       0.2684884 1.523924       0.3795336 2.167104       0.3798664 -2.380981      2.011044  
1 1 1 9   24 28 o 47.68031 0.7448222 22.61853       0.7076288 24.98562       1.055813  20.68809       0.9534708 4.495483       1.489644  
1 1 1 9   24 29 o 48.62101 0.7420138 23.68471       0.7213874 24.22139       1.033377  23.17456       1.007507  1.073647       1.484028  
1 1 1 9   24 30 o 60.58960 0.8212724 36.72853       0.9935131 38.45466       1.458021  35.23233       1.357444  2.645596       1.642545  
1 1 1 9   24 31 o 40.21032 0.7242122 16.20149       0.5822099 15.87413       0.8102776 16.55089       0.8371162 -0.8381157     1.448424  
1 1 1 9   24 32 o 40.19536 0.7567427 16.11208       0.6047243 15.42455       0.8054080 17.00053       0.9155614 -1.945679      1.513485  
1 1 1 9   24 33 o 48.05946 0.8943427 23.02418       0.8525792 21.96084       1.125085  24.45841       1.306641  -2.568752      1.788685  
1 1 1 9   24 34 o 51.85596 0.9708914 26.97398       1.005643  25.93769       1.380126  28.14701       1.468357  -2.113441      1.941783  
1 1 1 9   24 35 o 47.08057 0.9336345 22.23640       0.8783298 23.32750       1.274406  21.24919       1.212218  2.195454       1.867269  
1 1 1 9   24 36 o 23.70339 0.8730565 5.644322       0.4134406 5.294844       0.5791742 6.007447       0.5903734 -1.500988      1.746113  
1 1 1 9   24 37 o 65.61258 1.133849  43.39449       1.487813  43.21288       2.091413  43.58058       2.116991  -0.2737808     2.267697  
1 1 1 9   24 38 o 65.66486 1.610695  0.000000       0.000000  ?              ?         43.48886       2.115321  ?              ?         
1 1 1 9   24 39 o 61.13389 1.529706  37.68581       1.870337  37.68581       1.870337  ?              ?         ?              ?         
1 1 1 9   24 40 o 69.66187 1.188281  48.99187       1.655385  49.71759       2.361746  48.29100       2.320923  1.012085       2.376562  
1 1 1 9   25 0  o 39.29866 0.8491190 15.31175       0.6637355 14.03745       0.8840646 16.95793       1.004814  -3.709450      1.698238  
1 1 1 9   25 1  o 95.64470 1.304017  92.31763       2.394182  89.71428       3.961540  93.81563       3.005071  -2.221138      2.608033  
1 1 1 9   25 2  o 42.57212 0.6764668 17.88736       0.5715033 16.15763       0.7531840 20.23480       0.8774224 -4.783150      1.352934  
1 1 1 9   25 3  o 25.44937 0.6671114 6.476654       0.3394088 6.269538       0.4721225 6.698185       0.4882781 -0.8414421     1.334223  
1 1 1 9   25 4  f 96.86765 1.097827  93.50184       2.117141  88.66893       2.835299  99.59258       3.182945  -5.612457      2.195654  
1 1 1 9   25 5  f 15.06102 0.8197875 2.266998       0.2466990 2.162390       0.3402196 2.382985       0.3582481 -0.7313080     1.639575  
1 1 1 9   25 6  o 68.31284 0.8437809 46.65480       1.151719  48.51335       1.674159  44.98494       1.586897  2.577362       1.687562  
1 1 1 9   25 7  o 27.54019 0.6595815 7.591191       0.3632924 7.595889       0.5122079 7.586434       0.5153527 0.1731110E-01  1.319163  
1 1 1 9   25 8  o 42.36564 0.6717952 17.90706       0.5682723 16.93299       0.7771048 19.02665       0.8331343 -2.468292      1.343590  
1 1 1 9   25 9  o 101.7648 1.142151  103.4850       2.318333  99.33922       3.142620  108.4351       3.433953  -4.444984      2.284303  
1 1 1 9   25 10 o 109.5807 1.218081  120.4632       2.669558  120.6855       3.779491  120.2419       3.771173  0.2016373      2.436161  
1 1 1 9   25 11 o 136.2074 1.479081  185.7339       4.016625  177.9878       5.428640  195.1042       5.970703  -6.218811      2.958162  
1 1 1 9   25 12 f 29.90395 0.6527066 8.959896       0.3899992 9.280640       0.5469413 8.628129       0.5562612 1.091516       1.305413  
1 1 1 9   25 13 o 18.60289 0.7508121 3.444028       0.2765475 2.812318       0.3762277 4.186508       0.4078815 -3.691462      1.501624  
1 1 1 9   25 14 o 38.58366 0.6742850 14.88826       0.5198956 15.77009       0.7476587 14.06267       0.7234266 2.211163       1.348570  
1 1 1 9   25 15 o 33.77289 0.6628562 11.33780       0.4461200 10.29474       0.6026046 12.60277       0.6636171 -3.413132      1.325712  
1 1 1 9   25 16 o 21.05596 0.7201158 4.440368       0.3030460 4.659780       0.4309710 4.225773       0.4262121 1.030252       1.440232  
1 1 1 9   25 17 o 53.97878 0.7492248 29.18365       0.8088040 29.59959       1.148304  28.77415       1.139392  0.7639046      1.498450  
1 1 1 9   25 18 o 18.73100 0.7587663 3.503144       0.2830934 3.975429       0.4123480 3.082072       0.3893502 2.382851       1.517533  
1 1 1 9   25 19 o 15.67598 0.8649841 2.494121       0.2633237 1.783026       0.3665577 3.252395       0.3785225 -4.685571      1.729968  
1 1 1 9   25 20 o 33.05872 0.6761965 10.86874       0.4455154 9.932544       0.6014157 12.00723       0.6632159 -3.132992      1.352393  
1 1 1 9   25 21 o 30.81980 1.014181  9.188643       0.5207940 10.16099       1.127889  8.925157       0.5871316 1.939669       2.028362  
1 1 1 9   25 22 o 59.95866 1.264106  36.04264       1.512655  34.43809       2.058816  37.92483       2.229840  -2.879692      2.528212  
1 1 1 9   25 23 f 42.84478 0.7055268 18.39065       0.6043696 18.35810       0.8437541 18.42495       0.8660994 -0.7590103E-01 1.411054  
1 1 1 9   25 24 o 50.45778 0.7482486 25.51705       0.7550219 25.69449       1.062521  25.33607       1.073081  0.3562469      1.496497  
1 1 1 9   25 25 o 28.97346 0.7027103 8.419222       0.4068122 8.731979       0.5709220 8.096640       0.5798200 1.097305       1.405421  
1 1 1 9   25 26 f 19.01610 0.8019201 3.624031       0.3044777 3.344156       0.4251682 3.918671       0.4362383 -1.509306      1.603840  
1 1 1 9   25 27 o 14.34810 0.9891711 2.053369       0.2725642 2.932567       0.4092082 1.352245       0.3654249 5.500730       1.978342  
1 1 1 9   25 28 o 7.202756 1.421357  0.5124107      0.2410465 0.1139501      0.3488255 0.8765732      0.3334748 -3.910545      2.842714  
1 1 1 9   25 29 o 9.878321 1.343439  1.069966       0.2558870 0.5166394      0.3684692 1.585403       0.3556300 -5.363475      2.686877  
1 1 1 9   25 30 o 32.06322 0.7385086 10.32738       0.4725668 11.02273       0.6650141 9.618070       0.6716561 2.191313       1.477017  
1 1 1 9   25 31 o 27.60666 0.8087004 7.609502       0.4453107 7.136869       0.6034184 8.174743       0.6598928 -1.871420      1.617401  
1 1 1 9   25 32 o 32.45780 0.8389691 10.56194       0.5442535 11.06037       0.7858517 10.10250       0.7544875 1.470425       1.677938  
1 1 1 9   25 33 o 20.80083 0.8894047 4.320578       0.3688819 4.783176       0.5452288 3.930086       0.5009367 2.042711       1.778809  
1 1 1 9   25 34 o 21.52516 0.8997176 4.590968       0.3839775 5.530853       0.5800078 3.857649       0.5123219 3.873194       1.799435  
1 1 1 9   25 35 o 51.27626 0.9690104 26.44410       0.9937002 26.70551       1.413345  26.18857       1.397400  0.5006714      1.938021  
1 1 1 9   25 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   25 37 o 22.40319 0.8917893 5.007070       0.3978249 5.691528       0.5913683 4.441260       0.5376754 2.778492       1.783579  
1 1 1 9   25 38 o 34.11775 0.8615993 11.62923       0.5861012 10.59038       0.7951637 12.86503       0.8672664 -3.318306      1.723199  
1 1 1 9   25 39 o 25.31560 2.213700  0.000000       0.000000  ?              ?         6.522178       1.120823  ?              ?         
1 1 1 9   26 0  o 20.38919 0.7528156 4.069959       0.3025873 3.245870       0.3985226 5.191749       0.4649663 -4.768253      1.505631  
1 1 1 9   26 1  o 143.5546 1.886075  208.4587       5.155916  210.4759       6.399670  204.7278       8.703623  2.315521       3.772150  
1 1 1 9   26 2  o 33.98560 0.8227223 11.48219       0.5571333 10.52857       0.7503738 12.65372       0.8316981 -3.121544      1.645445  
1 1 1 9   26 3  o 113.5718 1.750464  129.6109       3.970180  125.8234       5.440000  133.9273       5.807351  -3.518425      3.500927  
1 1 1 9   26 4  o 74.58650 1.219800  55.81420       1.819535  55.60278       2.559608  56.03017       2.587035  -0.2838669     2.439599  
1 1 1 9   26 5  o 56.89392 0.8855716 32.84303       0.9918932 29.58466       1.495992  35.39917       1.325017  -5.122089      1.771143  
1 1 1 9   26 6  o 115.6090 1.277966  134.0573       2.953023  131.3132       4.089609  137.0468       4.268548  -2.460876      2.555931  
1 1 1 9   26 7  f 13.93111 0.9043185 1.949595       0.2511052 2.125703       0.3540784 1.771407       0.3561637 1.271759       1.808637  
1 1 1 9   26 8  o 143.8625 1.556666  208.1860       4.478906  208.0093       6.326305  208.3635       6.341981  -0.1209869     3.113332  
1 1 1 9   26 9  o 71.48186 0.8755602 51.08549       1.249755  49.35355       1.710146  53.07056       1.830864  -2.590561      1.751120  
1 1 1 9   26 10 o 103.1843 1.160120  106.6623       2.390807  103.5609       3.278944  110.1828       3.493467  -3.185677      2.320240  
1 1 1 9   26 11 o 107.7349 1.203297  116.4205       2.590681  113.9066       3.579227  119.1868       3.754616  -2.430008      2.406594  
1 1 1 9   26 12 o 60.70171 0.7989099 36.30276       0.9594067 32.98016       1.249702  41.07176       1.497203  -6.644855      1.597820  
1 1 1 9   26 13 o 74.43673 0.9020089 55.53912       1.342825  55.98028       1.905715  55.10410       1.892436  0.5872955      1.804018  
1 1 1 9   26 14 o 35.67822 0.6705255 12.74754       0.4784170 12.84731       0.6736408 12.64600       0.6795657 0.2825394      1.341051  
1 1 1 9   26 15 o 39.80803 0.6871639 15.86784       0.5467464 15.81475       0.7592202 15.92503       0.7880158 -0.1363602     1.374328  
1 1 1 9   26 16 o 84.54725 0.9941940 71.70962       1.681123  71.89635       2.377317  71.52285       2.377616  0.2209167      1.988388  
1 1 1 9   26 17 o 50.44720 0.7366576 25.44107       0.7421670 24.53609       1.016737  26.47323       1.085832  -1.913944      1.473315  
1 1 1 9   26 18 o 22.94180 1.583794  5.196038       0.7183126 4.566869       0.9337474 6.108159       1.124273  -3.321785      3.167587  
1 1 1 9   26 19 o 93.82468 1.601802  88.63685       3.000572  85.30410       4.099415  92.48291       4.403820  -3.762589      3.203604  
1 1 1 9   26 20 o 63.57061 0.8308343 40.44556       1.054885  39.21236       1.446799  41.84523       1.541353  -2.060291      1.661669  
1 1 1 9   26 21 o 21.57586 0.7798868 4.624192       0.3286479 3.374709       0.4422325 6.165489       0.4911661 -6.462267      1.559774  
1 1 1 9   26 22 o 22.48042 0.7388317 5.064480       0.3320208 4.853373       0.4669239 5.280401       0.4722176 -0.9492321     1.477663  
1 1 1 9   26 23 o 35.80300 0.6926804 12.83344       0.4957280 13.44206       0.7115312 12.25936       0.6910481 1.649609       1.385361  
1 1 1 9   26 24 o 67.19742 0.8669304 45.28938       1.165015  45.93999       1.660066  44.65799       1.635372  0.9507446      1.733861  
1 1 1 9   26 25 o 72.87569 0.9082385 53.20027       1.322072  55.30528       1.930327  51.34044       1.814434  2.703659       1.816477  
1 1 1 9   26 26 o 33.98856 0.7033205 11.44357       0.4752416 10.08389       0.6346501 13.17926       0.7170557 -4.543633      1.406641  
1 1 1 9   26 27 o 63.10196 0.8405858 39.92716       1.060366  40.99927       1.528162  38.93166       1.472551  1.630074       1.681172  
1 1 1 9   26 28 o 28.46091 0.7662201 7.972066       0.4303696 7.248235       0.5564041 9.050055       0.6790136 -3.148766      1.532440  
1 1 1 9   26 29 o 25.86827 0.7902120 6.736036       0.4069169 6.993392       0.5559713 6.439125       0.5971698 1.077311       1.580424  
1 1 1 9   26 30 o 23.55501 0.8656186 5.568031       0.4076264 5.688072       0.5868059 5.456088       0.5666633 0.4890060      1.731237  
1 1 1 9   26 31 o 70.78328 1.188490  50.41547       1.680537  52.31807       2.450052  48.72498       2.309452  2.504478       2.376979  
1 1 1 9   26 32 f 48.40449 0.9451852 23.24494       0.9080304 26.19399       1.393329  21.06778       1.197174  5.254143       1.890370  
1 1 1 9   26 33 o 30.77065 1.020459  9.055758       0.5827511 10.80358       1.080114  8.338074       0.6921297 3.919228       2.040919  
1 1 1 9   26 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   26 35 o 33.08372 0.8515726 10.95734       0.5623085 11.91869       0.8238434 10.11886       0.7693945 2.708738       1.703145  
1 1 1 9   26 36 o 40.24371 0.8802252 16.26933       0.7081576 15.77333       0.9842195 16.80174       1.019695  -1.269993      1.760450  
1 1 1 9   26 37 o 36.62342 0.8788831 13.32957       0.6396334 14.92873       0.9740297 12.11707       0.8481372 3.810883       1.757766  
1 1 1 9   27 0  o 42.26513 0.6823668 17.87917       0.5766603 18.45683       0.8226370 17.32107       0.8085862 1.342762       1.364734  
1 1 1 9   27 1  o 37.14494 0.6657958 13.79811       0.4942650 13.43294       0.6833925 14.19864       0.7157201 -1.028736      1.331592  
1 1 1 9   27 2  o 8.500605 1.417345  0.7384908      0.2391573 0.5416799      0.3204454 0.9859536      0.3593225 -2.480307      2.834689  
1 1 1 9   27 3  o 24.06411 0.6858239 5.776696       0.3294572 5.424531       0.4498660 6.184044       0.4838316 -1.575911      1.371648  
1 1 1 9   27 4  o 53.06928 0.7369062 28.20488       0.7820516 28.17958       1.097456  28.23097       1.114722  -0.4719162E-01 1.473812  
1 1 1 9   27 5  o 27.50144 0.6734797 7.550492       0.3696893 7.236593       0.5037344 7.916920       0.5442528 -1.234180      1.346959  
1 1 1 9   27 6  o 82.53713 1.179943  66.40661       1.791906  63.51926       2.127164  73.46278       3.325331  -5.881042      2.359887  
1 1 1 9   27 7  o 64.85771 1.100579  42.11647       1.425143  40.64091       1.947227  43.81861       2.091399  -2.433285      2.201159  
1 1 1 9   27 8  o 69.23933 1.155612  48.00130       1.597065  46.20704       2.176743  50.09332       2.350426  -2.785393      2.311223  
1 1 1 9   27 9  o 73.63059 1.208087  54.32113       1.775847  52.40562       2.425085  56.53598       2.607700  -2.781479      2.416173  
1 1 1 9   27 10 o 15.34618 0.9135296 2.368080       0.2792527 2.268360       0.4085046 2.455559       0.3826118 -0.6124659     1.827059  
1 1 1 9   27 11 o 28.85798 0.6793625 8.259886       0.3901941 7.366086       0.5238106 9.374159       0.5848584 -3.474625      1.358725  
1 1 1 9   27 12 f 59.93681 0.7965376 35.99579       0.9548002 36.43494       1.356206  35.56421       1.344453  0.7252922      1.593075  
1 1 1 9   27 13 o 19.90667 0.7715486 3.911941       0.3024849 3.050460       0.4039403 5.011736       0.4564048 -4.921421      1.543097  
1 1 1 9   27 14 o 77.97838 1.201362  60.55121       1.716210  62.50960       3.158905  59.73107       2.044219  1.620056       2.402723  
1 1 1 9   27 15 o 37.07393 1.220791  13.84085       0.9019526 15.28547       1.282059  12.42518       1.269146  3.855545       2.441582  
1 1 1 9   27 16 o 54.92790 1.029805  30.36193       1.013261  30.45234       1.193368  30.12836       1.918071  0.3908195      2.059610  
1 1 1 9   27 17 o 43.18346 0.7077322 18.58826       0.6096765 20.21167       0.9008094 17.21606       0.8281871 3.461521       1.415464  
1 1 1 9   27 18 o 55.34380 0.7732461 30.62394       0.8547468 32.23405       1.248564  29.20379       1.172598  2.729641       1.546492  
1 1 1 9   27 19 o 38.55199 0.6954427 14.79625       0.5344821 13.62325       0.7223125 16.21575       0.7945901 -3.355240      1.390885  
1 1 1 9   27 20 o 48.40322 0.7368511 23.46692       0.7128695 23.10359       0.9877815 23.86184       1.029832  -0.7787476     1.473702  
1 1 1 9   27 21 f 16.49404 0.8738614 2.740254       0.2870877 2.521271       0.4128651 2.945262       0.3994727 -1.287002      1.747723  
1 1 1 9   27 22 o 57.74116 0.7979637 33.36158       0.9204710 35.04736       1.340618  31.85808       1.266063  2.752468       1.595927  
1 1 1 9   27 23 o 38.70277 0.7127340 15.00052       0.5513430 14.62335       0.7632299 15.41213       0.7973201 -1.014950      1.425468  
1 1 1 9   27 24 o 58.16317 0.8075497 33.93997       0.9392714 34.00046       1.318413  33.87762       1.338475  0.1084366      1.615099  
1 1 1 9   27 25 o 45.68385 0.7407465 20.86200       0.6756170 19.83643       0.9227033 22.04737       0.9919882 -2.410774      1.481493  
1 1 1 9   27 26 f 92.94666 1.166969  87.14778       2.156914  88.58758       2.913049  85.40050       3.209066  1.776268       2.333938  
1 1 1 9   27 27 o 54.15772 0.9420846 29.16845       1.005279  27.81890       1.300869  31.16916       1.583913  -3.042713      1.884169  
1 1 1 9   27 28 o 13.42636 1.141571  1.839248       0.3024590 1.610567       0.4465089 2.033152       0.4111579 -1.581638      2.283142  
1 1 1 9   27 29 o 70.99222 1.189616  50.66649       1.685544  48.69425       2.295580  52.97366       2.482857  -2.968468      2.379232  
1 1 1 9   27 30 o 70.47713 1.187228  50.11188       1.673440  50.27558       2.371382  49.94949       2.361850  0.2288208      2.374457  
1 1 1 9   27 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   27 32 o 51.81982 0.9798018 26.96247       1.014358  28.38487       1.476043  25.68959       1.396312  2.582680       1.959604  
1 1 1 9   27 33 o 45.18285 0.9168428 20.49640       0.8277252 21.46358       1.202446  19.62536       1.141121  2.020382       1.833686  
1 1 1 9   27 34 o 18.91242 0.9411776 3.609221       0.3549322 3.342906       0.5073670 3.864459       0.4967029 -1.381348      1.882355  
1 1 1 9   27 35 o 22.32852 0.9081790 4.986785       0.4043488 5.388223       0.6008076 4.654412       0.5466872 1.630974       1.816358  
1 1 1 9   28 0  f 31.32286 0.6763770 9.822825       0.4235332 9.764178       0.5894530 9.885417       0.6089558 -0.1921291     1.352754  
1 1 1 9   28 1  o 33.65291 0.6736799 11.32197       0.4524372 12.41976       0.6533780 10.31065       0.6271154 3.131737       1.347360  
1 1 1 9   28 2  o 67.52487 0.8482144 45.63195       1.144638  47.38889       1.658655  44.03445       1.581615  2.476799       1.696429  
1 1 1 9   28 3  o 42.47112 0.6935203 18.02714       0.5882608 19.42241       0.8520502 16.75633       0.8131643 3.135750       1.387041  
1 1 1 9   28 4  o 73.35680 0.8971730 53.90944       1.315448  52.91375       1.822164  54.99313       1.900988  -1.409439      1.794346  
1 1 1 9   28 5  o 27.09362 0.6941720 7.346693       0.3738925 8.480302       0.5401658 6.303991       0.5180547 4.014551       1.388344  
1 1 1 9   28 6  o 51.35673 0.7420816 26.41267       0.7620333 27.23101       1.088568  25.62627       1.067108  1.560509       1.484163  
1 1 1 9   28 7  o 42.54061 0.6997418 18.12463       0.5951698 18.74472       0.8466130 17.51875       0.8368660 1.440140       1.399484  
1 1 1 9   28 8  o 65.59006 0.8389080 42.88131       1.096709  46.03965       1.635962  40.30343       1.478001  4.356800       1.677816  
1 1 1 9   28 9  o 38.11199 0.6850939 14.53988       0.5220010 14.23159       0.7258858 14.87004       0.7512072 -0.8354492     1.370188  
1 1 1 9   28 10 o 30.87928 0.9943066 9.038634       0.5196826 10.58035       1.114555  8.610341       0.5874491 3.124620       1.988613  
1 1 1 9   28 11 o 36.18287 1.731258  13.16445       1.252838  13.16445       1.252838  ?              ?         ?              ?         
1 1 1 9   28 12 f 20.73870 1.195494  4.312557       0.4958596 4.312557       0.4958596 ?              ?         ?              ?         
1 1 1 9   28 13 o 28.69825 0.8000138 8.248733       0.4589240 8.042873       0.6361516 8.472131       0.6626950 -0.7450027     1.600028  
1 1 1 9   28 14 o 19.82133 0.9140814 3.875102       0.3506375 2.668284       0.4652855 5.461246       0.5334208 -7.037043      1.828163  
1 1 1 9   28 15 o 7.201260 1.480024  0.4987230      0.2368149 0.7814816      0.3538903 0.2694266      0.3186834 2.860344       2.960049  
1 1 1 9   28 16 o 32.68795 0.6858583 10.63118       0.4467641 11.89253       0.6628291 9.581048       0.6047918 3.529919       1.371717  
1 1 1 9   28 17 o 61.88134 0.8223621 38.39496       1.017700  39.03365       1.448247  37.77192       1.430408  1.017330       1.644724  
1 1 1 9   28 18 o 54.00503 0.7771589 29.19280       0.8387105 30.76873       1.213135  27.74985       1.160825  2.788933       1.554318  
1 1 1 9   28 19 o 52.90244 0.7666040 28.05618       0.8109885 27.83011       1.135622  28.29147       1.158544  -0.4332619     1.533208  
1 1 1 9   28 20 o 15.23505 0.8974916 2.335748       0.2727787 2.209197       0.3924792 2.453999       0.3793885 -0.8054008     1.794983  
1 1 1 9   28 21 o 82.82532 0.9947079 68.92252       1.647545  69.90291       2.352138  67.97823       2.308439  1.154266       1.989416  
1 1 1 9   28 22 o 26.83531 0.7215115 7.220976       0.3869753 7.569201       0.5497926 6.879080       0.5447735 1.285208       1.443023  
1 1 1 9   28 23 o 62.41445 0.8929551 38.92136       1.101291  37.92690       1.441324  40.31641       1.707117  -1.871986      1.785910  
1 1 1 9   28 24 o 12.30858 1.146474  1.525012       0.2820913 1.539417       0.4061272 1.511584       0.3921162 0.1100807      2.292948  
1 1 1 9   28 25 o 37.03283 0.8421699 13.68930       0.6219516 14.93311       0.9219957 12.65070       0.8425134 3.068474       1.684340  
1 1 1 9   28 26 o 20.31335 0.9099024 4.150572       0.3660385 3.422029       0.5078748 4.938076       0.5280262 -3.728018      1.819805  
1 1 1 9   28 27 o 14.60610 1.091751  2.165499       0.3159270 1.849585       0.4509361 2.470052       0.4427529 -2.125896      2.183501  
1 1 1 9   28 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   28 29 o 42.60506 1.265875  18.24340       1.078654  18.24340       1.078654  ?              ?         ?              ?         
1 1 1 9   28 30 o 45.40274 0.9150864 20.71105       0.8304610 20.26381       1.150778  21.19707       1.199644  -1.017342      1.830173  
1 1 1 9   28 31 o 38.60521 0.8662564 14.98239       0.6688365 15.03775       0.9477043 14.92745       0.9440617 0.1420708      1.732513  
1 1 1 9   28 32 o 33.41254 0.8452306 11.21652       0.5647471 10.98065       0.7916626 11.46094       0.8058729 -0.7157631     1.690461  
1 1 1 9   28 33 o 48.19827 0.9509830 23.33963       0.9158306 24.30012       1.331397  22.47699       1.261766  1.874695       1.901966  
1 1 1 9   29 0  o 58.25719 0.7839200 33.98972       0.9127198 33.43591       1.262965  34.59515       1.320519  -0.9892731     1.567840  
1 1 1 9   29 1  f 74.97122 0.9125330 56.32257       1.367563  57.99387       1.973300  54.77800       1.897007  2.135918       1.825066  
1 1 1 9   29 2  o 51.21371 0.7380759 26.28224       0.7559272 26.49537       1.064976  26.06582       1.073155  0.4201393      1.476152  
1 1 1 9   29 3  o 80.94720 0.9651224 65.63033       1.560392  63.59524       2.140775  67.93707       2.279176  -2.664589      1.930245  
1 1 1 9   29 4  o 37.62544 0.6909203 14.12270       0.5183911 15.74223       0.7584378 12.70274       0.7101717 4.034775       1.381841  
1 1 1 9   29 5  o 25.15277 1.129753  6.621454       0.4623875 5.901611       0.9795788 6.827823       0.5244962 -1.905142      2.259507  
1 1 1 9   29 6  o 64.28311 1.281205  41.19352       1.638831  45.60240       2.474007  37.74623       2.187636  6.061241       2.562410  
1 1 1 9   29 7  o 60.75358 1.254567  37.09859       1.523687  38.38523       2.194417  35.90079       2.117288  2.031570       2.509135  
1 1 1 9   29 8  o 51.77223 0.7535288 26.85038       0.7797791 26.53447       1.081747  27.19211       1.125077  -0.6306877     1.507058  
1 1 1 9   29 9  f 37.17520 0.6924594 13.81587       0.5140870 14.91145       0.7448979 12.81945       0.7103869 2.810413       1.384919  
1 1 1 9   29 10 o 80.55922 0.9685088 65.13134       1.560221  64.68330       2.185022  65.59742       2.228595  -0.5614395     1.937018  
1 1 1 9   29 11 f 41.54324 0.7006090 17.24674       0.5810273 16.57597       0.7928038 18.02507       0.8539976 -1.737915      1.401218  
1 1 1 9   29 12 o 49.43533 0.7380243 24.47878       0.7292535 24.09342       1.010934  24.89686       1.052992  -0.8080788     1.476049  
1 1 1 9   29 13 o 47.90886 0.7337000 22.86845       0.7005273 21.44903       0.9433816 24.61323       1.045925  -3.291267      1.467400  
1 1 1 9   29 14 o 70.55519 0.8865051 49.91405       1.250275  49.01445       1.734295  50.88750       1.804080  -1.318069      1.773010  
1 1 1 9   29 15 o 31.33204 0.6918230 9.756378       0.4316269 8.951596       0.5786043 10.76615       0.6481187 -2.888096      1.383646  
1 1 1 9   29 16 o 12.54932 1.060303  1.583270       0.2660136 1.524648       0.3746452 1.642875       0.3777745 -0.4704952     2.120606  
1 1 1 9   29 17 o 65.02502 1.106456  42.50173       1.438229  43.65368       2.074457  41.43554       1.995752  1.690437       2.212912  
1 1 1 9   29 18 o 20.66396 0.8678547 4.308845       0.3552340 3.607860       0.5002119 5.022097       0.5045699 -3.421328      1.735709  
1 1 1 9   29 19 o 46.40731 0.9064990 21.61985       0.8412668 21.98103       1.200577  21.27143       1.179173  0.7611084      1.812998  
1 1 1 9   29 20 o 54.99397 0.9486415 30.43805       1.040984  29.35225       1.507375  31.42804       1.439329  -1.898849      1.897283  
1 1 1 9   29 21 o 6.210861 1.602744  0.3082618      0.2623197 0.4212083      0.3723557 0.1969737      0.3696118 1.027071       3.205487  
1 1 1 9   29 22 o 43.28735 0.8493564 18.70523       0.7295033 18.00632       0.9649507 19.63752       1.114475  -1.859253      1.698713  
1 1 1 9   29 23 o 25.24907 0.8428341 6.385601       0.4251116 6.765887       0.6188142 6.045731       0.5850066 1.420412       1.685668  
1 1 1 9   29 24 f 44.69803 0.9028679 19.99919       0.8055518 21.42185       1.184209  18.77389       1.099002  2.945869       1.805736  
1 1 1 9   29 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   29 26 o 24.08375 1.259746  5.828963       0.6067880 5.828963       0.6067880 ?              ?         ?              ?         
1 1 1 9   29 27 f 9.604326 1.433365  1.024107       0.2930103 0.2615741      0.4285344 1.693598       0.4015397 -6.718936      2.866730  
1 1 1 9   29 28 o 12.80904 1.252150  1.662425       0.3069846 2.166386       0.4584585 1.252806       0.4133245 3.697773       2.504300  
1 1 1 9   29 29 o 43.64808 0.9029087 18.92048       0.7830167 21.45464       1.192540  17.00001       1.038150  5.067677       1.805817  
1 1 1 9   29 30 o 32.83797 0.8444307 10.75949       0.5526164 11.92991       0.8222618 9.795368       0.7462859 3.234468       1.688861  
1 1 1 9   29 31 o 15.62785 1.518657  0.000000       0.000000  ?              ?         2.462655       0.4746668 ?              ?         
1 1 1 9   30 0  o 50.12490 0.9774835 23.88376       0.8626363 28.06429       1.744883  22.53148       0.9923965 5.417603       1.954967  
1 1 1 9   30 1  o 68.65887 1.304554  47.29794       1.787310  45.17474       2.429712  49.80162       2.638445  -3.331139      2.609109  
1 1 1 9   30 2  o 72.98047 1.348791  53.64983       1.968630  54.31800       2.790732  52.98802       2.777442  0.9086380      2.697582  
1 1 1 9   30 3  o 53.70150 0.7753733 28.87826       0.8317233 28.33355       1.143462  29.49023       1.211996  -1.069317      1.550747  
1 1 1 9   30 4  o 37.75871 0.6928504 14.28728       0.5231164 14.40008       0.7341959 14.17096       0.7455307 0.3045349      1.385701  
1 1 1 9   30 5  o 43.37057 0.7128204 18.73734       0.6164655 20.58637       0.9131895 17.18919       0.8355966 3.908390       1.425641  
1 1 1 9   30 6  o 55.66723 0.7746938 31.03243       0.8618289 30.27559       1.190654  31.86535       1.249064  -1.421299      1.549388  
1 1 1 9   30 7  o 20.75730 0.7781858 4.272856       0.3207688 3.636987       0.4312229 5.060549       0.4799505 -3.423506      1.556372  
1 1 1 9   30 8  o 7.901132 1.514436  0.6504260      0.2471573 0.7532567      0.3493597 0.5473908      0.3497070 1.142893       3.028873  
1 1 1 9   30 9  o 56.75543 0.7852523 32.22911       0.8900419 31.08875       1.219190  33.53033       1.302339  -2.140949      1.570505  
1 1 1 9   30 10 f 31.54511 0.6968097 9.907964       0.4381408 9.153825       0.5912155 10.82674       0.6525669 -2.644804      1.393619  
1 1 1 9   30 11 o 85.18922 1.012998  72.88934       1.725459  74.30862       2.475826  71.54897       2.406007  1.607956       2.025995  
1 1 1 9   30 12 o 90.10838 1.055559  81.48809       1.899933  84.51530       2.772342  78.80726       2.608920  3.137596       2.111118  
1 1 1 9   30 13 o 31.10694 0.7004849 9.675150       0.4352390 9.156682       0.5980524 10.25896       0.6346156 -1.767254      1.400970  
1 1 1 9   30 14 o 78.09618 0.9544981 61.08324       1.488018  64.19837       2.188463  58.40478       2.029291  3.682480       1.908996  
1 1 1 9   30 15 o 18.30903 0.8356924 3.357955       0.3053006 3.694736       0.4411989 3.048527       0.4229026 1.762032       1.671385  
1 1 1 9   30 16 o 63.80802 0.8471383 40.85339       1.080963  41.58622       1.541932  40.14516       1.515829  1.125271       1.694277  
1 1 1 9   30 17 f 36.38492 0.7417716 13.25518       0.5366225 13.08376       0.7187939 13.47102       0.8065646 -0.5201569     1.483543  
1 1 1 9   30 18 o 9.537800 1.401484  0.9407491      0.2658069 1.381171       0.3880315 0.5513711      0.3648536 4.341635       2.802969  
1 1 1 9   30 19 o 66.27416 0.9745784 44.04306       1.288606  42.63273       1.751174  45.70855       1.903009  -2.291122      1.949157  
1 1 1 9   30 20 o 27.02750 0.7940592 7.323878       0.4286527 7.199814       0.5890427 7.463535       0.6249638 -0.4821358     1.588118  
1 1 1 9   30 21 o 24.42413 0.8523909 5.990920       0.4160709 5.684099       0.5839394 6.307325       0.5929912 -1.274189      1.704782  
1 1 1 9   30 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   30 23 o 40.86625 1.230082  16.77928       1.005377  16.77928       1.005377  ?              ?         ?              ?         
1 1 1 9   30 24 o 6.513525 1.413704  0.1505868      0.2734258 0.9135200      0.4024888 -0.5032534     0.3726030 5.578336       2.827409  
1 1 1 9   30 25 o 24.77061 0.8650389 6.133019       0.4271207 6.873588       0.6286143 5.497907       0.5821391 2.767317       1.730078  
1 1 1 9   30 26 o 32.34138 0.8438124 10.46599       0.5445890 9.714116       0.7422479 11.34268       0.8014894 -2.505201      1.687625  
1 1 1 9   30 27 o 19.83089 0.9296641 3.955993       0.3680551 3.645686       0.5151818 4.279474       0.5260038 -1.595509      1.859328  
1 1 1 9   30 28 o 13.14369 1.253419  1.748352       0.3137186 2.338686       0.4706082 1.276194       0.4208761 4.170579       2.506838  
1 1 1 9   31 0  o 56.03554 0.7807099 31.48305       0.8748929 31.98742       1.243572  30.98875       1.231093  0.8895531      1.561420  
1 1 1 9   31 1  o 43.00137 0.7185023 18.52580       0.6175702 19.43925       0.8831776 17.65180       0.8638940 2.076122       1.437005  
1 1 1 9   31 2  o 16.77642 0.9161366 2.844882       0.3007550 3.616380       0.4338959 2.131426       0.4172554 4.423270       1.832273  
1 1 1 9   31 3  o 26.55226 0.7305219 7.065203       0.3877915 6.973140       0.5396652 7.163491       0.5576152 -0.3562527     1.461044  
1 1 1 9   31 4  o 23.94831 0.7565232 5.714763       0.3608071 5.037920       0.4907346 6.511162       0.5323144 -3.070539      1.513046  
1 1 1 9   31 5  o 27.83271 0.7367371 7.765903       0.4094257 7.745607       0.5626722 7.788742       0.5968707 -0.7313347E-01 1.473474  
1 1 1 9   31 6  o 81.19540 0.9766169 66.23085       1.585694  65.85088       2.220536  66.62623       2.265149  -0.4698334     1.953234  
1 1 1 9   31 7  o 49.85831 0.7461753 24.93062       0.7439629 25.24280       1.048366  24.61393       1.055920  0.6316490      1.492351  
1 1 1 9   31 8  o 22.66406 0.7651711 5.074875       0.3431590 4.157248       0.4577579 6.252181       0.5184982 -4.613558      1.530342  
1 1 1 9   31 9  o 27.17910 0.7250932 7.394907       0.3934402 8.045591       0.5677218 6.793622       0.5457456 2.300377       1.450186  
1 1 1 9   31 10 o 69.00594 0.8775054 47.79908       1.211010  48.41774       1.719311  47.18993       1.706021  0.8875809      1.755011  
1 1 1 9   31 11 f 59.99575 0.8163826 35.96060       0.9772125 38.39651       1.444774  33.90647       1.326733  3.724686       1.632765  
1 1 1 9   31 12 o 29.66311 0.7105880 8.825791       0.4210880 9.354065       0.5977982 8.305536       0.5932447 1.766800       1.421176  
1 1 1 9   31 13 o 50.81840 0.7610997 25.73267       0.7709107 28.18276       1.148514  23.72366       1.040009  4.371651       1.522199  
1 1 1 9   31 14 f 52.92262 0.7712823 28.09215       0.8161278 27.78481       1.138133  28.41744       1.170924  -0.5927505     1.542565  
1 1 1 9   31 15 o 20.65453 0.8166392 4.290588       0.3360489 4.389667       0.4587532 4.175860       0.4936533 0.5232449      1.633278  
1 1 1 9   31 16 f 8.487013 1.514631  0.7548078      0.2582837 0.8767951      0.3723474 0.6416757      0.3585782 1.283798       3.029262  
1 1 1 9   31 17 o 20.46024 0.8656741 4.200137       0.3539456 4.090288       0.4886366 4.321398       0.5133898 -0.5602303     1.731348  
1 1 1 9   31 18 o 14.94348 2.164334  2.026602       0.4105467 2.796498       1.293583  1.940368       0.4329286 2.134004       4.328668  
1 1 1 9   31 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   31 20 f 23.72947 0.8586610 5.642324       0.4067005 6.168613       0.5905240 5.167449       0.5609385 2.103891       1.717322  
1 1 1 9   31 21 o 46.62510 0.9171845 21.81302       0.8541861 20.99958       1.172337  22.73357       1.247132  -1.843727      1.834369  
1 1 1 9   31 22 o 31.80724 0.8436863 10.14577       0.5358364 10.99651       0.7752992 9.367778       0.7414104 2.553453       1.687373  
1 1 1 9   31 23 f 37.16738 0.8599361 13.86209       0.6386047 14.70686       0.9243299 13.09062       0.8833126 2.165386       1.719872  
1 1 1 9   31 24 o 24.41615 0.8656482 5.956454       0.4208815 6.797326       0.6201236 5.238303       0.5730879 3.182610       1.731296  
1 1 1 9   31 25 o 55.53085 1.012243  31.00883       1.122937  30.08268       1.544034  32.04874       1.636110  -1.747185      2.024487  
1 1 1 9   32 0  o 69.53879 0.8830286 48.18986       1.222686  52.34716       1.837708  44.88789       1.637787  5.332054       1.766057  
1 1 1 9   32 1  o 60.05088 0.8172956 36.18095       0.9814909 36.08755       1.377661  36.27720       1.398653  -0.1548538     1.634591  
1 1 1 9   32 2  o 28.15472 0.7423593 7.883599       0.4150986 9.328292       0.6156930 6.679705       0.5620445 4.696533       1.484719  
1 1 1 9   32 3  o 55.95544 0.7905182 31.35667       0.8839231 32.98049       1.280258  29.87752       1.221896  2.764400       1.581036  
1 1 1 9   32 4  o 60.11893 0.8202233 36.24813       0.9856873 35.69290       1.367702  36.84816       1.421816  -0.9527168     1.640447  
1 1 1 9   32 5  o 14.84533 1.013901  2.233539       0.2979115 2.577258       0.4187098 1.881146       0.4239603 2.345522       2.027801  
1 1 1 9   32 6  o 25.26957 0.7462491 6.395854       0.3766360 6.884302       0.5426682 5.941901       0.5231550 1.861952       1.492498  
1 1 1 9   32 7  o 58.13563 0.8089606 33.69618       0.9371596 36.58413       1.400208  31.35269       1.261332  4.477715       1.617921  
1 1 1 9   32 8  o 40.63211 0.7276812 16.53746       0.5909713 17.27695       0.8529490 15.85473       0.8195692 1.745354       1.455362  
1 1 1 9   32 9  o 48.72805 0.7524072 23.72164       0.7317285 25.48705       1.077176  22.20895       0.9970980 3.351700       1.504814  
1 1 1 9   32 10 o 60.72729 0.8272951 36.97158       1.004107  38.46479       1.452308  35.60415       1.389798  2.344990       1.654590  
1 1 1 9   32 11 o 52.80835 0.7801311 27.95599       0.8232169 27.34697       1.135973  28.62955       1.194651  -1.205097      1.560262  
1 1 1 9   32 12 o 16.44824 0.9222512 2.715228       0.3031643 2.845422       0.4383811 2.595890       0.4197064 0.7548904      1.844502  
1 1 1 9   32 13 o 53.18062 0.7850736 28.39328       0.8349119 28.54769       1.173520  28.23501       1.188102  0.2965164      1.570147  
1 1 1 9   32 14 o 10.35445 2.074571  1.163674       0.3834452 0.8280753      0.9418648 1.230347       0.4198100 -1.000412      4.149142  
1 1 1 9   32 15 f 55.52128 1.869563  31.16184       2.076011  31.16184       2.076011  ?              ?         ?              ?         
1 1 1 9   32 16 o 55.34311 0.9438866 30.93760       1.039972  32.96164       1.437105  28.71230       1.506859  3.853745       1.887773  
1 1 1 9   32 17 o 26.90265 0.8469046 7.258928       0.4552857 7.650239       0.6591515 6.901911       0.6296064 1.385056       1.693809  
1 1 1 9   32 18 o 38.72691 0.8587217 14.95868       0.6625127 16.45809       0.9910477 13.74722       0.8908157 3.479511       1.717443  
1 1 1 9   32 19 o 37.12258 0.8552709 13.77011       0.6331171 15.10068       0.9381219 12.65722       0.8579636 3.273968       1.710542  
1 1 1 9   32 20 o 20.03275 0.9063744 4.050908       0.3617944 3.727228       0.5185942 4.357822       0.5049862 -1.576990      1.812749  
1 1 1 9   32 21 o 10.76804 1.396431  1.199684       0.2926962 1.144297       0.4308534 1.247152       0.3988647 -0.6759357     2.792863  
1 1 1 9   32 22 f 37.95506 0.8764690 14.47040       0.6649741 14.05052       0.9222478 14.92507       0.9597006 -1.143833      1.752938  
1 1 1 9   33 0  o 20.19952 0.9229791 4.060938       0.3702806 4.422742       0.5655174 3.789424       0.4898973 1.553652       1.845958  
1 1 1 9   33 1  o 88.91873 1.051239  79.43124       1.867466  82.31964       2.719508  76.85389       2.568914  3.041573       2.102478  
1 1 1 9   33 2  o 53.74702 0.7841697 28.96230       0.8425123 30.19577       1.211690  27.80778       1.172272  2.215233       1.568339  
1 1 1 9   33 3  o 35.64856 0.7236626 12.69805       0.5147398 13.96707       0.7526035 11.58267       0.7055742 3.337296       1.447325  
1 1 1 9   33 4  o 12.72247 1.145466  1.631023       0.2913908 1.682543       0.4148307 1.580843       0.4094006 0.3983746      2.290931  
1 1 1 9   33 5  o 79.97670 0.9765768 64.31112       1.561732  65.63722       2.236912  63.05004       2.181381  1.605682       1.953154  
1 1 1 9   33 6  o 31.66376 0.7294787 10.02258       0.4610140 9.489202       0.6279064 10.64636       0.6790360 -1.818974      1.458957  
1 1 1 9   33 7  o 36.22784 0.7229523 13.16400       0.5235386 13.05288       0.7272338 13.28354       0.7542986 -0.3139763     1.445905  
1 1 1 9   33 8  o 40.11155 0.7286444 16.14069       0.5842031 16.07609       0.8117478 16.21011       0.8414273 -0.1622467     1.457289  
1 1 1 9   33 9  o 18.46433 1.497402  3.337655       0.4131271 3.640711       1.026932  3.279139       0.4512529 0.7995872      2.994803  
1 1 1 9   33 10 o 21.97130 2.730295  5.291810       0.9527026 5.415350       1.078929  4.854563       2.029797  2.205555       5.460589  
1 1 1 9   33 11 o 39.01701 1.026099  15.27441       0.8007063 15.27441       0.8007063 ?              ?         ?              ?         
1 1 1 9   33 12 o 30.82697 0.8361905 9.546437       0.5155125 9.556117       0.7252330 9.536551       0.7329173 0.3321648E-01  1.672381  
1 1 1 9   33 13 o 5.067106 1.402572  -0.1775950     0.2660307 -0.8435787     0.3812951 0.4541018      0.3713503 -3.607857      2.805143  
1 1 1 9   33 14 o 50.44195 0.9599288 25.60731       0.9683816 25.68469       1.365217  25.52895       1.373820  0.1564026      1.919858  
1 1 1 9   33 15 o 7.554440 1.645953  0.5725809      0.2802159 0.3960309      0.3962585 0.7491783      0.3963117 -1.764505      3.291906  
1 1 1 9   33 16 o 42.75858 0.8885331 18.37252       0.7596005 18.97091       1.089656  17.80685       1.059455  1.354546       1.777066  
1 1 1 9   33 17 o 21.47025 0.8816952 4.616687       0.3778692 4.994676       0.5539235 4.287687       0.5167831 1.638449       1.763390  
1 1 1 9   33 18 o 69.85370 1.178712  49.26623       1.646539  48.70793       2.306260  49.84666       2.351516  -0.8017120     2.357424  
1 1 1 9   34 0  o 32.23674 0.7410980 10.43137       0.4776027 10.78116       0.6751980 10.08110       0.6756666 1.085894       1.482196  
1 1 1 9   34 1  o 26.25125 0.7847348 6.907862       0.4116434 6.673882       0.5677729 7.167140       0.5976813 -0.9342079     1.569470  
1 1 1 9   34 2  o 26.54507 0.7783852 7.097786       0.4115689 7.761450       0.5785378 6.417775       0.5856193 2.532177       1.556770  
1 1 1 9   34 3  f 31.40409 0.8366385 9.713378       0.5194876 8.669354       0.6752643 11.22722       0.8131278 -4.046072      1.673277  
1 1 1 9   34 4  o 38.16891 1.292672  0.000000       0.000000  ?              ?         14.64825       0.9867975 ?              ?         
1 1 1 9   34 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   34 6  o 36.10452 1.244082  13.10330       0.8983393 13.10330       0.8983393 ?              ?         ?              ?         
1 1 1 9   34 7  o 80.17816 1.320017  64.97211       2.114491  63.30968       2.910980  66.82906       3.076570  -2.141472      2.640034  
1 1 1 9   34 8  o 52.96789 0.9902344 28.24424       1.048904  28.72310       1.495844  27.78101       1.471210  0.8832169      1.980469  
1 1 1 9   34 9  o 11.32577 1.427131  1.327869       0.3124842 1.643817       0.4511976 1.036636       0.4331911 2.848572       2.854262  
1 1 1 9   34 10 o 52.64552 0.9847395 27.78723       1.034357  29.63889       1.528866  26.22431       1.404622  3.212429       1.969479  
1 1 1 9   34 11 o 31.05320 0.8499649 9.691450       0.5277561 9.971560       0.7487764 9.414926       0.7439664 0.8952560      1.699930  
1 1 1 9   34 12 o 8.857828 1.625866  0.8353000      0.2959626 0.6147355      0.4283108 1.036852       0.4094355 -2.120761      3.251733  
1 1 1 9   34 13 o 7.594578 1.665975  0.5858939      0.2788823 0.6148366      0.4056882 0.5599626      0.3840028 0.3199453      3.331950  
1 1 1 9   34 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 9   35 0  o 55.37198 1.570199  31.14216       1.288579  31.12187       1.410634  31.24442       3.166853  0.5197792      3.140399  
1 1 1 9   35 1  o 20.42171 0.9926205 4.087541       0.3997418 3.527883       0.5158892 4.928455       0.6323696 -3.400812      1.985241  
1 1 1 9   35 2  o 41.34801 0.9186540 17.12579       0.7581313 18.45275       1.114735  15.98383       1.034117  2.967480       1.837308  
1 1 1 9   35 3  o 36.54350 0.8933743 13.42562       0.6528084 13.31986       0.9126434 13.53643       0.9341532 -0.2916260     1.786749  
1 1 1 9   35 4  o 30.15301 0.8727698 9.134167       0.5261573 8.859761       0.7334772 9.425063       0.7551957 -0.9327221     1.745540  
1 1 1 9   35 5  o 41.41199 0.9052233 17.21276       0.7489001 16.48618       1.029845  18.02821       1.091008  -1.848034      1.810447  
1 1 1 9   35 6  o 45.00007 1.324149  0.000000       0.000000  ?              ?         20.37733       1.191736  ?              ?         
1 1 1 9   35 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  0  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  0  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  0  2  o 511.7428 10.63436  2626.295       108.7364  2626.295       108.7364  2626.295       108.7364  -0.000000      0.000000  
1 1 1 10  0  3  o 510.9657 7.512229  2582.999       75.78537  2404.608       98.54631  2841.212       118.5612  -0.000000      0.000000  
1 1 1 10  0  4  o 169.1230 2.520142  286.4484       8.515597  285.2902       11.98808  287.6280       12.09843  -0.000000      0.000000  
1 1 1 10  0  5  o 36.20827 0.7519665 13.12595       0.5431165 13.77260       0.7846269 12.53110       0.7525426 -0.000000      0.000000  
1 1 1 10  0  6  o 29.01460 1.094313  8.480629       0.6308374 8.175931       0.8747040 8.810892       0.9106596 -0.000000      0.000000  
1 1 1 10  0  7  o 144.1302 2.183497  208.0045       6.286763  210.7191       8.987395  205.4036       8.797304  -0.000000      0.000000  
1 1 1 10  0  8  o 163.6323 2.442509  268.1587       7.985271  267.0129       11.23849  269.3268       11.34806  -0.000000      0.000000  
1 1 1 10  0  9  o 94.63696 1.476479  89.34146       2.783312  94.19289       4.133196  85.31604       3.764924  -0.000000      0.000000  
1 1 1 10  0  10 o 471.5455 6.937566  2214.449       64.95075  2370.895       98.71043  2094.998       86.25320  -0.000000      0.000000  
1 1 1 10  0  11 o 220.5184 3.265664  487.1156       14.38765  483.9969       20.20129  490.3260       20.49633  -0.000000      0.000000  
1 1 1 10  0  12 o 180.5177 2.690337  326.2885       9.700044  321.7761       13.50570  331.0960       13.94050  -0.000000      0.000000  
1 1 1 10  0  13 o 165.8659 3.511321  269.6930       11.39761  246.1797       14.50651  307.6213       18.42421  -0.000000      0.000000  
1 1 1 10  0  14 o 280.0101 4.132669  785.8776       23.11961  780.5704       32.46017  791.3418       32.93718  -0.000000      0.000000  
1 1 1 10  0  15 o 23.85666 0.8030336 5.743677       0.3803087 5.352570       0.5426653 6.121170       0.5331367 -0.000000      0.000000  
1 1 1 10  0  16 o 331.0728 4.879609  1099.517       32.27634  1091.839       45.30829  1107.427       45.99065  -0.000000      0.000000  
1 1 1 10  0  17 o 105.5797 1.624114  111.6552       3.425843  111.3600       4.836510  111.9524       4.853282  -0.000000      0.000000  
1 1 1 10  0  18 o 25.89935 0.7956460 6.693756       0.4065607 5.526475       0.5509914 8.088854       0.6023644 -0.000000      0.000000  
1 1 1 10  0  19 o 393.1217 5.796257  1551.916       45.49123  1587.844       65.94851  1519.303       62.83313  -0.000000      0.000000  
1 1 1 10  0  20 o 98.37020 1.527260  96.90518       3.000807  98.08741       4.299960  95.78277       4.189750  -0.000000      0.000000  
1 1 1 10  0  21 o 101.3207 1.569865  102.7502       3.175807  100.5498       4.398030  105.1477       4.590701  -0.000000      0.000000  
1 1 1 10  0  22 o 19.64770 0.9278179 3.816941       0.3535641 5.077265       0.5451739 2.902052       0.4644915 -0.000000      0.000000  
1 1 1 10  0  23 o 127.4802 1.941773  161.0319       4.900732  175.6862       7.566724  150.4430       6.432065  -0.000000      0.000000  
1 1 1 10  0  24 o 149.9506 2.254920  225.2929       6.754871  227.2417       9.644452  223.4163       9.463773  -0.000000      0.000000  
1 1 1 10  0  25 f 37.85992 0.8568791 14.11809       0.6409560 16.34930       0.9951054 12.53609       0.8379233 -0.000000      0.000000  
1 1 1 10  0  26 o 79.99947 1.298586  63.67374       2.065537  59.77343       2.762692  68.61741       3.110332  -0.000000      0.000000  
1 1 1 10  0  27 o 154.0185 2.318800  236.7589       7.109576  226.3085       9.576729  249.5899       10.61165  -0.000000      0.000000  
1 1 1 10  0  28 o 49.53604 0.9597977 24.59890       0.9492204 24.15522       1.339717  25.04615       1.345100  -0.000000      0.000000  
1 1 1 10  0  29 o 8.871473 2.008562  1.017111       0.3178362 0.8609067      0.4768783 1.141958       0.4263334 -0.000000      0.000000  
1 1 1 10  0  30 f 7.676728 2.148092  0.8172183      0.3168029 0.7695133      0.4866570 0.8523018      0.4173419 -0.000000      0.000000  
1 1 1 10  0  31 o 64.12566 1.109677  41.07529       1.418495  39.03696       1.933393  43.45170       2.087579  -0.000000      0.000000  
1 1 1 10  0  32 o 15.52327 1.204974  2.426774       0.3474497 3.482077       0.5346338 1.655192       0.4571502 -0.000000      0.000000  
1 1 1 10  0  33 o 177.4611 2.663011  316.1100       9.432973  308.4246       13.00054  324.6547       13.70804  -0.000000      0.000000  
1 1 1 10  0  34 o 27.61509 1.320233  7.682195       0.7256072 7.682195       0.7256072 7.682195       0.7256072 -0.000000      0.000000  
1 1 1 10  0  35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  0  36 o 13.59867 1.838996  1.951206       0.4859374 1.951206       0.4859374 1.951206       0.4859374 -0.000000      0.000000  
1 1 1 10  0  37 o 147.3431 2.238632  217.4503       6.569525  227.9771       9.763917  208.7427       8.880248  -0.000000      0.000000  
1 1 1 10  0  38 o 64.71996 1.139865  41.95877       1.471382  43.01374       2.147943  41.02603       2.019671  -0.000000      0.000000  
1 1 1 10  0  39 o 44.16748 0.9507675 19.57918       0.8376788 18.72996       1.178133  20.44747       1.191290  -0.000000      0.000000  
1 1 1 10  0  40 o 21.52801 1.055010  4.609595       0.4441387 5.326468       0.6994302 4.125221       0.5749284 -0.000000      0.000000  
1 1 1 10  0  41 o 6.680831 2.301925  0.6636232      0.3584159 0.6176817      0.5616157 0.6951917      0.4655471 -0.000000      0.000000  
1 1 1 10  0  42 o 9.489349 2.724305  1.299059       0.5101525 1.408424       0.6147170 1.057072       0.9143909 -0.000000      0.000000  
1 1 1 10  0  43 o 60.66192 1.117225  36.80022       1.348626  38.56237       2.010273  35.35810       1.818591  -0.000000      0.000000  
1 1 1 10  0  44 o 14.89381 1.432599  2.322439       0.4078815 2.310852       0.6250936 2.331031       0.5382599 -0.000000      0.000000  
1 1 1 10  0  45 o 46.05307 0.9988769 21.26679       0.9148071 21.76909       1.359228  20.85085       1.236875  -0.000000      0.000000  
1 1 1 10  0  46 f 28.49176 1.034349  8.236409       0.5817407 7.841229       0.8641294 8.563958       0.7867196 -0.000000      0.000000  
1 1 1 10  0  47 f 37.67596 1.011064  14.29396       0.7562749 14.19482       1.119725  14.37712       1.025539  -0.000000      0.000000  
1 1 1 10  0  48 o 3.877788 1.872873  -0.3540991     0.4010742 0.2741567E-01  0.6694436 -0.5677152     0.5009280 -0.000000      0.000000  
1 1 1 10  0  49 o 78.71664 1.345977  62.33422       2.115049  62.80889       3.048185  61.89351       2.937165  -0.000000      0.000000  
1 1 1 10  0  50 o 4.244056 1.986244  -0.9109845E-01 0.4238980 -0.3110130     0.6799779 0.4869316E-01  0.5421362 -0.000000      0.000000  
1 1 1 10  0  51 o 8.365465 2.348778  1.048539       0.4527389 0.3932357      0.7551206 1.416300       0.5656896 -0.000000      0.000000  
1 1 1 10  0  52 o 62.31963 2.621034  39.44897       3.254350  39.44897       3.254350  39.44897       3.254350  -0.000000      0.000000  
1 1 1 10  0  53 o 36.31490 1.468286  13.29653       1.062635  13.29653       1.062635  13.29653       1.062635  -0.000000      0.000000  
1 1 1 10  0  54 o 21.98885 1.364949  4.928640       0.5827332 5.244051       0.9165212 4.714612       0.7549868 -0.000000      0.000000  
1 1 1 10  0  55 f 36.06187 1.149990  13.09713       0.8172509 13.45283       1.255940  12.83591       1.076283  -0.000000      0.000000  
1 1 1 10  1  0  o 583.3528 6.080624  3398.965       70.72601  3543.061       104.9916  3279.253       95.69669  22.50220       12.16125  
1 1 1 10  1  1  o 400.2963 5.134279  1585.356       38.12009  1554.047       45.77592  1656.190       68.85319  -12.53085      10.26856  
1 1 1 10  1  2  o 618.7596 9.091434  3846.177       112.5076  3855.031       159.4405  3837.396       158.7810  1.413269       18.18287  
1 1 1 10  1  3  o 448.4669 6.599174  1991.314       58.52509  1861.817       76.28146  2176.617       91.24906  -34.90186      13.19835  
1 1 1 10  1  4  o 380.5753 5.586516  1448.796       42.46729  1491.129       61.95994  1411.290       58.32075  10.44858       11.17303  
1 1 1 10  1  5  o 296.4470 3.780328  877.1978       21.03771  886.3068       36.85053  872.7937       25.62373  2.193451       7.560655  
1 1 1 10  1  6  o 252.0626 2.626168  634.1650       13.21336  613.7454       18.02548  657.8809       19.42605  -8.746948      5.252336  
1 1 1 10  1  7  o 391.9028 4.065931  1537.207       31.86298  1522.052       44.54935  1553.079       45.59081  -3.948792      8.131862  
1 1 1 10  1  8  o 44.16756 0.6467195 19.53090       0.5667231 19.32598       0.8549873 19.69148       0.7568845 -0.4139290     1.293439  
1 1 1 10  1  9  o 331.2963 3.440518  1098.198       22.79013  1084.297       31.78025  1112.915       32.69963  -4.310730      6.881037  
1 1 1 10  1  10 o 333.1656 3.461004  1111.054       23.06103  1115.430       32.76711  1106.760       32.46148  1.298096       6.922009  
1 1 1 10  1  11 o 504.0413 5.231617  2544.863       52.70116  2598.107       76.27145  2496.216       72.90392  10.05072       10.46323  
1 1 1 10  1  12 o 87.35724 1.367275  76.32727       2.388821  76.25495       3.373893  76.39996       3.382732  -0.8295441E-01 2.734550  
1 1 1 10  1  13 o 131.5691 1.526463  173.6520       3.999716  166.8781       5.865559  179.5393       5.468225  -4.814087      3.052926  
1 1 1 10  1  14 f 200.0048 2.099557  399.3072       8.380528  414.0072       12.34048  386.7249       11.41702  6.811447       4.199114  
1 1 1 10  1  15 o 319.7730 3.326398  1023.560       21.26281  1043.026       30.66823  1005.541       29.50576  5.841370       6.652795  
1 1 1 10  1  16 f 102.3814 1.127856  102.2868       2.265784  92.59917       2.886311  117.8432       3.657544  -12.32343      2.255711  
1 1 1 10  1  17 o 306.2376 3.187277  939.2993       19.51601  951.3706       27.99071  927.8795       27.22483  3.819397       6.374554  
1 1 1 10  1  18 o 49.15971 0.7023660 23.93263       0.6761450 23.06216       0.8646873 25.30247       1.084718  -2.277431      1.404732  
1 1 1 10  1  19 o 65.82911 0.7748138 43.32029       1.019774  42.57997       1.420282  44.10809       1.465120  -1.160385      1.549628  
1 1 1 10  1  20 o 257.2463 2.684184  661.9662       13.79488  645.8990       18.98641  679.9324       20.07707  -6.592133      5.368369  
1 1 1 10  1  21 o 195.7478 2.053936  383.0742       8.032607  373.8380       11.06031  393.3834       11.68507  -4.981934      4.107872  
1 1 1 10  1  22 o 252.0081 2.633043  635.0654       13.25097  655.8789       19.38733  616.8179       18.15293  7.720779       5.266085  
1 1 1 10  1  23 o 117.7623 1.270697  138.0170       2.980368  131.3111       4.001371  146.3732       4.466664  -6.389534      2.541393  
1 1 1 10  1  24 o 82.27379 0.9319765 67.43880       1.529080  71.10268       2.269867  64.39480       2.068960  4.074593       1.863953  
1 1 1 10  1  25 o 260.5317 2.720799  679.6495       14.16428  664.4532       19.54067  696.4739       20.56088  -6.113983      5.441598  
1 1 1 10  1  26 o 86.18408 0.9699798 74.14682       1.669322  76.95971       2.444934  71.69044       2.284753  3.055038       1.939960  
1 1 1 10  1  27 o 28.42311 0.6253620 7.793074       0.3475424 5.902084       0.4496400 10.59936       0.5477547 -8.262217      1.250724  
1 1 1 10  1  28 f 68.82605 0.8179855 47.38039       1.125899  47.77241       1.603586  46.99926       1.581175  0.5613632      1.635971  
1 1 1 10  1  29 o 177.5257 1.873936  315.7473       6.652817  318.2167       9.486435  313.3574       9.332462  1.362839       3.747873  
1 1 1 10  1  30 o 88.85638 0.9989834 78.95885       1.774487  80.49549       2.557272  77.53188       2.464315  1.665474       1.997967  
1 1 1 10  1  31 f 77.70303 0.8987189 60.12590       1.391750  63.76737       2.076516  57.15598       1.875294  4.249176       1.797438  
1 1 1 10  1  32 o 24.42420 0.8207982 6.155047       0.3702610 5.469062       0.6457664 6.491012       0.4519241 -2.097170      1.641596  
1 1 1 10  1  33 o 64.28807 1.114259  41.38276       1.432626  40.97183       2.024583  41.79487       2.027499  -0.6399994     2.228517  
1 1 1 10  1  34 o 50.45424 0.8358290 25.43896       0.7959291 25.35939       0.9750144 25.59790       1.378012  -0.2217102     1.671658  
1 1 1 10  1  35 o 72.03060 0.8537514 51.93426       1.229920  51.85400       1.736561  52.01502       1.742191  -0.1115417     1.707503  
1 1 1 10  1  36 o 104.4295 1.495207  109.1972       3.050101  108.4066       3.907462  110.4302       4.879761  -0.8932800     2.990413  
1 1 1 10  1  37 o 39.48636 0.9031136 15.51084       0.7095381 14.68106       0.9473342 16.57112       1.070858  -2.387093      1.806227  
1 1 1 10  1  38 o 48.36819 0.7414107 23.39418       0.7137754 20.39547       0.9893166 26.64979       1.030824  -6.463341      1.482821  
1 1 1 10  1  39 o 34.61156 0.6465636 11.98618       0.4475084 12.23742       0.6388740 11.74417       0.6270368 0.7120171      1.293127  
1 1 1 10  1  40 o 29.82273 0.6684471 8.805779       0.3960622 10.35351       0.5932968 7.561594       0.5319452 4.677608       1.336894  
1 1 1 10  1  41 o 28.55455 0.6773865 8.128904       0.3859103 7.413470       0.5281515 8.948390       0.5652553 -2.685495      1.354773  
1 1 1 10  1  42 o 39.99116 0.6816361 15.99313       0.5448257 15.38432       0.7544076 16.65681       0.7876680 -1.588661      1.363272  
1 1 1 10  1  43 o 35.41933 0.7193114 12.51900       0.5053554 12.22183       0.6693465 12.91296       0.7706798 -0.9678192     1.438623  
1 1 1 10  1  44 o 76.26744 0.9135826 58.32840       1.393510  58.06052       1.963986  58.59999       1.977526  -0.3522110     1.827165  
1 1 1 10  1  45 f 22.40392 0.7650534 5.001959       0.3402807 4.207677       0.4640342 5.925946       0.5004902 -3.831123      1.530107  
1 1 1 10  1  46 o 10.06721 1.476171  1.059347       0.2875653 1.104084       0.4096272 1.015876       0.4037931 0.4379511      2.952343  
1 1 1 10  1  47 o 62.67175 0.8183710 39.21356       1.022992  37.13253       1.385679  41.70650       1.516631  -3.633476      1.636742  
1 1 1 10  1  48 o 29.01479 0.7392190 8.439933       0.4288988 8.401608       0.6111891 8.477118       0.6020237 -0.1312027     1.478438  
1 1 1 10  1  49 o 17.46471 0.9844692 3.069006       0.3395636 3.732032       0.4913652 2.462923       0.4697918 3.629660       1.968938  
1 1 1 10  1  50 o 61.07095 0.8218970 37.38416       1.003298  38.67205       1.449130  36.19849       1.390444  2.016460       1.643794  
1 1 1 10  1  51 o 16.05116 1.754001  2.818907       0.5156241 2.027170       0.8013062 3.378409       0.6736104 -4.485234      3.508003  
1 1 1 10  1  52 o 27.14196 0.8231926 7.369078       0.4447736 6.424745       0.6103098 8.438683       0.6495305 -3.703003      1.646385  
1 1 1 10  1  53 o 14.45910 1.768920  2.320878       0.4382751 2.518668       0.5209091 1.841545       0.8109208 2.687963       3.537839  
1 1 1 10  1  54 o 47.31004 0.9820873 22.18773       0.9095762 24.16395       1.468194  20.95681       1.158725  3.315559       1.964175  
1 1 1 10  1  55 o 38.67179 0.7898276 15.01928       0.6108671 15.16018       0.8653854 14.87934       0.8624154 0.3625298      1.579655  
1 1 1 10  2  0  o 354.3960 3.681142  1256.904       26.09160  1256.001       36.92149  1257.804       36.87676  -0.2546997     7.362284  
1 1 1 10  2  1  o 649.0565 6.750232  4193.409       87.11508  3963.600       115.9329  4491.462       132.0292  -40.45068      13.50046  
1 1 1 10  2  2  o 374.5573 3.887861  1403.844       29.12021  1419.038       41.61749  1389.270       40.76028  3.967194       7.775723  
1 1 1 10  2  3  o 665.3180 6.920131  4432.385       91.97770  4319.264       126.5208  4559.180       133.9491  -17.92792      13.84026  
1 1 1 10  2  4  o 230.2441 2.958416  525.8313       12.66366  518.2209       15.25511  542.7001       22.71197  -5.271988      5.916832  
1 1 1 10  2  5  o 195.9890 2.901675  383.8346       11.36218  394.2221       16.52484  374.5200       15.64807  5.021011       5.803349  
1 1 1 10  2  6  o 646.4811 9.546104  4202.163       123.3801  4170.540       171.8437  4235.807       177.2537  -4.934082      19.09221  
1 1 1 10  2  7  o 296.1192 4.359117  877.7704       25.81178  867.4426       36.09365  888.5806       36.92735  -3.560577      8.718233  
1 1 1 10  2  8  o 357.6332 4.526486  1288.645       30.88689  1254.786       51.83743  1307.283       38.45948  -7.491852      9.052973  
1 1 1 10  2  9  o 238.5623 2.490263  568.6972       11.86887  555.2760       16.33913  583.6908       17.26975  -5.949051      4.980526  
1 1 1 10  2  10 o 243.9007 3.595524  595.4905       17.53807  592.1312       24.65025  598.9340       24.95777  -1.391266      7.191048  
1 1 1 10  2  11 o 113.8108 1.226680  129.1877       2.786130  124.4175       3.792508  134.7806       4.106572  -4.551506      2.453360  
1 1 1 10  2  12 o 85.51225 0.9564099 73.13020       1.635690  73.23736       2.316682  73.02369       2.309763  0.1249084      1.912820  
1 1 1 10  2  13 o 271.8734 2.831497  739.7505       15.39423  746.2900       21.98045  733.4548       21.56689  2.355560       5.662995  
1 1 1 10  2  14 o 115.9325 1.247589  134.4079       2.892299  133.1302       4.049054  135.7391       4.132893  -1.124672      2.495178  
1 1 1 10  2  15 o 414.5145 4.311368  1719.351       35.67997  1665.216       48.75973  1781.751       52.34950  -13.97519      8.622737  
1 1 1 10  2  16 o 121.7025 1.421635  147.4103       3.406129  144.0410       4.418024  152.3475       5.348140  -3.404854      2.843269  
1 1 1 10  2  17 f 170.2627 1.794036  288.4193       6.079870  274.2798       8.135228  306.3082       9.150509  -9.393250      3.588072  
1 1 1 10  2  18 o 219.3294 2.295064  481.3762       10.06340  489.3311       14.48156  473.9473       13.99452  3.498352       4.590129  
1 1 1 10  2  19 o 324.5008 3.377978  1054.280       21.89676  1084.125       31.91536  1027.737       30.09789  8.638885       6.755957  
1 1 1 10  2  20 o 67.66568 0.7925529 45.72147       1.071365  47.23710       1.560734  44.37086       1.473321  2.117401       1.585106  
1 1 1 10  2  21 o 74.49275 0.8594445 54.64375       1.265978  50.16171       1.647238  61.11122       1.978727  -7.346992      1.718889  
1 1 1 10  2  22 o 168.6444 1.780404  284.3675       6.000351  278.1952       8.290208  291.1586       8.695877  -3.836884      3.560808  
1 1 1 10  2  23 f 232.2230 2.429471  538.9036       11.26148  559.0862       16.55781  521.5316       15.36165  8.057800       4.858942  
1 1 1 10  2  24 o 217.7082 2.280001  474.6534       9.926548  471.0214       13.92321  478.4081       14.15621  -1.690826      4.560002  
1 1 1 10  2  25 o 202.9520 2.129462  412.3221       8.640426  418.6521       12.42148  406.3878       12.02689  3.011887       4.258925  
1 1 1 10  2  26 o 82.74173 0.9495745 68.45545       1.570980  69.72065       2.253385  67.25900       2.191318  1.486801       1.899149  
1 1 1 10  2  27 o 97.50447 1.081176  95.10824       2.108176  94.39440       2.956440  95.84671       3.007026  -0.7439041     2.162351  
1 1 1 10  2  28 o 157.3570 1.669936  246.6305       5.232175  234.9451       7.014623  261.2850       7.855374  -8.345917      3.339872  
1 1 1 10  2  29 o 92.88078 1.036823  86.26971       1.925092  87.94569       2.774882  84.71459       2.672961  1.737198       2.073647  
1 1 1 10  2  30 f 66.72685 1.005092  43.11075       1.219813  48.01769       2.314120  41.22276       1.435425  5.070824       2.010184  
1 1 1 10  2  31 f 87.48638 1.402441  76.30636       2.445976  72.47951       3.301750  80.96106       3.641406  -4.833603      2.804881  
1 1 1 10  2  32 o 101.6928 1.365471  104.6379       2.662455  107.4169       3.346113  99.84237       4.395597  3.771263       2.730942  
1 1 1 10  2  33 o 21.20516 0.6731508 4.463603       0.2825843 3.640261       0.3829439 5.447957       0.4187171 -4.261505      1.346302  
1 1 1 10  2  34 o 24.08519 0.6455053 5.803942       0.3109044 5.926782       0.4409592 5.682511       0.4384220 0.5070267      1.291011  
1 1 1 10  2  35 o 55.75912 0.7252069 30.69405       0.8020654 34.39543       1.235108  27.99492       1.054716  5.733189       1.450414  
1 1 1 10  2  36 o 51.90938 0.7003816 26.95692       0.7270028 27.44624       1.039899  26.48913       1.016766  0.9210472      1.400763  
1 1 1 10  2  37 o 63.24387 0.7868344 40.01064       0.9948207 40.91829       1.432817  39.16583       1.382319  1.383236       1.573669  
1 1 1 10  2  38 o 10.76744 1.589892  1.218237       0.3320443 1.358639       0.4351858 1.022620       0.5136783 1.739276       3.179784  
1 1 1 10  2  39 o 82.84096 1.354580  68.57992       2.236323  65.58388       3.014116  72.24899       3.335529  -3.992317      2.709159  
1 1 1 10  2  40 o 42.86246 0.6752316 18.31528       0.5775658 17.23858       0.7857694 19.58061       0.8518265 -2.728443      1.350463  
1 1 1 10  2  41 o 8.883684 1.817201  0.8137208      0.3347482 0.8377956      0.4226864 0.7732188      0.5482457 0.1468000      3.634402  
1 1 1 10  2  42 o 31.37840 0.6776168 9.853962       0.4250650 9.452928       0.5943375 10.27388       0.6081664 -1.307184      1.355234  
1 1 1 10  2  43 f 66.52292 1.032922  44.79886       1.301567  43.12541       2.210875  45.68647       1.610167  -1.990936      2.065844  
1 1 1 10  2  44 f 45.28037 0.7070727 20.45886       0.6390963 19.12997       0.8727293 21.99555       0.9384862 -3.158699      1.414145  
1 1 1 10  2  45 o 20.59313 0.8336078 4.244441       0.3424065 3.825608       0.4743007 4.700301       0.4948228 -2.121504      1.667216  
1 1 1 10  2  46 o 31.83525 0.7122704 10.04570       0.4506613 8.677800       0.6052443 11.74774       0.6751302 -4.814772      1.424541  
1 1 1 10  2  47 o 16.28567 0.9928170 2.683709       0.3206021 2.325914       0.4596274 3.022749       0.4474188 -2.141171      1.985634  
1 1 1 10  2  48 o 26.12790 0.7721543 6.835417       0.4030378 6.394639       0.5594015 7.311193       0.5811855 -1.751261      1.544309  
1 1 1 10  2  49 o 40.83224 0.9183241 16.15549       0.6816015 18.15198       1.296273  15.39256       0.8013203 3.299801       1.836648  
1 1 1 10  2  50 o 19.37857 1.385676  3.738159       0.5262554 4.056827       0.8460021 3.537022       0.6721205 1.297516       2.771352  
1 1 1 10  2  51 o 40.84579 0.7434256 16.73171       0.6072429 17.06472       0.8660865 16.40972       0.8516380 0.7996674      1.486851  
1 1 1 10  2  52 o 23.62678 0.8643022 5.594489       0.4076839 6.086618       0.5915697 5.149344       0.5626231 1.977997       1.728604  
1 1 1 10  2  53 o 5.941293 1.708424  0.1432393      0.3189214 0.7734312E-01  0.4481390 0.2108595      0.4539635 -0.4862518     3.416848  
1 1 1 10  2  54 o 20.02419 1.111752  4.103299       0.4328479 4.328837       0.5599667 3.768477       0.6822737 1.432171       2.223504  
1 1 1 10  2  55 o 36.37727 1.413904  13.65332       0.9831292 12.55548       1.614697  14.30007       1.239329  -2.524990      2.827809  
1 1 1 10  3  0  o 125.3183 1.335950  157.0114       3.347514  154.9498       4.670650  159.1890       4.800209  -1.691032      2.671900  
1 1 1 10  3  1  o 500.1877 5.192804  2495.703       51.77148  2392.528       69.86057  2621.391       77.10642  -22.80331      10.38561  
1 1 1 10  3  2  o 36.80835 0.5831099 13.44819       0.4257214 16.12141       0.6298488 11.19967       0.5776538 6.685574       1.166220  
1 1 1 10  3  3  o 405.5481 4.206511  1642.294       34.04500  1588.522       46.36257  1705.222       50.15450  -14.35577      8.413022  
1 1 1 10  3  4  o 410.9589 4.265314  1685.160       34.96085  1761.796       51.79486  1621.023       47.38337  17.08829       8.530627  
1 1 1 10  3  5  o 198.2145 2.078724  392.9595       8.240195  389.8695       11.57820  396.1310       11.73008  -1.578766      4.157448  
1 1 1 10  3  6  o 465.8747 4.831786  2173.165       45.01025  2197.911       64.46393  2149.624       62.87406  5.164734       9.663571  
1 1 1 10  3  7  o 37.35676 0.7731714 13.77132       0.5738249 12.11767       0.7630469 15.92380       0.8705627 -5.094082      1.546343  
1 1 1 10  3  8  o 378.4729 5.559994  1435.050       42.06741  1458.260       60.57758  1413.432       58.46333  5.890930       11.11999  
1 1 1 10  3  9  o 254.6719 3.751710  649.2214       19.10666  643.4446       26.76517  655.2244       27.28409  -2.307129      7.503421  
1 1 1 10  3  10 o 178.2505 2.643666  317.9299       9.424693  318.1744       13.33749  317.6861       13.31958  0.1368256      5.287333  
1 1 1 10  3  11 o 137.2169 1.749231  191.2757       4.696711  172.1358       7.226162  205.2754       6.180134  -12.08194      3.498461  
1 1 1 10  3  12 o 167.6448 1.766810  281.1154       5.923433  278.9534       8.312200  283.3462       8.443337  -1.309265      3.533621  
1 1 1 10  3  13 o 218.3459 2.284605  475.0570       9.940549  499.6250       14.83156  455.0202       13.39419  10.19971       4.569209  
1 1 1 10  3  14 o 442.4050 4.601312  1962.566       40.70560  1939.692       56.91959  1986.510       58.23581  -5.261230      9.202624  
1 1 1 10  3  15 f 140.9073 1.497672  196.7535       4.187497  213.0008       6.422308  184.7381       5.522954  10.02142       2.995343  
1 1 1 10  3  16 f 157.6802 1.669227  246.7567       5.229282  232.5437       6.933604  265.5060       7.963554  -10.44162      3.338454  
1 1 1 10  3  17 o 152.9940 1.619076  233.6225       4.944048  242.7484       7.276207  225.7953       6.738582  5.534302       3.238152  
1 1 1 10  3  18 o 92.90660 1.028038  84.20814       1.873599  76.20996       2.385154  97.09570       3.027653  -11.23490      2.056076  
1 1 1 10  3  19 o 79.70231 0.9030465 63.51190       1.439069  62.59535       2.005806  64.48411       2.065821  -1.184448      1.806093  
1 1 1 10  3  20 f 134.2111 1.432031  179.5426       3.832198  188.3876       5.692269  172.2106       5.182605  6.020981       2.864063  
1 1 1 10  3  21 o 173.2283 1.824972  300.2783       6.321918  297.6146       8.855612  303.0467       9.027965  -1.565186      3.649943  
1 1 1 10  3  22 o 277.4250 2.892742  771.2299       16.04882  777.2128       22.88801  765.4432       22.50964  2.111176       5.785484  
1 1 1 10  3  23 o 229.3904 2.400519  527.0463       11.01306  526.0873       15.54392  528.0128       15.60591  -0.4182129     4.801039  
1 1 1 10  3  24 o 175.0355 1.845376  306.6909       6.460080  306.1686       9.115344  307.2178       9.156661  -0.2988892     3.690753  
1 1 1 10  3  25 o 202.9198 2.130871  411.7453       8.636648  400.6958       11.85712  424.2335       12.60532  -5.781174      4.261743  
1 1 1 10  3  26 f 122.7753 1.324068  150.8353       3.251207  150.4758       4.583187  151.1995       4.612757  -0.2942352     2.648136  
1 1 1 10  3  27 o 77.81630 0.8965055 60.32705       1.391055  63.66532       2.066736  57.56223       1.880871  3.918869       1.793011  
1 1 1 10  3  28 o 77.24036 1.268617  59.65724       1.958329  60.96413       2.835162  58.46478       2.708191  1.615120       2.537234  
1 1 1 10  3  29 o 27.05179 0.9212807 7.247668       0.4914109 5.693082       0.6620537 9.154938       0.7333171 -6.397173      1.842561  
1 1 1 10  3  30 o 93.25536 1.281831  86.23926       2.223782  84.85398       2.679409  89.30568       3.986459  -2.346153      2.563662  
1 1 1 10  3  31 o 60.22156 0.7530764 36.26503       0.9067287 36.99416       1.302959  35.58035       1.262609  1.172932       1.506153  
1 1 1 10  3  32 o 38.67848 0.6282733 14.91969       0.4852529 15.87946       0.7102206 14.07937       0.6645555 2.326019       1.256547  
1 1 1 10  3  33 o 30.74674 0.6225217 9.403752       0.3814822 10.56373       0.5620211 8.412729       0.5194811 3.496899       1.245043  
1 1 1 10  3  34 o 117.2509 1.276716  137.7101       2.992995  139.7775       4.297552  135.7629       4.170763  1.704659       2.553432  
1 1 1 10  3  35 o 47.15281 0.6770988 22.21360       0.6378735 22.97211       0.9283473 21.53522       0.8779406 1.521996       1.354198  
1 1 1 10  3  36 o 29.27683 0.6385958 8.364028       0.3687621 10.56868       0.5716071 6.792331       0.4826281 6.446346       1.277192  
1 1 1 10  3  37 f 30.12699 0.6324298 9.084474       0.3809596 9.299062       0.5375639 8.867969       0.5399606 0.7155457      1.264860  
1 1 1 10  3  38 o 14.45431 0.9154382 2.118440       0.2593801 1.630501       0.3657423 2.612167       0.3679049 -3.395623      1.830876  
1 1 1 10  3  39 o 24.32568 0.6999780 5.899147       0.3375243 7.070663       0.4944766 4.877108       0.4618544 4.507126       1.399956  
1 1 1 10  3  40 o 104.9481 1.646265  110.8325       3.455421  111.0911       4.881392  110.5729       4.892033  0.2482986      3.292530  
1 1 1 10  3  41 o 46.39265 0.8664922 21.69770       0.7983022 20.13560       1.173960  23.04136       1.088785  -3.138367      1.732984  
1 1 1 10  3  42 o 34.54014 0.6651992 11.93575       0.4592853 11.42690       0.6400265 12.47598       0.6594645 -1.517311      1.330398  
1 1 1 10  3  43 o 64.26632 0.8166446 41.34015       1.048803  42.50878       1.520922  40.28059       1.448210  1.727039       1.633289  
1 1 1 10  3  44 o 76.59261 0.9198595 58.83384       1.409080  59.03336       1.997079  58.63604       1.988428  0.2584076      1.839719  
1 1 1 10  3  45 o 7.778538 1.641534  0.6023245      0.2788393 0.4426464      0.3795098 0.7896490      0.4110529 -1.824835      3.283068  
1 1 1 10  3  46 o 26.07728 0.7446946 6.815309       0.3883546 6.795910       0.5526369 6.834235       0.5458586 -0.7418442E-01 1.489389  
1 1 1 10  3  47 o 11.44519 1.343622  1.340183       0.3000298 1.468352       0.4281392 1.216503       0.4205745 1.266182       2.687244  
1 1 1 10  3  48 o 52.73727 1.093606  27.93412       1.149234  28.34630       1.705294  27.59116       1.555535  0.6889496      2.187211  
1 1 1 10  3  49 o 10.90529 1.660867  1.188271       0.3429575 0.9874743      0.4291111 1.543336       0.5706179 -2.439300      3.321734  
1 1 1 10  3  50 o 19.96956 0.9243941 4.009633       0.3671227 4.572923       0.5262125 3.475441       0.5124412 2.745564       1.848788  
1 1 1 10  3  51 o 13.88768 1.212635  1.938830       0.3324838 1.544093       0.4550756 2.390794       0.4869470 -3.040773      2.425269  
1 1 1 10  3  52 o 37.03834 0.7544194 13.72042       0.5577964 12.67645       0.7652582 14.90380       0.8147523 -2.998482      1.508839  
1 1 1 10  3  53 o 13.07168 1.418554  1.784536       0.3543581 2.127261       0.4931452 1.418655       0.5095326 2.893860       2.837108  
1 1 1 10  3  54 o 37.94378 0.7694585 14.36053       0.5818724 16.04688       0.8623081 12.95075       0.7884294 4.065708       1.538917  
1 1 1 10  3  55 o 69.30268 1.719894  49.19343       2.165024  48.56924       3.989911  49.45391       2.577485  -1.219177      3.439789  
1 1 1 10  4  0  o 341.1321 3.544726  1161.825       24.13513  1205.016       35.51073  1124.745       32.90274  11.74707       7.089452  
1 1 1 10  4  1  o 563.4786 5.870108  3165.875       65.84590  3031.814       88.23250  3334.386       98.92190  -26.72266      11.74022  
1 1 1 10  4  2  o 312.9678 3.254332  978.6199       20.34344  1007.417       29.68946  953.1327       27.93095  8.660889       6.508664  
1 1 1 10  4  3  o 436.2241 4.538439  1902.147       39.54172  1849.505       54.25167  1961.803       57.75333  -12.83838      9.076878  
1 1 1 10  4  4  o 200.3165 2.423823  399.7390       9.676316  420.4917       14.42878  382.7775       13.04445  9.406326       4.847647  
1 1 1 10  4  5  f 306.7009 4.511755  941.8597       27.67371  937.5428       38.90141  946.2827       39.37597  -1.419861      9.023510  
1 1 1 10  4  6  o 439.9868 4.570011  1938.650       40.21357  1945.544       57.14200  1931.885       56.60297  1.546143       9.140022  
1 1 1 10  4  7  o 527.7923 5.483783  2788.394       57.82750  2718.327       79.65537  2866.470       84.08518  -13.96997      10.96757  
1 1 1 10  4  8  o 412.8660 4.284194  1704.180       35.32318  1657.077       48.40212  1757.851       51.66654  -12.16458      8.568387  
1 1 1 10  4  9  f 206.2136 2.158116  425.4088       8.900612  424.2452       12.56317  426.5815       12.61170  -0.5661163     4.316232  
1 1 1 10  4  10 o 63.65350 0.8897599 40.85664       1.118379  48.37461       1.582857  33.36202       1.580398  11.79242       1.779520  
1 1 1 10  4  11 o 91.64342 1.421917  82.39195       2.567000  93.13616       4.078188  75.34176       3.303545  9.704338       2.843835  
1 1 1 10  4  12 o 343.1642 5.047617  1180.697       34.63007  1198.986       49.80104  1163.574       48.18743  5.125153       10.09523  
1 1 1 10  4  13 o 252.6608 3.726020  637.2346       18.76851  667.5014       27.90234  612.2239       25.36418  10.89424       7.452040  
1 1 1 10  4  14 o 459.9209 5.819113  2144.046       51.27425  2061.034       84.95013  2191.620       64.30970  -14.81644      11.63823  
1 1 1 10  4  15 o 192.1792 2.019096  368.8346       7.747603  381.8184       11.35719  357.5331       10.59591  6.309494       4.038191  
1 1 1 10  4  16 o 157.4331 1.666237  247.7049       5.241428  242.0388       7.226406  253.9946       7.613751  -3.792847      3.332474  
1 1 1 10  4  17 o 113.7960 1.230850  129.5225       2.800941  130.3839       3.999177  128.6932       3.924146  0.7421494      2.461700  
1 1 1 10  4  18 o 97.60962 1.072032  95.06682       2.088788  98.92567       3.071003  91.74477       2.849413  3.676460       2.144064  
1 1 1 10  4  19 o 115.0668 1.242689  132.4277       2.859455  131.2467       4.004607  133.6562       4.084331  -1.046219      2.485377  
1 1 1 10  4  20 o 73.55741 0.8504526 54.11489       1.251119  54.27742       1.775663  53.95465       1.763104  0.2193146      1.700905  
1 1 1 10  4  21 o 58.31748 0.7238859 33.82229       0.8413849 36.30127       1.255401  31.80072       1.133683  3.857880       1.447772  
1 1 1 10  4  22 o 111.2750 1.207191  123.7384       2.684381  126.9382       3.892974  120.8378       3.706466  2.739052       2.414382  
1 1 1 10  4  23 o 114.9956 1.244758  132.2570       2.862076  130.5618       3.992838  134.0485       4.104651  -1.514565      2.489515  
1 1 1 10  4  24 f 234.5285 2.452950  550.6599       11.49846  540.1534       15.92581  562.1008       16.61889  -4.660263      4.905899  
1 1 1 10  4  25 o 80.28458 1.134453  64.41123       1.706398  64.69365       2.996220  64.27567       2.075961  0.2478943      2.268905  
1 1 1 10  4  26 o 186.7049 2.787587  349.5135       10.40480  354.9742       14.97354  344.4149       14.46867  2.807846       5.575175  
1 1 1 10  4  27 o 112.9773 1.743719  127.6924       3.936772  130.6886       5.707571  124.9734       5.437141  2.521782       3.487439  
1 1 1 10  4  28 o 61.82661 0.9319084 38.93760       1.109585  41.08100       1.414253  35.50568       1.789550  4.515209       1.863817  
1 1 1 10  4  29 o 143.7942 1.534611  207.0497       4.412870  205.4017       6.185847  208.7574       6.297123  -1.163025      3.069221  
1 1 1 10  4  30 o 26.84699 0.6170147 7.202937       0.3311235 7.414853       0.4779100 7.007283       0.4592083 0.7587585      1.234029  
1 1 1 10  4  31 o 185.0312 1.954138  343.5276       7.231484  344.2642       10.24895  342.7974       10.20492  0.3936462      3.908275  
1 1 1 10  4  32 o 43.45770 0.6469521 18.82370       0.5612369 20.12362       0.8246291 17.70197       0.7660248 2.784904       1.293904  
1 1 1 10  4  33 o 128.0459 1.382175  164.1961       3.537422  167.7970       5.112727  160.8894       4.899428  2.685081       2.764349  
1 1 1 10  4  34 o 128.9066 1.391894  166.5624       3.588103  167.9803       5.119359  165.1934       5.030496  1.075333       2.783788  
1 1 1 10  4  35 o 74.11781 0.8745480 54.37405       1.285972  59.78535       1.976619  50.40263       1.693343  6.317230       1.749096  
1 1 1 10  4  36 o 60.94393 0.7678438 37.16456       0.9357308 37.69932       1.339346  36.65464       1.307862  0.8557739      1.535688  
1 1 1 10  4  37 o 85.87196 0.9821353 73.78447       1.685499  72.02918       2.329740  75.71220       2.441495  -2.137970      1.964271  
1 1 1 10  4  38 o 48.94941 0.6906786 23.98007       0.6761025 23.77808       0.9483167 24.18888       0.9641874 -0.4188461     1.381357  
1 1 1 10  4  39 o 19.00127 0.7751434 3.606278       0.2914545 4.368639       0.4255014 2.932443       0.4000342 3.777792       1.550287  
1 1 1 10  4  40 f 64.24657 0.8096352 41.05233       1.035405  44.23680       1.559431  38.54164       1.384665  4.420448       1.619270  
1 1 1 10  4  41 o 14.42704 1.221690  2.100893       0.3207432 2.117103       0.3821875 2.062284       0.5898437 0.2131653      2.443380  
1 1 1 10  4  42 o 52.24781 1.008372  27.33060       1.051457  26.66306       1.433731  28.10744       1.546649  -1.370331      2.016744  
1 1 1 10  4  43 o 58.86123 0.9314747 34.92500       1.051507  34.08777       1.745601  35.40181       1.317326  -1.160473      1.862949  
1 1 1 10  4  44 o 64.86593 1.184730  42.07914       1.530561  44.42413       2.293000  40.19477       2.055504  3.225231       2.369460  
1 1 1 10  4  45 o 36.59830 0.6950776 13.41570       0.5086859 13.76754       0.7252041 13.07493       0.7137145 0.9451561      1.390155  
1 1 1 10  4  46 o 64.73306 0.9099968 41.84380       1.158249  43.10920       1.824594  40.98972       1.499007  1.595299       1.819994  
1 1 1 10  4  47 f 52.29155 1.100093  27.49959       1.149724  26.48809       1.632471  28.49510       1.619518  -1.921169      2.200186  
1 1 1 10  4  48 o 35.10838 0.7228745 12.32740       0.5069217 13.19520       0.7364418 11.54598       0.6988273 2.344158       1.445749  
1 1 1 10  4  49 f 41.56964 0.7304847 17.32703       0.6072881 17.13003       0.8590867 17.52381       0.8585835 -0.4737167     1.460969  
1 1 1 10  4  50 o 11.70084 1.430190  1.403832       0.3283066 1.381959       0.4590045 1.426743       0.4697741 -0.3650579     2.860380  
1 1 1 10  4  51 o 16.19538 1.075478  2.642215       0.3477860 2.461054       0.4905359 2.825322       0.4931620 -1.124039      2.150956  
1 1 1 10  4  52 o 25.96413 0.8253143 6.770293       0.4285659 6.722359       0.6050273 6.818563       0.6071456 -0.1848736     1.650629  
1 1 1 10  4  53 o 21.47557 0.9408653 4.655178       0.3989023 5.631888       0.5735965 3.740367       0.5551232 4.399965       1.881731  
1 1 1 10  4  54 o 31.40834 0.8054843 9.917440       0.5056191 10.19788       0.7090055 9.627225       0.7212588 0.9109344      1.610969  
1 1 1 10  4  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  5  0  o 626.9834 7.041850  3949.801       87.77482  4013.857       118.3930  3871.620       130.7963  11.52228       14.08370  
1 1 1 10  5  1  o 345.5278 3.602947  1194.807       24.89824  1192.209       35.14466  1197.426       35.27859  -0.7537842     7.205894  
1 1 1 10  5  2  o 484.1916 5.054401  2347.862       48.94169  2331.921       68.67583  2364.312       69.76503  -3.332825      10.10880  
1 1 1 10  5  3  f 307.2626 3.201789  944.0172       19.66247  962.8909       28.43639  926.7267       27.21751  5.876068       6.403578  
1 1 1 10  5  4  o 389.8554 4.048826  1517.452       31.49666  1464.835       42.84130  1579.347       46.46504  -14.65143      8.097651  
1 1 1 10  5  5  o 414.2934 4.301252  1718.578       35.63833  1710.015       50.14484  1727.317       50.65952  -2.082581      8.602505  
1 1 1 10  5  6  o 524.5286 5.451098  2755.880       57.15346  2803.463       82.46933  2711.907       79.27940  8.680908       10.90220  
1 1 1 10  5  7  o 284.5464 2.974962  810.0137       16.92562  819.5632       24.27597  800.9803       23.61077  3.259735       5.949924  
1 1 1 10  5  8  o 453.1166 4.713593  2045.024       42.50723  1942.724       56.84426  2174.793       64.02249  -25.50406      9.427187  
1 1 1 10  5  9  f 205.3007 2.147933  421.5454       8.817201  426.8483       12.64075  416.5207       12.30484  2.512817       4.295866  
1 1 1 10  5  10 o 258.4050 2.692055  668.0550       13.90941  676.2227       19.93526  660.3068       19.41675  3.074432       5.384109  
1 1 1 10  5  11 o 141.3603 1.506068  194.2777       4.160003  175.5817       5.252099  225.7545       6.814793  -17.73663      3.012136  
1 1 1 10  5  12 o 98.91634 1.081243  97.65294       2.135533  94.47284       2.920788  101.3056       3.130284  -3.452766      2.162485  
1 1 1 10  5  13 o 272.6487 3.482303  743.5817       17.86419  741.4590       21.81899  747.8980       31.11378  -1.018005      6.964605  
1 1 1 10  5  14 o 340.1847 5.008282  1161.529       34.06611  1176.134       48.84020  1147.691       47.53963  4.143860       10.01656  
1 1 1 10  5  15 o 202.2418 2.994258  408.1693       12.07308  391.9371       16.31750  427.8037       17.94630  -8.836395      5.988516  
1 1 1 10  5  16 o 148.4005 2.220307  218.8824       6.550703  234.2945       9.934369  207.0259       8.713429  9.167938       4.440615  
1 1 1 10  5  17 o 287.5749 3.669797  831.3459       19.97622  823.7894       34.24172  835.2446       24.59540  -2.270477      7.339594  
1 1 1 10  5  18 o 143.1506 2.161182  202.6621       6.124653  221.9867       9.506881  188.9511       8.007875  11.51303       4.322364  
1 1 1 10  5  19 o 107.8493 1.172825  116.3274       2.529404  117.6315       3.614424  115.0758       3.540942  1.184189       2.345650  
1 1 1 10  5  20 o 145.2258 1.544544  210.4330       4.475661  219.3389       6.606105  202.8766       6.085034  5.660904       3.089088  
1 1 1 10  5  21 o 113.2043 1.226714  127.9667       2.773280  124.1353       3.799744  132.3343       4.056892  -3.618446      2.453428  
1 1 1 10  5  22 o 298.4827 3.110794  892.8268       18.56182  878.4778       25.78702  908.2556       26.73966  -4.959198      6.221588  
1 1 1 10  5  23 o 162.2825 2.107008  264.0941       6.458470  262.5338       11.12998  264.8862       7.930153  -0.7956848     4.214015  
1 1 1 10  5  24 o 103.8429 1.620384  106.5590       3.331199  117.2696       5.172719  98.96939       4.354332  8.796280       3.240767  
1 1 1 10  5  25 o 181.3870 2.711113  329.8732       9.834693  331.5045       13.99365  328.2811       13.82460  0.8826599      5.422226  
1 1 1 10  5  26 o 144.6019 1.542417  209.2816       4.460180  211.1025       6.367498  207.5275       6.249454  1.233368       3.084834  
1 1 1 10  5  27 o 77.26317 0.8935370 59.07386       1.369878  64.73830       2.103347  54.90126       1.805243  6.361488       1.787074  
1 1 1 10  5  28 o 26.45660 0.6254207 7.001156       0.3308406 7.003763       0.4625741 6.998425       0.4733714 0.1022530E-01  1.250841  
1 1 1 10  5  29 o 76.73054 0.8893180 58.86893       1.364121  60.09065       1.965909  57.73447       1.894395  1.533859       1.778636  
1 1 1 10  5  30 o 68.31902 0.8176916 46.69926       1.117270  46.81062       1.583554  46.58887       1.576586  0.1621323      1.635383  
1 1 1 10  5  31 o 92.42012 1.035530  85.46652       1.913497  86.80116       2.747197  84.20889       2.666782  1.399696       2.071060  
1 1 1 10  5  32 o 146.6511 1.566241  215.5829       4.593497  214.0840       6.450396  217.1251       6.542966  -1.031616      3.132483  
1 1 1 10  5  33 o 51.37350 0.6904089 26.30343       0.7076687 27.90387       1.046142  24.95324       0.9608752 2.869164       1.380818  
1 1 1 10  5  34 o 37.76756 0.6328626 14.09598       0.4750785 12.54726       0.6321018 16.10655       0.7202134 -4.709499      1.265725  
1 1 1 10  5  35 o 111.8351 1.225554  125.3072       2.740540  123.7075       3.825526  126.9936       3.927919  -1.462685      2.451108  
1 1 1 10  5  36 o 63.77863 0.7935597 40.71697       1.012236  40.51163       1.430411  40.92295       1.432627  -0.3223610     1.587119  
1 1 1 10  5  37 o 66.55968 0.8168272 44.32851       1.086927  45.23943       1.564128  43.47786       1.511516  1.320618       1.633654  
1 1 1 10  5  38 o 109.7569 1.210441  120.5406       2.652398  116.4458       3.623483  125.2676       3.893131  -3.995872      2.420883  
1 1 1 10  5  39 o 13.54265 1.305740  1.831678       0.3505974 1.774936       0.4630540 1.907904       0.5366963 -0.4835653     2.611481  
1 1 1 10  5  40 o 71.00119 0.8639457 50.33633       1.224018  52.88922       1.806928  48.17148       1.663944  3.311729       1.727891  
1 1 1 10  5  41 o 87.50919 1.006807  76.45766       1.756399  80.83570       2.614403  72.85620       2.371212  4.535217       2.013614  
1 1 1 10  5  42 f 7.291025 1.524788  0.5344100      0.2529060 0.7700515      0.3458043 0.2634251      0.3708319 2.572598       3.049577  
1 1 1 10  5  43 o 41.90442 0.8951629 17.79568       0.7384554 18.87811       0.9805227 16.37714       1.122480  2.998680       1.790326  
1 1 1 10  5  44 o 17.41373 1.235757  3.019964       0.4277600 2.798163       0.5679318 3.310752       0.6502848 -1.458845      2.471514  
1 1 1 10  5  45 o 65.79115 1.209489  42.95616       1.575246  47.44427       2.447430  39.78194       2.058245  5.759251       2.418979  
1 1 1 10  5  46 f 44.54526 0.8825923 19.67100       0.7368288 19.24761       0.8926767 20.57614       1.305216  -1.439201      1.765185  
1 1 1 10  5  47 o 21.10709 0.8443781 4.467741       0.3563194 4.637760       0.5077988 4.302829       0.5001127 0.7924232      1.688756  
1 1 1 10  5  48 o 50.06580 0.7566084 25.04866       0.7562758 23.51260       1.034184  26.81429       1.108779  -3.287540      1.513217  
1 1 1 10  5  49 o 44.51595 0.7357384 19.87175       0.6549928 20.11614       0.9252092 19.62620       0.9273943 0.5505905      1.471477  
1 1 1 10  5  50 o 85.25845 1.015219  73.03329       1.730083  71.33939       2.396696  74.87634       2.499983  -2.054108      2.030438  
1 1 1 10  5  51 o 6.621506 1.677685  0.2832676      0.3168605 0.6753662      0.4385886 -0.1448225     0.4582762 3.005095       3.355369  
1 1 1 10  5  52 o 16.07568 1.153694  2.614153       0.3539374 1.671821       0.4794190 3.743030       0.5247305 -6.430986      2.307388  
1 1 1 10  5  53 o 32.89870 0.7771369 10.85763       0.5111244 10.55405       0.7106202 11.18303       0.7357107 -0.9513969     1.554274  
1 1 1 10  5  54 o 38.19016 0.7801628 14.58006       0.5941208 16.24460       0.8712753 13.13340       0.8122537 4.061768       1.560326  
1 1 1 10  5  55 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  6  0  f 459.4493 6.753979  2114.067       61.98259  2061.834       85.13188  2172.990       90.42017  -12.01654      13.50796  
1 1 1 10  6  1  o 317.0657 4.668071  1006.521       29.59535  996.8076       41.35215  1016.721       42.37489  -3.129303      9.336143  
1 1 1 10  6  2  o 169.4288 2.527092  287.1686       8.562812  288.8116       12.18325  285.5648       12.03735  0.9572754      5.054184  
1 1 1 10  6  3  o 364.9718 5.364685  1334.307       39.14737  1317.052       54.56868  1352.604       56.19251  -4.848633      10.72937  
1 1 1 10  6  4  o 223.8998 3.317854  501.6490       14.85568  506.4141       21.20116  497.0527       20.82218  2.087219       6.635708  
1 1 1 10  6  5  f 279.8859 2.918901  782.2293       16.30839  758.6008       22.26403  809.5854       23.95587  -9.094391      5.837802  
1 1 1 10  6  6  o 295.8460 3.078293  875.8312       18.21208  868.9014       25.53438  883.0064       25.98303  -2.379761      6.156586  
1 1 1 10  6  7  o 213.1165 2.230247  452.3179       9.468784  432.5110       12.73478  476.8065       14.16011  -10.38226      4.460493  
1 1 1 10  6  8  o 205.2951 2.148347  421.6160       8.820327  424.4772       12.56052  418.8325       12.38890  1.373520       4.296695  
1 1 1 10  6  9  o 235.5741 2.458703  555.1863       11.58182  561.2015       16.57791  549.4511       16.18741  2.490356       4.917406  
1 1 1 10  6  10 o 316.7689 3.293185  1003.661       20.84464  1028.232       30.25877  981.4702       28.75615  7.360352       6.586369  
1 1 1 10  6  11 o 228.6294 2.391636  523.0946       10.93568  524.5731       15.53009  521.6404       15.40149  0.6399384      4.783271  
1 1 1 10  6  12 o 451.4690 4.693110  2043.460       42.35467  2007.968       58.79350  2081.751       61.06836  -8.117249      9.386221  
1 1 1 10  6  13 o 300.7868 3.132313  906.0234       18.84129  899.4894       26.42493  912.7804       26.87191  -2.201599      6.264625  
1 1 1 10  6  14 o 337.6436 3.512139  1141.513       23.69910  1118.642       32.76417  1166.609       34.32119  -7.069275      7.024277  
1 1 1 10  6  15 f 194.6274 2.045130  378.9142       7.957270  372.7741       11.05849  385.5068       11.45874  -3.265274      4.090261  
1 1 1 10  6  16 f 202.2576 2.615654  404.4982       9.786934  396.2898       11.72580  423.3482       17.76917  -6.566620      5.231308  
1 1 1 10  6  17 o 180.3340 2.678250  325.7329       9.659589  325.9277       13.66397  325.5382       13.65748  0.1078339      5.356500  
1 1 1 10  6  18 o 155.3653 2.319067  241.4031       7.199270  235.9044       9.927037  247.5037       10.45617  -3.723404      4.638134  
1 1 1 10  6  19 o 255.2139 3.252033  655.9216       15.78455  643.2885       26.72246  662.6915       19.56191  -3.991821      6.504065  
1 1 1 10  6  20 o 139.5378 1.607767  194.9735       4.444426  193.8211       6.756472  195.8525       5.900802  -0.7402039     3.215534  
1 1 1 10  6  21 o 212.1310 3.151969  450.4847       13.35461  464.1973       19.50074  438.3739       18.32645  6.051605       6.303939  
1 1 1 10  6  22 o 74.75632 1.252538  55.87818       1.871928  54.83547       2.602209  56.99643       2.694833  -1.444138      2.505076  
1 1 1 10  6  23 o 163.6678 2.135558  266.4143       6.518494  263.2235       7.878909  273.3364       11.60474  -3.002457      4.271115  
1 1 1 10  6  24 f 189.9098 1.998107  360.9998       7.586534  355.8356       10.56255  366.5028       10.90353  -2.800247      3.996215  
1 1 1 10  6  25 o 182.0690 1.919805  331.8379       6.988226  336.9737       10.04553  327.0218       9.727816  2.724396       3.839610  
1 1 1 10  6  26 o 150.2801 1.600351  225.6853       4.802402  233.1709       7.032234  219.1434       6.574130  4.655396       3.200702  
1 1 1 10  6  27 o 72.10107 0.8494335 52.00377       1.224885  51.78583       1.726793  52.22450       1.737757  -0.3040390     1.698867  
1 1 1 10  6  28 o 199.9540 2.104035  400.7936       8.411943  406.1121       12.06477  395.7623       11.73467  2.572723       4.208069  
1 1 1 10  6  29 o 44.25453 0.6520323 19.59065       0.5770882 19.58373       0.8194195 19.59747       0.8128719 -0.1562881E-01 1.304065  
1 1 1 10  6  30 f 21.92501 0.6666905 4.775321       0.2886074 3.794679       0.3914617 5.943069       0.4271779 -4.898682      1.333381  
1 1 1 10  6  31 o 16.76146 0.7702930 2.827484       0.2555399 3.317322       0.3630766 2.346654       0.3597228 2.895450       1.540586  
1 1 1 10  6  32 o 34.82512 0.6189728 12.00368       0.4288096 10.70721       0.5734566 13.64806       0.6458310 -4.220547      1.237946  
1 1 1 10  6  33 o 109.7446 1.202977  120.4865       2.637412  117.2095       3.627243  124.1623       3.841720  -3.156105      2.405953  
1 1 1 10  6  34 o 141.0988 1.513211  199.7145       4.270244  199.6018       6.036932  199.8274       6.041142  -0.7965088E-01 3.026421  
1 1 1 10  6  35 o 25.57749 0.6573524 6.524124       0.3355471 5.969793       0.4608693 7.149452       0.4894939 -2.305046      1.314705  
1 1 1 10  6  36 o 49.70774 0.6909345 24.72763       0.6868954 24.71463       0.9718305 24.74062       0.9710038 -0.2617264E-01 1.381869  
1 1 1 10  6  37 o 31.80289 0.6348834 10.09790       0.4032652 9.418125       0.5562093 10.85123       0.5855256 -2.251842      1.269767  
1 1 1 10  6  38 o 6.431509 1.709112  0.2741687      0.3008194 0.1379568      0.3984417 0.4547354      0.4587502 -1.555024      3.418223  
1 1 1 10  6  39 o 26.95671 0.6674013 7.164142       0.3568635 6.103714       0.4743581 8.546916       0.5416777 -4.528084      1.334803  
1 1 1 10  6  40 o 32.32908 0.6637819 10.44499       0.4285279 11.29940       0.6191383 9.659298       0.5937205 2.535070       1.327564  
1 1 1 10  6  41 o 93.65424 1.064333  87.92822       1.992363  89.93815       2.879239  86.08158       2.759807  2.045906       2.128666  
1 1 1 10  6  42 o 10.91459 1.238616  1.209143       0.2640558 1.086643       0.3621476 1.348196       0.3858401 -1.344161      2.477233  
1 1 1 10  6  43 o 36.93043 0.8972867 13.42217       0.5977802 14.26244       1.137571  13.10163       0.7026089 1.525967       1.794573  
1 1 1 10  6  44 o 98.87625 1.612840  98.70776       3.189222  98.71018       4.536173  98.70539       4.484749  -0.8438110E-02 3.225679  
1 1 1 10  6  45 o 17.23095 1.241402  2.953874       0.4219472 2.800000       0.5471078 3.179748       0.6628619 -1.082249      2.482803  
1 1 1 10  6  46 o 25.23269 0.8564955 6.193466       0.4235093 7.357215       0.6882010 5.484128       0.5372945 3.692692       1.712991  
1 1 1 10  6  47 o 44.91364 0.7277208 20.19832       0.6533357 20.98393       0.9422372 19.47085       0.9066995 1.680328       1.455442  
1 1 1 10  6  48 o 23.65256 0.8084822 5.629965       0.3809798 6.156490       0.5363452 5.093742       0.5412622 2.247276       1.616964  
1 1 1 10  6  49 o 13.71506 1.197071  1.879458       0.3212360 1.390648       0.4333469 2.475716       0.4786107 -3.946208      2.394141  
1 1 1 10  6  50 o 21.64057 0.8868527 4.716093       0.3826262 4.903140       0.5274380 4.508304       0.5559147 0.9172287      1.773705  
1 1 1 10  6  51 o 25.84303 0.8207507 6.657477       0.4221117 5.809683       0.5726663 7.666091       0.6246245 -3.582588      1.641501  
1 1 1 10  6  52 o 33.92664 0.7579014 11.55209       0.5142278 11.62179       0.7245412 11.48133       0.7299448 0.2079124      1.515803  
1 1 1 10  6  53 o 7.338438 1.567523  0.3509787      0.3360607 1.087432       0.4558849 -0.5254987     0.4973396 5.605339       3.135045  
1 1 1 10  6  54 o 5.418015 1.650734  -0.3897538E-01 0.3256186 0.3536210E-01  0.4580404 -0.1149275     0.4629881 0.3969145      3.301468  
1 1 1 10  7  0  o 78.03584 1.276072  59.68252       1.964839  68.34222       3.103959  53.89247       2.538083  9.256577       2.552145  
1 1 1 10  7  1  f 34.67279 0.8245757 11.97499       0.5706325 11.25072       0.7776040 12.82014       0.8399950 -2.263050      1.649151  
1 1 1 10  7  2  o 245.0152 3.617716  600.8650       17.72640  596.5330       24.87547  605.3344       25.26695  -1.792267      7.235432  
1 1 1 10  7  3  o 273.7770 4.036127  750.2845       22.09439  741.0091       30.83374  760.0735       31.67566  -3.472168      8.072253  
1 1 1 10  7  4  o 332.3649 4.907267  1105.259       32.57375  1135.918       47.58868  1078.231       44.68114  8.636139       9.814533  
1 1 1 10  7  5  o 292.0035 4.302081  854.0210       25.12356  858.0175       35.71147  850.1045       35.35141  1.350128       8.604162  
1 1 1 10  7  6  o 318.6913 3.319340  1014.461       21.11640  1051.243       31.03098  982.7375       28.81788  10.72339       6.638679  
1 1 1 10  7  7  o 105.3617 1.145590  109.4531       2.387179  101.1842       3.109330  121.3244       3.725584  -9.555046      2.291180  
1 1 1 10  7  8  o 179.5121 1.889246  320.7454       6.753243  339.1037       10.13189  306.0694       9.058976  9.193085       3.778491  
1 1 1 10  7  9  o 152.6468 1.614386  231.7703       4.905316  220.4425       6.565831  246.0799       7.379583  -8.391891      3.228772  
1 1 1 10  7  10 o 256.9088 2.679057  658.4971       13.72639  688.0744       20.34839  633.8000       18.59410  10.54066       5.358114  
1 1 1 10  7  11 o 57.82312 0.8479056 32.63454       0.9593363 24.32821       1.262239  43.99477       1.476150  -17.00487      1.695811  
1 1 1 10  7  12 o 86.52896 0.9649563 74.87041       1.669725  75.69078       2.384356  74.08096       2.338995  0.9299774      1.929913  
1 1 1 10  7  13 o 205.2920 2.150871  420.6637       8.810970  406.1336       11.98584  437.7478       12.99663  -7.686264      4.301743  
1 1 1 10  7  14 o 87.35887 0.9789638 75.53245       1.696092  82.31137       2.609662  70.57487       2.231713  6.714806       1.957928  
1 1 1 10  7  15 o 89.92076 0.9979884 80.37273       1.786301  76.03130       2.389842  85.86889       2.688949  -5.467812      1.995977  
1 1 1 10  7  16 o 220.6821 2.308928  487.5554       10.19006  484.3067       14.30881  490.8985       14.51524  -1.489655      4.617857  
1 1 1 10  7  17 o 82.54488 0.9341230 67.92440       1.538183  65.19617       2.087039  71.16858       2.275842  -3.616310      1.868246  
1 1 1 10  7  18 o 179.3004 2.321712  320.8940       7.807349  324.7406       13.70537  319.0460       9.499341  1.509491       4.643424  
1 1 1 10  7  19 o 85.86246 1.970636  73.75954       3.384074  73.75954       3.384074  ?              ?         ?              ?         
1 1 1 10  7  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  7  21 o 47.44586 1.082656  22.47958       0.9608674 22.40868       1.166956  22.62887       1.693259  -0.2263908     2.165313  
1 1 1 10  7  22 o 33.97433 0.6901526 11.37444       0.4531812 12.19083       0.7553435 10.91530       0.5664590 1.875793       1.380305  
1 1 1 10  7  23 o 84.42128 0.9558439 71.02047       1.609316  67.90121       2.179034  74.76352       2.386989  -4.061996      1.911688  
1 1 1 10  7  24 o 181.0749 1.909047  327.7943       6.903979  338.0034       10.08726  318.7974       9.469402  5.287689       3.818093  
1 1 1 10  7  25 f 89.01212 1.004119  79.26144       1.787504  78.70036       2.514246  79.83491       2.541805  -0.6368713     2.008238  
1 1 1 10  7  26 o 12.87377 0.9744380 1.693715       0.2375533 1.049265       0.3279118 2.405479       0.3446122 -5.267096      1.948876  
1 1 1 10  7  27 o 190.4300 2.006402  363.3987       7.639920  367.6650       10.94173  359.3399       10.67227  2.174652       4.012804  
1 1 1 10  7  28 o 168.7475 1.786624  285.3607       6.029694  284.5008       8.502211  286.2309       8.552564  -0.5105133     3.573248  
1 1 1 10  7  29 o 101.7112 1.123277  103.5202       2.284389  102.0905       3.186504  105.0319       3.276607  -1.443062      2.246554  
1 1 1 10  7  30 o 50.86242 0.6865305 25.87288       0.6981860 26.22379       1.001351  25.54088       0.9739863 0.6707153      1.373061  
1 1 1 10  7  31 o 25.80819 0.6224825 6.594183       0.3191411 5.637949       0.4294110 7.774099       0.4769979 -4.137459      1.244965  
1 1 1 10  7  32 o 20.71002 0.6881074 4.287622       0.2825420 5.088195       0.4098561 3.562629       0.3900303 3.682575       1.376215  
1 1 1 10  7  33 o 91.36646 1.029437  83.55341       1.880380  84.98140       2.705311  82.21869       2.615481  1.507584       2.058874  
1 1 1 10  7  34 o 93.51903 1.049974  87.52985       1.962640  89.43059       2.836180  85.78327       2.718728  1.943741       2.099947  
1 1 1 10  7  35 f 101.8033 1.133018  103.7514       2.305343  106.2774       3.335231  101.4403       3.190104  2.366707       2.266037  
1 1 1 10  7  36 o 19.60493 0.7665805 3.879214       0.2917409 5.133309       0.4234779 2.746346       0.4024897 6.086708       1.533161  
1 1 1 10  7  37 o 60.14027 0.9880107 36.38573       1.177073  37.39788       1.572886  35.09737       1.774569  1.926556       1.976021  
1 1 1 10  7  38 o 68.86043 0.8409559 47.27319       1.154673  44.86575       1.560712  50.18440       1.716256  -3.852226      1.681912  
1 1 1 10  7  39 o 29.19617 0.6635138 8.525022       0.3868827 9.188234       0.5559183 7.902129       0.5387547 2.201569       1.327028  
1 1 1 10  7  40 o 39.09430 0.6685838 15.28891       0.5225243 15.88835       0.7510319 14.72653       0.7274538 1.484428       1.337168  
1 1 1 10  7  41 o 19.06408 0.8362352 3.645596       0.3141148 4.516324       0.4562896 2.861233       0.4330702 4.338860       1.672470  
1 1 1 10  7  42 o 42.99743 1.040718  18.55955       0.8922477 18.44623       1.311830  18.65709       1.217141  -0.2562866     2.081437  
1 1 1 10  7  43 o 46.57397 0.7693089 21.52639       0.7045311 20.65036       0.9081750 22.85040       1.116494  -2.342072      1.538618  
1 1 1 10  7  44 o 42.92402 0.7043728 18.45503       0.6046088 18.18686       0.8466077 18.73416       0.8637417 -0.6359062     1.408746  
1 1 1 10  7  45 o 27.09161 1.162795  7.458926       0.6224070 6.265598       0.8938075 8.582335       0.8672270 -4.280048      2.325590  
1 1 1 10  7  46 o 14.91227 1.294842  2.235608       0.3630417 2.228474       0.4431891 2.250157       0.6329527 -0.3702354E-01 2.589683  
1 1 1 10  7  47 o 12.14455 1.699412  1.476500       0.3872800 1.265924       0.4834016 1.853881       0.6471321 -2.320727      3.398824  
1 1 1 10  7  48 o 37.99725 0.7203478 14.46053       0.5471457 15.02160       0.7883419 13.93908       0.7599978 1.420872       1.440696  
1 1 1 10  7  49 o 24.84436 0.7883382 6.192070       0.3911919 5.771810       0.5482756 6.627870       0.5583189 -1.721386      1.576676  
1 1 1 10  7  50 o 33.31884 0.7462653 11.03617       0.4947038 12.71838       0.7373646 9.659171       0.6671298 4.580359       1.492531  
1 1 1 10  7  51 o 37.46994 0.7470934 14.08924       0.5598357 14.06873       0.7870516 14.11024       0.7964869 -0.5381012E-01 1.494187  
1 1 1 10  7  52 o 27.50344 0.8257905 7.614317       0.4508731 8.813459       0.6453307 6.470747       0.6302004 4.256149       1.651581  
1 1 1 10  7  53 o 46.31568 0.7752856 21.53559       0.7179440 21.28112       1.000973  21.80519       1.030315  -0.5600929     1.550571  
1 1 1 10  7  54 o 23.45892 1.402009  5.461334       0.6508616 6.544546       1.008878  4.689101       0.8518358 3.900673       2.804019  
1 1 1 10  8  0  o 303.2993 4.466219  921.2186       27.08716  912.0595       37.88158  930.8008       38.74715  -3.078400      8.932438  
1 1 1 10  8  1  o 423.2210 6.226097  1796.620       52.69006  1815.943       75.40647  1778.185       73.65440  4.428253       12.45219  
1 1 1 10  8  2  f 138.4730 2.096635  191.8179       5.806482  192.5794       8.235352  191.0651       8.188065  0.5464478      4.193270  
1 1 1 10  8  3  o 163.0311 2.440817  265.7530       7.953951  271.0471       11.48572  260.8746       11.02556  3.116135       4.881634  
1 1 1 10  8  4  o 262.7597 3.877803  691.3726       20.37704  696.0708       29.03309  686.8113       28.60662  1.756287       7.755606  
1 1 1 10  8  5  o 67.93695 1.156984  45.29641       1.550711  51.34568       2.449725  41.25165       2.003141  7.427071       2.313968  
1 1 1 10  8  6  o 213.5728 3.169620  456.6433       13.53884  456.5833       19.11874  456.7036       19.17500  -0.2745056E-01 6.339241  
1 1 1 10  8  7  f 207.7281 2.177601  431.7461       9.046783  433.1624       12.84394  430.3517       12.74480  0.6756287      4.355202  
1 1 1 10  8  8  o 541.4697 5.645555  2943.614       61.12849  2968.958       87.35993  2919.301       85.56547  4.538696       11.29111  
1 1 1 10  8  9  f 112.4260 1.217050  126.4215       2.736530  126.6032       3.880478  126.2417       3.859682  0.1606674      2.434100  
1 1 1 10  8  10 o 111.4487 1.205607  124.0556       2.684151  120.7210       3.690562  127.8003       3.910942  -3.174576      2.411213  
1 1 1 10  8  11 o 312.1733 3.248075  975.5653       20.26748  994.3195       29.26396  958.2775       28.09674  5.750671       6.496150  
1 1 1 10  8  12 o 195.2770 2.049496  381.3146       7.998948  373.7402       11.07036  389.5891       11.57066  -4.051422      4.098991  
1 1 1 10  8  13 o 52.15211 0.6653278 27.10538       0.6923968 28.59288       1.022053  25.84362       0.9413157 2.635418       1.330656  
1 1 1 10  8  14 o 58.64037 0.7169309 34.32556       0.8398207 35.70378       1.224802  33.10260       1.153752  2.217510       1.433862  
1 1 1 10  8  15 o 58.01931 0.8981035 33.35200       0.9605705 34.48173       1.750378  32.86516       1.149053  1.388866       1.796207  
1 1 1 10  8  16 o 222.6476 3.304587  496.3480       14.70103  484.8529       20.26569  509.1158       21.35810  -5.420654      6.609174  
1 1 1 10  8  17 o 87.64809 1.407372  76.24825       2.452729  71.55605       3.262512  82.34743       3.719632  -6.150841      2.814744  
1 1 1 10  8  18 o 44.57206 0.8006718 20.28097       0.6672571 21.09315       0.8194695 18.68306       1.149437  2.705860       1.601344  
1 1 1 10  8  19 o 50.59950 0.6776288 24.69797       0.6712938 21.37475       0.8496209 30.21953       1.095158  -8.738441      1.355258  
1 1 1 10  8  20 o 111.9568 1.216242  125.3672       2.722821  124.0077       3.806610  126.7914       3.896257  -1.242111      2.432485  
1 1 1 10  8  21 o 132.9995 1.722132  179.0247       4.416030  184.9009       5.600382  169.3648       7.180477  5.869598       3.444263  
1 1 1 10  8  22 o 184.7066 2.746419  342.0005       10.14558  341.3367       14.31880  342.6696       14.37741  -0.3589783     5.492839  
1 1 1 10  8  23 o 106.5504 1.633940  113.2810       3.473025  108.9343       4.713217  118.4450       5.137341  -4.454109      3.267881  
1 1 1 10  8  24 o 125.6586 1.748543  156.5077       4.250922  164.3114       7.036505  152.0229       5.334388  4.845001       3.497086  
1 1 1 10  8  25 o 32.02508 0.6298851 10.25980       0.4033421 10.51743       0.5701561 10.00170       0.5706679 0.8052006      1.259770  
1 1 1 10  8  26 f 80.98640 0.9308617 65.44869       1.504954  68.32659       2.211576  62.96672       2.053822  3.306252       1.861723  
1 1 1 10  8  27 o 50.67918 0.6927205 25.54477       0.6993719 24.12396       0.9397097 27.30889       1.047106  -3.140553      1.385441  
1 1 1 10  8  28 o 92.52808 1.035682  85.67956       1.916542  85.20908       2.698431  86.15848       2.722529  -0.5123749     2.071363  
1 1 1 10  8  29 o 75.43600 0.8817820 56.93808       1.330240  56.42821       1.865934  57.46503       1.896936  -0.6863556     1.763564  
1 1 1 10  8  30 o 99.50103 1.104771  98.70963       2.191586  94.24489       2.960654  104.1215       3.259610  -4.951782      2.209543  
1 1 1 10  8  31 o 68.05654 0.8198355 46.31297       1.115226  47.44973       1.611672  45.26859       1.544790  1.600220       1.639671  
1 1 1 10  8  32 o 46.67282 0.6706203 21.77439       0.6256778 21.06838       0.8685140 22.53609       0.9021270 -1.571320      1.341241  
1 1 1 10  8  33 o 93.39854 1.048864  87.20578       1.956596  84.46484       2.683782  90.31537       2.858572  -3.123070      2.097728  
1 1 1 10  8  34 o 81.11949 0.9386389 65.82520       1.521769  64.21235       2.104656  67.59217       2.202917  -2.078300      1.877278  
1 1 1 10  8  35 o 80.06866 0.9317626 64.07989       1.490167  61.96241       2.045035  66.47699       2.175876  -2.812225      1.863525  
1 1 1 10  8  36 o 24.26732 0.8103735 5.962514       0.3758928 6.131114       0.4708201 5.666130       0.6242456 0.9662666      1.620747  
1 1 1 10  8  37 o 27.77180 0.6647967 7.666683       0.3674395 8.825797       0.5429392 6.687195       0.4991002 3.848270       1.329593  
1 1 1 10  8  38 o 57.61092 0.7602249 33.22154       0.8757831 32.52896       1.224773  33.94617       1.252791  -1.228268      1.520450  
1 1 1 10  8  39 o 46.63793 0.6954042 21.77602       0.6486266 21.96780       0.9211872 21.58746       0.9134549 0.4072914      1.390808  
1 1 1 10  8  40 o 11.96382 1.904166  1.486423       0.4419900 1.650812       0.6733814 1.361991       0.5858551 1.145837       3.808331  
1 1 1 10  8  41 f 34.08790 0.8544332 11.99861       0.5468333 12.77737       0.6793303 10.56524       0.9216344 3.266254       1.708866  
1 1 1 10  8  42 o 45.53719 0.7007354 20.68559       0.6368855 19.30735       0.8688045 22.28653       0.9363699 -3.265591      1.401471  
1 1 1 10  8  43 o 67.26796 0.8437920 45.36707       1.135193  45.09475       1.602688  45.64125       1.608135  -0.4056168     1.687584  
1 1 1 10  8  44 o 42.79374 0.7171472 18.19029       0.6110446 20.18486       0.9176396 16.60133       0.8190370 4.177341       1.434294  
1 1 1 10  8  45 o 73.48434 1.314501  54.27679       1.929991  51.77756       2.660345  57.05356       2.804170  -3.562363      2.629002  
1 1 1 10  8  46 o 30.96244 0.7223539 9.576818       0.4461416 10.61317       0.6500012 8.653707       0.6134620 3.160202       1.444708  
1 1 1 10  8  47 o 34.65646 0.7200137 12.01871       0.4985525 11.53371       0.6864403 12.56014       0.7252812 -1.475979      1.440027  
1 1 1 10  8  48 o 12.33178 1.693842  1.663752       0.3909550 1.922057       0.4973463 1.246000       0.6324880 2.951970       3.387684  
1 1 1 10  8  49 o 21.85233 0.9364105 4.782461       0.4054523 4.910437       0.6205497 4.687132       0.5355803 0.4956036      1.872821  
1 1 1 10  8  50 o 40.86889 0.7519289 16.74337       0.6143537 17.32489       0.8836228 16.19923       0.8547511 1.372719       1.503858  
1 1 1 10  8  51 o 34.30896 0.7643168 11.80281       0.5241475 11.49822       0.7261190 12.13419       0.7573819 -0.9215317     1.528634  
1 1 1 10  8  52 o 85.84058 1.034673  74.19555       1.776225  73.35569       2.495061  75.05857       2.529211  -0.9836731     2.069346  
1 1 1 10  8  53 o 37.27882 1.173783  13.84176       0.8338351 14.66043       1.431150  13.42104       1.025961  1.543751       2.347566  
1 1 1 10  8  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  9  0  f 527.6919 7.772468  2793.492       81.83916  2699.314       111.3110  2904.301       120.7392  -19.17242      15.54494  
1 1 1 10  9  1  o 208.6662 3.096593  435.1347       12.90555  448.6302       18.84840  423.2237       17.70741  6.075317       6.193186  
1 1 1 10  9  2  o 545.0475 8.031325  2989.364       87.51391  2942.967       121.7135  3039.023       125.9204  -8.686829      16.06265  
1 1 1 10  9  3  o 301.6791 4.445940  912.0182       26.82340  906.6145       37.69262  917.5627       38.18010  -1.806122      8.891879  
1 1 1 10  9  4  o 369.0151 5.432466  1365.810       40.07830  1346.097       55.77722  1386.852       57.62658  -5.480835      10.86493  
1 1 1 10  9  5  o 210.1697 3.122815  441.6893       13.11202  431.0738       18.04547  453.5626       19.08453  -5.335938      6.245631  
1 1 1 10  9  6  o 22.09278 0.9683176 4.881042       0.4278355 4.829795       0.6015103 4.933512       0.6086546 -0.2346992     1.936635  
1 1 1 10  9  7  f 221.0376 2.312902  488.9433       10.22475  488.5096       14.44244  489.3791       14.47758  -0.1962891     4.625805  
1 1 1 10  9  8  f 152.0519 1.609289  231.0757       4.890206  236.4692       7.083101  226.1633       6.759812  3.386200       3.218578  
1 1 1 10  9  9  f 136.3639 1.452822  184.3397       3.932720  199.2778       6.018401  173.2080       5.195343  9.552094       2.905644  
1 1 1 10  9  10 o 310.6191 3.235270  966.2776       20.09232  979.2119       28.85104  954.0971       27.99784  4.025574       6.470541  
1 1 1 10  9  11 o 206.1451 2.160625  424.6669       8.896351  437.9182       12.98679  412.9504       12.21164  6.044388       4.321249  
1 1 1 10  9  12 o 114.3182 1.528026  129.7057       3.247879  133.5799       5.820963  127.9544       3.913737  2.438744       3.056052  
1 1 1 10  9  13 o 172.7364 2.584926  297.5780       8.898664  313.1493       13.26950  284.8523       11.99588  8.164307       5.169851  
1 1 1 10  9  14 o 107.1066 1.670096  114.5764       3.572108  118.4843       5.228077  111.1546       4.892092  3.417259       3.340192  
1 1 1 10  9  15 o 126.1179 1.654488  160.6330       3.988260  164.3573       4.987989  154.0317       6.640800  4.114647       3.308976  
1 1 1 10  9  16 o 122.7156 1.322923  150.3031       3.240638  156.0497       4.763309  145.3513       4.421648  4.355247       2.645846  
1 1 1 10  9  17 o 117.6577 1.277079  138.3517       3.003230  142.2490       4.343514  134.7818       4.157036  3.171127       2.554158  
1 1 1 10  9  18 o 114.2228 1.238530  130.2407       2.824523  126.0162       3.860856  135.1053       4.143011  -3.975403      2.477059  
1 1 1 10  9  19 o 161.9657 1.713666  262.5412       5.550983  263.3953       7.880812  261.7003       7.820093  0.5222015      3.427331  
1 1 1 10  9  20 o 133.0681 1.428953  177.1286       3.801901  175.0798       5.302916  179.2955       5.453652  -1.581711      2.857906  
1 1 1 10  9  21 o 157.3111 1.667784  247.5236       5.244207  252.3884       7.571620  243.0381       7.270403  2.966156       3.335568  
1 1 1 10  9  22 o 54.50397 0.7126015 29.55471       0.7744804 31.79666       1.150774  27.69847       1.047112  3.758595       1.425203  
1 1 1 10  9  23 o 152.3766 1.620392  232.2018       4.933970  226.9853       6.810687  237.9633       7.157608  -3.593948      3.240785  
1 1 1 10  9  24 o 88.85455 1.211644  79.13292       2.050642  79.42786       2.541159  78.58227       3.472184  0.4939117      2.423287  
1 1 1 10  9  25 o 84.51530 1.333812  70.92802       2.241024  66.63711       2.978592  76.52562       3.402023  -5.839531      2.667625  
1 1 1 10  9  26 o 83.44603 1.318595  69.70014       2.200412  69.13905       3.085787  70.28059       3.138588  -0.6824417     2.637191  
1 1 1 10  9  27 o 36.91020 0.7942291 12.88172       0.5693200 17.16333       0.9526674 10.50314       0.7100614 9.017242       1.588458  
1 1 1 10  9  28 f 68.20430 0.8242614 46.54055       1.124276  46.91996       1.602088  46.17241       1.578116  0.5474319      1.648523  
1 1 1 10  9  29 o 114.5939 1.249575  131.4465       2.862736  129.2829       3.981449  133.7622       4.119099  -1.948654      2.499150  
1 1 1 10  9  30 o 33.41344 0.6174018 11.12115       0.4116937 11.98258       0.6063418 10.38435       0.5607706 2.390514       1.234804  
1 1 1 10  9  31 f 41.04550 0.6423326 16.79486       0.5263025 15.82282       0.7182387 17.92204       0.7734302 -2.555611      1.284665  
1 1 1 10  9  32 o 75.21197 0.8866103 56.41010       1.330009  59.47206       1.971709  53.85365       1.801611  3.727905       1.773221  
1 1 1 10  9  33 o 69.94243 0.8427439 48.78725       1.175922  46.50543       1.595634  51.49972       1.739699  -3.563957      1.685488  
1 1 1 10  9  34 o 42.93874 0.6569996 18.34772       0.5626024 19.91026       0.8343620 17.04496       0.7618528 3.333858       1.313999  
1 1 1 10  9  35 o 140.2301 1.950923  198.0053       5.371529  198.1514       6.965795  197.7911       8.436801  0.3074493      3.901846  
1 1 1 10  9  36 o 69.58047 0.8454361 48.19306       1.171641  51.59085       1.756996  45.47224       1.572255  4.385818       1.690872  
1 1 1 10  9  37 o 20.23033 0.7580437 4.107038       0.3059571 4.281897       0.4242202 3.917483       0.4416855 0.9016571      1.516087  
1 1 1 10  9  38 o 68.96117 1.131089  46.19241       1.470956  52.18765       2.616283  43.42135       1.778708  6.276192       2.262179  
1 1 1 10  9  39 o 94.18491 1.539623  89.14688       2.897590  86.33577       3.995725  92.26484       4.208145  -3.116356      3.079245  
1 1 1 10  9  40 o 37.28843 0.6683565 13.87376       0.4975601 14.92529       0.7286135 12.95490       0.6810997 2.638771       1.336713  
1 1 1 10  9  41 o 60.28754 0.7920539 36.20741       0.9520031 33.76413       1.285646  39.17342       1.416520  -4.474567      1.584108  
1 1 1 10  9  42 o 77.74860 0.9293919 60.62278       1.445002  61.12874       2.062788  60.13526       2.024825  0.6345444      1.858784  
1 1 1 10  9  43 o 56.21582 0.7692914 31.58708       0.8634408 30.26245       1.179556  33.11621       1.267345  -2.529144      1.538583  
1 1 1 10  9  44 o 67.44417 0.8531722 45.60668       1.150585  46.15793       1.647683  45.08206       1.607411  0.7927780      1.706344  
1 1 1 10  9  45 o 59.81613 0.8057093 35.86538       0.9636496 36.33896       1.381393  35.41645       1.344950  0.7668037      1.611419  
1 1 1 10  9  46 o 38.61436 0.7122975 14.93557       0.5499022 14.46378       0.7663482 15.43633       0.7895281 -1.256573      1.424595  
1 1 1 10  9  47 o 26.19973 0.7643656 6.893077       0.4000062 7.169765       0.5598358 6.604496       0.5717403 1.080370       1.528731  
1 1 1 10  9  48 o 25.56220 0.8016118 6.586867       0.4076605 7.252599       0.5708898 5.894214       0.5823179 2.658686       1.603224  
1 1 1 10  9  49 o 30.62661 0.9031088 9.540151       0.5282084 9.838315       0.6615863 9.015937       0.8772308 1.380701       1.806218  
1 1 1 10  9  50 o 42.26121 0.9770361 17.82976       0.8209816 16.78083       1.092076  19.19296       1.244979  -2.820885      1.954072  
1 1 1 10  9  51 o 35.46689 0.7648834 12.62478       0.5425460 12.69954       0.7707588 12.55136       0.7638398 0.2077179      1.529767  
1 1 1 10  9  52 o 13.80767 2.900145  1.797072       0.8069859 1.350394       0.9583609 2.885608       1.496073  -4.723264      5.800290  
1 1 1 10  9  53 o 35.01308 1.004192  12.16304       0.6958234 11.16732       0.9078025 13.58125       1.083409  -3.404125      2.008383  
1 1 1 10  10 0  o 358.6948 3.733656  1288.529       26.78102  1300.883       38.26400  1276.666       37.49585  3.363770       7.467313  
1 1 1 10  10 1  o 136.6949 2.073159  186.8111       5.663927  183.3388       7.839295  190.6031       8.192371  -2.653976      4.146317  
1 1 1 10  10 2  o 205.1037 3.050040  421.1619       12.51127  423.2108       17.75830  419.1426       17.62962  0.9899445      6.100080  
1 1 1 10  10 3  o 194.9289 2.899778  379.2810       11.27673  365.5961       15.31329  395.4945       16.66811  -7.650558      5.799556  
1 1 1 10  10 4  o 75.34920 1.261025  56.78380       1.900004  56.59416       2.659924  56.98137       2.714944  -0.2565994     2.522050  
1 1 1 10  10 5  o 213.3445 3.171950  454.5267       13.50027  438.6456       18.33282  473.3419       19.95467  -8.104919      6.343899  
1 1 1 10  10 6  o 286.7817 2.992166  823.4065       17.15913  832.1732       24.53606  815.0145       24.00597  2.982941       5.984332  
1 1 1 10  10 7  o 129.6887 1.386591  167.5923       3.584975  176.0524       5.332211  160.6136       4.842881  5.948311       2.773181  
1 1 1 10  10 8  o 123.1146 1.323476  151.5101       3.256888  148.6124       4.514275  154.6556       4.703417  -2.452759      2.646952  
1 1 1 10  10 9  o 236.6891 3.032650  562.2841       13.57371  557.8915       23.32416  564.5336       16.69135  -1.537994      6.065300  
1 1 1 10  10 10 o 197.1260 2.934978  389.2897       11.57119  388.8556       16.34579  389.7256       16.38254  -0.2198639     5.869957  
1 1 1 10  10 11 o 154.9526 2.331679  240.3871       7.225759  241.5665       10.26888  239.2305       10.16938  0.7519531      4.663358  
1 1 1 10  10 12 o 195.8711 2.520078  384.9215       9.329694  386.4016       11.46604  382.0218       16.04936  1.209549       5.040156  
1 1 1 10  10 13 o 344.0594 3.581173  1186.269       24.62751  1210.112       35.58355  1164.347       34.11968  6.609863       7.162345  
1 1 1 10  10 14 o 96.92085 1.068240  93.93473       2.070281  92.73355       2.892934  95.19565       2.963999  -1.269562      2.136481  
1 1 1 10  10 15 o 188.6708 1.983070  355.7994       7.473873  366.0890       10.89542  346.6548       10.27146  5.139694       3.966140  
1 1 1 10  10 16 o 123.3562 1.330618  151.5287       3.270337  160.0357       4.887418  144.6317       4.400692  6.237846       2.661237  
1 1 1 10  10 17 o 269.8886 2.817042  729.8259       15.20360  736.5281       21.72023  723.3876       21.28854  2.422943       5.634085  
1 1 1 10  10 18 f 211.1691 2.214124  446.1780       9.344229  455.8549       13.52762  437.3473       12.92260  4.368546       4.428247  
1 1 1 10  10 19 o 152.4405 1.620315  231.8354       4.926763  223.1969       6.680941  242.1330       7.294395  -6.200165      3.240631  
1 1 1 10  10 20 o 139.8669 1.494375  195.7689       4.180243  196.1244       5.924559  195.4165       5.899038  0.2525940      2.988749  
1 1 1 10  10 21 o 67.95490 0.8147985 46.15043       1.106737  45.10121       1.533415  47.29129       1.598967  -1.610741      1.629597  
1 1 1 10  10 22 o 47.07381 0.6622089 22.13657       0.6229765 21.50036       0.8606627 22.83674       0.9028975 -1.419033      1.324418  
1 1 1 10  10 23 o 16.74353 0.7371424 2.807391       0.2464976 2.645498       0.3496066 2.967434       0.3476025 -0.9613991     1.474285  
1 1 1 10  10 24 f 9.035242 1.171885  0.8340150      0.2067119 0.9167277      0.2916693 0.7505429      0.2930048 1.072862       2.343771  
1 1 1 10  10 25 o 106.0869 1.165839  112.4036       2.469530  116.5793       3.619880  108.7682       3.377581  3.675270       2.331678  
1 1 1 10  10 26 o 71.49388 1.027089  50.09993       1.367351  48.37031       1.642056  54.01162       2.469418  -3.924355      2.054177  
1 1 1 10  10 27 o 75.89996 1.220193  57.66995       1.852001  57.09384       2.593469  58.26943       2.645558  -0.7725449     2.440386  
1 1 1 10  10 28 f 109.9172 1.684517  120.8477       3.695890  116.7277       5.040597  125.6381       5.435241  -4.031021      3.369034  
1 1 1 10  10 29 o 63.37047 0.9392362 40.19476       1.138710  40.19553       1.912993  40.19434       1.417117  -0.1596832E-01 1.878472  
1 1 1 10  10 30 o 50.95849 0.6928089 25.89512       0.7043771 27.20457       1.041114  24.78978       0.9565313 2.366802       1.385618  
1 1 1 10  10 31 f 58.83451 0.7495323 34.47673       0.8791102 36.62283       1.309000  32.71349       1.186505  3.318047       1.499065  
1 1 1 10  10 32 o 69.35107 0.8372243 47.79319       1.155710  44.72931       1.545046  51.68508       1.741346  -5.006523      1.674449  
1 1 1 10  10 33 o 105.9565 1.172437  112.0963       2.477654  107.3377       3.356261  117.7952       3.672984  -4.914589      2.344875  
1 1 1 10  10 34 o 70.47585 1.172670  49.75195       1.651896  48.92525       2.289410  50.64975       2.385840  -1.216721      2.345340  
1 1 1 10  10 35 o 72.21133 0.8691537 51.96209       1.251111  49.17682       1.687724  55.35981       1.864066  -4.270485      1.738307  
1 1 1 10  10 36 o 60.27400 0.9913201 36.08451       1.093894  37.18950       2.015794  35.62329       1.302331  1.249496       1.982640  
1 1 1 10  10 37 o 59.77787 1.140515  35.76133       1.360697  37.03338       2.002682  34.67059       1.854483  1.962387       2.281031  
1 1 1 10  10 38 f 30.20953 0.6670959 9.121710       0.4026998 8.777518       0.5555418 9.502816       0.5845737 -1.198690      1.334192  
1 1 1 10  10 39 o 55.84155 0.7526484 31.21511       0.8402874 30.51318       1.169598  31.96393       1.208025  -1.296013      1.505297  
1 1 1 10  10 40 o 84.85443 0.9874745 72.11689       1.673995  74.28413       2.437163  70.18122       2.303280  2.403282       1.974949  
1 1 1 10  10 41 o 32.74141 0.6826836 10.68189       0.4458234 9.736142       0.6074079 11.78642       0.6564198 -3.127026      1.365367  
1 1 1 10  10 42 o 69.10759 0.8597576 47.81927       1.187270  46.27769       1.637526  49.52779       1.723907  -2.341789      1.719515  
1 1 1 10  10 43 f 63.52746 0.8181428 40.46131       1.039470  40.52222       1.475144  40.40124       1.464975  0.9408569E-01  1.636286  
1 1 1 10  10 44 o 63.14465 0.8238988 39.96036       1.040114  40.84151       1.495963  39.13578       1.447138  1.344776       1.647798  
1 1 1 10  10 45 o 43.40752 0.7164491 18.86653       0.6216830 19.50730       0.8960519 18.27182       0.8632504 1.419468       1.432898  
1 1 1 10  10 46 o 38.00187 0.7180169 14.48043       0.5456270 14.74772       0.7702384 14.21120       0.7730355 0.7062607      1.436034  
1 1 1 10  10 47 o 16.01269 1.026099  2.584089       0.3277659 2.717062       0.4558539 2.441766       0.4716095 0.8624792      2.052198  
1 1 1 10  10 48 f 20.52072 0.8853006 4.209097       0.3624339 3.852316       0.4945062 4.623190       0.5327450 -1.871761      1.770601  
1 1 1 10  10 49 o 59.48458 0.8258169 35.50989       0.9820413 35.95317       1.413183  35.09590       1.365668  0.7125854      1.651634  
1 1 1 10  10 50 o 43.19286 1.087063  18.66087       0.8840682 19.19098       1.545046  18.40283       1.077978  0.8012238      2.174126  
1 1 1 10  10 51 o 44.02193 1.390262  19.50172       1.224040  19.50172       1.224040  ?              ?         ?              ?         
1 1 1 10  10 52 o 31.74677 0.9825993 10.12271       0.6217185 9.861124       0.8402976 10.43912       0.9241585 -0.8895435     1.965199  
1 1 1 10  10 53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  11 0  o 260.4529 2.718746  678.4762       14.15111  664.7381       19.55816  693.5698       20.50046  -5.521942      5.437492  
1 1 1 10  11 1  o 535.8512 5.584223  2883.020       59.81762  2837.917       83.07958  2931.571       86.19624  -8.648315      11.16845  
1 1 1 10  11 2  o 277.5898 2.896044  770.1102       16.05218  747.9467       21.96716  795.5053       23.51412  -8.542297      5.792088  
1 1 1 10  11 3  o 282.2609 2.944811  797.3886       16.61657  784.9189       23.08840  810.7875       23.93313  -4.568512      5.889621  
1 1 1 10  11 4  o 357.8055 3.727233  1281.201       26.63618  1247.578       36.54957  1319.285       38.89856  -9.969330      7.454467  
1 1 1 10  11 5  o 180.0383 1.895484  324.2115       6.822930  329.1036       9.801678  319.6126       9.503395  2.632324       3.790968  
1 1 1 10  11 6  o 319.7416 4.071430  1029.770       24.73876  1011.673       41.96696  1039.406       30.62555  -4.636261      8.142859  
1 1 1 10  11 7  o 311.6520 4.602325  973.8012       28.64609  1003.879       41.85959  947.3083       39.28614  8.992096       9.204651  
1 1 1 10  11 8  o 153.9072 2.318704  236.4913       7.120822  246.3895       10.50723  228.0837       9.683819  5.932526       4.637408  
1 1 1 10  11 9  o 194.3981 2.474947  383.4138       9.302995  399.4462       11.87807  357.9743       14.96235  10.72699       4.949893  
1 1 1 10  11 10 f 80.64748 0.9238328 65.02332       1.489743  66.47612       2.135024  63.64486       2.079696  1.754921       1.847666  
1 1 1 10  11 11 o 445.5641 4.638549  1993.606       41.31459  2028.335       59.56417  1961.406       57.35379  7.430328       9.277098  
1 1 1 10  11 12 o 148.2921 1.575124  220.0266       4.671569  220.0608       6.607349  219.9924       6.605843  0.2304077E-01  3.150248  
1 1 1 10  11 13 o 248.0079 2.590687  614.6289       12.82437  594.9967       17.48659  637.4768       18.86447  -8.534485      5.181374  
1 1 1 10  11 14 o 39.74152 0.5976927 15.71475       0.4736187 14.79591       0.6399714 16.82736       0.7042255 -2.555485      1.195385  
1 1 1 10  11 15 o 43.63345 0.6238255 19.04087       0.5443520 19.34957       0.7711938 18.73433       0.7684733 0.7049904      1.247651  
1 1 1 10  11 16 o 152.9885 1.624650  233.7854       4.963146  226.9098       6.793387  241.6566       7.268581  -4.812057      3.249300  
1 1 1 10  11 17 f 61.85955 0.8329241 37.78942       1.002993  36.26806       1.267877  40.33381       1.639652  -3.283043      1.665848  
1 1 1 10  11 18 o 103.7270 1.139717  106.0257       2.336526  97.84610       3.036738  117.8943       3.658001  -9.656105      2.279433  
1 1 1 10  11 19 f 155.8172 1.654036  243.0014       5.154353  241.8749       7.252054  244.1514       7.327237  -0.7290497     3.308072  
1 1 1 10  11 20 o 65.90070 0.8688028 42.95418       1.118342  41.28828       1.422613  45.64905       1.809390  -3.304169      1.737606  
1 1 1 10  11 21 o 112.1112 1.222876  125.6925       2.740671  123.3817       3.805949  128.1813       3.949844  -2.137871      2.445753  
1 1 1 10  11 22 o 20.77283 0.6757228 4.254818       0.2732934 3.039847       0.3644783 5.815216       0.4130537 -6.679760      1.351446  
1 1 1 10  11 23 f 66.50287 0.8068040 44.21966       1.072764  45.10843       1.540745  43.38339       1.494544  1.296265       1.613608  
1 1 1 10  11 24 o 153.9519 1.638616  237.4111       5.045347  237.2694       7.126315  237.5535       7.144116  -0.9162903E-01 3.277231  
1 1 1 10  11 25 o 47.06763 0.6653063 22.14329       0.6260396 21.50440       0.8708634 22.82654       0.9005921 -1.404011      1.330613  
1 1 1 10  11 26 o 36.32549 0.6192232 13.18792       0.4496707 12.76755       0.6250345 13.63894       0.6474168 -1.199001      1.238446  
1 1 1 10  11 27 o 90.02588 1.017659  80.69516       1.825115  76.55820       2.452958  85.82568       2.731686  -5.137665      2.035318  
1 1 1 10  11 28 o 38.86502 0.6341513 15.11107       0.4929250 15.15580       0.6977514 15.06651       0.6964528 0.1148376      1.268303  
1 1 1 10  11 29 o 87.84177 1.283756  76.27806       2.184916  73.31660       2.742157  81.42730       3.615854  -4.568130      2.567512  
1 1 1 10  11 30 o 65.40894 1.092558  42.80702       1.428319  43.99332       2.066249  41.72140       1.976627  1.732201       2.185115  
1 1 1 10  11 31 o 98.82899 1.399326  98.44755       2.739765  93.89658       4.114329  102.0734       3.672441  -4.167778      2.798653  
1 1 1 10  11 32 o 54.32413 0.7220138 29.48966       0.7838561 28.26174       1.083983  30.83551       1.134845  -2.366917      1.444028  
1 1 1 10  11 33 o 58.26311 1.013497  33.96138       1.180070  35.03928       1.710647  32.98270       1.630014  1.760147       2.026993  
1 1 1 10  11 34 o 46.39479 0.9007440 21.40153       0.7534071 21.92083       1.422960  21.19925       0.8881039 0.7455673      1.801488  
1 1 1 10  11 35 o 84.13905 1.413962  71.07742       2.379203  70.86331       3.382982  71.28696       3.346714  -0.2553558     2.827924  
1 1 1 10  11 36 o 96.77936 1.182995  93.68365       2.256927  92.35982       2.942663  95.57487       3.517182  -1.606598      2.365991  
1 1 1 10  11 37 o 38.98192 0.6649866 15.19096       0.5180746 14.50732       0.7177511 15.93453       0.7485555 -1.828808      1.329973  
1 1 1 10  11 38 o 31.14483 0.6795048 9.584761       0.4196694 11.53690       0.6320241 8.045278       0.5612616 5.600660       1.359010  
1 1 1 10  11 39 o 96.49640 1.095242  93.42641       2.113255  94.51132       3.027400  92.39540       2.951243  1.087547       2.190484  
1 1 1 10  11 40 o 38.99571 0.6801925 15.19918       0.5299575 14.41997       0.7311897 16.06151       0.7692006 -2.101772      1.360385  
1 1 1 10  11 41 o 102.1846 1.151691  104.8830       2.353090  106.1654       3.373867  103.6684       3.283514  1.208611       2.303382  
1 1 1 10  11 42 o 19.87241 0.8201545 3.966997       0.3249485 4.333979       0.4600073 3.601483       0.4590872 1.842897       1.640309  
1 1 1 10  11 43 o 99.56088 1.131941  99.42310       2.250068  103.1232       3.300525  96.21030       3.075530  3.435341       2.263882  
1 1 1 10  11 44 o 5.035976 1.516982  -0.8186671E-02 0.2689702 -0.7048915E-01 0.3721559 0.5994524E-01  0.3891774 -0.5382581     3.033964  
1 1 1 10  11 45 o 39.33195 0.7139234 15.47889       0.5610535 16.39419       0.8128064 14.64586       0.7754127 2.218025       1.427847  
1 1 1 10  11 46 o 20.83968 0.8448819 4.358216       0.3521244 4.342262       0.4951926 4.374534       0.5008132 -0.7658958E-01 1.689764  
1 1 1 10  11 47 f 23.99378 0.8061036 5.761891       0.3861829 5.534634       0.5278414 6.023651       0.5664952 -1.013294      1.612207  
1 1 1 10  11 48 o 49.05063 0.7592617 24.08422       0.7440109 22.90526       1.023969  25.40275       1.082881  -2.536919      1.518523  
1 1 1 10  11 49 o 48.30502 1.188483  23.56353       1.145078  23.21227       1.675241  23.87155       1.568768  -0.7105064     2.376967  
1 1 1 10  11 50 o 21.60881 0.8947139 4.702707       0.3858654 4.943634       0.5386965 4.448839       0.5529755 1.147741       1.789428  
1 1 1 10  11 51 f 17.73965 1.290852  3.167662       0.4494816 3.103864       0.5797381 3.263806       0.7116886 -0.4092312     2.581704  
1 1 1 10  11 52 o 9.284396 1.972421  0.9103504      0.4019367 1.078407       0.5198742 0.6606168      0.6337371 1.587330       3.944843  
1 1 1 10  12 0  o 265.3669 2.767776  704.7327       14.68246  717.4062       21.16089  692.9671       20.38888  4.591644       5.535553  
1 1 1 10  12 1  o 131.5454 1.408055  172.7404       3.698438  167.1137       5.059249  179.1986       5.420145  -4.590179      2.816109  
1 1 1 10  12 2  o 129.8296 1.719376  167.0046       4.140946  173.0341       7.463808  164.3234       4.977209  3.326874       3.438752  
1 1 1 10  12 3  o 307.5319 4.542518  949.5522       27.93894  946.9701       39.38221  952.1686       39.64234  -0.8370361     9.085036  
1 1 1 10  12 4  o 161.1862 2.422909  260.0639       7.809340  263.0339       11.17407  257.2282       10.91851  1.796432       4.845818  
1 1 1 10  12 5  o 280.8908 4.158792  791.7589       23.35856  783.2526       32.64238  800.6857       33.44006  -3.077820      8.317584  
1 1 1 10  12 6  o 244.0461 3.106073  602.2041       14.52374  616.1453       18.21974  577.9044       24.05426  7.976959       6.212146  
1 1 1 10  12 7  o 323.6988 3.371901  1049.934       21.81908  1068.812       31.44679  1032.409       30.29889  5.591553       6.743801  
1 1 1 10  12 8  o 78.93599 0.8981213 62.19111       1.415493  60.23156       1.935463  64.44445       2.075482  -2.667549      1.796243  
1 1 1 10  12 9  o 65.57312 0.7861103 42.81272       1.027759  45.36653       1.528446  40.70501       1.388547  3.553589       1.572221  
1 1 1 10  12 10 o 129.9339 1.399589  168.6382       3.631579  164.4032       4.976654  173.4621       5.311324  -3.482285      2.799178  
1 1 1 10  12 11 o 73.80783 0.8541493 54.47583       1.260712  55.09010       1.799706  53.88395       1.766588  0.8168564      1.708299  
1 1 1 10  12 12 o 121.0952 1.306385  145.0098       3.133799  135.2602       4.106136  158.6111       4.849854  -9.632927      2.612770  
1 1 1 10  12 13 o 277.7814 2.898193  772.9190       16.09422  761.1105       22.36896  785.5924       23.17369  -4.385376      5.796386  
1 1 1 10  12 14 o 42.63305 0.6877777 17.08300       0.5515015 15.20933       0.6601611 21.41147       1.003395  -7.271599      1.375555  
1 1 1 10  12 15 o 119.0415 1.288522  141.4633       3.061759  137.0765       4.177183  146.5563       4.500874  -3.977440      2.577044  
1 1 1 10  12 16 o 87.91721 0.9934331 76.53069       1.733803  83.61649       2.655503  71.26564       2.289043  7.020187       1.986866  
1 1 1 10  12 17 o 67.75589 0.9015063 42.74352       1.128189  38.26229       1.329405  54.27778       2.132815  -11.81026      1.803013  
1 1 1 10  12 18 o 247.6105 2.589587  614.4918       12.82326  610.7402       18.00723  618.3517       18.26517  -1.528763      5.179173  
1 1 1 10  12 19 o 216.0926 2.267870  467.4413       9.793097  457.2323       13.52052  478.7082       14.20379  -4.947495      4.535741  
1 1 1 10  12 20 o 71.13930 0.8433743 50.61551       1.199802  50.09574       1.681238  51.15494       1.712752  -0.7440414     1.686749  
1 1 1 10  12 21 o 131.0221 1.409022  171.7471       3.690815  169.0383       5.133975  174.6444       5.309659  -2.135208      2.818043  
1 1 1 10  12 22 o 72.13725 0.8555229 52.04686       1.234097  52.70701       1.764901  51.41529       1.726294  0.8946686      1.711046  
1 1 1 10  12 23 f 36.61403 0.6233233 13.22896       0.4533684 11.68570       0.6019962 15.25122       0.6891181 -4.867828      1.246647  
1 1 1 10  12 24 o 147.6205 1.576285  217.8732       4.646124  225.5545       6.809907  211.1841       6.354890  4.848969       3.152570  
1 1 1 10  12 25 o 27.75120 0.6095246 7.663652       0.3373290 8.495012       0.4965467 6.951122       0.4596925 2.780987       1.219049  
1 1 1 10  12 26 o 85.46918 0.9761985 72.58098       1.659683  78.11150       2.510143  68.28516       2.212268  5.738731       1.952397  
1 1 1 10  12 27 o 110.4456 1.211614  122.1600       2.676227  121.4608       3.763205  122.8754       3.806682  -0.6385117     2.423227  
1 1 1 10  12 28 o 57.24918 0.7429142 32.62457       0.8479805 34.98832       1.261568  30.67643       1.145297  3.762138       1.485828  
1 1 1 10  12 29 o 55.79965 0.7307062 31.15364       0.8154066 30.80944       1.145014  31.50781       1.161481  -0.6252327     1.461412  
1 1 1 10  12 30 o 34.28739 0.6295988 11.76011       0.4316503 11.41536       0.6058459 12.11553       0.6151520 -1.020748      1.259198  
1 1 1 10  12 31 f 30.78704 0.7053705 9.317788       0.4241796 8.756325       0.5375711 10.24414       0.6905009 -2.410500      1.410741  
1 1 1 10  12 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  12 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  12 34 o 77.55229 0.9791114 60.37616       1.508426  59.19194       2.256473  61.33289       2.028210  -1.395943      1.958223  
1 1 1 10  12 35 o 77.10437 0.9125946 59.56108       1.407293  59.47908       1.992599  59.64268       1.987835  -0.1064377     1.825189  
1 1 1 10  12 36 o 63.79283 0.8048950 40.66932       1.025690  38.92053       1.408996  42.64076       1.496002  -2.909847      1.609790  
1 1 1 10  12 37 o 42.52596 0.6756338 18.10597       0.5745848 17.75690       0.8090429 18.46121       0.8161754 -0.8276215     1.351268  
1 1 1 10  12 38 o 55.01845 0.7445211 30.31786       0.8190879 30.43191       1.170973  30.20860       1.146156  0.2010040      1.489042  
1 1 1 10  12 39 o 40.72834 0.7493890 16.24641       0.5944659 15.09752       0.7483302 18.21151       0.9786928 -3.803329      1.498778  
1 1 1 10  12 40 f 52.74308 0.7458653 27.85789       0.7865711 27.21934       1.097093  28.53331       1.128323  -1.242756      1.491731  
1 1 1 10  12 41 o 73.43024 0.8971468 54.07067       1.317240  54.68635       1.887457  53.48606       1.839199  0.8114929      1.794294  
1 1 1 10  12 42 o 73.92754 0.9032234 54.82126       1.335288  55.24561       1.906574  54.41273       1.870701  0.5587845      1.806447  
1 1 1 10  12 43 o 29.33603 0.7211283 8.618079       0.4228418 9.054795       0.6064076 8.204800       0.5899107 1.446980       1.442257  
1 1 1 10  12 44 o 66.70714 0.8546999 44.64708       1.140290  44.58251       1.610673  44.71197       1.614560  -0.9649658E-01 1.709400  
1 1 1 10  12 45 o 19.13678 0.8970397 3.698010       0.3413026 4.043350       0.4744223 3.327552       0.4913734 1.872877       1.794079  
1 1 1 10  12 46 o 43.49648 0.7354952 18.73480       0.6358206 21.44565       0.9641710 16.64877       0.8457871 5.498474       1.470990  
1 1 1 10  12 47 o 67.69298 1.129749  46.30353       1.406760  45.74882       2.542262  46.54834       1.688890  -0.7758865     2.259499  
1 1 1 10  12 48 o 30.17436 1.025252  9.174554       0.5518611 9.190248       0.6481738 9.133203       1.052162  0.1790829      2.050505  
1 1 1 10  12 49 f 43.98434 0.7543022 19.33575       0.6620722 20.63732       0.9768234 18.22974       0.9004551 2.724155       1.508604  
1 1 1 10  12 50 o 10.50120 1.877301  1.158082       0.3897588 1.090640       0.5064805 1.256017       0.6103386 -0.7228813     3.754601  
1 1 1 10  12 51 f 14.40131 1.480015  2.059890       0.4213957 1.794404       0.5483015 2.442982       0.6586439 -2.210890      2.960029  
1 1 1 10  12 52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  13 0  o 107.6763 1.676759  115.5165       3.598705  110.3553       4.854586  121.8126       5.361811  -5.313698      3.353517  
1 1 1 10  13 1  o 215.8168 3.207985  466.7084       13.84350  472.5509       19.83655  461.1613       19.32866  2.625870       6.415970  
1 1 1 10  13 2  o 142.4229 1.854349  205.1068       5.060250  210.6591       6.354483  195.4830       8.365908  5.357361       3.708699  
1 1 1 10  13 3  o 59.90348 0.7307556 35.88842       0.8754931 35.77303       1.236372  36.00446       1.239905  -0.1931458     1.461511  
1 1 1 10  13 4  o 96.03432 1.060291  92.12165       2.034466  95.00774       2.958283  89.53173       2.802382  2.849747       2.120581  
1 1 1 10  13 5  o 110.5256 1.202692  121.7003       2.650478  128.3580       3.938706  116.1903       3.583154  5.501106       2.405384  
1 1 1 10  13 6  o 408.2470 4.250077  1673.113       34.69885  1685.792       49.44910  1660.812       48.70259  3.034790       8.500154  
1 1 1 10  13 7  o 169.4340 1.791320  287.2777       6.070043  286.5334       8.548130  288.0347       8.621010  -0.4420166     3.582640  
1 1 1 10  13 8  o 101.6770 1.116168  103.3606       2.268827  101.7406       3.154505  105.0968       3.265590  -1.649445      2.232337  
1 1 1 10  13 9  o 316.5669 3.298395  1004.309       20.87424  988.9052       29.01623  1020.833       30.05230  -5.013306      6.596791  
1 1 1 10  13 10 o 71.32642 0.8379915 50.87183       1.195252  51.57894       1.707874  50.19303       1.673339  0.9712601      1.675983  
1 1 1 10  13 11 f 38.25328 0.6026349 14.02524       0.4509220 11.71067       0.5703474 17.88390       0.7364147 -8.067970      1.205270  
1 1 1 10  13 12 o 60.35490 0.8254923 35.90520       0.9660092 34.38701       1.212796  38.54002       1.597713  -3.437447      1.650985  
1 1 1 10  13 13 o 187.6761 1.975154  351.9026       7.400927  341.1889       10.11628  364.2400       10.85579  -6.126282      3.950307  
1 1 1 10  13 14 o 184.7447 1.945547  341.5036       7.185099  335.7948       9.976881  347.6547       10.35626  -3.201874      3.891093  
1 1 1 10  13 15 o 120.0771 1.300570  144.1102       3.120360  141.0024       4.301991  147.5603       4.532759  -2.727348      2.601140  
1 1 1 10  13 16 f 72.07498 0.9234210 51.69847       1.325796  58.70055       1.946254  45.63602       1.810966  9.061653       1.846842  
1 1 1 10  13 17 o 166.6553 1.763322  277.9508       5.875345  273.9756       8.182133  282.1824       8.441943  -2.456131      3.526645  
1 1 1 10  13 18 o 18.86028 0.7837784 3.113565       0.2746693 2.411730       0.3234940 4.926558       0.5199323 -6.664659      1.567557  
1 1 1 10  13 19 o 137.7531 1.599288  189.4684       4.342564  192.9663       6.767195  187.0197       5.662128  2.129974       3.198575  
1 1 1 10  13 20 f 141.0167 1.509468  198.1866       4.241274  189.3452       5.709487  209.0725       6.335351  -6.977783      3.018935  
1 1 1 10  13 21 o 161.1066 1.710780  259.8558       5.509656  255.4587       7.649676  264.5957       7.942217  -2.825150      3.421560  
1 1 1 10  13 22 o 18.02457 0.7303187 3.186285       0.2489862 4.897862       0.3834698 1.938765       0.3273835 8.207597       1.460637  
1 1 1 10  13 23 o 134.5151 1.445419  181.2240       3.888506  180.4456       5.474754  182.0165       5.523931  -0.5819855     2.890838  
1 1 1 10  13 24 o 114.0113 1.245899  129.9882       2.837770  133.7216       4.131897  126.6550       3.904202  3.090179       2.491797  
1 1 1 10  13 25 o 176.2163 1.867254  311.4234       6.578424  316.2481       9.457032  306.9002       9.156823  2.633453       3.734509  
1 1 1 10  13 26 o 22.95745 0.6389444 5.270404       0.2933052 5.152686       0.4097043 5.394162       0.4200829 -0.5256710     1.277889  
1 1 1 10  13 27 o 126.7118 1.371976  160.7079       3.472878  165.4325       5.059830  156.4997       4.775295  3.507668       2.743952  
1 1 1 10  13 28 o 22.11591 0.6484937 4.893645       0.2868201 4.812784       0.4043375 4.975545       0.4069247 -0.3678951     1.296987  
1 1 1 10  13 29 o 111.3772 1.225348  124.2834       2.728975  125.7561       3.906364  122.8796       3.814000  1.285667       2.450696  
1 1 1 10  13 30 o 12.87768 2.137272  1.785517       0.5411159 2.080758       0.7110820 1.379335       0.8340507 2.574508       4.274544  
1 1 1 10  13 31 o 97.95554 1.439323  96.93298       2.791918  101.8219       3.754118  90.88271       4.176272  5.618492       2.878645  
1 1 1 10  13 32 o 59.99705 0.8310915 35.61662       0.9784118 33.96718       1.254148  38.18160       1.563947  -3.495026      1.662183  
1 1 1 10  13 33 o 25.62254 0.6930957 6.521828       0.3534844 6.086801       0.4725392 7.074564       0.5326457 -1.924608      1.386191  
1 1 1 10  13 34 o 79.66080 1.284069  63.68533       2.045727  64.05199       2.907981  63.32610       2.878436  0.4526672      2.568139  
1 1 1 10  13 35 o 45.65005 0.8922253 20.87355       0.8144128 21.13227       1.166936  20.62786       1.137148  0.5502129      1.784451  
1 1 1 10  13 36 o 89.20892 1.231331  80.35999       2.103518  78.32428       3.501996  81.50903       2.631033  -1.886559      2.462662  
1 1 1 10  13 37 o 55.36398 0.7522973 30.70388       0.8329516 30.62349       1.183724  30.78273       1.172302  -0.1447144     1.504595  
1 1 1 10  13 38 o 95.02675 1.080369  90.56319       2.052209  88.56033       2.846741  92.73029       2.961163  -2.180305      2.160739  
1 1 1 10  13 39 o 36.58544 0.6679948 13.35804       0.4874091 14.01466       0.7226100 12.80992       0.6602098 1.641396       1.335990  
1 1 1 10  13 40 o 112.0319 1.245667  126.2416       2.791071  126.0950       3.952583  126.3874       3.941780  -0.1322556     2.491333  
1 1 1 10  13 41 o 52.06172 0.7463621 27.16396       0.7770374 27.09180       1.107034  27.23404       1.090937  -0.1382599     1.492724  
1 1 1 10  13 42 f 11.14909 1.354908  1.328518       0.2828173 1.859898       0.3988796 0.7913191      0.4010575 4.917115       2.709816  
1 1 1 10  13 43 o 55.41554 0.7759037 30.78815       0.8599067 31.05453       1.222901  30.52762       1.209395  0.4737816      1.551807  
1 1 1 10  13 44 o 44.03357 0.7251772 19.43390       0.6385214 19.74776       0.9139784 19.13466       0.8924188 0.6934280      1.450354  
1 1 1 10  13 45 o 55.46721 0.7852761 30.65448       0.8673966 33.06377       1.302576  28.73490       1.162678  3.882706       1.570552  
1 1 1 10  13 46 o 37.87712 1.186383  14.23430       0.8871664 15.80886       1.394951  13.16487       1.149623  3.434433       2.372766  
1 1 1 10  13 47 o 39.72271 0.7386504 15.77016       0.5856485 16.77049       0.8621145 14.91298       0.7980541 2.328541       1.477301  
1 1 1 10  13 48 o 33.14430 0.7769355 11.01704       0.5139071 11.17780       0.7543101 10.87779       0.7020494 0.4435310      1.553871  
1 1 1 10  13 49 o 44.87971 0.9821939 20.25772       0.8807048 20.06429       1.215662  20.47137       1.277659  -0.4396400     1.964388  
1 1 1 10  13 50 o 7.815010 1.769990  0.5279521      0.3790911 1.055219       0.4890838 -0.2655484     0.5999866 4.310303       3.539981  
1 1 1 10  13 51 o 15.19418 1.409045  2.334046       0.4267018 2.266966       0.5765198 2.415307       0.6345390 -0.4680443     2.818091  
1 1 1 10  14 0  o 117.5110 1.551051  137.9839       3.439886  138.6986       5.954756  137.6259       4.214151  0.4356155      3.102101  
1 1 1 10  14 1  o 227.3672 2.379442  517.2069       10.81307  527.9899       15.63379  507.3178       14.97166  4.533707       4.758883  
1 1 1 10  14 2  o 251.5454 2.627406  633.6250       13.21665  639.1324       18.86685  628.3179       18.52030  2.142502       5.254812  
1 1 1 10  14 3  o 209.3125 2.194797  437.4424       9.167754  455.1074       13.51279  422.3766       12.47913  7.800690       4.389594  
1 1 1 10  14 4  o 161.0427 1.704174  259.5069       5.488647  258.1733       7.718347  260.8711       7.806643  -0.8363800     3.408348  
1 1 1 10  14 5  o 370.9870 3.862467  1380.968       28.65417  1368.414       40.10960  1394.054       40.94968  -3.428253      7.724933  
1 1 1 10  14 6  o 223.2630 2.337746  498.9674       10.43558  492.5536       14.54898  505.7636       14.97659  -2.949661      4.675493  
1 1 1 10  14 7  o 132.7472 1.429966  176.2175       3.793942  173.9337       5.256123  178.7016       5.481884  -1.792999      2.859932  
1 1 1 10  14 8  o 281.5828 2.937691  794.4106       16.53946  784.5483       23.06764  804.8450       23.72695  -3.586243      5.875382  
1 1 1 10  14 9  o 237.8532 2.487822  566.5400       11.83223  560.3373       16.53166  573.0550       16.94250  -2.663788      4.975644  
1 1 1 10  14 10 o 397.3873 4.141044  1586.233       32.90250  1566.158       45.87895  1607.490       47.21200  -5.145813      8.282087  
1 1 1 10  14 11 o 239.5954 2.507310  575.1219       12.01477  575.9290       17.01529  574.3193       16.96771  0.3346863      5.014621  
1 1 1 10  14 12 o 257.9977 2.696742  667.0757       13.91436  663.2910       19.55999  670.9531       19.79791  -1.477936      5.393485  
1 1 1 10  14 13 o 209.1190 2.195000  437.8723       9.178310  442.9895       13.14565  433.0050       12.82063  2.379196       4.389999  
1 1 1 10  14 14 o 317.0606 3.308041  1008.807       20.97331  1019.190       29.99755  998.8778       29.33503  3.176910       6.616081  
1 1 1 10  14 15 o 147.5750 1.572690  217.7633       4.637772  223.0263       6.728435  212.9995       6.401381  3.390411       3.145379  
1 1 1 10  14 16 o 88.13438 0.9967347 77.51208       1.753865  80.93578       2.574664  74.54784       2.395675  3.621330       1.993469  
1 1 1 10  14 17 o 84.73100 0.9642745 71.22923       1.624162  77.07302       2.467104  66.75932       2.157691  6.081383       1.928549  
1 1 1 10  14 18 o 102.2971 1.129901  104.7111       2.311704  104.5555       3.264344  104.8676       3.274165  -0.1523285     2.259802  
1 1 1 10  14 19 o 98.88701 1.583609  97.92372       3.131956  97.69132       4.421621  98.15774       4.436927  -0.2353516     3.167219  
1 1 1 10  14 20 o 204.6491 2.154132  420.0331       8.816555  418.3611       12.41077  421.7365       12.52703  -0.8190308     4.308265  
1 1 1 10  14 21 f 88.09464 0.9981220 76.99389       1.747414  83.42075       2.658873  72.10756       2.318401  6.412590       1.996244  
1 1 1 10  14 22 o 60.88714 0.7652957 36.94395       0.9296311 39.14064       1.375095  35.09487       1.261617  3.319847       1.530591  
1 1 1 10  14 23 o 72.14236 0.8571097 51.89889       1.233621  54.57950       1.824229  49.64005       1.674571  3.419220       1.714219  
1 1 1 10  14 24 o 94.63112 1.059934  89.62196       2.005593  88.47876       2.800268  90.82601       2.873835  -1.237526      2.119869  
1 1 1 10  14 25 o 120.6897 1.312725  145.9349       3.168522  145.0711       4.456811  146.8177       4.505520  -0.7210083     2.625451  
1 1 1 10  14 26 o 102.9691 1.142471  105.1758       2.334904  114.2769       3.577542  98.42241       3.081754  7.673340       2.284942  
1 1 1 10  14 27 o 82.36687 1.191857  68.37625       1.844628  66.77851       3.197117  69.17354       2.258448  -1.505547      2.383714  
1 1 1 10  14 28 o 84.55721 1.424608  71.17480       2.396402  76.76040       3.623026  66.83047       3.195198  5.840546       2.849215  
1 1 1 10  14 29 o 88.51684 1.973229  78.58643       3.493279  78.58643       3.493279  ?              ?         ?              ?         
1 1 1 10  14 30 o 77.52728 0.9141890 59.52231       1.406389  65.40076       2.159304  55.19135       1.853423  6.568085       1.828378  
1 1 1 10  14 31 o 123.3134 1.345628  152.5881       3.318678  152.4400       4.691392  152.7365       4.695248  -0.1198807     2.691256  
1 1 1 10  14 32 o 78.75378 0.9306618 61.74017       1.459410  58.22925       1.955577  66.15343       2.192523  -5.015533      1.861324  
1 1 1 10  14 33 f 93.52728 1.060838  87.68693       1.984299  87.04463       2.794924  88.33973       2.817659  -0.6904907     2.121675  
1 1 1 10  14 34 o 74.85916 0.8955824 56.13852       1.340632  56.61493       1.916394  55.68191       1.876128  0.6201172      1.791165  
1 1 1 10  14 35 o 60.31453 0.7842727 36.21508       0.9423326 38.92635       1.411302  34.03387       1.265850  4.044891       1.568545  
1 1 1 10  14 36 o 11.00733 1.271074  1.236338       0.2685634 1.572707       0.3930026 0.9416395      0.3678553 3.021305       2.542149  
1 1 1 10  14 37 f 55.47462 0.9941486 30.80271       1.101527  29.61905       1.510751  32.14620       1.609524  -2.266876      1.988297  
1 1 1 10  14 38 o 33.82768 0.7431978 11.29260       0.4867044 12.13589       0.8082573 10.81288       0.6096215 1.937748       1.486396  
1 1 1 10  14 39 o 84.27723 0.9866162 71.27039       1.662654  71.90858       2.379261  70.66129       2.324396  0.7328644      1.973232  
1 1 1 10  14 40 o 46.89557 0.7145360 22.03670       0.6700336 21.96478       0.9564698 22.10600       0.9389153 -0.1522827     1.429072  
1 1 1 10  14 41 o 7.404807 1.493915  0.5729110      0.2394741 0.3790278      0.3598480 0.7270330      0.3208346 -1.847196      2.987829  
1 1 1 10  14 42 o 39.90295 0.6919081 15.95430       0.5518907 15.98863       0.7939136 15.92220       0.7677278 0.8047104E-01  1.383816  
1 1 1 10  14 43 o 18.69848 0.8584799 3.523510       0.3197018 3.250134       0.4606458 3.777559       0.4440633 -1.412796      1.716960  
1 1 1 10  14 44 o 44.17320 1.164922  19.31275       1.017641  21.86284       1.590896  17.54672       1.323928  4.830452       2.329845  
1 1 1 10  14 45 o 37.97532 0.8093597 14.53950       0.6063519 14.91416       0.8003830 14.03483       0.9289250 1.177147       1.618719  
1 1 1 10  14 46 f 29.98857 0.7624239 8.922840       0.4537640 10.64791       0.6791310 7.531646       0.6098790 5.185246       1.524848  
1 1 1 10  14 47 o 39.53751 0.7943709 15.64505       0.6232608 16.07992       0.9478022 15.31374       0.8272859 0.9475746      1.588742  
1 1 1 10  14 48 o 49.66203 0.9187739 24.89394       0.9051691 23.94478       1.354771  25.65932       1.216559  -1.754528      1.837548  
1 1 1 10  14 49 o 36.76453 0.9441050 13.58119       0.6923212 13.35907       0.9417080 13.84245       1.021309  -0.6390343     1.888210  
1 1 1 10  14 50 o 58.72813 1.092415  34.76907       1.282881  35.70383       1.825264  33.85651       1.803467  1.566971       2.184831  
1 1 1 10  15 0  o 144.7136 2.164707  209.2710       6.255555  216.3599       9.157371  203.0687       8.565627  4.581116       4.329414  
1 1 1 10  15 1  o 274.6906 4.055671  755.7701       22.23380  730.6344       30.28661  785.1495       32.74362  -9.835114      8.111341  
1 1 1 10  15 2  o 100.3376 1.543601  100.7108       3.096795  101.8085       4.440293  99.67120       4.321194  1.063408       3.087201  
1 1 1 10  15 3  o 276.2250 3.536090  764.1034       18.36776  769.3986       32.02989  761.5089       22.42060  1.124786       7.072180  
1 1 1 10  15 4  o 167.0329 1.767689  278.6791       5.895322  288.2280       8.642041  270.3679       8.062576  5.336853       3.535378  
1 1 1 10  15 5  o 147.6587 1.571874  218.0922       4.640646  221.3647       6.661107  215.0059       6.468844  2.150360       3.143748  
1 1 1 10  15 6  o 252.2045 2.638019  636.3862       13.28988  620.4222       18.26017  654.3668       19.37916  -6.701035      5.276039  
1 1 1 10  15 7  o 71.54859 0.8409745 50.97529       1.199630  48.49939       1.620350  53.97850       1.784581  -3.827560      1.681949  
1 1 1 10  15 8  o 348.6791 3.633785  1220.482       25.33991  1225.025       35.98233  1216.012       35.69154  1.281403       7.267569  
1 1 1 10  15 9  o 258.1639 2.699471  667.6793       13.93273  677.9148       20.03901  658.1010       19.38496  3.818359       5.398943  
1 1 1 10  15 10 o 273.9232 2.861547  752.2562       15.67649  755.5620       22.26542  749.0066       22.07560  1.190521       5.723095  
1 1 1 10  15 11 o 59.86814 0.7520701 35.39200       0.8933018 39.46172       1.373568  32.40900       1.175964  5.888477       1.504140  
1 1 1 10  15 12 o 85.95851 0.9751166 73.86974       1.675556  72.61633       2.326026  75.22166       2.415704  -1.514381      1.950233  
1 1 1 10  15 13 o 148.3752 1.580657  220.1281       4.686471  225.6928       6.801199  215.0971       6.466781  3.563400       3.161313  
1 1 1 10  15 14 o 88.70985 1.004060  78.51195       1.777572  81.89006       2.619466  75.62849       2.420089  3.526230       2.008120  
1 1 1 10  15 15 o 198.9263 2.094730  396.4915       8.333768  398.1677       11.83138  394.8411       11.74060  0.8331146      4.189459  
1 1 1 10  15 16 o 165.5881 1.755809  274.1814       5.807328  282.4921       8.474463  266.8234       7.973971  4.716263       3.511618  
1 1 1 10  15 17 o 120.4730 1.305707  145.1832       3.144469  148.0063       4.534256  142.5675       4.364502  2.252960       2.611413  
1 1 1 10  15 18 o 158.4269 1.820558  251.8456       5.720223  248.8533       8.640989  254.1798       7.631896  -1.721481      3.641117  
1 1 1 10  15 19 o 69.82182 0.8354578 48.75345       1.166371  49.67974       1.672606  47.87664       1.627321  1.290298       1.670916  
1 1 1 10  15 20 o 90.71788 1.024821  82.35551       1.859242  83.02760       2.649824  81.70377       2.609372  0.7285080      2.049642  
1 1 1 10  15 21 o 69.50438 0.8343201 48.29649       1.159143  49.57350       1.673503  47.11887       1.607066  1.764069       1.668640  
1 1 1 10  15 22 o 154.0437 1.642471  237.8537       5.059358  235.3729       7.075921  240.4488       7.236818  -1.638641      3.284942  
1 1 1 10  15 23 o 81.43430 0.9392627 66.33019       1.528975  67.73115       2.205583  65.03406       2.121465  1.653107       1.878525  
1 1 1 10  15 24 o 91.69841 1.036359  84.13707       1.899636  82.51156       2.635033  85.89607       2.741087  -1.840752      2.072718  
1 1 1 10  15 25 o 132.3335 2.049527  175.5670       5.411808  183.0851       7.987164  169.1861       7.358353  5.192978       4.099054  
1 1 1 10  15 26 o 53.18024 1.106142  28.30381       1.175953  29.18227       1.694556  27.48777       1.633235  1.589890       2.212283  
1 1 1 10  15 27 o 31.34731 0.7404711 9.884020       0.4617760 10.83058       0.6446407 8.886400       0.6617968 3.101702       1.480942  
1 1 1 10  15 28 o 86.47116 0.9931723 74.79962       1.716122  72.90146       2.367921  76.89965       2.490654  -2.305168      1.986345  
1 1 1 10  15 29 o 79.89091 0.9372190 63.68706       1.493557  60.88379       2.024921  67.03180       2.211854  -3.837242      1.874438  
1 1 1 10  15 30 o 78.13575 0.9217528 61.15248       1.440417  61.32888       2.043487  60.97826       2.030688  0.2235565      1.843506  
1 1 1 10  15 31 o 37.26193 0.6542218 13.49958       0.4805086 11.39541       0.6207531 16.64519       0.7589825 -7.038055      1.308444  
1 1 1 10  15 32 o 45.54511 0.6919165 20.61567       0.6278434 19.03191       0.8442328 22.57554       0.9391402 -3.885017      1.383833  
1 1 1 10  15 33 o 64.13154 0.8133265 41.18553       1.043071  40.59063       1.461323  41.80345       1.489325  -0.9436073     1.626653  
1 1 1 10  15 34 o 47.90086 0.6998391 22.97931       0.6703037 22.77637       0.9557103 23.17580       0.9403808 -0.4179764     1.399678  
1 1 1 10  15 35 o 51.59409 0.7222351 26.64552       0.7449315 27.14448       1.072922  26.18112       1.035081  0.9307327      1.444470  
1 1 1 10  15 36 o 51.77341 0.7283344 26.80753       0.7535630 25.52595       1.043096  28.20654       1.089838  -2.584988      1.456669  
1 1 1 10  15 37 o 9.017300 1.317067  0.8128524      0.2370490 1.315715       0.3596772 0.4266995      0.3151869 4.858120       2.634135  
1 1 1 10  15 38 o 101.3370 1.468952  103.2156       2.921521  101.9834       3.773743  105.0589       4.615525  -1.355789      2.937903  
1 1 1 10  15 39 o 35.14214 0.8320063 12.38263       0.5847062 12.13965       0.8247546 12.62815       0.8290610 -0.6945343     1.664013  
1 1 1 10  15 40 o 35.62497 0.7684203 12.15423       0.5226756 14.61749       0.9145233 10.95930       0.6369567 5.103260       1.536841  
1 1 1 10  15 41 o 23.03353 0.7508930 5.201991       0.3415087 6.523875       0.5254953 4.235516       0.4493317 4.958830       1.501786  
1 1 1 10  15 42 o 30.87992 1.068951  9.959590       0.5491492 8.916673       1.129498  10.28243       0.6284224 -2.297882      2.137902  
1 1 1 10  15 43 o 95.49170 1.377939  92.05543       2.468104  92.06621       3.009111  92.03326       4.314397  0.3294220      2.755878  
1 1 1 10  15 44 o 25.06094 0.7658415 6.295278       0.3832906 5.834303       0.5345706 6.783004       0.5498625 -1.890625      1.531683  
1 1 1 10  15 45 o 35.44425 0.8393238 12.68574       0.5903766 13.32706       0.7997651 11.91782       0.8751564 2.000504       1.678648  
1 1 1 10  15 46 o 39.98853 0.8308468 15.78836       0.6448348 17.15780       1.066063  14.99823       0.8097679 2.653545       1.661694  
1 1 1 10  15 47 o 8.491509 1.858155  0.7313119      0.3662031 1.007825       0.4898749 0.3810634      0.5513344 2.534145       3.716310  
1 1 1 10  15 48 f 29.00772 0.9467418 8.475888       0.5475293 8.608847       0.7486954 8.323029       0.8027771 0.5048580      1.893484  
1 1 1 10  15 49 o 25.84907 1.002312  6.752128       0.5160158 7.060089       0.7088858 6.405026       0.7525864 1.277891       2.004623  
1 1 1 10  15 50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  16 0  f 123.7048 1.333937  153.1035       3.300285  153.0967       4.664931  153.1102       4.669686  -0.5409241E-02 2.667873  
1 1 1 10  16 1  f 102.2575 1.132403  103.5362       2.296334  96.94905       3.021129  112.5487       3.533822  -7.621918      2.264806  
1 1 1 10  16 2  o 57.76461 0.8540084 33.79050       0.9623156 35.46184       1.249121  31.35024       1.509353  3.561142       1.708017  
1 1 1 10  16 3  o 170.8511 2.542840  290.9699       8.651660  307.8160       12.97457  277.4821       11.60951  8.841461       5.085681  
1 1 1 10  16 4  o 107.6123 1.640834  115.8902       3.531293  115.2548       4.963821  116.5413       5.024741  -0.5967026     3.281667  
1 1 1 10  16 5  o 56.12773 0.9585038 31.43954       1.073885  30.42009       1.465057  32.62330       1.578710  -1.961494      1.917008  
1 1 1 10  16 6  o 60.74252 0.9332521 37.04175       1.129614  34.32166       1.625003  39.58529       1.571376  -4.333294      1.866504  
1 1 1 10  16 7  o 132.4252 1.426430  175.2764       3.774202  179.8313       5.484805  171.1799       5.201511  3.261932       2.852859  
1 1 1 10  16 8  o 161.6573 1.713741  261.4352       5.538057  257.0316       7.689158  266.1819       7.983101  -2.824219      3.427481  
1 1 1 10  16 9  o 167.5361 1.778043  280.9948       5.957715  281.6747       8.427515  280.3156       8.423449  0.4055481      3.556085  
1 1 1 10  16 10 o 262.5133 2.744599  690.4948       14.39914  705.8729       20.85021  676.4734       19.90928  5.565094       5.489197  
1 1 1 10  16 11 o 177.2301 1.872135  314.5209       6.635266  312.0315       9.302800  317.0988       9.466713  -1.425110      3.744270  
1 1 1 10  16 12 o 126.0595 1.360987  158.8456       3.427876  163.1902       4.983442  154.9439       4.722568  3.265259       2.721974  
1 1 1 10  16 13 o 139.5766 1.495231  194.9795       4.173292  193.0576       5.838642  196.9871       5.967315  -1.404510      2.990462  
1 1 1 10  16 14 o 152.6828 1.626344  232.4223       4.948475  222.3063       6.668153  244.8223       7.382668  -7.352905      3.252688  
1 1 1 10  16 15 o 108.2687 1.188035  117.3126       2.572494  117.7487       3.651272  116.8827       3.624983  0.3993378      2.376069  
1 1 1 10  16 16 o 45.50193 0.6622183 20.56015       0.6001468 19.10174       0.8051759 22.38321       0.9002278 -3.604462      1.324437  
1 1 1 10  16 17 o 93.21376 1.046749  86.68028       1.946766  83.24226       2.644958  90.74458       2.875791  -4.018425      2.093498  
1 1 1 10  16 18 o 96.26622 1.249891  92.77335       2.406230  92.10839       3.376049  93.45992       3.430451  -0.7001419     2.499782  
1 1 1 10  16 19 o 62.47324 0.7776221 38.85292       0.9682016 36.83131       1.304451  41.33282       1.444763  -3.599388      1.555244  
1 1 1 10  16 20 o 73.83113 0.8728650 54.54942       1.288888  54.51837       1.820172  54.58065       1.825364  -0.4203033E-01 1.745730  
1 1 1 10  16 21 o 95.83058 1.073463  91.28169       2.046204  86.02521       2.727202  98.05215       3.095130  -6.261223      2.146927  
1 1 1 10  16 22 o 82.50084 1.190881  68.40608       1.841570  67.50887       3.215941  68.84384       2.246342  -0.8552246     2.381762  
1 1 1 10  16 23 o 124.3625 1.938383  155.2317       4.817291  151.5828       6.652155  159.2553       6.985412  -3.055824      3.876766  
1 1 1 10  16 24 f 96.12262 1.333722  93.87839       2.450703  97.16599       3.076072  88.16555       4.054928  4.741730       2.667444  
1 1 1 10  16 25 o 59.91776 0.7699356 35.86299       0.9213409 34.71767       1.262803  37.16659       1.347237  -2.040298      1.539871  
1 1 1 10  16 26 o 54.01718 0.7268688 29.17777       0.7848933 29.98387       1.131599  28.43038       1.089605  1.436317       1.453738  
1 1 1 10  16 27 o 108.3895 1.200182  117.6955       2.600811  115.7400       3.619909  119.7819       3.739197  -1.856468      2.400365  
1 1 1 10  16 28 o 62.73311 0.7988285 39.30178       1.000687  41.10675       1.466289  37.72822       1.369077  2.687874       1.597657  
1 1 1 10  16 29 o 46.96047 0.6919653 22.07376       0.6498952 22.19591       0.9200327 21.95210       0.9181514 0.2595062      1.383931  
1 1 1 10  16 30 o 28.67750 0.6602774 8.051103       0.3738906 6.558893       0.4918750 10.09328       0.5754225 -6.158354      1.320555  
1 1 1 10  16 31 o 32.64405 0.6553622 10.63853       0.4272507 11.43819       0.6216139 9.922496       0.5882159 2.319765       1.310724  
1 1 1 10  16 32 o 99.68411 1.125706  99.39459       2.239490  103.9117       3.300579  95.54073       3.048637  4.173851       2.251413  
1 1 1 10  16 33 o 19.42488 0.7512628 3.781813       0.2913474 3.503906       0.4101305 4.064921       0.4139510 -1.443779      1.502526  
1 1 1 10  16 34 o 33.11790 0.6682147 10.96832       0.4422445 10.63890       0.6106827 11.33159       0.6412959 -1.043655      1.336429  
1 1 1 10  16 35 o 49.86948 0.7220070 24.75753       0.7178970 22.76635       0.9715865 27.15182       1.065407  -4.389343      1.444014  
1 1 1 10  16 36 o 27.63555 0.6789718 7.648952       0.3750541 7.661015       0.5399501 7.637708       0.5213518 0.4063416E-01  1.357944  
1 1 1 10  16 37 o 59.85440 0.7935204 35.48883       0.9436351 32.32414       1.249867  39.68401       1.439043  -6.128334      1.587041  
1 1 1 10  16 38 o 45.28793 0.7069012 20.55125       0.6399758 20.49374       0.9186933 20.60548       0.8920212 -0.1259422     1.413802  
1 1 1 10  16 39 o 56.50511 0.7784409 31.70555       0.8744075 34.73926       1.328796  29.38859       1.161265  4.715698       1.556882  
1 1 1 10  16 40 o 29.91360 1.115418  8.459578       0.5846912 10.12429       1.195658  7.936376       0.6703045 3.569424       2.230835  
1 1 1 10  16 41 o 35.58033 1.744771  12.75287       1.241590  12.75287       1.241590  ?              ?         ?              ?         
1 1 1 10  16 42 o 33.92403 0.7773818 11.25768       0.5112832 12.67971       0.8530419 10.46044       0.6387238 3.241550       1.554764  
1 1 1 10  16 43 o 37.26961 0.7374346 13.89576       0.5470402 14.26210       0.8191620 13.60088       0.7349365 0.8756752      1.474869  
1 1 1 10  16 44 o 15.11072 1.067169  2.352357       0.3142990 1.817741       0.4566867 2.833428       0.4332135 -3.365679      2.134337  
1 1 1 10  16 45 f 26.13001 0.8747155 6.693329       0.4435196 7.532372       0.7380863 6.219138       0.5548707 2.478193       1.749431  
1 1 1 10  16 46 f 18.22287 1.062522  3.282704       0.3803719 4.290442       0.5784116 2.514826       0.5049043 4.854911       2.125045  
1 1 1 10  16 47 o 24.35572 0.9840433 5.908979       0.4756683 5.505660       0.6274765 6.453896       0.7293529 -1.923021      1.968087  
1 1 1 10  16 48 o 28.02873 0.9590034 7.937030       0.5353844 8.364120       0.7381211 7.462876       0.7777261 1.617191       1.918007  
1 1 1 10  16 49 o 28.33254 2.099113  0.000000       0.000000  ?              ?         8.153877       1.189464  ?              ?         
1 1 1 10  17 0  o 105.2616 1.155890  110.7280       2.431324  108.1486       3.355653  113.5786       3.527609  -2.577049      2.311781  
1 1 1 10  17 1  o 189.1570 1.993886  358.1590       7.541429  362.6950       10.80460  353.8498       10.53104  2.331894       3.987771  
1 1 1 10  17 2  o 243.0840 2.544857  590.9859       12.35156  611.2138       18.10529  573.3759       16.89312  7.747406       5.089715  
1 1 1 10  17 3  o 106.4762 1.167830  113.3915       2.486382  114.8673       3.561294  111.9881       3.472922  1.350830       2.335660  
1 1 1 10  17 4  o 179.6558 1.896335  322.1373       6.795723  336.5986       10.05868  309.9935       9.217523  7.385193       3.792670  
1 1 1 10  17 5  o 113.8145 1.239496  129.4817       2.819108  126.6917       3.893011  132.5578       4.087758  -2.574051      2.478992  
1 1 1 10  17 6  o 235.0884 3.009967  555.6146       13.40204  557.9067       16.50930  551.1851       22.95054  1.682999       6.019934  
1 1 1 10  17 7  o 219.1451 3.246530  482.1019       14.22485  488.8096       20.42172  475.7801       19.82548  2.945404       6.493060  
1 1 1 10  17 8  o 213.3541 3.164235  457.0188       13.49892  462.8271       19.34181  451.5031       18.84847  2.630234       6.328469  
1 1 1 10  17 9  o 92.50020 1.437530  85.21060       2.649316  90.41581       3.961170  80.99765       3.563673  5.081856       2.875060  
1 1 1 10  17 10 o 286.7902 3.673262  828.3738       19.90347  825.2785       34.28113  829.9477       24.44567  -1.395935      7.346525  
1 1 1 10  17 11 o 176.4590 1.865747  311.6418       6.579784  305.2704       9.099965  318.6224       9.525021  -3.769516      3.731495  
1 1 1 10  17 12 o 79.93091 0.9235570 63.91873       1.476402  63.79431       2.082823  64.04439       2.093110  -0.1562500     1.847114  
1 1 1 10  17 13 o 83.65562 0.9600770 69.47376       1.596969  65.25584       2.124271  74.95582       2.421768  -5.791435      1.920154  
1 1 1 10  17 14 o 66.55127 0.8121738 44.01720       1.076461  47.45286       1.615614  41.27432       1.443565  4.638725       1.624348  
1 1 1 10  17 15 f 201.7463 2.126191  408.1813       8.576670  402.9673       11.96248  413.6965       12.30317  -2.640991      4.252382  
1 1 1 10  17 16 o 138.5539 1.488143  191.5049       4.109621  183.2177       5.543183  201.6193       6.123872  -6.616394      2.976286  
1 1 1 10  17 17 o 125.6060 1.772693  158.3315       4.360978  158.8283       5.629301  157.5857       6.896595  0.5644302      3.545387  
1 1 1 10  17 18 o 55.76102 0.7334824 30.68767       0.8114351 34.48683       1.247916  27.90475       1.068049  5.897633       1.466965  
1 1 1 10  17 19 o 127.5532 1.704539  163.4026       4.090769  162.4656       7.103555  163.8676       5.003773  -0.6729279     3.409079  
1 1 1 10  17 20 o 51.16306 1.091226  25.89732       1.109732  29.34409       1.684855  23.25631       1.474828  5.940220       2.182451  
1 1 1 10  17 21 o 16.01595 1.700081  2.658493       0.5191946 2.905584       0.6889600 2.333745       0.7898385 2.015982       3.400162  
1 1 1 10  17 22 o 121.8744 1.328463  148.4524       3.230619  143.0387       4.392918  154.8290       4.767622  -4.814163      2.656926  
1 1 1 10  17 23 o 74.61710 0.8879519 55.56360       1.321987  53.35279       1.796341  58.17565       1.952557  -3.224922      1.775904  
1 1 1 10  17 24 o 91.42351 1.318097  83.66763       2.366915  84.49346       3.724157  83.10798       3.065740  0.7121429      2.636194  
1 1 1 10  17 25 o 19.34958 0.7017878 3.697174       0.2651857 2.695923       0.3544395 4.970346       0.3996815 -5.875483      1.403576  
1 1 1 10  17 26 o 18.87304 0.7017894 3.570719       0.2643754 3.807090       0.3724105 3.330573       0.3753735 1.262552       1.403579  
1 1 1 10  17 27 o 20.59336 0.7038457 4.153368       0.2811159 5.840925       0.4308914 2.902809       0.3709288 7.130846       1.407691  
1 1 1 10  17 28 o 38.20976 0.6530935 14.59517       0.4988000 15.19268       0.7197509 14.04301       0.6918930 1.503139       1.306187  
1 1 1 10  17 29 o 6.729197 1.330804  0.4469987      0.2013573 0.1902795      0.2826442 0.7115598      0.2869286 -3.062451      2.661608  
1 1 1 10  17 30 f 66.86284 0.8327733 44.63663       1.111204  46.88450       1.638739  42.72332       1.511876  3.102898       1.665547  
1 1 1 10  17 31 o 39.79394 0.6690606 15.66833       0.5293649 17.93403       0.7997700 13.90177       0.7062010 5.060738       1.338121  
1 1 1 10  17 32 o 68.92728 0.8572924 47.24343       1.175921  51.23958       1.774571  44.11498       1.570137  5.150307       1.714585  
1 1 1 10  17 33 o 47.47974 0.7130141 22.57416       0.6770186 22.95662       0.9639199 22.20179       0.9511065 0.7939377      1.426028  
1 1 1 10  17 34 o 124.8488 1.372314  156.5933       3.422675  152.3281       4.706064  161.3828       4.986925  -3.582176      2.744629  
1 1 1 10  17 35 o 48.33097 0.7176999 23.40572       0.6935991 22.99241       0.9845061 23.81302       0.9773277 -0.8495865     1.435400  
1 1 1 10  17 36 o 18.79629 0.7784827 3.543902       0.2921290 3.489890       0.4242072 3.592620       0.4028830 -0.2754822     1.556965  
1 1 1 10  17 37 o 13.92665 0.9578370 1.969547       0.2633937 1.753219       0.3908148 2.149586       0.3565312 -1.427518      1.915674  
1 1 1 10  17 38 o 93.09590 1.367448  86.22978       2.318815  90.02893       4.320731  84.69291       2.748092  2.557976       2.734896  
1 1 1 10  17 39 o 44.79672 1.183548  19.87095       1.049714  22.43757       1.631984  18.05973       1.370944  4.839100       2.367096  
1 1 1 10  17 40 o 19.77002 0.8035838 3.964831       0.3128817 3.189623       0.4443885 4.726875       0.4405990 -3.888353      1.607168  
1 1 1 10  17 41 f 34.00512 0.7134019 11.43775       0.4818029 13.02139       0.7354937 10.24735       0.6376727 4.066542       1.426804  
1 1 1 10  17 42 o 31.99364 0.9157137 10.24080       0.5769191 10.50471       0.9033914 10.05905       0.7497067 0.6706543      1.831427  
1 1 1 10  17 43 o 27.49443 0.8789657 7.444596       0.4773741 9.319255       0.7296559 6.041667       0.6312115 5.943333       1.757931  
1 1 1 10  17 44 o 24.33815 0.9145657 5.952412       0.4450905 6.014529       0.6369473 5.893134       0.6222172 0.2464886      1.829131  
1 1 1 10  17 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  17 46 o 11.07818 1.560125  1.289418       0.3310431 1.290292       0.5027435 1.288750       0.4398636 -0.4888439E-01 3.120250  
1 1 1 10  17 47 o 50.24667 0.9807234 25.41947       0.9855438 25.20506       1.390489  25.63593       1.397073  -0.4271278     1.961447  
1 1 1 10  17 48 o 11.91849 3.369636  0.000000       0.000000  ?              ?         1.519643       0.8389451 ?              ?         
1 1 1 10  18 0  o 80.12628 0.9246044 63.95580       1.477042  61.04787       1.995430  67.48014       2.196761  -4.011253      1.849209  
1 1 1 10  18 1  f 175.1568 1.852472  306.1135       6.469872  320.9104       9.607613  293.8355       8.751726  7.706177       3.704944  
1 1 1 10  18 2  o 104.3427 1.149729  108.9039       2.398752  107.6273       3.349095  110.2486       3.437320  -1.254631      2.299459  
1 1 1 10  18 3  o 124.4126 1.344536  154.2509       3.334072  162.4958       4.968523  147.4971       4.496860  6.018112       2.689071  
1 1 1 10  18 4  o 80.92102 0.9301977 65.46825       1.504709  64.33834       2.088998  66.68663       2.169229  -1.449806      1.860395  
1 1 1 10  18 5  o 217.2061 2.280882  472.5385       9.902102  482.4393       14.31354  463.4508       13.71312  4.349136       4.561765  
1 1 1 10  18 6  o 41.68040 0.6365762 17.24331       0.5285982 19.05169       0.7899603 15.77710       0.7113116 3.927399       1.273152  
1 1 1 10  18 7  o 130.6813 1.407166  170.7310       3.674227  175.4630       5.339900  166.4763       5.063403  3.431717       2.814332  
1 1 1 10  18 8  f 143.1723 1.531851  205.0910       4.383922  209.3138       6.328453  201.1949       6.078691  2.828278       3.063703  
1 1 1 10  18 9  o 157.3457 2.045982  247.1804       6.046790  245.3128       7.364982  251.0430       10.59166  -1.689423      4.091963  
1 1 1 10  18 10 o 14.91174 0.8169509 2.244606       0.2392330 1.737972       0.3351404 2.770974       0.3416054 -3.463607      1.633902  
1 1 1 10  18 11 o 101.3378 1.557148  102.8504       3.155836  103.4105       4.487054  102.3022       4.439380  0.5451355      3.114296  
1 1 1 10  18 12 f 173.1618 2.584529  300.4746       8.931530  312.4482       13.15864  290.2455       12.16230  6.347610       5.169057  
1 1 1 10  18 13 o 84.09224 1.153217  71.40181       1.876964  68.27470       3.032476  73.34381       2.389737  -3.033813      2.306433  
1 1 1 10  18 14 o 188.1198 1.989137  354.9652       7.481987  350.4949       10.43967  359.6863       10.72850  -2.425766      3.978274  
1 1 1 10  18 15 o 201.1585 3.029742  407.5340       12.17604  397.3904       16.75991  418.8719       17.71914  -5.245071      6.059484  
1 1 1 10  18 16 o 113.9569 1.547428  129.9696       3.299296  130.6962       5.808791  129.6236       4.008671  0.3778458      3.094857  
1 1 1 10  18 17 o 27.41391 1.156037  7.559052       0.6305876 7.959781       0.8644049 7.103197       0.9219444 1.564699       2.312073  
1 1 1 10  18 18 o 153.5374 2.346323  237.2251       7.204594  235.8845       10.12743  238.5987       10.25137  -0.8719940     4.692646  
1 1 1 10  18 19 o 73.60771 0.8778785 54.23017       1.292331  54.67327       1.836473  53.79549       1.818919  0.5955734      1.755757  
1 1 1 10  18 20 o 85.71341 0.9831862 73.56049       1.685442  73.60284       2.381765  73.51802       2.385388  0.4964447E-01  1.966372  
1 1 1 10  18 21 o 74.08665 0.8843424 54.19940       1.298372  60.42717       2.008523  49.72886       1.701729  7.206871       1.768685  
1 1 1 10  18 22 o 47.88589 0.7683421 22.80812       0.7325814 21.52798       0.9814350 24.41880       1.100875  -3.013653      1.536684  
1 1 1 10  18 23 o 108.7960 1.203720  118.4650       2.616399  122.0424       3.807964  115.2660       3.600998  3.100700       2.407440  
1 1 1 10  18 24 o 25.15803 0.6630912 6.265990       0.3292667 7.863401       0.4919190 4.969376       0.4431907 5.749846       1.326182  
1 1 1 10  18 25 f 102.4935 1.144312  105.2528       2.344867  107.0709       3.370637  103.5478       3.264207  1.710785       2.288625  
1 1 1 10  18 26 f 78.83882 0.9309329 61.88599       1.461636  66.24227       2.193452  58.40666       1.960277  4.954124       1.861866  
1 1 1 10  18 27 o 40.43723 0.6657824 16.36617       0.5384236 16.39272       0.7653674 16.34016       0.7575843 0.6462097E-01  1.331565  
1 1 1 10  18 28 o 31.99053 0.6427788 10.19913       0.4103551 11.08315       0.6031138 9.437118       0.5599469 2.570446       1.285558  
1 1 1 10  18 29 o 40.79653 0.6759971 16.53897       0.5493941 15.25884       0.7383137 18.12726       0.8223901 -3.510609      1.351994  
1 1 1 10  18 30 o 29.24057 0.6553189 8.556081       0.3826281 9.235770       0.5481092 7.909998       0.5343875 2.266148       1.310638  
1 1 1 10  18 31 f 45.03776 0.6962782 20.11503       0.6240757 22.55015       0.9395922 18.19269       0.8348210 4.829960       1.392556  
1 1 1 10  18 32 o 92.67369 1.065984  86.00014       1.972591  83.13105       2.698603  89.29205       2.890613  -3.301796      2.131969  
1 1 1 10  18 33 o 84.52222 0.9939443 71.51108       1.677581  74.50436       2.457594  68.89942       2.295597  3.296753       1.987889  
1 1 1 10  18 34 o 38.99385 0.6911654 15.21015       0.5385942 16.05990       0.7770687 14.42451       0.7471845 2.094368       1.382331  
1 1 1 10  18 35 f 32.71484 0.6974674 10.44018       0.4493525 13.40266       0.6977335 8.340674       0.5873805 7.726198       1.394935  
1 1 1 10  18 36 o 39.88158 0.9990544 16.19556       0.6773785 15.53374       1.376590  16.40701       0.7780991 -1.174385      1.998109  
1 1 1 10  18 37 o 47.33910 1.194269  22.53769       1.129049  20.92536       1.580373  24.21849       1.613577  -3.472450      2.388538  
1 1 1 10  18 38 o 29.24283 0.7027199 8.542147       0.4097515 8.913591       0.6081452 8.233327       0.5545133 1.157249       1.405440  
1 1 1 10  18 39 o 29.36464 0.7053810 8.429739       0.4090929 10.33436       0.6386320 7.104332       0.5327466 5.486885       1.410762  
1 1 1 10  18 40 f 69.15083 0.8809293 47.86343       1.215380  49.93137       1.795414  46.11428       1.651237  2.737534       1.761859  
1 1 1 10  18 41 o 39.36177 0.7408306 15.55464       0.5809216 15.34366       0.8572848 15.73377       0.7899360 -0.5047989     1.481661  
1 1 1 10  18 42 f 16.04810 1.083837  2.504177       0.3350240 3.679203       0.5245066 1.694393       0.4354232 6.165182       2.167673  
1 1 1 10  18 43 o 40.27161 0.8838325 16.29282       0.7117692 16.47616       1.016898  16.11673       0.9965967 0.4423561      1.767665  
1 1 1 10  18 44 o 20.10275 0.9603823 4.057253       0.3849355 4.152669       0.5699092 3.977205       0.5220022 0.4262772      1.920765  
1 1 1 10  18 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  18 46 o 45.71893 0.9494348 21.00256       0.8674243 21.92422       1.257837  20.16677       1.197810  1.907673       1.898870  
1 1 1 10  18 47 o 7.945991 2.057441  0.4619087      0.3765726 0.7586983      0.7744918 0.3700222      0.4309414 2.503374       4.114882  
1 1 1 10  19 0  o 36.14004 0.6273153 12.95137       0.4512650 11.92805       0.6033542 14.25058       0.6798406 -3.212406      1.254631  
1 1 1 10  19 1  o 37.95111 0.6279508 14.34797       0.4754676 13.60777       0.6454298 15.22633       0.7030900 -2.131794      1.255902  
1 1 1 10  19 2  o 42.65898 0.6468272 18.16932       0.5513654 19.13172       0.7991595 17.29506       0.7616864 2.152275       1.293654  
1 1 1 10  19 3  o 138.3734 1.484663  191.6864       4.108512  190.5403       5.772904  192.8626       5.848460  -0.8370209     2.969325  
1 1 1 10  19 4  o 66.20137 0.8068147 43.81684       1.067733  43.06187       1.482687  44.63012       1.538885  -1.183540      1.613629  
1 1 1 10  19 5  o 158.4264 1.685302  251.4109       5.339803  250.5135       7.521526  252.3228       7.582082  -0.5688629     3.370603  
1 1 1 10  19 6  o 61.99502 0.7734063 38.43195       0.9587372 39.27884       1.373205  37.62653       1.339155  1.332031       1.546813  
1 1 1 10  19 7  o 117.2294 1.277081  137.2131       2.987918  132.3587       4.069710  142.8894       4.400792  -4.481720      2.554161  
1 1 1 10  19 8  o 142.5091 1.527024  203.4120       4.352295  203.5737       6.158742  203.2507       6.151415  0.1130676      3.054049  
1 1 1 10  19 9  o 159.9043 1.702508  255.8393       5.437671  248.9372       7.465215  263.6402       7.936457  -4.576706      3.405015  
1 1 1 10  19 10 o 137.4803 1.478394  188.9246       4.057735  182.8758       5.543127  195.9084       5.956113  -4.722687      2.956788  
1 1 1 10  19 11 o 107.8393 1.189775  115.7326       2.553616  109.7679       3.414930  123.2986       3.846117  -6.257950      2.379550  
1 1 1 10  19 12 o 65.30613 0.8034537 42.67183       1.049376  43.13025       1.489919  42.22059       1.478233  0.6961517      1.606907  
1 1 1 10  19 13 f 52.46324 1.546173  27.55525       1.622345  27.55525       1.622345  ?              ?         ?              ?         
1 1 1 10  19 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  19 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  19 16 o 113.6289 1.737836  129.1256       3.938290  135.5711       5.839261  123.7470       5.334121  5.165062       3.475672  
1 1 1 10  19 17 o 16.01276 0.7833544 2.543705       0.2489307 2.739593       0.3813551 2.398273       0.3285907 1.063912       1.566709  
1 1 1 10  19 18 o 110.9929 1.223031  123.0904       2.709156  128.5470       3.992203  118.4326       3.688451  4.538925       2.446062  
1 1 1 10  19 19 o 33.71146 0.6691703 11.34927       0.4486646 11.16636       0.6013023 11.57902       0.6739007 -0.6096535     1.338341  
1 1 1 10  19 20 o 145.7442 1.567005  212.9607       4.563592  218.3759       6.623313  208.0662       6.296844  3.509995       3.134010  
1 1 1 10  19 21 o 59.21658 0.7675015 35.08821       0.9088419 35.67667       1.298935  34.52383       1.272079  0.9722862      1.535003  
1 1 1 10  19 22 o 118.3572 1.297034  140.3654       3.068545  143.3764       4.430059  137.5885       4.254424  2.431992       2.594069  
1 1 1 10  19 23 f 14.50253 0.8095576 2.100604       0.2334822 2.428013       0.3393680 1.806351       0.3217253 2.142377       1.619115  
1 1 1 10  19 24 o 49.10130 0.7035283 24.13637       0.6907853 24.51028       0.9745169 23.75876       0.9793367 0.7655144      1.407057  
1 1 1 10  19 25 o 79.23380 0.9394334 62.62822       1.484315  59.65991       2.007671  66.20663       2.204365  -4.118217      1.878867  
1 1 1 10  19 26 o 60.37545 0.7846567 36.49789       0.9474006 36.21465       1.329476  36.79014       1.350423  -0.4753036     1.569313  
1 1 1 10  19 27 o 80.65696 0.9517251 65.19463       1.535237  65.43770       2.179168  64.95509       2.163224  0.2978973      1.903450  
1 1 1 10  19 28 o 43.06426 0.6855574 18.53107       0.5898420 17.74276       0.8119823 19.41180       0.8582658 -1.934944      1.371115  
1 1 1 10  19 29 o 65.28471 0.8265458 42.70485       1.079215  42.72549       1.527362  42.68428       1.525123  0.3137207E-01  1.653092  
1 1 1 10  19 30 o 72.56779 0.8910788 52.75176       1.292668  51.73092       1.795093  53.85131       1.863014  -1.454582      1.782158  
1 1 1 10  19 31 o 91.70723 1.056085  84.28704       1.935064  81.98460       2.665177  86.85391       2.814078  -2.637062      2.112169  
1 1 1 10  19 32 o 61.27348 0.8072238 37.54284       0.9879857 39.36922       1.441987  35.92688       1.356384  2.800617       1.614448  
1 1 1 10  19 33 o 20.21913 0.7658087 4.097050       0.3096319 4.002970       0.4367703 4.192096       0.4390097 -0.4674683     1.531617  
1 1 1 10  19 34 f 18.77262 1.328563  3.306366       0.3900162 3.947033       0.9356887 3.171650       0.4290665 1.976694       2.657127  
1 1 1 10  19 35 o 21.44423 1.406719  4.638319       0.5327656 4.641860       0.6220148 4.628568       1.032251  0.1108150      2.813438  
1 1 1 10  19 36 o 57.30369 0.7828352 32.82119       0.8958088 30.99850       1.227096  34.90094       1.310770  -3.395435      1.565670  
1 1 1 10  19 37 o 65.15875 0.8410309 42.59362       1.095912  42.61034       1.560494  42.57734       1.539427  0.2246094E-01  1.682062  
1 1 1 10  19 38 o 24.82924 0.7308415 6.175156       0.3623993 6.289670       0.5289025 6.073812       0.4975530 0.4306641      1.461683  
1 1 1 10  19 39 o 50.36165 0.7543268 25.31313       0.7570333 26.82259       1.130256  24.08501       1.019503  2.703110       1.508654  
1 1 1 10  19 40 o 31.54570 0.8038332 10.00352       0.5056416 9.724149       0.7381307 10.25054       0.6940717 -0.8410149     1.607666  
1 1 1 10  19 41 f 26.95108 0.8490067 7.283506       0.4565366 6.606343       0.6337912 8.013786       0.6581797 -2.606983      1.698013  
1 1 1 10  19 42 o 44.29535 0.9087487 19.71041       0.8048037 20.18919       1.156330  19.26058       1.120829  1.041069       1.817497  
1 1 1 10  19 43 o 31.49606 0.8565319 9.957355       0.5390768 9.386970       0.7516954 10.56133       0.7735121 -1.860168      1.713064  
1 1 1 10  19 44 o 25.03221 0.9098886 6.231616       0.4529022 7.196792       0.6805173 5.464214       0.6068031 3.444862       1.819777  
1 1 1 10  19 45 o 11.28034 1.552404  1.337631       0.3365447 1.324277       0.4943570 1.349164       0.4594499 -0.1429062     3.104809  
1 1 1 10  19 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  20 0  o 32.33429 0.6130983 10.32057       0.3938683 9.154252       0.5230743 11.84777       0.5985519 -4.164030      1.226197  
1 1 1 10  20 1  o 152.9687 1.631307  234.1652       4.986491  240.0627       7.234344  228.8272       6.882715  3.658890       3.262614  
1 1 1 10  20 2  o 152.0351 1.622135  231.5161       4.931532  229.1751       6.896150  233.9662       7.055044  -1.569397      3.244270  
1 1 1 10  20 3  o 124.9504 1.752728  157.4361       4.346731  166.3529       5.903800  146.8806       6.423434  7.814796       3.505456  
1 1 1 10  20 4  o 106.8253 1.698030  114.3605       3.627850  114.4812       5.134221  114.2402       5.126896  0.1125107      3.396061  
1 1 1 10  20 5  o 91.95552 1.508162  83.99478       2.757302  91.13359       4.185003  78.51889       3.665302  6.837463       3.016324  
1 1 1 10  20 6  f 166.5143 2.527102  278.4858       8.409685  272.6754       11.62687  284.8606       12.17848  -3.618164      5.054204  
1 1 1 10  20 7  f 18.65783 1.153223  3.388360       0.4108021 3.804910       0.7109701 3.179591       0.5033262 1.668371       2.306445  
1 1 1 10  20 8  o 135.8204 2.096460  184.5567       5.677814  177.2273       7.682123  193.3808       8.429039  -5.895859      4.192920  
1 1 1 10  20 9  o 53.33802 1.108500  28.46462       1.181920  27.94612       1.640682  29.02398       1.704094  -1.008064      2.217000  
1 1 1 10  20 10 o 192.9785 2.913687  375.3631       11.24307  370.8628       15.70226  380.0976       16.10562  -2.352509      5.827374  
1 1 1 10  20 11 o 115.5272 1.820066  133.8918       4.204807  135.2973       6.004846  132.5396       5.889812  1.186020       3.640131  
1 1 1 10  20 12 o 61.02641 1.002701  35.75157       1.077991  34.17054       1.243448  40.53488       2.162827  -5.178612      2.005403  
1 1 1 10  20 13 o 72.30476 0.8655885 52.32746       1.251676  52.31218       1.762370  52.34302       1.778008  -0.2074432E-01 1.731177  
1 1 1 10  20 14 f 140.1543 1.508553  196.6787       4.223043  202.9840       6.165355  191.1058       5.796286  4.212570       3.017105  
1 1 1 10  20 15 o 130.3170 1.411562  170.2644       3.678963  169.7842       5.187201  170.7504       5.218622  -0.3686523     2.823123  
1 1 1 10  20 16 o 69.63428 1.004698  48.51519       1.337490  48.41681       1.662221  48.69585       2.252566  -0.1720200     2.009396  
1 1 1 10  20 17 o 101.5638 1.567791  103.5187       3.184617  103.5399       4.503936  103.4974       4.503521  0.2088165E-01  3.135582  
1 1 1 10  20 18 o 44.27979 0.8427278 19.62628       0.7462703 19.47364       1.048324  19.78310       1.062592  -0.3487854     1.685456  
1 1 1 10  20 19 o 21.89533 0.7635236 4.607983       0.3257426 6.419963       0.5166402 3.412366       0.4196698 6.864082       1.527047  
1 1 1 10  20 20 o 82.85807 1.157199  68.44875       1.820246  69.94125       3.125328  67.68259       2.239228  1.303558       2.314398  
1 1 1 10  20 21 o 35.46222 0.6444643 12.25531       0.4509870 10.45187       0.5841302 14.91679       0.7096096 -6.290043      1.288929  
1 1 1 10  20 22 o 68.82616 0.8488964 47.43232       1.168450  47.97968       1.663918  46.89980       1.641191  0.7831421      1.697793  
1 1 1 10  20 23 o 25.31146 0.6580514 6.295704       0.3295180 5.195364       0.4362858 7.756964       0.5027725 -5.057079      1.316103  
1 1 1 10  20 24 o 11.03186 0.9893632 1.235747       0.2149332 1.005295       0.3079697 1.454581       0.3001057 -2.036904      1.978726  
1 1 1 10  20 25 o 72.61008 0.8805033 52.60410       1.274886  50.18347       1.724382  55.52240       1.893364  -3.663971      1.761007  
1 1 1 10  20 26 f 61.32019 0.7986416 37.65721       0.9793856 38.22660       1.394393  37.10281       1.375913  0.9150009      1.597283  
1 1 1 10  20 27 o 51.54155 0.7323189 26.60395       0.7547538 26.53037       1.056464  26.68065       1.078648  -0.1441689     1.464638  
1 1 1 10  20 28 o 73.97023 0.8998926 54.75992       1.329894  56.68932       1.935926  53.03580       1.830044  2.459595       1.799785  
1 1 1 10  20 29 o 78.13213 0.9384218 61.16022       1.465523  59.76940       2.029892  62.67445       2.118043  -1.849983      1.876844  
1 1 1 10  20 30 o 65.17989 0.8323519 42.46600       1.083017  40.77923       1.477519  44.42459       1.592127  -2.785137      1.664704  
1 1 1 10  20 31 o 42.81841 0.7045444 18.30642       0.6020248 17.50093       0.8189560 19.25349       0.8880140 -2.040340      1.409089  
1 1 1 10  20 32 o 50.89268 1.237945  25.89310       1.256206  28.40656       1.863204  23.79835       1.700949  4.500389       2.475889  
1 1 1 10  20 33 o 57.61983 1.038789  33.30048       1.082108  33.24752       1.280599  33.43273       2.023525  -0.5695343E-01 2.077579  
1 1 1 10  20 34 o 22.47049 0.7460817 5.057424       0.3351753 4.932606       0.4664480 5.190677       0.4819509 -0.5725594     1.492163  
1 1 1 10  20 35 o 61.52658 0.8225827 37.92447       1.011439  36.99570       1.397598  38.94583       1.465606  -1.576347      1.645165  
1 1 1 10  20 36 o 39.49959 0.7181506 15.59145       0.5663601 14.80024       0.7738420 16.50414       0.8311312 -2.149918      1.436301  
1 1 1 10  20 37 o 51.66633 0.7557624 26.71990       0.7801952 25.31243       1.077928  28.26853       1.130688  -2.853733      1.511525  
1 1 1 10  20 38 o 72.75417 1.062894  53.38925       1.489033  52.65572       2.455223  53.81602       1.872756  -0.9072037     2.125789  
1 1 1 10  20 39 o 17.49500 0.9734792 2.971246       0.3318230 4.133770       0.5203989 2.174764       0.4307482 5.582080       1.946958  
1 1 1 10  20 40 o 59.97314 1.062162  36.16296       1.273181  35.25140       1.761877  37.15919       1.841886  -1.573418      2.124324  
1 1 1 10  20 41 o 7.168668 1.603810  0.5131937      0.2735508 0.2138004      0.4269883 0.7216209      0.3562641 -2.221588      3.207619  
1 1 1 10  20 42 o 40.54384 0.8941386 16.52113       0.7250264 16.62922       1.025810  16.41324       1.024875  0.2661629      1.788277  
1 1 1 10  20 43 o 37.85744 0.8775177 14.40365       0.6643232 14.21224       0.9302516 14.60285       0.9490191 -0.5119324     1.755035  
1 1 1 10  20 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  20 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  21 0  o 151.7933 1.622481  230.8587       4.923837  227.6129       6.853755  234.3209       7.078392  -2.198059      3.244962  
1 1 1 10  21 1  o 54.13310 0.7199233 29.25729       0.7785910 30.69008       1.133371  27.97683       1.071427  2.504654       1.439847  
1 1 1 10  21 2  o 25.27707 0.6227410 6.397511       0.3130475 7.306217       0.4490174 5.538085       0.4366726 3.497252       1.245482  
1 1 1 10  21 3  o 33.91617 0.6121081 11.47036       0.4142996 10.97982       0.5636590 12.04680       0.6110187 -1.571999      1.224216  
1 1 1 10  21 4  o 130.1552 1.406346  169.0383       3.649011  177.9019       5.429698  161.7379       4.927709  6.185707       2.812692  
1 1 1 10  21 5  o 15.88619 0.7171061 2.527233       0.2275712 2.581082       0.3163317 2.469467       0.3276342 0.3515730      1.434212  
1 1 1 10  21 6  f 59.32226 0.9714154 34.80665       1.053426  36.25143       1.951414  34.21247       1.251433  1.695000       1.942831  
1 1 1 10  21 7  o 107.6493 1.714218  116.2254       3.690178  115.3008       5.168145  117.1870       5.270768  -0.8695450     3.428436  
1 1 1 10  21 8  o 62.22425 1.181847  38.74819       1.470132  39.85615       2.118073  37.71822       2.042166  1.714333       2.363694  
1 1 1 10  21 9  o 98.85293 1.195087  98.22000       2.352197  102.1582       3.219097  93.70849       3.445444  4.285461       2.390175  
1 1 1 10  21 10 o 87.66817 1.004312  76.93763       1.760597  76.12147       2.461618  77.79235       2.519098  -0.9503860     2.008624  
1 1 1 10  21 11 o 135.2444 1.460357  182.9662       3.942322  190.2028       5.798127  176.7443       5.376308  4.947632       2.920713  
1 1 1 10  21 12 o 40.66684 0.6488023 16.55015       0.5275888 16.74981       0.7417002 16.34565       0.7506266 0.4971848      1.297605  
1 1 1 10  21 13 o 38.41641 0.6470588 14.32837       0.4896969 17.97549       0.7720235 11.87315       0.6334326 7.938000       1.294118  
1 1 1 10  21 14 o 147.9792 2.230803  219.7714       6.582247  211.1192       8.903960  230.1974       9.774184  -6.347015      4.461607  
1 1 1 10  21 15 o 36.69028 0.6388870 13.46964       0.4687234 13.84083       0.6655152 13.10429       0.6602660 1.003551       1.277774  
1 1 1 10  21 16 o 92.95656 1.055147  86.54578       1.961464  87.38530       2.797916  85.73446       2.750547  0.8852310      2.110294  
1 1 1 10  21 17 o 92.62256 1.053631  85.92684       1.951555  86.91267       2.786931  84.97831       2.733671  1.041023       2.107261  
1 1 1 10  21 18 o 30.57904 0.6400384 9.109059       0.3857404 11.57407       0.6003789 7.376165       0.5033871 6.860210       1.280077  
1 1 1 10  21 19 o 119.6652 1.314941  143.6394       3.146502  145.4889       4.501379  141.8723       4.400004  1.502037       2.629882  
1 1 1 10  21 20 o 74.54469 1.068867  54.82215       1.496015  53.23698       1.812475  58.21061       2.649926  -3.273804      2.137733  
1 1 1 10  21 21 f 74.71834 1.208552  55.97316       1.805484  55.19996       2.516727  56.79306       2.591598  -1.059578      2.417105  
1 1 1 10  21 22 f 94.87991 1.480613  90.37678       2.807364  88.40447       3.878305  92.54777       4.068979  -2.161072      2.961226  
1 1 1 10  21 23 o 89.07959 1.402715  79.72336       2.499063  79.81809       3.535959  79.62881       3.532463  0.1058273      2.805429  
1 1 1 10  21 24 o 62.30465 0.8140619 38.86097       1.014055  37.99427       1.411879  39.78445       1.457385  -1.433296      1.628124  
1 1 1 10  21 25 o 99.81531 1.130710  99.47157       2.248310  105.5995       3.365265  94.53127       3.021607  5.505821       2.261420  
1 1 1 10  21 26 o 28.97560 0.6704129 8.399048       0.3881716 8.911800       0.5576099 7.916931       0.5406958 1.715551       1.340826  
1 1 1 10  21 27 o 67.19054 0.8469659 45.13151       1.136346  47.21666       1.665570  43.31572       1.554269  2.892662       1.693932  
1 1 1 10  21 28 o 66.25880 0.8438163 43.98802       1.117969  44.84574       1.601246  43.17227       1.561593  1.258942       1.687633  
1 1 1 10  21 29 o 19.21165 1.393901  4.150527       0.3836794 3.107069       0.9103634 4.375907       0.4230910 -3.376459      2.787803  
1 1 1 10  21 30 f 60.84156 1.279820  37.13673       1.554787  39.14634       2.279734  35.38916       2.125917  3.061607       2.559639  
1 1 1 10  21 31 o 44.69734 0.7190164 19.92221       0.6412169 21.63645       0.9456257 18.46309       0.8724262 3.542656       1.438033  
1 1 1 10  21 32 f 89.22992 1.046561  79.96819       1.867621  80.50993       2.655404  79.43785       2.627251  0.5965195      2.093123  
1 1 1 10  21 33 o 54.28977 0.7727436 29.51659       0.8385853 30.50536       1.210361  28.60379       1.162938  1.745926       1.545487  
1 1 1 10  21 34 o 47.15816 0.7413511 22.29793       0.6990904 22.58718       0.9838296 22.00291       0.9935685 0.6206360      1.482702  
1 1 1 10  21 35 o 53.74308 0.7800721 28.96751       0.8384317 29.32355       1.191754  28.61859       1.179780  0.6542358      1.560144  
1 1 1 10  21 36 o 57.02975 0.8088720 32.51509       0.9207970 30.79476       1.255309  34.51887       1.354779  -3.250847      1.617744  
1 1 1 10  21 37 o 36.10635 0.8091064 13.07759       0.5830994 13.13614       0.8529915 13.02622       0.7989161 0.1441536      1.618213  
1 1 1 10  21 38 o 61.74065 1.076562  38.25632       1.326758  36.68538       1.808750  40.08607       1.952073  -2.723431      2.153123  
1 1 1 10  21 39 o 29.18317 0.8451073 8.552672       0.4932461 8.521268       0.6991674 8.583789       0.6959544 -0.1076832     1.690215  
1 1 1 10  21 40 o 54.20250 1.003733  29.56133       1.088027  29.99699       1.547920  29.13588       1.529649  0.7902756      2.007466  
1 1 1 10  21 41 o 30.32241 0.8504081 9.185606       0.5142540 10.12527       0.7594690 8.389985       0.6988382 2.849665       1.700816  
1 1 1 10  21 42 o 40.44964 1.267355  0.000000       0.000000  ?              ?         16.45358       1.025281  ?              ?         
1 1 1 10  21 43 f 29.06682 1.007012  8.663930       0.5700539 9.328614       0.7447883 7.723786       0.8857736 2.794764       2.014024  
1 1 1 10  21 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  22 0  o 116.0111 1.269152  134.7551       2.943547  137.2078       4.235520  132.4640       4.093709  2.037498       2.538304  
1 1 1 10  22 1  o 46.40805 0.8700553 20.61085       0.7176186 23.62271       1.423126  19.58389       0.8310053 4.330944       1.740111  
1 1 1 10  22 2  o 98.34543 1.590101  96.98181       3.127100  98.36821       4.470784  95.65386       4.375528  1.373703       3.180202  
1 1 1 10  22 3  o 78.06439 1.343055  59.98664       2.072443  68.19733       3.247390  54.34469       2.691901  8.840477       2.686111  
1 1 1 10  22 4  o 94.68749 1.545305  89.81982       2.923562  87.71198       4.029305  92.16322       4.248477  -2.335587      3.090609  
1 1 1 10  22 5  o 68.84256 0.9093966 47.49577       1.236520  47.78572       1.628134  47.10059       1.900755  0.5086594      1.818793  
1 1 1 10  22 6  o 72.96234 0.8707031 53.16766       1.268410  51.36324       1.733756  55.24567       1.860553  -2.655571      1.741406  
1 1 1 10  22 7  o 45.13598 0.6658961 20.17408       0.5972351 18.61903       0.7915364 22.22964       0.9100451 -3.996059      1.331792  
1 1 1 10  22 8  o 119.7094 1.307627  143.2621       3.124097  138.2997       4.255377  149.0636       4.601134  -4.474480      2.615255  
1 1 1 10  22 9  o 87.35518 1.001359  76.33103       1.747827  74.59968       2.410003  78.25208       2.538610  -2.084259      2.002718  
1 1 1 10  22 10 o 87.20372 1.369878  76.24845       2.389150  76.52654       3.387084  75.97308       3.370513  0.3161850      2.739756  
1 1 1 10  22 11 o 102.2130 1.231570  104.3629       2.484826  102.6116       3.248764  106.8317       3.857196  -2.025063      2.463140  
1 1 1 10  22 12 o 145.7385 1.567608  213.1498       4.568489  215.4857       6.531417  210.9123       6.392462  1.557312       3.135216  
1 1 1 10  22 13 o 45.82130 0.6784859 20.98545       0.6214042 21.87398       0.8969424 20.16535       0.8617124 1.863136       1.356972  
1 1 1 10  22 14 f 73.55697 0.8830705 54.14388       1.298659  55.30885       1.867264  53.05246       1.807363  1.530731       1.766141  
1 1 1 10  22 15 o 39.53123 0.6484385 15.56163       0.5114060 16.90347       0.7548081 14.42296       0.6953231 3.135033       1.296877  
1 1 1 10  22 16 o 128.5897 1.398813  165.8589       3.595599  169.2379       5.186518  162.7322       4.989114  2.511055       2.797625  
1 1 1 10  22 17 o 70.94167 0.8651866 50.34923       1.226833  51.95602       1.772561  48.87176       1.699736  2.169373       1.730373  
1 1 1 10  22 18 o 77.42140 0.9208024 60.02721       1.425611  60.97367       2.036118  59.11705       1.996698  1.196480       1.841605  
1 1 1 10  22 19 o 52.23136 0.7309663 26.86851       0.7558767 24.33691       0.9869928 30.45939       1.175486  -5.850513      1.461933  
1 1 1 10  22 20 o 23.01066 0.6683662 5.285162       0.3068775 5.820980       0.4461772 4.804135       0.4227503 2.208229       1.336732  
1 1 1 10  22 21 o 28.64711 0.6545867 8.131572       0.3729322 7.103730       0.5011429 9.407167       0.5582838 -4.017160      1.309173  
1 1 1 10  22 22 o 62.79968 0.8066978 39.50459       1.013140  39.47520       1.424330  39.53468       1.441414  -0.4608536E-01 1.613396  
1 1 1 10  22 23 o 50.16864 0.7661954 25.26004       0.7666261 27.40746       1.083349  23.10608       1.084999  4.287041       1.532391  
1 1 1 10  22 24 o 32.48161 0.7842312 10.56563       0.5093581 10.84156       0.7283176 10.30147       0.7126211 0.8300896      1.568462  
1 1 1 10  22 25 o 26.57026 0.7817957 7.037580       0.4143093 6.400088       0.5648983 7.779668       0.6094822 -2.592304      1.563591  
1 1 1 10  22 26 o 91.71880 1.446362  84.70120       2.653168  84.78136       3.750928  84.62094       3.753367  0.8786011E-01  2.892723  
1 1 1 10  22 27 o 42.69772 1.778534  0.000000       0.000000  ?              ?         18.33164       1.518787  ?              ?         
1 1 1 10  22 28 f 90.73074 1.328941  83.26691       2.255360  84.02749       2.748550  81.69924       3.946003  1.488274       2.657883  
1 1 1 10  22 29 o 50.48292 0.7524295 25.53529       0.7595935 25.85861       1.085216  25.22473       1.063566  0.6255989      1.504859  
1 1 1 10  22 30 o 89.17009 1.043876  79.85851       1.861649  79.87120       2.634063  79.84585       2.631476  0.1383209E-01  2.087751  
1 1 1 10  22 31 o 106.1593 1.204193  113.0561       2.551039  117.9542       3.761840  108.8858       3.471101  4.219902       2.408386  
1 1 1 10  22 32 o 20.92124 0.7680982 4.360259       0.3196541 5.054897       0.4713112 3.768562       0.4349887 3.069952       1.536196  
1 1 1 10  22 33 f 21.20960 0.7722837 4.492643       0.3263596 5.081672       0.4771900 3.975003       0.4473391 2.604963       1.544567  
1 1 1 10  22 34 o 50.24305 0.8068368 25.19044       0.8023814 26.23831       1.237013  24.42933       1.054251  1.774254       1.613674  
1 1 1 10  22 35 f 38.38873 0.8122889 14.81353       0.6223928 14.21094       0.8971381 15.37266       0.8641795 -1.517895      1.624578  
1 1 1 10  22 36 o 42.72868 0.8849703 18.33446       0.7562580 18.42930       1.073545  18.24104       1.065521  0.2189407      1.769941  
1 1 1 10  22 37 o 27.80091 0.8286235 7.759940       0.4606319 7.703812       0.6568289 7.814259       0.6461658 -0.2004032     1.657247  
1 1 1 10  22 38 o 14.05614 1.149775  2.049445       0.3135944 1.567438       0.4604685 2.466380       0.4282601 -3.205649      2.299550  
1 1 1 10  22 39 o 65.97458 1.133732  43.87143       1.495801  43.59793       2.098146  44.15411       2.133049  -0.4127808     2.267463  
1 1 1 10  22 40 o 44.90046 1.310107  0.000000       0.000000  ?              ?         20.27462       1.176488  ?              ?         
1 1 1 10  22 41 o 25.72139 1.257399  6.653253       0.6468409 6.653253       0.6468409 ?              ?         ?              ?         
1 1 1 10  22 42 o 26.57933 0.8841301 7.074373       0.4689118 7.762762       0.6864827 6.472250       0.6420299 2.418034       1.768260  
1 1 1 10  23 0  o 48.06018 0.9121466 21.97793       0.7598882 20.91899       0.8683743 25.43950       1.570027  -4.673290      1.824293  
1 1 1 10  23 1  o 63.53119 0.7955009 40.35302       1.009925  39.40021       1.394058  41.40541       1.465085  -1.575424      1.591002  
1 1 1 10  23 2  o 70.57802 0.8555685 49.86200       1.207643  49.80633       1.700185  49.91871       1.715650  -0.7897186E-01 1.711137  
1 1 1 10  23 3  o 104.6604 1.162254  109.7376       2.432743  110.4705       3.459238  109.0205       3.421903  0.6905594      2.324508  
1 1 1 10  23 4  o 75.00608 0.8924096 55.98007       1.333274  60.04581       1.998535  52.71939       1.789761  4.874496       1.784819  
1 1 1 10  23 5  o 58.06876 0.7617080 33.71978       0.8839555 33.06081       1.222045  34.44294       1.280184  -1.187801      1.523416  
1 1 1 10  23 6  f 111.0345 1.704152  122.8986       3.761885  132.0011       5.706777  115.9035       5.002700  7.185623       3.408303  
1 1 1 10  23 7  o 97.09267 1.094528  94.30746       2.123009  91.79335       2.919989  97.12685       3.092182  -2.736496      2.189056  
1 1 1 10  23 8  o 72.24802 0.8708736 52.25176       1.258278  52.80095       1.793388  51.71930       1.765878  0.7472687      1.741747  
1 1 1 10  23 9  o 94.25725 1.067229  88.81319       2.008574  85.88300       2.747090  92.17910       2.944254  -3.328171      2.134458  
1 1 1 10  23 10 o 95.05090 1.073945  90.47041       2.040734  89.03564       2.837200  92.00840       2.937479  -1.557594      2.147891  
1 1 1 10  23 11 o 129.5667 1.407401  167.9323       3.637971  161.6324       4.940063  175.3971       5.377458  -5.274597      2.814801  
1 1 1 10  23 12 o 71.18688 0.8625987 50.74374       1.228097  51.11273       1.741346  50.37860       1.732271  0.5151367      1.725197  
1 1 1 10  23 13 o 45.81277 0.6809024 20.85968       0.6210675 19.52765       0.8314789 22.54076       0.9340935 -3.283653      1.361805  
1 1 1 10  23 14 o 59.47973 0.7758376 35.30279       0.9212247 37.39880       1.354005  33.49632       1.257012  3.275227       1.551675  
1 1 1 10  23 15 o 61.21418 0.7860704 37.34212       0.9596106 39.82131       1.424687  35.28332       1.298291  3.699638       1.572141  
1 1 1 10  23 16 o 92.98813 1.060031  86.55965       1.969570  89.25217       2.861522  84.13573       2.715034  2.739426       2.120063  
1 1 1 10  23 17 f 6.960213 1.300555  0.4704178      0.1976548 0.7926339      0.2942474 0.2054828      0.2668140 3.549640       2.601111  
1 1 1 10  23 18 o 36.99766 0.6579015 13.65837       0.4858887 14.87322       0.7084993 12.57965       0.6676220 3.097328       1.315803  
1 1 1 10  23 19 o 46.44830 0.7025028 21.57079       0.6519577 20.94654       0.8980597 22.26637       0.9479790 -1.417614      1.405006  
1 1 1 10  23 20 o 69.81549 0.8630704 48.43292       1.198032  45.28977       1.592780  52.52789       1.818022  -5.164894      1.726141  
1 1 1 10  23 21 o 25.47517 0.6728844 6.498374       0.3428261 6.569507       0.4857151 6.427758       0.4839483 0.2780895      1.345769  
1 1 1 10  23 22 o 60.48302 0.7936783 36.64807       0.9599924 36.46075       1.347110  36.84136       1.368409  -0.3128548     1.587357  
1 1 1 10  23 23 o 57.25637 0.7759548 32.66858       0.8853855 30.86756       1.192175  34.88366       1.322134  -3.495937      1.551910  
1 1 1 10  23 24 o 65.70463 1.295302  43.37416       1.701349  42.16555       2.362495  44.67625       2.452151  -1.896942      2.590604  
1 1 1 10  23 25 o 59.93929 1.270998  36.07118       1.521889  34.93596       2.091854  37.34773       2.218256  -1.991825      2.541997  
1 1 1 10  23 26 o 46.99583 0.7229905 22.12932       0.6794358 22.13809       0.9522511 22.12022       0.9697214 0.2067566E-01  1.445981  
1 1 1 10  23 27 o 75.93563 1.103697  57.08308       1.582084  55.43675       1.927161  60.48597       2.770659  -3.199341      2.207395  
1 1 1 10  23 28 o 91.69331 1.451218  84.74380       2.660492  86.17393       3.821420  83.39860       3.706231  1.489883       2.902436  
1 1 1 10  23 29 f 43.24392 0.8698212 18.56537       0.7481232 16.91335       0.9964042 20.70008       1.132656  -4.361000      1.739642  
1 1 1 10  23 30 o 36.27497 0.7685177 13.25682       0.5531915 12.60750       0.8239855 13.78965       0.7464156 -1.638424      1.537035  
1 1 1 10  23 31 o 82.04608 0.9900408 67.62563       1.624550  67.13309       2.289675  68.12491       2.305325  -0.6018295     1.980082  
1 1 1 10  23 32 o 7.184288 1.509045  0.5121024      0.2316014 0.6516377      0.3584282 0.4120836      0.3034598 1.443906       3.018090  
1 1 1 10  23 33 o 15.49757 0.9363232 2.401632       0.2895678 2.610500       0.4258015 2.221927       0.3949572 1.248539       1.872646  
1 1 1 10  23 34 o 21.74909 0.8581601 4.740196       0.3697743 3.905868       0.5089303 5.673162       0.5381738 -4.058266      1.716320  
1 1 1 10  23 35 o 31.85629 0.8221597 10.17504       0.5234917 10.66352       0.7542250 9.720972       0.7271739 1.474951       1.644319  
1 1 1 10  23 36 o 30.57671 0.8280454 9.382030       0.5062305 9.629518       0.7264431 9.148384       0.7058375 0.7831841      1.656091  
1 1 1 10  23 37 o 15.78085 1.015567  2.505304       0.3188045 2.517943       0.4767112 2.495077       0.4288005 0.6164837E-01  2.031134  
1 1 1 10  23 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  23 39 o 45.04781 0.9199479 20.40778       0.8287098 20.90950       1.179496  19.91866       1.164592  1.096439       1.839896  
1 1 1 10  23 40 o 29.60013 0.8595114 8.722342       0.5058101 7.542666       0.6815299 10.16892       0.7547000 -4.420673      1.719023  
1 1 1 10  23 41 f 55.57398 1.443582  0.000000       0.000000  ?              ?         31.11464       1.604512  ?              ?         
1 1 1 10  24 0  o 98.25592 1.191403  96.78194       2.321633  96.97316       3.091520  96.53463       3.515825  0.2506790      2.382806  
1 1 1 10  24 1  o 30.53662 0.6403022 9.107683       0.3862981 7.636957       0.5043963 11.19412       0.6007706 -5.821037      1.280604  
1 1 1 10  24 2  o 36.06500 0.6429887 12.98862       0.4632838 12.43115       0.6374288 13.61283       0.6745069 -1.636936      1.285977  
1 1 1 10  24 3  o 87.56332 1.006219  76.61169       1.759159  79.86379       2.581001  73.79020       2.404065  3.458099       2.012438  
1 1 1 10  24 4  o 63.39954 0.7998701 40.19617       1.013621  41.40032       1.464835  39.08989       1.404049  1.819324       1.599740  
1 1 1 10  24 5  o 79.77551 0.9379396 63.73500       1.496490  63.87178       2.117048  63.59840       2.115667  0.1712723      1.875879  
1 1 1 10  24 6  o 31.54028 0.6361872 9.811147       0.3983349 8.725473       0.5264314 11.26536       0.6092640 -4.023161      1.272374  
1 1 1 10  24 7  o 134.1577 1.453767  180.6788       3.900679  180.7986       5.518699  180.5592       5.514091  0.8874512E-01  2.907534  
1 1 1 10  24 8  f 70.02962 0.8535570 48.77302       1.189493  45.94395       1.588696  52.38223       1.794423  -4.584877      1.707114  
1 1 1 10  24 9  o 102.9833 1.150527  106.1464       2.366386  102.9950       3.244848  109.7264       3.458512  -3.250954      2.301053  
1 1 1 10  24 10 o 109.9010 1.216756  120.6260       2.665424  115.3027       3.596077  127.1162       3.970654  -5.342644      2.433513  
1 1 1 10  24 11 o 77.75947 0.9216672 60.55889       1.433143  60.10081       2.006148  61.03632       2.048042  -0.5988159     1.843334  
1 1 1 10  24 12 o 59.77564 0.7787070 35.17017       0.9206739 31.91811       1.198335  39.85531       1.438335  -6.625347      1.557414  
1 1 1 10  24 13 f 19.94777 0.6965615 3.976166       0.2775648 4.257408       0.4014511 3.718589       0.3841896 1.349628       1.393123  
1 1 1 10  24 14 o 83.99912 0.9816962 70.51256       1.645960  73.87457       2.422487  67.62952       2.243304  3.702789       1.963392  
1 1 1 10  24 15 o 29.15239 0.6492584 8.483974       0.3777550 9.298580       0.5489306 7.751160       0.5206434 2.652451       1.298517  
1 1 1 10  24 16 o 76.03224 0.9148356 57.82478       1.389283  55.95932       1.905878  59.93992       2.029422  -2.607506      1.829671  
1 1 1 10  24 17 o 82.37480 0.9717079 67.52151       1.592585  72.93073       2.405964  63.30315       2.124681  5.817299       1.943416  
1 1 1 10  24 18 o 18.94466 0.7342262 3.577857       0.2767632 4.127807       0.4055021 3.098259       0.3786778 2.715231       1.468452  
1 1 1 10  24 19 o 40.57243 0.6804131 16.46370       0.5515757 16.05636       0.7600122 16.91701       0.8017520 -1.057644      1.360826  
1 1 1 10  24 20 o 33.49018 0.6648402 11.22346       0.4450746 11.75303       0.6379029 10.72111       0.6212868 1.539425       1.329680  
1 1 1 10  24 21 o 93.04269 1.583407  86.81972       2.935104  82.41069       3.946469  92.27723       4.390706  -5.221481      3.166813  
1 1 1 10  24 22 f 56.08355 1.235151  31.59296       1.384051  31.09989       1.909025  32.13931       2.009529  -0.9116859     2.470303  
1 1 1 10  24 23 o 84.35806 0.9977455 71.37028       1.682524  69.97187       2.335338  72.87957       2.426157  -1.711876      1.995491  
1 1 1 10  24 24 o 24.77355 0.6988730 6.124111       0.3455608 5.664356       0.4725108 6.652740       0.5066691 -1.991650      1.397746  
1 1 1 10  24 25 o 48.96494 0.7350361 23.95312       0.7186551 25.35101       1.053352  22.73582       0.9829589 2.663418       1.470072  
1 1 1 10  24 26 o 9.273294 1.278896  0.9629787      0.2362992 0.3181283      0.3422264 1.550540       0.3266711 -6.314506      2.557792  
1 1 1 10  24 27 o 22.04852 0.7413691 4.870629       0.3266230 4.588542       0.4571435 5.164807       0.4668385 -1.305759      1.482738  
1 1 1 10  24 28 o 23.68943 0.7390739 5.557236       0.3468281 6.769845       0.5200815 4.586069       0.4654337 4.603069       1.478148  
1 1 1 10  24 29 o 41.79803 0.7124254 17.50836       0.5954707 17.26941       0.8333589 17.75763       0.8511693 -0.5818977     1.424851  
1 1 1 10  24 30 o 16.97326 0.8400960 2.893511       0.2843407 2.615699       0.3990455 3.180048       0.4052635 -1.661551      1.680192  
1 1 1 10  24 31 o 52.92126 0.9671587 28.09396       1.022712  27.15205       1.409586  29.14090       1.486114  -1.865974      1.934317  
1 1 1 10  24 32 o 32.41602 0.8145993 10.54100       0.5280325 10.29587       0.7396545 10.79577       0.7540553 -0.7689095     1.629199  
1 1 1 10  24 33 o 45.55941 0.9002959 20.67865       0.8165345 19.09600       1.092409  22.68234       1.229158  -3.911587      1.800592  
1 1 1 10  24 34 o 15.13128 1.003887  2.297189       0.3033670 2.471965       0.4406349 2.139691       0.4182884 1.093404       2.007774  
1 1 1 10  24 35 o 27.80108 0.8266568 7.727346       0.4585997 8.374058       0.6753479 7.173958       0.6247222 2.149010       1.653314  
1 1 1 10  24 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  24 37 f 45.21037 0.9103122 20.46824       0.8210165 19.41967       1.113553  21.71716       1.215291  -2.519135      1.820624  
1 1 1 10  24 38 o 24.11135 0.8658702 5.818436       0.4166047 6.294528       0.6137144 5.411563       0.5673494 1.820871       1.731740  
1 1 1 10  24 39 o 47.51201 0.9355695 22.69634       0.8886766 22.20479       1.236049  23.22231       1.278587  -1.061058      1.871139  
1 1 1 10  25 0  o 84.52074 0.9813730 71.48372       1.657297  69.69540       2.283613  73.47372       2.408949  -2.226639      1.962746  
1 1 1 10  25 1  o 98.20813 1.107035  96.67952       2.174366  97.10168       3.085108  96.26281       3.065025  0.4255447      2.214070  
1 1 1 10  25 2  o 42.66615 0.6734983 17.93449       0.5696645 16.10561       0.7476577 20.46570       0.8795781 -5.103294      1.346997  
1 1 1 10  25 3  o 36.06999 0.6446700 13.02298       0.4648972 13.09251       0.6497734 12.95005       0.6654342 0.1981964      1.289340  
1 1 1 10  25 4  o 116.1974 1.280258  134.7912       2.963406  128.4637       3.983019  142.6366       4.435117  -6.058083      2.560517  
1 1 1 10  25 5  f 51.48576 0.7170038 26.50205       0.7378376 27.51504       1.066630  25.57252       1.021737  1.884201       1.434008  
1 1 1 10  25 6  o 71.38449 0.8685056 50.73349       1.234630  47.97137       1.655572  54.19420       1.853143  -4.346397      1.737011  
1 1 1 10  25 7  o 52.45921 0.7264229 27.38027       0.7596785 29.79434       1.130722  25.39403       1.025643  4.188351       1.452846  
1 1 1 10  25 8  o 75.68018 0.9044210 57.37905       1.368914  57.53911       1.932276  57.21777       1.939617  0.2128143      1.808842  
1 1 1 10  25 9  o 69.47630 0.8552449 48.24498       1.186357  46.64797       1.621622  50.08402       1.740167  -2.464577      1.710490  
1 1 1 10  25 10 o 62.51627 0.8023038 39.09946       1.002530  40.38554       1.448983  37.91846       1.388532  1.969097       1.604608  
1 1 1 10  25 11 o 46.74537 0.6951858 21.77904       0.6481161 20.62102       0.8773485 23.17011       0.9615810 -2.721539      1.390372  
1 1 1 10  25 12 o 33.78955 0.6474087 11.42445       0.4372742 11.28626       0.6069509 11.57356       0.6305207 -0.4237671     1.294817  
1 1 1 10  25 13 o 63.50090 0.8120162 40.30982       1.030066  42.17910       1.501780  38.64914       1.415512  2.772835       1.624032  
1 1 1 10  25 14 o 24.34868 0.6641834 5.938246       0.3233157 6.084136       0.4551935 5.789705       0.4593091 0.6048870      1.328367  
1 1 1 10  25 15 o 45.14197 0.6921724 20.13528       0.6204048 18.16018       0.8196846 22.78431       0.9492826 -5.112419      1.384345  
1 1 1 10  25 16 o 23.61962 0.6809680 5.555921       0.3204652 4.929876       0.4369986 6.284297       0.4713624 -2.864689      1.361936  
1 1 1 10  25 17 o 51.02909 0.7346024 25.88703       0.7462410 24.13249       0.9982408 28.10960       1.123521  -3.886852      1.469205  
1 1 1 10  25 18 o 16.64651 1.937105  2.795089       0.6251613 2.331228       0.8280460 3.409976       0.9533626 -3.439403      3.874209  
1 1 1 10  25 19 o 19.49247 1.448530  3.774464       0.4804394 3.728190       0.5486891 3.926535       0.9946721 -0.4339867     2.897061  
1 1 1 10  25 20 o 74.57399 0.9106534 55.22817       1.348574  51.45085       1.782951  60.27839       2.061591  -5.886696      1.821307  
1 1 1 10  25 21 o 31.33479 0.6745607 9.819438       0.4222399 9.527476       0.5802117 10.14814       0.6156362 -0.9872227     1.349121  
1 1 1 10  25 22 o 68.58826 0.8665444 47.17789       1.188672  47.60034       1.684956  46.75934       1.677143  0.6121597      1.733089  
1 1 1 10  25 23 o 11.34673 1.192357  1.379825       0.2467487 0.8161302      0.3512182 1.929222       0.3467357 -5.043542      2.384713  
1 1 1 10  25 24 o 72.15865 0.8979098 52.16151       1.294590  54.00113       1.882037  50.50933       1.783582  2.406731       1.795820  
1 1 1 10  25 25 o 25.20158 0.7068114 6.305830       0.3537410 7.470230       0.5263824 5.346906       0.4776859 4.207644       1.413623  
1 1 1 10  25 26 o 20.73839 0.7497909 4.310962       0.3106540 4.321667       0.4501546 4.301228       0.4292526 0.4684258E-01  1.499582  
1 1 1 10  25 27 o 8.298615 1.403712  0.7145851      0.2302868 0.8532113      0.3421851 0.5998212      0.3113445 1.446916       2.807424  
1 1 1 10  25 28 o 27.79360 0.7077075 7.743789       0.3933546 7.897953       0.5582489 7.591773       0.5543463 0.5503216      1.415415  
1 1 1 10  25 29 o 12.80576 1.077612  1.643419       0.2754458 1.747630       0.4053780 1.554040       0.3754228 0.7501574      2.155223  
1 1 1 10  25 30 o 10.73518 1.230042  1.189511       0.2552747 1.080286       0.3768433 1.282134       0.3470233 -1.106478      2.460084  
1 1 1 10  25 31 o 62.99733 1.083978  39.92782       1.365239  39.31190       1.899675  40.58575       1.963380  -0.9974403     2.167955  
1 1 1 10  25 32 o 13.40332 1.134780  1.850428       0.2970376 1.460001       0.4334416 2.196150       0.4078727 -2.751874      2.269559  
1 1 1 10  25 33 o 20.61582 1.066667  4.267771       0.4129087 4.317983       0.7226661 4.243433       0.5031216 0.1293831      2.133334  
1 1 1 10  25 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  25 35 o 31.61420 0.8286092 10.03486       0.5237939 10.31022       0.7497318 9.772288       0.7320960 0.8474026      1.657218  
1 1 1 10  25 36 o 42.06159 0.8835448 17.61451       0.7395286 19.71869       1.114547  15.95946       0.9884698 4.440891       1.767090  
1 1 1 10  25 37 o 25.75200 0.8501804 6.657348       0.4374589 6.260954       0.6085526 7.081217       0.6292889 -1.588312      1.700361  
1 1 1 10  25 38 o 36.44577 1.259008  0.000000       0.000000  ?              ?         13.35918       0.9177104 ?              ?         
1 1 1 10  26 0  o 85.89297 1.196263  74.56645       1.979572  71.91544       3.241290  76.14352       2.499983  -2.531464      2.392526  
1 1 1 10  26 1  o 41.69868 0.6723581 17.40648       0.5606976 17.61962       0.7929736 17.19339       0.7929187 0.5110779      1.344716  
1 1 1 10  26 2  o 75.23268 0.9039167 56.69829       1.359884  56.21938       1.904007  57.19696       1.942915  -0.6468124     1.807833  
1 1 1 10  26 3  o 31.63482 0.6552147 9.706141       0.4080537 8.065343       0.5261902 12.18155       0.6463059 -6.499260      1.310429  
1 1 1 10  26 4  o 76.73565 0.9174238 58.94852       1.406995  57.65385       1.946289  60.36578       2.036348  -1.760086      1.834848  
1 1 1 10  26 5  o 43.72196 0.6872292 18.91645       0.5970995 17.20083       0.7917732 21.17872       0.9092067 -4.542126      1.374458  
1 1 1 10  26 6  o 101.9360 1.147558  104.2420       2.339426  105.0573       3.329396  103.4468       3.287889  0.7857895      2.295116  
1 1 1 10  26 7  o 59.62811 0.7839978 35.61250       0.9348964 36.15049       1.323209  35.07623       1.321080  0.9006386      1.567996  
1 1 1 10  26 8  o 88.83103 1.025537  79.13033       1.821921  78.98959       2.564495  79.27377       2.588850  -0.1575928     2.051073  
1 1 1 10  26 9  o 82.72479 0.9739926 68.56967       1.610779  70.13998       2.319793  67.10770       2.238359  1.824913       1.947985  
1 1 1 10  26 10 o 64.13349 0.8198972 40.77169       1.044053  37.76022       1.379199  44.81364       1.597840  -5.480606      1.639794  
1 1 1 10  26 11 o 66.05803 0.8345333 43.72607       1.102503  43.69236       1.551579  43.76043       1.566884  -0.5018616E-01 1.669067  
1 1 1 10  26 12 o 79.98047 0.9526990 64.10331       1.523242  62.93383       2.115663  65.36205       2.194900  -1.510033      1.905398  
1 1 1 10  26 13 o 71.43462 0.8804045 51.10292       1.257120  52.54228       1.815505  49.77712       1.742418  1.928467       1.760809  
1 1 1 10  26 14 o 47.69698 0.9637894 22.67769       0.8216421 23.12936       1.571899  22.50789       0.9637887 0.5870590      1.927579  
1 1 1 10  26 15 f 14.63201 2.247849  2.268434       0.6363287 2.360474       0.8529745 2.152927       0.9555442 0.7505426      4.495699  
1 1 1 10  26 16 o 65.52715 1.091055  44.09755       1.331498  45.98364       1.631275  40.33270       2.304726  4.399029       2.182111  
1 1 1 10  26 17 o 20.05645 0.7600856 4.022717       0.2994279 3.066821       0.4090465 5.126252       0.4395017 -5.131191      1.520171  
1 1 1 10  26 18 f 33.51727 0.6733103 11.25230       0.4512247 11.21885       0.6302958 11.28746       0.6462597 -0.1009178     1.346621  
1 1 1 10  26 19 o 94.10684 1.083199  88.47100       2.030181  83.94987       2.724586  94.11485       3.044136  -5.353859      2.166398  
1 1 1 10  26 20 o 38.50156 0.6908701 14.83914       0.5317656 14.42139       0.7391479 15.28735       0.7656105 -1.122074      1.381740  
1 1 1 10  26 21 o 30.96107 0.6830773 9.604441       0.4229508 9.720360       0.5979211 9.488351       0.5983647 0.3747234      1.366155  
1 1 1 10  26 22 o 6.311054 1.443807  0.3669103      0.2224771 0.1360577      0.3221895 0.5773005      0.3075792 -2.264786      2.887613  
1 1 1 10  26 23 o 68.53026 0.8707533 47.02222       1.192078  49.05122       1.737768  45.21877       1.638330  2.783150       1.741507  
1 1 1 10  26 24 o 49.31113 0.7450280 24.34378       0.7342320 25.55949       1.060453  23.22434       1.017594  2.362576       1.490056  
1 1 1 10  26 25 o 63.52563 0.8384684 40.48388       1.065120  41.09661       1.522792  39.89698       1.490346  0.9394798      1.676937  
1 1 1 10  26 26 o 20.48547 0.7686075 4.193366       0.3140875 4.642640       0.4585828 3.796389       0.4310665 2.061768       1.537215  
1 1 1 10  26 27 f 61.14565 0.9962046 37.66274       1.212086  38.53509       1.644795  36.62600       1.793086  1.587345       1.992409  
1 1 1 10  26 28 f 40.63868 0.8596776 16.55588       0.6982082 17.39164       1.008607  15.78684       0.9675061 1.967865       1.719355  
1 1 1 10  26 29 f 4.301525 1.364264  -0.1629678     0.2447204 -0.2871278     0.3736194 -0.6967548E-01 0.3238630 -0.2314310     2.728529  
1 1 1 10  26 30 o 56.93359 1.018345  32.59697       1.159369  33.22875       1.657749  31.99213       1.622026  1.078621       2.036691  
1 1 1 10  26 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  26 32 o 21.59961 0.8706667 4.638413       0.3729260 5.585959       0.5567762 3.867444       0.5022262 3.967690       1.741333  
1 1 1 10  26 33 o 48.08727 0.9289077 23.23137       0.8927774 22.66853       1.235425  23.84657       1.291604  -1.212879      1.857815  
1 1 1 10  26 34 o 12.29025 1.179608  1.519470       0.2874751 1.812454       0.4205343 1.262453       0.3938760 2.229822       2.359217  
1 1 1 10  26 35 o 14.91148 1.035107  2.229270       0.3075727 2.515989       0.4511096 1.980196       0.4204535 1.788769       2.070214  
1 1 1 10  26 36 o 6.077951 1.629566  0.2730260      0.2711938 0.2367504      0.4147357 0.3001226      0.3584446 -0.3856659E-02 3.259132  
1 1 1 10  27 0  o 55.39553 0.7582082 30.31991       0.8336915 34.25366       1.278326  27.40841       1.099757  6.165215       1.516416  
1 1 1 10  27 1  o 29.28140 0.7441485 8.697011       0.4264745 9.195271       0.5584935 8.000089       0.6605141 2.048342       1.488297  
1 1 1 10  27 2  o 45.79075 0.8859486 20.92254       0.8094323 22.40788       1.195958  19.66705       1.099532  2.984112       1.771897  
1 1 1 10  27 3  o 47.58208 0.9041873 22.67688       0.8601215 23.36135       1.237446  22.03708       1.196384  1.387741       1.808375  
1 1 1 10  27 4  o 19.35583 0.8595648 3.675787       0.3252133 2.710679       0.4298460 4.967792       0.4973441 -5.824636      1.719130  
1 1 1 10  27 5  o 6.194024 1.496160  0.3539985      0.2229131 0.3416384      0.3211174 0.3654943      0.3096868 -0.8439016E-01 2.992320  
1 1 1 10  27 6  o 57.01811 0.7697375 32.42920       0.8752525 30.83176       1.184279  34.35196       1.299288  -3.077583      1.539475  
1 1 1 10  27 7  o 107.7605 1.206348  116.5998       2.599276  115.2358       3.627656  118.0388       3.726187  -1.287872      2.412695  
1 1 1 10  27 8  o 70.37296 0.8744665 49.56944       1.229773  51.40458       1.783742  47.90693       1.697764  2.476883       1.748933  
1 1 1 10  27 9  o 93.58307 1.075022  87.89823       2.012068  88.27615       2.849870  87.52264       2.841136  0.4015427      2.150045  
1 1 1 10  27 10 o 79.44357 1.208718  62.62810       1.757538  65.36497       3.248750  61.49569       2.089746  2.276268       2.417437  
1 1 1 10  27 11 f 89.89941 1.541400  81.45250       2.771209  82.53549       3.948116  80.40078       3.890678  1.176750       3.082800  
1 1 1 10  27 12 o 39.44791 0.9848109 15.62995       0.6552289 15.64400       0.7476517 15.58342       1.360481  0.1478310      1.969622  
1 1 1 10  27 13 o 92.33366 1.066426  85.37949       1.965781  89.21436       2.887663  82.06744       2.683608  3.842514       2.132851  
1 1 1 10  27 14 o 55.26068 0.7721232 30.53956       0.8524184 32.09938       1.241022  29.14638       1.172866  2.664970       1.544246  
1 1 1 10  27 15 o 68.54838 0.8635194 46.88858       1.180376  50.17518       1.753531  44.16544       1.596154  4.365265       1.727039  
1 1 1 10  27 16 o 44.56697 0.7110213 19.88107       0.6333638 20.88177       0.9106539 18.94345       0.8814816 2.171795       1.422043  
1 1 1 10  27 17 o 29.75515 0.6766455 8.874019       0.4023434 9.297604       0.5694306 8.451714       0.5685692 1.421337       1.353291  
1 1 1 10  27 18 o 99.51868 1.136785  99.31496       2.258224  95.82308       3.079943  103.3745       3.320872  -3.754402      2.273571  
1 1 1 10  27 19 f 32.57658 0.6845349 10.63174       0.4458581 10.58702       0.6222482 10.67892       0.6391695 -0.1393471     1.369070  
1 1 1 10  27 20 o 41.00993 0.6990137 16.68127       0.5702004 15.20021       0.7597633 18.59126       0.8627982 -4.123604      1.398027  
1 1 1 10  27 21 o 55.24702 0.7770246 30.59230       0.8580831 30.21729       1.190726  30.99746       1.237660  -0.7002182     1.554049  
1 1 1 10  27 22 o 46.35313 0.7314935 21.50038       0.6774186 22.87341       0.9813404 20.25055       0.9362769 2.823555       1.462987  
1 1 1 10  27 23 o 41.80537 0.7162628 17.46397       0.5977944 16.56192       0.8161168 18.50825       0.8781000 -2.320019      1.432526  
1 1 1 10  27 24 o 59.13852 0.8602555 35.18139       1.012810  36.00609       1.377552  34.21110       1.494210  1.535313       1.720511  
1 1 1 10  27 25 o 38.24500 0.7754056 14.75893       0.5874704 15.40085       0.7890303 13.96042       0.8800138 1.895908       1.550811  
1 1 1 10  27 26 o 20.62684 0.8433817 4.267044       0.3458628 4.923561       0.5000211 3.664796       0.4789095 3.047874       1.686763  
1 1 1 10  27 27 o 29.42557 0.8125846 8.582469       0.4748431 7.368341       0.6350302 10.12227       0.7151448 -4.666531      1.625169  
1 1 1 10  27 28 o 63.39336 1.557194  0.000000       0.000000  ?              ?         40.47478       1.974316  ?              ?         
1 1 1 10  27 29 o 48.80125 1.914088  24.09151       1.868198  24.09151       1.868198  ?              ?         ?              ?         
1 1 1 10  27 30 o 25.87727 0.8310713 6.704459       0.4288101 6.005671       0.5902652 7.485400       0.6239979 -2.852938      1.662143  
1 1 1 10  27 31 o 10.47989 1.357744  1.117391       0.2774096 1.326164       0.4159147 0.9500837      0.3723273 1.948761       2.715489  
1 1 1 10  27 32 o 27.49207 0.8216679 7.588403       0.4515412 7.247454       0.6299995 7.948569       0.6475118 -1.271549      1.643336  
1 1 1 10  27 33 f 76.26762 1.259011  58.68604       1.917714  61.08735       2.804605  56.57745       2.628104  2.901833       2.518021  
1 1 1 10  27 34 o 38.52073 0.8576048 14.87503       0.6597843 14.10270       0.9048494 15.75185       0.9641201 -2.127861      1.715210  
1 1 1 10  28 0  o 54.49009 0.7550488 29.74550       0.8228469 29.90553       1.164482  29.58590       1.162882  0.2931595      1.510098  
1 1 1 10  28 1  o 30.13065 0.6787515 9.049328       0.4073979 10.27145       0.5970237 7.984352       0.5573187 3.792252       1.357503  
1 1 1 10  28 2  o 81.94269 0.9696311 67.30231       1.588377  68.95997       2.288465  65.76143       2.206390  1.942543       1.939262  
1 1 1 10  28 3  o 59.44493 0.7890658 35.40156       0.9378770 35.08173       1.309203  35.73873       1.344207  -0.5493851     1.578132  
1 1 1 10  28 4  o 104.3568 1.176690  109.2047       2.452573  113.1550       3.583571  105.7240       3.363776  3.529793       2.353380  
1 1 1 10  28 5  f 43.04550 0.7065669 18.41257       0.6052292 17.15168       0.8078951 20.02528       0.9136806 -3.328865      1.413134  
1 1 1 10  28 6  o 40.22046 2.457078  16.34632       1.976496  16.34632       1.976496  ?              ?         ?              ?         
1 1 1 10  28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  28 8  o 37.03306 1.150477  13.74745       0.8521138 13.74745       0.8521138 ?              ?         ?              ?         
1 1 1 10  28 9  o 88.72326 1.235839  79.40878       2.111119  78.25300       3.481035  80.08117       2.655122  -1.163040      2.471679  
1 1 1 10  28 10 o 24.90085 0.6933877 6.211911       0.3452991 6.204083       0.4907976 6.219581       0.4858926 -0.3157234E-01 1.386775  
1 1 1 10  28 11 o 29.89938 0.6716169 8.950157       0.4014639 9.304196       0.5747541 8.612853       0.5610069 1.154865       1.343234  
1 1 1 10  28 12 o 33.70748 0.6780962 11.31513       0.4554853 12.74416       0.6714564 10.09700       0.6199313 3.921900       1.356192  
1 1 1 10  28 13 o 41.47498 0.6944017 17.19724       0.5753446 18.31826       0.8349649 16.18376       0.7939071 2.569263       1.388803  
1 1 1 10  28 14 f 20.27422 0.7447399 4.112127       0.3016470 4.386976       0.4364946 3.860875       0.4173366 1.295408       1.489480  
1 1 1 10  28 15 o 79.86874 0.9635285 63.93486       1.537286  62.09638       2.112686  66.00362       2.241092  -2.427956      1.927057  
1 1 1 10  28 16 o 54.91632 0.7781395 30.21948       0.8544118 31.20114       1.222695  29.28265       1.194441  1.743492       1.556279  
1 1 1 10  28 17 o 42.00764 0.7010944 17.54641       0.5864416 16.23730       0.7856972 19.19312       0.8812025 -3.507854      1.402189  
1 1 1 10  28 18 o 47.01474 0.7319579 22.15526       0.6881652 22.66805       0.9796470 21.65572       0.9669034 1.075073       1.463916  
1 1 1 10  28 19 o 38.19979 0.7015067 14.49226       0.5328985 13.41291       0.7088906 15.89479       0.8080781 -3.236481      1.403013  
1 1 1 10  28 20 o 31.44221 0.7079712 9.888158       0.4444598 9.540425       0.6076340 10.28829       0.6518108 -1.183764      1.415942  
1 1 1 10  28 21 o 68.02776 0.8805301 46.35944       1.196593  48.48957       1.744862  44.46822       1.644105  2.939995       1.761060  
1 1 1 10  28 22 o 37.30740 0.7399915 13.98996       0.5493426 14.31248       0.7453954 13.60653       0.8127413 0.9551048      1.479983  
1 1 1 10  28 23 o 36.81794 0.7966728 13.57833       0.5847073 13.32655       0.7921083 13.87979       0.8667220 -0.7400513     1.593346  
1 1 1 10  28 24 o 52.94027 0.9668667 28.09830       1.022203  29.58523       1.496208  26.79676       1.399827  2.615112       1.933733  
1 1 1 10  28 25 o 13.98402 1.447782  0.000000       0.000000  ?              ?         1.967240       0.4049164 ?              ?         
1 1 1 10  28 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  28 27 o 21.53142 0.8571206 4.657249       0.3690971 4.636096       0.5206570 4.678620       0.5233173 -0.9824562E-01 1.714241  
1 1 1 10  28 28 o 21.73416 0.8721566 4.721914       0.3764263 5.572807       0.5527962 3.986233       0.5140115 3.642401       1.744313  
1 1 1 10  28 29 o 29.33844 0.8214954 8.646033       0.4820123 8.658519       0.6846479 8.633763       0.6787273 0.4104233E-01  1.642991  
1 1 1 10  28 30 o 33.46271 0.8273842 11.18497       0.5520758 10.27443       0.7480461 12.27421       0.8181632 -2.973465      1.654768  
1 1 1 10  28 31 o 48.34477 0.9313689 23.51212       0.9004938 23.48011       1.266952  23.54479       1.280132  -0.6389999E-01 1.862738  
1 1 1 10  28 32 o 9.941437 1.992611  0.000000       0.000000  ?              ?         1.036726       0.3822141 ?              ?         
1 1 1 10  29 0  o 66.95903 1.081358  45.70313       1.362189  43.00174       2.330951  47.10416       1.678666  -3.154724      2.162716  
1 1 1 10  29 1  o 64.64658 1.266115  42.04570       1.636923  42.23243       2.307004  41.85639       2.322997  0.2935410      2.532230  
1 1 1 10  29 2  o 72.44514 1.349719  52.62434       1.950924  56.08343       2.883705  49.70491       2.649230  4.359840       2.699438  
1 1 1 10  29 3  o 55.63697 1.015833  31.27095       1.022493  31.53815       1.213725  30.61772       1.897768  0.9184685      2.031666  
1 1 1 10  29 4  o 13.45119 1.034355  1.899567       0.2629292 2.531424       0.3651926 1.219529       0.3788602 4.878316       2.068710  
1 1 1 10  29 5  o 52.44867 0.7494553 27.56086       0.7859302 27.28427       1.096165  27.85347       1.127441  -0.5394363     1.498911  
1 1 1 10  29 6  o 41.57729 0.7060363 17.14271       0.5840669 19.51180       0.8775812 15.25891       0.7825532 5.105244       1.412073  
1 1 1 10  29 7  o 61.93655 0.8169221 38.22717       1.008343  41.26809       1.505761  35.75478       1.357726  4.433971       1.633844  
1 1 1 10  29 8  o 47.21891 0.7199489 22.29638       0.6790378 21.45778       0.9319530 23.24540       0.9914115 -1.886833      1.439898  
1 1 1 10  29 9  o 44.16313 0.7103257 19.45653       0.6257731 18.35767       0.8483788 20.76781       0.9267602 -2.720612      1.420651  
1 1 1 10  29 10 o 45.44410 0.7571835 20.68417       0.6844563 20.54529       0.9197891 20.85651       1.024608  -0.3308411     1.514367  
1 1 1 10  29 11 o 21.61962 0.8108727 4.707727       0.3475415 5.468193       0.4944936 3.965416       0.4885559 3.474791       1.621745  
1 1 1 10  29 12 o 49.87363 0.9249550 24.96184       0.9225755 25.22174       1.312139  24.70775       1.297423  0.5132523      1.849910  
1 1 1 10  29 13 o 58.61858 1.022540  34.20564       1.191308  31.85808       1.580860  37.29081       1.812280  -4.596851      2.045079  
1 1 1 10  29 14 o 51.34521 0.9013295 26.48763       0.9230718 26.11473       1.350908  26.81424       1.264239  -0.6940804     1.802659  
1 1 1 10  29 15 o 87.77789 1.044873  77.42384       1.833767  78.88291       2.633703  76.05093       2.554774  1.598907       2.089747  
1 1 1 10  29 16 o 29.07617 0.6960889 8.468112       0.4045944 8.842882       0.5805382 8.114169       0.5641784 1.251106       1.392178  
1 1 1 10  29 17 o 47.70335 0.7375549 22.81801       0.7036123 23.22637       0.9970719 22.41293       0.9930562 0.8520851      1.475110  
1 1 1 10  29 18 o 17.33644 0.8886071 2.948735       0.2951459 1.920599       0.3880625 4.359573       0.4545850 -7.024087      1.777214  
1 1 1 10  29 19 f 30.58750 0.7249632 9.341019       0.4417352 8.957587       0.5941162 9.815025       0.6605709 -1.392807      1.449926  
1 1 1 10  29 20 o 62.11127 1.008290  38.81026       1.242806  38.95205       1.659370  38.62911       1.875614  0.3016205      2.016580  
1 1 1 10  29 21 o 45.12075 0.8944728 20.43496       0.8064857 20.10296       1.113940  20.80069       1.169147  -0.7633667     1.788946  
1 1 1 10  29 22 o 28.90236 1.184333  0.000000       0.000000  ?              ?         8.386889       0.6846005 ?              ?         
1 1 1 10  29 23 o 49.33886 1.893394  24.61162       1.868358  24.61162       1.868358  ?              ?         ?              ?         
1 1 1 10  29 24 o 32.07279 0.8154804 10.32910       0.5230588 10.28150       0.7347536 10.37802       0.7447820 -0.1486568     1.630961  
1 1 1 10  29 25 o 24.53624 0.8399342 5.986132       0.4097787 6.956020       0.6127256 5.201306       0.5511779 3.564316       1.679868  
1 1 1 10  29 26 o 34.98774 0.8326116 12.29657       0.5826178 12.24545       0.8216347 12.34828       0.8262770 -0.1460571     1.665223  
1 1 1 10  29 27 o 33.41350 0.8303985 11.06740       0.5510502 12.96563       0.8339681 9.596380       0.7341465 5.021509       1.660797  
1 1 1 10  29 28 o 26.65618 0.8219684 7.123860       0.4375997 7.667124       0.6344176 6.630802       0.6043925 1.937681       1.643937  
1 1 1 10  29 29 o 13.69878 1.099013  1.917973       0.2960196 1.538766       0.4231256 2.281499       0.4142844 -2.713283      2.198026  
1 1 1 10  29 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  30 0  o 36.35038 0.6895168 13.13956       0.4991449 12.17890       0.6692002 14.34420       0.7493796 -2.970325      1.379034  
1 1 1 10  30 1  o 45.10035 0.7128727 20.37764       0.6428709 20.14069       0.8977970 20.62697       0.9209588 -0.5366974     1.425745  
1 1 1 10  30 2  o 74.28239 0.9121853 55.31885       1.354105  54.19600       1.870984  56.55394       1.962263  -1.574974      1.824371  
1 1 1 10  30 3  o 28.56115 0.7028577 8.052236       0.3984035 6.952973       0.5289183 9.493878       0.6057127 -4.440283      1.405715  
1 1 1 10  30 4  o 44.71930 0.7151892 20.04367       0.6395171 20.20579       0.8973475 19.87634       0.9116494 0.3698616      1.430378  
1 1 1 10  30 5  o 14.11028 0.9623119 2.000098       0.2698333 2.305710       0.3879177 1.713609       0.3755849 2.096365       1.924624  
1 1 1 10  30 6  o 24.83834 0.7143852 6.181900       0.3536570 6.890030       0.5076337 5.514060       0.4929812 2.768265       1.428770  
1 1 1 10  30 7  o 48.34373 0.7379822 23.41072       0.7131698 22.92933       0.9894993 23.93112       1.028797  -1.031567      1.475964  
1 1 1 10  30 8  o 68.76065 0.8722990 47.28740       1.196747  45.27912       1.625809  49.66240       1.768034  -3.167213      1.744598  
1 1 1 10  30 9  o 63.31299 0.8333306 40.16946       1.054562  41.69103       1.523814  38.77089       1.460925  2.297306       1.666661  
1 1 1 10  30 10 o 46.15349 0.7261294 21.26186       0.6687284 23.22836       0.9822767 19.56306       0.9129714 3.962059       1.452259  
1 1 1 10  30 11 o 60.94889 0.8138224 37.23432       0.9912830 36.40587       1.370192  38.14412       1.435886  -1.416603      1.627645  
1 1 1 10  30 12 o 21.02357 0.7536805 4.420273       0.3158648 4.952113       0.4588993 3.941452       0.4354253 2.400526       1.507361  
1 1 1 10  30 13 o 11.27045 1.082759  1.273755       0.2436691 1.350084       0.3571042 1.207254       0.3333237 0.6290998      2.165519  
1 1 1 10  30 14 o 97.54946 1.128077  95.69559       2.199746  98.01727       3.173337  93.54801       3.052031  2.266373       2.256155  
1 1 1 10  30 15 o 46.93408 0.7879040 22.08966       0.7341937 22.02340       0.9802040 22.17434       1.108140  -0.1424026     1.575808  
1 1 1 10  30 16 o 57.45813 0.9178268 33.16423       1.029683  33.16594       1.320463  33.16158       1.644752  0.5998611E-01  1.835654  
1 1 1 10  30 17 f 69.76527 1.165037  48.88379       1.621683  46.90918       2.203048  51.21920       2.395881  -3.044655      2.330074  
1 1 1 10  30 18 o 69.39696 1.164593  48.48323       1.615274  49.69630       2.337422  47.37442       2.234722  1.649010       2.329186  
1 1 1 10  30 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  30 20 o 64.49094 1.554684  41.90605       2.005260  41.90605       2.005260  ?              ?         ?              ?         
1 1 1 10  30 21 o 4.867649 1.466697  -0.1756349E-01 0.2564457 -0.1722583     0.3819152 0.1094537      0.3460671 -0.6726222     2.933393  
1 1 1 10  30 22 o 22.86051 0.8548356 5.246313       0.3898571 4.753214       0.5428860 5.771372       0.5602040 -2.223610      1.709671  
1 1 1 10  30 23 o 30.99465 0.8243769 9.618760       0.5101656 10.38770       0.7444569 8.937918       0.7005129 2.330425       1.648754  
1 1 1 10  30 24 o 25.42506 0.8307244 6.484346       0.4220235 6.118609       0.5846040 6.882368       0.6098596 -1.496904      1.661449  
1 1 1 10  30 25 o 20.32155 0.8868326 4.149251       0.3602354 4.346108       0.5173379 3.963959       0.5019118 0.9368038      1.773665  
1 1 1 10  30 26 f 29.72751 0.8151432 8.812904       0.4828649 7.997222       0.6519136 9.804305       0.7187109 -3.026123      1.630286  
1 1 1 10  30 27 o 31.35210 0.8269439 9.878155       0.5184920 9.799492       0.7356389 9.955807       0.7309010 -0.2502766     1.653888  
1 1 1 10  31 0  o 37.32951 0.7034453 13.94567       0.5246163 13.50165       0.7217042 14.44317       0.7639346 -1.256001      1.406891  
1 1 1 10  31 1  f 72.72482 0.9057477 53.10177       1.317365  53.12957       1.855951  53.07354       1.870202  0.4075623E-01  1.811495  
1 1 1 10  31 2  o 21.82368 0.7661104 4.794414       0.3329582 5.240512       0.4671763 4.333907       0.4746608 2.078110       1.532221  
1 1 1 10  31 3  f 26.04107 0.7163404 6.789886       0.3728083 6.575096       0.5152255 7.025930       0.5401161 -0.8624935     1.432681  
1 1 1 10  31 4  o 46.98189 0.7351369 21.94996       0.6872393 20.40200       0.9170093 23.93337       1.038005  -3.742561      1.470274  
1 1 1 10  31 5  o 54.19840 0.7737381 29.37741       0.8374978 31.31359       1.222949  27.66747       1.149283  3.353642       1.547476  
1 1 1 10  31 6  o 68.91132 0.8761753 47.52756       1.204875  45.66486       1.639050  49.71757       1.777228  -2.919174      1.752351  
1 1 1 10  31 7  o 48.56626 0.7404731 23.65360       0.7191241 23.78658       1.009644  23.51669       1.024509  0.2798004      1.480946  
1 1 1 10  31 8  o 44.82245 0.7267005 20.13014       0.6510700 19.76553       0.9025016 20.52580       0.9401562 -0.8432312     1.453401  
1 1 1 10  31 9  o 17.42168 0.8708647 3.054017       0.2945376 4.095191       0.4323702 2.152500       0.4023286 5.570915       1.741729  
1 1 1 10  31 10 o 54.49265 0.7770540 29.76884       0.8464509 29.21801       1.174859  30.36336       1.220574  -1.044376      1.554108  
1 1 1 10  31 11 o 20.47445 0.7849036 4.184255       0.3181557 5.079571       0.4678943 3.414287       0.4339058 4.061716       1.569807  
1 1 1 10  31 12 o 9.175961 1.380466  0.8881254      0.2457787 1.003636       0.3428248 0.7659706      0.3525463 1.288017       2.760931  
1 1 1 10  31 13 o 15.49171 0.9519528 2.357839       0.2838349 1.575712       0.3736583 3.424751       0.4364155 -5.956296      1.903906  
1 1 1 10  31 14 o 57.12826 0.9183800 32.32473       1.003494  31.24866       1.239097  34.37560       1.710621  -2.650444      1.836760  
1 1 1 10  31 15 f 15.89489 4.149829  2.751427       1.333311  2.751427       1.333311  ?              ?         ?              ?         
1 1 1 10  31 16 o 33.53391 1.154694  11.29215       0.7744281 11.29215       0.7744281 ?              ?         ?              ?         
1 1 1 10  31 17 o 35.06126 0.8303810 12.33412       0.5819881 12.84684       0.8376652 11.85567       0.8091844 1.408215       1.660762  
1 1 1 10  31 18 o 55.57342 1.004324  31.03717       1.115491  32.23136       1.614556  29.94654       1.542964  2.039814       2.008647  
1 1 1 10  31 19 o 42.73787 0.8785979 18.35437       0.7509632 18.21921       1.056782  18.49225       1.067341  -0.3173332     1.757196  
1 1 1 10  31 20 o 27.03346 0.8169686 7.339888       0.4416403 7.313971       0.6186312 7.366826       0.6306910 -0.9545135E-01 1.633937  
1 1 1 10  31 21 o 18.98278 0.9175425 3.617835       0.3478581 3.899494       0.5030325 3.359708       0.4815608 1.416925       1.835085  
1 1 1 10  31 22 f 39.58880 0.8551261 15.71888       0.6763068 16.63578       0.9836335 14.89680       0.9313881 2.185074       1.710252  
1 1 1 10  31 23 o 14.98915 1.036480  2.260446       0.3076808 2.708941       0.4472453 1.857469       0.4239420 2.834457       2.072960  
1 1 1 10  31 24 o 35.69116 0.8319044 12.79624       0.5937138 13.11276       0.8492298 12.49363       0.8303642 0.8633957      1.663809  
1 1 1 10  32 0  o 21.38273 0.7920073 4.566387       0.3379324 4.218349       0.4608138 4.971327       0.4970588 -1.755440      1.584015  
1 1 1 10  32 1  o 36.06380 0.7080700 12.97645       0.5091292 14.49195       0.7474804 11.66487       0.6953747 3.912731       1.416140  
1 1 1 10  32 2  o 26.81131 0.7389672 7.197147       0.3958906 6.923948       0.5458338 7.500382       0.5750563 -1.070934      1.477934  
1 1 1 10  32 3  o 82.96996 0.9976242 69.20829       1.655449  69.50148       2.343103  68.91607       2.339219  0.3520508      1.995248  
1 1 1 10  32 4  o 67.65210 0.8763958 45.94668       1.185467  45.43174       1.653502  46.49130       1.700491  -0.7751541     1.752792  
1 1 1 10  32 5  o 76.53770 0.9418350 58.83876       1.441078  57.93605       2.002742  59.80794       2.075171  -1.209488      1.883670  
1 1 1 10  32 6  o 69.69266 0.8892733 48.72702       1.238671  50.39845       1.792666  47.19996       1.713504  2.280754       1.778547  
1 1 1 10  32 7  o 48.32529 0.7497131 23.40889       0.7242290 22.87586       1.004711  23.98541       1.044900  -1.141994      1.499426  
1 1 1 10  32 8  o 47.38955 0.7482039 22.33439       0.7060503 24.89732       1.058358  20.27904       0.9477805 4.856094       1.496408  
1 1 1 10  32 9  o 50.13999 0.7625026 25.15457       0.7630997 24.17819       1.039927  26.29369       1.123256  -2.096584      1.525005  
1 1 1 10  32 10 o 24.86051 1.236502  6.104469       0.4696632 6.446706       1.127691  6.032647       0.5165994 0.6802101      2.473004  
1 1 1 10  32 11 f 12.92554 3.628423  1.791244       0.9761398 1.791244       0.9761398 ?              ?         ?              ?         
1 1 1 10  32 12 o 56.43017 1.127542  31.97136       1.272548  31.97136       1.272548  ?              ?         ?              ?         
1 1 1 10  32 13 o 82.24197 1.234625  68.10656       1.993593  67.37878       2.578213  69.18877       3.143944  -0.9470291     2.469249  
1 1 1 10  32 14 o 48.92600 0.9327506 23.98472       0.9109376 25.43790       1.340312  22.73722       1.241837  2.739532       1.865501  
1 1 1 10  32 15 o 56.29478 1.009078  31.89674       1.136073  32.20562       1.615130  31.59426       1.598301  0.5391235      2.018157  
1 1 1 10  32 16 f 22.61636 0.8507013 5.105294       0.3832313 5.790971       0.5665545 4.526934       0.5203326 2.785299       1.701403  
1 1 1 10  32 17 o 50.35544 0.9462951 25.40327       0.9507295 27.15594       1.405246  23.92385       1.291068  3.182774       1.892590  
1 1 1 10  32 18 o 30.47817 0.8146908 9.321896       0.4962654 9.641911       0.7182620 9.029584       0.6864675 0.9979897      1.629382  
1 1 1 10  32 19 o 33.73853 0.8207184 11.41701       0.5533094 11.91928       0.8030978 10.96317       0.7634056 1.408924       1.641437  
1 1 1 10  32 20 o 9.638377 1.470965  0.9683596      0.2754892 1.155187       0.4085920 0.8126357      0.3730328 1.733297       2.941929  
1 1 1 10  32 21 o 15.39873 1.414628  0.000000       0.000000  ?              ?         2.388431       0.4356694 ?              ?         
1 1 1 10  33 0  o 24.37239 0.7809577 5.923185       0.3763324 7.285220       0.5559160 4.770972       0.5113069 5.150574       1.561915  
1 1 1 10  33 1  o 25.47935 0.7596503 6.512348       0.3870206 6.334661       0.5414515 6.697966       0.5534037 -0.7109604     1.519301  
1 1 1 10  33 2  o 51.70855 0.7706333 26.79836       0.7963915 27.99472       1.152135  25.70373       1.102068  2.206768       1.541267  
1 1 1 10  33 3  o 25.58910 0.7619723 6.573355       0.3898574 6.640879       0.5467554 6.503520       0.5560452 0.2699757      1.523945  
1 1 1 10  33 4  o 35.57968 0.7287998 12.65699       0.5176957 11.86355       0.7080533 13.56836       0.7588475 -2.387482      1.457600  
1 1 1 10  33 5  o 63.87187 1.119622  41.30582       1.308238  40.64579       2.384299  41.59011       1.564828  -0.9383125     2.239245  
1 1 1 10  33 6  o 44.62099 1.764834  19.80387       1.384420  19.27799       1.602689  21.34977       2.747863  -1.886074      3.529667  
1 1 1 10  33 7  o 60.14500 1.626374  35.86815       1.293315  35.57041       1.380719  37.99900       3.693707  -1.257748      3.252748  
1 1 1 10  33 8  f 53.88856 0.8997328 28.62793       0.9275075 27.35579       1.142885  31.08218       1.587427  -3.368690      1.799466  
1 1 1 10  33 9  o 21.98537 0.8366497 4.880046       0.3659856 5.258706       0.5069143 4.467746       0.5289523 1.802998       1.673299  
1 1 1 10  33 10 o 10.24685 1.444343  1.102183       0.2854866 1.062625       0.4092574 1.139677       0.3984379 -0.3912554     2.888686  
1 1 1 10  33 11 o 75.74841 1.249370  57.94015       1.891996  59.31100       2.723356  56.66126       2.630436  1.721527       2.498741  
1 1 1 10  33 12 o 51.34970 0.9627630 26.45319       0.9861456 25.44691       1.337655  27.65121       1.459544  -2.117584      1.925526  
1 1 1 10  33 13 o 53.13712 0.9779186 28.42671       1.039148  28.34142       1.457227  28.51495       1.482245  -0.1571121     1.955837  
1 1 1 10  33 14 o 55.01287 0.9922115 30.47168       1.091537  30.31467       1.529371  30.63470       1.558372  -0.2836876     1.984423  
1 1 1 10  33 15 o 29.33649 0.8199724 8.545987       0.4780684 7.420671       0.6401304 9.965226       0.7188835 -4.321104      1.639945  
1 1 1 10  33 16 o 21.66237 0.8627884 4.687756       0.3723256 5.310911       0.5493350 4.158245       0.5063798 2.651371       1.725577  
1 1 1 10  33 17 o 54.85597 1.437288  0.000000       0.000000  ?              ?         30.31771       1.576876  ?              ?         
1 1 1 10  34 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 10  34 1  o 25.54050 1.297374  6.559599       0.6627114 6.559599       0.6627114 ?              ?         ?              ?         
1 1 1 10  34 2  o 12.61749 1.359588  1.667766       0.3236818 2.148738       0.4589953 1.191958       0.4565252 3.961500       2.719177  
1 1 1 10  34 3  o 34.22927 0.8620941 11.61606       0.5861589 10.27420       0.7778407 13.37942       0.8916789 -4.512320      1.724188  
1 1 1 10  34 4  f 66.12914 1.135368  44.10866       1.501394  44.82431       2.145978  43.42249       2.101310  1.047501       2.270735  
1 1 1 10  34 5  o 88.47639 1.426827  79.07100       2.516455  75.54922       3.396535  83.35660       3.746800  -4.287590      2.853653  
1 1 1 10  34 6  o 40.16498 0.8759003 16.09378       0.7007506 14.77077       0.9413231 17.73836       1.049501  -3.670341      1.751801  
1 1 1 10  34 7  o 61.39207 1.075317  37.90474       1.317973  36.48431       1.799864  39.54695       1.935284  -2.457691      2.150635  
1 1 1 10  34 8  o 28.44903 0.8395759 8.066216       0.4755320 7.143607       0.6420497 9.187295       0.7077477 -3.578197      1.679152  
1 1 1 10  34 9  o 42.70238 0.8854778 18.32486       0.7559497 18.03392       1.051673  18.63589       1.087368  -0.6971321     1.770956  
1 1 1 10  34 10 o 18.17072 0.9540774 3.308781       0.3449620 3.810446       0.5043986 2.867946       0.4728301 2.586094       1.908155  
1 1 1 10  34 11 o 16.06483 1.007539  2.599709       0.3236502 2.662126       0.4578512 2.537369       0.4575699 0.3882236      2.015078  
1 1 1 10  34 12 o 76.39260 2.643679  0.000000       0.000000  ?              ?         59.84803       4.039151  ?              ?         
1 1 1 10  35 0  o 40.45560 0.9111610 16.41069       0.7360769 17.59896       1.075182  15.36249       1.009829  2.749348       1.822322  
1 1 1 10  35 1  o 72.91188 1.227282  53.65912       1.788102  52.18325       2.466733  55.29335       2.595709  -2.093246      2.454564  
1 1 1 10  35 2  o 23.68148 1.301057  0.000000       0.000000  ?              ?         5.642000       0.6162193 ?              ?         
1 1 1 10  35 3  o 35.21340 1.274877  0.000000       0.000000  ?              ?         12.47267       0.8978549 ?              ?         
1 1 1 10  35 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  0  0  o 269.7299 3.984733  727.9737       21.45159  711.7848       29.52884  746.0649       31.21564  -0.000000      0.000000  
1 1 1 11  0  1  o 143.2388 2.152555  205.3283       6.156454  201.5118       8.526455  209.4851       8.898540  -0.000000      0.000000  
1 1 1 11  0  2  o 294.4708 4.338820  868.4132       25.51978  856.6444       35.54319  880.9357       36.66372  -0.000000      0.000000  
1 1 1 11  0  3  f 131.9479 1.992516  174.3495       5.252610  172.9793       7.387173  175.7505       7.470146  -0.000000      0.000000  
1 1 1 11  0  4  o 159.3851 2.381445  254.2833       7.580114  250.1893       10.52625  258.6930       10.92464  -0.000000      0.000000  
1 1 1 11  0  5  o 44.14524 1.217642  19.27298       1.062388  17.25709       1.396203  22.04528       1.637329  -0.000000      0.000000  
1 1 1 11  0  6  o 282.7303 4.169485  800.8636       23.55221  796.2548       33.07123  805.6067       33.54963  -0.000000      0.000000  
1 1 1 11  0  7  o 196.7124 2.918716  387.5922       11.47149  386.4011       16.16615  388.8002       16.28073  -0.000000      0.000000  
1 1 1 11  0  8  o 161.2015 2.412743  260.2702       7.770898  260.8257       11.02140  259.7211       10.95829  -0.000000      0.000000  
1 1 1 11  0  9  o 167.9809 2.505742  282.5092       8.406695  286.9202       12.09275  278.3835       11.69495  -0.000000      0.000000  
1 1 1 11  0  10 o 559.6296 8.242869  3143.567       92.08626  3070.333       127.0222  3224.695       133.6930  -0.000000      0.000000  
1 1 1 11  0  11 o 358.0546 5.270754  1285.138       37.69167  1265.255       52.39281  1306.467       54.26458  -0.000000      0.000000  
1 1 1 11  0  12 o 298.0059 4.407098  885.3254       26.12234  941.3823       39.25526  840.7738       34.99570  -0.000000      0.000000  
1 1 1 11  0  13 o 277.0273 4.088926  769.3331       22.63197  765.5028       31.83431  773.2473       32.18140  -0.000000      0.000000  
1 1 1 11  0  14 o 102.7507 1.594003  105.6826       3.270696  103.6066       4.542740  107.9170       4.712874  -0.000000      0.000000  
1 1 1 11  0  15 o 117.1408 1.787263  137.4426       4.182642  138.1454       5.953319  136.7575       5.877703  -0.000000      0.000000  
1 1 1 11  0  16 o 33.51797 0.7783637 11.12344       0.5167670 12.55474       0.7909896 10.05761       0.6825752 -0.000000      0.000000  
1 1 1 11  0  17 o 172.0885 2.569039  294.8015       8.783531  314.5354       13.29214  279.5049       11.70270  -0.000000      0.000000  
1 1 1 11  0  18 o 101.6322 1.572816  103.1712       3.186602  99.24252       4.336830  107.7812       4.697863  -0.000000      0.000000  
1 1 1 11  0  19 o 104.5407 1.614807  108.4687       3.347324  117.4215       5.124939  101.8080       4.420465  -0.000000      0.000000  
1 1 1 11  0  20 o 58.73030 1.022069  34.54330       1.198435  35.10375       1.724284  34.01956       1.666861  -0.000000      0.000000  
1 1 1 11  0  21 o 207.3974 3.082312  430.3082       12.74944  416.8005       17.41265  445.9188       18.71900  -0.000000      0.000000  
1 1 1 11  0  22 o 72.62186 1.450396  53.74015       2.061689  47.58437       3.129489  58.46049       2.740430  -0.000000      0.000000  
1 1 1 11  0  23 o 83.14249 1.332108  69.25068       2.212549  68.91727       3.121768  69.58720       3.136316  -0.000000      0.000000  
1 1 1 11  0  24 o 141.1715 2.132976  199.5501       6.012177  195.4469       8.321658  204.0303       8.695674  -0.000000      0.000000  
1 1 1 11  0  25 o 157.1016 2.363688  245.3838       7.368948  231.2232       9.763391  264.1281       11.23299  -0.000000      0.000000  
1 1 1 11  0  26 o 51.37181 0.9657472 26.41105       0.9892569 27.17416       1.445891  25.73945       1.356432  -0.000000      0.000000  
1 1 1 11  0  27 o 176.6652 2.643218  312.5826       9.318014  321.8864       13.59580  304.3413       12.79587  -0.000000      0.000000  
1 1 1 11  0  28 o 44.91450 0.9206989 19.92064       0.8176729 22.47741       1.267695  18.09911       1.070006  -0.000000      0.000000  
1 1 1 11  0  29 o 52.20992 0.9758305 27.30394       1.016994  26.43691       1.416183  28.22718       1.461376  -0.000000      0.000000  
1 1 1 11  0  30 o 180.5808 3.310111  330.1393       11.36296  334.6210       14.11682  321.8922       19.14959  -0.000000      0.000000  
1 1 1 11  0  31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  0  32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  0  33 o 16.07009 1.144749  2.683919       0.3547859 2.535088       0.5445045 2.793722       0.4676953 -0.000000      0.000000  
1 1 1 11  0  34 o 100.7810 1.584639  101.8246       3.189175  99.71342       4.432323  104.0908       4.592278  -0.000000      0.000000  
1 1 1 11  0  35 o 16.08333 1.169260  2.558925       0.3584780 3.674277       0.5599328 1.784246       0.4666498 -0.000000      0.000000  
1 1 1 11  0  36 o 63.38427 1.114108  39.93900       1.401262  43.28374       2.133774  37.40276       1.858076  -0.000000      0.000000  
1 1 1 11  0  37 o 22.49834 0.9950016 5.016637       0.4385819 5.837672       0.6898973 4.459772       0.5681708 -0.000000      0.000000  
1 1 1 11  0  38 o 20.02449 1.072531  3.908809       0.4150409 5.169722       0.6707230 3.126406       0.5283431 -0.000000      0.000000  
1 1 1 11  0  39 o 36.74206 0.9231920 13.57829       0.6757300 12.94283       0.9611129 14.19944       0.9502333 -0.000000      0.000000  
1 1 1 11  0  40 o 38.98108 0.9381984 15.28842       0.7283874 14.49986       1.039484  16.04912       1.020956  -0.000000      0.000000  
1 1 1 11  0  41 o 53.80618 1.040939  28.98273       1.115106  30.04359       1.651930  28.09467       1.511417  -0.000000      0.000000  
1 1 1 11  0  42 o 52.69436 2.002878  27.97116       2.104169  27.97116       2.104169  27.97116       2.104169  -0.000000      0.000000  
1 1 1 11  0  43 o 37.02547 0.9720178 13.80469       0.7144380 13.59045       1.056686  13.98509       0.9696510 -0.000000      0.000000  
1 1 1 11  0  44 f 31.12555 0.9882895 9.614156       0.6041158 10.64017       0.9530075 8.924904       0.7811056 -0.000000      0.000000  
1 1 1 11  0  45 o 11.39165 2.130914  1.544675       0.4122458 1.569117       0.6516874 1.528370       0.5322779 -0.000000      0.000000  
1 1 1 11  0  46 o 38.61020 1.001225  15.03570       0.7687970 14.28593       1.109554  15.72806       1.066226  -0.000000      0.000000  
1 1 1 11  0  47 f 26.63146 1.131229  7.346782       0.5836141 6.175910       0.8758590 8.281796       0.7826875 -0.000000      0.000000  
1 1 1 11  0  48 f 74.28255 1.299369  55.26031       1.919576  58.11630       2.876192  52.96643       2.577658  -0.000000      0.000000  
1 1 1 11  0  49 o 62.22624 1.460850  39.28053       1.730060  39.82158       2.155147  38.29998       2.901299  -0.000000      0.000000  
1 1 1 11  0  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  0  51 o 56.37885 1.138484  31.94240       1.279980  29.91647       1.776639  34.12881       1.845663  -0.000000      0.000000  
1 1 1 11  0  52 o 29.35605 1.124568  8.600751       0.6477271 9.491969       1.017840  7.994193       0.8396987 -0.000000      0.000000  
1 1 1 11  0  53 o 26.93511 1.180063  7.275462       0.6229625 7.970566       0.9754239 6.796631       0.8095779 -0.000000      0.000000  
1 1 1 11  0  54 o 36.43786 1.128872  13.23608       0.8065397 14.37802       1.277253  12.47875       1.040153  -0.000000      0.000000  
1 1 1 11  1  0  o 237.4975 3.016579  567.9259       13.66395  552.3177       22.94674  576.5006       17.00803  -5.127060      6.033158  
1 1 1 11  1  1  o 117.0792 1.255050  137.0837       2.938730  136.5120       4.138197  137.6653       4.174016  -0.4924316     2.510100  
1 1 1 11  1  2  o 79.78091 0.8944813 61.91008       1.397904  55.63836       1.773243  72.20680       2.272088  -10.38276      1.788963  
1 1 1 11  1  3  o 256.5203 2.673341  658.2681       13.71410  654.4662       19.24495  662.1906       19.54794  -1.503799      5.346682  
1 1 1 11  1  4  o 400.3912 4.152323  1604.718       33.24659  1590.621       46.56333  1619.380       47.48580  -3.582306      8.304646  
1 1 1 11  1  5  o 255.0750 2.656281  650.4813       13.54257  638.2883       18.75983  663.7502       19.57002  -4.985703      5.312562  
1 1 1 11  1  6  o 229.7903 2.397834  528.2638       11.01998  528.7248       15.59602  527.8041       15.57320  0.2002106      4.795669  
1 1 1 11  1  7  o 386.4651 4.011534  1492.404       30.95050  1447.337       42.28282  1544.423       45.42738  -12.52490      8.023067  
1 1 1 11  1  8  o 199.6051 2.092407  398.5677       8.352969  399.4997       11.85147  397.6479       11.77467  0.4633484      4.184813  
1 1 1 11  1  9  o 487.1348 5.055791  2374.065       49.17300  2455.733       72.10247  2303.052       67.23469  15.58844       10.11158  
1 1 1 11  1  10 o 36.20620 0.5630736 13.08721       0.4073741 12.56755       0.5620052 13.66254       0.5913416 -1.512100      1.126147  
1 1 1 11  1  11 o 426.3426 6.272943  1825.739       53.47836  1806.560       74.76570  1845.830       76.52460  -4.559326      12.54589  
1 1 1 11  1  12 o 467.9094 4.861745  2194.665       45.47020  2153.440       63.01751  2239.438       65.67384  -9.129211      9.723491  
1 1 1 11  1  13 o 168.2288 1.772151  282.8770       5.957948  276.8585       8.234338  289.4897       8.631294  -3.750549      3.544301  
1 1 1 11  1  14 o 167.1964 2.495658  278.9937       8.324758  268.6934       11.30699  291.1863       12.30180  -6.712357      4.991316  
1 1 1 11  1  15 o 130.5515 1.394177  170.4411       3.639205  172.7353       5.221529  168.2741       5.074833  1.707291       2.788353  
1 1 1 11  1  16 o 228.7100 2.391037  521.2814       10.89301  549.5889       16.30217  498.4478       14.64139  11.15111       4.782074  
1 1 1 11  1  17 o 199.3755 2.091649  397.7280       8.337502  391.7584       11.60648  404.0929       11.98462  -3.086929      4.183297  
1 1 1 11  1  18 f 152.8643 1.618213  233.3210       4.938776  225.9901       6.750352  241.7652       7.244798  -5.153549      3.236425  
1 1 1 11  1  19 o 243.5061 2.542365  593.6484       12.37871  586.6727       17.28313  600.9960       17.73802  -2.931870      5.084730  
1 1 1 11  1  20 o 192.3181 2.019183  369.7796       7.758385  360.8880       10.68355  379.7009       11.28519  -4.880478      4.038366  
1 1 1 11  1  21 o 209.4429 2.196518  438.4545       9.187043  452.4149       13.44029  426.2112       12.58657  6.238312       4.393037  
1 1 1 11  1  22 o 9.783875 1.106327  0.9725306      0.2100947 1.128144       0.3024975 0.8275132      0.2920171 1.672038       2.212654  
1 1 1 11  1  23 o 51.30973 0.6802657 25.88943       0.6912220 23.29564       0.9034421 29.55140       1.073470  -6.094830      1.360531  
1 1 1 11  1  24 o 122.3096 1.317266  149.4144       3.217667  154.4583       4.704516  144.9810       4.410624  3.869781       2.634533  
1 1 1 11  1  25 o 163.8313 1.733033  268.5495       5.675575  263.9660       7.876664  273.4991       8.185172  -2.902283      3.466066  
1 1 1 11  1  26 o 149.3189 1.588258  223.1770       4.742580  221.1805       6.645954  225.2487       6.769805  -1.359161      3.176517  
1 1 1 11  1  27 f 27.45347 0.6183504 7.538505       0.3394912 7.419775       0.4795017 7.657841       0.4807270 -0.4335670     1.236701  
1 1 1 11  1  28 o 87.12044 1.063934  76.12990       1.839562  74.44704       2.762407  77.47083       2.465846  -1.742111      2.127868  
1 1 1 11  1  29 o 13.16674 1.373107  1.701779       0.3424782 2.413495       0.5358431 1.210259       0.4453025 4.721444       2.746214  
1 1 1 11  1  30 o 135.7922 2.062680  184.5222       5.588397  192.3420       8.253672  177.9026       7.593865  5.276443       4.125360  
1 1 1 11  1  31 o 21.56134 0.6552589 4.657910       0.2818576 5.046483       0.3991039 4.271268       0.3981118 1.797674       1.310518  
1 1 1 11  1  32 o 63.20539 0.8403883 39.79265       1.057704  45.43305       1.549752  34.87436       1.447152  8.349419       1.680777  
1 1 1 11  1  33 o 44.44427 0.9125141 19.77654       0.8109809 19.96449       1.139840  19.58386       1.154093  0.4287872      1.825028  
1 1 1 11  1  34 o 34.67907 0.8710541 11.86578       0.5982099 14.50116       0.9030588 9.805118       0.7985426 6.766378       1.742108  
1 1 1 11  1  35 o 44.64152 0.6590504 19.92479       0.5881468 20.50248       0.8476727 19.38852       0.8167209 1.246597       1.318101  
1 1 1 11  1  36 o 111.4052 1.222026  124.1357       2.718091  128.8185       3.987724  120.0722       3.714705  3.906616       2.444052  
1 1 1 11  1  37 f 90.16902 1.022678  81.44750       1.843997  82.34687       2.635741  80.58527       2.580740  0.9731064      2.045357  
1 1 1 11  1  38 o 87.64725 1.001929  76.73872       1.752414  73.65749       2.383761  80.36223       2.585030  -3.810715      2.003857  
1 1 1 11  1  39 o 85.08621 0.9787570 72.53894       1.665334  71.71303       2.331125  73.39980       2.379906  -0.9873810     1.957514  
1 1 1 11  1  40 o 45.41854 0.6791344 20.58713       0.6158509 19.53351       0.8415315 21.80211       0.9036748 -2.493721      1.358269  
1 1 1 11  1  41 o 30.79460 0.7554507 9.627871       0.4560458 10.26717       0.6009561 8.759815       0.7002670 2.455004       1.510901  
1 1 1 11  1  42 f 55.60310 0.7523868 30.96889       0.8366796 30.76590       1.178157  31.17544       1.188397  -0.3674545     1.504774  
1 1 1 11  1  43 o 64.84280 0.8195517 42.13645       1.062770  41.77855       1.492538  42.50455       1.513653  -0.5577545     1.639103  
1 1 1 11  1  44 o 48.37099 0.7199451 23.42906       0.6962703 22.90888       0.9699571 23.98206       1.000084  -1.106480      1.439890  
1 1 1 11  1  45 o 6.412193 1.551815  0.3118958      0.2631037 0.6347172      0.3769374 0.5179139E-02  0.3674150 2.868264       3.103630  
1 1 1 11  1  46 f 35.77234 0.6989757 12.77151       0.4990747 11.84937       0.6821058 13.83390       0.7321444 -2.768707      1.397951  
1 1 1 11  1  47 o 17.53403 0.9430515 3.085593       0.3306498 3.016672       0.4626512 3.157551       0.4727307 -0.4002190     1.886103  
1 1 1 11  1  48 o 41.77100 0.9127311 17.48376       0.7074264 17.61915       1.265419  17.42220       0.8532079 0.1707230      1.825462  
1 1 1 11  1  49 o 38.20131 0.9016411 14.66843       0.6794443 14.74442       0.8915755 14.56316       1.049346  0.2627106      1.803282  
1 1 1 11  1  50 o 17.67102 1.022531  3.147252       0.3596908 3.525108       0.5118542 2.778626       0.5055632 2.110897       2.045062  
1 1 1 11  1  51 o 8.295470 2.055785  0.6255131      0.4363233 0.8604443      0.5591424 0.2596951      0.6977255 1.696345       4.111569  
1 1 1 11  1  52 o 10.01509 1.673662  1.059357       0.3305234 1.176427       0.4742607 0.9487959      0.4608875 1.083058       3.347324  
1 1 1 11  1  53 o 49.13367 0.7849405 24.19357       0.7705498 25.42968       1.120279  23.08369       1.061536  2.376255       1.569881  
1 1 1 11  1  54 o 30.21719 0.8042699 9.164037       0.4857993 8.766435       0.6770624 9.585931       0.6974388 -1.352005      1.608540  
1 1 1 11  2  0  o 531.0628 7.807583  2826.678       82.82751  2760.373       113.8844  2901.135       120.6825  -13.14331      15.61517  
1 1 1 11  2  1  o 368.6539 5.413724  1359.089       39.85549  1402.144       58.30870  1321.334       54.60205  10.91779       10.82745  
1 1 1 11  2  2  o 461.6740 6.782984  2126.444       62.35615  2250.993       93.57342  2026.954       83.63154  24.11624       13.56597  
1 1 1 11  2  3  o 436.8932 5.524925  1925.857       46.11940  1866.761       77.06924  1958.826       57.56390  -10.77957      11.04985  
1 1 1 11  2  4  o 87.98665 0.9717671 76.96622       1.702247  72.95454       2.279746  82.02120       2.559078  -5.151642      1.943534  
1 1 1 11  2  5  o 84.18627 0.9368315 70.41210       1.569683  75.45136       2.365476  66.44724       2.098212  5.347092       1.873663  
1 1 1 11  2  6  o 212.4926 2.221481  451.0515       9.429169  439.4687       12.95370  464.1054       13.75177  -5.792252      4.442962  
1 1 1 11  2  7  o 152.4171 1.610286  232.3447       4.908465  233.7778       6.983172  230.9453       6.900798  0.9288025      3.220572  
1 1 1 11  2  8  o 184.5863 1.938705  338.5648       7.117297  361.5516       10.76792  320.7308       9.484542  11.04948       3.877410  
1 1 1 11  2  9  o 114.2844 1.742004  130.4512       3.976878  134.4767       5.798066  126.8749       5.465009  3.323837       3.484009  
1 1 1 11  2  10 o 308.5509 3.207441  952.5526       19.78311  969.5934       28.52583  936.7618       27.45970  5.307068       6.414881  
1 1 1 11  2  11 o 235.7782 2.461713  556.3232       11.60831  556.7901       16.44560  555.8597       16.38780  0.1966553      4.923425  
1 1 1 11  2  12 o 93.13441 1.032299  86.34535       1.916232  82.13161       2.583306  91.50030       2.857284  -5.028305      2.064598  
1 1 1 11  2  13 f 331.7150 3.448291  1102.162       22.87447  1093.533       32.06630  1111.102       32.64010  -2.637848      6.896581  
1 1 1 11  2  14 o 160.1588 1.690737  256.3407       5.410691  263.0065       7.857863  250.3307       7.461277  3.953369       3.381473  
1 1 1 11  2  15 o 87.78654 1.385857  76.61104       2.421865  72.40662       3.241261  81.92545       3.644088  -5.417885      2.771714  
1 1 1 11  2  16 o 48.68547 0.6417358 23.65359       0.6240146 24.66872       0.9120504 22.76016       0.8556291 1.959820       1.283472  
1 1 1 11  2  17 o 64.03375 0.7614138 40.95571       0.9743078 39.76868       1.344680  42.26766       1.413665  -1.950874      1.522828  
1 1 1 11  2  18 o 188.8334 1.983549  356.7352       7.488509  362.3886       10.76515  351.4347       10.42380  2.895126       3.967098  
1 1 1 11  2  19 o 216.8948 2.276009  466.1617       9.786236  437.0408       12.86116  506.2101       15.08236  -15.90460      4.552017  
1 1 1 11  2  20 o 138.2350 1.472732  191.0593       4.069288  187.5154       5.640501  194.9060       5.876431  -2.670151      2.945463  
1 1 1 11  2  21 o 262.4711 2.738631  690.2129       14.37520  685.7689       20.18594  694.7858       20.47639  -1.710297      5.477263  
1 1 1 11  2  22 o 232.6505 2.432685  541.6894       11.31062  554.1043       16.38448  530.3867       15.63322  5.078751       4.865370  
1 1 1 11  2  23 o 98.04959 1.080012  96.14727       2.117464  95.01471       2.958838  97.33621       3.031580  -1.182991      2.160023  
1 1 1 11  2  24 o 149.0406 1.583465  222.1506       4.717050  226.8034       6.817338  217.8771       6.533540  2.989258       3.166931  
1 1 1 11  2  25 o 90.33463 1.009965  81.59045       1.823949  80.13790       2.535821  83.14745       2.625417  -1.664536      2.019931  
1 1 1 11  2  26 o 136.8076 1.801870  186.3439       4.602589  190.4727       8.168881  184.4236       5.571034  2.137802       3.603740  
1 1 1 11  2  27 o 144.0010 2.178109  207.0398       6.252984  198.2703       8.447321  217.6695       9.300184  -6.702881      4.356218  
1 1 1 11  2  28 o 195.8954 2.925474  385.7005       11.46009  381.8709       16.04419  389.6895       16.37491  -1.974548      5.850948  
1 1 1 11  2  29 o 145.9965 1.558833  213.4014       4.549676  217.1369       6.551905  209.9227       6.322644  2.461777       3.117665  
1 1 1 11  2  30 o 133.8257 1.437546  178.9778       3.840070  186.0120       5.647148  172.9275       5.237336  4.870819       2.875092  
1 1 1 11  2  31 f 191.8044 2.024291  368.9475       7.758530  377.9936       11.25823  360.7657       10.70695  4.453308       4.048582  
1 1 1 11  2  32 o 31.79595 0.6089517 10.11160       0.3871936 10.26236       0.5530449 9.966658       0.5422633 0.4647388      1.217903  
1 1 1 11  2  33 f 52.66317 0.7000305 27.46762       0.7328339 30.35025       1.114062  25.26888       0.9729738 4.819962       1.400061  
1 1 1 11  2  34 o 14.11317 0.9868826 2.036034       0.2684551 2.170669       0.3437908 1.825668       0.4297369 1.226301       1.973765  
1 1 1 11  2  35 o 58.44776 1.048018  33.98695       1.220636  37.05581       1.823066  31.49327       1.643365  4.748516       2.096037  
1 1 1 11  2  36 o 24.44946 0.8058734 5.899804       0.3905195 6.611455       0.6037517 5.387893       0.5120617 2.498013       1.611747  
1 1 1 11  2  37 o 53.89420 0.7204137 28.91252       0.7740096 27.11076       1.044482  31.10712       1.152737  -3.702347      1.440827  
1 1 1 11  2  38 o 124.1288 1.350203  154.4790       3.349260  150.9164       4.625615  158.4052       4.855910  -2.994682      2.700406  
1 1 1 11  2  39 f 33.24696 0.6438121 11.05118       0.4278372 10.67402       0.5927966 11.46122       0.6181029 -1.182541      1.287624  
1 1 1 11  2  40 o 38.85541 0.6604990 15.06226       0.5123957 14.13861       0.7009682 16.12212       0.7508774 -2.549469      1.320998  
1 1 1 11  2  41 o 26.17120 0.6954455 6.858507       0.3634748 6.368716       0.5091994 7.367340       0.5190027 -1.907167      1.390891  
1 1 1 11  2  42 o 60.51650 0.7861623 36.52661       0.9488672 38.88712       1.407633  34.56072       1.284593  3.564056       1.572325  
1 1 1 11  2  43 o 13.29957 1.635040  1.847717       0.4065083 1.702772       0.6653477 1.934051       0.5134933 -1.134457      3.270081  
1 1 1 11  2  44 f 65.30919 0.8286347 42.58638       1.079316  40.53641       1.461254  45.04743       1.601079  -3.438309      1.657269  
1 1 1 11  2  45 o 45.17648 0.7085617 20.41767       0.6396856 19.65530       0.8833165 21.25841       0.9276122 -1.769951      1.417123  
1 1 1 11  2  46 f 22.00819 0.8125530 4.867753       0.3567765 4.525006       0.5084034 5.200323       0.5007989 -1.535141      1.625106  
1 1 1 11  2  47 o 35.09537 1.026059  12.28482       0.7151485 13.11668       1.090402  11.65690       0.9473615 2.056095       2.052118  
1 1 1 11  2  48 f 7.099647 1.726579  0.4598077      0.3024899 0.6004810      0.4155787 0.3013008      0.4411350 1.247839       3.453158  
1 1 1 11  2  49 o 17.05650 1.013695  2.926279       0.3453045 3.121006       0.4901226 2.734367       0.4865656 1.132757       2.027391  
1 1 1 11  2  50 o 45.53574 0.7423711 20.79207       0.6759707 20.39269       0.9454921 21.20965       0.9667979 -0.8939133     1.484742  
1 1 1 11  2  51 o 15.51612 1.129925  2.432429       0.3491294 2.699088       0.4948628 2.168169       0.4926319 1.710313       2.259851  
1 1 1 11  2  52 o 27.21997 1.086495  7.479897       0.5682589 7.521671       0.7123033 7.406767       0.9424594 0.2659817      2.172989  
1 1 1 11  2  53 o 24.58068 1.001244  6.186607       0.4809123 5.521980       0.7403681 6.671706       0.6325199 -2.364576      2.002488  
1 1 1 11  2  54 o 6.419120 1.783686  0.2421990      0.3366515 0.1625294      0.4636814 0.3310122      0.4895668 -0.7239299     3.567372  
1 1 1 11  3  0  o 258.5382 2.691606  668.2866       13.90992  656.6926       19.29135  680.8420       20.07526  -4.665894      5.383211  
1 1 1 11  3  1  o 434.9456 4.515869  1879.892       39.02977  1776.681       51.79902  2015.452       59.36398  -27.37314      9.031737  
1 1 1 11  3  2  o 378.4567 4.801100  1438.179       34.42366  1446.221       42.42876  1422.690       58.88507  3.287201       9.602201  
1 1 1 11  3  3  f 131.9582 1.980577  173.9569       5.221580  178.7311       7.596050  169.6800       7.189563  3.427597       3.961155  
1 1 1 11  3  4  o 212.0214 3.134363  447.4301       13.23117  474.3184       19.87393  426.0251       17.73210  11.37175       6.268725  
1 1 1 11  3  5  o 128.7959 1.941104  165.7502       4.995350  169.8685       7.256257  162.0402       6.887168  3.037094       3.882208  
1 1 1 11  3  6  o 369.1423 5.426929  1365.484       40.05460  1382.033       57.46843  1349.851       55.85744  4.334076       10.85386  
1 1 1 11  3  7  o 246.4016 2.568773  606.2529       12.63688  627.3345       18.53778  587.9523       17.27180  7.981537       5.137546  
1 1 1 11  3  8  o 251.0083 2.615124  630.3217       13.12588  623.8946       18.35119  637.0538       18.78188  -2.617538      5.230247  
1 1 1 11  3  9  o 177.5446 1.869883  315.0389       6.633992  322.0832       9.622858  308.6585       9.158145  3.777451       3.739766  
1 1 1 11  3  10 o 99.01370 1.080762  98.03024       2.139868  99.12574       3.059241  96.98078       2.994265  1.082878       2.161525  
1 1 1 11  3  11 o 238.7481 2.494356  569.9260       11.90028  582.7520       17.25892  558.3015       16.43069  5.111206       4.988712  
1 1 1 11  3  12 o 351.1676 3.649992  1235.170       25.62919  1220.696       35.78522  1250.412       36.72329  -4.213837      7.299984  
1 1 1 11  3  13 o 240.2463 2.508240  576.8585       12.03558  593.9706       17.57503  561.7463       16.51605  6.691940       5.016480  
1 1 1 11  3  14 o 178.2038 1.874543  316.6124       6.660827  303.9419       9.009883  331.8835       9.891367  -7.829651      3.749087  
1 1 1 11  3  15 o 88.44432 0.9821869 77.93015       1.732165  82.07645       2.572934  74.49313       2.342547  4.285484       1.964374  
1 1 1 11  3  16 o 240.1847 3.553572  577.0828       17.03410  599.2697       25.08432  558.0958       23.20499  8.519058       7.107145  
1 1 1 11  3  17 o 138.0118 1.470613  190.5299       4.058632  188.5835       5.680875  192.5592       5.800542  -1.438950      2.941226  
1 1 1 11  3  18 o 44.43516 0.6691042 19.79119       0.5919792 20.26547       0.8057117 19.23480       0.8726603 1.160088       1.338208  
1 1 1 11  3  19 o 255.1033 2.662150  651.8297       13.58193  648.7045       19.10702  655.0216       19.31010  -1.233658      5.324300  
1 1 1 11  3  20 f 254.8865 2.661418  649.0519       13.53536  626.3655       18.40329  675.7845       19.97721  -9.656738      5.322835  
1 1 1 11  3  21 o 279.1334 2.910356  780.8851       16.24681  784.9705       23.10816  776.8914       22.84699  1.439972       5.820711  
1 1 1 11  3  22 o 144.0461 1.533140  207.3061       4.410958  201.6405       6.053509  213.7193       6.440539  -4.186493      3.066279  
1 1 1 11  3  23 o 65.93288 0.7892752 43.00703       1.033066  47.30302       1.582692  39.81804       1.363615  5.674290       1.578550  
1 1 1 11  3  24 o 107.5147 1.439523  115.7980       2.918492  115.3121       5.048817  116.0419       3.576592  -0.3648224     2.879046  
1 1 1 11  3  25 f 145.6788 2.200024  212.4067       6.403752  217.6756       9.303210  207.6623       8.828010  3.421814       4.400048  
1 1 1 11  3  26 o 200.5146 2.720447  404.1772       10.72377  407.6402       13.97089  399.2107       16.73096  2.222229       5.440895  
1 1 1 11  3  27 o 186.7397 1.967689  348.8056       7.337823  338.7903       10.05209  360.2304       10.73615  -5.715561      3.935378  
1 1 1 11  3  28 f 90.13121 1.010379  81.21191       1.820021  83.22588       2.635061  79.37464       2.516806  2.133781       2.020757  
1 1 1 11  3  29 o 78.29514 0.9023043 61.26847       1.411780  59.70072       1.949525  62.99720       2.047167  -2.102875      1.804609  
1 1 1 11  3  30 o 156.5157 1.664349  245.5600       5.209700  246.8470       7.409866  244.3021       7.326106  0.8086243      3.328698  
1 1 1 11  3  31 o 127.0489 1.370765  161.3582       3.476959  167.3416       5.102227  156.1704       4.750877  4.379967       2.741530  
1 1 1 11  3  32 o 94.60698 1.056570  89.61987       1.999170  89.77543       2.831969  89.46535       2.822561  0.1634750      2.113140  
1 1 1 11  3  33 o 127.5396 1.378338  163.0379       3.515458  164.4648       5.017085  161.6615       4.927345  1.093384       2.756676  
1 1 1 11  3  34 o 33.17149 0.6224259 10.89899       0.4108594 12.32899       0.6177275 9.764536       0.5502030 3.863380       1.244852  
1 1 1 11  3  35 o 40.64431 0.6377896 16.53045       0.5184253 16.35210       0.7334538 16.70853       0.7328750 -0.4384956     1.275579  
1 1 1 11  3  36 o 60.91630 0.9332381 37.88158       1.100961  40.46715       1.420724  33.99488       1.741896  5.329601       1.866476  
1 1 1 11  3  37 o 5.326202 1.549241  0.1522570E-01  0.2887472 0.2895492      0.3644559 -0.4472670     0.4732230 1.543618       3.098481  
1 1 1 11  3  38 o 62.57831 0.9523833 38.80569       1.119744  40.46867       1.972836  38.01536       1.360039  1.919067       1.904767  
1 1 1 11  3  39 o 65.92812 0.8158635 43.45395       1.074552  41.93822       1.477307  45.15682       1.565847  -2.435036      1.631727  
1 1 1 11  3  40 o 42.58781 0.9286295 18.13020       0.7886018 17.60102       1.068340  18.76373       1.168941  -1.356518      1.857259  
1 1 1 11  3  41 o 27.06433 0.6918390 7.327966       0.3739365 7.901954       0.5374199 6.789279       0.5206317 2.054405       1.383678  
1 1 1 11  3  42 f 26.84624 0.6992997 7.194079       0.3747143 6.607382       0.5146524 7.855986       0.5466456 -2.323004      1.398599  
1 1 1 11  3  43 o 60.48450 0.7917267 36.64631       0.9575233 35.86830       1.336988  37.46558       1.371974  -1.317036      1.583453  
1 1 1 11  3  44 o 9.885019 1.472885  1.022573       0.2823666 0.9158131      0.3978862 1.130893       0.4007828 -1.081529      2.945771  
1 1 1 11  3  45 o 39.21063 0.8937032 15.74002       0.6460055 14.58883       1.143853  16.27916       0.7827965 -2.198994      1.787406  
1 1 1 11  3  46 o 12.17347 1.875153  1.538813       0.4387308 1.706538       0.6856773 1.422542       0.5708927 1.091845       3.750305  
1 1 1 11  3  47 o 6.473858 1.689956  0.3288328      0.2908760 0.2605228      0.4044778 0.4019987      0.4186074 -0.6661181     3.379911  
1 1 1 11  3  48 f 17.40430 0.9934815 3.085584       0.3367837 2.262347       0.4718881 3.940228       0.4808051 -4.818785      1.986963  
1 1 1 11  3  49 o 27.66542 0.7634559 7.676046       0.4223970 7.804024       0.6004503 7.550669       0.5943161 0.4570332      1.526912  
1 1 1 11  3  50 o 26.02086 0.8069941 6.755236       0.4177105 5.836709       0.5691890 7.827295       0.6149219 -3.817654      1.613988  
1 1 1 11  3  51 o 6.933991 1.748834  0.3893488      0.3149211 0.1832087      0.4342533 0.6180275      0.4573773 -1.899955      3.497667  
1 1 1 11  3  52 o 30.60067 0.7676608 9.397871       0.4697913 9.519349       0.6685051 9.279341       0.6603407 0.3907585      1.535322  
1 1 1 11  3  53 o 24.66880 1.100741  6.092823       0.5006288 6.023784       0.5996575 6.251625       0.9094639 -0.3789921     2.201483  
1 1 1 11  3  54 o 14.91819 2.196073  2.730259       0.6573796 0.8762667      1.058308  3.895017       0.8388336 -9.325977      4.392146  
1 1 1 11  4  0  o 148.2519 2.215406  219.6955       6.565363  215.1284       9.108403  224.6344       9.471914  -3.204193      4.430812  
1 1 1 11  4  1  o 279.2919 4.115839  780.9210       22.99018  781.3494       32.44388  780.4891       32.58260  0.1553650      8.231679  
1 1 1 11  4  2  o 74.60847 1.188980  55.65589       1.773937  56.62984       2.532568  54.71777       2.485546  1.281265       2.377960  
1 1 1 11  4  3  o 282.2308 2.936621  794.5274       16.53083  765.1830       22.41054  829.5499       24.48293  -11.38760      5.873241  
1 1 1 11  4  4  o 313.6331 3.263427  984.3962       20.46933  978.8600       28.77375  990.0685       29.12545  -1.783783      6.526855  
1 1 1 11  4  5  o 103.2493 1.365206  106.5929       2.664498  106.5365       3.271145  106.7040       4.593176  -0.7601929E-01 2.730412  
1 1 1 11  4  6  o 205.1007 3.037210  407.2388       12.10496  478.3670       20.18556  367.2950       15.12672  27.03067       6.074420  
1 1 1 11  4  7  o 87.37141 1.355203  76.05233       2.361197  80.11137       3.505208  72.68033       3.194810  4.251175       2.710406  
1 1 1 11  4  8  o 292.3126 4.300561  856.0492       25.14165  853.2407       35.42110  858.9008       35.69178  -0.9639893     8.601123  
1 1 1 11  4  9  o 211.1680 2.704777  445.6194       10.74762  448.2455       18.71797  444.3279       13.12729  0.8686829      5.409553  
1 1 1 11  4  10 o 141.6854 1.503519  199.0548       4.229507  187.2756       5.591817  214.8037       6.465762  -9.708755      3.007038  
1 1 1 11  4  11 o 177.5817 1.866612  315.5028       6.629524  315.4694       9.378414  315.5362       9.372713  -0.1884460E-01 3.733225  
1 1 1 11  4  12 o 192.0952 2.019984  369.0430       7.756922  375.0038       11.17555  363.5014       10.77528  2.989655       4.039969  
1 1 1 11  4  13 o 459.7215 4.783682  2121.054       43.97773  2101.479       61.61032  2141.389       62.79440  -4.307739      9.567365  
1 1 1 11  4  14 o 313.4578 3.262328  984.1341       20.44543  971.1683       28.48532  997.9111       29.36304  -4.247009      6.524655  
1 1 1 11  4  15 o 222.7365 2.328707  496.1087       10.36358  508.9625       15.06105  484.5494       14.28253  5.466812       4.657415  
1 1 1 11  4  16 o 193.9401 2.035862  376.4731       7.896519  377.8214       11.21367  375.1469       11.12162  0.6880188      4.071725  
1 1 1 11  4  17 o 234.8172 3.479096  551.2388       16.29677  574.6828       24.10424  531.4994       22.11789  9.140625       6.958192  
1 1 1 11  4  18 o 282.1109 2.943415  797.2010       16.60306  805.9203       23.80209  788.9381       23.17118  2.995178       5.886829  
1 1 1 11  4  19 o 151.2857 1.604977  228.8473       4.853143  233.5824       7.014103  224.4984       6.721973  2.998230       3.209955  
1 1 1 11  4  20 o 112.2897 1.216608  125.8904       2.727870  122.0280       3.732940  130.3164       3.996068  -3.687683      2.433215  
1 1 1 11  4  21 o 91.56607 1.022669  82.41470       1.848680  75.41249       2.393330  92.77251       2.910848  -9.474304      2.045337  
1 1 1 11  4  22 o 128.6403 1.959990  165.4259       5.036412  160.9675       6.918683  170.4514       7.345596  -3.677231      3.919980  
1 1 1 11  4  23 o 116.6631 1.791003  136.1922       4.177464  138.1343       6.001647  134.3669       5.818274  1.610916       3.582006  
1 1 1 11  4  24 o 65.79293 0.9801182 42.18725       1.177809  40.66103       1.392362  46.02671       2.208402  -4.067612      1.960236  
1 1 1 11  4  25 o 52.35134 0.6911950 27.34229       0.7225834 28.65946       1.058492  26.19277       0.9888350 2.355167       1.382390  
1 1 1 11  4  26 o 23.33310 0.6522701 5.406956       0.3025745 6.316794       0.4471817 4.638677       0.4109238 3.595613       1.304540  
1 1 1 11  4  27 o 33.01751 0.6023874 10.90380       0.3977866 10.90247       0.5626286 10.90512       0.5624818 -0.4020691E-02 1.204775  
1 1 1 11  4  28 o 121.4906 1.313095  147.7210       3.189744  149.6684       4.573995  145.8773       4.450497  1.556450       2.626191  
1 1 1 11  4  29 o 40.40950 0.6298999 16.32759       0.5089738 15.94980       0.7115491 16.72341       0.7283399 -0.9569130     1.259800  
1 1 1 11  4  30 o 72.62030 0.8560388 52.50680       1.238946  55.85617       1.848838  49.77677       1.669173  4.180740       1.712078  
1 1 1 11  4  31 o 105.9356 1.164478  112.3726       2.467153  111.9869       3.477134  112.7637       3.501153  -0.3656998     2.328956  
1 1 1 11  4  32 o 30.42058 0.6154946 9.254486       0.3743192 9.638699       0.5348800 8.885715       0.5240215 1.237337       1.230989  
1 1 1 11  4  33 o 91.71885 1.030968  84.13792       1.889439  86.51736       2.744254  81.99332       2.605299  2.459656       2.061935  
1 1 1 11  4  34 o 72.00258 0.8540428 51.89545       1.229831  51.56343       1.731268  52.23365       1.747329  -0.4647141     1.708086  
1 1 1 11  4  35 o 103.2739 1.142161  106.7913       2.357748  109.0674       3.404791  104.6942       3.268124  2.108795       2.284322  
1 1 1 11  4  36 o 48.35427 0.6842569 23.39039       0.6615707 23.82930       0.9486291 22.97479       0.9230976 0.8825417      1.368514  
1 1 1 11  4  37 o 94.12885 1.059437  88.55578       1.990198  92.37819       2.932651  85.29252       2.709684  3.747223       2.118874  
1 1 1 11  4  38 o 46.90245 0.8344045 22.45434       0.7508286 23.67877       0.9521257 20.44072       1.220997  3.468155       1.668809  
1 1 1 11  4  39 o 27.42134 0.9032788 7.540092       0.4938828 7.617671       0.6746730 7.450520       0.7249451 0.3085938      1.806558  
1 1 1 11  4  40 o 36.16747 0.7692353 13.34845       0.5435312 11.72981       0.8329863 14.54861       0.7172669 -3.905186      1.538471  
1 1 1 11  4  41 o 21.25272 0.7569917 4.523906       0.3216676 4.503076       0.4490161 4.545866       0.4610354 -0.9971619E-01 1.513983  
1 1 1 11  4  42 o 47.62967 0.7051929 22.71917       0.6717215 22.98123       0.9562762 22.46393       0.9437628 0.5420494      1.410386  
1 1 1 11  4  43 o 41.71747 0.6946500 17.41680       0.5793079 18.09871       0.8335345 16.77967       0.8057042 1.578526       1.389300  
1 1 1 11  4  44 o 26.93956 1.091671  7.094215       0.5780295 8.362895       0.9286417 6.291787       0.7385423 3.815966       2.183343  
1 1 1 11  4  45 o 24.23775 0.9084705 5.640543       0.4190023 5.130445       0.5091152 6.711315       0.7376285 -3.231783      1.816941  
1 1 1 11  4  46 f 72.12229 0.8905531 52.07467       1.282585  54.16872       1.878471  50.24588       1.755469  2.703369       1.781106  
1 1 1 11  4  47 o 34.42240 0.7189582 11.83325       0.4940248 11.03035       0.6753156 12.75761       0.7245982 -2.502926      1.437916  
1 1 1 11  4  48 o 37.31591 0.7131243 13.91914       0.5314350 14.82648       0.7765367 13.11980       0.7288526 2.280796       1.426249  
1 1 1 11  4  49 o 30.71279 0.7335317 9.402093       0.4491642 8.540073       0.6096069 10.42587       0.6643453 -3.062567      1.467063  
1 1 1 11  4  50 o 5.973338 1.688162  0.1777035      0.3040805 0.1233365      0.4098835 0.2442520      0.4534839 -0.6682181     3.376324  
1 1 1 11  4  51 o 19.62765 0.9264157 3.864183       0.3624910 3.448363       0.5005151 4.322886       0.5256902 -2.222582      1.852831  
1 1 1 11  4  52 o 29.67858 0.7910503 8.847593       0.4692816 9.163541       0.6624252 8.529271       0.6649106 1.069010       1.582101  
1 1 1 11  4  53 o 7.753432 1.802721  0.5900068      0.3245155 0.5152051      0.4590140 0.6647566      0.4588545 -0.6764870     3.605442  
1 1 1 11  4  54 o 33.01675 2.417048  0.000000       0.000000  ?              ?         11.12362       1.596062  ?              ?         
1 1 1 11  5  0  f 124.2767 1.434780  154.8100       3.546048  151.0644       5.268641  157.9118       4.794556  -2.756599      2.869560  
1 1 1 11  5  1  o 219.0390 2.292560  479.9225       10.04240  483.0408       14.30968  476.8964       14.09691  1.401337       4.585119  
1 1 1 11  5  2  o 257.9362 2.691918  664.7704       13.87002  683.1016       20.21694  648.4703       19.06412  6.704895       5.383835  
1 1 1 11  5  3  o 430.6152 4.485977  1841.954       38.37374  1734.408       50.84709  1984.256       58.48918  -28.91534      8.971953  
1 1 1 11  5  4  o 131.8680 1.406371  172.0771       3.675933  187.2644       5.670544  161.0691       4.827689  9.928947       2.812742  
1 1 1 11  5  5  o 362.3996 3.765997  1314.444       27.28692  1295.856       38.00865  1334.213       39.19789  -5.278198      7.531995  
1 1 1 11  5  6  o 131.4812 1.401299  172.0573       3.669927  164.1019       4.930756  181.9380       5.495111  -6.780090      2.802598  
1 1 1 11  5  7  o 206.1328 2.156145  424.9423       8.886155  418.9549       12.37893  431.3076       12.76374  -2.993301      4.312291  
1 1 1 11  5  8  o 223.5422 2.876219  494.9584       11.93726  486.4051       14.35441  514.1376       21.49459  -6.123062      5.752439  
1 1 1 11  5  9  f 224.1307 3.309551  498.6465       14.72486  537.6276       22.52782  469.5702       19.45637  15.13838       6.619101  
1 1 1 11  5  10 o 472.7109 6.968696  2240.234       65.65493  2352.299       97.83447  2148.414       88.55733  21.25726       13.93739  
1 1 1 11  5  11 o 187.0345 2.771698  348.0669       10.31392  370.4148       15.56666  330.5796       13.77017  10.62332       5.543396  
1 1 1 11  5  12 o 367.3661 4.705023  1343.583       32.17238  1383.810       57.52549  1325.273       38.80939  7.475464       9.410047  
1 1 1 11  5  13 o 243.4516 2.541667  593.3280       12.37473  589.5984       17.38720  597.1563       17.61607  -1.548569      5.083334  
1 1 1 11  5  14 o 232.0823 2.424990  539.1285       11.25352  545.3443       16.11594  533.2136       15.72116  2.606598       4.849980  
1 1 1 11  5  15 o 340.7135 3.546037  1163.454       24.15139  1144.343       33.52422  1184.074       34.82327  -5.794250      7.092075  
1 1 1 11  5  16 o 282.8424 2.948516  801.5629       16.67909  799.5008       23.51632  803.6503       23.65993  -0.7301636     5.897033  
1 1 1 11  5  17 o 191.0070 2.005725  365.1268       7.661553  362.6884       10.75513  367.6390       10.91683  -1.293381      4.011450  
1 1 1 11  5  18 f 94.80571 1.497488  87.82165       2.787811  100.8548       4.487296  79.62907       3.557703  11.18277       2.994976  
1 1 1 11  5  19 f 228.2221 2.921716  523.5218       12.63036  517.1454       21.60419  526.8328       15.56799  -2.278030      5.843431  
1 1 1 11  5  20 o 179.0211 2.675016  320.2803       9.556899  332.9437       14.08147  309.4662       13.01270  6.530212       5.350032  
1 1 1 11  5  21 o 161.0919 2.418848  259.6855       7.786754  253.8533       10.75369  266.1142       11.29015  -3.792236      4.837696  
1 1 1 11  5  22 o 274.5416 3.494874  762.3096       18.33353  776.5190       22.89640  736.9222       30.60471  7.504364       6.989748  
1 1 1 11  5  23 o 123.0050 1.327475  151.3423       3.264920  153.5502       4.680545  149.2497       4.556541  1.746117       2.654951  
1 1 1 11  5  24 o 178.2247 1.879482  318.0244       6.698409  315.1089       9.377019  321.0624       9.571951  -1.665176      3.758964  
1 1 1 11  5  25 o 180.5183 1.904249  325.7398       6.863393  337.1894       10.06333  315.7822       9.384764  5.908920       3.808497  
1 1 1 11  5  26 o 172.6775 1.823943  298.6654       6.299004  297.7885       8.882185  299.5524       8.934317  -0.5090790     3.647885  
1 1 1 11  5  27 o 63.43116 0.7768117 39.94593       0.9806397 43.27374       1.479074  37.33566       1.309945  4.677891       1.553623  
1 1 1 11  5  28 f 159.6210 1.694305  255.2135       5.407484  251.9279       7.543295  258.6868       7.755805  -2.108322      3.388610  
1 1 1 11  5  29 o 45.85068 0.6560603 20.82860       0.5984492 23.07773       0.9046193 19.07823       0.7980359 4.359371       1.312121  
1 1 1 11  5  30 o 44.24079 0.6446599 19.46491       0.5685498 18.16205       0.7672476 21.05163       0.8467147 -3.264030      1.289320  
1 1 1 11  5  31 o 33.28701 0.6142257 11.05090       0.4079487 12.18167       0.5936995 10.03947       0.5614996 3.217026       1.228451  
1 1 1 11  5  32 o 114.4650 1.248168  131.2240       2.856452  129.2887       3.977583  133.2850       4.104682  -1.738571      2.496336  
1 1 1 11  5  33 o 56.15059 0.7256702 31.53632       0.8146918 32.14068       1.169799  30.96711       1.135273  1.043835       1.451340  
1 1 1 11  5  34 o 140.4656 1.508233  197.7302       4.232859  192.8948       5.831638  203.1144       6.153670  -3.612320      3.016467  
1 1 1 11  5  35 o 94.49768 1.060586  89.45575       2.004449  89.60773       2.839873  89.30487       2.829592  0.1596451      2.121171  
1 1 1 11  5  36 o 70.07364 0.8434774 49.16376       1.182067  49.48446       1.680528  48.84972       1.663001  0.4519653      1.686955  
1 1 1 11  5  37 o 54.11833 0.7267800 29.31410       0.7865804 28.93591       1.104135  29.70382       1.120839  -0.7086258     1.453560  
1 1 1 11  5  38 o 63.75143 0.8012959 40.69081       1.021508  41.18077       1.460758  40.22192       1.429024  0.7500458      1.602592  
1 1 1 11  5  39 o 49.64216 0.7071600 24.52534       0.6997906 26.56414       1.042407  22.85270       0.9441756 3.732201       1.414320  
1 1 1 11  5  40 o 73.33354 1.235240  53.93914       1.809315  52.74584       2.485151  55.28508       2.639318  -1.712440      2.470481  
1 1 1 11  5  41 o 21.63114 1.012955  4.781369       0.4292827 5.689902       0.5945914 3.792166       0.6204273 4.389296       2.025910  
1 1 1 11  5  42 o 22.07586 1.073094  5.190972       0.4211130 4.212204       0.7623404 5.620788       0.5051845 -3.220572      2.146188  
1 1 1 11  5  43 o 38.01262 1.024126  14.30461       0.7710755 15.92120       1.195681  13.15366       1.008891  3.615879       2.048253  
1 1 1 11  5  44 o 34.91118 0.9518970 12.47811       0.6465893 10.99379       1.003593  13.53148       0.8454419 -3.654591      1.903794  
1 1 1 11  5  45 o 45.05563 0.7118495 20.21124       0.6392660 22.01620       0.9529479 18.73437       0.8619961 3.632614       1.423699  
1 1 1 11  5  46 o 33.35360 0.7144050 11.08715       0.4751893 10.10488       0.6461230 12.24436       0.7013013 -3.201307      1.428810  
1 1 1 11  5  47 f 71.29182 0.8902757 50.97596       1.268494  52.21745       1.836006  49.84211       1.754605  1.653351       1.780551  
1 1 1 11  5  48 o 62.82027 0.8258710 39.57257       1.037259  38.61275       1.443652  40.59683       1.491322  -1.572208      1.651742  
1 1 1 11  5  49 o 37.48258 0.7229268 14.08963       0.5419236 14.20659       0.7656379 13.97220       0.7671556 0.3128738      1.445854  
1 1 1 11  5  50 o 14.66411 1.149956  2.177219       0.3355868 2.347138       0.4654490 1.993260       0.4842945 1.210988       2.299911  
1 1 1 11  5  51 o 7.030700 1.723933  0.4162797      0.3147593 0.6911445      0.4364411 0.1183631      0.4543740 2.326220       3.447866  
1 1 1 11  5  52 o 28.65917 0.8008723 8.249349       0.4589454 8.059905       0.6496192 8.438126       0.6484759 -0.6600704     1.601745  
1 1 1 11  5  53 o 53.96556 0.8038465 29.25644       0.8675876 29.17876       1.223015  29.33513       1.230932  -0.1432838     1.607693  
1 1 1 11  5  54 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  6  0  o 291.0925 4.290518  848.5537       24.97874  849.6013       35.34156  847.5081       35.30901  0.3591614      8.581036  
1 1 1 11  6  1  f 405.2851 5.960445  1646.489       48.29601  1672.725       69.43406  1621.897       67.22141  6.233429       11.92089  
1 1 1 11  6  2  o 520.9141 7.660981  2723.833       79.74000  2664.222       109.9781  2789.904       115.7846  -11.93347      15.32196  
1 1 1 11  6  3  o 456.2743 6.710367  2086.305       61.14193  2153.571       89.46880  2027.364       83.74974  13.71259       13.42073  
1 1 1 11  6  4  o 358.7969 5.277006  1289.599       37.84084  1264.567       52.35607  1316.977       54.75454  -7.262482      10.55401  
1 1 1 11  6  5  o 229.1722 2.398288  525.3043       10.98847  532.2270       15.79163  518.8058       15.30011  2.924072       4.796576  
1 1 1 11  6  6  o 280.6725 2.923493  788.4434       16.41022  784.4019       23.08360  792.5729       23.33354  -1.452911      5.846985  
1 1 1 11  6  7  f 329.3487 3.423206  1085.960       22.54483  1075.561       31.54196  1096.821       32.23576  -3.217865      6.846413  
1 1 1 11  6  8  o 82.47364 0.9283452 68.00960       1.530800  68.66104       2.196750  67.39462       2.134355  0.7675171      1.856690  
1 1 1 11  6  9  o 432.4580 4.496491  1874.102       38.86973  1839.714       53.91277  1911.327       56.09217  -8.232697      8.992982  
1 1 1 11  6  10 o 195.8526 2.053784  381.0304       7.994904  360.4159       10.62274  407.9628       12.14194  -12.12218      4.107567  
1 1 1 11  6  11 o 79.94782 1.100491  63.02798       1.636665  61.53780       1.968396  66.36580       2.945935  -3.013458      2.200983  
1 1 1 11  6  12 o 284.5598 4.194962  806.8592       23.73571  860.5967       35.95367  765.3461       31.60075  16.62207       8.389924  
1 1 1 11  6  13 o 131.4340 1.977460  169.4010       5.110817  155.1942       6.549097  191.5289       8.173391  -13.79980      3.954921  
1 1 1 11  6  14 o 295.1522 4.352819  874.7813       25.69457  877.2084       36.44497  872.3826       36.23119  0.8102722      8.705638  
1 1 1 11  6  15 o 217.7431 2.782961  476.5149       11.49427  470.0143       19.59734  479.9239       14.19163  -2.395050      5.565922  
1 1 1 11  6  16 o 183.3492 2.080870  337.1354       7.578918  330.7078       11.34142  342.3217       10.18760  -3.185791      4.161741  
1 1 1 11  6  17 o 187.3992 2.792966  351.3485       10.45635  342.5983       14.38706  361.1457       15.22340  -4.929764      5.585933  
1 1 1 11  6  18 o 88.24281 1.411803  77.88699       2.491150  78.85779       3.565488  76.96110       3.482030  1.073669       2.823605  
1 1 1 11  6  19 o 47.72120 0.8248737 23.54412       0.7522330 25.92208       0.9636749 19.83541       1.203484  6.379108       1.649747  
1 1 1 11  6  20 f 115.2436 1.247307  132.8192       2.874019  134.8026       4.125804  130.9495       4.005805  1.670219       2.494614  
1 1 1 11  6  21 o 217.2344 2.275751  472.2939       9.881027  482.0954       14.28470  463.3013       13.68251  4.311050       4.551503  
1 1 1 11  6  22 o 187.8939 1.976883  353.4634       7.428439  351.2077       10.43667  355.7797       10.57551  -1.213501      3.953767  
1 1 1 11  6  23 o 212.8305 2.232336  453.7177       9.500913  457.8426       13.56958  449.7510       13.30691  1.893402       4.464673  
1 1 1 11  6  24 o 117.6451 1.274720  138.3728       2.997132  141.6936       4.338988  135.3426       4.144845  2.695450       2.549439  
1 1 1 11  6  25 o 47.66512 0.6686257 22.67929       0.6366476 23.64309       0.9284304 21.82384       0.8746829 1.907772       1.337251  
1 1 1 11  6  26 f 84.47120 0.9587331 70.78159       1.609327  76.61489       2.449360  66.35041       2.134795  6.069794       1.917466  
1 1 1 11  6  27 o 61.93976 0.7616436 38.37831       0.9434869 38.54277       1.341020  38.21712       1.327664  0.2626457      1.523287  
1 1 1 11  6  28 o 54.33182 0.7097535 29.22632       0.7664691 32.28605       1.166021  26.89833       1.017082  4.955326       1.419507  
1 1 1 11  6  29 o 54.72881 0.7110066 29.82452       0.7760206 28.16196       1.049938  31.82628       1.152078  -3.345387      1.422013  
1 1 1 11  6  30 o 115.8608 1.259952  134.2229       2.915765  130.3512       4.002130  138.6028       4.256660  -3.549904      2.519903  
1 1 1 11  6  31 o 81.40247 0.9352783 66.09270       1.518734  63.19775       2.059763  69.54163       2.248219  -3.889290      1.870557  
1 1 1 11  6  32 o 53.03120 0.7035919 28.02014       0.7442429 29.76888       1.103072  26.55890       1.008334  3.023464       1.407184  
1 1 1 11  6  33 o 130.6185 1.409155  170.9562       3.678974  167.5923       5.096545  174.6162       5.316108  -2.673386      2.818311  
1 1 1 11  6  34 o 106.4372 1.174311  113.5047       2.499417  114.6995       3.572770  112.3596       3.497841  1.094460       2.348621  
1 1 1 11  6  35 o 88.69358 1.008285  78.79519       1.788545  79.10368       2.537216  78.49049       2.521625  0.3447723      2.016569  
1 1 1 11  6  36 o 20.59870 0.7134803 4.251123       0.2933046 4.598838       0.4166803 3.909630       0.4129356 1.672756       1.426961  
1 1 1 11  6  37 o 47.27894 0.6856722 22.37206       0.6483145 22.21307       0.9105624 22.53552       0.9232802 -0.3403931     1.371344  
1 1 1 11  6  38 o 66.10312 0.8195005 43.73209       1.082897  42.79269       1.502946  44.74628       1.561634  -1.473763      1.639001  
1 1 1 11  6  39 o 50.35632 0.7114893 25.36177       0.7161449 26.28515       1.034128  24.51089       0.9927051 1.759056       1.422979  
1 1 1 11  6  40 o 26.82719 0.7641010 6.975179       0.4008138 8.327928       0.6565172 6.171366       0.5060751 4.007483       1.528202  
1 1 1 11  6  41 o 29.78573 1.359990  9.121152       0.7536179 9.498018       0.9221451 8.363258       1.307703  1.960260       2.719980  
1 1 1 11  6  42 o 26.40806 1.136869  6.704963       0.5415196 6.342764       0.6324541 7.699885       1.048214  -2.513603      2.273738  
1 1 1 11  6  43 f 36.79414 0.7891756 13.46270       0.5618247 13.98563       0.9275815 13.15970       0.7060739 1.099537       1.578351  
1 1 1 11  6  44 o 71.74734 0.8822269 51.62731       1.265878  52.08152       1.801913  51.18470       1.778755  0.6221848      1.764454  
1 1 1 11  6  45 f 19.37705 0.8586890 3.767242       0.3323465 4.016413       0.4728064 3.523883       0.4672605 1.270218       1.717378  
1 1 1 11  6  46 o 9.527094 1.534515  0.9404421      0.2853864 0.8044319      0.3818846 1.112477       0.4294916 -1.552400      3.069031  
1 1 1 11  6  47 o 34.79353 0.7105182 12.13535       0.4944057 11.97767       0.6960138 12.29595       0.7024209 -0.4565811     1.421036  
1 1 1 11  6  48 o 31.23835 0.7324011 9.780466       0.4574502 9.606860       0.6377039 9.964497       0.6565731 -0.5699558     1.464802  
1 1 1 11  6  49 o 20.77202 0.8875081 4.346320       0.3675979 4.578462       0.5100979 4.095512       0.5302089 1.166000       1.775016  
1 1 1 11  6  50 o 19.97196 0.9212366 3.997082       0.3666125 3.537794       0.5048046 4.509695       0.5333053 -2.427608      1.842473  
1 1 1 11  6  51 o 26.93051 0.8179440 7.288193       0.4401364 7.436754       0.6132559 7.130380       0.6320639 0.5722141      1.635888  
1 1 1 11  6  52 o 26.79641 0.8245316 7.142023       0.4394847 6.254370       0.5909709 8.240342       0.6573683 -3.692688      1.649063  
1 1 1 11  6  53 o 28.80591 0.9289410 8.374011       0.5236211 8.217833       0.8270313 8.478503       0.6764758 -0.4867172     1.857882  
1 1 1 11  7  0  o 457.1507 6.719934  2097.920       61.43677  2110.647       87.45875  2085.522       86.32183  2.724609       13.43987  
1 1 1 11  7  1  o 68.84221 1.181287  47.35491       1.625449  46.21190       2.251100  48.60005       2.349521  -1.734138      2.362574  
1 1 1 11  7  2  o 384.3441 5.653080  1476.541       43.32449  1419.877       58.62462  1544.726       64.30937  -16.13507      11.30616  
1 1 1 11  7  3  o 58.40651 1.048427  34.11574       1.224674  34.29811       1.738773  33.93621       1.725206  0.3097687      2.096853  
1 1 1 11  7  4  o 356.0937 5.240982  1270.976       37.30753  1250.016       51.80568  1293.557       53.77082  -6.075226      10.48196  
1 1 1 11  7  5  o 233.7687 3.456819  546.9986       16.15640  555.0251       23.21385  539.4581       22.50007  3.319763       6.913638  
1 1 1 11  7  6  o 489.1484 5.110909  2400.155       49.99820  2390.215       70.36800  2410.289       71.05324  -2.036987      10.22182  
1 1 1 11  7  7  f 103.7610 1.130981  107.6314       2.346098  109.3630       3.375456  106.0132       3.263160  1.613564       2.261963  
1 1 1 11  7  8  o 189.0207 1.984587  357.3495       7.500056  352.5105       10.44676  362.4966       10.77418  -2.638306      3.969174  
1 1 1 11  7  9  o 230.8869 2.412047  532.7986       11.12455  519.1920       15.28687  548.1161       16.21951  -6.251678      4.824094  
1 1 1 11  7  10 o 77.89787 0.8814668 60.68110       1.373170  61.22902       1.957600  60.15036       1.926681  0.6921921      1.762934  
1 1 1 11  7  11 o 134.8322 1.437151  180.2971       3.847737  169.6317       5.089586  194.5241       5.878273  -9.223633      2.874301  
1 1 1 11  7  12 f 188.2344 1.977375  354.5510       7.443323  351.5504       10.43089  357.6643       10.62469  -1.621262      3.954750  
1 1 1 11  7  13 o 87.61322 0.9779506 76.21819       1.704010  81.88200       2.580086  71.83639       2.269373  5.730553       1.955901  
1 1 1 11  7  14 o 168.8091 2.527442  284.5262       8.511481  296.8560       12.58488  274.1318       11.55505  6.709702       5.054884  
1 1 1 11  7  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  7  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  7  17 o 153.0863 2.299650  233.5326       7.013927  247.0482       10.48616  222.5902       9.435246  7.967255       4.599300  
1 1 1 11  7  18 o 175.5327 1.852087  308.0651       6.496406  301.0222       8.965953  315.8492       9.425906  -4.215607      3.704175  
1 1 1 11  7  19 o 197.8718 2.948080  392.4199       11.66549  395.6802       16.64923  389.2758       16.34983  1.609695       5.896161  
1 1 1 11  7  20 o 100.6378 1.108701  101.2288       2.229892  103.4929       3.228779  99.16407       3.083333  2.148994       2.217402  
1 1 1 11  7  21 o 108.6865 1.185285  117.9869       2.573096  121.7806       3.756689  114.6343       3.531551  3.284569       2.370569  
1 1 1 11  7  22 o 86.19294 0.9721072 74.24145       1.674505  76.16499       2.425971  72.49107       2.314198  2.129883       1.944214  
1 1 1 11  7  23 o 75.74090 0.8791686 57.04980       1.326125  53.96447       1.778788  60.91035       1.989740  -4.582626      1.758337  
1 1 1 11  7  24 o 51.82006 0.6944724 26.82722       0.7192937 27.78037       1.040032  25.95329       0.9958744 1.762405       1.388945  
1 1 1 11  7  25 o 184.9094 1.950618  342.5267       7.212735  339.4565       10.09957  345.7227       10.30421  -1.687180      3.901236  
1 1 1 11  7  26 o 92.60983 1.035833  85.80848       1.918306  85.00478       2.686393  86.64468       2.740194  -0.8841553     2.071666  
1 1 1 11  7  27 o 54.52220 0.7104306 29.07553       0.7642220 25.89181       0.9866961 33.84892       1.208176  -7.293217      1.420861  
1 1 1 11  7  28 o 49.89674 0.6767544 24.89870       0.6752501 24.43118       0.9450446 25.38634       0.9651690 -0.9567375     1.353509  
1 1 1 11  7  29 o 153.1960 1.631544  234.9074       4.992365  228.3922       6.852826  242.2759       7.287770  -4.507538      3.263088  
1 1 1 11  7  30 o 28.95735 0.6109779 8.380669       0.3535390 8.889747       0.5078561 7.901991       0.4924586 1.705183       1.221956  
1 1 1 11  7  31 o 95.72903 1.067833  91.67396       2.042808  89.47120       2.821355  94.10131       2.961685  -2.411690      2.135666  
1 1 1 11  7  32 o 41.87788 0.6414394 17.52872       0.5369253 18.08953       0.7757840 17.01310       0.7438746 1.284241       1.282879  
1 1 1 11  7  33 o 80.86798 0.9353077 65.39153       1.511339  63.50403       2.083602  67.48719       2.195497  -2.457306      1.870615  
1 1 1 11  7  34 f 62.94764 0.7846233 39.65561       0.9877185 40.18223       1.408045  39.14540       1.385908  0.8226051      1.569247  
1 1 1 11  7  35 o 34.93657 0.6339111 12.21394       0.4428546 12.52956       0.6286829 11.90308       0.6239263 0.8964195      1.267822  
1 1 1 11  7  36 o 40.62575 0.6544718 16.50332       0.5315210 17.13147       0.7649148 15.91682       0.7391173 1.493744       1.308944  
1 1 1 11  7  37 o 51.32921 0.7106504 26.37087       0.7294811 26.00236       1.023828  26.75085       1.039638  -0.7282639     1.421301  
1 1 1 11  7  38 o 66.85526 0.8264580 44.65944       1.103310  42.90029       1.509283  46.67841       1.616904  -2.818069      1.652916  
1 1 1 11  7  39 o 58.38884 1.121551  34.17292       1.307973  34.87056       1.907249  33.55349       1.797162  1.116005       2.243101  
1 1 1 11  7  40 f 17.47191 1.062585  3.045648       0.3378086 3.021602       0.4008987 3.104525       0.6273195 -0.2126007     2.125170  
1 1 1 11  7  41 o 10.50666 1.353069  1.189601       0.2687328 1.529458       0.3646062 0.7853937      0.3976284 3.677902       2.706138  
1 1 1 11  7  42 o 37.27972 0.6769430 13.91949       0.5047125 13.82065       0.7107737 14.02002       0.7168069 -0.2668877     1.353886  
1 1 1 11  7  43 o 40.21724 0.8299308 15.48080       0.6183761 14.38025       0.7342796 18.16512       1.146759  -4.659599      1.659862  
1 1 1 11  7  44 o 12.72021 1.595107  1.800628       0.3699718 2.163607       0.4719954 1.222236       0.5958107 3.902376       3.190213  
1 1 1 11  7  45 o 66.24103 0.9170780 43.66013       1.192773  42.16579       1.534551  45.94090       1.895828  -2.800789      1.834156  
1 1 1 11  7  46 o 17.05333 0.9574380 2.913652       0.3252624 2.844609       0.4386481 2.997984       0.4847856 -0.4423008     1.914876  
1 1 1 11  7  47 o 10.24876 1.443492  1.077896       0.2903283 0.8753453      0.3990424 1.305707       0.4231937 -2.258077      2.886984  
1 1 1 11  7  48 o 11.47802 1.374211  1.366714       0.3042845 1.582942       0.4250921 1.139505       0.4357525 2.113227       2.748421  
1 1 1 11  7  49 o 45.06850 0.7401474 20.37087       0.6670126 20.20631       0.9325035 20.54328       0.9544770 -0.3706017     1.480295  
1 1 1 11  7  50 o 43.84902 0.7471533 19.17012       0.6530566 20.96205       0.9722635 17.69709       0.8815141 3.707844       1.494307  
1 1 1 11  7  51 o 53.55193 0.7948246 28.70163       0.8497195 27.31865       1.159424  30.30638       1.248932  -2.773590      1.589649  
1 1 1 11  7  52 o 76.42824 1.221089  58.20375       1.700559  61.01964       3.168634  57.06455       2.015400  2.245354       2.442178  
1 1 1 11  7  53 o 5.538628 1.752613  -0.4091556     0.4437754 0.1799527      0.4881862 -3.212230      1.064891  1.406429       3.505227  
1 1 1 11  8  0  f 380.3242 5.596189  1450.962       42.56483  1459.628       60.58772  1442.516       59.81133  2.234192       11.19238  
1 1 1 11  8  1  o 433.9918 6.385831  1890.768       55.40697  1919.766       79.67653  1863.614       77.10147  6.407959       12.77166  
1 1 1 11  8  2  o 310.2210 4.570109  964.5396       28.35365  969.6176       40.32334  959.5734       39.87663  1.610931       9.140219  
1 1 1 11  8  3  o 396.1335 5.832960  1574.396       46.18555  1547.034       64.02463  1604.084       66.68931  -7.136902      11.66592  
1 1 1 11  8  4  o 199.0423 2.958080  396.3126       11.76831  388.7990       16.30148  404.4904       17.00672  -3.932617      5.916160  
1 1 1 11  8  5  o 97.74454 1.533140  95.00153       2.983185  90.05192       3.993461  101.2510       4.487311  -5.725243      3.066280  
1 1 1 11  8  6  o 321.8777 4.745235  1037.960       30.51373  1066.411       44.42291  1012.546       41.98598  8.310333       9.490470  
1 1 1 11  8  7  o 192.6066 2.027048  371.1977       7.808438  371.6327       11.05801  370.7650       11.02765  0.2249298      4.054097  
1 1 1 11  8  8  o 265.4987 2.769590  704.1050       14.67688  730.5118       21.59002  681.4171       20.01217  9.221313       5.539181  
1 1 1 11  8  9  o 228.7203 2.390326  523.6062       10.93367  520.5328       15.36277  526.7607       15.56429  -1.358551      4.780651  
1 1 1 11  8  10 o 211.8730 2.219595  448.8554       9.397298  438.8559       12.97032  459.9046       13.63408  -4.957474      4.439190  
1 1 1 11  8  11 o 239.4187 3.073287  572.7843       13.80551  578.8337       24.20525  569.8677       16.80728  1.707489       6.146573  
1 1 1 11  8  12 o 163.1445 2.449821  264.4943       7.943170  283.9544       12.07300  249.6412       10.54757  10.48647       4.899641  
1 1 1 11  8  13 f 272.0073 4.023252  741.9766       21.87133  758.2093       31.65701  727.1525       30.25227  5.663422       8.046505  
1 1 1 11  8  14 o 171.9679 2.203374  299.5230       7.295312  309.6328       9.236747  282.7588       11.89428  7.858612       4.406747  
1 1 1 11  8  15 o 116.8758 1.263016  136.5849       2.951251  138.9193       4.243211  134.3975       4.107494  1.933090       2.526032  
1 1 1 11  8  16 o 285.0183 2.972573  814.0636       16.94372  819.4692       24.12293  808.8000       23.80433  1.863403       5.945145  
1 1 1 11  8  17 o 247.2469 3.206825  597.4360       14.40266  577.0555       16.96944  649.9367       27.23602  -14.44179      6.413651  
1 1 1 11  8  18 o 109.4446 1.669951  119.0555       3.635401  112.5502       4.846291  127.4266       5.497538  -6.785744      3.339902  
1 1 1 11  8  19 o 114.3203 1.737460  130.7181       3.970237  128.3090       5.503612  133.3322       5.732934  -2.192787      3.474921  
1 1 1 11  8  20 o 203.6753 2.612160  416.5942       10.07464  413.0311       17.25932  418.4357       12.40790  -1.466217      5.224320  
1 1 1 11  8  21 o 79.09325 0.9105367 61.72117       1.426279  68.58121       2.212645  56.84434       1.865596  7.415825       1.821073  
1 1 1 11  8  22 f 47.27881 0.6613323 22.19001       0.6228235 24.30062       0.9330550 20.49381       0.8364529 4.025028       1.322665  
1 1 1 11  8  23 o 41.41233 0.6349034 17.12387       0.5254114 17.98494       0.7612588 16.34055       0.7260768 1.985039       1.269807  
1 1 1 11  8  24 o 199.6168 2.099118  399.3195       8.380230  398.0099       11.80908  400.6480       11.89425  -0.6576843     4.198236  
1 1 1 11  8  25 o 22.54858 0.6588535 5.092648       0.2966919 5.263810       0.4132923 4.910648       0.4261757 0.7832909      1.317707  
1 1 1 11  8  26 o 21.67060 0.6580585 4.666214       0.2842437 4.293922       0.3836545 5.119237       0.4232133 -1.903606      1.316117  
1 1 1 11  8  27 o 51.44399 0.6985006 26.47513       0.7186731 26.47219       1.016595  26.47805       1.016119  -0.5702972E-02 1.397001  
1 1 1 11  8  28 o 44.43216 0.6432590 19.42088       0.5665974 17.24430       0.7440602 22.42506       0.8741468 -5.827225      1.286518  
1 1 1 11  8  29 o 91.29785 1.026090  83.34503       1.872020  81.24313       2.584006  85.66680       2.715781  -2.417900      2.052180  
1 1 1 11  8  30 o 59.75072 0.7536309 35.44674       0.8963081 32.97835       1.198148  38.58348       1.350653  -4.685539      1.507262  
1 1 1 11  8  31 o 43.15178 0.6533253 18.54744       0.5625618 20.01177       0.8293872 17.29969       0.7656006 3.140579       1.306651  
1 1 1 11  8  32 o 114.8825 1.256187  132.1981       2.884909  134.6152       4.157492  129.9534       4.006453  2.019447       2.512375  
1 1 1 11  8  33 o 38.06759 0.6337175 14.43197       0.4813353 13.42614       0.6546245 15.61578       0.7101871 -2.874096      1.267435  
1 1 1 11  8  34 o 75.18355 0.8877539 56.57471       1.334398  57.45112       1.918522  55.75340       1.857219  1.125877       1.775508  
1 1 1 11  8  35 f 50.08620 0.6979498 24.82593       0.6946973 22.64380       0.9211643 27.70374       1.057860  -5.044674      1.395900  
1 1 1 11  8  36 o 26.94095 0.6584321 7.262675       0.3547298 7.113767       0.4975007 7.416675       0.5059331 -0.5617790     1.316864  
1 1 1 11  8  37 o 43.65611 0.9095652 18.91638       0.7631189 19.73199       1.281683  18.46845       0.9498299 1.422760       1.819130  
1 1 1 11  8  38 o 33.78778 1.000636  11.44673       0.6732345 10.07263       0.9383178 12.90461       0.9665024 -4.188334      2.001272  
1 1 1 11  8  39 o 23.99273 0.7061490 5.769112       0.3383121 5.848207       0.4673395 5.682025       0.4903832 0.3479805      1.412298  
1 1 1 11  8  40 o 30.43148 0.6751394 9.252872       0.4097124 10.29753       0.5937291 8.303181       0.5660995 3.274786       1.350279  
1 1 1 11  8  41 o 29.98999 0.6769214 8.994810       0.4057244 8.606616       0.5617725 9.418068       0.5865940 -1.350883      1.353843  
1 1 1 11  8  42 f 66.55270 0.8371860 44.33112       1.113175  42.81248       1.531984  46.02980       1.620255  -2.407532      1.674372  
1 1 1 11  8  43 o 24.38802 0.7321187 5.960106       0.3570652 5.964643       0.5016563 5.955449       0.5083429 0.1951599E-01  1.464237  
1 1 1 11  8  44 f 42.70018 0.7065887 18.22285       0.6026271 17.12388       0.8290002 19.45434       0.8775580 -2.723866      1.413177  
1 1 1 11  8  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  8  46 o 17.51884 1.018376  3.018649       0.3518659 3.833789       0.5399281 2.416892       0.4639061 4.030484       2.036751  
1 1 1 11  8  47 f 18.48117 0.9104234 3.426625       0.3361061 3.370078       0.4624833 3.489922       0.4893011 -0.3199081     1.820847  
1 1 1 11  8  48 o 16.04538 1.032972  2.568769       0.3299015 2.256865       0.4461935 2.944887       0.4899764 -2.135301      2.065944  
1 1 1 11  8  49 o 6.091342 1.623397  0.1953301      0.2943647 0.5146796      0.4111115 -0.1406474     0.4216787 2.396732       3.246795  
1 1 1 11  8  50 o 47.13849 0.7636206 22.27776       0.7194872 21.61628       0.9966570 22.99764       1.039726  -1.457928      1.527241  
1 1 1 11  8  51 o 76.74828 1.406562  59.30772       2.147565  63.01802       3.242083  56.40691       2.866678  4.184845       2.813123  
1 1 1 11  8  52 o 33.73785 0.7696522 11.43209       0.5187592 11.46513       0.7176207 11.39592       0.7507744 0.1090050      1.539304  
1 1 1 11  8  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  9  0  o 273.2658 4.033084  746.9166       22.00870  726.0084       30.15042  770.7650       32.20065  -8.153687      8.066168  
1 1 1 11  9  1  o 214.4128 3.179289  460.3013       13.63328  458.6269       19.20130  462.0037       19.36042  -0.7852020     6.358579  
1 1 1 11  9  2  o 240.2814 3.557823  577.1034       17.06656  559.5160       23.31219  597.4158       25.05325  -7.857834      7.115646  
1 1 1 11  9  3  o 97.09282 1.531443  94.29976       2.973831  94.58359       4.212297  94.01772       4.198999  0.2913132      3.062886  
1 1 1 11  9  4  o 158.5013 2.382909  250.9232       7.540486  243.4308       10.30416  259.5615       11.06406  -5.079285      4.765818  
1 1 1 11  9  5  o 118.8946 1.827500  141.2106       4.339977  137.3698       5.958634  145.5502       6.333844  -3.436531      3.655000  
1 1 1 11  9  6  o 283.9589 4.193976  806.5444       23.76657  838.1562       35.01793  779.5475       32.36110  10.25717       8.387952  
1 1 1 11  9  7  f 211.6364 3.143795  448.2162       13.29545  458.7231       19.28436  438.6974       18.35524  4.713562       6.287590  
1 1 1 11  9  8  o 286.9256 3.657747  828.4850       19.92915  815.0673       33.87572  835.5869       24.64523  -3.793304      7.315493  
1 1 1 11  9  9  o 242.0081 3.584670  585.4161       17.30459  564.1845       23.47596  610.6782       25.60749  -9.551224      7.169339  
1 1 1 11  9  10 o 210.7662 3.133074  445.1776       13.20685  445.7717       18.71357  444.5881       18.64125  0.2790070      6.266149  
1 1 1 11  9  11 o 133.5372 1.769880  176.1592       4.375924  172.5236       5.245777  184.4771       7.934706  -4.437790      3.539760  
1 1 1 11  9  12 o 325.0170 3.384150  1058.067       21.98011  1082.604       31.86442  1035.793       30.35930  7.161011       6.768301  
1 1 1 11  9  13 o 71.59425 0.8358231 51.03946       1.193180  48.51815       1.612805  54.08799       1.773432  -3.888824      1.671646  
1 1 1 11  9  14 o 116.1853 1.255628  134.9836       2.916749  137.1254       4.190209  132.9703       4.062564  1.786789       2.511255  
1 1 1 11  9  15 o 137.1551 1.463524  188.1589       4.013625  185.7699       5.602414  190.6779       5.752819  -1.787277      2.927048  
1 1 1 11  9  16 o 277.7755 2.897786  772.8782       16.09136  785.9011       23.17768  760.7604       22.35769  4.503479       5.795573  
1 1 1 11  9  17 o 262.7193 2.742730  691.6077       14.41059  695.6091       20.50706  687.7042       20.25459  1.497681       5.485460  
1 1 1 11  9  18 o 32.82997 0.6038834 10.51661       0.3913319 13.15844       0.6069548 8.637096       0.5119489 6.885393       1.207767  
1 1 1 11  9  19 o 40.12350 0.7163409 15.83499       0.5474960 15.26204       0.6722522 16.96361       0.9435111 -2.118259      1.432682  
1 1 1 11  9  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  9  21 o 109.7896 1.676123  120.5810       3.678191  118.2786       5.096449  123.0839       5.313856  -2.183388      3.352246  
1 1 1 11  9  22 f 108.0605 1.654764  115.3264       3.537845  127.4658       5.510907  106.8160       4.614207  9.531487       3.309528  
1 1 1 11  9  23 o 100.7197 1.117053  101.0319       2.241335  106.6269       3.352513  96.51000       3.013909  5.015877       2.234107  
1 1 1 11  9  24 o 201.8540 2.123418  408.3247       8.569008  414.8202       12.32752  402.2519       11.91959  3.095490       4.246835  
1 1 1 11  9  25 f 85.68611 0.9732486 73.18836       1.663313  77.10426       2.465475  69.91727       2.253369  4.188988       1.946497  
1 1 1 11  9  26 o 80.39903 0.9261627 64.66872       1.488979  64.00613       2.082037  65.36235       2.130259  -0.8422241     1.852325  
1 1 1 11  9  27 o 131.9433 1.420473  173.6391       3.734920  183.0953       5.573428  165.9312       5.031931  6.479828       2.840945  
1 1 1 11  9  28 o 103.4882 1.142723  107.2164       2.364869  106.2006       3.312835  108.2720       3.376946  -0.9982758     2.285446  
1 1 1 11  9  29 o 37.27636 0.6238070 13.88426       0.4647598 13.41572       0.6433001 14.39583       0.6721907 -1.313931      1.247614  
1 1 1 11  9  30 f 62.33586 0.7735048 38.80405       0.9628970 40.35511       1.409459  37.44660       1.318565  2.329765       1.547010  
1 1 1 11  9  31 o 135.5747 1.459412  184.3402       3.957185  184.1952       5.594584  184.4855       5.598026  -0.1068420     2.918823  
1 1 1 11  9  32 o 38.94086 0.6425964 15.01695       0.4978780 16.97666       0.7497597 13.47116       0.6658899 4.498203       1.285193  
1 1 1 11  9  33 o 83.99604 0.9670836 70.60543       1.623637  72.09288       2.345802  69.23753       2.249561  1.694473       1.934167  
1 1 1 11  9  34 o 55.42571 0.7343341 30.43332       0.8090520 27.97878       1.074050  33.65296       1.230106  -5.111317      1.468668  
1 1 1 11  9  35 o 51.53493 0.9185150 26.29407       0.8593433 27.33824       1.610032  25.87810       1.016197  1.379143       1.837030  
1 1 1 11  9  36 o 29.46283 1.053580  8.696655       0.6173733 7.509134       0.8564003 9.981524       0.8908115 -4.193001      2.107161  
1 1 1 11  9  37 o 55.68381 0.7429127 31.04786       0.8273597 30.94115       1.167798  31.15539       1.172342  -0.1920891     1.485825  
1 1 1 11  9  38 o 47.72784 0.6978186 22.75736       0.6653131 23.95713       0.9698105 21.69073       0.9144202 2.370556       1.395637  
1 1 1 11  9  39 o 52.55910 0.7301928 27.66429       0.7675033 27.98800       1.093958  27.35050       1.077066  0.6051712      1.460386  
1 1 1 11  9  40 o 27.48258 0.6888599 7.563507       0.3785678 7.518106       0.5298203 7.610861       0.5411097 -0.1678715     1.377720  
1 1 1 11  9  41 o 51.81520 0.7362173 26.77973       0.7611418 25.13322       1.034219  28.72535       1.124241  -3.458050      1.472435  
1 1 1 11  9  42 o 42.84419 0.6973137 18.38787       0.5974774 18.12479       0.8397583 18.65756       0.8502611 -0.6207695     1.394627  
1 1 1 11  9  43 o 18.94136 0.8600465 3.568830       0.3244086 3.273580       0.4351120 3.938379       0.4867916 -1.748640      1.720093  
1 1 1 11  9  44 o 89.65208 1.040889  80.73717       1.866351  80.64349       2.641551  80.83056       2.637293  -0.1049881     2.081777  
1 1 1 11  9  45 f 17.87249 1.333328  3.245829       0.4147201 3.169516       0.8172523 3.272296       0.4812939 -0.3589687     2.666655  
1 1 1 11  9  46 o 41.49394 0.8612629 17.49170       0.6887054 18.11980       0.8737794 16.46147       1.119064  2.034992       1.722526  
1 1 1 11  9  47 o 11.79580 1.720829  1.496391       0.3855211 1.658629       0.4879508 1.226882       0.6289074 2.046510       3.441658  
1 1 1 11  9  48 o 21.68410 0.8714307 4.741016       0.3763884 5.090608       0.5236132 4.367240       0.5414205 1.671041       1.742861  
1 1 1 11  9  49 o 9.133319 1.872062  0.8833919      0.3636368 0.7104087      0.5716605 1.000957       0.4712754 -1.186457      3.744123  
1 1 1 11  9  50 o 27.55611 1.116475  7.787467       0.5892951 8.163592       0.7446671 7.157263       0.9639110 1.879293       2.232949  
1 1 1 11  9  51 o 32.48391 0.7805341 10.58425       0.5064372 10.37850       0.6959506 10.81583       0.7383491 -0.6651497     1.561068  
1 1 1 11  9  52 o 21.48166 0.9599841 4.621565       0.4114399 4.288838       0.5595089 5.013345       0.6071319 -1.675159      1.919968  
1 1 1 11  10 0  o 70.29933 1.190655  49.40305       1.673551  50.57199       2.402481  48.30114       2.332584  1.614708       2.381309  
1 1 1 11  10 1  o 234.0465 3.466314  548.3199       16.21463  559.9478       23.45191  537.6707       22.44323  4.740784       6.932628  
1 1 1 11  10 2  o 143.8712 2.173721  207.1010       6.253736  205.1219       8.751963  209.1657       8.939247  -1.403137      4.347441  
1 1 1 11  10 3  o 241.8718 3.582085  585.9778       17.32182  577.9315       24.11291  594.5576       24.89952  -3.421082      7.164171  
1 1 1 11  10 4  f 46.85865 0.9563312 21.49359       0.8859292 25.24760       1.386431  18.90292       1.151744  6.768700       1.912662  
1 1 1 11  10 5  o 318.6256 4.701437  1018.953       29.95341  1030.675       42.89896  1007.801       41.84186  3.558380       9.402874  
1 1 1 11  10 6  o 154.5841 2.328240  238.0362       7.168404  251.5843       10.73835  227.1458       9.627658  7.887238       4.656480  
1 1 1 11  10 7  o 170.0024 2.547160  288.8213       8.646497  298.9920       12.66751  279.9492       11.83126  5.585327       5.094320  
1 1 1 11  10 8  o 187.0200 2.436184  345.1747       8.392483  337.5578       10.01639  363.1211       15.37475  -6.734695      4.872367  
1 1 1 11  10 9  f 133.1513 1.422321  177.3741       3.787672  177.6081       5.362506  177.1410       5.350666  0.1752625      2.844642  
1 1 1 11  10 10 o 311.9236 3.249062  975.2343       20.26834  980.1276       28.82114  970.4462       28.50893  1.543762       6.498124  
1 1 1 11  10 11 o 192.0854 2.017064  369.1541       7.746408  374.6199       11.12776  364.0149       10.79019  2.755188       4.034128  
1 1 1 11  10 12 f 128.0330 1.373643  163.9696       3.517026  165.5356       5.020110  162.4601       4.928799  1.200050       2.747286  
1 1 1 11  10 13 o 123.4518 1.330415  152.4690       3.284824  152.4054       4.652903  152.5322       4.638017  -0.5148315E-01 2.660830  
1 1 1 11  10 14 o 140.5539 1.498563  197.5800       4.211068  194.6032       5.861780  200.7547       6.053547  -2.185745      2.997125  
1 1 1 11  10 15 o 316.4384 3.296819  1002.307       20.83061  1035.984       30.52105  972.9415       28.50049  9.898956       6.593638  
1 1 1 11  10 16 o 125.9595 1.360379  158.6914       3.426263  160.9430       4.909753  156.5540       4.783644  1.740486       2.720758  
1 1 1 11  10 17 o 266.6235 2.783582  712.5092       14.84271  716.3464       21.10981  708.7574       20.87371  1.416138       5.567163  
1 1 1 11  10 18 o 150.8331 1.603000  227.6913       4.835685  227.1680       6.824832  228.2188       6.852634  -0.3477936     3.206001  
1 1 1 11  10 19 o 99.22293 1.099050  97.21387       2.158894  107.2518       3.353256  90.10746       2.821432  8.632149       2.198101  
1 1 1 11  10 20 o 79.32607 1.328166  62.84884       2.104529  65.33128       3.071539  60.65219       2.889320  2.945915       2.656332  
1 1 1 11  10 21 f 58.17788 0.7390938 33.52910       0.8544974 31.12313       1.133101  36.70155       1.301134  -4.792320      1.478188  
1 1 1 11  10 22 f 163.8984 2.112422  271.0052       6.613049  275.4371       8.249393  263.0359       11.06220  3.882751       4.224844  
1 1 1 11  10 23 o 49.29349 0.9073966 24.21226       0.8925738 25.80304       1.317151  22.86142       1.213759  2.981876       1.814793  
1 1 1 11  10 24 o 92.06081 1.434935  84.72940       2.638862  87.53989       3.847626  82.23330       3.626051  2.874779       2.869870  
1 1 1 11  10 25 o 22.05120 0.7039044 4.870634       0.3088528 4.800151       0.4588689 4.929013       0.4176086 -0.2929592     1.407809  
1 1 1 11  10 26 f 49.62806 0.6826036 24.38798       0.6736026 27.03911       1.021993  22.35165       0.8956892 4.719883       1.365207  
1 1 1 11  10 27 o 80.17992 0.9276467 64.27823       1.486538  65.96779       2.151634  62.73526       2.056176  2.012787       1.855293  
1 1 1 11  10 28 o 48.97086 0.6843001 23.68839       0.6652228 21.57333       0.8777197 26.54306       1.019699  -5.070377      1.368600  
1 1 1 11  10 29 o 32.51168 0.6241159 10.57824       0.4057077 10.79119       0.5713022 10.36158       0.5762444 0.6608429      1.248232  
1 1 1 11  10 30 o 147.8345 1.581603  219.2757       4.676195  218.2578       6.585293  220.3110       6.641340  -0.6902161     3.163206  
1 1 1 11  10 31 o 54.24135 0.7225475 29.40576       0.7832623 28.46278       1.082604  30.44153       1.134626  -1.822063      1.445095  
1 1 1 11  10 32 o 87.72035 1.001036  77.03979       1.755702  78.19230       2.520235  75.95306       2.447248  1.272339       2.002071  
1 1 1 11  10 33 o 70.19286 1.129482  49.85878       1.561717  46.26514       2.375565  52.59404       2.072524  -4.529076      2.258964  
1 1 1 11  10 34 o 62.92740 1.165729  39.37598       1.457931  42.56538       2.216928  36.94545       1.935300  4.442348       2.331458  
1 1 1 11  10 35 o 90.21786 1.027944  81.22070       1.848936  77.41919       2.497537  85.83054       2.750278  -4.642693      2.055888  
1 1 1 11  10 36 o 32.52504 0.6449818 10.58915       0.4195597 10.55785       0.5933266 10.62045       0.5933676 -0.9622955E-01 1.289964  
1 1 1 11  10 37 o 55.89875 0.7465341 31.28533       0.8344991 30.88529       1.168737  31.70140       1.191925  -0.7283936     1.493068  
1 1 1 11  10 38 o 108.4884 1.205086  118.1914       2.614610  118.8744       3.721267  117.5255       3.674413  0.6157913      2.410172  
1 1 1 11  10 39 o 30.64729 0.6741364 9.404315       0.4131755 9.251042       0.5804563 9.561738       0.5882588 -0.5063152     1.348273  
1 1 1 11  10 40 o 33.38886 0.6746845 11.16155       0.4503961 11.56612       0.6429108 10.77163       0.6311641 1.188808       1.349369  
1 1 1 11  10 41 o 13.75603 1.039510  1.895367       0.2856365 1.806563       0.3923433 1.995517       0.4166541 -0.6834946     2.079021  
1 1 1 11  10 42 f 30.49669 0.6953431 9.289057       0.4234341 8.663244       0.5813292 9.996325       0.6180049 -2.182129      1.390686  
1 1 1 11  10 43 o 113.2315 1.260800  129.0347       2.854865  130.2213       4.077407  127.8936       3.998527  1.013313       2.521600  
1 1 1 11  10 44 f 79.06296 0.9512672 62.62154       1.502131  60.26091       2.059338  65.30566       2.195901  -3.170166      1.902534  
1 1 1 11  10 45 o 32.61162 0.7233455 10.66026       0.4715518 11.13717       0.6723205 10.19850       0.6615597 1.437794       1.446691  
1 1 1 11  10 46 o 23.81498 0.7987562 5.688840       0.3783023 6.523919       0.5449793 4.912243       0.5255499 3.381004       1.597512  
1 1 1 11  10 47 o 22.57167 0.8404809 5.138063       0.3746467 6.179240       0.5368381 4.149529       0.5230902 4.493954       1.680962  
1 1 1 11  10 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  10 49 o 35.93929 0.8415565 12.90821       0.6015946 12.38578       0.8032489 13.57564       0.9078963 -1.635807      1.683113  
1 1 1 11  10 50 o 28.19118 0.7991722 7.977759       0.4500203 7.927950       0.6200966 8.033183       0.6541145 -0.1803818     1.598344  
1 1 1 11  10 51 o 12.62586 1.638845  1.520017       0.3928801 1.040823       0.4887480 2.395147       0.6604891 -5.448077      3.277691  
1 1 1 11  10 52 o 37.69106 1.490398  0.000000       0.000000  ?              ?         14.31745       1.123494  ?              ?         
1 1 1 11  11 0  o 133.6099 1.431261  177.8384       3.811438  170.2280       5.140687  187.1293       5.679941  -6.320160      2.862523  
1 1 1 11  11 1  o 140.2864 2.126189  196.9035       5.964036  194.5438       8.324406  199.3921       8.548917  -1.725021      4.252379  
1 1 1 11  11 2  o 228.9130 3.394673  524.3834       15.52298  510.8838       21.33538  539.5671       22.62715  -6.236465      6.789345  
1 1 1 11  11 3  o 115.3326 1.781147  133.0894       4.108165  132.4562       5.768379  133.7412       5.852172  -0.5560379     3.562293  
1 1 1 11  11 4  f 334.7068 4.942139  1125.346       33.06943  1108.368       45.97851  1143.541       47.59800  -5.196259      9.884278  
1 1 1 11  11 5  o 336.6639 4.972941  1139.448       33.48333  1143.345       47.55426  1135.616       47.15345  1.132568       9.945883  
1 1 1 11  11 6  f 138.8585 2.106846  192.9847       5.850447  194.6324       8.347242  191.3937       8.202228  1.163742       4.213692  
1 1 1 11  11 7  o 262.1565 2.748147  686.5375       14.37505  715.0704       21.21779  662.3287       19.54399  10.02203       5.496294  
1 1 1 11  11 8  o 98.54076 1.083040  97.12066       2.134302  96.55296       2.996189  97.70549       3.041028  -0.5844269     2.166080  
1 1 1 11  11 9  o 193.4983 2.189828  375.8320       8.438787  387.6678       11.52843  362.1695       12.38618  6.603333       4.379656  
1 1 1 11  11 10 o 243.1275 2.542471  591.9627       12.36279  593.4879       17.52633  590.4524       17.44124  0.6225433      5.084942  
1 1 1 11  11 11 o 213.6475 2.240002  456.9028       9.569766  461.9631       13.68740  452.0634       13.38505  2.311111       4.480004  
1 1 1 11  11 12 o 86.08270 0.9691403 73.85767       1.664213  77.63908       2.463277  70.68224       2.257295  4.039017       1.938281  
1 1 1 11  11 13 o 19.17804 0.5691076 3.673564       0.2181324 3.553234       0.3016299 3.805492       0.3158314 -0.6575985     1.138215  
1 1 1 11  11 14 f 58.47550 0.7284428 33.48193       0.8407950 38.69317       1.326462  29.98188       1.087077  7.446980       1.456886  
1 1 1 11  11 15 f 64.03825 0.7751552 40.76409       0.9885198 38.45231       1.325321  43.66283       1.484065  -4.067017      1.550310  
1 1 1 11  11 16 o 336.2836 3.505770  1134.140       23.55984  1110.990       32.55230  1159.605       34.14179  -7.167206      7.011540  
1 1 1 11  11 17 o 198.9848 2.092732  396.4489       8.327306  400.4137       11.89548  392.6386       11.66119  1.948029       4.185465  
1 1 1 11  11 18 o 111.5999 1.216033  123.4269       2.693490  115.6518       3.555039  133.9049       4.126964  -8.169113      2.432067  
1 1 1 11  11 19 o 121.0526 1.308442  146.6370       3.167750  147.1003       4.495737  146.1803       4.464181  0.3793793      2.616884  
1 1 1 11  11 20 o 216.7365 3.232992  471.6155       14.00558  481.3178       20.23529  462.6934       19.40458  4.253769       6.465984  
1 1 1 11  11 21 o 108.1352 1.184660  116.8519       2.559196  113.8151       3.520478  120.2551       3.726830  -2.973503      2.369320  
1 1 1 11  11 22 o 112.2745 1.227063  126.1140       2.754384  128.0515       3.958814  124.2961       3.834723  1.669296       2.454126  
1 1 1 11  11 23 o 115.8728 1.261630  134.3988       2.923642  135.0828       4.157960  133.7300       4.111736  0.5823898      2.523259  
1 1 1 11  11 24 o 63.65366 0.8415743 40.65336       1.068373  43.16307       1.490084  37.99830       1.532630  4.057892       1.683149  
1 1 1 11  11 25 o 72.46638 1.172814  51.95798       1.685173  48.14564       2.214236  57.20575       2.597858  -6.237114      2.345628  
1 1 1 11  11 26 o 66.47405 1.101236  44.23101       1.463791  43.83582       2.046653  44.64485       2.094399  -0.6067505     2.202471  
1 1 1 11  11 27 o 54.65609 0.8899427 29.98521       0.9695504 27.39566       1.379801  32.51084       1.362663  -4.680008      1.779885  
1 1 1 11  11 28 o 67.94152 0.8972694 46.38302       1.214592  49.46828       1.686329  43.05706       1.750873  4.720764       1.794539  
1 1 1 11  11 29 o 64.38889 0.7973096 40.79078       1.014972  37.12302       1.319325  46.10910       1.588689  -6.967873      1.594619  
1 1 1 11  11 30 o 42.05593 0.6557455 17.63863       0.5504755 16.77373       0.7502546 18.64720       0.8101737 -2.225334      1.311491  
1 1 1 11  11 31 o 50.75968 0.9096645 26.36744       0.8598197 24.19864       1.490818  27.44843       1.052507  -3.222336      1.819329  
1 1 1 11  11 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  11 33 o 30.03597 0.6454340 9.026733       0.3876737 8.842080       0.5436016 9.217844       0.5530267 -0.6251030     1.290868  
1 1 1 11  11 34 o 131.2440 1.422785  172.8873       3.733604  170.4023       5.206395  175.5182       5.357055  -1.933762      2.845571  
1 1 1 11  11 35 o 52.85671 0.7248259 27.96585       0.7661511 27.46125       1.074478  28.48777       1.092755  -0.9699593     1.449652  
1 1 1 11  11 36 f 45.46458 0.6894838 20.62362       0.6258372 22.00768       0.9181892 19.42270       0.8552895 2.838993       1.378968  
1 1 1 11  11 37 o 103.5117 1.159406  107.4814       2.398745  109.6929       3.466431  105.4494       3.322801  2.032875       2.318813  
1 1 1 11  11 38 o 61.15402 0.7905269 37.43393       0.9663949 36.35737       1.341152  38.59657       1.393742  -1.826351      1.581054  
1 1 1 11  11 39 o 54.28353 0.7474732 29.42355       0.8097956 30.99694       1.193599  28.08166       1.102291  2.677280       1.494946  
1 1 1 11  11 40 o 17.68203 0.8588322 3.139313       0.3032483 3.244571       0.4220705 3.027001       0.4359837 0.6167507      1.717664  
1 1 1 11  11 41 o 109.9825 1.225868  121.6244       2.695837  123.1509       3.863408  120.1758       3.763533  1.335945       2.451737  
1 1 1 11  11 42 f 81.40567 0.9661735 66.51801       1.572949  66.64015       2.237477  66.39869       2.211718  0.1447372      1.932347  
1 1 1 11  11 43 o 25.60997 0.7564166 6.577133       0.3841422 7.756979       0.5546418 5.489405       0.5325497 4.424665       1.512833  
1 1 1 11  11 44 o 25.13931 0.7600606 6.327145       0.3813530 6.188548       0.5204057 6.487892       0.5604467 -0.5902195     1.520121  
1 1 1 11  11 45 o 9.435459 1.555641  0.9447888      0.2885984 1.056179       0.3946742 0.8167846      0.4230848 1.225835       3.111282  
1 1 1 11  11 46 o 17.44542 1.116644  2.915698       0.3799949 3.845244       0.6248263 2.370104       0.4786951 4.197743       2.233288  
1 1 1 11  11 47 o 53.31212 1.189868  28.59554       1.264156  29.25631       1.877599  28.04764       1.709742  1.093796       2.379736  
1 1 1 11  11 48 o 53.28967 0.7841009 28.48129       0.8352723 27.67981       1.159142  29.34698       1.204680  -1.556351      1.568202  
1 1 1 11  11 49 o 6.626750 1.827608  0.2751371      0.3542688 0.4193157      0.4510053 0.4284586E-01  0.5724633 0.7202425      3.655216  
1 1 1 11  11 50 o 15.08521 1.387022  2.289706       0.4115047 2.220690       0.5319103 2.392589       0.6494392 -0.5301838     2.774044  
1 1 1 11  11 51 o 32.31584 0.9610578 10.37543       0.6160411 9.514205       0.8102646 11.55526       0.9483734 -3.125530      1.922116  
1 1 1 11  12 0  f 160.8174 2.417604  258.9285       7.775456  260.4101       11.06344  257.4824       10.93009  0.9078522      4.835208  
1 1 1 11  12 1  o 372.5504 4.749533  1399.373       33.55725  1409.436       41.43179  1380.185       57.21482  4.497040       9.499065  
1 1 1 11  12 2  o 127.0981 1.365935  161.5998       3.472050  162.4686       4.933577  160.7472       4.887191  0.6767044      2.731870  
1 1 1 11  12 3  o 386.9958 5.719548  1508.746       44.26671  1517.026       62.97189  1500.656       62.23970  2.081207       11.43910  
1 1 1 11  12 4  o 67.73859 1.166430  45.62309       1.573806  48.89110       2.359080  43.00217       2.112650  4.344490       2.332861  
1 1 1 11  12 5  o 154.1237 2.018863  236.5261       5.818175  234.3206       7.053248  241.2223       10.29240  -2.187866      4.037727  
1 1 1 11  12 6  o 239.6881 2.511647  573.8049       12.01335  596.7132       17.71145  554.2853       16.34909  8.823975       5.023295  
1 1 1 11  12 7  o 237.3622 2.483987  564.0782       11.79029  569.5447       16.85085  558.8355       16.50258  2.249100       4.967974  
1 1 1 11  12 8  o 92.87752 1.028672  85.43616       1.896460  93.00401       2.904901  79.81476       2.503615  7.096992       2.057343  
1 1 1 11  12 9  o 116.1347 1.254750  134.9236       2.914386  134.7529       4.114222  135.0956       4.128947  -0.1474304     2.509500  
1 1 1 11  12 10 o 107.4030 1.170321  114.6329       2.500823  122.5937       3.775980  108.4124       3.337810  6.597290       2.340641  
1 1 1 11  12 11 o 180.7565 1.903204  327.0265       6.880145  328.4499       9.773387  325.6280       9.687174  0.7790985      3.806408  
1 1 1 11  12 12 o 130.7241 1.401192  170.4880       3.654723  177.8118       5.395998  164.2807       4.967651  5.169647       2.802384  
1 1 1 11  12 13 o 164.3118 1.737680  269.7782       5.702626  262.2940       7.823456  278.2626       8.329802  -4.850235      3.475361  
1 1 1 11  12 14 o 37.00857 0.5967490 13.53299       0.4389503 12.16847       0.5830872 15.31769       0.6668494 -4.254181      1.193498  
1 1 1 11  12 15 o 138.1129 1.475932  190.8841       4.076897  190.6843       5.758804  191.0849       5.772425  -0.1448059     2.951863  
1 1 1 11  12 16 o 47.06673 0.7174615 22.10359       0.6605517 21.90555       0.8479747 22.40922       1.053421  -0.5332832     1.434923  
1 1 1 11  12 17 o 93.26336 1.040182  86.50253       1.931484  92.24870       2.902704  81.93669       2.587459  5.524033       2.080365  
1 1 1 11  12 18 o 94.59438 1.053705  89.52275       1.993477  89.77250       2.825854  89.27533       2.812597  0.2625809      2.107411  
1 1 1 11  12 19 o 121.2913 1.315229  146.2234       3.173294  156.6215       4.797441  138.1352       4.231146  7.608521       2.630459  
1 1 1 11  12 20 o 101.1781 1.609736  102.5017       3.257284  103.1284       4.630476  101.8878       4.582883  0.6117020      3.219473  
1 1 1 11  12 21 f 125.4892 1.354570  157.6320       3.399340  158.9459       4.848688  156.3620       4.767134  1.027176       2.709140  
1 1 1 11  12 22 o 122.7885 1.329269  150.5910       3.258239  145.4533       4.446579  156.5481       4.788035  -4.507011      2.658538  
1 1 1 11  12 23 o 88.09519 0.9966856 77.43644       1.752191  81.02180       2.584037  74.38475       2.383980  3.761475       1.993371  
1 1 1 11  12 24 f 33.03160 0.6866941 10.40034       0.4329560 9.324385       0.5270896 12.63208       0.7591190 -5.001759      1.373388  
1 1 1 11  12 25 f 35.13133 0.6252713 12.31707       0.4387164 11.79844       0.6012726 12.90754       0.6415629 -1.577644      1.250543  
1 1 1 11  12 26 o 22.02192 0.6487213 4.789425       0.2818602 6.045092       0.4233555 3.789706       0.3777522 5.119629       1.297443  
1 1 1 11  12 27 o 42.27724 0.7448263 18.02717       0.6138276 18.55210       0.7909474 17.23225       0.9733233 1.566933       1.489653  
1 1 1 11  12 28 o 52.33698 0.9311832 27.33281       0.9726419 28.78337       1.433691  26.09589       1.323906  2.562668       1.862366  
1 1 1 11  12 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  12 30 o 58.11819 1.387097  33.45919       1.508932  35.05855       2.680619  32.71736       1.825640  1.950386       2.774195  
1 1 1 11  12 31 o 69.15845 1.065485  46.96873       1.423583  51.51648       2.385769  44.45423       1.774009  5.067451       2.130970  
1 1 1 11  12 32 o 64.46611 0.8004163 41.59886       1.031693  42.07124       1.480184  41.15254       1.438767  0.7102585      1.600833  
1 1 1 11  12 33 o 74.37350 0.8888028 55.23394       1.319497  52.83698       1.798794  58.02620       1.941463  -3.479698      1.777606  
1 1 1 11  12 34 o 56.82574 0.7533319 32.29834       0.8555511 33.21899       1.239071  31.45947       1.182757  1.544777       1.506664  
1 1 1 11  12 35 o 52.89985 0.7311204 28.02079       0.7735208 28.04575       1.095475  27.99599       1.092379  0.4683685E-01  1.462241  
1 1 1 11  12 36 o 95.00882 1.078832  90.53208       2.049532  89.18488       2.862499  91.94920       2.935842  -1.446922      2.157664  
1 1 1 11  12 37 o 33.41024 0.6678861 11.16424       0.4460002 11.70837       0.6426014 10.65852       0.6195111 1.569538       1.335772  
1 1 1 11  12 38 o 6.224265 1.506173  0.3191320      0.2433846 0.5583094      0.3375272 0.6006610E-01  0.3512802 2.307640       3.012347  
1 1 1 11  12 39 o 26.38971 0.7015666 6.915405       0.3680567 8.081766       0.5472222 5.951899       0.4973642 4.031067       1.403133  
1 1 1 11  12 40 o 91.39461 1.051460  83.88068       1.921949  83.58817       2.715535  84.17428       2.720566  -0.3199387     2.102920  
1 1 1 11  12 41 o 42.43034 0.6995260 18.03124       0.5934869 18.56497       0.8480532 17.51895       0.8308458 1.230949       1.399052  
1 1 1 11  12 42 o 51.85168 0.7456870 26.88204       0.7722401 28.22288       1.128837  25.70254       1.058753  2.422672       1.491374  
1 1 1 11  12 43 o 20.65617 0.8010737 4.278135       0.3308274 4.235800       0.4609042 4.323126       0.4751419 -0.2095280     1.602147  
1 1 1 11  12 44 o 47.90962 0.7350487 22.92954       0.7028328 24.35000       1.035892  21.71788       0.9567322 2.736717       1.470097  
1 1 1 11  12 45 o 52.38151 1.188013  27.59379       1.241561  28.20012       1.828904  27.07552       1.690872  1.044041       2.376026  
1 1 1 11  12 46 o 29.80435 0.7594625 8.908270       0.4525756 8.785904       0.6310046 9.037902       0.6494721 -0.4200001     1.518925  
1 1 1 11  12 47 o 20.51446 0.8809181 4.231428       0.3605881 4.595465       0.5127668 3.875284       0.5071765 1.754272       1.761836  
1 1 1 11  12 48 o 27.89436 0.7787901 7.810858       0.4344312 7.847503       0.6108149 7.773346       0.6180053 0.1341610      1.557580  
1 1 1 11  12 49 o 21.93543 0.9871454 4.865968       0.4309220 4.429778       0.6200721 5.273411       0.5992904 -1.927755      1.974291  
1 1 1 11  12 50 o 25.11290 1.008178  6.362284       0.5036063 6.455425       0.6805665 6.249557       0.7487147 0.4271069      2.016356  
1 1 1 11  12 51 o 28.52936 2.156296  0.000000       0.000000  ?              ?         8.274515       1.230355  ?              ?         
1 1 1 11  13 0  o 309.1105 3.224493  953.4941       19.85610  913.1201       26.70743  1003.391       29.69039  -14.52539      6.448986  
1 1 1 11  13 1  f 92.29309 1.021026  85.19902       1.884660  85.42326       2.671275  84.97675       2.659389  0.2417984      2.042052  
1 1 1 11  13 2  o 169.6504 1.790964  286.8288       6.055511  274.7262       8.165352  301.6200       9.026884  -7.914230      3.581929  
1 1 1 11  13 3  o 162.1246 1.715322  262.8486       5.558956  258.2353       7.712325  267.8372       8.019789  -2.957169      3.430643  
1 1 1 11  13 4  o 251.3960 2.627726  632.8578       13.20977  626.7602       18.48023  639.2285       18.88936  -2.471283      5.255452  
1 1 1 11  13 5  o 205.2215 2.155851  421.3636       8.844100  429.0969       12.75166  414.1956       12.27675  3.622131       4.311703  
1 1 1 11  13 6  o 240.8860 2.520011  581.1491       12.14062  580.0597       17.13036  582.2485       17.20876  -0.4526367     5.040023  
1 1 1 11  13 7  o 135.1122 1.445123  181.1662       3.878745  170.7248       5.140052  194.9756       5.911180  -8.964401      2.890247  
1 1 1 11  13 8  o 209.9013 2.202228  441.0996       9.244270  438.4906       12.97699  443.7875       13.17193  -1.257858      4.404456  
1 1 1 11  13 9  o 303.6109 3.167927  924.0231       19.23287  935.2366       27.51732  913.3132       26.89223  3.591919       6.335854  
1 1 1 11  13 10 f 71.74435 0.8435137 51.42554       1.209545  53.03442       1.749990  49.95393       1.673672  2.146233       1.687027  
1 1 1 11  13 11 o 216.0133 2.264037  467.2829       9.780713  470.2466       13.91950  464.3926       13.74616  1.350967       4.528074  
1 1 1 11  13 12 o 47.75355 0.6551792 22.75110       0.6245310 21.96279       0.8518749 23.66715       0.9183014 -1.784073      1.310358  
1 1 1 11  13 13 o 31.70247 0.5789580 9.940268       0.3650474 8.890122       0.4872230 11.28423       0.5511833 -3.775482      1.157916  
1 1 1 11  13 14 o 253.9026 2.654538  645.8204       13.47301  635.1550       18.70090  657.3306       19.42730  -4.343994      5.309076  
1 1 1 11  13 15 o 85.52321 0.9700354 73.04329       1.656824  70.99318       2.271328  75.37469       2.422143  -2.559692      1.940071  
1 1 1 11  13 16 o 128.6626 1.384618  165.3212       3.556972  171.4618       5.215806  159.9826       4.863309  4.453835       2.769237  
1 1 1 11  13 17 o 86.93951 0.9818912 75.61758       1.707299  75.82375       2.415411  75.41173       2.413562  0.2369232      1.963782  
1 1 1 11  13 18 o 36.60153 0.6151037 13.01678       0.4435235 11.16476       0.5708604 15.83726       0.7044793 -6.381538      1.230207  
1 1 1 11  13 19 o 167.4081 1.773561  280.5358       5.934356  275.1033       8.217813  286.4560       8.578710  -3.377975      3.547122  
1 1 1 11  13 20 o 34.95671 1.052494  12.15885       0.7308396 14.32186       1.075015  10.30001       0.9965642 5.750767       2.104987  
1 1 1 11  13 21 o 86.29774 0.9797655 74.49321       1.690521  75.70057       2.427152  73.35565       2.355952  1.356873       1.959531  
1 1 1 11  13 22 o 71.05359 0.8520876 50.43501       1.209115  49.10427       1.657588  51.94825       1.767602  -1.998558      1.704175  
1 1 1 11  13 23 o 124.0468 1.343309  154.0309       3.330836  157.0820       4.807035  151.2131       4.619581  2.357330       2.686617  
1 1 1 11  13 24 o 43.01746 0.6413454 18.51220       0.5517761 18.61716       0.7819016 18.40808       0.7787663 0.2429466      1.282691  
1 1 1 11  13 25 o 71.68654 0.8539619 51.01833       1.217520  47.73450       1.620998  55.26865       1.844178  -5.247200      1.707924  
1 1 1 11  13 26 o 89.84502 1.105330  80.64297       1.956114  82.00596       3.054618  79.69547       2.546829  1.260704       2.210660  
1 1 1 11  13 27 o 57.69468 1.136359  33.08995       1.305678  30.61338       1.750933  36.19219       1.959664  -4.823532      2.272718  
1 1 1 11  13 28 o 22.48065 0.9847134 4.240751       0.3584165 3.757628       0.3939972 6.559012       0.8630683 -6.206718      1.969427  
1 1 1 11  13 29 o 45.23215 0.7731973 20.53261       0.6821272 20.72780       0.8750830 20.23035       1.088961  0.5588303      1.546395  
1 1 1 11  13 30 o 84.14156 1.335238  70.70728       2.239709  74.63267       3.333431  67.47686       3.023985  4.227760       2.670476  
1 1 1 11  13 31 o 38.34163 0.8112834 14.71168       0.6218863 14.99950       0.8944908 14.44240       0.8652005 0.7248573      1.622567  
1 1 1 11  13 32 o 25.40017 0.7204178 6.293575       0.3590128 7.298085       0.5800983 5.669988       0.4570598 3.198654       1.440836  
1 1 1 11  13 33 o 32.49856 0.6392854 10.56291       0.4152752 10.80667       0.5998282 10.33852       0.5755025 0.7190132      1.278571  
1 1 1 11  13 34 o 52.68578 0.7220484 27.77905       0.7606368 27.03818       1.062167  28.55893       1.089770  -1.441502      1.444097  
1 1 1 11  13 35 o 38.70548 0.6596741 14.97357       0.5101206 14.06964       0.7064387 15.95847       0.7373954 -2.438007      1.319348  
1 1 1 11  13 36 o 77.27232 0.9214674 59.83931       1.423786  58.81530       1.989048  60.91534       2.038955  -1.354027      1.842935  
1 1 1 11  13 37 o 47.32698 0.7036806 22.40321       0.6655928 21.58013       0.9207660 23.30400       0.9632514 -1.817863      1.407361  
1 1 1 11  13 38 o 90.50063 1.041224  82.21002       1.884605  81.82879       2.657216  82.59589       2.673325  -0.4217529     2.082448  
1 1 1 11  13 39 o 66.00120 0.8385805 43.64206       1.106471  42.46602       1.537651  44.90493       1.593411  -1.841400      1.677161  
1 1 1 11  13 40 o 57.95766 0.7812900 33.64212       0.9050659 34.44648       1.308365  32.90402       1.253322  1.324745       1.562580  
1 1 1 11  13 41 o 35.42945 0.6893767 12.57059       0.4883320 13.00886       0.6989559 12.15266       0.6825479 1.206665       1.378753  
1 1 1 11  13 42 o 63.78154 0.8279113 40.78380       1.055771  41.61175       1.516762  40.00560       1.470484  1.253082       1.655823  
1 1 1 11  13 43 f 58.93061 1.045060  34.49306       1.109231  35.89199       2.105172  33.95539       1.305097  1.499802       2.090121  
1 1 1 11  13 44 o 70.98657 1.118281  50.94920       1.493319  51.43291       1.829773  49.98444       2.584138  1.167313       2.236561  
1 1 1 11  13 45 o 76.45493 0.9407175 58.69623       1.437703  59.84424       2.073759  57.63380       1.994969  1.431389       1.881435  
1 1 1 11  13 46 o 35.48413 0.7343937 12.57342       0.5199986 13.70435       0.7644378 11.59942       0.7094186 2.957870       1.468787  
1 1 1 11  13 47 o 21.34180 0.8663345 4.573826       0.3696166 4.385209       0.5167294 4.771445       0.5289171 -0.9025269     1.732669  
1 1 1 11  13 48 o 42.53658 0.8464990 18.37698       0.7087091 16.88407       1.077175  19.51650       0.9410853 -3.120296      1.692998  
1 1 1 11  13 49 o 21.99900 1.069567  4.918718       0.4664127 5.301742       0.6359691 4.472939       0.6860933 1.897076       2.139134  
1 1 1 11  13 50 o 22.21585 1.072468  5.013044       0.4727833 5.494270       0.6523185 4.480530       0.6862006 2.290417       2.144936  
1 1 1 11  14 0  o 111.3902 1.209716  124.1197       2.694990  123.9254       3.802667  124.3157       3.819973  -0.1749878     2.419433  
1 1 1 11  14 1  o 329.8813 3.436108  1091.021       22.66506  1104.178       32.46813  1078.516       31.65384  3.865814       6.872217  
1 1 1 11  14 2  o 184.6114 1.948386  340.9539       7.190252  335.8606       9.982791  346.4446       10.36508  -2.860107      3.896772  
1 1 1 11  14 3  o 209.1378 2.193160  437.7537       9.170593  444.0321       13.16764  431.8399       12.77942  2.907318       4.386321  
1 1 1 11  14 4  o 133.8775 1.435270  179.2046       3.840925  182.8435       5.542788  175.8429       5.327392  2.611755       2.870539  
1 1 1 11  14 5  o 277.7266 2.898603  772.9111       16.09863  766.9931       22.56943  779.0406       22.96966  -2.158295      5.797206  
1 1 1 11  14 6  o 263.7632 2.754808  696.4719       14.52069  681.9940       20.06132  712.4039       21.04467  -5.739136      5.509616  
1 1 1 11  14 7  o 175.6863 1.854243  308.8607       6.513694  312.7479       9.336691  305.1749       9.091704  2.150818       3.708486  
1 1 1 11  14 8  o 175.3066 1.849734  306.7902       6.470480  296.0628       8.800376  319.4134       9.546360  -6.645859      3.699468  
1 1 1 11  14 9  o 73.44070 0.8609141 53.93289       1.264299  54.69119       1.808874  53.20864       1.767811  1.008980       1.721828  
1 1 1 11  14 10 o 236.4547 2.476027  558.7642       11.68399  540.0868       15.90995  580.6297       17.21434  -8.537582      4.952054  
1 1 1 11  14 11 o 272.2224 2.843726  742.9667       15.48215  740.0885       21.80545  745.8926       21.98581  -1.060181      5.687451  
1 1 1 11  14 12 o 89.09695 1.002287  78.65993       1.773414  73.49326       2.345502  85.55573       2.709710  -6.764885      2.004573  
1 1 1 11  14 13 o 177.8395 1.876881  316.0812       6.664999  326.8327       9.762063  306.6934       9.121928  5.646439       3.753763  
1 1 1 11  14 14 o 131.9483 1.417215  173.8261       3.732659  167.9103       5.090819  180.7041       5.489219  -4.839783      2.834430  
1 1 1 11  14 15 f 162.2692 1.720041  262.6848       5.564878  275.5446       8.269461  252.0412       7.523216  7.221786       3.440082  
1 1 1 11  14 16 o 72.39368 0.8533840 52.42271       1.235516  52.74846       1.759030  52.10552       1.735768  0.4437180      1.706768  
1 1 1 11  14 17 f 106.9054 1.175285  113.8926       2.504680  120.0863       3.728353  108.7982       3.381325  5.271736       2.350571  
1 1 1 11  14 18 o 71.74849 0.8497161 51.49052       1.219153  52.14041       1.741701  50.86618       1.707104  0.8873367      1.699432  
1 1 1 11  14 19 o 149.3598 1.592878  223.0422       4.750847  216.3532       6.504694  230.6902       6.955349  -4.782440      3.185755  
1 1 1 11  14 20 o 92.85773 1.508272  86.17647       2.796681  89.81106       4.097636  83.00699       3.826482  3.652649       3.016543  
1 1 1 11  14 21 o 62.56934 0.7782139 39.05259       0.9718239 37.44331       1.323459  40.93572       1.431640  -2.788227      1.556428  
1 1 1 11  14 22 o 66.05476 0.8049852 43.57473       1.062098  45.27863       1.550723  42.06922       1.457659  2.426849       1.609970  
1 1 1 11  14 23 f 27.69632 0.6049314 7.670485       0.3347782 8.138825       0.4787462 7.222318       0.4683217 1.654339       1.209863  
1 1 1 11  14 24 o 78.96227 1.139887  63.64732       1.726960  57.94710       2.807968  67.11516       2.190155  -5.834831      2.279774  
1 1 1 11  14 25 o 88.35170 1.461691  78.20615       2.581358  76.36205       3.576970  80.21025       3.728954  -2.167686      2.923382  
1 1 1 11  14 26 o 86.01524 1.231336  74.30556       1.984423  74.61736       2.418362  73.66287       3.471984  0.6164856      2.462672  
1 1 1 11  14 27 o 73.94025 0.8784012 54.67389       1.297955  56.18962       1.881620  53.29789       1.792773  1.951355       1.756802  
1 1 1 11  14 28 o 35.05412 0.7683991 12.27958       0.5382501 12.78999       0.7810737 11.81801       0.7427711 1.384781       1.536798  
1 1 1 11  14 29 o 44.15548 0.6688334 19.30653       0.5873027 21.54362       0.8899906 17.58091       0.7816576 4.482861       1.337667  
1 1 1 11  14 30 f 27.56583 0.6518441 7.431184       0.3541531 9.493652       0.5452046 5.925663       0.4658103 6.468185       1.303688  
1 1 1 11  14 31 o 44.79080 0.6817776 19.99330       0.6090918 18.94014       0.8250591 21.25477       0.9029766 -2.580082      1.363555  
1 1 1 11  14 32 f 59.67817 1.030125  35.56698       1.226461  33.89949       1.664379  37.54831       1.814252  -3.044701      2.060251  
1 1 1 11  14 33 o 108.1871 1.672948  117.8237       3.619214  116.5969       5.062741  119.1059       5.175816  -1.143173      3.345896  
1 1 1 11  14 34 o 58.76152 0.8982987 34.96460       1.025193  33.03665       1.635934  36.21137       1.315559  -2.729191      1.796597  
1 1 1 11  14 35 o 17.71519 0.8372144 3.075216       0.2768619 4.924212       0.4296143 1.761878       0.3620754 8.919889       1.674429  
1 1 1 11  14 36 o 68.01862 0.8463073 46.35383       1.150769  46.89187       1.656427  45.85190       1.599910  0.7591019      1.692615  
1 1 1 11  14 37 o 55.19736 0.7509816 30.40550       0.8272918 28.63249       1.126440  32.48173       1.218964  -3.478321      1.501963  
1 1 1 11  14 38 o 53.43936 0.8172567 28.44120       0.8584020 27.65436       1.108273  29.62102       1.357103  -1.813232      1.634513  
1 1 1 11  14 39 o 36.37475 0.6880211 13.25516       0.5005213 13.13427       0.7060633 13.37728       0.7096383 -0.3337059     1.376042  
1 1 1 11  14 40 o 53.60091 0.7562313 28.79891       0.8106783 28.64750       1.147791  28.94964       1.145158  -0.2821274     1.512463  
1 1 1 11  14 41 f 50.87626 0.8259381 26.09532       0.8281402 25.12908       1.272374  26.80548       1.090813  -1.670456      1.651876  
1 1 1 11  14 42 o 15.28767 1.954956  2.411846       0.5763165 2.468950       0.8956332 2.371492       0.7528942 0.2702713E-02  3.909912  
1 1 1 11  14 43 o 61.56727 0.8214771 38.02414       1.011293  38.43148       1.448518  37.63680       1.412529  0.6401558      1.642954  
1 1 1 11  14 44 o 41.98215 0.7286647 17.62151       0.6108305 19.00620       0.8905717 16.39140       0.8393883 3.107197       1.457329  
1 1 1 11  14 45 o 47.02782 0.7478814 22.11545       0.7020877 23.32613       1.032611  21.07461       0.9574478 2.382587       1.495763  
1 1 1 11  14 46 o 17.43792 0.9964100 3.066174       0.3465133 3.322993       0.4891345 2.807436       0.4909582 1.478666       1.992820  
1 1 1 11  14 47 f 16.94362 1.103143  2.877665       0.3727336 3.192179       0.5488214 2.608396       0.5078136 1.712620       2.206285  
1 1 1 11  14 48 o 15.73194 1.296513  2.453719       0.4033753 2.176736       0.5248189 2.853533       0.6305391 -2.117588      2.593026  
1 1 1 11  14 49 o 61.39537 1.117398  38.00839       1.371819  39.00084       1.957312  37.05020       1.923229  1.579277       2.234797  
1 1 1 11  15 0  f 160.6698 1.703658  258.2706       5.473068  255.3083       7.636061  261.4001       7.848481  -1.892380      3.407316  
1 1 1 11  15 1  o 158.1026 1.675451  250.0726       5.296487  246.8771       7.389887  253.4480       7.595053  -2.074799      3.350902  
1 1 1 11  15 2  o 253.7384 2.651448  642.9854       13.41808  618.9357       18.18385  671.7357       19.88166  -10.36108      5.302895  
1 1 1 11  15 3  f 52.68043 0.6797849 27.73625       0.7159585 28.49926       1.029756  27.02228       0.9961184 1.401604       1.359570  
1 1 1 11  15 4  o 127.1026 1.368433  161.4401       3.475137  157.4879       4.787520  165.8415       5.052337  -3.282478      2.736865  
1 1 1 11  15 5  o 90.27950 1.009112  81.52233       1.821913  81.04601       2.558574  82.01231       2.594960  -0.5347824     2.018224  
1 1 1 11  15 6  f 273.2397 2.853233  748.2262       15.58819  739.2972       21.74844  757.6596       22.35411  -3.341522      5.706465  
1 1 1 11  15 7  o 188.8344 1.988336  356.6485       7.502539  348.6956       10.35032  365.4534       10.89067  -4.425278      3.976672  
1 1 1 11  15 8  o 131.7100 1.412559  173.5707       3.720655  172.4028       5.221931  174.7751       5.302598  -0.8992615     2.825118  
1 1 1 11  15 9  o 192.1888 2.023151  369.7618       7.774518  374.5615       11.14791  365.2169       10.84789  2.423859       4.046301  
1 1 1 11  15 10 o 131.0044 1.406179  171.7431       3.684311  171.7951       5.208897  171.6909       5.211910  0.3982544E-01  2.812358  
1 1 1 11  15 11 o 168.8501 1.789458  285.2878       6.039835  280.4371       8.381068  290.5287       8.711761  -2.980133      3.578915  
1 1 1 11  15 12 o 73.87232 0.8651698 54.50261       1.276846  56.36687       1.859400  52.83905       1.756460  2.386429       1.730340  
1 1 1 11  15 13 o 169.5190 1.795077  287.7813       6.085898  287.0064       8.578151  288.5667       8.635656  -0.4585571     3.590155  
1 1 1 11  15 14 o 183.4300 1.936285  336.7776       7.098125  344.2204       10.27892  329.9930       9.813762  3.862915       3.872570  
1 1 1 11  15 15 o 151.4512 1.613002  229.6826       4.885586  228.3416       6.868849  231.0556       6.950398  -0.8935089     3.226003  
1 1 1 11  15 16 o 169.7967 1.798887  287.5237       6.084836  303.5444       9.102078  274.5789       8.181815  8.493683       3.597775  
1 1 1 11  15 17 o 108.4499 1.189067  117.7230       2.579072  118.0176       3.653728  117.4305       3.641021  0.2703476      2.378133  
1 1 1 11  15 18 o 111.4608 1.219310  123.9422       2.710647  118.9290       3.673243  129.9364       4.016593  -4.926819      2.438619  
1 1 1 11  15 19 o 85.61865 0.9787928 72.99859       1.669923  69.33543       2.248059  77.50838       2.494354  -4.765671      1.957586  
1 1 1 11  15 20 o 135.5721 1.457273  184.0224       3.948821  180.4596       5.469223  187.9021       5.707336  -2.733414      2.914546  
1 1 1 11  15 21 o 126.3215 1.671164  162.2314       4.066028  151.3690       6.599517  168.8774       5.162159  -7.011864      3.342329  
1 1 1 11  15 22 o 53.59225 1.093133  28.66937       1.169308  27.39902       1.593025  30.15335       1.721771  -2.564144      2.186267  
1 1 1 11  15 23 o 70.34898 1.133967  48.96687       1.532642  47.47717       1.904063  51.70827       2.582958  -2.973236      2.267933  
1 1 1 11  15 24 o 39.10088 0.6301042 15.29203       0.4926555 15.71817       0.7031138 14.88105       0.6904977 1.070099       1.260208  
1 1 1 11  15 25 o 51.12180 0.7008162 26.13706       0.7162380 25.64718       0.9955127 26.66275       1.031260  -0.9920273     1.401632  
1 1 1 11  15 26 o 25.20218 0.7340031 6.345670       0.3694103 5.872797       0.5118636 6.859690       0.5336685 -1.957096      1.468006  
1 1 1 11  15 27 o 47.73435 0.6866381 22.54959       0.6515421 25.20165       0.9900688 20.52375       0.8653191 4.895126       1.373276  
1 1 1 11  15 28 o 68.52257 0.8404380 47.01163       1.151772  46.85526       1.625300  47.16938       1.632427  -0.2288437     1.680876  
1 1 1 11  15 29 o 52.96269 0.7254080 27.81368       0.7639571 25.70203       1.015839  30.56281       1.159072  -4.581562      1.450816  
1 1 1 11  15 30 o 30.01545 0.6460114 8.965683       0.3863838 10.11470       0.5689416 7.982094       0.5263937 3.550554       1.292023  
1 1 1 11  15 31 o 11.54288 1.098311  1.411169       0.2299288 0.8344930      0.3233006 2.001366       0.3270690 -5.186409      2.196622  
1 1 1 11  15 32 o 73.29659 0.8858816 53.73984       1.297158  52.06541       1.783315  55.62115       1.890271  -2.417267      1.771763  
1 1 1 11  15 33 o 11.82998 1.011921  1.398690       0.2389888 1.513588       0.3492949 1.297559       0.3277000 0.9108963      2.023841  
1 1 1 11  15 34 f 66.80519 0.9922534 44.89894       1.280280  45.30405       1.617184  44.21871       2.095571  0.8617172      1.984507  
1 1 1 11  15 35 o 34.78939 0.8086764 12.08618       0.5616809 11.26811       0.7693431 13.01993       0.8219361 -2.512966      1.617353  
1 1 1 11  15 36 o 57.70398 0.9397617 33.43059       1.069776  33.20507       1.652091  33.59341       1.403829  -0.3648605     1.879523  
1 1 1 11  15 37 o 85.20997 0.9979430 72.68053       1.697597  69.76492       2.317056  76.05913       2.494254  -3.669968      1.995886  
1 1 1 11  15 38 f 52.39015 0.7412868 27.46480       0.7760392 28.47315       1.126792  26.55493       1.070352  1.824978       1.482574  
1 1 1 11  15 39 o 20.76551 0.7581244 4.316648       0.3143977 4.421421       0.4592985 4.224269       0.4312744 0.4716148      1.516249  
1 1 1 11  15 40 o 22.83802 1.420992  5.277316       0.6446213 5.110545       0.9609248 5.413776       0.8692219 -0.6836758     2.841983  
1 1 1 11  15 41 o 26.03213 0.7457510 6.801534       0.3877945 7.167900       0.5473095 6.432168       0.5495459 1.413410       1.491502  
1 1 1 11  15 42 o 84.45900 1.006844  71.68938       1.700494  71.96168       2.427619  71.42706       2.382734  0.3085175      2.013689  
1 1 1 11  15 43 o 49.88820 0.7565604 24.89251       0.7537315 26.30134       1.103299  23.65957       1.032131  2.637714       1.513121  
1 1 1 11  15 44 o 52.26720 0.7778192 27.39406       0.8126930 27.95351       1.171642  26.87531       1.128230  1.024708       1.555638  
1 1 1 11  15 45 f 7.131674 1.603351  0.3740557      0.3051743 -0.1341238     0.4236396 0.9222130      0.4399877 -4.420947      3.206703  
1 1 1 11  15 46 o 49.99689 0.9140723 24.87827       0.8968175 26.38595       1.430079  23.90102       1.151345  2.428795       1.828145  
1 1 1 11  15 47 o 11.54925 1.689021  1.375064       0.3748724 1.139588       0.4921384 1.700540       0.5785920 -2.354751      3.378041  
1 1 1 11  15 48 f 6.783682 1.849365  0.3140641      0.3526021 0.2880590      0.4649187 0.3492756      0.5409916 -0.5480261     3.698730  
1 1 1 11  15 49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  16 0  o 131.9528 1.990542  174.1332       5.248411  178.6199       7.619233  170.0821       7.240026  3.227066       3.981085  
1 1 1 11  16 1  o 294.3551 3.758691  871.7161       20.93784  865.5279       35.91965  874.9009       25.76843  -2.000916      7.517383  
1 1 1 11  16 2  o 143.8633 1.536364  207.1110       4.420373  208.0165       6.282909  206.2236       6.220265  0.6220551      3.072729  
1 1 1 11  16 3  o 48.65810 0.6595941 23.66183       0.6415865 23.13277       0.8907005 24.23236       0.9249489 -1.129658      1.319188  
1 1 1 11  16 4  o 248.4924 2.599169  618.7761       12.91635  623.3423       18.41245  614.3519       18.12392  1.800369       5.198338  
1 1 1 11  16 5  o 52.21321 0.7608151 25.40751       0.7417842 32.51242       1.373828  22.48382       0.8812891 9.599056       1.521630  
1 1 1 11  16 6  o 156.2185 1.658508  244.1979       5.180377  241.1348       7.225807  247.4372       7.430810  -2.013000      3.317017  
1 1 1 11  16 7  o 302.8625 3.162606  920.6041       19.15612  924.7875       27.21805  916.4981       26.96541  1.358093       6.325212  
1 1 1 11  16 8  f 115.2483 1.253444  132.6606       2.884974  137.2444       4.218852  128.6343       3.953956  3.730774       2.506888  
1 1 1 11  16 9  o 122.1022 1.320037  149.1749       3.223133  147.7626       4.512819  150.6455       4.604976  -1.178688      2.640074  
1 1 1 11  16 10 o 126.3097 1.362630  159.3230       3.436289  165.3790       5.041902  154.0699       4.695827  4.469246       2.725260  
1 1 1 11  16 11 o 43.96466 0.6471037 19.32784       0.5689222 19.67234       0.8122038 18.99599       0.7971621 0.7690315      1.294207  
1 1 1 11  16 12 o 55.69645 0.7180287 30.62837       0.7931756 28.08393       1.042815  34.12096       1.221758  -5.417294      1.436057  
1 1 1 11  16 13 o 77.58723 0.9001688 60.22547       1.396831  60.19793       1.973765  60.25310       1.977073  -0.3549194E-01 1.800338  
1 1 1 11  16 14 o 53.95736 0.7068977 29.07336       0.7619787 28.12940       1.047551  30.13399       1.110394  -1.856590      1.413795  
1 1 1 11  16 15 o 33.03262 0.5984635 10.82277       0.3936889 9.869127       0.5284889 12.01179       0.5901150 -3.242376      1.196927  
1 1 1 11  16 16 o 67.19234 0.8133293 45.16802       1.092955  45.45928       1.553232  44.88236       1.538223  0.4289932      1.626659  
1 1 1 11  16 17 o 127.1751 1.374009  161.3743       3.483869  154.6631       4.708683  169.4920       5.178649  -5.810867      2.748017  
1 1 1 11  16 18 o 83.51895 0.9569916 69.70718       1.596719  67.71384       2.195598  71.94485       2.326266  -2.528877      1.913983  
1 1 1 11  16 19 o 90.58920 1.486845  82.15583       2.691800  80.20658       3.720092  84.29799       3.899827  -2.249084      2.973691  
1 1 1 11  16 20 o 25.66637 1.153591  6.454780       0.5857114 5.473753       0.7672470 7.825035       0.9067671 -4.574375      2.307182  
1 1 1 11  16 21 o 99.51720 1.202640  98.76360       2.352876  96.84287       3.044487  101.6121       3.707590  -2.361633      2.405279  
1 1 1 11  16 22 o 93.82873 1.056826  87.51543       1.972033  82.43167       2.625908  94.09132       2.986513  -6.195908      2.113652  
1 1 1 11  16 23 o 76.69075 0.9026353 58.87763       1.384441  59.21700       1.966388  58.54406       1.949513  0.4380112      1.805271  
1 1 1 11  16 24 o 59.83527 0.8204926 35.94139       0.9786781 37.51574       1.350192  34.19854       1.420611  2.774940       1.640985  
1 1 1 11  16 25 o 51.40586 0.7115550 26.44668       0.7315241 26.78788       1.035516  26.10678       1.033549  0.6623917      1.423110  
1 1 1 11  16 26 o 45.25745 0.6787057 20.48480       0.6140685 20.06883       0.8533693 20.93148       0.8843048 -0.9518280     1.357411  
1 1 1 11  16 27 o 41.24444 0.6578141 16.98134       0.5418278 16.23515       0.7420876 17.83335       0.7929602 -1.935249      1.315628  
1 1 1 11  16 28 o 18.98344 0.7274768 3.592669       0.2685215 2.546361       0.3632892 4.852669       0.3986650 -6.072763      1.454954  
1 1 1 11  16 29 o 53.75633 0.7351784 28.78178       0.7880309 30.85480       1.171373  27.06790       1.065083  3.516464       1.470357  
1 1 1 11  16 30 o 38.55391 0.6584260 14.78760       0.5061235 13.61781       0.6847377 16.19638       0.7514360 -3.340469      1.316852  
1 1 1 11  16 31 o 54.46510 0.7449379 29.63181       0.8103125 31.12243       1.185136  28.32323       1.110420  2.564716       1.489876  
1 1 1 11  16 32 o 76.36267 0.9163743 58.39751       1.398590  59.89760       2.023609  57.02566       1.935164  1.872253       1.832749  
1 1 1 11  16 33 o 29.72428 0.6586289 8.846650       0.3915401 8.821852       0.5520125 8.871756       0.5554461 -0.8370399E-01 1.317258  
1 1 1 11  16 34 o 36.76819 0.6713750 13.53879       0.4936926 13.42303       0.6979434 13.65471       0.6984306 -0.3150101     1.342750  
1 1 1 11  16 35 f 15.15353 0.9375558 2.402116       0.2634031 1.367585       0.3687489 3.479936       0.3763850 -6.969010      1.875112  
1 1 1 11  16 36 o 45.09105 0.8115557 20.02633       0.7062384 19.09469       0.8799431 21.71284       1.183924  -2.870491      1.623111  
1 1 1 11  16 37 o 69.78542 1.165366  48.89115       1.625002  50.42505       2.360827  47.51009       2.240121  2.069221       2.330733  
1 1 1 11  16 38 o 42.21048 2.107038  0.000000       0.000000  ?              ?         17.98037       1.778782  ?              ?         
1 1 1 11  16 39 o 33.89544 0.6855704 11.38046       0.4620000 12.83613       0.7006348 10.26058       0.6145329 3.790237       1.371141  
1 1 1 11  16 40 o 25.06676 0.7254688 6.315646       0.3618849 5.560905       0.5095188 7.083951       0.5140768 -3.037415      1.450938  
1 1 1 11  16 41 o 30.91381 0.6945146 9.581141       0.4293012 9.342827       0.6071576 9.819403       0.6070895 -0.7708225     1.389029  
1 1 1 11  16 42 o 38.34665 0.7999432 14.90878       0.6027889 15.70869       0.7951640 13.82803       0.9242749 2.471039       1.599886  
1 1 1 11  16 43 o 47.39280 0.7794705 22.49389       0.7351740 22.96459       1.100603  22.11466       0.9878917 0.8792191      1.558941  
1 1 1 11  16 44 o 33.00557 0.8296535 10.91790       0.5446412 11.14182       0.8178508 10.73946       0.7300785 0.5937462      1.659307  
1 1 1 11  16 45 o 27.90530 0.9240326 7.697684       0.5112494 6.802358       0.6721274 8.926897       0.7875435 -3.783163      1.848065  
1 1 1 11  16 46 o 46.38333 0.9707153 21.65574       0.9001762 22.24508       1.270083  21.06087       1.276021  1.277908       1.941431  
1 1 1 11  16 47 o 13.45911 1.510576  1.802500       0.3860202 1.277184       0.5010252 2.569825       0.6055337 -4.939800      3.021152  
1 1 1 11  16 48 o 40.77953 1.374829  0.000000       0.000000  ?              ?         16.74180       1.121298  ?              ?         
1 1 1 11  17 0  o 173.7921 1.838177  302.1180       6.384069  295.9022       8.819822  308.9586       9.252593  -3.746445      3.676353  
1 1 1 11  17 1  o 204.1612 2.623300  417.8579       10.10825  417.8731       12.39335  417.8277       17.47052  0.1782074      5.246600  
1 1 1 11  17 2  o 62.99969 1.036972  39.38476       1.299348  36.82726       1.730270  42.69211       1.967641  -4.651424      2.073945  
1 1 1 11  17 3  f 169.6810 2.526376  288.6081       8.572956  290.4675       12.21072  286.8006       12.03908  1.074585       5.052752  
1 1 1 11  17 4  o 150.0236 2.245126  224.2990       6.706366  238.1244       10.07207  213.2880       8.988607  8.242340       4.490252  
1 1 1 11  17 5  o 115.4927 1.535722  131.8165       3.298622  138.1288       5.932847  128.9921       3.968568  3.910385       3.071444  
1 1 1 11  17 6  o 244.0610 2.556190  597.3488       12.47659  600.8864       17.76026  593.9019       17.53110  1.421677       5.112381  
1 1 1 11  17 7  o 143.8018 1.537632  206.5980       4.415000  213.9187       6.470581  200.2209       6.039221  4.752029       3.075264  
1 1 1 11  17 8  o 74.51733 0.8736461 55.52753       1.301701  56.43702       1.866857  54.66695       1.815965  1.186943       1.747292  
1 1 1 11  17 9  o 145.8283 1.557898  212.3680       4.534076  221.0745       6.678619  204.9245       6.175229  5.523132       3.115795  
1 1 1 11  17 10 o 24.38818 0.5900091 5.950299       0.2877191 5.828291       0.4080380 6.070950       0.4057641 -0.4975204     1.180018  
1 1 1 11  17 11 o 144.7830 1.546861  208.8974       4.460905  199.2304       5.992833  220.9099       6.680366  -7.463730      3.093721  
1 1 1 11  17 12 o 32.61295 0.6064330 10.63586       0.3954284 10.26747       0.5547672 11.01632       0.5637822 -1.147972      1.212866  
1 1 1 11  17 13 f 246.6171 2.590008  611.0692       12.77468  612.8380       18.11389  609.3190       18.01875  0.7072906      5.180017  
1 1 1 11  17 14 o 173.2657 1.836320  300.9795       6.362972  299.1640       8.935515  302.8471       9.063042  -1.056351      3.672639  
1 1 1 11  17 15 o 152.7917 1.630283  233.8914       4.980113  237.6178       7.158232  230.3959       6.933051  2.352005       3.260567  
1 1 1 11  17 16 o 62.69963 1.171427  38.63023       1.451517  34.85597       1.883890  44.14424       2.277056  -7.391701      2.342854  
1 1 1 11  17 17 o 16.12444 1.770064  2.814562       0.5223366 3.776447       0.7160244 1.720417       0.7636661 6.585210       3.540128  
1 1 1 11  17 18 o 125.9371 1.782625  158.9196       4.381968  158.1243       5.608961  160.1652       7.019848  -0.7153397     3.565250  
1 1 1 11  17 19 o 99.56231 1.110756  99.18651       2.210269  101.5826       3.198246  96.99592       3.058051  2.296692       2.221512  
1 1 1 11  17 20 o 38.55758 0.6377993 14.49509       0.4851105 12.58578       0.6264695 17.35461       0.7666702 -6.179985      1.275599  
1 1 1 11  17 21 o 90.14170 1.022639  81.09274       1.838876  77.75146       2.494450  85.06991       2.721484  -4.048386      2.045278  
1 1 1 11  17 22 o 74.70018 0.9616742 55.95335       1.425742  56.52432       1.907393  55.23040       2.146289  0.8777542      1.923348  
1 1 1 11  17 23 o 17.13011 0.7113038 2.937981       0.2427931 3.277019       0.3475886 2.614949       0.3392846 1.932156       1.422608  
1 1 1 11  17 24 o 82.14789 0.9562182 67.58099       1.571022  67.63666       2.219694  67.52514       2.223832  0.6809235E-01  1.912436  
1 1 1 11  17 25 o 51.20925 0.7073922 26.14598       0.7227226 24.86751       0.9809690 27.66376       1.068844  -2.726353      1.414784  
1 1 1 11  17 26 o 17.68045 0.7020614 3.129455       0.2481190 2.997407       0.3495996 3.263475       0.3522014 -0.7523098     1.404123  
1 1 1 11  17 27 o 38.02045 0.6465785 14.31600       0.4889789 12.97916       0.6518037 16.03683       0.7395121 -4.017090      1.293157  
1 1 1 11  17 28 o 30.91438 0.6361043 9.475524       0.3913737 10.79911       0.5855703 8.406900       0.5261567 3.866108       1.272209  
1 1 1 11  17 29 o 67.22595 0.8392889 45.25492       1.128226  44.50904       1.576897  46.03717       1.614887  -1.133850      1.678578  
1 1 1 11  17 30 f 21.37329 0.6981490 4.514227       0.2957298 5.472177       0.4449699 3.756340       0.3957874 4.010775       1.396298  
1 1 1 11  17 31 o 33.81805 0.6591501 11.44873       0.4457698 11.29598       0.6245214 11.60739       0.6364760 -0.4595909     1.318300  
1 1 1 11  17 32 o 76.56981 0.9225220 58.71725       1.411632  60.31575       2.046255  57.26571       1.949924  1.982140       1.845044  
1 1 1 11  17 33 o 37.45303 0.6749772 14.04507       0.5055409 14.28547       0.7213898 13.81307       0.7086655 0.6296654      1.349954  
1 1 1 11  17 34 o 72.50564 0.8933669 52.53775       1.292601  55.39013       1.907336  50.11500       1.757832  3.620987       1.786734  
1 1 1 11  17 35 o 21.65159 0.7320883 4.694731       0.3167494 4.430105       0.4425802 4.972605       0.4535227 -1.251720      1.464177  
1 1 1 11  17 36 o 45.59248 1.161824  20.93043       1.057573  19.74582       1.507261  22.07918       1.484271  -2.562626      2.323648  
1 1 1 11  17 37 o 51.70473 0.7466851 26.79576       0.7720256 26.77374       1.101215  26.81705       1.082640  -0.4390335E-01 1.493370  
1 1 1 11  17 38 o 45.00062 0.8101186 20.46292       0.7177549 21.27822       0.9467694 19.36107       1.100636  2.149250       1.620237  
1 1 1 11  17 39 f 23.55583 0.8539688 5.572422       0.4020175 5.359328       0.5710431 5.781816       0.5660667 -0.8975163     1.707938  
1 1 1 11  17 40 o 30.10520 0.7925944 9.137228       0.4725820 8.733964       0.7110318 9.456335       0.6325032 -1.210678      1.585189  
1 1 1 11  17 41 o 44.36292 0.7509583 19.55353       0.6584564 20.90576       1.025674  18.60553       0.8587897 2.569355       1.501917  
1 1 1 11  17 42 o 34.55109 0.7478317 11.98667       0.5161910 11.67224       0.7415224 12.28229       0.7190068 -0.8861732     1.495663  
1 1 1 11  17 43 o 10.66529 1.395446  1.101182       0.2844203 1.875971       0.4575639 0.6133124      0.3630878 5.945381       2.790892  
1 1 1 11  17 44 o 20.66470 1.021828  4.317389       0.4202409 4.567986       0.5779248 4.036211       0.6121738 1.294359       2.043656  
1 1 1 11  17 45 f 9.828179 1.643270  1.017895       0.3587419 1.658756       0.4962319 0.3162714      0.5192242 5.943408       3.286540  
1 1 1 11  17 46 o 19.71576 1.089049  3.861568       0.4257456 3.486787       0.5591497 4.378602       0.6567478 -2.234905      2.178098  
1 1 1 11  17 47 o 37.31679 1.351740  0.000000       0.000000  ?              ?         14.01539       1.008852  ?              ?         
1 1 1 11  18 0  o 136.8415 1.467981  187.4228       4.017357  188.6831       5.720474  186.1963       5.643116  0.9068451      2.935962  
1 1 1 11  18 1  o 49.36568 0.6786720 23.94379       0.6633689 27.54437       1.030867  21.39898       0.8666491 6.222557       1.357344  
1 1 1 11  18 2  o 81.48152 0.9363128 66.39874       1.525438  65.57819       2.128150  67.26584       2.187672  -1.034706      1.872626  
1 1 1 11  18 3  o 65.52602 0.7972204 42.86711       1.043330  41.46637       1.430558  44.45877       1.524943  -2.282112      1.594441  
1 1 1 11  18 4  o 97.10357 1.291757  95.46018       2.429503  99.05108       3.105861  89.79892       3.899761  4.781769       2.583513  
1 1 1 11  18 5  o 108.8252 1.659817  117.9586       3.597244  125.3143       5.395402  112.0722       4.826540  6.066551       3.319635  
1 1 1 11  18 6  o 115.8095 1.756193  134.0685       4.060688  138.9753       5.956189  129.8072       5.550601  3.944046       3.512386  
1 1 1 11  18 7  o 71.02473 1.140590  50.46718       1.619779  49.75738       2.259656  51.21739       2.323086  -1.026268      2.281180  
1 1 1 11  18 8  o 131.9899 1.724292  175.0114       4.329963  173.0119       7.340278  176.0784       5.362296  -1.237213      3.448584  
1 1 1 11  18 9  f 121.5434 1.318247  147.7878       3.202521  144.9055       4.436691  150.9233       4.627425  -2.469666      2.636494  
1 1 1 11  18 10 o 59.57552 0.7537369 34.98529       0.8895257 31.93023       1.164045  39.27328       1.379073  -6.158722      1.507474  
1 1 1 11  18 11 o 74.34804 0.8754504 55.27182       1.301170  56.51158       1.874896  54.11993       1.807235  1.606789       1.750901  
1 1 1 11  18 12 o 221.5815 2.883306  491.2722       11.90313  503.2672       21.20923  485.7570       14.38159  3.366638       5.766613  
1 1 1 11  18 13 o 129.2681 2.004419  167.7175       5.182120  168.1115       7.343371  167.3267       7.313965  0.3016815      4.008838  
1 1 1 11  18 14 o 88.09328 1.461150  77.29623       2.563518  82.71149       3.845855  72.96637       3.438906  5.511063       2.922300  
1 1 1 11  18 15 o 153.9989 2.048355  233.9986       5.775368  228.0714       6.857008  248.4677       10.71348  -6.346954      4.096711  
1 1 1 11  18 16 o 16.09797 0.6774027 2.593666       0.2179471 2.477403       0.3076575 2.710788       0.3087930 -0.7248583     1.354805  
1 1 1 11  18 17 f 132.9697 1.559110  176.3438       4.069714  182.4675       6.450309  172.2940       5.245577  3.743271       3.118220  
1 1 1 11  18 18 o 171.3773 1.977653  293.6789       6.657771  287.4354       8.597445  303.0316       10.52264  -4.377609      3.955305  
1 1 1 11  18 19 o 46.52004 0.6741814 21.21190       0.6203461 24.84098       0.9684253 18.68653       0.8078493 6.609676       1.348363  
1 1 1 11  18 20 o 94.70757 1.471477  89.93852       2.786427  91.44473       3.998326  88.51626       3.885311  1.537605       2.942954  
1 1 1 11  18 21 o 104.8767 1.165995  110.0587       2.443047  113.4843       3.556894  106.9994       3.361370  3.079437       2.331990  
1 1 1 11  18 22 o 42.74722 0.6585534 18.26792       0.5627443 19.02092       0.8098879 17.56499       0.7824998 1.701958       1.317107  
1 1 1 11  18 23 o 128.8680 1.397933  166.6223       3.602938  167.0784       5.109586  166.1713       5.081181  0.3495026      2.795866  
1 1 1 11  18 24 o 62.39287 0.7910244 38.72171       0.9831952 41.83580       1.472630  36.21721       1.320649  4.494362       1.582049  
1 1 1 11  18 25 o 79.26498 0.9312174 62.91647       1.475899  62.04220       2.059832  63.83886       2.115763  -1.129669      1.862435  
1 1 1 11  18 26 o 44.01524 0.6801016 19.35840       0.5978715 18.78271       0.8199751 20.01188       0.8736070 -1.393566      1.360203  
1 1 1 11  18 27 o 59.44343 0.7748698 35.38486       0.9212183 35.39888       1.303327  35.37085       1.302273  0.2350998E-01  1.549740  
1 1 1 11  18 28 o 56.20228 0.7551918 31.26555       0.8432189 34.88430       1.286393  28.53931       1.116546  5.633389       1.510384  
1 1 1 11  18 29 o 22.80408 0.6817530 5.160652       0.3092866 5.960179       0.4607099 4.504697       0.4172994 3.188347       1.363506  
1 1 1 11  18 30 o 33.31897 0.6611158 11.05522       0.4393354 10.12832       0.5970886 12.14946       0.6487495 -3.029438      1.322232  
1 1 1 11  18 31 f 48.79480 0.7213354 23.74455       0.7021545 22.43704       0.9523022 25.30216       1.039397  -2.928940      1.442671  
1 1 1 11  18 32 f 120.0990 1.327349  145.0414       3.187365  142.9957       4.444330  147.2079       4.573681  -1.733177      2.654698  
1 1 1 11  18 33 o 74.43126 0.9129296 55.37091       1.355588  58.25725       2.005434  52.94251       1.839481  3.550758       1.825859  
1 1 1 11  18 34 f 68.12728 1.320827  46.70581       1.799308  47.58511       2.577176  45.86959       2.513239  1.247620       2.641655  
1 1 1 11  18 35 f 26.55265 0.7084809 7.016917       0.3745626 6.170413       0.5087372 8.018989       0.5535140 -3.476507      1.416962  
1 1 1 11  18 36 o 35.73896 0.6822986 12.69285       0.4855559 13.97183       0.7292923 11.67450       0.6507581 3.206192       1.364597  
1 1 1 11  18 37 o 24.79889 0.7166452 6.168081       0.3545989 5.635553       0.4979450 6.715998       0.5050884 -2.177607      1.433290  
1 1 1 11  18 38 o 19.19895 0.8089812 3.652328       0.3083440 4.332345       0.4637748 3.113601       0.4127927 3.166800       1.617962  
1 1 1 11  18 39 o 32.11790 0.7006337 10.28179       0.4486763 11.13063       0.6670104 9.580286       0.6063646 2.406002       1.401267  
1 1 1 11  18 40 o 20.85864 0.8743505 4.372153       0.3591443 5.437316       0.5221395 3.415700       0.4947779 4.841589       1.748701  
1 1 1 11  18 41 o 18.67265 0.9612051 3.493567       0.3579502 3.885985       0.5212122 3.143267       0.4924477 1.983286       1.922410  
1 1 1 11  18 42 f 17.15288 1.035602  2.989210       0.3478900 2.267649       0.4860621 3.747081       0.4981419 -4.309811      2.071205  
1 1 1 11  18 43 o 12.87129 1.299657  1.681362       0.3196881 2.189642       0.4763640 1.264865       0.4312147 3.732468       2.599315  
1 1 1 11  18 44 o 20.65685 0.9502129 4.324747       0.3894462 3.794257       0.5601113 4.821231       0.5418621 -2.489832      1.900426  
1 1 1 11  18 45 f 6.165785 1.930538  -0.3029252     0.4941766 0.1027996      0.6624917 -0.8118621     0.7419876 1.378536       3.861076  
1 1 1 11  18 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  19 0  o 65.96028 0.8034907 42.83553       1.049044  48.31137       1.632875  38.98689       1.368927  7.063816       1.606981  
1 1 1 11  19 1  o 62.50768 0.7778559 39.08190       0.9722860 38.84281       1.361257  39.33092       1.389210  -0.3899689     1.555712  
1 1 1 11  19 2  o 70.37254 0.8423769 49.38890       1.182946  47.34353       1.608816  51.79630       1.745396  -3.161171      1.684754  
1 1 1 11  19 3  o 50.48394 0.6876677 25.39003       0.6926119 24.06314       0.9399698 26.96623       1.024480  -2.873947      1.375335  
1 1 1 11  19 4  o 79.64001 0.9215585 63.17919       1.462990  60.20854       1.974061  66.79884       2.179054  -4.133148      1.843117  
1 1 1 11  19 5  o 107.0237 1.176553  114.6280       2.518043  115.9077       3.597118  113.3985       3.526047  1.170227       2.353107  
1 1 1 11  19 6  o 105.4987 1.162994  111.4085       2.453884  111.6337       3.472231  111.1839       3.468404  0.2130508      2.325988  
1 1 1 11  19 7  o 124.5294 1.349781  155.0979       3.358106  151.3349       4.622185  159.3046       4.887032  -3.190140      2.699562  
1 1 1 11  19 8  o 219.1276 2.841963  478.4840       11.56838  470.3506       13.92233  496.6242       20.79195  -5.431046      5.683926  
1 1 1 11  19 9  f 89.38831 1.971126  0.000000       0.000000  ?              ?         80.04022       3.523911  ?              ?         
1 1 1 11  19 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  19 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  19 12 o 117.8603 1.550622  140.1547       3.504577  135.9815       5.810378  142.5410       4.393785  -2.859131      3.101245  
1 1 1 11  19 13 o 114.9379 1.260193  132.2889       2.895952  130.5542       4.035035  134.1316       4.158755  -1.550209      2.520387  
1 1 1 11  19 14 o 106.1934 1.174364  112.3788       2.484070  106.9200       3.336831  119.1646       3.720398  -5.745926      2.348727  
1 1 1 11  19 15 o 66.95708 0.8202912 44.83718       1.097858  43.93173       1.521807  45.81982       1.585352  -1.407593      1.640582  
1 1 1 11  19 16 o 152.3166 2.337458  233.6590       7.120597  234.2187       10.09802  233.1055       10.04230  0.3593903      4.674916  
1 1 1 11  19 17 o 152.1656 1.629650  232.3781       4.959334  231.1743       6.976290  233.6080       7.051430  -0.7937469     3.259300  
1 1 1 11  19 18 o 56.06873 0.9635034 31.45302       1.079857  32.26207       1.558992  30.70686       1.497180  1.383808       1.927007  
1 1 1 11  19 19 o 125.6443 1.367687  158.3150       3.436838  158.3391       4.857512  158.2909       4.863339  0.1963806E-01  2.735373  
1 1 1 11  19 20 o 100.1928 1.121207  100.4925       2.245187  102.9743       3.249082  98.22440       3.106089  2.361427       2.242415  
1 1 1 11  19 21 o 61.34876 0.7813241 37.67140       0.9586067 38.13749       1.364592  37.21730       1.346930  0.7491341      1.562648  
1 1 1 11  19 22 o 72.09376 0.8694519 52.02636       1.253284  53.04418       1.798902  51.06635       1.747057  1.368652       1.738904  
1 1 1 11  19 23 o 70.13184 0.8556722 48.77392       1.191882  45.40242       1.576861  53.26727       1.820399  -5.592567      1.711344  
1 1 1 11  19 24 o 91.00087 1.040298  82.98734       1.893211  83.74422       2.698113  82.25323       2.657165  0.8160934      2.080595  
1 1 1 11  19 25 o 79.42425 0.9370350 62.59336       1.478072  58.30836       1.955122  68.30920       2.258075  -6.272736      1.874070  
1 1 1 11  19 26 o 28.45665 0.6446314 8.105431       0.3668458 8.064763       0.5147156 8.147413       0.5229796 -0.1447582     1.289263  
1 1 1 11  19 27 o 72.04004 0.8765138 51.97419       1.262390  53.06659       1.816515  50.95380       1.755619  1.461334       1.753028  
1 1 1 11  19 28 o 42.61364 0.6873570 18.18521       0.5857802 18.27456       0.8251514 18.09443       0.8317243 0.2118187      1.374714  
1 1 1 11  19 29 o 43.98278 0.6880910 19.31632       0.6042356 18.44411       0.8253291 20.32385       0.8870410 -2.132362      1.376182  
1 1 1 11  19 30 o 81.04530 0.9606193 65.75906       1.554974  63.66911       2.132955  68.12983       2.271731  -2.736656      1.921239  
1 1 1 11  19 31 o 43.86742 0.9583352 19.50115       0.7526398 18.86262       1.416857  19.75215       0.8883388 -1.074459      1.916670  
1 1 1 11  19 32 o 19.22669 1.820282  3.740444       0.6995211 3.688007       0.9695590 3.797373       1.010239  -0.2746162     3.640565  
1 1 1 11  19 33 o 56.56805 0.7784685 32.01853       0.8797434 30.94482       1.209669  33.22401       1.281748  -2.006897      1.556937  
1 1 1 11  19 34 o 35.70206 0.6849247 12.75200       0.4885588 13.59376       0.7048041 11.97342       0.6778376 2.266598       1.369849  
1 1 1 11  19 35 o 46.65522 0.7325649 21.81412       0.6835271 22.10010       0.9714003 21.53366       0.9619752 0.6060333      1.465130  
1 1 1 11  19 36 f 25.52780 0.7289857 6.513642       0.3708052 5.763657       0.5106975 7.349873       0.5392632 -3.103432      1.457971  
1 1 1 11  19 37 o 17.78155 0.8242186 3.105664       0.2892147 3.923738       0.4436137 2.500900       0.3814186 3.991907       1.648437  
1 1 1 11  19 38 f 16.50569 0.8809261 2.741877       0.2881262 2.682131       0.4355808 2.788356       0.3841855 -0.3297977     1.761852  
1 1 1 11  19 39 f 46.44203 0.8709218 21.12304       0.7908015 24.13939       1.290630  19.30988       1.000640  5.151409       1.741844  
1 1 1 11  19 40 o 30.99333 0.8372028 9.622458       0.5183682 10.14257       0.7546772 9.157892       0.7132429 1.581591       1.674406  
1 1 1 11  19 41 o 41.78476 0.8985952 17.50354       0.7499447 16.66169       1.028866  18.45784       1.095424  -2.135998      1.797190  
1 1 1 11  19 42 o 34.29470 0.8526484 11.81311       0.5846378 11.88023       0.8385458 11.74962       0.8155397 0.1860771      1.705297  
1 1 1 11  19 43 o 46.42590 0.9322572 21.63302       0.8646006 22.64964       1.260560  20.72991       1.188113  2.051529       1.864514  
1 1 1 11  19 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  19 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  20 0  o 134.1028 1.444090  180.1014       3.872717  178.6552       5.429524  181.5991       5.525434  -1.093872      2.888180  
1 1 1 11  20 1  o 32.73473 0.6108264 10.52708       0.3963080 9.151456       0.5213517 12.40996       0.6099467 -4.975622      1.221653  
1 1 1 11  20 2  o 46.30070 0.6656665 21.41898       0.6160322 22.26581       0.8900627 20.64032       0.8534900 1.754658       1.331333  
1 1 1 11  20 3  o 178.7344 1.893463  320.0165       6.761113  329.0157       9.841953  311.9742       9.304021  4.736511       3.786927  
1 1 1 11  20 4  f 36.01534 0.6128141 12.93023       0.4406450 13.89014       0.6453335 12.09176       0.6031368 2.495884       1.225628  
1 1 1 11  20 5  f 177.1625 2.330046  311.3340       7.614717  326.0359       13.89324  305.0212       9.103931  5.573685       4.660092  
1 1 1 11  20 6  o 57.09040 1.131975  32.27438       1.285164  36.30583       1.945838  29.15512       1.711602  6.253784       2.263949  
1 1 1 11  20 7  o 163.9647 2.494122  270.4443       8.178850  271.3864       11.60329  269.5140       11.53034  0.5648041      4.988244  
1 1 1 11  20 8  o 46.66203 0.8962300 20.70188       0.7161191 19.76252       0.8139871 23.91881       1.506336  -4.432362      1.792460  
1 1 1 11  20 9  o 174.0383 1.847130  303.9427       6.428734  301.5409       9.012832  306.4302       9.172475  -1.393677      3.694260  
1 1 1 11  20 10 o 67.62353 0.8226088 45.52560       1.108077  43.26099       1.488615  48.33953       1.659370  -3.749298      1.645218  
1 1 1 11  20 11 o 11.72031 0.8300629 1.378388       0.1940027 1.269144       0.2762323 1.484723       0.2725276 -0.9198151     1.660126  
1 1 1 11  20 12 o 99.54977 1.535105  99.36153       3.055428  98.00056       4.257590  100.8067       4.387387  -1.400467      3.070210  
1 1 1 11  20 13 o 85.30563 1.339749  72.82555       2.282992  75.18639       3.329149  70.72974       3.136713  2.600266       2.679498  
1 1 1 11  20 14 o 101.8816 3.167206  0.000000       0.000000  ?              ?         104.5069       6.453603  ?              ?         
1 1 1 11  20 15 o 69.72129 2.266072  48.78947       3.159869  48.78947       3.159869  ?              ?         ?              ?         
1 1 1 11  20 16 o 77.39500 0.9144908 59.92885       1.414727  58.68435       1.960893  61.27988       2.043092  -1.672806      1.828982  
1 1 1 11  20 17 o 21.60656 0.6505654 4.559726       0.2751134 6.136274       0.4232220 3.406042       0.3620411 6.315914       1.301131  
1 1 1 11  20 18 o 75.67310 0.9001281 57.30687       1.361837  58.53883       1.957760  56.15189       1.895600  1.573944       1.800256  
1 1 1 11  20 19 o 101.8797 1.139312  104.0322       2.321451  104.0362       3.279814  104.0282       3.286250  0.4402161E-02  2.278624  
1 1 1 11  20 20 o 50.67744 0.7057190 25.67723       0.7145955 25.06721       0.9850566 26.35485       1.038219  -1.267838      1.411438  
1 1 1 11  20 21 o 60.10117 0.7774461 36.05138       0.9325214 34.51336       1.269331  37.85484       1.374508  -2.774151      1.554892  
1 1 1 11  20 22 o 64.82128 0.8138151 41.80894       1.050331  39.41536       1.406843  44.82328       1.578764  -4.161133      1.627630  
1 1 1 11  20 23 o 32.69797 0.6426591 10.67879       0.4198185 10.16799       0.5780264 11.24907       0.6107501 -1.651411      1.285318  
1 1 1 11  20 24 f 83.21390 0.9747612 69.25460       1.619604  66.92953       2.214962  71.92612       2.374258  -2.988930      1.949522  
1 1 1 11  20 25 o 49.49893 0.7115878 24.53560       0.7044145 24.78747       0.9947013 24.28222       0.9976907 0.5105629      1.423176  
1 1 1 11  20 26 o 74.76971 0.9034259 55.94154       1.349204  54.27289       1.851631  57.83032       1.969989  -2.367958      1.806852  
1 1 1 11  20 27 o 73.07114 0.8910825 53.50391       1.302024  54.43172       1.862531  52.61716       1.820857  1.237709       1.782165  
1 1 1 11  20 28 o 7.264909 1.201394  0.5192366      0.2036723 0.5677326E-01  0.2875262 0.9849954      0.2885488 -5.286238      2.402787  
1 1 1 11  20 29 o 65.15845 1.279070  42.58942       1.664510  40.79062       2.281286  44.63726       2.434081  -2.928284      2.558140  
1 1 1 11  20 30 o 55.50320 1.024774  30.94865       1.026509  30.98168       1.214180  30.86590       1.922009  0.1953392      2.049548  
1 1 1 11  20 31 o 43.43383 0.7066288 18.81847       0.6124886 20.34380       0.9016060 17.51129       0.8346437 3.254314       1.413258  
1 1 1 11  20 32 o 61.48609 0.8116505 37.87204       0.9975737 36.97255       1.383471  38.84623       1.439778  -1.517296      1.623301  
1 1 1 11  20 33 o 18.65330 0.7902896 3.486863       0.2926712 4.077125       0.4231370 2.945472       0.4052420 3.031332       1.580579  
1 1 1 11  20 34 o 31.82437 0.6954198 10.12862       0.4421729 9.659999       0.6091983 10.65037       0.6428083 -1.552412      1.390840  
1 1 1 11  20 35 o 34.57339 0.6981539 11.94126       0.4819276 12.86220       0.7046172 11.13177       0.6606067 2.497303       1.396308  
1 1 1 11  20 36 o 56.85431 0.7956383 32.38913       0.9040821 31.46066       1.250383  33.40628       1.308743  -1.702866      1.591277  
1 1 1 11  20 37 o 21.99471 0.7793101 4.891371       0.3400446 4.327454       0.4918606 5.407664       0.4706330 -2.458572      1.558620  
1 1 1 11  20 38 o 51.23242 0.9613808 26.26900       0.9825741 27.95700       1.454418  24.85174       1.332687  3.007736       1.922762  
1 1 1 11  20 39 o 48.14887 0.9311689 23.26989       0.8960153 24.01409       1.298455  22.59336       1.238018  1.463951       1.862338  
1 1 1 11  20 40 o 25.96642 0.8542641 6.766578       0.4416149 5.920414       0.6122985 7.683950       0.6375415 -3.390997      1.708528  
1 1 1 11  20 41 o 13.33557 1.205329  1.791028       0.3206768 1.845283       0.4731652 1.744939       0.4361087 0.3662205      2.410659  
1 1 1 11  20 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  20 43 o 24.88585 0.8837286 6.193045       0.4385086 6.888921       0.6459544 5.598248       0.5972005 2.582533       1.767457  
1 1 1 11  20 44 o 16.26045 1.657212  0.000000       0.000000  ?              ?         2.670155       0.5389402 ?              ?         
1 1 1 11  21 0  o 125.6738 1.361896  158.1817       3.422473  160.2159       4.897013  156.2394       4.785142  1.576897       2.723791  
1 1 1 11  21 1  o 92.67217 1.298657  86.16273       2.259055  85.61438       3.940901  86.43110       2.756989  -0.4927368     2.597313  
1 1 1 11  21 2  o 23.44627 1.177145  5.491330       0.5507099 5.319304       0.7491797 5.693557       0.8122852 -0.7955017     2.354291  
1 1 1 11  21 3  o 110.4798 1.752057  122.3199       3.868598  125.5562       5.600536  119.3665       5.350100  2.785339       3.504114  
1 1 1 11  21 4  o 48.29922 1.067479  23.06084       1.024607  26.43078       1.554578  20.47261       1.362393  6.160187       2.134958  
1 1 1 11  21 5  o 29.60307 0.6056079 8.764557       0.3585016 8.969513       0.5116883 8.566947       0.5024340 0.6797142      1.211216  
1 1 1 11  21 6  f 46.95634 0.6656793 22.05795       0.6250641 21.90832       0.8752573 22.21369       0.8929569 -0.3246574     1.331359  
1 1 1 11  21 7  f 123.8068 1.345783  153.5837       3.331589  155.5980       4.773151  151.6700       4.652329  1.579178       2.691566  
1 1 1 11  21 8  o 129.1124 1.400862  167.1151       3.617295  166.9119       5.097647  167.3213       5.133800  -0.1562500     2.801723  
1 1 1 11  21 9  o 16.94677 0.7343692 2.856659       0.2324882 4.455504       0.3534575 1.637457       0.3086540 8.312987       1.468738  
1 1 1 11  21 10 o 56.91416 0.8148339 32.34528       0.9123660 32.83657       1.430003  32.00800       1.184857  0.7185173      1.629668  
1 1 1 11  21 11 o 98.52081 1.613236  96.98864       3.169036  102.7068       4.710998  92.26253       4.282912  5.266602       3.226471  
1 1 1 11  21 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  21 13 o 121.7627 1.329276  148.1886       3.229088  155.0240       4.773578  142.4221       4.384439  5.147217       2.658553  
1 1 1 11  21 14 o 24.73594 0.6289380 5.947861       0.3065306 4.861284       0.3981728 7.528769       0.4802801 -5.389109      1.257876  
1 1 1 11  21 15 o 24.38977 0.6673142 5.942096       0.3226731 5.873315       0.4277646 6.032901       0.4915034 -0.3247585     1.334628  
1 1 1 11  21 16 o 109.6022 1.681602  120.1909       3.673782  126.7653       5.472246  114.7965       4.956919  5.407829       3.363204  
1 1 1 11  21 17 o 86.94839 1.366093  75.82414       2.374640  77.25428       3.417359  74.48883       3.302103  1.579826       2.732186  
1 1 1 11  21 18 o 107.1261 1.527191  113.4393       3.155892  122.1889       5.289114  108.6020       3.932666  6.196533       3.054381  
1 1 1 11  21 19 o 89.35582 1.026935  79.90807       1.833493  77.76789       2.526792  82.28804       2.664592  -2.519356      2.053869  
1 1 1 11  21 20 o 37.58957 0.6491517 13.86203       0.4830816 12.07865       0.6319569 16.36914       0.7492931 -5.701248      1.298303  
1 1 1 11  21 21 o 84.21979 0.9808465 71.08253       1.652010  70.63944       2.319469  71.53871       2.353491  -0.5311356     1.961693  
1 1 1 11  21 22 o 56.52776 0.7591310 31.86362       0.8555230 30.39858       1.155591  33.64051       1.272646  -2.859859      1.518262  
1 1 1 11  21 23 o 146.1041 1.579924  214.7636       4.614647  218.6046       6.645326  211.1863       6.413062  2.504257       3.159848  
1 1 1 11  21 24 o 65.05029 0.8277932 42.39540       1.076850  42.13640       1.510145  42.66335       1.535975  -0.4028397     1.655586  
1 1 1 11  21 25 o 55.99590 0.7627200 31.40129       0.8540682 32.00952       1.219474  30.81574       1.196523  1.064110       1.525440  
1 1 1 11  21 26 o 33.76516 0.9650664 11.12123       0.5488674 12.01918       1.164455  10.86475       0.6223369 1.653103       1.930133  
1 1 1 11  21 27 o 8.998317 2.401797  0.5337211      0.6233194 0.9923427      0.8382912 -0.3338291E-01 0.9321784 2.413218       4.803593  
1 1 1 11  21 28 o 27.03552 0.6680694 7.314336       0.3608889 7.778612       0.5181774 6.877011       0.5029129 1.666145       1.336139  
1 1 1 11  21 29 o 38.71021 0.6801109 14.96217       0.5256639 16.11677       0.7680321 13.94466       0.7209973 2.801331       1.360222  
1 1 1 11  21 30 o 61.34934 0.8129627 37.49239       0.9938379 40.59807       1.485281  34.97463       1.337331  4.566631       1.625925  
1 1 1 11  21 31 o 32.30688 0.6892121 10.41656       0.4444246 9.639196       0.6078369 11.30947       0.6514498 -2.580662      1.378424  
1 1 1 11  21 32 o 34.57411 0.6867992 11.86805       0.4725893 13.56463       0.7057144 10.48864       0.6363407 4.441345       1.373598  
1 1 1 11  21 33 o 29.53651 0.6894073 8.724082       0.4067455 8.167363       0.5615423 9.338573       0.5899593 -1.979452      1.378815  
1 1 1 11  21 34 o 48.97070 0.7500622 24.00455       0.7339346 25.13597       1.065932  22.98465       1.012044  2.189442       1.500124  
1 1 1 11  21 35 o 38.31445 0.7118521 14.69945       0.5451210 14.01532       0.7570343 15.43617       0.7855937 -1.850605      1.423704  
1 1 1 11  21 36 o 28.13932 0.7946679 7.971146       0.4456985 7.466837       0.6432521 8.436824       0.6181244 -1.727245      1.589336  
1 1 1 11  21 37 o 50.56998 0.9533702 25.70339       0.9642223 25.91154       1.366769  25.49714       1.360485  0.4085426      1.906740  
1 1 1 11  21 38 o 43.56917 0.8934767 19.06712       0.7784311 18.68599       1.089284  19.46491       1.112829  -0.8894386     1.786953  
1 1 1 11  21 39 o 35.85108 0.8523577 12.88806       0.6106051 13.56340       0.8853838 12.27552       0.8432111 1.788189       1.704715  
1 1 1 11  21 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  21 41 o 27.03628 0.8455322 7.259717       0.4544475 8.379080       0.6853555 6.381365       0.6071069 3.678089       1.691064  
1 1 1 11  21 42 o 19.98001 0.9354349 4.013434       0.3731529 4.060666       0.5453672 3.971858       0.5116780 0.2145500      1.870870  
1 1 1 11  21 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  22 0  o 108.4054 1.299888  117.2701       2.769821  115.1489       3.583808  120.4165       4.364925  -2.384491      2.599777  
1 1 1 11  22 1  o 95.34390 1.072653  91.03682       2.045392  90.92631       2.884562  91.14857       2.900749  -0.1157837     2.145306  
1 1 1 11  22 2  o 122.6945 1.335352  150.8829       3.276805  150.8281       4.630736  150.9379       4.637474  -0.4436493E-01 2.670703  
1 1 1 11  22 3  o 69.00026 0.8366627 47.25663       1.147816  44.20662       1.526056  51.22981       1.741762  -5.081001      1.673325  
1 1 1 11  22 4  o 42.00956 0.6477995 17.63228       0.5438780 18.49339       0.7860555 16.84143       0.7533083 1.965179       1.295599  
1 1 1 11  22 5  o 110.4112 1.217539  121.9764       2.685535  118.7593       3.693429  125.5852       3.911814  -3.078522      2.435078  
1 1 1 11  22 6  o 126.5683 1.377166  160.2584       3.479926  155.0158       4.754042  166.3100       5.107683  -4.438011      2.754332  
1 1 1 11  22 7  o 14.79246 0.7738183 2.203838       0.2268975 2.534587       0.3202780 1.870585       0.3214884 2.244442       1.547637  
1 1 1 11  22 8  o 79.04145 1.258028  62.09543       1.976289  58.21748       2.623386  67.18413       3.005139  -5.647247      2.516057  
1 1 1 11  22 9  o 34.52049 0.6191671 11.92085       0.4274296 11.73998       0.5990233 12.10847       0.6100821 -0.5333748     1.238334  
1 1 1 11  22 10 o 98.56432 1.106085  97.32718       2.180350  97.90241       3.097583  96.76228       3.069569  0.5766907      2.212170  
1 1 1 11  22 11 o 113.7585 1.252486  129.7175       2.849456  130.6814       4.056339  128.7785       4.003655  0.8327408      2.504972  
1 1 1 11  22 12 o 149.3945 1.605135  224.1151       4.795787  223.0614       6.747462  225.1909       6.817615  -0.7062225     3.210270  
1 1 1 11  22 13 o 49.36810 0.6988471 24.20533       0.6870437 26.46677       1.031724  22.40348       0.9209393 4.110531       1.397694  
1 1 1 11  22 14 o 86.99683 1.000968  75.75439       1.740416  77.72498       2.518891  73.95421       2.407525  2.159737       2.001937  
1 1 1 11  22 15 o 69.00056 0.8462561 47.26436       1.161436  51.60591       1.758733  43.90670       1.546665  5.566475       1.692512  
1 1 1 11  22 16 o 90.93341 1.040962  82.86490       1.893148  83.30221       2.683613  82.43167       2.671062  0.4777451      2.081925  
1 1 1 11  22 17 o 56.81719 0.7554976 32.04831       0.8545576 35.27138       1.285773  29.49810       1.143716  5.072681       1.510995  
1 1 1 11  22 18 o 29.77812 0.6815118 8.796083       0.3990646 8.458505       0.5146649 9.305045       0.6319453 -1.415020      1.363024  
1 1 1 11  22 19 o 71.24658 1.162580  50.16529       1.638243  46.15234       2.133429  55.93188       2.557439  -6.821625      2.325160  
1 1 1 11  22 20 o 13.53518 0.9534188 1.884842       0.2458589 1.218120       0.3441171 2.580048       0.3513911 -5.030478      1.906838  
1 1 1 11  22 21 f 22.88780 0.7530736 5.190513       0.3415173 4.285319       0.4597424 6.305024       0.5101358 -4.408533      1.506147  
1 1 1 11  22 22 o 93.51714 1.288877  87.14570       2.275304  90.09826       3.962104  85.69289       2.779274  2.199234       2.577754  
1 1 1 11  22 23 f 25.98595 0.6637473 6.741510       0.3444206 7.258029       0.5021873 6.282769       0.4732666 1.874477       1.327495  
1 1 1 11  22 24 o 66.81583 1.310293  44.77211       1.748599  47.17572       2.554732  42.65358       2.398445  3.361115       2.620586  
1 1 1 11  22 25 o 25.54139 1.189771  6.676678       0.4474687 6.736850       0.4899674 6.374260       1.098428  0.7892590      2.379541  
1 1 1 11  22 26 o 10.40298 1.156051  1.113930       0.2264176 1.530093       0.3310276 0.7480755      0.3103750 3.893818       2.312101  
1 1 1 11  22 27 f 45.85476 0.7107067 21.06550       0.6516815 21.00229       0.9128689 21.13119       0.9306213 -0.1388588     1.421413  
1 1 1 11  22 28 o 16.21915 0.8016958 2.630084       0.2595780 2.864438       0.3771822 2.419217       0.3577830 1.370396       1.603392  
1 1 1 11  22 29 o 45.42378 0.7154326 20.62864       0.6491590 21.67550       0.9468666 19.70018       0.8917127 2.168659       1.430865  
1 1 1 11  22 30 o 30.91751 0.6807091 9.575214       0.4208227 9.293515       0.5907867 9.865357       0.5995769 -0.9239082     1.361418  
1 1 1 11  22 31 o 63.61917 0.8374160 40.57213       1.065023  41.50468       1.534879  39.70622       1.479015  1.406082       1.674832  
1 1 1 11  22 32 o 26.85309 0.6957917 7.233166       0.3733032 7.601277       0.5275608 6.864022       0.5283009 1.372845       1.391583  
1 1 1 11  22 33 o 20.64494 0.7725165 4.291853       0.3148347 3.446302       0.4384398 5.192004       0.4523742 -4.226044      1.545033  
1 1 1 11  22 34 f 30.24851 0.7557356 9.172107       0.4520011 9.204898       0.6940054 9.147949       0.5956584 0.8075523E-01  1.511471  
1 1 1 11  22 35 o 26.90953 0.8113155 7.195170       0.4342408 8.310139       0.6495998 6.294439       0.5838647 3.734983       1.622631  
1 1 1 11  22 36 o 48.18309 0.9228723 23.32432       0.8892560 23.71698       1.267081  22.94320       1.248325  0.7994804      1.845745  
1 1 1 11  22 37 o 26.34593 0.8384199 6.951776       0.4401597 6.157304       0.6063635 7.836704       0.6399535 -3.180948      1.676840  
1 1 1 11  22 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  22 39 o 57.23138 1.027738  32.90885       1.174416  31.75618       1.605650  34.23496       1.722220  -2.137482      2.055477  
1 1 1 11  22 40 o 48.33090 0.9417956 23.50298       0.9101205 23.34984       1.270954  23.66416       1.303888  -0.3173409     1.883591  
1 1 1 11  22 41 o 13.41630 1.180582  1.770849       0.3089398 2.430598       0.4765254 1.292480       0.4057682 4.221334       2.361163  
1 1 1 11  23 0  o 111.8387 1.232210  124.9152       2.748296  119.9102       3.721496  130.9193       4.076004  -4.899506      2.464419  
1 1 1 11  23 1  o 32.74656 0.7520761 10.72770       0.4924151 10.55145       0.6863719 10.91463       0.7068393 -0.5537376     1.504152  
1 1 1 11  23 2  o 92.06613 1.437392  84.94685       2.644862  83.11589       3.659037  86.95023       3.827442  -2.069656      2.874784  
1 1 1 11  23 3  o 19.48061 0.6876315 3.781726       0.2671143 3.602517       0.3612355 3.997929       0.3967739 -1.013582      1.375263  
1 1 1 11  23 4  o 55.99167 0.7386818 31.28906       0.8259633 33.04528       1.208891  29.75143       1.131157  2.938286       1.477364  
1 1 1 11  23 5  o 54.59938 0.7305711 29.72953       0.7962453 31.60955       1.170969  28.11259       1.085952  3.199005       1.461142  
1 1 1 11  23 6  o 104.4300 1.161211  109.1572       2.423176  112.2396       3.517312  106.3725       3.343098  2.797882       2.322423  
1 1 1 11  23 7  o 17.72194 0.6863747 3.145996       0.2428661 3.365710       0.3441342 2.927983       0.3427988 1.234936       1.372749  
1 1 1 11  23 8  o 124.1986 1.355137  154.5733       3.363602  158.4685       4.872114  151.0260       4.649401  2.978462       2.710274  
1 1 1 11  23 9  o 98.26585 1.105815  96.23000       2.163810  91.35040       2.901423  102.3450       3.248004  -5.570480      2.211631  
1 1 1 11  23 10 o 12.63473 0.8174391 1.602167       0.2060281 1.486336       0.2936572 1.714455       0.2891311 -0.9029884     1.634878  
1 1 1 11  23 11 o 130.6301 1.420702  170.5907       3.698744  163.1248       4.986713  179.7212       5.514671  -6.300133      2.841404  
1 1 1 11  23 12 o 69.35150 0.8489012 48.07276       1.176101  50.07632       1.714262  46.29109       1.616551  2.723190       1.697802  
1 1 1 11  23 13 o 105.9720 1.181555  112.4111       2.500698  109.0280       3.428453  116.2571       3.655497  -3.391907      2.363110  
1 1 1 11  23 14 o 99.19893 1.116795  98.30853       2.209730  103.3349       3.273694  94.10174       2.994938  4.630547       2.233591  
1 1 1 11  23 15 o 40.38669 0.6608630 16.31730       0.5336120 16.92244       0.7644760 15.74232       0.7451767 1.460007       1.321726  
1 1 1 11  23 16 o 49.14712 0.7095509 23.81265       0.6917954 27.31725       1.063293  21.24025       0.9109676 6.173382       1.419102  
1 1 1 11  23 17 o 42.21222 0.6715042 17.84105       0.5668369 18.10486       0.7995526 17.57448       0.8037205 0.6284790      1.343008  
1 1 1 11  23 18 o 40.59803 0.6648992 16.05064       0.5320401 13.84490       0.6855503 19.39108       0.8436541 -6.820675      1.329798  
1 1 1 11  23 19 o 19.22155 0.7045495 3.691639       0.2699488 3.288123       0.3728850 4.136022       0.3913119 -2.204279      1.409099  
1 1 1 11  23 20 f 28.27294 0.6552994 7.975839       0.3695258 8.860455       0.5388643 7.190574       0.5077034 2.951004       1.310599  
1 1 1 11  23 21 o 32.69470 1.301713  10.52764       0.8424256 8.936310       1.106764  12.71948       1.298912  -5.758635      2.603426  
1 1 1 11  23 22 o 33.48457 0.9318438 11.22789       0.6240478 11.22789       0.6240478 ?              ?         ?              ?         
1 1 1 11  23 23 o 48.28219 0.8964779 23.33662       0.8647551 22.56574       1.189826  24.19975       1.259001  -1.684677      1.792956  
1 1 1 11  23 24 o 70.47990 1.158133  49.90766       1.632357  50.44368       2.327612  49.38890       2.289853  0.7426987      2.316267  
1 1 1 11  23 25 o 9.213972 1.258828  0.8255118      0.2241829 1.281317       0.3570645 0.5289207      0.2880290 4.157657       2.517656  
1 1 1 11  23 26 o 36.91658 0.6830931 13.63442       0.5038479 13.26035       0.6940405 14.05122       0.7326209 -1.067562      1.366186  
1 1 1 11  23 27 o 58.56789 0.7947178 34.23484       0.9283249 32.38353       1.256951  36.45649       1.376937  -3.463459      1.589436  
1 1 1 11  23 28 o 46.14877 0.7202511 21.32742       0.6643159 20.95107       0.9194916 21.73837       0.9608409 -0.8486366     1.440502  
1 1 1 11  23 29 o 52.39379 0.7649384 27.40381       0.7997460 29.37057       1.180040  25.73304       1.087627  3.460350       1.529877  
1 1 1 11  23 30 o 39.85138 0.7051760 15.87968       0.5611959 15.21683       0.7682368 16.63812       0.8217664 -1.776787      1.410352  
1 1 1 11  23 31 o 45.53379 0.7646170 20.65926       0.6897810 21.74062       1.061196  19.86812       0.9076886 2.035484       1.529234  
1 1 1 11  23 32 o 11.35209 1.112959  1.308103       0.2500898 1.196980       0.3712861 1.400392       0.3383629 -0.9024057     2.225917  
1 1 1 11  23 33 o 47.36214 0.9124274 22.51645       0.8639669 23.35185       1.239226  21.72636       1.205154  1.710140       1.824855  
1 1 1 11  23 34 o 24.08867 0.8123997 5.797791       0.3905021 6.277050       0.5753192 5.388362       0.5317565 1.837564       1.624799  
1 1 1 11  23 35 o 29.56951 0.8132021 8.766944       0.4805664 8.338398       0.6668361 9.230014       0.6931760 -1.503077      1.626404  
1 1 1 11  23 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  23 37 o 17.69435 0.9587947 3.141904       0.3383889 2.831849       0.4672897 3.483768       0.4906746 -1.837074      1.917589  
1 1 1 11  23 38 o 40.44955 0.8675041 16.35328       0.6997007 15.20583       0.9463171 17.73718       1.039252  -3.109234      1.735008  
1 1 1 11  23 39 o 42.66978 0.8894654 18.29856       0.7588702 18.84770       1.086277  17.77507       1.060593  1.251270       1.778931  
1 1 1 11  23 40 o 27.19663 1.217332  0.000000       0.000000  ?              ?         7.435951       0.6621466 ?              ?         
1 1 1 11  24 0  o 46.70595 0.6838663 21.83272       0.6387585 22.15075       0.9030596 21.51430       0.9036224 0.6813622      1.367733  
1 1 1 11  24 1  o 55.08654 0.7361773 30.26479       0.8094334 32.10095       1.191870  28.69298       1.102741  3.089367       1.472355  
1 1 1 11  24 2  o 50.97194 0.7086288 26.00064       0.7223453 26.45969       1.027606  25.55224       1.015601  0.8896332      1.417258  
1 1 1 11  24 3  o 43.07420 0.6580985 18.55361       0.5667063 19.26070       0.8139830 17.88847       0.7894666 1.591850       1.316197  
1 1 1 11  24 4  o 83.22401 0.9659448 69.37952       1.607706  69.11618       2.259967  69.64932       2.287564  -0.3185577     1.931890  
1 1 1 11  24 5  o 63.83669 0.8008306 40.58366       1.018765  38.36645       1.371619  43.31196       1.521515  -3.865368      1.601661  
1 1 1 11  24 6  o 103.6997 1.156657  107.6877       2.396491  105.0186       3.301403  110.6606       3.484288  -2.705589      2.313314  
1 1 1 11  24 7  o 54.14472 0.7325234 29.34729       0.7932340 29.26598       1.118236  29.42965       1.125404  -0.1507797     1.465047  
1 1 1 11  24 8  o 115.2679 1.268815  132.8962       2.918096  127.9252       3.965517  138.7672       4.309536  -4.672417      2.537630  
1 1 1 11  24 9  f 93.25032 1.060475  87.13613       1.977557  88.27273       2.823534  86.04174       2.770595  1.192230       2.120951  
1 1 1 11  24 10 o 58.64047 0.7649681 34.39773       0.8965413 33.61267       1.240267  35.25686       1.297468  -1.398632      1.529936  
1 1 1 11  24 11 o 22.70605 0.6550848 5.150491       0.2970471 4.774035       0.4109797 5.562273       0.4298299 -1.734764      1.310170  
1 1 1 11  24 12 o 78.57281 0.9296899 61.75230       1.458881  59.93193       1.999913  63.82269       2.132833  -2.465645      1.859380  
1 1 1 11  24 13 o 39.78817 0.6571414 15.82284       0.5225193 16.61018       0.7560271 15.10281       0.7229872 1.892380       1.314283  
1 1 1 11  24 14 o 44.82174 0.6831201 20.11020       0.6122708 20.63534       0.8716369 19.59870       0.8602391 1.155708       1.366240  
1 1 1 11  24 15 o 45.17198 0.6918965 20.23909       0.6221362 22.79633       0.9335658 18.19615       0.8344250 5.085289       1.383793  
1 1 1 11  24 16 o 57.39513 0.7675702 32.97514       0.8805174 32.40654       1.219359  33.59472       1.272842  -1.030899      1.535140  
1 1 1 11  24 17 o 31.44212 0.7319763 9.444579       0.4421330 11.54310       0.7636962 8.386624       0.5422474 5.002483       1.463953  
1 1 1 11  24 18 o 41.44786 1.169060  17.23583       0.9684028 16.89100       1.339488  17.61343       1.401686  -0.8637161     2.338119  
1 1 1 11  24 19 o 51.54040 1.012386  26.77678       0.9219975 26.92213       1.077714  26.38000       1.780664  0.6033401      2.024772  
1 1 1 11  24 20 o 52.60894 0.7415380 27.67243       0.7791872 26.70712       1.068747  28.76770       1.138425  -1.952293      1.483076  
1 1 1 11  24 21 o 102.0413 1.155902  104.3431       2.354191  100.6309       3.208344  108.6732       3.465122  -3.903816      2.311803  
1 1 1 11  24 22 o 60.59265 0.8052534 36.79657       0.9755725 36.55529       1.361638  37.05108       1.398434  -0.4052467     1.610507  
1 1 1 11  24 23 o 19.87850 0.7285525 3.959663       0.2896137 4.041923       0.4104075 3.878066       0.4087487 0.4119835      1.457105  
1 1 1 11  24 24 o 48.06104 0.7275327 23.13534       0.6991543 23.73453       1.001360  22.56540       0.9766113 1.213818       1.455065  
1 1 1 11  24 25 o 61.80859 0.8683780 38.41267       1.068135  39.33661       1.450518  37.31814       1.578759  1.648914       1.736756  
1 1 1 11  24 26 o 40.41195 0.8275007 16.36929       0.6685250 16.10926       0.9291142 16.64842       0.9626517 -0.6630058     1.655001  
1 1 1 11  24 27 o 31.11575 0.7694721 9.694509       0.4785332 9.334467       0.6624529 10.08740       0.6920106 -1.206324      1.538944  
1 1 1 11  24 28 o 55.22753 0.9785418 30.61764       1.080360  31.46418       1.556728  29.83110       1.500541  1.469090       1.957084  
1 1 1 11  24 29 o 75.23558 0.9408019 56.85670       1.415554  56.27512       2.004700  57.43504       1.999102  -0.7717819     1.881604  
1 1 1 11  24 30 o 57.07877 0.8943682 32.59078       1.018148  34.26271       1.509480  31.19521       1.379096  2.666340       1.788736  
1 1 1 11  24 31 o 24.52095 0.7999343 6.010846       0.3905915 5.264875       0.5362978 6.853523       0.5700013 -3.234335      1.599869  
1 1 1 11  24 32 o 22.15219 0.8142697 4.906861       0.3600024 5.355978       0.5266677 4.512982       0.4932175 1.897327       1.628539  
1 1 1 11  24 33 o 30.95456 1.147735  0.000000       0.000000  ?              ?         9.618870       0.7105528 ?              ?         
1 1 1 11  24 34 o 17.59662 2.032326  3.136791       0.7152416 3.136791       0.7152416 ?              ?         ?              ?         
1 1 1 11  24 35 o 49.91529 0.9423346 25.00435       0.9397388 26.21846       1.367597  23.91828       1.293481  2.288483       1.884669  
1 1 1 11  24 36 o 15.42540 1.036110  2.436768       0.3123317 1.858417       0.4442830 3.001881       0.4391689 -3.707660      2.072221  
1 1 1 11  24 37 o 12.22286 1.246229  1.581844       0.2862024 1.191374       0.4224541 1.913094       0.3891023 -3.119482      2.492457  
1 1 1 11  24 38 o 28.39119 0.8293815 8.095554       0.4704062 8.640907       0.6730681 7.574809       0.6577075 1.874388       1.658763  
1 1 1 11  25 0  o 52.43471 0.7196876 27.43699       0.7534626 29.03889       1.105263  26.04624       1.029844  2.849888       1.439375  
1 1 1 11  25 1  o 31.19133 0.6312145 9.740551       0.3935452 9.870641       0.5496292 9.603689       0.5637537 0.4285526      1.262429  
1 1 1 11  25 2  f 29.33997 0.6355202 8.568563       0.3710893 9.864508       0.5452964 7.450673       0.5064528 4.111807       1.271040  
1 1 1 11  25 3  o 57.85411 0.7609785 33.37988       0.8781529 31.81438       1.189991  35.25179       1.301245  -2.964577      1.521957  
1 1 1 11  25 4  o 97.64108 1.103142  95.15112       2.146511  90.77456       2.891836  100.5210       3.203242  -4.965042      2.206284  
1 1 1 11  25 5  o 127.1433 1.388046  162.3396       3.529507  161.8078       4.968895  162.8811       5.014369  -0.4171371     2.776093  
1 1 1 11  25 6  o 63.65868 0.8095877 40.36714       1.027032  38.15026       1.382723  43.09525       1.533897  -3.874084      1.619175  
1 1 1 11  25 7  o 102.1790 1.146879  104.4480       2.339149  109.0288       3.441061  100.5129       3.189372  4.143196       2.293757  
1 1 1 11  25 8  o 99.45717 1.120584  99.20345       2.228781  98.44641       3.125688  99.98650       3.178930  -0.7691879     2.241169  
1 1 1 11  25 9  o 69.19713 0.8536484 47.65351       1.176423  51.35627       1.765524  44.69666       1.577701  4.798065       1.707297  
1 1 1 11  25 10 o 82.90652 0.9712684 68.89758       1.610443  69.51263       2.287580  68.29326       2.267572  0.7336349      1.942537  
1 1 1 11  25 11 f 58.27821 0.7718225 33.99541       0.8989753 33.44588       1.244267  34.59552       1.300267  -0.9821968     1.543645  
1 1 1 11  25 12 o 27.20697 0.6437555 7.307405       0.3476999 6.294694       0.4629222 8.618216       0.5266657 -4.265951      1.287511  
1 1 1 11  25 13 f 27.18994 0.6504413 7.353550       0.3516810 8.563226       0.5188538 6.325498       0.4783195 4.112259       1.300883  
1 1 1 11  25 14 o 73.64537 1.137140  55.72989       1.595447  49.95201       2.622230  59.12600       2.010376  -6.300186      2.274280  
1 1 1 11  25 15 o 9.434985 2.201114  0.6547995      0.5736507 1.542935       0.7878221 -0.3475142     0.8369325 5.349450       4.402227  
1 1 1 11  25 16 o 38.33971 0.9739673 13.69706       0.6089373 13.00450       0.6777886 16.59575       1.386653  -4.606983      1.947935  
1 1 1 11  25 17 o 30.34496 0.6615176 9.220566       0.4013441 9.180569       0.5599383 9.262826       0.5755565 -0.1343155     1.323035  
1 1 1 11  25 18 o 83.42749 0.9846736 69.74169       1.641193  67.89697       2.258483  71.80580       2.389010  -2.326744      1.969347  
1 1 1 11  25 19 o 27.40392 0.6698385 7.473499       0.3659355 6.830863       0.4951894 8.246651       0.5431514 -2.579021      1.339677  
1 1 1 11  25 20 o 64.83376 0.8322356 42.14760       1.079059  42.43834       1.520225  41.85239       1.531882  0.4531937      1.664471  
1 1 1 11  25 21 f 26.40549 0.6774287 6.987835       0.3575550 7.092476       0.4996852 6.878037       0.5118527 0.4071732      1.354857  
1 1 1 11  25 22 o 37.41137 0.6797790 14.02379       0.5085325 14.33582       0.7190613 13.71156       0.7192859 0.8343277      1.359558  
1 1 1 11  25 23 o 50.31058 0.7471408 25.36059       0.7516394 25.99442       1.074393  24.75300       1.051921  1.231304       1.494282  
1 1 1 11  25 24 o 38.30136 0.6901263 14.70358       0.5285017 15.01694       0.7444686 14.38521       0.7503952 0.8252945      1.380253  
1 1 1 11  25 25 o 46.23259 0.7273411 21.39343       0.6719656 20.64013       0.9272494 22.22660       0.9751660 -1.710129      1.454682  
1 1 1 11  25 26 o 44.13076 0.7150406 19.51485       0.6309106 19.16791       0.8789945 19.88352       0.9061078 -0.8074188     1.430081  
1 1 1 11  25 27 o 52.37681 0.8062763 27.08753       0.8307358 25.28292       1.067581  29.85752       1.322656  -4.330727      1.612553  
1 1 1 11  25 28 o 14.56485 0.9376591 2.137868       0.2719622 2.037875       0.3977697 2.225645       0.3726804 -0.6487799     1.875318  
1 1 1 11  25 29 o 8.168275 1.476989  0.6915398      0.2421619 0.8109020      0.3625959 0.5954344      0.3253594 1.223163       2.953977  
1 1 1 11  25 30 o 45.53569 0.8898488 20.77895       0.8091223 20.00866       1.107063  21.66227       1.185503  -1.801861      1.779698  
1 1 1 11  25 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  25 32 o 12.37643 1.198530  1.601517       0.2781168 1.117672       0.3926479 2.088672       0.3939887 -4.066558      2.397060  
1 1 1 11  25 33 o 32.41777 0.8179051 10.54977       0.5301099 10.94827       0.7565231 10.16536       0.7430361 1.205078       1.635810  
1 1 1 11  25 34 o 59.09425 1.041451  35.15515       1.230591  36.04435       1.762440  34.30923       1.719008  1.457535       2.082903  
1 1 1 11  25 35 o 30.45519 0.8178533 9.314501       0.4979192 9.171235       0.6915732 9.468699       0.7174688 -0.4830303     1.635707  
1 1 1 11  25 36 o 25.72240 0.8289940 6.550041       0.4228477 7.864345       0.6402307 5.533152       0.5631514 4.515898       1.657988  
1 1 1 11  25 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  26 0  o 92.72592 1.059474  86.20618       1.964636  85.64154       2.756562  86.78908       2.800794  -0.6147690     2.118947  
1 1 1 11  26 1  o 22.87757 0.6788203 5.164826       0.3077944 4.316996       0.4106561 6.251702       0.4649580 -4.225212      1.357641  
1 1 1 11  26 2  o 41.52822 0.6704258 17.19217       0.5556422 18.66365       0.8161997 15.92119       0.7585564 3.298523       1.340852  
1 1 1 11  26 3  o 38.50628 0.6577303 14.66672       0.5030811 13.36764       0.6656717 16.39691       0.7682263 -3.927429      1.315461  
1 1 1 11  26 4  o 70.37326 0.8646639 49.33711       1.211950  46.68896       1.626676  52.64113       1.816982  -4.213860      1.729328  
1 1 1 11  26 5  o 98.61334 1.116452  97.54253       2.201407  96.34010       3.072908  98.81027       3.155243  -1.243729      2.232903  
1 1 1 11  26 6  f 39.53785 0.6628310 15.64122       0.5239214 16.27650       0.7509565 15.03874       0.7313075 1.564011       1.325662  
1 1 1 11  26 7  o 46.92461 0.6975902 22.03065       0.6542301 21.55980       0.9051561 22.54569       0.9466825 -1.047565      1.395180  
1 1 1 11  26 8  o 126.7991 1.389305  161.4389       3.518917  166.5595       5.132205  156.8957       4.834157  3.767693       2.778610  
1 1 1 11  26 9  o 76.61647 0.9208601 58.80919       1.410481  60.19133       2.030680  57.52077       1.960607  1.736046       1.841720  
1 1 1 11  26 10 o 63.44231 1.063354  39.36123       1.204263  42.66330       2.341808  38.17406       1.404154  3.434147       2.126707  
1 1 1 11  26 11 o 40.25266 1.167417  16.28694       0.9386114 17.19598       1.324964  15.37119       1.329844  2.267288       2.334834  
1 1 1 11  26 12 o 66.61293 1.095759  44.06877       1.314377  43.46558       1.546809  45.63572       2.493077  -1.514198      2.191518  
1 1 1 11  26 13 f 58.43017 0.7795740 34.20999       0.9109352 34.24142       1.280243  34.17776       1.296424  0.5596161E-01  1.559148  
1 1 1 11  26 14 o 17.09103 0.7744639 2.889204       0.2618322 3.569161       0.3933970 2.348457       0.3508227 3.567204       1.548928  
1 1 1 11  26 15 f 28.69406 0.6693928 8.249838       0.3839972 8.404966       0.5389305 8.089868       0.5472736 0.5497704      1.338786  
1 1 1 11  26 16 o 74.14240 0.9082792 55.13244       1.346754  55.80054       1.917531  54.48206       1.891923  0.8861008      1.816558  
1 1 1 11  26 17 o 67.36780 0.8552963 45.45956       1.151661  46.97204       1.665228  44.07290       1.594465  2.143562       1.710593  
1 1 1 11  26 18 o 25.71369 0.6751543 6.625042       0.3471337 6.758232       0.4894755 6.490269       0.4923799 0.5213184      1.350309  
1 1 1 11  26 19 f 70.31120 0.8802316 49.46944       1.235262  47.83441       1.683608  51.37587       1.817967  -2.501755      1.760463  
1 1 1 11  26 20 o 27.15844 0.6764232 7.384658       0.3668254 7.979746       0.5262650 6.822305       0.5115854 2.129456       1.352846  
1 1 1 11  26 21 o 25.40818 0.6921822 6.453955       0.3498587 7.429066       0.5080528 5.574512       0.4824866 3.646925       1.384364  
1 1 1 11  26 22 o 20.15449 0.7329188 4.073663       0.2952778 4.159624       0.4139399 3.984605       0.4213300 0.4350376      1.465838  
1 1 1 11  26 23 o 55.18863 0.7745844 30.54058       0.8548542 31.24282       1.216239  29.85493       1.201784  1.255520       1.549169  
1 1 1 11  26 24 o 98.15730 1.134151  96.96132       2.226462  97.46703       3.160569  96.46313       3.136950  0.5066605      2.268302  
1 1 1 11  26 25 o 17.72663 0.8131197 3.150130       0.2880568 2.980974       0.4016797 3.329231       0.4133173 -0.9806290     1.626239  
1 1 1 11  26 26 o 68.30797 1.071685  46.82158       1.445933  46.23650       1.895707  47.63543       2.235848  -0.9584045     2.143370  
1 1 1 11  26 27 o 29.09976 0.7894809 8.485229       0.4591379 8.071887       0.6370885 8.931908       0.6622822 -1.473911      1.578962  
1 1 1 11  26 28 o 24.72284 1.125973  0.000000       0.000000  ?              ?         6.134014       0.5567451 ?              ?         
1 1 1 11  26 29 o 34.23597 1.662744  11.81650       1.138513  11.81650       1.138513  ?              ?         ?              ?         
1 1 1 11  26 30 o 14.92783 0.9728436 2.270382       0.2862969 1.876045       0.4117548 2.639459       0.3983480 -2.559892      1.945687  
1 1 1 11  26 31 o 46.17317 0.9024111 21.42940       0.8333036 21.63941       1.177334  21.21859       1.179608  0.4561501      1.804822  
1 1 1 11  26 32 o 73.75420 1.220227  54.89843       1.799326  56.14117       2.586198  53.73249       2.505006  1.609840       2.440453  
1 1 1 11  26 33 o 27.00389 0.8128520 7.326453       0.4389385 7.489463       0.6220681 7.164815       0.6194458 0.6005802      1.625704  
1 1 1 11  26 34 f 12.24074 1.213747  1.590322       0.2746306 1.049727       0.3922319 2.110223       0.3846517 -4.483504      2.427495  
1 1 1 11  26 35 o 36.96907 1.193805  0.000000       0.000000  ?              ?         13.73723       0.8826767 ?              ?         
1 1 1 11  27 0  o 76.80252 0.9914690 58.74763       1.498755  61.40714       2.360360  56.95097       1.940042  2.857597       1.982938  
1 1 1 11  27 1  f 48.04189 0.7067348 23.08977       0.6784162 22.58192       0.9355009 23.65310       0.9852846 -1.111156      1.413470  
1 1 1 11  27 2  o 22.13458 0.7040280 4.914861       0.3099143 5.590550       0.4430024 4.267205       0.4337153 2.988630       1.408056  
1 1 1 11  27 3  o 39.38583 0.6689829 15.41045       0.5247423 14.18626       0.7039471 16.94135       0.7872093 -3.491661      1.337966  
1 1 1 11  27 4  o 63.14850 0.8141516 39.94010       1.028024  40.90144       1.471951  39.02464       1.436393  1.482906       1.628303  
1 1 1 11  27 5  o 55.32635 0.7573026 30.39005       0.8330830 28.25529       1.107512  33.17207       1.264312  -4.430458      1.514605  
1 1 1 11  27 6  o 27.34727 1.088477  6.968693       0.5616459 9.167609       1.020329  6.012772       0.6727391 5.725599       2.176955  
1 1 1 11  27 7  o 104.3221 1.720704  109.8700       3.590080  110.6418       5.095631  109.1092       5.058849  0.7273331      3.441407  
1 1 1 11  27 8  o 45.01873 0.9884099 19.83793       0.7548826 19.41505       0.8589554 21.27268       1.582164  -1.981873      1.976820  
1 1 1 11  27 9  o 107.6037 1.207028  116.2759       2.596315  118.9173       3.744480  113.8303       3.603089  2.343239       2.414055  
1 1 1 11  27 10 o 54.97692 0.7602949 30.28684       0.8359445 30.52684       1.180934  30.04580       1.183478  0.4377365      1.520590  
1 1 1 11  27 11 o 112.2680 1.252338  126.7105       2.811242  128.6859       4.031043  124.8400       3.922570  1.695435       2.504677  
1 1 1 11  27 12 o 42.10135 0.6942406 17.69479       0.5835311 18.91544       0.8560397 16.63529       0.7975378 2.702576       1.388481  
1 1 1 11  27 13 o 25.26065 0.6774010 6.316032       0.3390472 7.676600       0.5082458 5.225070       0.4551124 4.847641       1.354802  
1 1 1 11  27 14 o 62.23804 0.8142430 38.76594       1.012404  40.25534       1.475051  37.43941       1.392061  2.253025       1.628486  
1 1 1 11  27 15 o 38.05615 0.6774715 14.46297       0.5147982 15.57352       0.7516127 13.48160       0.7065448 2.744232       1.354943  
1 1 1 11  27 16 o 54.80876 0.7639704 30.11396       0.8373379 30.32343       1.177318  29.89954       1.191152  0.3882141      1.527941  
1 1 1 11  27 17 o 77.04335 0.9357467 59.51020       1.440549  58.21771       1.987333  60.94122       2.091116  -1.753319      1.871493  
1 1 1 11  27 18 o 31.86771 0.6740086 10.17502       0.4293436 10.62899       0.6104136 9.730539       0.6040042 1.409018       1.348017  
1 1 1 11  27 19 o 13.15001 0.9729533 1.748161       0.2503526 1.309114       0.3472139 2.223583       0.3613108 -3.474967      1.945907  
1 1 1 11  27 20 o 14.59730 0.9037265 2.135297       0.2561413 1.502574       0.3476173 2.886923       0.3788748 -4.737185      1.807453  
1 1 1 11  27 21 o 42.49559 0.7091781 18.10474       0.6027024 18.22365       0.8495319 17.98423       0.8551960 0.2824020      1.418356  
1 1 1 11  27 22 f 59.18385 0.8078151 35.11034       0.9557697 36.40056       1.374997  33.90413       1.329476  2.102566       1.615630  
1 1 1 11  27 23 o 27.35844 0.7365738 7.447417       0.3991382 7.114345       0.5242290 7.906810       0.6156649 -1.436310      1.473148  
1 1 1 11  27 24 o 35.07825 0.7778481 12.28703       0.5427221 11.83379       0.7249578 12.86493       0.8185945 -1.456257      1.555696  
1 1 1 11  27 25 o 7.367902 2.145467  0.000000       0.000000  ?              ?         0.5604429      0.3352430 ?              ?         
1 1 1 11  27 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  27 27 o 24.83529 0.8095408 6.165088       0.3994465 7.230559       0.5850484 5.234701       0.5467043 4.011518       1.619082  
1 1 1 11  27 28 o 55.15004 0.9867959 30.58256       1.087898  30.03624       1.510219  31.17183       1.568475  -1.016777      1.973592  
1 1 1 11  27 29 o 35.10111 0.8078336 12.36960       0.5670487 12.24255       0.7944617 12.50154       0.8096088 -0.3661919     1.615667  
1 1 1 11  27 30 o 17.13131 0.9102780 2.933836       0.3104295 3.365181       0.4568417 2.563816       0.4231220 2.331704       1.820556  
1 1 1 11  27 31 o 56.08500 1.001991  31.64475       1.123261  32.73252       1.622995  30.64471       1.556173  1.844444       2.003981  
1 1 1 11  27 32 o 79.37930 1.295420  63.60388       2.053648  66.25803       3.003987  61.27498       2.813916  3.078560       2.590840  
1 1 1 11  27 33 f 27.25756 1.128196  0.000000       0.000000  ?              ?         7.463728       0.6150377 ?              ?         
1 1 1 11  28 0  o 18.69658 0.8213896 3.504481       0.3049937 3.511087       0.4081278 3.496125       0.4589909 0.4500198E-01  1.642779  
1 1 1 11  28 1  o 84.48574 2.745008  0.000000       0.000000  ?              ?         72.29787       4.638281  ?              ?         
1 1 1 11  28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  28 3  o 103.8573 2.293933  108.8606       4.764832  108.8606       4.764832  ?              ?         ?              ?         
1 1 1 11  28 4  o 91.78265 1.276128  84.01321       2.212177  86.90837       3.848252  82.58432       2.703523  2.173096       2.552256  
1 1 1 11  28 5  o 62.95433 0.8172101 39.50651       1.025239  37.22751       1.380243  42.31168       1.531311  -4.022087      1.634420  
1 1 1 11  28 6  o 52.02971 0.7415215 26.90119       0.7675235 25.04831       1.023044  29.28688       1.160855  -4.059814      1.483043  
1 1 1 11  28 7  o 25.12352 0.6769821 6.292190       0.3392189 5.706358       0.4630295 6.970870       0.4983739 -2.513403      1.353964  
1 1 1 11  28 8  o 88.23965 1.029611  78.12225       1.815972  76.66087       2.516747  79.70950       2.622884  -1.712715      2.059221  
1 1 1 11  28 9  o 18.56700 0.7417172 3.451006       0.2749957 3.187971       0.3826474 3.731971       0.3954749 -1.463671      1.483434  
1 1 1 11  28 10 o 60.60206 0.8018591 36.76272       0.9711060 38.23881       1.408046  35.42365       1.341101  2.315292       1.603718  
1 1 1 11  28 11 o 6.156723 1.417099  0.3518040      0.2067311 0.2054355      0.2875215 0.5084614      0.2974554 -1.727988      2.834198  
1 1 1 11  28 12 o 36.11984 0.6716624 13.06742       0.4850628 12.95203       0.6765658 13.18946       0.6958033 -0.3267937     1.343325  
1 1 1 11  28 13 o 23.68538 0.6875468 5.617195       0.3253150 6.007246       0.4663328 5.247431       0.4540431 1.602739       1.375094  
1 1 1 11  28 14 o 30.21601 0.6669252 9.132078       0.4027054 8.743444       0.5563877 9.559671       0.5836100 -1.347977      1.333850  
1 1 1 11  28 15 o 80.76097 0.9705385 65.46642       1.567329  66.66012       2.243666  64.32874       2.190370  1.435471       1.941077  
1 1 1 11  28 16 o 31.59486 0.6720446 10.00790       0.4243973 10.17019       0.5928271 9.837279       0.6078309 0.5284863      1.344089  
1 1 1 11  28 17 o 62.74234 0.8319041 39.42984       1.042985  41.24621       1.513696  37.78800       1.439134  2.745239       1.663808  
1 1 1 11  28 18 o 30.11716 0.6826973 9.086641       0.4109437 8.967036       0.5693147 9.216746       0.5937814 -0.4116268     1.365395  
1 1 1 11  28 19 o 79.65994 0.9674595 63.71408       1.540764  65.14075       2.216865  62.38097       2.142953  1.719620       1.934919  
1 1 1 11  28 20 o 40.90247 0.7461373 16.82966       0.6065475 17.29761       0.8200020 16.26429       0.9013296 1.273933       1.492275  
1 1 1 11  28 21 o 29.90158 0.7609523 8.975737       0.4534350 9.971147       0.6475246 8.017973       0.6351621 3.264271       1.521905  
1 1 1 11  28 22 o 41.23700 1.563389  16.14478       0.8912782 18.79780       2.473286  15.74884       0.9554741 3.262791       3.126779  
1 1 1 11  28 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  28 24 o 12.25121 1.185871  1.547526       0.2669353 2.265103       0.3950215 0.9444820      0.3621269 5.521670       2.371741  
1 1 1 11  28 25 o 16.77525 0.8984500 2.812667       0.3005002 3.131055       0.4429525 2.541197       0.4090162 1.751307       1.796900  
1 1 1 11  28 26 o 14.12122 0.9941738 2.005403       0.2807104 2.054687       0.4022861 1.958634       0.3918870 0.3378229      1.988348  
1 1 1 11  28 27 o 33.66907 0.8047053 11.37939       0.5417783 11.64256       0.7743972 11.12710       0.7582386 0.7625160      1.609411  
1 1 1 11  28 28 o 53.82655 0.9754232 28.89546       1.043723  26.87769       1.386209  31.53668       1.585972  -4.280949      1.950846  
1 1 1 11  28 29 o 24.05689 0.8136672 5.817554       0.3910660 5.490433       0.5515901 6.148162       0.5545233 -1.366428      1.627334  
1 1 1 11  28 30 o 10.88292 1.227243  1.195406       0.2669489 1.232256       0.3860702 1.161647       0.3695189 0.3194485      2.454486  
1 1 1 11  28 31 o 32.64011 1.161530  0.000000       0.000000  ?              ?         10.70598       0.7582495 ?              ?         
1 1 1 11  29 0  o 81.64539 0.9725330 66.62746       1.583062  63.64445       2.138796  70.24177       2.354259  -4.011726      1.945066  
1 1 1 11  29 1  o 50.01566 0.7350339 25.05618       0.7350940 25.69206       1.052760  24.45117       1.026883  1.237915       1.470068  
1 1 1 11  29 2  f 48.87762 0.7277755 23.75557       0.7083179 22.02227       0.9489447 25.93627       1.064392  -3.992367      1.455551  
1 1 1 11  29 3  o 35.21841 0.6694244 12.41672       0.4712141 13.06682       0.6751866 11.79941       0.6579427 1.797760       1.338849  
1 1 1 11  29 4  o 16.88305 0.8290758 2.833462       0.2776123 2.360585       0.3755684 3.403048       0.4121880 -3.083086      1.658152  
1 1 1 11  29 5  f 70.61998 1.025589  50.67895       1.420458  53.59031       1.868291  46.69049       2.186752  4.931114       2.051179  
1 1 1 11  29 6  o 50.00248 0.9224359 25.03139       0.9211597 24.04374       1.262046  26.15746       1.347591  -2.102203      1.844872  
1 1 1 11  29 7  o 35.99408 0.7980832 12.91969       0.5729731 14.11721       0.8469887 11.90928       0.7780113 3.059044       1.596166  
1 1 1 11  29 8  o 24.38923 0.7630687 5.962901       0.3721184 5.972484       0.5206417 5.952895       0.5320536 0.4143333E-01  1.526137  
1 1 1 11  29 9  o 26.66137 0.7197978 7.062549       0.3812582 7.637298       0.5810362 6.627977       0.5052364 1.884790       1.439596  
1 1 1 11  29 10 o 43.21068 0.7067969 18.68427       0.6098943 18.24589       0.8359077 19.18327       0.8918490 -1.078667      1.413594  
1 1 1 11  29 11 o 44.43809 0.7110819 19.69386       0.6302100 18.50048       0.8531089 21.12739       0.9350148 -2.946484      1.422164  
1 1 1 11  29 12 o 54.30749 0.7647004 29.52513       0.8294531 28.69176       1.138000  30.46960       1.211494  -1.627506      1.529401  
1 1 1 11  29 13 o 51.41118 0.7527825 26.34178       0.7711505 24.68885       1.037278  28.38419       1.153025  -3.578861      1.505565  
1 1 1 11  29 14 o 66.17868 0.8540837 43.95557       1.130427  44.18770       1.597833  43.72295       1.599498  0.3513794      1.708167  
1 1 1 11  29 15 o 22.71921 0.7224619 5.152759       0.3272730 4.626051       0.4481254 5.754775       0.4790927 -2.480137      1.444924  
1 1 1 11  29 16 f 25.56263 0.7193719 6.557189       0.3663809 7.306469       0.5234166 5.837374       0.5130213 2.872200       1.438744  
1 1 1 11  29 17 o 39.19364 0.7374277 15.40782       0.5732577 15.43284       0.7635327 15.37550       0.8678707 0.8703232E-01  1.474855  
1 1 1 11  29 18 o 51.47609 0.8559946 26.69850       0.8628187 27.09416       1.116762  26.11256       1.359018  0.9922447      1.711989  
1 1 1 11  29 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  29 20 o 20.28399 1.204520  4.131266       0.4886493 4.131266       0.4886493 ?              ?         ?              ?         
1 1 1 11  29 21 o 62.65425 1.070944  39.52142       1.341977  39.64272       1.897361  39.40000       1.898325  0.1939087      2.141887  
1 1 1 11  29 22 o 21.96468 0.8226757 4.830197       0.3598096 4.228981       0.4951500 5.502869       0.5237489 -2.894619      1.645351  
1 1 1 11  29 23 o 37.98495 0.8264722 14.39017       0.6255318 13.32946       0.8416439 15.69915       0.9349689 -3.102238      1.652944  
1 1 1 11  29 24 o 21.47443 0.8203710 4.631576       0.3522831 4.649088       0.4943174 4.613500       0.5021829 0.8431625E-01  1.640742  
1 1 1 11  29 25 o 35.42500 0.8147893 12.60854       0.5770682 12.78864       0.8090261 12.42201       0.8233579 0.5202141      1.629579  
1 1 1 11  29 26 o 16.04448 0.9389709 2.579556       0.3005095 2.735906       0.4452156 2.448714       0.4072824 0.8860798      1.877942  
1 1 1 11  29 27 o 34.66082 0.8136712 11.94564       0.5610723 10.81779       0.7488053 13.38948       0.8472314 -3.689987      1.627342  
1 1 1 11  29 28 o 23.39314 0.8295250 5.497513       0.3878018 5.205903       0.5436749 5.799564       0.5533214 -1.266901      1.659050  
1 1 1 11  30 0  o 35.86156 0.6865708 12.88489       0.4923946 12.80488       0.6914401 12.96722       0.7013683 -0.2253380     1.373142  
1 1 1 11  30 1  o 65.39780 0.8411805 42.50727       1.093235  39.64146       1.450092  46.28104       1.664028  -5.049374      1.682361  
1 1 1 11  30 2  o 28.04960 0.6862487 7.891015       0.3845638 8.086788       0.5358868 7.683147       0.5521902 0.7212105      1.372497  
1 1 1 11  30 3  o 16.13271 0.8679887 2.628700       0.2740543 3.341255       0.3955082 1.970605       0.3800939 4.246023       1.735977  
1 1 1 11  30 4  o 43.19245 0.7058342 18.69746       0.6097276 18.81534       0.8630026 18.57997       0.8615690 0.2723007      1.411668  
1 1 1 11  30 5  o 81.36332 0.9778872 66.47256       1.591047  67.60499       2.273923  65.38639       2.226973  1.355927       1.955774  
1 1 1 11  30 6  o 50.41508 0.7461357 25.48280       0.7521862 26.16559       1.068067  24.81095       1.059488  1.342419       1.492271  
1 1 1 11  30 7  o 12.78739 0.9469807 1.637430       0.2418051 1.524701       0.3323282 1.764251       0.3524897 -0.9333887     1.893961  
1 1 1 11  30 8  o 27.73047 0.6916188 7.563747       0.3798077 6.388221       0.5010571 9.151456       0.5823132 -4.972500      1.383238  
1 1 1 11  30 9  o 63.06772 0.8340439 39.88838       1.051239  39.30898       1.454541  40.52197       1.521041  -0.9518967     1.668088  
1 1 1 11  30 10 o 35.63512 0.7474802 12.64715       0.5232192 12.29096       0.6745553 13.18509       0.8289766 -1.234249      1.494960  
1 1 1 11  30 11 o 36.40152 0.8042807 13.29352       0.5855396 13.32970       0.8286622 13.25744       0.8274952 0.9908676E-01  1.608561  
1 1 1 11  30 12 o 18.09183 0.8654625 3.264408       0.3089516 2.580323       0.4194872 4.075360       0.4567319 -4.126110      1.730925  
1 1 1 11  30 13 o 35.26961 0.7993812 12.48165       0.5638247 12.59363       0.7943976 12.36797       0.8003730 0.3207779      1.598762  
1 1 1 11  30 14 o 50.96581 0.8959724 25.97661       0.9070095 26.99432       1.376228  25.19513       1.205977  1.736233       1.791945  
1 1 1 11  30 15 o 26.49344 2.244348  9.074806       0.6406104 5.278747       1.852068  9.590683       0.6827531 -8.846275      4.488695  
1 1 1 11  30 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 11  30 17 o 54.73698 0.9782737 30.05287       1.069125  28.93558       1.460957  31.34109       1.568733  -2.175903      1.956547  
1 1 1 11  30 18 o 46.94251 0.8989047 22.10642       0.8428999 21.39721       1.157643  22.90667       1.229698  -1.593689      1.797809  
1 1 1 11  30 19 f 47.15738 0.9012248 22.15939       0.8454916 20.55172       1.127028  24.22886       1.278692  -3.868256      1.802450  
1 1 1 11  30 20 o 76.16061 1.244587  58.52224       1.894870  59.89777       2.731644  57.24648       2.630707  1.712906       2.489174  
1 1 1 11  30 21 o 18.29198 0.8654417 3.359945       0.3162276 3.135506       0.4415155 3.596356       0.4531377 -1.257429      1.730883  
1 1 1 11  30 22 o 45.42590 0.8839235 20.73200       0.8027724 20.37428       1.117269  21.11376       1.154216  -0.8062592     1.767847  
1 1 1 11  30 23 o 52.39125 0.9570540 27.62383       1.002794  27.89861       1.424227  27.35369       1.412180  0.5171852      1.914108  
1 1 1 11  30 24 o 36.86448 0.8198547 13.53694       0.6017793 12.36789       0.8066170 15.00442       0.9037271 -3.556118      1.639709  
1 1 1 11  30 25 o 42.94639 0.8684407 18.52841       0.7455882 18.16602       1.035600  18.91840       1.074306  -0.8677216     1.736881  
1 1 1 11  30 26 o 40.01531 1.217267  0.000000       0.000000  ?              ?         16.09865       0.9741861 ?              ?         
1 1 1 11  31 0  o 6.574752 1.555853  0.4115151      0.2408506 0.3868815      0.3387253 0.4367060      0.3425350 -0.2719145     3.111705  
1 1 1 11  31 1  o 27.05313 0.7053555 7.336500       0.3815153 7.322608       0.5325041 7.351150       0.5468711 -0.5096626E-01 1.410711  
1 1 1 11  31 2  f 76.89103 0.9411169 59.36948       1.447093  60.33938       2.065906  58.43520       2.027629  1.231888       1.882234  
1 1 1 11  31 3  o 23.99924 0.7454649 5.759351       0.3571446 5.297408       0.4918774 6.274443       0.5194035 -2.031935      1.490930  
1 1 1 11  31 4  o 99.37526 1.141695  99.22057       2.265944  96.22874       3.106925  102.6203       3.311948  -3.174454      2.283390  
1 1 1 11  31 5  o 92.54196 1.082996  86.12650       2.003997  85.30476       2.799342  86.99034       2.870144  -0.8970718     2.165991  
1 1 1 11  31 6  o 61.45660 0.8251289 37.85226       1.013166  36.90250       1.395584  38.91065       1.473235  -1.622272      1.650258  
1 1 1 11  31 7  o 51.22260 0.7514396 26.28170       0.7691562 25.56722       1.061377  27.07188       1.116194  -1.461208      1.502879  
1 1 1 11  31 8  o 5.800685 1.451707  0.2710660      0.2208877 0.9006158E-01  0.3154435 0.4452108      0.3094085 -1.725186      2.903414  
1 1 1 11  31 9  o 22.06527 0.7568119 4.928563       0.3309211 5.446620       0.4558935 4.351612       0.4811100 2.484928       1.513624  
1 1 1 11  31 10 o 30.48526 0.7164666 9.342427       0.4339436 9.528329       0.5844443 9.114025       0.6478143 0.6884251      1.432933  
1 1 1 11  31 11 o 21.50685 2.057921  6.084530       0.5435019 3.228868       1.335536  6.651330       0.5950000 -8.469887      4.115842  
1 1 1 11  31 12 o 48.88873 2.427842  24.30127       2.373881  24.30127       2.373881  ?              ?         ?              ?         
1 1 1 11  31 13 o 26.38097 0.7997290 6.964271       0.4210669 7.628744       0.6131082 6.371083       0.5792872 2.378016       1.599458  
1 1 1 11  31 14 o 31.17160 0.7882246 9.746233       0.4911999 9.424761       0.6835096 10.08958       0.7063779 -1.062405      1.576449  
1 1 1 11  31 15 o 27.58120 0.7866397 7.619010       0.4334192 8.079039       0.6306636 7.207273       0.5966448 1.574392       1.573279  
1 1 1 11  31 16 o 6.067221 1.512972  0.2821152      0.2341337 0.5108022      0.3622113 0.1179812      0.3068602 2.146321       3.025945  
1 1 1 11  31 17 o 26.69198 0.7848997 7.150813       0.4186841 6.770925       0.5869408 7.544381       0.5974157 -1.447012      1.569799  
1 1 1 11  31 18 o 8.366055 1.474918  0.7240504      0.2495963 0.9644271      0.3692763 0.5218669      0.3386711 2.435028       2.949836  
1 1 1 11  31 19 f 40.30727 0.8430537 16.31591       0.6794202 16.74929       0.9752012 15.90715       0.9471051 1.038940       1.686107  
1 1 1 11  31 20 o 27.50079 0.7963800 7.511827       0.4354380 6.578199       0.5830491 8.689302       0.6547781 -3.823868      1.592760  
1 1 1 11  31 21 o 10.13630 1.313957  1.053762       0.2578596 1.369429       0.3801544 0.7847583      0.3509330 3.023903       2.627913  
1 1 1 11  31 22 o 45.81600 0.8922248 21.10462       0.8175083 21.33867       1.164382  20.87708       1.148054  0.5001640      1.784450  
1 1 1 11  31 23 o 44.97110 1.266564  0.000000       0.000000  ?              ?         20.34222       1.139176  ?              ?         
1 1 1 11  32 0  o 42.41132 0.7137652 18.03752       0.6053623 18.02119       0.8493973 18.05438       0.8629876 -0.3723145E-01 1.427530  
1 1 1 11  32 1  o 18.63079 0.8473589 3.505746       0.3130060 4.026089       0.4420455 2.982512       0.4432718 2.800882       1.694718  
1 1 1 11  32 2  o 36.78726 0.7071334 13.57045       0.5201043 13.55165       0.7261971 13.59024       0.7452500 -0.4977417E-01 1.414267  
1 1 1 11  32 3  o 40.87845 0.7189795 16.62080       0.5851762 15.30277       0.7836896 18.28172       0.8797420 -3.629913      1.437959  
1 1 1 11  32 4  o 86.53754 1.030725  75.24812       1.782174  73.45863       2.455971  77.23846       2.590124  -2.156334      2.061450  
1 1 1 11  32 5  o 44.36544 0.7286970 19.62288       0.6444423 18.27768       0.8694033 21.26334       0.9600875 -3.351585      1.457394  
1 1 1 11  32 6  o 29.35288 1.072447  7.992714       0.5106382 9.871861       1.175294  7.555444       0.5669456 3.815735       2.144893  
1 1 1 11  32 7  o 51.55307 1.744778  27.40075       1.600949  27.83338       1.886208  26.28604       3.027692  1.905540       3.489555  
1 1 1 11  32 8  o 15.40544 1.246256  2.384678       0.3839824 2.384678       0.3839824 ?              ?         ?              ?         
1 1 1 11  32 9  o 33.08583 0.7493821 10.95669       0.4884070 10.82170       0.6359529 11.15080       0.7625890 -0.4761963     1.498764  
1 1 1 11  32 10 o 36.04729 0.7808489 13.07035       0.5598935 13.31682       0.7575605 12.77365       0.8311664 0.7661552      1.561698  
1 1 1 11  32 11 o 62.44792 1.070619  39.27490       1.337138  39.55045       1.896402  39.00247       1.885642  0.4362068      2.141237  
1 1 1 11  32 12 o 48.88320 0.9167053 24.01871       0.8961078 23.82140       1.255064  24.22389       1.279875  -0.4066200     1.833411  
1 1 1 11  32 13 o 10.02641 1.348022  1.043596       0.2597773 1.149617       0.3846923 0.9547216      0.3522137 0.9510355      2.696044  
1 1 1 11  32 14 o 25.77477 0.7956144 6.671221       0.4101336 6.676867       0.5810080 6.665613       0.5790302 0.2146530E-01  1.591229  
1 1 1 11  32 15 f 28.56322 0.7893132 8.111005       0.4485323 9.299388       0.6722772 7.157639       0.6021430 3.735672       1.578626  
1 1 1 11  32 16 o 27.66823 0.7841539 7.685708       0.4334791 7.216109       0.6063559 8.176572       0.6199337 -1.732994      1.568308  
1 1 1 11  32 17 o 25.25910 0.8033172 6.293334       0.4019474 7.596865       0.6151518 5.322154       0.5309724 4.485996       1.606634  
1 1 1 11  32 18 f 22.86245 0.8272315 5.253601       0.3780514 5.062406       0.5350201 5.444261       0.5342716 -0.8352661     1.654463  
1 1 1 11  32 19 o 19.65246 0.8938096 3.894029       0.3440774 2.923212       0.4735106 4.980129       0.5008363 -5.227194      1.787619  
1 1 1 11  33 0  o 20.17279 1.379756  3.797858       0.4326648 4.646972       1.050695  3.624473       0.4747884 2.362854       2.759513  
1 1 1 11  33 1  f 49.56842 1.298143  24.81108       1.284014  24.55648       1.753710  25.10527       1.885146  -0.5157356     2.596286  
1 1 1 11  33 2  o 34.33504 2.000608  12.81797       1.179885  13.66557       1.385086  10.57610       2.252603  4.857693       4.001217  
1 1 1 11  33 3  f 12.29066 1.158226  1.495595       0.2818837 1.254664       0.3726769 1.817724       0.4309244 -2.275765      2.316453  
1 1 1 11  33 4  o 26.83801 0.7877643 7.309310       0.4181144 8.017381       0.5699502 6.484209       0.6152510 2.864166       1.575529  
1 1 1 11  33 5  o 35.29021 0.8008697 12.41173       0.5609011 11.80591       0.7412585 13.22328       0.8579400 -1.987297      1.601739  
1 1 1 11  33 6  o 7.332003 1.628044  0.5403059      0.2661796 0.4910108      0.3726697 0.5916445      0.3803162 -0.5354328     3.256087  
1 1 1 11  33 7  o 49.96676 0.9395741 24.94983       0.9352179 23.38578       1.255978  26.89614       1.401083  -3.481335      1.879148  
1 1 1 11  33 8  o 20.55331 0.8623208 4.242119       0.3537571 3.882589       0.4929597 4.623853       0.5079533 -1.800251      1.724642  
1 1 1 11  33 9  o 25.27725 0.8185652 6.349827       0.4112474 5.490065       0.5523632 7.419146       0.6160121 -3.803360      1.637130  
1 1 1 11  33 10 f 68.28348 1.146965  47.05591       1.566335  47.02735       2.206916  47.08490       2.223440  -0.3743744E-01 2.293930  
1 1 1 11  33 11 o 52.14520 0.9615375 27.32885       1.001581  26.56567       1.376307  28.18805       1.460322  -1.535236      1.923075  
1 1 1 11  33 12 o 21.86425 0.8273368 4.796496       0.3612567 5.175592       0.5209123 4.445224       0.5014327 1.666224       1.654674  
1 1 1 11  33 13 o 32.17664 0.8044446 10.34935       0.5164289 9.609528       0.7021998 11.22091       0.7621608 -2.492189      1.608889  
1 1 1 11  33 14 o 27.28039 0.8028747 7.378796       0.4350093 8.664719       0.6568626 6.374239       0.5805696 4.182930       1.605749  
1 1 1 11  33 15 o 30.24500 1.131125  0.000000       0.000000  ?              ?         9.189888       0.6842175 ?              ?         
1 1 1 11  34 0  o 20.95026 0.9308463 4.411533       0.3897744 4.196965       0.5426884 4.640152       0.5601758 -1.053680      1.861693  
1 1 1 11  34 1  o 27.36150 0.8608510 7.508125       0.4695366 8.405517       0.6808717 6.694366       0.6483700 3.119947       1.721702  
1 1 1 11  34 2  o 13.51297 1.178956  1.842680       0.3184637 1.764294       0.4441110 1.925651       0.4569131 -0.5932407     2.357912  
1 1 1 11  34 3  f 12.65467 1.209160  1.624652       0.3038247 1.397338       0.4283707 1.854751       0.4309872 -1.806496      2.418321  
1 1 1 11  34 4  o 53.95418 0.9892280 29.24938       1.065947  28.17973       1.460760  30.46771       1.558981  -2.095951      1.978456  
1 1 1 11  34 5  o 30.65335 0.8192299 9.394472       0.5010099 8.731463       0.6809427 10.17700       0.7397785 -2.345961      1.638460  
1 1 1 11  34 6  o 35.80399 0.8309153 12.76198       0.5922512 11.53229       0.7941272 14.30310       0.8890226 -3.850143      1.661831  
1 1 1 11  34 7  o 54.88978 0.9909906 30.32019       1.087651  30.96313       1.558773  29.71016       1.518365  1.131565       1.981981  
1 1 1 11  34 8  o 21.65215 0.8538675 4.678266       0.3677819 4.054185       0.4991804 5.419287       0.5439420 -3.142897      1.707735  
1 1 1 11  34 9  o 44.99200 1.115026  20.74736       0.9480000 19.39827       1.603983  21.47161       1.175230  -2.422981      2.230051  
1 1 1 12  0  0  o 339.4269 5.005974  1154.394       33.94615  1167.611       48.47313  1141.672       47.55427  -0.000000      0.000000  
1 1 1 12  0  1  o 531.1580 7.830647  2824.250       82.94872  2725.479       113.1866  2938.839       121.9133  -0.000000      0.000000  
1 1 1 12  0  2  o 136.1319 2.068962  185.5598       5.626417  188.2122       8.041635  183.0163       7.874895  -0.000000      0.000000  
1 1 1 12  0  3  o 31.94639 0.7566653 10.23891       0.4821923 10.16724       0.6751441 10.31354       0.6889102 -0.000000      0.000000  
1 1 1 12  0  4  o 496.3631 7.306420  2465.784       72.29816  2380.848       98.35965  2565.605       106.6305  -0.000000      0.000000  
1 1 1 12  0  5  o 537.0791 7.900332  2895.149       84.75503  2857.914       118.1529  2934.619       121.6469  -0.000000      0.000000  
1 1 1 12  0  6  o 314.3559 4.629292  990.2749       29.07165  1000.641       41.58327  980.3646       40.65933  -0.000000      0.000000  
1 1 1 12  0  7  f 602.6050 8.870862  3649.813       106.7886  3609.348       149.2688  3692.236       152.8383  -0.000000      0.000000  
1 1 1 12  0  8  o 222.9263 3.303194  497.9119       14.71280  499.6817       20.86773  496.1625       20.74689  -0.000000      0.000000  
1 1 1 12  0  9  o 437.0107 6.430770  1916.082       56.12459  1949.860       80.89809  1884.736       77.92943  -0.000000      0.000000  
1 1 1 12  0  10 o 236.8385 3.502015  562.1244       16.57196  561.0889       23.38357  563.1693       23.48937  -0.000000      0.000000  
1 1 1 12  0  11 o 371.1290 5.478186  1375.668       40.46642  1454.183       60.50286  1312.115       54.43344  -0.000000      0.000000  
1 1 1 12  0  12 o 143.0181 2.155868  204.6340       6.153734  199.5376       8.470915  210.3291       8.954605  -0.000000      0.000000  
1 1 1 12  0  13 o 101.6298 1.570988  103.3940       3.188347  101.4626       4.429049  105.4715       4.593451  -0.000000      0.000000  
1 1 1 12  0  14 o 31.45127 0.7997873 9.932548       0.5015485 9.701444       0.7098950 10.16287       0.7086998 -0.000000      0.000000  
1 1 1 12  0  15 o 90.12325 1.416056  81.35428       2.549471  80.70152       3.584593  82.02248       3.626770  -0.000000      0.000000  
1 1 1 12  0  16 o 81.15355 1.292762  65.96873       2.095826  65.56532       2.951470  66.37904       2.976582  -0.000000      0.000000  
1 1 1 12  0  17 f 158.1965 2.369263  250.2709       7.476758  242.7365       10.23298  258.8997       10.95096  -0.000000      0.000000  
1 1 1 12  0  18 o 101.3925 1.571427  102.9725       3.182865  103.6409       4.540565  102.3269       4.462939  -0.000000      0.000000  
1 1 1 12  0  19 o 253.3710 3.748117  643.9423       18.97425  641.1408       26.71494  646.7943       26.95394  -0.000000      0.000000  
1 1 1 12  0  20 o 215.5292 3.200574  464.5583       13.75168  448.6244       18.71090  483.2755       20.27927  -0.000000      0.000000  
1 1 1 12  0  21 f 54.72895 0.9942850 29.29314       1.069739  34.14073       1.706815  26.15709       1.372826  -0.000000      0.000000  
1 1 1 12  0  22 o 315.4398 4.659848  999.6946       29.36806  1004.902       41.77509  994.6061       41.29450  -0.000000      0.000000  
1 1 1 12  0  23 o 19.06474 1.029611  3.729622       0.3780952 2.787473       0.5249359 4.745339       0.5450456 -0.000000      0.000000  
1 1 1 12  0  24 o 62.33368 1.082104  38.83287       1.345236  37.09145       1.842265  40.82203       1.968949  -0.000000      0.000000  
1 1 1 12  0  25 o 70.19873 1.178664  49.04338       1.645670  45.92864       2.206083  52.95127       2.471050  -0.000000      0.000000  
1 1 1 12  0  26 o 94.63643 1.491629  89.74675       2.820094  89.70275       3.997551  89.79032       3.978943  -0.000000      0.000000  
1 1 1 12  0  27 o 416.5222 8.759101  1758.238       72.89533  1758.238       72.89533  1758.238       72.89533  -0.000000      0.000000  
1 1 1 12  0  28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  0  29 o 289.0399 6.076138  843.3319       35.09036  843.3319       35.09036  843.3319       35.09036  -0.000000      0.000000  
1 1 1 12  0  30 o 87.94109 1.406119  77.29620       2.464204  80.69183       3.641729  74.42838       3.346749  -0.000000      0.000000  
1 1 1 12  0  31 o 21.15286 0.9979256 4.209188       0.3976105 6.631345       0.6624498 2.845218       0.4971121 -0.000000      0.000000  
1 1 1 12  0  32 o 10.96436 1.626084  1.355407       0.3097372 1.264237       0.4702324 1.425278       0.4116575 -0.000000      0.000000  
1 1 1 12  0  33 o 18.22261 1.026386  3.373091       0.3666002 3.485484       0.5574337 3.287431       0.4866478 -0.000000      0.000000  
1 1 1 12  0  34 o 68.19365 1.172134  46.21758       1.587936  42.77232       2.115546  50.66354       2.403223  -0.000000      0.000000  
1 1 1 12  0  35 o 82.38288 1.345936  68.05389       2.214610  66.76339       3.096746  69.40475       3.168344  -0.000000      0.000000  
1 1 1 12  0  36 o 13.15257 1.444163  1.855480       0.3471639 1.804171       0.5422541 1.891119       0.4519254 -0.000000      0.000000  
1 1 1 12  0  37 o 67.72237 1.173338  45.84187       1.582138  48.02241       2.351273  44.03768       2.138757  -0.000000      0.000000  
1 1 1 12  0  38 o 56.56660 1.051397  32.04786       1.185324  32.96563       1.741077  31.25501       1.618256  -0.000000      0.000000  
1 1 1 12  0  39 o 5.245372 2.050761  0.2342305      0.3301121 0.7091402      0.5372584 -0.5380887E-01 0.4184116 -0.000000      0.000000  
1 1 1 12  0  40 o 17.62543 1.216389  3.213778       0.4135406 3.130790       0.6429766 3.272327       0.5400628 -0.000000      0.000000  
1 1 1 12  0  41 o 30.14472 0.9627072 9.020768       0.5716842 10.05846       0.8909865 8.294605       0.7453377 -0.000000      0.000000  
1 1 1 12  0  42 o 20.33720 1.167397  4.087737       0.4603509 5.031082       0.7402360 3.492794       0.5878581 -0.000000      0.000000  
1 1 1 12  0  43 o 8.887094 2.259746  1.093416       0.3816824 0.8388085      0.6001393 1.266348       0.4946011 -0.000000      0.000000  
1 1 1 12  0  44 o 9.879480 2.200865  1.168164       0.4090701 1.922118       0.6564994 0.6896364      0.5230169 -0.000000      0.000000  
1 1 1 12  0  45 o 18.87104 1.282454  3.570389       0.4673465 4.209084       0.7523190 3.169035       0.5963747 -0.000000      0.000000  
1 1 1 12  0  46 o 75.89249 1.308337  57.91799       1.983039  56.79444       2.794354  59.05791       2.814636  -0.000000      0.000000  
1 1 1 12  0  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  0  48 o 46.00418 1.426163  21.27922       1.309413  21.27922       1.309413  21.27922       1.309413  -0.000000      0.000000  
1 1 1 12  0  49 o 21.63284 1.236915  4.762103       0.5214214 4.961842       0.8117959 4.621829       0.6803086 -0.000000      0.000000  
1 1 1 12  0  50 o 14.52703 1.970969  2.346795       0.4970396 2.187831       0.7843502 2.453466       0.6425169 -0.000000      0.000000  
1 1 1 12  0  51 o 30.24204 1.097990  9.273767       0.6538509 9.090199       0.9909487 9.415310       0.8701525 -0.000000      0.000000  
1 1 1 12  0  52 o 62.85755 1.201209  39.65712       1.500892  41.13021       2.247488  38.47135       2.016427  -0.000000      0.000000  
1 1 1 12  0  53 f 9.794752 2.398131  1.392558       0.4968964 0.6510309      0.7903075 1.877327       0.6389988 -0.000000      0.000000  
1 1 1 12  1  0  o 127.6856 1.363697  161.2627       3.450922  150.6235       4.529391  175.9842       5.327962  -9.928238      2.727394  
1 1 1 12  1  1  o 454.9265 4.718413  2071.242       42.90088  2115.556       62.06786  2030.704       59.36439  9.293274       9.436826  
1 1 1 12  1  2  o 339.1880 3.522831  1150.556       23.87980  1127.409       33.01020  1175.968       34.58725  -7.143341      7.045662  
1 1 1 12  1  3  f 193.6081 2.027653  374.8880       7.850065  371.1649       10.98108  378.7793       11.22632  -1.965073      4.055306  
1 1 1 12  1  4  o 159.9632 1.686905  255.4156       5.387317  264.3940       7.904844  247.6285       7.361750  5.237762       3.373811  
1 1 1 12  1  5  o 444.4988 4.610950  1979.153       40.98501  1960.664       57.36697  1998.428       58.57502  -4.230560      9.221901  
1 1 1 12  1  6  o 547.9427 5.690544  3008.505       62.30304  2943.293       85.91740  3080.825       90.47910  -12.46246      11.38109  
1 1 1 12  1  7  o 310.7629 3.232661  964.6465       20.05478  933.7639       27.38299  1000.376       29.45357  -10.69296      6.465321  
1 1 1 12  1  8  o 349.8683 3.634253  1225.817       25.42834  1233.894       36.22356  1217.970       35.70425  2.268036       7.268507  
1 1 1 12  1  9  o 176.6885 2.020284  309.0810       6.967052  298.0772       8.855717  326.9543       11.28636  -8.150024      4.040567  
1 1 1 12  1  10 o 506.2406 6.081948  2569.237       61.44331  2482.298       83.64506  2671.130       90.55344  -18.44601      12.16390  
1 1 1 12  1  11 o 60.45642 0.8112845 35.13442       0.9353840 32.18217       1.140433  41.20300       1.635071  -7.458473      1.622569  
1 1 1 12  1  12 o 94.72617 1.042664  89.66795       1.974023  87.72443       2.731840  91.79162       2.855655  -2.146057      2.085328  
1 1 1 12  1  13 o 203.9388 3.023570  416.6117       12.33244  416.7634       17.46025  416.4607       17.42123  0.7344055E-01  6.047141  
1 1 1 12  1  14 f 167.1077 1.766178  276.8726       5.856059  299.0631       8.982268  260.4677       7.723068  11.53165       3.532356  
1 1 1 12  1  15 o 193.5237 2.031068  374.8618       7.861135  375.6970       11.14378  374.0345       11.09105  0.4286652      4.062136  
1 1 1 12  1  16 o 169.8362 1.790128  287.8238       6.065767  299.9725       8.960330  277.5467       8.241290  6.591995       3.580256  
1 1 1 12  1  17 o 157.3329 1.663340  247.4526       5.229776  242.1440       7.224962  253.2956       7.579835  -3.539337      3.326679  
1 1 1 12  1  18 o 213.4516 2.235601  456.1650       9.543839  456.5026       13.51037  455.8287       13.48373  0.1573486      4.471202  
1 1 1 12  1  19 o 112.8424 1.224113  127.2390       2.759990  124.2891       3.804806  130.5150       4.009678  -2.756409      2.448226  
1 1 1 12  1  20 o 217.0539 2.272890  471.7781       9.866596  470.1629       13.90156  473.4176       14.00597  -0.7474518     4.545780  
1 1 1 12  1  21 o 112.8577 1.224711  127.0221       2.757633  132.9817       4.075246  121.9883       3.745368  4.866211       2.449423  
1 1 1 12  1  22 f 134.1063 1.433549  179.8963       3.843815  182.5507       5.517571  177.3933       5.357896  1.920303       2.867099  
1 1 1 12  1  23 o 160.7921 1.702584  257.7064       5.455573  246.6822       7.351805  271.2171       8.138763  -7.612778      3.405168  
1 1 1 12  1  24 o 169.4690 1.790550  287.5709       6.068735  286.5439       8.550671  288.6133       8.614661  -0.6088867     3.581099  
1 1 1 12  1  25 o 97.08575 1.401393  93.40615       2.635181  98.02757       4.349686  90.72637       3.312226  3.736732       2.802786  
1 1 1 12  1  26 o 131.5125 1.998161  173.3037       5.255058  174.6116       7.499331  172.0418       7.366010  0.9719696      3.996322  
1 1 1 12  1  27 o 137.4611 1.794086  190.4278       4.696251  192.9653       5.832953  185.7519       7.918059  2.706787       3.588171  
1 1 1 12  1  28 o 214.5120 2.254209  461.5968       9.666012  470.1010       13.94258  453.7269       13.41243  3.785446       4.508417  
1 1 1 12  1  29 f 74.86420 1.068728  56.15608       1.509886  56.26323       1.851712  55.94348       2.608208  0.2385406      2.137455  
1 1 1 12  1  30 o 107.8772 1.670934  116.6618       3.604557  118.1895       5.153139  115.1982       5.043845  1.380188       3.341867  
1 1 1 12  1  31 o 45.75327 0.7858272 20.73007       0.6777917 21.59760       1.186097  20.30941       0.8259318 1.396381       1.571654  
1 1 1 12  1  32 o 35.79106 0.6147258 12.76990       0.4392081 11.83998       0.6016201 13.83109       0.6426790 -2.780434      1.229452  
1 1 1 12  1  33 o 39.94026 0.6311841 15.95750       0.5041283 16.18243       0.7200488 15.74124       0.7060474 0.5518723      1.262368  
1 1 1 12  1  34 f 100.6331 1.116747  101.4613       2.247625  101.2912       3.173573  101.6326       3.183694  -0.1690598     2.233493  
1 1 1 12  1  35 o 120.0790 1.306968  144.4116       3.135648  148.4348       4.558812  140.7992       4.319789  3.161385       2.613935  
1 1 1 12  1  36 o 85.59333 0.9790450 73.30639       1.674469  71.37027       2.309073  75.45379       2.431803  -2.377213      1.958090  
1 1 1 12  1  37 o 81.74046 0.9456157 66.92233       1.545709  66.20988       2.165256  67.66268       2.207273  -0.8858643     1.891231  
1 1 1 12  1  38 o 44.16503 0.6697788 19.50443       0.5912718 18.89039       0.8193938 20.17150       0.8540518 -1.448467      1.339558  
1 1 1 12  1  39 o 62.53121 0.7884458 38.84219       0.9807875 36.20966       1.307191  42.23312       1.483579  -4.803844      1.576892  
1 1 1 12  1  40 o 36.56990 0.6585574 13.38326       0.4815305 12.98317       0.6725434 13.80409       0.6897566 -1.121231      1.317115  
1 1 1 12  1  41 o 21.93694 0.8950905 4.957753       0.3810872 4.114340       0.5822458 5.589835       0.5040494 -3.370478      1.790181  
1 1 1 12  1  42 o 10.37036 1.932073  1.121032       0.4007872 1.160138       0.6326417 1.094816       0.5179925 0.3260994      3.864146  
1 1 1 12  1  43 o 19.40354 0.8268502 3.787272       0.3186448 4.336339       0.4534328 3.251565       0.4478821 2.794701       1.653700  
1 1 1 12  1  44 o 15.23658 0.9935976 2.327710       0.3010401 2.003196       0.4166160 2.682276       0.4354802 -2.225895      1.987195  
1 1 1 12  1  45 o 17.95525 1.043486  3.220570       0.3653720 3.317971       0.5898213 3.159920       0.4654263 0.4212284      2.086972  
1 1 1 12  1  46 o 34.77939 1.009433  12.04144       0.6963276 12.97985       1.069668  11.35132       0.9173080 2.316620       2.018866  
1 1 1 12  1  47 o 35.32825 0.7158488 12.51134       0.5057641 12.69115       0.7192865 12.33551       0.7112973 0.5023308      1.431698  
1 1 1 12  1  48 o 10.49254 1.901730  1.035189       0.3713252 0.8463284      0.4362423 1.531909       0.7074787 -3.032273      3.803460  
1 1 1 12  1  49 o 22.93130 1.029816  5.322865       0.4692363 4.865024       0.6832361 5.731610       0.6455655 -1.897154      2.059632  
1 1 1 12  1  50 o 36.62866 0.7379194 13.44826       0.5402989 14.03805       0.7770281 12.89617       0.7517930 1.554722       1.475839  
1 1 1 12  1  51 o 28.51638 0.7866617 8.145260       0.4474134 9.040390       0.6482087 7.330762       0.6183248 2.992439       1.573323  
1 1 1 12  1  52 f 25.52485 0.8455314 6.516318       0.4298790 5.739512       0.5881981 7.406937       0.6298149 -3.257851      1.691063  
1 1 1 12  1  53 o 30.76084 0.7958621 9.465244       0.4880834 10.59289       0.7135248 8.473580       0.6691214 3.436174       1.591724  
1 1 1 12  2  0  o 456.3749 4.732972  2086.106       43.19978  2081.257       60.93470  2091.006       61.25399  -1.064270      9.465944  
1 1 1 12  2  1  o 61.96507 0.7363480 37.64387       0.9005580 34.01798       1.164294  43.04369       1.420841  -7.282413      1.472696  
1 1 1 12  2  2  o 396.8264 4.117315  1576.649       32.67493  1566.768       45.88888  1586.812       46.53660  -2.518219      8.234630  
1 1 1 12  2  3  o 326.0029 3.388258  1063.748       22.09129  1060.935       31.13915  1066.599       31.34548  -0.8665771     6.776515  
1 1 1 12  2  4  o 261.1522 2.719876  681.0923       14.18192  660.8214       19.39269  704.3965       20.79297  -8.331421      5.439753  
1 1 1 12  2  5  o 330.6751 3.435481  1094.349       22.71562  1107.620       32.53411  1081.726       31.73044  3.906342       6.870962  
1 1 1 12  2  6  o 251.8103 2.623493  633.5094       13.19441  616.4839       18.10313  652.8026       19.27102  -7.200867      5.246986  
1 1 1 12  2  7  o 241.2310 3.561085  582.5851       17.17697  577.0169       23.99286  588.4399       24.60241  -2.359421      7.122171  
1 1 1 12  2  8  o 140.7755 1.494676  197.4305       4.193982  189.1557       5.658756  207.5157       6.247174  -6.517380      2.989353  
1 1 1 12  2  9  o 109.6990 1.187328  120.3346       2.604544  121.7273       3.724563  119.0018       3.643538  1.241821       2.374657  
1 1 1 12  2  10 o 111.3204 1.202239  123.7300       2.672850  127.8332       3.907521  120.1219       3.664166  3.462128       2.404477  
1 1 1 12  2  11 o 31.48402 0.5499546 9.785440       0.3440611 8.638181       0.4577488 11.27531       0.5216393 -4.187851      1.099909  
1 1 1 12  2  12 o 132.7842 1.415366  176.3681       3.758612  175.5393       5.287086  177.2150       5.344337  -0.6304932     2.830732  
1 1 1 12  2  13 o 152.5931 1.614372  232.6566       4.921389  226.8635       6.771741  239.1416       7.164659  -4.018906      3.228744  
1 1 1 12  2  14 o 102.4178 1.115991  104.8985       2.285553  103.7224       3.196548  106.1286       3.269196  -1.174088      2.231982  
1 1 1 12  2  15 o 85.71982 0.9568387 73.03176       1.632478  69.08268       2.182971  78.04239       2.458932  -5.224022      1.913677  
1 1 1 12  2  16 o 82.07112 0.9221618 67.36638       1.513610  67.73885       2.150872  67.00098       2.130411  0.4493790      1.844324  
1 1 1 12  2  17 o 102.5926 1.122091  104.6778       2.291641  111.3088       3.446553  99.42314       3.068100  5.789307       2.244183  
1 1 1 12  2  18 o 226.4950 2.368133  513.6996       10.72730  512.4457       15.13068  514.9669       15.21102  -0.5549164     4.736265  
1 1 1 12  2  19 o 169.1861 1.784786  286.3352       6.036729  291.1173       8.688004  281.8713       8.394032  2.727707       3.569571  
1 1 1 12  2  20 o 112.9553 1.225665  127.4204       2.765406  131.8789       4.035890  123.4745       3.796801  3.717384       2.451331  
1 1 1 12  2  21 o 47.35042 0.6530839 22.42256       0.6184497 22.71572       0.8774769 22.13319       0.8717910 0.6150818      1.306168  
1 1 1 12  2  22 f 202.6052 2.292406  412.2807       9.245366  398.6263       13.62454  423.9344       12.58687  -6.272720      4.584813  
1 1 1 12  2  23 o 170.0549 2.544256  289.8471       8.653063  288.4677       12.18675  291.2497       12.28844  -0.8146820     5.088513  
1 1 1 12  2  24 o 98.87442 1.548564  97.75536       3.059445  100.1930       4.442243  95.55580       4.219745  2.339851       3.097128  
1 1 1 12  2  25 o 125.8821 1.652951  159.6954       3.966780  162.1546       4.935734  155.2093       6.666256  2.804901       3.305901  
1 1 1 12  2  26 o 250.3465 2.621691  628.5667       13.11704  642.5958       18.98950  615.7645       18.14023  5.315430       5.243381  
1 1 1 12  2  27 o 32.97201 0.6083239 10.81715       0.4000918 9.935824       0.5440906 11.85477       0.5903689 -2.909319      1.216648  
1 1 1 12  2  28 f 74.28574 0.8655835 55.18435       1.285522  56.28432       1.849323  54.15586       1.788221  1.431206       1.731167  
1 1 1 12  2  29 o 150.7892 1.606389  227.6808       4.840550  233.1482       7.018004  222.7195       6.685255  3.440964       3.212778  
1 1 1 12  2  30 o 93.30093 1.042431  87.08356       1.944139  88.86189       2.805665  85.44098       2.696443  1.829338       2.084862  
1 1 1 12  2  31 o 35.99504 0.7598590 13.34832       0.5203215 14.38118       0.6578379 11.62237       0.8503772 3.838154       1.519718  
1 1 1 12  2  32 o 42.35793 0.8946528 17.94377       0.7566786 17.68261       1.037566  18.24047       1.105911  -0.6557198     1.789306  
1 1 1 12  2  33 f 19.27774 0.8328533 3.863080       0.3072798 3.123211       0.4823095 4.368567       0.3986607 -3.233397      1.665707  
1 1 1 12  2  34 f 47.74836 0.6694867 22.77177       0.6387193 23.86267       0.9280927 21.79018       0.8803669 2.168499       1.338973  
1 1 1 12  2  35 o 36.82796 0.6356410 13.47960       0.4665898 12.30558       0.6305395 14.90055       0.6936867 -3.520752      1.271282  
1 1 1 12  2  36 o 71.50417 0.8539272 51.16306       1.220519  52.31191       1.761781  50.10286       1.692454  1.540604       1.707854  
1 1 1 12  2  37 o 40.61504 0.6485761 16.50363       0.5267402 16.88963       0.7532779 16.13429       0.7368404 0.9291153      1.297152  
1 1 1 12  2  38 o 49.64407 0.7007841 24.35113       0.6907332 22.04462       0.9122295 27.45060       1.057474  -5.436352      1.401568  
1 1 1 12  2  39 o 61.53578 0.7848589 37.92598       0.9659274 37.78372       1.362125  38.06988       1.369964  -0.2319489     1.569718  
1 1 1 12  2  40 o 55.27180 1.037855  30.10576       1.132771  27.46090       1.467324  34.00729       1.782137  -5.888058      2.075710  
1 1 1 12  2  41 o 30.03946 0.6768808 9.034124       0.4065287 9.366552       0.5796813 8.712400       0.5702709 1.088123       1.353762  
1 1 1 12  2  42 o 48.67619 0.7125307 23.54728       0.6906442 25.81513       1.037402  21.74201       0.9255728 4.174255       1.425061  
1 1 1 12  2  43 o 57.05103 0.7655635 32.47299       0.8711632 30.68880       1.180105  34.60967       1.291430  -3.424980      1.531127  
1 1 1 12  2  44 o 26.87732 0.9678161 6.998347       0.5005692 8.162413       0.8557460 6.392866       0.6171721 3.259993       1.935632  
1 1 1 12  2  45 o 33.96901 0.8894385 11.62934       0.5964491 11.92721       0.7886469 11.23127       0.9116788 1.040306       1.778877  
1 1 1 12  2  46 f 24.00072 0.7750522 5.770208       0.3718432 5.996375       0.5358378 5.560127       0.5164305 0.9063873      1.550104  
1 1 1 12  2  47 o 27.78793 0.7422991 7.749625       0.4121744 8.029593       0.5786906 7.461357       0.5872079 1.023563       1.484598  
1 1 1 12  2  48 o 34.06953 0.7193577 11.63106       0.4900026 11.24944       0.6840351 12.03330       0.7022610 -1.148003      1.438715  
1 1 1 12  2  49 o 25.76261 0.8975084 6.753694       0.4515359 7.119799       0.5883032 6.228836       0.7043997 1.749611       1.795017  
1 1 1 12  2  50 o 39.56628 1.015517  15.81453       0.8004423 16.78379       1.108149  14.75709       1.157452  2.572025       2.031034  
1 1 1 12  2  51 o 9.427940 1.701479  0.9321712      0.3291306 0.6465315      0.4579785 1.237271       0.4733225 -2.823958      3.402958  
1 1 1 12  2  52 o 23.26288 0.8750340 5.443356       0.4067988 5.544553       0.5675867 5.336463       0.5833371 0.4505978      1.750068  
1 1 1 12  2  53 f 12.59128 1.681112  1.567199       0.4072820 2.065590       0.6653570 1.268551       0.5150510 3.294697       3.362225  
1 1 1 12  3  0  o 313.6913 4.616213  982.4424       28.87748  1025.177       42.82085  946.7952       39.10896  12.44809       9.232427  
1 1 1 12  3  1  o 513.2382 6.603549  2591.436       62.00819  2770.610       115.3596  2518.632       73.53471  23.80185       13.20710  
1 1 1 12  3  2  o 263.5986 3.515600  699.0342       18.42840  653.7536       26.98557  738.6045       25.22663  -16.11227      7.031200  
1 1 1 12  3  3  o 447.1402 6.572910  1988.181       58.30623  1870.863       76.85904  2147.226       89.48960  -30.65506      13.14582  
1 1 1 12  3  4  o 417.0701 5.000069  1739.501       41.62756  1684.805       56.80677  1802.935       61.17630  -14.09286      10.00014  
1 1 1 12  3  5  f 404.1025 4.200803  1635.731       33.95073  1632.058       47.88174  1639.445       48.14653  -0.9102173     8.401607  
1 1 1 12  3  6  o 208.0200 2.176427  432.9340       9.054782  432.1912       12.78705  433.6811       12.82383  -0.3578186     4.352854  
1 1 1 12  3  7  o 53.20785 0.6702032 27.89601       0.7069244 31.49483       1.091910  25.29903       0.9275597 5.821819       1.340406  
1 1 1 12  3  8  f 321.3712 3.341110  1033.210       21.45631  1057.398       31.12260  1011.300       29.62069  7.150146       6.682221  
1 1 1 12  3  9  o 199.2435 2.088034  396.4374       8.306877  384.5004       11.36411  410.1341       12.17295  -6.424667      4.176068  
1 1 1 12  3  10 o 262.5059 2.737622  689.8239       14.37224  692.6295       20.43472  687.0775       20.21785  1.054443       5.475244  
1 1 1 12  3  11 o 227.2253 2.374403  516.6118       10.78761  510.0021       15.04882  523.5986       15.47194  -2.986160      4.748806  
1 1 1 12  3  12 o 220.1804 2.301930  485.2372       10.13659  483.4863       14.28095  487.0150       14.39028  -0.7997437     4.603860  
1 1 1 12  3  13 o 82.18903 0.9229794 67.52290       1.516495  68.80116       2.184493  66.33382       2.106906  1.500519       1.845959  
1 1 1 12  3  14 f 138.3245 1.476740  189.1086       4.043033  207.0646       6.281417  176.4080       5.282801  11.06984       2.953479  
1 1 1 12  3  15 o 98.02736 1.074764  96.11432       2.107045  95.62542       2.964201  96.61365       2.995672  -0.5037842     2.149529  
1 1 1 12  3  16 o 271.7953 3.649806  743.8851       19.59498  761.1834       25.93212  720.8638       29.91586  7.529846       7.299612  
1 1 1 12  3  17 f 36.38870 0.5814354 13.23987       0.4231072 13.41301       0.6038561 13.07289       0.5930189 0.4672928      1.162871  
1 1 1 12  3  18 o 63.72661 0.7633286 40.52585       0.9713650 39.07674       1.329248  42.18650       1.422971  -2.439293      1.526657  
1 1 1 12  3  19 f 130.4451 1.396497  170.2068       3.642625  168.3320       5.091847  172.1720       5.213195  -1.470322      2.792994  
1 1 1 12  3  20 o 249.1100 3.198663  620.5334       14.94679  627.6501       26.22131  617.1080       18.19168  1.861237       6.397326  
1 1 1 12  3  21 o 138.8335 2.100520  192.5967       5.822364  186.4273       7.957698  199.7044       8.541386  -4.768326      4.201039  
1 1 1 12  3  22 o 137.0861 2.076160  187.7086       5.680396  181.1467       7.738832  195.3736       8.364144  -5.173920      4.152320  
1 1 1 12  3  23 o 99.18972 1.180286  98.55209       2.321679  99.34310       3.095636  97.53514       3.509954  0.9177856      2.360573  
1 1 1 12  3  24 o 81.11153 0.9268800 65.80797       1.503489  66.37536       2.142997  65.25797       2.109901  0.6883240      1.853760  
1 1 1 12  3  25 o 16.35241 0.7816120 2.697656       0.2524763 3.177599       0.3565965 2.215234       0.3575162 2.942594       1.563224  
1 1 1 12  3  26 o 58.62766 0.7371126 34.18512       0.8612774 32.10816       1.160141  36.73539       1.285550  -3.944393      1.474225  
1 1 1 12  3  27 o 124.8823 1.345370  156.0183       3.358064  152.8862       4.649181  159.4348       4.855580  -2.615379      2.690739  
1 1 1 12  3  28 o 71.53096 0.8439746 51.17271       1.207064  52.12782       1.732473  50.27169       1.682707  1.296257       1.687949  
1 1 1 12  3  29 o 33.63365 0.6077009 11.30424       0.4084770 11.93769       0.5874101 10.71110       0.5684059 1.823074       1.215402  
1 1 1 12  3  30 o 120.1312 1.301209  144.4948       3.125186  146.8457       4.492894  142.2912       4.349932  1.889038       2.602418  
1 1 1 12  3  31 o 113.7946 1.240452  129.6911       2.822355  131.5029       4.048986  127.9788       3.936226  1.542397       2.480905  
1 1 1 12  3  32 o 72.82129 0.8587676 52.76791       1.245659  56.46529       1.866790  49.80030       1.672445  4.568565       1.717535  
1 1 1 12  3  33 o 97.72386 1.411068  94.82864       2.669105  92.15208       3.352219  99.46441       4.411692  -3.665886      2.822135  
1 1 1 12  3  34 f 73.44682 1.218084  53.11710       1.768206  60.23864       2.771910  48.23095       2.296021  8.142807       2.436168  
1 1 1 12  3  35 o 24.66442 0.7407573 5.813134       0.3527695 7.151978       0.6016335 5.111649       0.4354878 4.128754       1.481515  
1 1 1 12  3  36 o 50.80773 0.6975832 25.78143       0.7079639 27.00789       1.033297  24.69629       0.9719418 2.271847       1.395166  
1 1 1 12  3  37 o 43.27438 0.6617374 18.73531       0.5725930 19.15269       0.8204747 18.33902       0.7994713 0.9391060      1.323475  
1 1 1 12  3  38 o 43.75322 0.6724016 19.14927       0.5881681 19.81665       0.8450047 18.52203       0.8191867 1.478004       1.344803  
1 1 1 12  3  39 o 27.44759 0.6794116 7.461821       0.3699359 6.254318       0.4977453 8.951932       0.5529327 -4.910633      1.358823  
1 1 1 12  3  40 o 49.77591 0.7108594 24.80875       0.7075969 25.12631       1.009827  24.50242       0.9918025 0.6253662      1.421719  
1 1 1 12  3  41 o 31.47812 0.6722599 9.910134       0.4227862 9.661622       0.5821247 10.18756       0.6150532 -0.8329277     1.344520  
1 1 1 12  3  42 o 26.01374 0.7195351 6.773987       0.3736615 6.219273       0.5206004 7.363408       0.5366387 -2.197685      1.439070  
1 1 1 12  3  43 o 28.61678 1.015702  8.256140       0.5766524 7.917573       0.8620413 8.530338       0.7757816 -1.082325      2.031404  
1 1 1 12  3  44 o 62.36160 0.8684018 38.83731       1.068036  38.02714       1.392037  39.99679       1.665290  -1.546150      1.736804  
1 1 1 12  3  45 o 19.52356 0.8570557 3.811257       0.3328744 3.291762       0.4577140 4.394487       0.4849791 -2.820673      1.714111  
1 1 1 12  3  46 o 48.62504 0.7363230 23.61940       0.7147176 25.14252       1.050705  22.30772       0.9750555 2.905754       1.472646  
1 1 1 12  3  47 o 37.76204 0.7069297 14.29660       0.5338458 14.41907       0.7516640 14.17195       0.7583239 0.3280373      1.413859  
1 1 1 12  3  48 o 29.43545 0.7473358 8.690163       0.4398459 8.947058       0.6235349 8.435721       0.6205480 0.8681641      1.494672  
1 1 1 12  3  49 o 21.42693 0.8698195 4.610741       0.3726835 4.612794       0.5221696 4.608609       0.5320783 0.1148415E-01  1.739639  
1 1 1 12  3  50 o 6.507227 1.646772  0.2741541      0.3097842 0.6578701      0.4185970 -0.1904573     0.4606129 2.989428       3.293543  
1 1 1 12  3  51 o 22.09037 1.218852  4.938055       0.5274574 4.988775       0.6826160 4.862896       0.8309407 0.3251019      2.437704  
1 1 1 12  3  52 o 25.17001 0.8661048 6.366271       0.4339156 7.228206       0.6246830 5.562654       0.6031803 3.304035       1.732210  
1 1 1 12  3  53 o 23.54010 1.018344  5.332403       0.4674523 4.498655       0.5867797 6.780617       0.7733464 -4.800457      2.036687  
1 1 1 12  4  0  f 623.7781 8.089648  3845.142       92.27090  3751.557       109.4795  4074.639       171.4423  -24.50763      16.17930  
1 1 1 12  4  1  o 118.4171 1.791205  139.8323       4.232498  134.2565       5.754918  146.4014       6.246576  -5.125458      3.582410  
1 1 1 12  4  2  o 162.4282 2.415426  263.7501       7.841162  258.6550       10.84921  269.3220       11.34559  -3.279953      4.830852  
1 1 1 12  4  3  o 462.1470 6.799211  2139.805       62.72204  2220.096       92.21429  2070.679       85.56336  16.02078       13.59842  
1 1 1 12  4  4  o 377.4719 4.833270  1414.815       33.88499  1463.642       60.90507  1392.926       40.77896  9.041107       9.666540  
1 1 1 12  4  5  o 78.86727 0.8930967 62.20558       1.408722  62.22616       1.992772  62.18503       1.991695  0.2607727E-01  1.786193  
1 1 1 12  4  6  o 590.9932 6.154103  3506.360       72.72427  3455.407       101.5423  3560.020       104.2047  -8.785828      12.30821  
1 1 1 12  4  7  o 39.59688 0.6157892 15.55241       0.4845253 13.27474       0.6560787 18.28508       0.7186299 -6.326515      1.231578  
1 1 1 12  4  8  o 241.3903 2.518402  583.1806       12.15835  582.5074       17.18170  583.8558       17.20733  -0.2789917     5.036804  
1 1 1 12  4  9  o 281.0141 2.926299  790.1891       16.43836  776.7607       22.81836  804.6769       23.70149  -4.953979      5.852599  
1 1 1 12  4  10 o 155.4249 1.643339  241.6627       5.108176  240.7401       7.192559  242.6015       7.255962  -0.5982513     3.286678  
1 1 1 12  4  11 o 184.4731 1.937484  340.4089       7.146324  336.0253       9.967775  345.0450       10.25103  -2.441422      3.874968  
1 1 1 12  4  12 o 171.4517 1.805386  293.0659       6.171677  307.2303       9.168991  281.3324       8.345194  7.542557       3.610773  
1 1 1 12  4  13 o 93.62120 1.031679  87.06618       1.921492  82.18504       2.563020  93.33041       2.903522  -5.949730      2.063358  
1 1 1 12  4  14 o 239.7511 2.503692  575.6140       12.00503  577.6512       17.04122  573.6069       16.91483  0.8408813      5.007384  
1 1 1 12  4  15 o 317.6933 3.307595  1009.639       20.97789  1045.321       30.79522  978.7449       28.65473  10.42212       6.615190  
1 1 1 12  4  16 o 108.3663 1.178297  117.4678       2.553727  117.2905       3.602017  117.6471       3.621088  -0.1643677     2.356595  
1 1 1 12  4  17 o 97.66501 1.532931  94.27615       2.965689  103.6328       4.592238  87.58192       3.884320  8.208061       3.065862  
1 1 1 12  4  18 o 86.73021 1.387319  74.86975       2.396897  79.46555       3.587946  71.16569       3.221100  4.780273       2.774638  
1 1 1 12  4  19 o 156.9001 2.356467  246.3708       7.390230  251.3977       10.67371  241.7421       10.24236  3.067261       4.712935  
1 1 1 12  4  20 o 148.8929 1.939662  221.9820       5.443379  222.0723       6.665007  221.8010       9.433151  0.1461945      3.879325  
1 1 1 12  4  21 o 194.6227 2.044618  378.7578       7.949286  389.5325       11.58185  369.1610       10.93040  5.218765       4.089237  
1 1 1 12  4  22 o 28.76822 0.6125952 8.160935       0.3490986 9.944720       0.5266165 6.762528       0.4662728 5.530298       1.225190  
1 1 1 12  4  23 o 26.45831 0.6072851 7.002865       0.3211605 7.312279       0.4556372 6.697353       0.4527557 1.162039       1.214570  
1 1 1 12  4  24 o 101.9781 1.120753  102.9447       2.266593  112.3585       3.488677  96.06865       2.981611  7.977898       2.241506  
1 1 1 12  4  25 o 30.80745 0.6122238 9.484202       0.3770468 9.136692       0.5245563 9.855670       0.5423375 -1.166695      1.224448  
1 1 1 12  4  26 f 40.40545 0.6232564 16.31632       0.5034334 15.87074       0.6993456 16.79557       0.7252876 -1.144089      1.246513  
1 1 1 12  4  27 o 69.43900 0.8256428 48.24061       1.146635  48.18499       1.622031  48.29616       1.621143  -0.8007050E-01 1.651286  
1 1 1 12  4  28 o 90.08844 1.010612  80.86078       1.814617  77.06561       2.446610  85.50118       2.705367  -4.674103      2.021224  
1 1 1 12  4  29 o 56.54614 0.7255598 31.91365       0.8193480 30.61795       1.122137  33.39332       1.199161  -2.452202      1.451120  
1 1 1 12  4  30 o 57.85160 0.7338885 33.44939       0.8485030 32.55094       1.172713  34.43649       1.229208  -1.628101      1.467777  
1 1 1 12  4  31 o 103.3039 1.139622  106.8750       2.354254  107.8329       3.361378  105.9527       3.298354  0.9068604      2.279245  
1 1 1 12  4  32 o 49.77768 0.6810278 24.77098       0.6776756 25.55514       0.9768177 24.04336       0.9409449 1.517380       1.362056  
1 1 1 12  4  33 o 77.78635 0.9042508 60.57394       1.406662  60.11602       1.974736  61.04564       2.004231  -0.5961533     1.808502  
1 1 1 12  4  34 o 31.39461 0.6280755 9.792101       0.3927178 11.11802       0.5817200 8.681756       0.5323339 3.878359       1.256151  
1 1 1 12  4  35 f 88.89711 1.416764  79.30934       2.518906  79.60966       3.560816  79.00853       3.563727  0.3383560      2.833528  
1 1 1 12  4  36 o 38.02663 0.8765689 14.46299       0.6651897 15.85973       0.9588947 13.16735       0.9235415 3.537945       1.753138  
1 1 1 12  4  37 o 57.32070 0.7510378 32.88907       0.8609027 32.34919       1.206877  33.44838       1.228409  -0.9575729     1.502076  
1 1 1 12  4  38 f 29.57295 0.6585600 8.733203       0.3890130 8.313679       0.5341172 9.207163       0.5677134 -1.508760      1.317120  
1 1 1 12  4  39 o 29.67338 0.6604942 8.812928       0.3918379 9.155845       0.5590519 8.481799       0.5493604 1.135157       1.320988  
1 1 1 12  4  40 o 33.73786 0.6620604 11.29227       0.4445836 10.02036       0.5981078 12.86274       0.6646096 -4.207836      1.324121  
1 1 1 12  4  41 o 60.73645 1.041677  36.30800       1.210946  39.43004       2.070338  34.68450       1.492960  3.838409       2.083355  
1 1 1 12  4  42 o 14.19305 1.419790  2.232017       0.3598484 2.879400       0.4768094 1.375350       0.5484914 5.492121       2.839581  
1 1 1 12  4  43 f 32.26583 0.6829734 10.43069       0.4406296 10.15710       0.6225687 10.70529       0.6237215 -0.8493824     1.365947  
1 1 1 12  4  44 f 8.587772 1.573773  0.7810141      0.2781758 0.9793451      0.3822059 0.5576181      0.4056390 2.172513       3.147546  
1 1 1 12  4  45 f 17.39323 0.9260701 3.037891       0.3219571 3.127717       0.4526298 2.945900       0.4580509 0.5234108      1.852140  
1 1 1 12  4  46 o 10.36277 1.439529  1.140982       0.2899026 1.602257       0.4095376 0.6776888      0.4104323 4.510855       2.879058  
1 1 1 12  4  47 o 52.68921 0.7598706 27.84167       0.8007349 27.76452       1.133220  27.91859       1.131602  -0.1464233     1.519741  
1 1 1 12  4  48 o 10.63947 1.475434  1.177261       0.3015027 1.121351       0.4048236 1.246903       0.4518147 -0.5571012     2.950868  
1 1 1 12  4  49 o 17.38385 1.010539  3.039012       0.3505357 2.770729       0.4899023 3.320458       0.5017757 -1.578756      2.021077  
1 1 1 12  4  50 o 21.23572 0.8820595 4.529640       0.3744577 4.464826       0.5204765 4.599185       0.5391428 -0.3126698     1.764119  
1 1 1 12  4  51 o 31.30627 0.7673786 9.823851       0.4801328 9.421517       0.6645573 10.26319       0.6944492 -1.339058      1.534757  
1 1 1 12  4  52 o 8.968245 2.018784  0.6397747      0.4195221 0.2490165      0.5202690 1.366140       0.7093350 -4.682049      4.037567  
1 1 1 12  4  53 o 29.03516 1.708032  0.000000       0.000000  ?              ?         8.516106       0.9918597 ?              ?         
1 1 1 12  5  0  o 198.9761 2.084078  395.8302       8.289306  389.2736       11.50334  402.9122       11.95542  -3.424332      4.168157  
1 1 1 12  5  1  o 35.28409 0.5447834 12.44979       0.3844321 12.58533       0.5448259 12.31540       0.5425197 0.3824921      1.089567  
1 1 1 12  5  2  o 294.3904 3.062947  867.4119       18.03389  869.6382       25.56828  865.2079       25.43974  0.7511597      6.125894  
1 1 1 12  5  3  o 232.6856 2.956422  545.6984       13.14106  555.0638       16.39721  528.8833       21.97129  5.682816       5.912844  
1 1 1 12  5  4  o 266.4329 3.923678  710.6063       20.89729  698.7405       29.00560  723.4125       30.13309  -4.613495      7.847356  
1 1 1 12  5  5  o 314.5712 4.628653  991.7490       29.11528  1002.369       41.66254  981.6121       40.70462  3.281372       9.257305  
1 1 1 12  5  6  o 89.53854 1.380515  79.98101       2.467036  77.14576       3.360859  83.29370       3.632822  -3.431488      2.761031  
1 1 1 12  5  7  o 233.1471 3.029128  526.8505       12.70794  584.0500       24.52160  505.8479       14.85895  16.63570       6.058256  
1 1 1 12  5  8  o 251.4935 2.622093  633.1075       13.18875  632.1129       18.62273  634.1084       18.68081  -0.3959503     5.244187  
1 1 1 12  5  9  o 162.3657 1.714090  260.2889       5.504328  286.2714       8.583597  242.1423       7.173419  13.57631       3.428180  
1 1 1 12  5  10 o 96.58043 1.057522  93.06937       2.038797  89.87074       2.781415  96.78374       2.997258  -3.577538      2.115045  
1 1 1 12  5  11 o 209.8396 2.196448  438.5144       9.178482  463.5679       13.76372  418.4506       12.31709  10.72964       4.392895  
1 1 1 12  5  12 o 201.8390 2.114630  406.7066       8.517401  422.9806       12.55523  392.8314       11.59307  7.453766       4.229260  
1 1 1 12  5  13 o 144.6790 1.538586  209.3818       4.451150  207.0487       6.221260  211.8288       6.371169  -1.650101      3.077173  
1 1 1 12  5  14 o 192.4865 2.020098  370.8048       7.775971  367.8152       10.90040  373.9027       11.09598  -1.578110      4.040196  
1 1 1 12  5  15 o 110.8313 1.480022  122.4707       3.070013  124.0959       5.413066  121.7000       3.727484  1.061760       2.960043  
1 1 1 12  5  16 o 198.1929 2.948076  393.5493       11.68458  390.4992       16.38558  396.7050       16.66698  -1.558807      5.896152  
1 1 1 12  5  17 o 63.00883 1.107094  39.68764       1.394666  38.67692       1.942283  40.76347       2.003870  -1.655151      2.214189  
1 1 1 12  5  18 o 92.86555 1.282702  84.16376       2.171749  81.30481       2.565219  91.39835       4.080639  -5.416687      2.565405  
1 1 1 12  5  19 o 163.2473 1.727227  266.7197       5.639260  266.1922       7.957355  267.2519       7.993000  -0.3239746     3.454453  
1 1 1 12  5  20 o 273.8298 2.858456  751.4612       15.65057  741.8640       21.83733  761.5969       22.44154  -3.584473      5.716912  
1 1 1 12  5  21 o 202.7461 2.127689  411.6405       8.627159  414.0372       12.27610  409.3019       12.12656  1.164108       4.255377  
1 1 1 12  5  22 f 77.48755 0.8938822 59.86492       1.381939  57.41258       1.876904  62.76842       2.042264  -3.454033      1.787764  
1 1 1 12  5  23 o 119.3942 1.290593  142.1903       3.073710  136.6821       4.169405  148.7475       4.549140  -5.045357      2.581187  
1 1 1 12  5  24 f 156.2053 1.660014  244.3045       5.185904  243.2426       7.300283  245.3863       7.368140  -0.6843567     3.320028  
1 1 1 12  5  25 o 259.4124 2.714475  675.0392       14.07197  690.7103       20.39721  660.8062       19.43890  5.713226       5.428950  
1 1 1 12  5  26 o 100.7318 1.110574  101.4194       2.235202  98.78124       3.079654  104.3561       3.249268  -2.762871      2.221147  
1 1 1 12  5  27 o 102.0010 1.123650  103.8018       2.286335  108.6477       3.383075  99.72789       3.101922  4.364059       2.247301  
1 1 1 12  5  28 o 19.26130 0.6940500 3.650486       0.2618548 2.724717       0.3485160 4.850552       0.3968021 -5.517368      1.388100  
1 1 1 12  5  29 o 56.61799 0.7237567 31.93212       0.8173800 30.21595       1.107682  33.98381       1.211133  -3.324879      1.447513  
1 1 1 12  5  30 o 89.10222 1.004055  79.46416       1.788958  78.49515       2.501730  80.47819       2.559187  -1.110458      2.008111  
1 1 1 12  5  31 o 62.75303 0.7758195 39.40811       0.9736769 39.18460       1.371179  39.63544       1.382870  -0.3588066     1.551639  
1 1 1 12  5  32 o 112.7947 1.232864  127.3402       2.778539  124.2123       3.829786  130.8164       4.037319  -2.915016      2.465727  
1 1 1 12  5  33 o 6.339846 1.403156  0.3741981      0.2177293 0.6141210      0.2963414 0.9275376E-01  0.3209614 2.671925       2.806311  
1 1 1 12  5  34 f 77.02271 0.9008727 59.36005       1.387008  58.18019       1.923767  60.63731       2.001599  -1.591072      1.801745  
1 1 1 12  5  35 o 13.26641 0.9917257 1.800980       0.2550106 2.302682       0.3599581 1.295461       0.3613248 3.796220       1.983451  
1 1 1 12  5  36 f 65.36595 0.8760704 42.86166       1.134095  43.30454       1.506557  42.28252       1.722815  0.7950058      1.752141  
1 1 1 12  5  37 o 14.45185 1.207430  2.052364       0.3421560 1.550704       0.4525610 2.721719       0.5227579 -4.044745      2.414860  
1 1 1 12  5  38 o 56.13834 0.9330190 31.46824       1.027925  32.17168       1.626349  31.00030       1.326471  1.018848       1.866038  
1 1 1 12  5  39 o 49.16813 0.7775000 24.37712       0.7591887 21.51687       1.089650  27.07538       1.058344  -5.654995      1.555000  
1 1 1 12  5  40 o 25.37621 1.057704  6.445508       0.5331426 6.592438       0.8063346 6.331380       0.7106522 0.5036049      2.115408  
1 1 1 12  5  41 o 32.27390 0.6781653 10.41005       0.4372818 9.895193       0.6025867 10.98278       0.6355489 -1.682312      1.356331  
1 1 1 12  5  42 o 27.15979 0.7034225 7.389978       0.3820843 7.455319       0.5402585 7.324594       0.5404390 0.2406750      1.406845  
1 1 1 12  5  43 o 40.29871 0.6872125 16.17173       0.5521853 17.87229       0.8170086 14.74172       0.7492054 3.877865       1.374425  
1 1 1 12  5  44 f 26.60279 1.105390  7.107647       0.5829583 7.149723       0.8861848 7.075549       0.7740090 0.1214504      2.210781  
1 1 1 12  5  45 f 38.06360 0.6932356 14.51302       0.5276387 14.88314       0.7542166 14.15824       0.7384217 0.9505463      1.386471  
1 1 1 12  5  46 o 31.72723 0.7062178 9.996297       0.4454118 11.68189       0.6638345 8.616074       0.6007016 4.823780       1.412436  
1 1 1 12  5  47 o 25.70556 0.7528187 6.619186       0.3867763 6.430470       0.5351939 6.825500       0.5595900 -0.7651234     1.505637  
1 1 1 12  5  48 o 24.34514 0.7931305 5.905007       0.3832367 7.027737       0.5662802 4.956256       0.5205590 4.247490       1.586261  
1 1 1 12  5  49 f 31.38200 0.7375883 9.879833       0.4629008 9.757654       0.6557664 10.00118       0.6535208 -0.3883362     1.475177  
1 1 1 12  5  50 o 28.08814 0.7932734 7.929144       0.4447740 7.347233       0.6278568 8.515335       0.6301605 -2.078949      1.586547  
1 1 1 12  5  51 f 7.812694 1.631529  0.5223979      0.3216923 -0.3205544E-01 0.4476208 1.114667       0.4626337 -4.914678      3.263058  
1 1 1 12  5  52 o 47.14339 0.8598289 22.35064       0.7997113 22.29022       1.235863  22.39416       1.048918  -0.1506348     1.719658  
1 1 1 12  5  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  6  0  o 346.4997 5.098075  1202.941       35.31229  1224.700       50.90253  1182.754       49.02842  6.020142       10.19615  
1 1 1 12  6  1  o 407.6870 5.997680  1665.532       48.83786  1715.468       71.30762  1621.414       67.02544  11.44363       11.99536  
1 1 1 12  6  2  o 312.5372 4.604449  977.8356       28.75261  1003.541       41.79330  954.7355       39.61847  7.770538       9.208899  
1 1 1 12  6  3  o 311.9911 4.596161  975.2810       28.66873  989.8740       41.21400  961.6003       39.90509  4.507355       9.192322  
1 1 1 12  6  4  o 375.9265 3.924341  1412.688       29.44863  1463.707       43.27699  1368.693       40.18769  12.58627       7.848682  
1 1 1 12  6  5  o 175.6270 1.848651  307.7057       6.478024  296.6587       8.804900  320.7419       9.564826  -6.850037      3.697303  
1 1 1 12  6  6  f 332.9868 4.255347  1107.633       26.56285  1100.404       32.30157  1122.731       46.68359  -3.062256      8.510695  
1 1 1 12  6  7  o 126.0403 1.893698  158.7872       4.769650  155.3361       6.585943  162.5939       6.916821  -2.875931      3.787396  
1 1 1 12  6  8  f 244.7681 3.611691  594.9820       17.54447  641.9640       26.87629  560.0953       23.15973  16.64995       7.223383  
1 1 1 12  6  9  o 125.0919 1.882044  156.4623       4.705746  159.6134       6.797340  153.5621       6.521110  2.415688       3.764088  
1 1 1 12  6  10 o 123.9096 1.587581  155.8495       3.872951  136.9749       5.783866  171.1916       5.214619  -13.81300      3.175161  
1 1 1 12  6  11 o 93.84393 1.033072  87.98103       1.937195  90.44923       2.812939  85.75440       2.671727  2.500343       2.066144  
1 1 1 12  6  12 o 73.90655 1.042529  55.46315       1.477532  51.60478       2.421542  57.75159       1.864918  -4.163025      2.085058  
1 1 1 12  6  13 o 169.5788 2.536369  287.7981       8.597568  282.5257       11.92400  293.5074       12.40804  -3.228073      5.072738  
1 1 1 12  6  14 o 166.7651 2.496595  278.4844       8.326795  279.1168       11.81078  277.8594       11.74126  0.3756409      4.993191  
1 1 1 12  6  15 f 216.0394 2.767927  468.9905       11.32918  472.1049       13.96808  463.0028       19.36811  2.225098       5.535853  
1 1 1 12  6  16 o 74.98170 0.8617120 56.21357       1.291950  57.09121       1.851670  55.38102       1.803471  1.140038       1.723424  
1 1 1 12  6  17 o 96.26584 1.062138  92.07426       2.034153  87.01337       2.713862  98.56301       3.072941  -5.995338      2.124276  
1 1 1 12  6  18 o 168.5885 1.779434  284.4005       5.998653  281.2369       8.383741  287.7190       8.586651  -1.918961      3.558869  
1 1 1 12  6  19 o 61.79393 0.7523601 38.17843       0.9296058 37.62579       1.297601  38.76111       1.332412  -0.9183617     1.504720  
1 1 1 12  6  20 o 72.40446 0.8484108 52.36040       1.227328  50.84364       1.690026  54.05299       1.785296  -2.215363      1.696822  
1 1 1 12  6  21 o 109.1880 1.190692  119.1276       2.597572  116.1112       3.578215  122.4883       3.776875  -2.917374      2.381384  
1 1 1 12  6  22 o 197.9305 2.080070  391.6936       8.220772  380.1387       11.24836  404.9416       12.04426  -6.242142      4.160141  
1 1 1 12  6  23 o 55.76201 0.7170499 31.10017       0.7996693 31.31889       1.134599  30.88429       1.127243  0.3896065      1.434100  
1 1 1 12  6  24 f 76.81764 0.8900106 58.43303       1.357480  63.91370       2.076986  54.34600       1.793578  6.223076       1.780021  
1 1 1 12  6  25 o 56.07523 0.7199153 31.23391       0.8036515 29.28209       1.075263  33.70404       1.209636  -3.940792      1.439831  
1 1 1 12  6  26 o 92.09418 1.029357  83.84310       1.878235  92.23615       2.905819  77.82021       2.461567  7.815659       2.058713  
1 1 1 12  6  27 o 47.71932 0.6595842 22.61747       0.6270189 20.97277       0.8423846 24.66078       0.9389280 -3.862434      1.319168  
1 1 1 12  6  28 o 89.61781 1.007027  80.30155       1.803406  82.42933       2.616520  78.37601       2.489055  2.257187       2.014054  
1 1 1 12  6  29 o 31.14380 0.6066776 9.555256       0.3749345 8.252427       0.4973157 11.27096       0.5707025 -4.844519      1.213355  
1 1 1 12  6  30 f 95.66135 1.065889  91.59969       2.038596  93.07870       2.929328  90.21066       2.838823  1.494850       2.131778  
1 1 1 12  6  31 o 25.45749 0.6316506 6.473261       0.3212636 6.080367       0.4449706 6.901062       0.4643171 -1.611326      1.263301  
1 1 1 12  6  32 o 11.58579 1.008665  1.365108       0.2301222 1.544540       0.3143271 1.157844       0.3378258 1.670031       2.017331  
1 1 1 12  6  33 o 91.88091 1.034555  84.55978       1.901109  84.69772       2.693286  84.42280       2.683888  0.1490784      2.069110  
1 1 1 12  6  34 f 27.35359 0.6411523 7.488414       0.3502181 8.043624       0.4993875 6.951089       0.4912785 1.996748       1.282305  
1 1 1 12  6  35 o 44.58741 0.6635461 19.81467       0.5904450 21.26811       0.8698721 18.57291       0.8040388 3.019318       1.327092  
1 1 1 12  6  36 o 6.123181 1.478488  0.2980476      0.2284622 0.1016197      0.3071931 0.5411566      0.3417515 -2.352927      2.956975  
1 1 1 12  6  37 o 61.19670 0.9333395 37.78008       1.099388  36.57740       1.806157  38.48793       1.385651  -1.593117      1.866679  
1 1 1 12  6  38 o 13.23979 2.552317  1.826056       0.6517249 1.826056       0.6517249 ?              ?         ?              ?         
1 1 1 12  6  39 o 38.17826 1.214559  14.60739       0.9273952 14.60739       0.9273952 ?              ?         ?              ?         
1 1 1 12  6  40 o 20.73616 0.8542331 4.384560       0.3464755 3.885750       0.5306651 4.755195       0.4574313 -2.103224      1.708466  
1 1 1 12  6  41 o 26.43874 0.6898963 6.997950       0.3647024 6.847852       0.5086753 7.156719       0.5231641 -0.5829105     1.379793  
1 1 1 12  6  42 o 37.97141 0.6735877 14.35341       0.5099520 15.83045       0.7557358 13.11868       0.6909704 3.565033       1.347175  
1 1 1 12  6  43 o 45.01637 0.7051441 20.26774       0.6342632 19.44711       0.8743334 21.17927       0.9214906 -1.919346      1.410288  
1 1 1 12  6  44 o 29.04902 0.7284665 8.423059       0.4213729 7.376760       0.5778987 9.610797       0.6157205 -3.841270      1.456933  
1 1 1 12  6  45 o 17.87481 0.9119786 3.224234       0.3183646 4.163706       0.4619711 2.374509       0.4393513 5.001578       1.823957  
1 1 1 12  6  46 o 45.17505 0.7193341 20.45795       0.6498630 20.83776       0.9241918 20.08648       0.9139834 0.8302307      1.438668  
1 1 1 12  6  47 o 44.77730 0.7211089 20.01248       0.6443231 21.62383       0.9495759 18.63756       0.8771484 3.325211       1.442218  
1 1 1 12  6  48 o 14.66508 1.112049  2.162228       0.3256366 2.112110       0.4459417 2.219481       0.4766277 -0.3593569     2.224097  
1 1 1 12  6  49 o 26.62352 0.7712434 7.083405       0.4096958 6.479258       0.5603756 7.777163       0.6004979 -2.430950      1.542487  
1 1 1 12  6  50 o 34.66668 0.7445693 12.04269       0.5158358 11.63888       0.7125889 12.48724       0.7476792 -1.217838      1.489139  
1 1 1 12  6  51 o 34.10156 1.011774  10.94639       0.6186287 13.45448       1.225418  10.08857       0.7166538 4.813736       2.023547  
1 1 1 12  6  52 o 35.22731 0.9253380 12.38724       0.6132905 12.20273       0.7470057 12.76879       1.074195  -0.7295341     1.850676  
1 1 1 12  6  53 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  7  0  f 50.60319 0.9628675 24.82722       0.9571580 29.94201       1.541134  21.61536       1.221251  8.226177       1.925735  
1 1 1 12  7  1  o 31.24704 0.8549064 9.715217       0.5327956 10.73840       0.7839821 8.837074       0.7262939 3.042206       1.709813  
1 1 1 12  7  2  o 375.9948 5.535499  1418.404       41.61151  1398.657       57.93110  1439.451       59.80894  -5.380249      11.07100  
1 1 1 12  7  3  o 118.8702 1.819735  140.9325       4.315822  147.2799       6.375569  135.5637       5.863522  4.923920       3.639470  
1 1 1 12  7  4  o 174.2888 2.602330  303.9967       9.069932  301.3310       12.70341  306.7685       12.95390  -1.556808      5.204661  
1 1 1 12  7  5  o 269.1359 3.975387  724.0470       21.34946  753.2006       31.49117  699.2506       29.04264  9.973724       7.950774  
1 1 1 12  7  6  o 181.4093 2.707478  329.1689       9.815787  336.4996       14.21621  322.4898       13.56960  3.852066       5.414955  
1 1 1 12  7  7  o 321.5213 3.348368  1033.207       21.48793  1071.918       31.61176  999.9581       29.29712  11.14645       6.696735  
1 1 1 12  7  8  o 249.5727 2.604513  623.3576       12.99592  632.4823       18.67120  614.7826       18.10010  3.536850       5.209026  
1 1 1 12  7  9  o 193.4189 2.871159  374.4562       11.09966  381.1017       16.03822  368.3472       15.37722  3.284332       5.742318  
1 1 1 12  7  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  7  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  7  12 o 56.45931 1.337075  31.88301       1.509806  31.88301       1.509806  ?              ?         ?              ?         
1 1 1 12  7  13 f 170.1808 2.186859  290.9670       7.068835  286.5556       12.01436  293.3027       8.742118  -2.037247      4.373717  
1 1 1 12  7  14 o 115.7663 1.249882  133.6715       2.886840  139.4733       4.264910  128.7655       3.921848  4.621277       2.499765  
1 1 1 12  7  15 o 205.3477 2.152872  422.1075       8.840870  418.8685       12.39886  425.4576       12.60956  -1.600464      4.305744  
1 1 1 12  7  16 f 55.20029 0.6990334 29.57347       0.7571202 26.10078       0.9632481 35.18701       1.224683  -8.228569      1.398067  
1 1 1 12  7  17 o 81.21130 0.9216639 65.96397       1.496929  66.39240       2.128841  65.54497       2.105308  0.5215378      1.843328  
1 1 1 12  7  18 o 57.49199 0.7233763 32.82644       0.8281373 30.68113       1.109576  35.52432       1.244294  -4.211037      1.446753  
1 1 1 12  7  19 o 175.8283 2.632480  309.7816       9.256201  307.0925       12.97127  312.5716       13.21255  -1.551071      5.264959  
1 1 1 12  7  20 o 50.43732 0.6771257 25.29812       0.6807787 23.71136       0.9181224 27.23599       1.014628  -3.493305      1.354251  
1 1 1 12  7  21 f 162.7843 1.723641  264.8766       5.604366  257.7103       7.694600  272.9737       8.179113  -4.676987      3.447282  
1 1 1 12  7  22 f 62.96993 0.7778373 39.52494       0.9773633 41.64856       1.443060  37.72527       1.328444  3.113819       1.555675  
1 1 1 12  7  23 o 119.1824 1.290996  142.0720       3.075759  144.7214       4.434272  139.6154       4.269940  2.138542       2.581992  
1 1 1 12  7  24 o 94.19555 1.048865  88.78096       1.975913  88.45292       2.782011  89.11490       2.806880  -0.3508606     2.097730  
1 1 1 12  7  25 o 59.81930 0.7486327 35.17722       0.8856762 31.86735       1.152356  39.95427       1.384399  -6.755440      1.497265  
1 1 1 12  7  26 f 80.26349 0.9214994 64.37066       1.477651  62.57539       2.033221  66.38029       2.151196  -2.367348      1.842999  
1 1 1 12  7  27 o 125.9370 1.358046  158.8389       3.420111  160.3249       4.884641  157.4098       4.790274  1.153282       2.716092  
1 1 1 12  7  28 o 108.5846 1.188189  118.0408       2.579953  116.6836       3.608987  119.4593       3.689556  -1.274849      2.376379  
1 1 1 12  7  29 o 105.5031 1.159476  111.4694       2.446396  110.6100       3.435157  112.3538       3.484832  -0.8240662     2.318953  
1 1 1 12  7  30 o 73.49970 0.8664430 53.75810       1.268466  50.77569       1.702870  57.47585       1.901242  -4.550186      1.732886  
1 1 1 12  7  31 o 99.47618 1.104305  99.10880       2.196852  98.27692       3.082365  99.96761       3.131861  -0.8471527     2.208611  
1 1 1 12  7  32 o 9.717735 1.231659  0.9737224      0.2344452 0.2710754      0.3131048 1.870416       0.3537066 -7.899981      2.463318  
1 1 1 12  7  33 o 82.19362 0.9460727 67.63332       1.554876  68.59849       2.227662  66.71637       2.171275  1.141922       1.892145  
1 1 1 12  7  34 o 73.00768 0.8682311 53.18908       1.264739  50.81123       1.717961  56.00269       1.868762  -3.546875      1.736462  
1 1 1 12  7  35 f 43.33735 0.6629678 18.63613       0.5720509 17.04542       0.7665451 20.63556       0.8593979 -4.137768      1.325936  
1 1 1 12  7  36 o 38.79757 1.864197  0.000000       0.000000  ?              ?         15.11017       1.446526  ?              ?         
1 1 1 12  7  37 o 31.87502 0.8660429 9.864449       0.5326670 9.069851       0.6597759 11.35191       0.9027044 -3.561596      1.732086  
1 1 1 12  7  38 o 45.98276 0.6852008 21.14227       0.6296675 20.41715       0.8700083 21.93990       0.9124776 -1.652927      1.370402  
1 1 1 12  7  39 o 13.83920 0.9532809 1.922462       0.2634683 1.965751       0.3654460 1.875610       0.3801924 0.3271561      1.906562  
1 1 1 12  7  40 o 10.66791 1.564713  1.189287       0.3143566 1.195568       0.3966678 1.178682       0.5154396 0.1458473      3.129426  
1 1 1 12  7  41 o 41.43815 0.9137033 17.20304       0.7555875 16.94695       1.031553  17.49949       1.109864  -0.6577301     1.827407  
1 1 1 12  7  42 o 43.52921 0.6977012 18.97102       0.6071874 18.53488       0.8449019 19.43683       0.8731817 -1.033367      1.395402  
1 1 1 12  7  43 o 12.02832 1.201356  1.463264       0.2873584 1.571109       0.3962501 1.343633       0.4173422 0.9491634      2.402712  
1 1 1 12  7  44 o 80.24673 0.9560909 64.55944       1.533228  62.66684       2.116989  66.64738       2.223558  -2.465111      1.912182  
1 1 1 12  7  45 o 44.36375 0.7122295 19.71710       0.6317449 20.23098       0.9072298 19.23335       0.8802265 1.121143       1.424459  
1 1 1 12  7  46 o 30.43979 0.7322782 9.281360       0.4432741 10.68256       0.6407750 7.995399       0.6138595 4.410442       1.464556  
1 1 1 12  7  47 o 18.70011 0.9344438 3.517419       0.3481234 3.567450       0.4738355 3.458740       0.5131533 0.2974434      1.868888  
1 1 1 12  7  48 o 17.11115 0.9770885 2.939863       0.3336139 2.889995       0.4549381 2.997877       0.4906903 -0.3082714     1.954177  
1 1 1 12  7  49 o 26.34406 0.7940404 6.974165       0.4177104 7.099811       0.5779483 6.836755       0.6044026 0.5039463      1.588081  
1 1 1 12  7  50 o 60.28978 1.222089  36.31518       1.461056  39.51126       2.248895  33.98094       1.921909  4.496765       2.444178  
1 1 1 12  7  51 o 50.76030 0.7793657 25.87583       0.7911993 26.06088       1.118571  25.69054       1.119279  0.3649368      1.558731  
1 1 1 12  7  52 o 39.75953 0.8474787 15.87268       0.6614465 15.81416       0.8563744 15.95922       1.041384  -0.1443100     1.694957  
1 1 1 12  8  0  o 122.1228 1.866245  149.1713       4.557419  151.0273       6.519631  147.3977       6.373192  1.484810       3.732489  
1 1 1 12  8  1  o 247.5070 3.659729  611.0428       18.04915  643.2996       26.94714  584.7966       24.30721  11.77261       7.319458  
1 1 1 12  8  2  o 162.5612 2.436199  264.4502       7.919901  262.3974       11.11028  266.5710       11.29281  -1.281525      4.872398  
1 1 1 12  8  3  o 283.7432 4.187982  806.8600       23.75877  818.3002       34.11464  796.0851       33.10792  3.893005       8.375963  
1 1 1 12  8  4  o 230.9545 3.419997  534.1841       15.79310  527.5912       22.03376  541.1501       22.64856  -2.924118      6.839995  
1 1 1 12  8  5  o 89.67964 1.427747  80.37097       2.558867  78.51180       3.536748  82.41322       3.706808  -2.173828      2.855494  
1 1 1 12  8  6  o 237.9323 3.523906  566.3698       16.74531  584.3992       24.47343  550.4988       22.96169  7.091690       7.047813  
1 1 1 12  8  7  o 325.7825 4.806814  1065.881       31.31951  1065.657       44.28519  1066.105       44.29978  -0.6835938E-01 9.613628  
1 1 1 12  8  8  o 113.9592 1.759848  129.5742       4.001429  135.1183       5.908984  124.8787       5.438054  4.486778       3.519695  
1 1 1 12  8  9  o 148.9302 1.934071  223.0554       5.465947  225.4296       6.757424  218.5622       9.296248  2.342865       3.868142  
1 1 1 12  8  10 o 199.2833 2.090148  397.5018       8.330045  394.9610       11.69773  400.1159       11.86498  -1.290543      4.180297  
1 1 1 12  8  11 o 170.8035 1.801178  291.9216       6.152427  294.1055       8.769750  289.8051       8.633541  1.256897       3.602356  
1 1 1 12  8  12 o 282.6977 3.581021  810.8149       19.50553  838.5483       24.72701  765.1288       31.73668  13.17792       7.162042  
1 1 1 12  8  13 o 118.0135 1.784166  138.4878       4.189032  131.2834       5.591234  147.7063       6.324712  -6.947449      3.568332  
1 1 1 12  8  14 o 36.06572 0.7327951 12.89190       0.5261799 14.42243       0.7894711 11.66861       0.7058004 3.817238       1.465590  
1 1 1 12  8  15 o 24.01203 0.6797050 5.391406       0.3151972 3.998230       0.3943016 7.857554       0.5246081 -8.035427      1.359410  
1 1 1 12  8  16 o 118.3202 1.559593  139.3076       3.461581  142.3351       6.088709  137.8617       4.207759  1.862587       3.119186  
1 1 1 12  8  17 o 88.21880 0.9895938 76.93227       1.730402  71.44435       2.271149  84.52643       2.671663  -7.410446      1.979188  
1 1 1 12  8  18 o 103.7334 1.136323  107.5624       2.355988  109.9731       3.406016  105.3507       3.262366  2.226234       2.272645  
1 1 1 12  8  19 o 113.8157 1.236635  128.3763       2.793770  139.3214       4.278709  120.2420       3.688613  8.373116       2.473271  
1 1 1 12  8  20 o 121.8053 1.314680  148.2734       3.199486  144.5281       4.407446  152.4458       4.651960  -3.245903      2.629361  
1 1 1 12  8  21 o 98.13882 1.087113  96.28384       2.132445  94.27841       2.953749  98.46692       3.081790  -2.131851      2.174226  
1 1 1 12  8  22 o 190.0545 2.001087  361.2719       7.595473  372.7235       11.10205  351.1956       10.41416  5.640991       4.002174  
1 1 1 12  8  23 o 10.64951 1.090725  1.114346       0.2184169 0.7585193      0.2844712 1.625366       0.3409089 -4.192759      2.181451  
1 1 1 12  8  24 o 83.18014 0.9475405 69.02807       1.572995  72.20206       2.317806  66.31802       2.141716  3.533188       1.895081  
1 1 1 12  8  25 o 101.7588 1.123079  103.6175       2.285220  102.4312       3.194117  104.8614       3.270828  -1.191864      2.246158  
1 1 1 12  8  26 o 66.46736 0.8066826 43.80609       1.066062  47.82801       1.618259  40.72242       1.416988  5.340248       1.613365  
1 1 1 12  8  27 o 79.85004 0.9210515 63.73682       1.469698  62.06897       2.028807  65.57857       2.131960  -2.194420      1.842103  
1 1 1 12  8  28 o 83.78468 0.9571152 70.14663       1.601867  67.96580       2.200217  72.60643       2.336703  -2.764488      1.914230  
1 1 1 12  8  29 o 77.66215 0.9008307 60.09024       1.394335  63.67761       2.079717  57.16109       1.879261  4.187439       1.801661  
1 1 1 12  8  30 o 131.9161 1.420978  174.4429       3.748312  172.4669       5.240831  176.5123       5.363109  -1.525177      2.841956  
1 1 1 12  8  31 o 93.02664 1.045272  86.19207       1.936350  91.70979       2.906117  81.78658       2.596748  5.316917       2.090544  
1 1 1 12  8  32 o 31.61409 0.6192533 10.00041       0.3914739 9.999308       0.5485007 10.00156       0.5589013 -0.3211975E-02 1.238507  
1 1 1 12  8  33 o 31.04079 0.6276147 9.466739       0.3859006 8.004797       0.5096664 11.43092       0.5907612 -5.515678      1.255229  
1 1 1 12  8  34 o 37.66720 0.9027518 13.89541       0.6438242 15.17863       1.128271  13.27582       0.7839965 2.504196       1.805504  
1 1 1 12  8  35 o 59.27282 1.584544  0.000000       0.000000  ?              ?         35.22277       1.878408  ?              ?         
1 1 1 12  8  36 o 61.80958 0.7866636 38.16854       0.9710382 36.64025       1.329867  39.91392       1.421187  -2.642242      1.573327  
1 1 1 12  8  37 o 24.52955 0.6914327 5.999118       0.3384155 5.658681       0.4597751 6.401607       0.4999254 -1.511814      1.382865  
1 1 1 12  8  38 f 20.60878 0.7516661 4.276004       0.3082242 4.593704       0.4262249 3.927742       0.4462545 1.617273       1.503332  
1 1 1 12  8  39 o 25.78228 0.6919284 6.632740       0.3558510 6.340703       0.4824713 6.981127       0.5269660 -1.238636      1.383857  
1 1 1 12  8  40 o 53.57049 0.7403060 28.55808       0.7901118 26.60353       1.061898  30.98219       1.182595  -4.076145      1.480612  
1 1 1 12  8  41 o 31.26478 0.7467744 9.668338       0.4557070 9.245174       0.5783897 10.36102       0.7400036 -1.768740      1.493549  
1 1 1 12  8  42 o 37.35468 0.8915802 14.00220       0.6650255 15.02962       0.9464292 13.00018       0.9346575 2.715015       1.783160  
1 1 1 12  8  43 o 44.13711 0.8108136 19.69516       0.6975262 18.78301       1.105454  20.29857       0.8991125 -1.741043      1.621627  
1 1 1 12  8  44 o 11.61661 1.375079  1.534252       0.2893145 2.356389       0.4003894 0.6359839      0.4185173 7.410411       2.750159  
1 1 1 12  8  45 o 54.69610 1.133253  30.00206       1.234794  31.23485       1.843950  28.99981       1.662619  2.007191       2.266507  
1 1 1 12  8  46 f 50.71988 0.7509164 25.79815       0.7616993 26.08297       1.078185  25.51435       1.076229  0.5602913      1.501833  
1 1 1 12  8  47 o 16.30073 1.005991  2.698478       0.3246469 3.007406       0.4476630 2.355769       0.4715044 2.003383       2.011982  
1 1 1 12  8  48 o 15.67103 1.048768  2.473250       0.3284415 2.536871       0.4594441 2.406757       0.4696985 0.4173336      2.097536  
1 1 1 12  8  49 o 22.31442 1.425506  4.922826       0.6256034 5.702136       1.001777  4.424596       0.8009979 2.799042       2.851013  
1 1 1 12  8  50 o 54.10869 0.7849221 29.39381       0.8493944 29.19655       1.195329  29.59501       1.207209  -0.3660545     1.569844  
1 1 1 12  8  51 f 46.26263 0.7606638 21.48499       0.7037079 21.84333       1.005426  21.14088       0.9852669 0.7553329      1.521328  
1 1 1 12  8  52 o 18.60663 2.990678  0.000000       0.000000  ?              ?         3.572045       1.112929  ?              ?         
1 1 1 12  9  0  o 143.3317 2.168555  203.1886       6.158079  222.5732       9.525537  189.2699       8.071617  11.60092       4.337111  
1 1 1 12  9  1  o 88.32247 1.410682  77.93862       2.489647  75.94783       3.433708  80.14529       3.615075  -2.374817      2.821363  
1 1 1 12  9  2  o 140.6592 2.128260  197.0276       5.963076  208.3265       8.926668  187.9228       8.013216  7.241913       4.256519  
1 1 1 12  9  3  o 168.3169 2.519890  283.5986       8.482605  282.5998       11.94787  284.6136       12.04515  -0.5967560     5.039780  
1 1 1 12  9  4  o 155.9406 2.345719  242.5588       7.294587  254.1127       10.82236  232.9395       9.874833  6.775040       4.691438  
1 1 1 12  9  5  o 118.1551 1.816333  139.5503       4.288506  136.4531       5.919866  142.9708       6.221064  -2.754456      3.632667  
1 1 1 12  9  6  o 85.91609 1.383543  73.74150       2.375003  76.05868       3.453678  71.66263       3.271265  2.556541       2.767085  
1 1 1 12  9  7  o 227.5988 3.376501  517.3563       15.32078  542.4951       22.78028  496.5948       20.70219  10.02991       6.753002  
1 1 1 12  9  8  o 269.2196 3.982612  727.3705       21.44318  724.0527       30.17315  730.7562       30.47964  -1.235168      7.965224  
1 1 1 12  9  9  o 254.6472 2.660662  648.6864       13.53601  666.0732       19.69655  633.1260       18.63330  6.446487       5.321325  
1 1 1 12  9  10 o 162.7126 1.718959  264.4527       5.585552  273.1913       8.171601  256.7896       7.652274  5.033127       3.437918  
1 1 1 12  9  11 o 66.14504 0.7836151 43.15659       1.026960  39.61599       1.345072  48.10519       1.590188  -6.415592      1.567230  
1 1 1 12  9  12 o 398.4940 4.149539  1594.391       33.07053  1588.313       46.57536  1600.570       46.96466  -1.524445      8.299078  
1 1 1 12  9  13 o 112.7689 1.226832  126.9328       2.761994  131.7367       4.054955  122.7751       3.772429  3.970360       2.453664  
1 1 1 12  9  14 o 219.4538 2.298142  481.5832       10.07431  469.4015       13.84336  495.2979       14.68864  -5.882294      4.596284  
1 1 1 12  9  15 o 104.0593 1.373818  109.3258       2.750355  112.0960       3.470326  104.6469       4.510061  3.593002       2.747637  
1 1 1 12  9  16 o 77.32041 1.222498  59.80666       1.890365  59.45045       2.655879  60.17242       2.691232  -0.4664154     2.444996  
1 1 1 12  9  17 o 146.4804 2.191665  214.5963       6.413437  209.1448       8.821754  220.7077       9.340388  -3.934341      4.383329  
1 1 1 12  9  18 o 129.6742 1.716892  164.0795       4.062271  178.6353       7.626225  158.3134       4.799910  7.779305       3.433784  
1 1 1 12  9  19 o 86.62687 0.9820191 74.76326       1.696415  78.94021       2.518708  71.29521       2.295046  4.409714       1.964038  
1 1 1 12  9  20 o 146.8374 2.227171  216.0559       6.540253  217.3368       9.310073  214.8079       9.189731  0.8570557      4.454342  
1 1 1 12  9  21 o 165.0288 1.748449  271.8300       5.754635  284.1959       8.529797  261.4999       7.796161  6.855438       3.496897  
1 1 1 12  9  22 o 169.4487 1.793789  287.6127       6.079009  288.6158       8.625768  286.6230       8.568553  0.5860901      3.587577  
1 1 1 12  9  23 o 218.4142 2.294148  477.5179       10.00167  495.2895       14.70764  462.2295       13.64146  7.514160       4.588297  
1 1 1 12  9  24 o 122.6216 1.325403  150.5450       3.250447  150.7780       4.604790  150.3137       4.588903  0.1887970      2.650806  
1 1 1 12  9  25 o 76.69698 0.8921118 58.40435       1.360825  63.10099       2.060775  54.77278       1.812111  5.422768       1.784224  
1 1 1 12  9  26 o 106.2191 1.168241  112.8036       2.478890  116.2502       3.612380  109.7360       3.407909  3.058472       2.336481  
1 1 1 12  9  27 o 97.75989 1.087243  95.67718       2.125659  96.35994       3.025346  95.01147       2.987288  0.6882095      2.174485  
1 1 1 12  9  28 o 31.54659 0.6122354 9.931776       0.3855246 10.85111       0.5594149 9.100204       0.5320426 2.774395       1.224471  
1 1 1 12  9  29 o 122.5802 1.329890  150.5842       3.260052  149.2443       4.572123  151.9698       4.649674  -1.107025      2.659780  
1 1 1 12  9  30 f 117.5992 1.280816  138.3200       3.007152  143.3742       4.412713  133.9376       4.109020  3.992767       2.561632  
1 1 1 12  9  31 o 65.46091 0.8030165 42.89318       1.051310  42.93303       1.490894  42.85377       1.482694  0.6018829E-01  1.606033  
1 1 1 12  9  32 o 111.8510 1.527693  124.2669       3.159477  129.0299       5.729461  122.1856       3.787380  2.891304       3.055386  
1 1 1 12  9  33 o 64.73588 1.172808  41.96299       1.516216  42.96698       2.215262  41.07814       2.079664  1.448166       2.345616  
1 1 1 12  9  34 o 104.3003 1.160127  108.8946       2.417090  105.6007       3.320481  112.6072       3.525266  -3.342171      2.320255  
1 1 1 12  9  35 o 39.78511 0.6526057 15.76873       0.5180479 14.58275       0.7054434 17.15694       0.7632240 -3.232124      1.305211  
1 1 1 12  9  36 o 45.62540 0.6826667 20.77790       0.6219577 22.02467       0.9109663 19.68929       0.8512309 2.555756       1.365333  
1 1 1 12  9  37 o 22.17640 0.7292982 4.940910       0.3223876 5.313557       0.4510329 4.551647       0.4609796 1.718557       1.458596  
1 1 1 12  9  38 o 89.50177 1.025595  80.35409       1.835783  80.70000       2.609462  80.01513       2.583118  0.3797455      2.051189  
1 1 1 12  9  39 o 22.43726 0.7403151 4.969190       0.3295044 4.226558       0.4385401 5.932001       0.4993362 -3.795315      1.480630  
1 1 1 12  9  40 f 33.21420 0.6708520 11.05193       0.4455124 11.33315       0.6293066 10.76938       0.6307954 0.8488121      1.341704  
1 1 1 12  9  41 o 40.71314 0.6904476 16.47083       0.5599160 14.90532       0.7537677 18.39809       0.8363348 -4.281780      1.380895  
1 1 1 12  9  42 o 47.35825 0.7117103 22.47481       0.6740664 22.23544       0.9545538 22.71290       0.9519988 -0.5043564     1.423421  
1 1 1 12  9  43 o 48.34122 0.9170586 22.93101       0.8620964 21.37631       1.082820  25.62259       1.424745  -4.345734      1.834117  
1 1 1 12  9  44 o 17.32386 1.256244  3.235297       0.4038815 4.241003       0.5448358 2.008525       0.6017443 6.454481       2.512488  
1 1 1 12  9  45 o 54.70193 1.062644  30.07286       1.118204  30.15966       1.855919  30.02340       1.401058  0.4014969E-01  2.125289  
1 1 1 12  9  46 o 24.91082 0.7712524 6.237201       0.3813226 7.244252       0.5465210 5.281867       0.5323032 3.936827       1.542505  
1 1 1 12  9  47 f 49.93719 1.051065  25.18638       1.008755  24.74672       1.668924  25.43946       1.266238  -0.7768593     2.102129  
1 1 1 12  9  48 o 56.19437 1.007973  30.41953       1.018820  28.80652       1.188078  34.90183       1.980508  -5.249840      2.015946  
1 1 1 12  9  49 o 33.03374 0.7459396 10.94516       0.4926517 10.76182       0.6858150 11.14065       0.7081512 -0.5696983     1.491879  
1 1 1 12  9  50 o 29.93419 0.7750429 8.972831       0.4626041 10.01045       0.6719762 8.038070       0.6378027 3.288134       1.550086  
1 1 1 12  9  51 o 15.49813 1.170786  2.376298       0.3588060 1.963799       0.4732678 2.933894       0.5502442 -3.107730      2.341572  
1 1 1 12  10 0  f 343.5947 5.070069  1185.883       34.84061  1188.324       49.40428  1183.467       49.14090  0.6986084      10.14014  
1 1 1 12  10 1  o 194.5629 2.898163  377.7437       11.24268  395.9745       16.70383  362.6452       15.20128  8.537140       5.796326  
1 1 1 12  10 2  o 170.1651 2.549960  289.3284       8.663362  280.4508       11.84312  299.5468       12.70603  -5.596222      5.099920  
1 1 1 12  10 3  o 153.9934 2.319249  236.9631       7.132295  244.9349       10.43489  229.9734       9.770984  4.846924       4.638497  
1 1 1 12  10 4  o 61.72813 1.092572  38.10210       1.348542  37.62000       1.883043  38.60969       1.932158  -0.8012543     2.185144  
1 1 1 12  10 5  o 121.6954 1.875629  148.0783       4.562125  151.7932       6.598298  144.6759       6.314681  2.920052       3.751259  
1 1 1 12  10 6  o 49.97737 0.9770954 24.97442       0.9764823 25.45535       1.396793  24.51471       1.365643  0.9408112      1.954191  
1 1 1 12  10 7  o 126.6348 1.939385  160.4577       4.911021  162.7248       7.025490  158.2913       6.867666  1.748047       3.878770  
1 1 1 12  10 8  o 171.1039 2.564861  292.0669       8.748734  306.5848       13.01480  280.0985       11.81692  7.715790       5.129722  
1 1 1 12  10 9  o 32.24872 0.5330830 10.24690       0.3410450 9.205011       0.4489269 11.66886       0.5244539 -3.819756      1.066166  
1 1 1 12  10 10 o 251.7715 2.632418  634.9060       13.25536  634.3313       18.73845  635.4818       18.75337  -0.2281647     5.264836  
1 1 1 12  10 11 o 205.9625 2.160207  424.1373       8.888546  413.6075       12.23004  435.9263       12.94064  -5.404755      4.320414  
1 1 1 12  10 12 o 219.8466 2.302184  483.5333       10.11457  494.7233       14.65664  473.3586       13.97595  4.844788       4.604369  
1 1 1 12  10 13 o 268.0930 2.798719  718.6229       14.97753  695.7879       20.43804  745.1110       22.01230  -9.157410      5.597437  
1 1 1 12  10 14 f 39.62537 0.5995974 15.70444       0.4751432 15.92824       0.6714328 15.47995       0.6724763 0.5656624      1.199195  
1 1 1 12  10 15 o 236.7850 2.476414  561.2256       11.71893  573.6752       16.96666  549.8678       16.20566  5.007126       4.952827  
1 1 1 12  10 16 o 136.4462 1.458004  186.3010       3.978780  186.4586       5.631346  186.1439       5.622354  0.1152039      2.916009  
1 1 1 12  10 17 o 59.01255 0.7429561 34.82885       0.8767787 34.67189       1.229712  34.99115       1.250453  -0.2703209     1.485912  
1 1 1 12  10 18 o 45.89889 0.8444511 20.71761       0.7675920 23.67846       1.191836  18.61900       1.003401  5.509388       1.688902  
1 1 1 12  10 19 o 135.4173 2.035851  183.7079       5.513787  183.7709       7.797668  183.6449       7.797678  0.4650879E-01  4.071703  
1 1 1 12  10 20 o 85.96488 1.346171  73.96040       2.314421  73.75772       3.260988  74.16611       3.285321  -0.2369995     2.692342  
1 1 1 12  10 21 o 79.51533 1.100749  63.40085       1.672179  62.81590       2.811337  63.72109       2.080149  -0.5841827     2.201499  
1 1 1 12  10 22 f 123.5631 1.334614  152.4893       3.291966  158.4415       4.837540  147.3556       4.492654  4.475777       2.669228  
1 1 1 12  10 23 o 50.14426 0.6858403 25.15298       0.6878107 25.22233       0.9711850 25.08318       0.9742447 0.1387978      1.371681  
1 1 1 12  10 24 o 63.11648 0.7802243 39.64833       0.9815463 37.45160       1.323109  42.33690       1.463755  -3.866886      1.560449  
1 1 1 12  10 25 o 55.85236 0.7233508 31.16155       0.8072652 32.32398       1.173035  30.11572       1.112648  1.975433       1.446702  
1 1 1 12  10 26 o 58.25349 0.7432273 33.91019       0.8652850 35.09302       1.253191  32.83252       1.196194  1.938736       1.486455  
1 1 1 12  10 27 o 19.36021 0.6905522 3.722630       0.2663748 3.415756       0.3585816 4.100491       0.3979006 -1.767262      1.381104  
1 1 1 12  10 28 o 97.95061 1.092165  95.83569       2.135157  92.35899       2.909105  99.89563       3.143653  -3.835518      2.184329  
1 1 1 12  10 29 o 23.64880 0.6644830 5.509424       0.3117553 4.733317       0.4135570 6.530995       0.4744704 -3.798803      1.328966  
1 1 1 12  10 30 o 43.02615 0.9097943 18.19930       0.7483382 19.66185       1.281686  17.44282       0.9217725 2.561367       1.819589  
1 1 1 12  10 31 f 43.63156 1.006897  18.65746       0.8675571 21.72925       1.365927  16.58039       1.123203  5.886635       2.013794  
1 1 1 12  10 32 o 18.82512 0.7425006 3.538594       0.2791374 3.390495       0.3822097 3.707877       0.4086334 -0.8417110     1.485001  
1 1 1 12  10 33 o 99.19631 1.110254  98.63780       2.202637  98.22813       3.105784  99.05236       3.124297  -0.4140167     2.220509  
1 1 1 12  10 34 o 67.77969 0.8304272 46.00664       1.125692  45.71774       1.584835  46.30080       1.599198  -0.4292145     1.660854  
1 1 1 12  10 35 o 41.50949 0.6601522 17.20765       0.5473881 16.37866       0.7522759 18.14047       0.7979928 -2.119629      1.320304  
1 1 1 12  10 36 o 39.46283 0.6634018 15.56239       0.5230885 16.47049       0.7579492 14.73653       0.7228183 2.194748       1.326804  
1 1 1 12  10 37 f 87.44151 1.007568  76.68660       1.761986  76.97282       2.505626  76.40659       2.478247  0.3209000      2.015136  
1 1 1 12  10 38 f 45.96835 0.6960140 21.15839       0.6398154 20.86574       0.8963974 21.46233       0.9135169 -0.6475945     1.392028  
1 1 1 12  10 39 o 60.66579 0.7877622 36.82745       0.9548897 38.08873       1.388013  35.69414       1.315721  1.966690       1.575524  
1 1 1 12  10 40 o 14.83904 0.9587722 2.215472       0.2832765 2.281407       0.3863344 2.138801       0.4166025 0.4843388      1.917544  
1 1 1 12  10 41 o 68.17045 0.8496704 46.60243       1.158445  46.46014       1.637922  46.74484       1.638655  -0.2087250     1.699341  
1 1 1 12  10 42 o 72.10202 0.8880602 51.95990       1.277586  49.41548       1.735267  54.97169       1.887930  -3.833206      1.776120  
1 1 1 12  10 43 o 22.62904 0.7876549 5.128142       0.3558467 5.028653       0.4869734 5.242133       0.5212608 -0.4674549     1.575310  
1 1 1 12  10 44 o 61.28894 0.8814236 37.52548       1.063800  36.69853       1.381107  38.73178       1.668076  -1.614517      1.762847  
1 1 1 12  10 45 o 37.77093 0.9244565 14.32964       0.6964644 15.75043       0.9963117 12.97186       0.9739671 3.674526       1.848913  
1 1 1 12  10 46 f 23.14500 1.862538  0.000000       0.000000  ?              ?         5.407634       0.8621687 ?              ?         
1 1 1 12  10 47 o 26.20248 0.7739660 6.880265       0.4053279 6.602285       0.5615547 7.182607       0.5856442 -1.103584      1.547932  
1 1 1 12  10 48 o 28.72320 0.7658992 8.284278       0.4395476 8.737435       0.6232875 7.835955       0.6199543 1.568689       1.531798  
1 1 1 12  10 49 o 23.30776 0.8549458 5.428788       0.3974260 4.959428       0.5405052 5.981210       0.5863844 -2.182905      1.709892  
1 1 1 12  10 50 o 11.39319 1.451336  1.318205       0.3204386 1.045336       0.4271172 1.669541       0.4846534 -2.892941      2.902673  
1 1 1 12  10 51 f 42.08883 1.455607  0.000000       0.000000  ?              ?         17.84687       1.225296  ?              ?         
1 1 1 12  11 0  o 224.4634 3.331008  504.9135       14.95067  510.5946       21.40562  499.5026       20.89068  2.457840       6.662015  
1 1 1 12  11 1  o 56.85704 1.046217  32.18716       1.186234  30.48238       1.604499  34.24230       1.761670  -3.305187      2.092433  
1 1 1 12  11 2  o 64.21597 1.124710  41.23518       1.444067  40.72234       2.013486  41.77836       2.072218  -0.8217125     2.249419  
1 1 1 12  11 3  f 269.9977 3.996505  730.0599       21.54025  707.3778       29.40408  756.3297       31.64416  -8.992920      7.993010  
1 1 1 12  11 4  o 81.30569 1.329271  65.76678       2.152677  62.33600       2.890156  70.04169       3.226177  -4.735123      2.658542  
1 1 1 12  11 5  o 33.55372 0.9431676 10.76494       0.6176291 14.75196       0.9919028 8.240208       0.7893187 9.701971       1.886335  
1 1 1 12  11 6  o 125.0536 1.915648  156.3790       4.787998  159.9463       6.924816  153.1115       6.627471  2.728340       3.831295  
1 1 1 12  11 7  o 236.5112 3.508928  560.0302       16.57571  577.1387       24.20382  544.9190       22.74713  6.771118       7.017856  
1 1 1 12  11 8  o 237.6327 3.525098  566.2600       16.75177  561.6445       23.48517  571.0407       23.90148  -1.964935      7.050195  
1 1 1 12  11 9  o 266.1035 2.786893  707.5145       14.79647  683.0391       20.11109  736.3984       21.84732  -9.983856      5.573786  
1 1 1 12  11 10 o 67.57330 0.7975596 45.12346       1.068559  41.77807       1.403742  49.73303       1.647762  -5.884422      1.595119  
1 1 1 12  11 11 o 145.6956 1.549899  210.9623       4.490639  199.7372       5.981070  225.4659       6.798644  -8.817780      3.099799  
1 1 1 12  11 12 o 152.3266 1.616931  230.7248       4.899991  246.0389       7.399897  218.7667       6.538957  8.938202       3.233863  
1 1 1 12  11 13 f 121.7191 1.313034  148.2291       3.196399  147.8646       4.509197  148.5973       4.531670  -0.3006516     2.626068  
1 1 1 12  11 14 o 249.4671 2.607223  623.5284       13.00619  617.4092       18.19698  629.9194       18.59658  -2.495972      5.214447  
1 1 1 12  11 15 o 223.6404 2.343019  501.0444       10.47986  500.8053       14.80789  501.2843       14.83366  -0.1063843     4.686038  
1 1 1 12  11 16 o 27.76501 0.5902500 7.497779       0.3232217 6.273343       0.4191310 9.294441       0.5077090 -5.439825      1.180500  
1 1 1 12  11 17 o 145.1320 1.547501  210.8266       4.491730  211.8553       6.379305  209.8151       6.325567  0.7017212      3.095002  
1 1 1 12  11 18 o 53.16104 0.6955317 27.96160       0.7344432 25.78142       0.9716825 30.86703       1.121719  -4.781570      1.391063  
1 1 1 12  11 19 o 38.12665 0.6112075 14.53025       0.4654740 14.37320       0.6407608 14.70572       0.6773188 -0.4356995     1.222415  
1 1 1 12  11 20 o 85.98204 1.164913  74.92804       1.945167  78.28110       2.502337  69.80827       3.092078  4.940315       2.329826  
1 1 1 12  11 21 o 90.92946 1.417244  81.93261       2.557059  89.40751       3.925136  76.42132       3.370381  7.123192       2.834488  
1 1 1 12  11 22 o 148.3219 2.225399  220.7375       6.600879  222.5726       9.413651  218.9623       9.258388  1.208420       4.450798  
1 1 1 12  11 23 o 66.04700 0.9742345 41.78668       1.177775  48.28541       2.226524  39.26171       1.387843  6.807495       1.948469  
1 1 1 12  11 24 o 95.01076 1.061524  90.36528       2.017121  90.45380       2.855569  90.27711       2.849718  0.9276581E-01  2.123047  
1 1 1 12  11 25 f 39.78605 0.6371644 15.65879       0.5041636 17.86227       0.7604982 13.93109       0.6734089 4.938457       1.274329  
1 1 1 12  11 26 o 82.40574 0.9469140 67.97750       1.560594  68.23394       2.215133  67.72481       2.198983  0.3082733      1.893828  
1 1 1 12  11 27 o 43.08333 0.6518796 18.34521       0.5579980 16.60192       0.7393533 20.65220       0.8505323 -4.697239      1.303759  
1 1 1 12  11 28 o 21.69861 1.267999  4.746107       0.5446709 5.554616       0.7734215 3.950598       0.7671784 3.695749       2.535998  
1 1 1 12  11 29 f 64.26379 1.190547  41.36467       1.529763  42.31762       2.194772  40.46430       2.133358  1.438103       2.381094  
1 1 1 12  11 30 f 53.66599 0.7276322 28.80188       0.7805954 28.13689       1.083280  29.52010       1.125805  -1.287010      1.455264  
1 1 1 12  11 31 o 64.53929 1.086287  41.73312       1.402044  42.30812       1.998569  41.17593       1.967377  0.8750229      2.172575  
1 1 1 12  11 32 o 84.54971 0.9756801 71.30553       1.644676  67.85932       2.221436  75.48605       2.446692  -4.494766      1.951360  
1 1 1 12  11 33 o 82.13487 0.9546376 67.58600       1.568148  67.12948       2.209124  68.04966       2.226368  -0.5589600     1.909275  
1 1 1 12  11 34 o 71.01312 0.8583712 50.40881       1.217443  48.55657       1.669198  52.51403       1.779545  -2.778564      1.716742  
1 1 1 12  11 35 o 75.69514 0.9021854 57.24926       1.362901  59.90538       2.008693  54.98333       1.855299  3.238609       1.804371  
1 1 1 12  11 36 o 50.00837 0.7140194 25.01477       0.7136900 24.12122       0.9885960 25.98733       1.031384  -1.862644      1.428039  
1 1 1 12  11 37 o 34.26485 0.6554822 11.56574       0.4453617 9.866527       0.5902873 13.81126       0.6785743 -5.750004      1.310964  
1 1 1 12  11 38 o 61.96856 0.7938222 38.47453       0.9836661 38.84885       1.406907  38.11654       1.375841  0.5879631      1.587644  
1 1 1 12  11 39 o 81.85953 0.9658855 67.23086       1.581117  67.63444       2.257772  66.84245       2.214917  0.4784012      1.931771  
1 1 1 12  11 40 o 56.33614 0.7642654 31.80896       0.8610805 31.80009       1.223165  31.81768       1.212409  -0.1672745E-01 1.528531  
1 1 1 12  11 41 o 62.69049 0.8108819 39.37610       1.016268  38.34157       1.412632  40.48593       1.463139  -1.704365      1.621764  
1 1 1 12  11 42 o 29.90845 0.7011548 8.964289       0.4192670 8.982759       0.5856854 8.944874       0.6004566 0.6488991E-01  1.402310  
1 1 1 12  11 43 o 25.73086 0.7367743 6.594082       0.3777553 5.902485       0.5124853 7.416898       0.5589927 -2.936951      1.473549  
1 1 1 12  11 44 o 24.50767 1.161853  5.926099       0.5310604 6.379807       0.9553706 5.723220       0.6388540 1.275351       2.323707  
1 1 1 12  11 45 o 7.199177 1.876756  0.4358551      0.3350274 0.5176561      0.3869534 0.1909441      0.6695508 0.9369802E-01  3.753511  
1 1 1 12  11 46 o 52.13840 0.9731848 27.39919       1.010562  28.20903       1.380122  26.46309       1.483806  1.694408       1.946370  
1 1 1 12  11 47 f 47.60153 0.8939042 22.83675       0.8439977 22.24629       1.269025  23.30508       1.130189  -1.139614      1.787808  
1 1 1 12  11 48 o 21.82223 0.8686934 4.720112       0.3749771 3.839721       0.5018180 5.833194       0.5642506 -4.555502      1.737387  
1 1 1 12  11 49 o 11.00087 1.629749  1.219013       0.3426335 0.9537379      0.4371946 1.641338       0.5516316 -3.018778      3.259499  
1 1 1 12  11 50 o 34.76429 0.9426255 12.21199       0.6525102 13.02796       0.9031289 11.32090       0.9437911 2.464516       1.885251  
1 1 1 12  12 0  f 76.68657 1.275480  58.82734       1.956186  58.51863       2.753571  59.14190       2.779541  -0.4061050     2.550960  
1 1 1 12  12 1  o 106.4525 1.661231  112.0909       3.505225  122.8570       5.410747  104.3050       4.601313  8.703148       3.322462  
1 1 1 12  12 2  o 97.56500 1.545686  95.03231       3.011356  91.74823       4.120825  98.79589       4.411410  -3.608284      3.091372  
1 1 1 12  12 3  o 117.1895 1.808659  136.8945       4.225741  143.9349       6.283448  131.0808       5.709847  5.476273       3.617319  
1 1 1 12  12 4  o 155.3458 2.342753  241.2290       7.269074  248.8624       10.61358  234.4850       9.976064  4.615707       4.685507  
1 1 1 12  12 5  o 67.18763 1.174281  45.02774       1.574577  43.30345       2.143725  47.04783       2.320323  -2.784805      2.348562  
1 1 1 12  12 6  o 161.2352 2.427748  259.8162       7.815823  269.0316       11.45555  251.7906       10.69055  5.330627       4.855497  
1 1 1 12  12 7  o 223.3576 3.319377  500.2375       14.82745  503.2290       21.09399  497.3156       20.84656  1.316437       6.638755  
1 1 1 12  12 8  f 65.57505 1.163714  42.84901       1.522351  45.31207       2.252940  40.77942       2.065156  3.454086       2.327428  
1 1 1 12  12 9  o 106.8142 1.165690  114.0823       2.489303  112.3693       3.463763  115.9121       3.579922  -1.657150      2.331381  
1 1 1 12  12 10 o 197.3542 2.073997  388.7620       8.164866  374.5043       11.07839  405.7151       12.08028  -7.886841      4.147995  
1 1 1 12  12 11 o 127.4475 1.369119  162.1337       3.483104  168.4458       5.120279  156.6970       4.752015  4.604019       2.738238  
1 1 1 12  12 12 f 257.0907 2.686294  662.4142       13.81226  660.7534       19.47809  664.0939       19.58937  -0.6464233     5.372588  
1 1 1 12  12 13 o 139.0640 1.486256  193.0852       4.125855  186.8213       5.630784  200.3472       6.062820  -4.855911      2.972511  
1 1 1 12  12 14 o 30.96298 0.5767414 9.495743       0.3552634 10.93185       0.5310690 8.332529       0.4779547 4.197105       1.153483  
1 1 1 12  12 15 o 159.0255 1.686839  252.8858       5.360202  259.3884       7.780803  247.0123       7.394856  3.882538       3.373678  
1 1 1 12  12 16 o 158.1986 1.678580  250.4331       5.308563  246.3633       7.375406  254.8079       7.646831  -2.662155      3.357160  
1 1 1 12  12 17 o 179.1240 1.890776  320.4828       6.757804  333.8625       9.974213  309.1292       9.188074  6.880020       3.781552  
1 1 1 12  12 18 o 82.49759 0.9429448 67.92876       1.552953  65.60908       2.120101  70.61421       2.281147  -3.030830      1.885890  
1 1 1 12  12 19 o 56.32684 0.7243589 31.57851       0.8137287 33.89321       1.207263  29.65139       1.101560  3.763779       1.448718  
1 1 1 12  12 20 o 121.0130 1.310685  146.3924       3.168456  142.4887       4.355577  150.7800       4.617643  -3.417877      2.621371  
1 1 1 12  12 21 o 98.80103 1.436680  97.84132       2.778437  98.14288       3.582060  97.38589       4.402121  0.4134369      2.873361  
1 1 1 12  12 22 o 68.09894 0.8241403 46.16930       1.119053  49.36724       1.663833  43.52777       1.512174  4.283714       1.648281  
1 1 1 12  12 23 o 90.50583 1.412486  82.06127       2.556592  81.59469       3.590925  82.54089       3.640723  -0.5203781     2.824973  
1 1 1 12  12 24 o 93.26382 1.451511  86.80557       2.698894  91.53526       4.014461  82.90479       3.645750  4.607803       2.903022  
1 1 1 12  12 25 o 79.55840 1.550279  64.05338       2.356649  61.48820       3.927082  65.49707       2.946092  -2.582947      3.100558  
1 1 1 12  12 26 o 61.78683 1.165085  38.21787       1.439263  37.03716       2.007199  39.46741       2.064876  -1.963593      2.330169  
1 1 1 12  12 27 o 108.5603 1.558948  118.6211       3.326873  120.3487       4.340619  116.1611       5.179605  1.991814       3.117896  
1 1 1 12  12 28 o 50.81056 0.7020303 25.67488       0.7107034 24.05458       0.9555057 27.68134       1.063284  -3.564911      1.404061  
1 1 1 12  12 29 o 71.39774 0.8596530 50.89375       1.225409  53.39552       1.799101  48.72865       1.673669  3.262245       1.719306  
1 1 1 12  12 30 o 73.80898 1.108565  54.78580       1.623841  52.93379       2.429712  56.28077       2.182970  -2.284180      2.217131  
1 1 1 12  12 31 o 95.04710 1.073560  90.51284       2.040185  89.23638       2.844292  91.86558       2.928046  -1.376801      2.147121  
1 1 1 12  12 32 o 7.981610 1.395942  0.6639891      0.2216125 0.6430265      0.3044321 0.6876199      0.3232266 -0.2661576     2.791883  
1 1 1 12  12 33 f 52.12960 0.7186024 27.08565       0.7473423 25.49575       1.014157  28.97501       1.105551  -3.331726      1.437205  
1 1 1 12  12 34 o 80.99966 0.9471679 65.74538       1.534121  66.39545       2.194789  65.12434       2.145209  0.7804413      1.894336  
1 1 1 12  12 35 o 58.32441 0.7667750 34.06111       0.8942483 33.35918       1.249498  34.79816       1.280383  -1.231194      1.533550  
1 1 1 12  12 36 o 27.62729 0.6671418 7.639395       0.3685419 7.829891       0.5278124 7.458158       0.5148243 0.6718407      1.334284  
1 1 1 12  12 37 o 18.67051 0.7934308 3.498296       0.2954870 3.803368       0.4188145 3.195926       0.4169553 1.626572       1.586862  
1 1 1 12  12 38 o 7.154393 1.514534  0.5156420      0.2422812 0.6906935      0.3353739 0.3245592      0.3503942 1.937521       3.029068  
1 1 1 12  12 39 f 17.20029 0.8517242 2.965364       0.2926674 2.775090       0.4091696 3.164686       0.4187863 -1.131422      1.703448  
1 1 1 12  12 40 o 74.47242 0.9035733 55.46710       1.342738  58.13950       1.982017  53.20019       1.825466  3.296219       1.807147  
1 1 1 12  12 41 o 26.54616 0.7079204 7.064865       0.3756432 7.181772       0.5253569 6.942571       0.5373246 0.4517822      1.415841  
1 1 1 12  12 42 o 44.56978 0.7967404 20.07043       0.6998075 18.98756       1.069558  20.88103       0.9253795 -2.142933      1.593481  
1 1 1 12  12 43 o 14.56586 1.923677  2.079736       0.5381077 3.074647       0.8687444 1.460405       0.6854274 5.668477       3.847354  
1 1 1 12  12 44 o 58.14047 0.8004214 33.84206       0.9296572 32.42976       1.277744  35.43062       1.355134  -2.569530      1.600843  
1 1 1 12  12 45 f 64.24893 0.8465325 41.35729       1.086353  43.11389       1.586778  39.80757       1.490416  2.556973       1.693065  
1 1 1 12  12 46 f 13.32650 1.184494  1.783607       0.3144788 1.575515       0.4313258 2.019760       0.4594893 -1.659760      2.368989  
1 1 1 12  12 47 o 24.52269 0.8788320 5.951330       0.4253378 5.518750       0.5507852 6.590428       0.6694730 -2.162066      1.757664  
1 1 1 12  12 48 o 55.17559 1.047502  30.66573       1.155725  31.40054       1.637576  29.93652       1.631326  1.325157       2.095004  
1 1 1 12  12 49 o 21.98102 1.072794  4.955838       0.4630141 5.525876       0.6238116 4.256555       0.6909203 2.905128       2.145589  
1 1 1 12  12 50 o 17.16477 2.703977  0.000000       0.000000  ?              ?         3.023245       0.9282626 ?              ?         
1 1 1 12  13 0  o 119.8877 1.292801  143.2134       3.089702  137.1454       4.172009  150.5839       4.597979  -5.600143      2.585602  
1 1 1 12  13 1  o 209.2056 3.114422  438.6563       13.03071  440.5823       18.51294  436.7650       18.34464  0.9079895      6.228844  
1 1 1 12  13 2  o 211.1228 3.143699  446.2734       13.26085  435.8002       18.27135  457.9304       19.27634  -5.213989      6.287397  
1 1 1 12  13 3  o 333.6521 4.935468  1119.746       32.92826  1108.705       46.03474  1131.314       47.11938  -3.340912      9.870936  
1 1 1 12  13 4  o 323.8526 4.790870  1054.581       31.02202  1041.617       43.26560  1068.298       44.50412  -4.066162      9.581740  
1 1 1 12  13 5  o 177.0251 2.653835  313.5333       9.385558  322.3968       13.66328  305.6144       12.91470  4.721954       5.307671  
1 1 1 12  13 6  o 177.2766 2.657717  314.8260       9.422222  312.6129       13.22235  317.1091       13.43015  -1.262970      5.315434  
1 1 1 12  13 7  o 50.62874 1.025590  25.48961       1.034109  24.09709       1.387280  27.23097       1.551335  -3.093338      2.051181  
1 1 1 12  13 8  f 244.3402 2.565244  598.1389       12.53564  596.8124       17.66951  599.4831       17.78722  -0.5434570     5.130488  
1 1 1 12  13 9  o 33.99530 0.6467815 11.70467       0.4332243 13.76522       0.6055281 9.543944       0.6200741 6.208712       1.293563  
1 1 1 12  13 10 o 121.9979 1.317623  148.4211       3.206607  155.5014       4.745409  142.4716       4.350001  5.334435       2.635245  
1 1 1 12  13 11 o 87.82533 0.9851474 77.07580       1.729007  75.25883       2.387693  79.07895       2.507042  -2.173492      1.970295  
1 1 1 12  13 12 o 80.41791 0.9184068 64.67034       1.476757  63.90333       2.061069  65.47952       2.116952  -0.9793777     1.836814  
1 1 1 12  13 13 o 80.95898 0.9246465 65.46918       1.495664  67.61454       2.175385  63.54588       2.059728  2.511383       1.849293  
1 1 1 12  13 14 o 209.9882 2.205072  441.8279       9.260522  443.7341       13.15564  439.9558       13.03786  0.8957977      4.410143  
1 1 1 12  13 15 o 48.26677 0.6623015 23.28542       0.6391237 24.00248       0.9179246 22.61070       0.8904179 1.441467       1.324603  
1 1 1 12  13 16 o 67.62193 0.8135128 45.23977       1.092297  49.87984       1.671683  41.78274       1.442924  5.983902       1.627026  
1 1 1 12  13 17 o 138.4182 1.481778  191.6702       4.099338  187.8407       5.673829  195.8523       5.929284  -2.886658      2.963555  
1 1 1 12  13 18 o 103.0943 1.135938  106.3144       2.341250  108.2470       3.368728  104.5088       3.256194  1.810196       2.271875  
1 1 1 12  13 19 o 58.33293 0.7432979 33.97359       0.8658820 32.89257       1.186045  35.20732       1.267049  -1.982647      1.486596  
1 1 1 12  13 20 o 154.1294 1.641113  237.7236       5.052941  231.5789       6.947156  244.6257       7.362823  -4.213623      3.282227  
1 1 1 12  13 21 o 108.4981 1.714394  118.0137       3.719835  118.9861       5.303768  117.0723       5.218549  0.8773575      3.428789  
1 1 1 12  13 22 o 124.6031 1.349705  155.4453       3.362066  152.8504       4.671995  158.2323       4.841914  -2.151855      2.699411  
1 1 1 12  13 23 o 76.71980 1.123550  58.97969       1.608533  58.81931       2.840607  59.05539       1.951573  -0.1903152     2.247101  
1 1 1 12  13 24 o 86.55775 1.436946  75.11217       2.487568  74.95962       3.512185  75.26575       3.523748  -0.1761093     2.873893  
1 1 1 12  13 25 o 67.12414 1.155364  45.09541       1.551056  45.09541       1.551056  ?              ?         ?              ?         
1 1 1 12  13 26 o 92.64822 1.443913  86.01480       2.673758  87.94296       3.866615  84.24798       3.701328  1.982384       2.887826  
1 1 1 12  13 27 f 58.16749 1.230529  33.86871       1.342511  33.78840       1.635028  34.03489       2.352010  -0.1657524     2.461057  
1 1 1 12  13 28 o 102.1274 1.448416  104.8505       2.917970  103.3696       4.498293  105.9263       3.834096  -1.305054      2.896833  
1 1 1 12  13 29 o 30.21663 0.6381003 9.009183       0.3829152 7.950459       0.5076977 10.40602       0.5831583 -4.060265      1.276201  
1 1 1 12  13 30 o 13.06927 1.097319  1.871074       0.2470183 2.804975       0.3477133 0.9195272      0.3509828 7.339662       2.194639  
1 1 1 12  13 31 o 52.87588 0.7251351 27.98717       0.7668048 27.86180       1.078117  28.11552       1.090846  -0.2392578     1.450270  
1 1 1 12  13 32 o 65.19748 0.8202847 42.44666       1.067633  44.62698       1.569335  40.56815       1.456672  3.105148       1.640569  
1 1 1 12  13 33 o 29.30865 0.6595994 8.592041       0.3860690 9.264983       0.5544086 7.958503       0.5379322 2.227865       1.319199  
1 1 1 12  13 34 o 27.19377 0.6616106 7.387545       0.3594269 6.991368       0.4951172 7.828938       0.5226089 -1.538170      1.323221  
1 1 1 12  13 35 o 42.73737 0.6797506 18.12536       0.5783792 16.41450       0.7757232 20.26710       0.8679242 -4.500671      1.359501  
1 1 1 12  13 36 o 78.57515 0.9341689 61.90874       1.467972  61.25004       2.063380  62.58384       2.088906  -0.8460159     1.868338  
1 1 1 12  13 37 o 51.43938 0.7304665 26.42863       0.7502206 25.12153       1.025198  27.93556       1.100774  -2.728413      1.460933  
1 1 1 12  13 38 o 13.84969 0.9942663 1.949784       0.2704630 2.361002       0.3813880 1.533768       0.3836065 2.986764       1.988533  
1 1 1 12  13 39 o 78.14221 0.9349840 61.08184       1.457724  63.90954       2.153501  58.69040       1.980424  3.317009       1.869968  
1 1 1 12  13 40 f 41.00785 0.6987531 16.82405       0.5724564 17.39247       0.8337067 16.31699       0.7874254 1.306580       1.397506  
1 1 1 12  13 41 o 27.68991 1.302900  7.825142       0.6987015 5.505219       0.9709819 10.31633       1.006184  -8.680397      2.605800  
1 1 1 12  13 42 o 20.65066 0.8263125 4.288262       0.3404046 4.604797       0.4788904 3.964991       0.4839593 1.549850       1.652625  
1 1 1 12  13 43 o 81.74686 0.9791821 67.13984       1.600798  66.44839       2.248322  67.85074       2.279745  -0.8522644     1.958364  
1 1 1 12  13 44 o 81.92174 0.9834921 67.34813       1.609302  69.68420       2.349401  65.28314       2.208885  2.659500       1.966984  
1 1 1 12  13 45 o 14.80122 1.094755  2.232161       0.3194494 2.614026       0.4465002 1.831722       0.4572301 2.645044       2.189510  
1 1 1 12  13 46 o 23.24763 1.279371  6.270721       0.4909672 7.229429       0.5828869 3.929531       0.9108769 7.180288       2.558742  
1 1 1 12  13 47 o 55.05783 0.8375577 30.41763       0.9163652 30.74110       1.379409  30.16210       1.225987  0.4965401      1.675115  
1 1 1 12  13 48 o 38.13248 0.9284186 14.52921       0.7049121 13.61242       0.9441020 15.68419       1.059669  -2.689602      1.856837  
1 1 1 12  13 49 f 16.96387 1.223652  2.882485       0.4118064 2.722375       0.5430644 3.099124       0.6316976 -1.083841      2.447304  
1 1 1 12  14 0  o 324.1092 3.378713  1053.478       21.89968  1060.660       31.20748  1046.510       30.73947  2.168396       6.757427  
1 1 1 12  14 1  o 228.9452 2.398501  524.9330       10.98221  522.8943       15.46338  527.0078       15.59990  -0.8953094     4.797003  
1 1 1 12  14 2  o 386.4349 4.032823  1498.840       31.15098  1473.156       43.20036  1526.660       44.96063  -6.855865      8.065646  
1 1 1 12  14 3  o 124.8874 1.349171  155.8504       3.366445  151.9747       4.636632  160.1713       4.895667  -3.278214      2.698341  
1 1 1 12  14 4  o 114.3843 1.244184  130.7005       2.843092  134.8078       4.141371  127.0393       3.910070  3.392921       2.488368  
1 1 1 12  14 5  o 55.07847 0.6995683 30.20669       0.7686470 32.22363       1.137980  28.51444       1.042365  3.366497       1.399137  
1 1 1 12  14 6  f 100.2407 1.112455  100.1175       2.224089  105.7617       3.298113  95.41013       3.011997  5.159966       2.224909  
1 1 1 12  14 7  o 159.8407 1.696691  255.7169       5.423995  256.1861       7.680472  255.2501       7.660940  0.2924500      3.393382  
1 1 1 12  14 8  f 160.9335 1.706699  259.0651       5.490196  254.4461       7.612699  264.0713       7.925353  -2.984406      3.413399  
1 1 1 12  14 9  o 142.1635 1.517653  201.8206       4.307173  195.4704       5.881725  209.1638       6.324919  -4.808151      3.035306  
1 1 1 12  14 10 o 190.7804 2.009932  363.9053       7.658359  354.1497       10.50384  374.9766       11.18979  -5.441208      4.019864  
1 1 1 12  14 11 o 228.7293 2.396713  523.7069       10.95289  511.4478       15.08963  537.3581       15.92343  -5.636887      4.793425  
1 1 1 12  14 12 o 49.92609 0.6700470 24.93115       0.6689981 24.95230       0.9401189 24.90945       0.9522092 0.4303360E-01  1.340094  
1 1 1 12  14 13 o 146.1721 1.557921  213.5564       4.548503  220.2127       6.639977  207.6715       6.243432  4.280029       3.115841  
1 1 1 12  14 14 o 122.0505 1.322219  149.0852       3.227505  148.8329       4.550893  149.3404       4.577990  -0.2072983     2.644439  
1 1 1 12  14 15 o 26.37245 0.6727801 6.874074       0.3358224 6.707945       0.4105317 7.210080       0.5838435 -0.9498272     1.345560  
1 1 1 12  14 16 o 60.79075 0.7565804 36.96807       0.9198558 36.98729       1.298725  36.94873       1.303031  0.3179169E-01  1.513161  
1 1 1 12  14 17 o 145.6269 1.555278  211.5432       4.514369  202.5666       6.090350  222.4892       6.725337  -6.817230      3.110556  
1 1 1 12  14 18 o 87.16138 0.9867790 75.98608       1.719586  77.48094       2.471843  74.58415       2.393760  1.659721       1.973558  
1 1 1 12  14 19 o 42.70477 0.6338193 18.00656       0.5372071 16.39502       0.7082297 20.19003       0.8243816 -4.441105      1.267639  
1 1 1 12  14 20 o 144.6971 1.679404  209.1315       4.782015  214.2900       7.503883  205.6039       6.205261  2.929703       3.358808  
1 1 1 12  14 21 o 94.48814 1.534073  89.47263       2.898642  88.71621       4.059741  90.25928       4.140036  -0.8122787     3.068146  
1 1 1 12  14 22 o 61.95846 1.163664  38.41268       1.441021  37.55120       1.994407  39.35364       2.084393  -1.450378      2.327328  
1 1 1 12  14 23 f 83.38712 0.9580595 69.61315       1.597772  69.38375       2.252069  69.84566       2.267188  -0.2763214     1.916119  
1 1 1 12  14 24 o 178.5777 1.895441  319.0752       6.745978  305.4556       9.095943  335.7241       10.05676  -8.390015      3.790882  
1 1 1 12  14 25 o 38.94743 0.6430706 15.13855       0.5002060 14.43930       0.6854718 15.93501       0.7315726 -1.918686      1.286141  
1 1 1 12  14 26 o 118.6456 1.295644  140.3781       3.061467  133.4906       4.108606  148.9760       4.590503  -6.492378      2.591289  
1 1 1 12  14 27 o 114.2937 1.596272  131.6388       3.605373  134.4402       4.774499  127.9220       5.499568  2.916550       3.192543  
1 1 1 12  14 28 o 30.24223 0.7586649 9.087897       0.4571790 8.264946       0.6167755 10.09144       0.6810966 -3.016663      1.517330  
1 1 1 12  14 29 o 24.07462 0.7485062 5.773603       0.3581519 4.924619       0.4894819 6.751879       0.5254334 -3.793110      1.497012  
1 1 1 12  14 30 o 49.35422 0.8170221 24.10904       0.7756709 25.41004       1.302963  23.39487       0.9653726 2.021568       1.634044  
1 1 1 12  14 31 o 122.5900 1.456760  150.3594       3.510863  147.5016       4.543866  154.5931       5.530487  -2.774460      2.913519  
1 1 1 12  14 32 o 106.5551 1.188522  113.9432       2.532845  114.1875       3.590202  113.7012       3.573821  0.2264862      2.377045  
1 1 1 12  14 33 o 66.61106 0.8365173 44.43778       1.114058  43.67807       1.551420  45.24658       1.600769  -1.173203      1.673035  
1 1 1 12  14 34 o 50.73575 0.7194560 25.74090       0.7294087 26.75596       1.058829  24.82413       1.006257  1.899815       1.438912  
1 1 1 12  14 35 o 69.23022 0.8558388 47.74722       1.180442  44.82808       1.586591  51.36669       1.766687  -4.704750      1.711678  
1 1 1 12  14 36 o 10.79394 1.219948  1.188625       0.2530459 0.9252264      0.3474026 1.486314       0.3693244 -2.745949      2.439896  
1 1 1 12  14 37 f 39.81625 0.6823795 15.85861       0.5429311 15.00044       0.7531297 16.78717       0.7834061 -2.240948      1.364759  
1 1 1 12  14 38 o 14.19216 1.001943  2.033049       0.2826051 2.263640       0.3961168 1.794009       0.4033081 1.655535       2.003885  
1 1 1 12  14 39 o 46.65150 1.151174  21.90616       1.072851  21.20938       1.537943  22.56665       1.497353  -1.461521      2.302347  
1 1 1 12  14 40 o 39.84313 0.9291777 16.51406       0.6845136 17.60713       0.8394119 14.34435       1.182638  4.142639       1.858355  
1 1 1 12  14 41 o 51.48727 0.7513211 26.55577       0.7732208 27.39944       1.116976  25.77948       1.071443  1.567184       1.502642  
1 1 1 12  14 42 o 45.87354 0.7257377 21.00760       0.6643732 19.62810       0.9045318 22.62364       0.9790129 -3.255440      1.451475  
1 1 1 12  14 43 o 48.60694 0.7434691 23.69215       0.7226869 23.98990       1.030716  23.40422       1.013568  0.6000633      1.486938  
1 1 1 12  14 44 f 22.94553 0.8074711 5.289405       0.3701059 5.409165       0.5145857 5.161063       0.5327017 0.5435581      1.614942  
1 1 1 12  14 45 o 23.53437 0.8242657 5.571576       0.3868924 6.061521       0.5479959 5.084649       0.5463050 2.075106       1.648531  
1 1 1 12  14 46 o 15.30813 1.681208  2.497194       0.4253028 2.571109       0.4922100 2.279400       0.8449020 1.333159       3.362417  
1 1 1 12  14 47 o 43.33872 0.9523234 18.85439       0.8234015 18.28928       1.119123  19.52136       1.215807  -1.398949      1.904647  
1 1 1 12  14 48 o 29.37169 0.9304085 8.676877       0.5457531 8.647809       0.7511909 8.709373       0.7942291 -0.9502220E-01 1.860817  
1 1 1 12  15 0  o 95.01646 1.056057  89.69081       1.996341  96.17446       3.015490  84.63192       2.663639  6.070107       2.112113  
1 1 1 12  15 1  o 132.7478 1.421708  176.2875       3.773871  174.4250       5.276474  178.2379       5.399782  -1.434311      2.843417  
1 1 1 12  15 2  o 35.91453 0.5810246 12.63026       0.4129418 15.06836       0.6409105 10.89974       0.5399564 5.802891       1.162049  
1 1 1 12  15 3  f 114.6189 1.249712  131.3054       2.861983  128.6252       3.945234  134.2825       4.158056  -2.464989      2.499424  
1 1 1 12  15 4  o 234.2330 2.453608  549.6428       11.49335  545.7683       16.12938  553.6395       16.38167  -1.673279      4.907216  
1 1 1 12  15 5  o 38.82177 0.5944378 14.81264       0.4572012 13.19025       0.5987597 17.08137       0.7080566 -5.010769      1.188876  
1 1 1 12  15 6  o 227.7734 2.389882  519.5801       10.88283  512.1888       15.14215  527.4773       15.65180  -3.341583      4.779764  
1 1 1 12  15 7  o 213.0635 2.236555  454.0501       9.517749  441.8481       13.06129  467.8653       13.89788  -6.082092      4.473111  
1 1 1 12  15 8  o 90.51152 1.012692  81.94450       1.833001  81.28161       2.569390  82.63154       2.615742  -0.7450943     2.025384  
1 1 1 12  15 9  o 121.0284 1.307375  146.3847       3.161082  142.6495       4.349277  150.5672       4.602338  -3.266220      2.614750  
1 1 1 12  15 10 o 125.9435 1.357278  158.6718       3.417593  161.4102       4.913069  156.1044       4.757115  2.103119       2.714557  
1 1 1 12  15 11 o 128.6063 1.383764  165.0773       3.550977  159.1497       4.828745  172.0579       5.240120  -5.009277      2.767527  
1 1 1 12  15 12 o 160.4355 1.702674  257.7509       5.463257  258.8683       7.758579  256.6520       7.694248  0.6888275      3.405347  
1 1 1 12  15 13 o 38.65461 0.6924050 15.10399       0.5253921 15.87925       0.6908263 14.04039       0.8091594 2.380142       1.384810  
1 1 1 12  15 14 o 102.0464 1.126643  104.2114       2.299346  104.8630       3.265213  103.5704       3.238484  0.6326675      2.253286  
1 1 1 12  15 15 o 45.10234 0.6479135 20.34562       0.5843896 20.75708       0.8308114 19.94267       0.8221599 0.9027176      1.295827  
1 1 1 12  15 16 o 78.64771 0.9078537 61.64925       1.423836  58.90844       1.926479  64.94881       2.113739  -3.835770      1.815707  
1 1 1 12  15 17 o 77.42622 0.8999115 59.95445       1.393043  61.23135       2.002893  58.75799       1.938790  1.595551       1.799823  
1 1 1 12  15 18 o 36.95437 1.059361  13.62610       0.7799956 15.40121       1.135928  12.04244       1.072926  4.542324       2.118723  
1 1 1 12  15 19 o 130.7778 2.021107  171.5359       5.282206  167.7660       7.299128  175.6812       7.653823  -3.001831      4.042213  
1 1 1 12  15 20 o 55.26971 0.9372754 31.34950       0.9667138 32.87980       1.188298  28.35460       1.662374  4.109898       1.874551  
1 1 1 12  15 21 f 85.49985 1.062600  72.23804       1.769091  69.19122       2.236681  77.32896       2.891204  -4.728973      2.125200  
1 1 1 12  15 22 o 137.0467 1.474722  188.3422       4.042111  188.1357       5.710659  188.5496       5.722175  -0.1502228     2.949444  
1 1 1 12  15 23 o 90.47896 1.024240  81.96627       1.853185  81.13829       2.594745  82.82836       2.647654  -0.9313583     2.048481  
1 1 1 12  15 24 o 31.93400 0.6100387 10.19334       0.3893513 10.73838       0.5596306 9.682031       0.5420422 1.653397       1.220077  
1 1 1 12  15 25 o 42.91218 0.8236349 18.43209       0.7068468 18.22531       0.9942045 18.64346       1.005150  -0.4867249     1.647270  
1 1 1 12  15 26 o 66.18646 0.8167682 43.70085       1.078611  46.02368       1.593764  41.73788       1.465117  3.231560       1.633536  
1 1 1 12  15 27 o 22.16195 0.6529240 4.869771       0.2869765 5.855386       0.4269727 4.057659       0.3875740 4.054182       1.305848  
1 1 1 12  15 28 o 60.29007 0.7731249 36.29772       0.9307484 38.03907       1.364248  34.78144       1.273034  2.696678       1.546250  
1 1 1 12  15 29 o 22.56691 0.6655602 5.059199       0.2977171 4.182406       0.4038606 6.102804       0.4406063 -4.253077      1.331120  
1 1 1 12  15 30 o 68.14435 1.063931  45.01657       1.389861  41.51922       1.707084  51.89334       2.393743  -7.551064      2.127862  
1 1 1 12  15 31 o 77.36774 1.246506  60.08744       1.928591  59.54037       2.704181  60.65375       2.751308  -0.7142258     2.493011  
1 1 1 12  15 32 f 55.39270 0.8735567 31.00056       0.9488760 29.40528       1.475281  32.12614       1.239207  -2.476810      1.747113  
1 1 1 12  15 33 o 31.16278 0.6630611 9.723039       0.4131832 9.981746       0.5873723 9.469624       0.5813332 0.8212643      1.326122  
1 1 1 12  15 34 o 30.10601 0.7878705 9.331502       0.4584839 10.30476       0.5973107 7.935701       0.7153159 3.944963       1.575741  
1 1 1 12  15 35 o 36.39983 0.6655457 13.26719       0.4844585 13.00900       0.6796994 13.53379       0.6906883 -0.7199478     1.331091  
1 1 1 12  15 36 o 52.21144 0.7412611 27.30090       0.7736953 27.82702       1.114629  26.81170       1.074798  0.9683723      1.482522  
1 1 1 12  15 37 o 40.18605 1.027599  16.26282       0.7799427 16.07123       1.341814  16.36058       0.9584926 -0.4135056     2.055198  
1 1 1 12  15 38 o 21.39292 1.148440  4.666979       0.4140666 4.725068       0.4737940 4.479171       0.8519242 0.6352329      2.296880  
1 1 1 12  15 39 o 34.63705 0.6911033 11.99009       0.4779487 11.08280       0.6585098 13.00012       0.6947917 -2.763847      1.382207  
1 1 1 12  15 40 f 25.41323 0.7365471 6.473889       0.3742934 6.305346       0.5250804 6.648002       0.5336860 -0.6730690     1.473094  
1 1 1 12  15 41 f 41.03355 0.7087509 16.85363       0.5811650 15.99023       0.8050251 17.79338       0.8398645 -2.192810      1.417502  
1 1 1 12  15 42 o 56.46020 0.7875332 31.96217       0.8888955 32.62436       1.280349  31.34602       1.235050  1.125408       1.575066  
1 1 1 12  15 43 o 13.20811 1.147239  1.749589       0.3018271 1.541517       0.4132374 1.987524       0.4418986 -1.681836      2.294478  
1 1 1 12  15 44 o 16.04934 0.9975884 2.602268       0.3188829 2.807348       0.4445141 2.384829       0.4577127 1.319215       1.995177  
1 1 1 12  15 45 o 40.97894 0.8493893 16.82114       0.6898468 17.21593       1.053982  16.52526       0.9124363 0.8160820      1.698779  
1 1 1 12  15 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  15 47 o 24.75361 0.9875815 6.166907       0.4860958 6.147683       0.6528574 6.190822       0.7281810 -0.6875610E-01 1.975163  
1 1 1 12  15 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  16 0  o 196.2605 2.065669  385.6650       8.107115  389.3972       11.57891  382.0761       11.35476  1.859695       4.131339  
1 1 1 12  16 1  o 161.9366 1.717662  261.7668       5.550076  252.4713       7.546508  272.7179       8.191031  -6.238129      3.435324  
1 1 1 12  16 2  f 120.6709 1.305418  145.4930       3.146913  141.6059       4.327594  149.8548       4.584309  -3.413811      2.610835  
1 1 1 12  16 3  o 101.5629 1.118759  103.1951       2.272464  103.5788       3.222551  102.8157       3.205020  0.3754120      2.237517  
1 1 1 12  16 4  o 188.9985 1.990976  357.2027       7.516266  367.9407       10.96577  347.6874       10.32257  5.340851       3.981952  
1 1 1 12  16 5  o 98.76006 1.093602  97.41483       2.157357  100.7867       3.148331  94.43010       2.962106  3.215271       2.187204  
1 1 1 12  16 6  o 175.5916 1.856218  308.4520       6.513060  316.2169       9.450336  301.4272       8.988709  4.198441       3.712436  
1 1 1 12  16 7  o 107.5416 1.178727  115.6634       2.534308  117.8459       3.644753  113.6205       3.526286  1.962349       2.357454  
1 1 1 12  16 8  o 171.4344 1.814584  293.4749       6.206309  306.1566       9.171053  282.7603       8.429817  6.801880       3.629168  
1 1 1 12  16 9  o 174.3207 1.843570  304.2025       6.424376  309.6655       9.258461  299.1296       8.921771  3.011414       3.687140  
1 1 1 12  16 10 o 160.1728 1.700865  255.9922       5.431557  245.6733       7.341524  268.4707       8.073274  -7.093262      3.401730  
1 1 1 12  16 11 o 48.20101 0.6621388 22.96651       0.6338440 21.01961       0.8379337 25.57053       0.9690818 -4.718964      1.324278  
1 1 1 12  16 12 o 65.99631 0.8013961 43.38451       1.054909  46.09167       1.563985  41.12484       1.428884  3.760536       1.602792  
1 1 1 12  16 13 o 83.89297 0.9574555 70.30842       1.604732  72.83334       2.336857  68.05524       2.207528  2.844757       1.914911  
1 1 1 12  16 14 o 52.21566 0.6891614 27.27480       0.7196571 27.30968       1.012562  27.23919       1.023017  0.6767654E-01  1.378323  
1 1 1 12  16 15 o 32.04884 1.068674  10.10215       0.6789336 8.673620       0.8963144 12.02513       1.039927  -5.224215      2.137348  
1 1 1 12  16 16 o 79.42267 1.348242  63.17355       2.141396  63.96364       3.055539  62.41092       3.001954  0.9751587      2.696484  
1 1 1 12  16 17 o 51.24202 0.9102962 26.68044       0.8527532 27.29842       1.023456  25.27731       1.542167  1.987698       1.820592  
1 1 1 12  16 18 o 52.60814 0.7020691 27.54684       0.7362020 26.02621       0.9926245 29.40597       1.097560  -3.209499      1.404138  
1 1 1 12  16 19 o 50.80850 0.6960767 25.78539       0.7066584 26.87030       1.027078  24.81016       0.9737820 2.025791       1.392153  
1 1 1 12  16 20 o 113.7143 1.243988  129.3560       2.825562  125.6973       3.879567  133.4893       4.123473  -3.412506      2.487976  
1 1 1 12  16 21 o 41.11497 0.6357005 16.88258       0.5222579 17.77580       0.7573230 16.07261       0.7211710 2.070187       1.271401  
1 1 1 12  16 22 o 117.8760 1.288121  139.0666       3.033127  135.2561       4.168375  143.3546       4.421813  -3.418755      2.576243  
1 1 1 12  16 23 o 14.94902 0.8076164 2.242766       0.2400073 1.943603       0.3369583 2.550840       0.3419395 -2.030814      1.615233  
1 1 1 12  16 24 f 70.27287 0.8519715 48.72523       1.185966  54.57309       1.838737  44.55943       1.551923  7.111206       1.703943  
1 1 1 12  16 25 o 45.23955 0.6711043 20.43583       0.6064864 21.48237       0.8841634 19.50583       0.8334815 2.182430       1.342209  
1 1 1 12  16 26 o 56.75508 0.7463526 31.84395       0.8409464 35.61835       1.288447  29.04282       1.109967  5.783627       1.492705  
1 1 1 12  16 27 o 24.78218 0.6398695 6.054264       0.3143150 5.082468       0.4185067 7.311664       0.4760492 -4.495001      1.279739  
1 1 1 12  16 28 o 48.74286 0.7054015 23.72073       0.6867360 25.19765       1.002089  22.41288       0.9429862 2.853321       1.410803  
1 1 1 12  16 29 o 46.44765 0.6910886 21.24108       0.6361299 18.98925       0.8338695 24.37592       0.9838719 -5.789845      1.382177  
1 1 1 12  16 30 o 28.14233 0.6450493 7.927857       0.3630176 7.884690       0.5087686 7.972629       0.5181283 -0.1556778     1.290099  
1 1 1 12  16 31 o 16.77999 0.7702026 2.796537       0.2552099 3.485498       0.3791552 2.225821       0.3450880 3.750819       1.540405  
1 1 1 12  16 32 o 70.39690 1.035544  49.14512       1.381236  47.97310       1.690758  51.49670       2.394933  -2.425179      2.071088  
1 1 1 12  16 33 o 26.14653 0.7821946 6.674181       0.4033763 8.412735       0.6272055 5.447845       0.5267695 5.660658       1.564389  
1 1 1 12  16 34 o 39.74574 0.8290879 15.81781       0.6586287 16.33847       0.9526027 15.34097       0.9116309 1.250595       1.658176  
1 1 1 12  16 35 o 33.96516 1.187222  11.31776       0.7959577 13.46307       1.254579  9.872499       1.029739  5.249758       2.374444  
1 1 1 12  16 36 o 54.97246 0.9807066 31.13968       1.015925  32.97277       1.264424  27.80095       1.706443  4.762508       1.961413  
1 1 1 12  16 37 o 50.05892 0.7325463 25.06261       0.7324826 26.13405       1.069307  24.11539       1.005416  2.009449       1.465093  
1 1 1 12  16 38 o 30.93443 0.6967314 9.539742       0.4295640 10.72883       0.6313161 8.514595       0.5861822 3.574043       1.393463  
1 1 1 12  16 39 o 52.90013 0.7616059 28.00265       0.8046176 29.17637       1.177152  26.97340       1.102332  2.072289       1.523212  
1 1 1 12  16 40 o 51.31039 0.7539974 26.39296       0.7736079 25.72180       1.083200  27.09170       1.105226  -1.331989      1.507995  
1 1 1 12  16 41 o 48.16499 0.7424430 23.26045       0.7148553 23.43759       1.028610  23.09497       0.9941850 0.3509178      1.484886  
1 1 1 12  16 42 o 35.60371 0.7188330 12.68520       0.5109695 11.67922       0.7061506 13.79082       0.7402983 -2.960545      1.437666  
1 1 1 12  16 43 o 56.22377 0.9182567 31.40797       0.9904578 33.06707       1.673254  30.51308       1.228878  2.182373       1.836513  
1 1 1 12  16 44 o 21.21248 0.9220874 4.528035       0.3907270 4.410052       0.5618338 4.638547       0.5437526 -0.5422668     1.844175  
1 1 1 12  16 45 o 12.76363 1.394088  1.654288       0.3537026 1.690234       0.4777820 1.610700       0.5261276 0.3274460      2.788176  
1 1 1 12  16 46 f 8.124070 3.059098  0.5164049      0.6759291 0.5164049      0.6759291 ?              ?         ?              ?         
1 1 1 12  16 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  17 0  o 243.6798 3.105372  600.5569       14.47133  581.1870       24.11865  611.4527       18.08925  -6.487762      6.210743  
1 1 1 12  17 1  f 110.6729 1.209663  122.5371       2.677057  123.8591       3.829668  121.2739       3.743657  1.166306       2.419325  
1 1 1 12  17 2  o 188.8523 1.992032  356.5528       7.510759  345.7493       10.26439  369.0040       11.01939  -6.133163      3.984064  
1 1 1 12  17 3  f 208.8558 2.197135  436.7919       9.171358  446.6649       13.26982  427.7627       12.69011  4.504761       4.394271  
1 1 1 12  17 4  f 75.52730 0.8806143 57.00139       1.329113  55.60110       1.835113  58.54638       1.927595  -1.948479      1.761229  
1 1 1 12  17 5  o 90.62926 1.018390  81.90804       1.841388  85.88046       2.722008  78.55630       2.500324  4.036880       2.036781  
1 1 1 12  17 6  o 74.71791 0.8700612 55.83151       1.299925  56.71761       1.861222  54.98763       1.816342  1.156960       1.740122  
1 1 1 12  17 7  o 182.1260 1.923565  332.1603       7.002723  338.6194       10.10739  326.1977       9.711176  3.395233       3.847130  
1 1 1 12  17 8  f 62.31982 0.7678075 38.85118       0.9569824 39.09638       1.354878  38.60706       1.351882  0.3925438      1.535615  
1 1 1 12  17 9  o 104.6537 1.151955  108.9684       2.399819  103.3491       3.212018  116.0686       3.610545  -6.066650      2.303910  
1 1 1 12  17 10 o 115.2061 1.254059  132.8348       2.888957  131.4227       4.038760  134.3143       4.134113  -1.252121      2.508118  
1 1 1 12  17 11 o 117.5106 1.278005  137.4203       2.988970  130.3670       3.997118  146.3674       4.501832  -6.791519      2.556009  
1 1 1 12  17 12 o 168.5632 2.554357  285.5977       8.610864  283.8924       12.09672  287.3493       12.26012  -1.013596      5.108713  
1 1 1 12  17 13 o 55.63199 1.122328  30.84237       1.245799  33.18898       1.839405  28.85373       1.693301  3.891262       2.244655  
1 1 1 12  17 14 o 45.15804 0.8861465 20.88498       0.7183348 21.53080       0.8532959 19.31389       1.330905  2.468136       1.772293  
1 1 1 12  17 15 o 23.14410 0.5859441 5.343660       0.2707558 5.119302       0.3698671 5.602702       0.3974301 -1.043774      1.171888  
1 1 1 12  17 16 o 38.90273 0.6160796 14.90652       0.4754221 13.29564       0.6258276 17.10475       0.7310703 -4.893269      1.232159  
1 1 1 12  17 17 o 73.42184 0.8662893 53.89741       1.271157  55.44099       1.841239  52.49170       1.757086  2.005363       1.732579  
1 1 1 12  17 18 o 75.21806 0.8857563 56.58214       1.331699  58.08676       1.924432  55.19961       1.844710  1.916016       1.771513  
1 1 1 12  17 19 f 56.73225 0.7340297 31.94786       0.8285191 29.78216       1.104923  34.72969       1.252267  -4.355362      1.468059  
1 1 1 12  17 20 o 81.68784 1.396370  66.76692       2.278100  69.57043       3.331773  64.30548       3.121899  3.208038       2.792741  
1 1 1 12  17 21 o 74.08591 1.191427  54.37421       1.750461  50.46011       2.301618  59.74431       2.695931  -6.240936      2.382854  
1 1 1 12  17 22 o 84.84175 0.9814076 71.95245       1.662818  69.72911       2.278012  74.48814       2.432770  -2.796303      1.962815  
1 1 1 12  17 23 o 26.32280 0.6117579 6.820805       0.3189490 5.685646       0.4237528 8.304375       0.4844380 -4.972080      1.223516  
1 1 1 12  17 24 o 52.98934 0.7170958 28.10204       0.7597747 27.94153       1.061238  28.27082       1.088239  -0.3094292     1.434192  
1 1 1 12  17 25 o 54.17281 0.7331756 29.00526       0.7885908 32.55419       1.207437  26.36542       1.041371  5.703510       1.466351  
1 1 1 12  17 26 o 35.94627 0.6387213 12.90411       0.4586030 13.83542       0.6650155 12.05958       0.6332734 2.468643       1.277443  
1 1 1 12  17 27 o 31.51370 0.6384405 9.934816       0.4022762 9.682177       0.5609869 10.20224       0.5771670 -0.8242950     1.276881  
1 1 1 12  17 28 o 6.963454 1.323897  0.4740865      0.1973915 0.7464957      0.2979645 0.2610375      0.2635077 2.992057       2.647793  
1 1 1 12  17 29 o 20.98520 0.6884517 4.409386       0.2876631 3.872923       0.4005302 4.980905       0.4134095 -2.639050      1.376903  
1 1 1 12  17 30 o 14.92065 0.8412383 2.240287       0.2454136 1.660263       0.3382001 2.885395       0.3566706 -4.103903      1.682477  
1 1 1 12  17 31 o 35.61707 0.6617885 12.70271       0.4714130 12.61482       0.6650503 12.79146       0.6683192 -0.2477264     1.323577  
1 1 1 12  17 32 o 60.25044 0.7920548 36.36801       0.9542862 35.85174       1.335302  36.90695       1.364294  -0.8729668     1.584110  
1 1 1 12  17 33 o 39.15674 1.211568  15.41359       0.9482387 16.14132       1.349109  14.70308       1.333060  1.834030       2.423136  
1 1 1 12  17 34 o 24.36417 1.023525  5.948021       0.4987467 5.948021       0.4987467 ?              ?         ?              ?         
1 1 1 12  17 35 o 26.51702 0.7934022 6.976390       0.4185696 7.961759       0.6287010 6.191906       0.5609665 3.329672       1.586804  
1 1 1 12  17 36 f 14.40554 1.005092  2.142763       0.2812774 1.653446       0.4136959 2.563436       0.3835817 -3.162786      2.010185  
1 1 1 12  17 37 o 51.89959 0.7462988 26.94876       0.7730849 27.80861       1.136620  26.20854       1.054596  1.531845       1.492598  
1 1 1 12  17 38 o 100.1072 1.142184  100.7467       2.284408  103.2157       3.322242  98.53239       3.146222  2.304016       2.284367  
1 1 1 12  17 39 o 35.00240 0.7021368 12.15126       0.4889063 13.81998       0.7361646 10.83446       0.6539499 4.254543       1.404274  
1 1 1 12  17 40 f 46.08574 0.7612308 21.20466       0.6969408 22.12977       1.057404  20.49409       0.9267210 1.756027       1.522462  
1 1 1 12  17 41 o 48.02153 0.7773446 23.18414       0.7450207 22.19994       1.073782  24.09775       1.034550  -1.982067      1.554689  
1 1 1 12  17 42 o 41.39068 0.8424785 17.06546       0.6890612 18.09512       1.072750  16.34223       0.8990571 2.085423       1.684957  
1 1 1 12  17 43 o 26.10559 0.9111590 6.764404       0.4726355 6.072530       0.6269712 7.675103       0.7193197 -3.050821      1.822318  
1 1 1 12  17 44 o 14.98111 1.220983  2.231264       0.3629303 1.970152       0.4788021 2.583896       0.5564207 -2.026073      2.441966  
1 1 1 12  17 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  17 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  18 0  o 137.0095 2.057438  188.1274       5.637757  187.8695       7.962304  188.3867       7.983724  -0.1879578     4.114876  
1 1 1 12  18 1  o 72.21925 1.156510  52.17507       1.670081  51.32021       2.332217  53.07480       2.392643  -1.213432      2.313019  
1 1 1 12  18 2  o 144.8780 2.172280  210.2200       6.288478  205.2972       8.672129  215.6789       9.132201  -3.562973      4.344561  
1 1 1 12  18 3  o 140.0220 1.812883  198.2167       4.886134  189.7471       8.001779  203.2524       6.170022  -4.891251      3.625766  
1 1 1 12  18 4  o 133.1752 1.431605  176.8275       3.799776  169.1322       5.123212  186.2361       5.664917  -6.404602      2.863211  
1 1 1 12  18 5  o 14.20196 0.6315295 2.018956       0.1792392 1.966026       0.2563507 2.069583       0.2507084 -0.3646698     1.263059  
1 1 1 12  18 6  o 166.3352 1.764745  277.1009       5.868173  272.5956       8.154359  281.9402       8.451304  -2.796585      3.529490  
1 1 1 12  18 7  o 89.66377 1.011110  80.43314       1.812807  79.52174       2.532361  81.39108       2.596226  -1.040810      2.022221  
1 1 1 12  18 8  o 94.80301 1.325924  89.08707       2.318096  92.33535       4.223213  87.68643       2.773201  2.401421       2.651847  
1 1 1 12  18 9  o 80.95223 1.376016  65.37434       2.221039  62.50874       3.002800  68.83583       3.300278  -3.896088      2.752031  
1 1 1 12  18 10 o 64.79477 1.197191  42.01427       1.550705  41.34982       2.153990  42.72919       2.234268  -1.061424      2.394382  
1 1 1 12  18 11 o 136.5647 1.821537  185.7369       4.620086  183.5081       5.564784  190.6813       8.288463  -2.465378      3.643073  
1 1 1 12  18 12 o 66.37102 0.8048889 44.07707       1.068408  44.40136       1.515739  43.75686       1.506220  0.4852676      1.609778  
1 1 1 12  18 13 o 65.12512 0.7958390 42.22024       1.032695  40.05094       1.389368  44.89822       1.543694  -3.717125      1.591678  
1 1 1 12  18 14 o 55.47809 0.7257226 30.79583       0.8052042 30.72820       1.133318  30.86477       1.144221  -0.1227608     1.451445  
1 1 1 12  18 15 o 141.0150 1.515966  198.7121       4.263066  190.7283       5.770918  208.3020       6.324859  -6.194382      3.031932  
1 1 1 12  18 16 o 124.9905 1.357227  156.5899       3.392713  155.9771       4.776579  157.2138       4.819753  -0.4920578     2.714455  
1 1 1 12  18 17 o 91.40865 1.035118  83.03789       1.881277  78.16479       2.502328  89.37296       2.853106  -6.113678      2.070237  
1 1 1 12  18 18 o 16.64087 0.6856560 2.756870       0.2233772 3.604831       0.3308650 2.046647       0.3028031 4.680856       1.371312  
1 1 1 12  18 19 o 35.19442 0.7560053 12.28728       0.5024236 12.72809       0.8750886 12.07051       0.6136420 0.9238510      1.512011  
1 1 1 12  18 20 o 69.67374 0.8456153 48.54298       1.177547  50.08127       1.704092  47.13720       1.629048  2.109276       1.691231  
1 1 1 12  18 21 o 115.1717 1.263236  132.9607       2.909176  131.4945       4.064969  134.5001       4.165257  -1.297485      2.526471  
1 1 1 12  18 22 o 51.43304 0.7066510 26.46787       0.7266298 26.13592       1.011373  26.82202       1.044654  -0.6654549     1.413302  
1 1 1 12  18 23 o 62.13334 0.7863128 38.64323       0.9768578 38.26146       1.362996  39.04645       1.400749  -0.6296120     1.572626  
1 1 1 12  18 24 o 75.24042 0.8956836 56.70260       1.347828  56.83488       1.905456  56.57014       1.906778  0.1760101      1.791367  
1 1 1 12  18 25 o 35.05449 0.6340275 12.28526       0.4442032 12.93078       0.6395212 11.68352       0.6174561 1.777912       1.268055  
1 1 1 12  18 26 o 51.53452 0.7175903 26.51690       0.7385482 28.06709       1.079869  25.15456       1.012330  2.821682       1.435181  
1 1 1 12  18 27 o 44.73853 0.6824769 19.80886       0.6069897 22.31987       0.9212380 17.88244       0.8069056 4.952080       1.364954  
1 1 1 12  18 28 f 61.27474 0.7922453 37.61120       0.9708207 37.38175       1.363141  37.84737       1.382969  -0.3783340     1.584491  
1 1 1 12  18 29 o 84.08704 0.9866673 70.90821       1.659243  70.49722       2.333076  71.32881       2.360206  -0.4916534     1.973335  
1 1 1 12  18 30 o 27.40128 0.6646132 7.516661       0.3639654 7.461238       0.5044444 7.576845       0.5256605 -0.2093525     1.329226  
1 1 1 12  18 31 o 47.65995 1.189391  22.81713       1.133339  22.52876       1.578552  23.12391       1.628167  -0.6171799     2.378782  
1 1 1 12  18 32 o 21.84678 1.330274  5.064915       0.4180145 5.189295       0.4572426 4.431916       1.031505  1.823988       2.660547  
1 1 1 12  18 33 o 74.02101 0.9073817 54.92972       1.342661  53.89725       1.864194  56.04260       1.935429  -1.440346      1.814763  
1 1 1 12  18 34 o 29.08464 0.6802738 8.469857       0.3955009 8.868614       0.5663530 8.090302       0.5525478 1.336670       1.360548  
1 1 1 12  18 35 o 22.26906 0.7332795 4.960017       0.3250033 4.314998       0.4487519 5.671564       0.4713268 -3.043430      1.466559  
1 1 1 12  18 36 o 36.87271 0.7353371 13.60586       0.5390849 13.41689       0.7218567 13.84415       0.8105987 -0.5688133     1.470674  
1 1 1 12  18 37 o 53.00871 0.9671840 28.21290       1.024939  27.68428       1.424257  28.78069       1.476098  -1.025372      1.934368  
1 1 1 12  18 38 o 40.73003 0.8581866 16.42079       0.6938691 18.64284       1.063001  14.77114       0.9159055 4.730488       1.716373  
1 1 1 12  18 39 o 55.93613 0.8237209 31.35815       0.9145987 31.75562       1.384624  31.05050       1.218180  0.6044159      1.647442  
1 1 1 12  18 40 o 17.43380 0.9408699 3.018096       0.3249791 3.314258       0.5027779 2.805572       0.4259080 1.444454       1.881740  
1 1 1 12  18 41 o 39.27780 0.8915098 15.50019       0.6996034 15.41867       0.9664373 15.58995       1.014057  -0.2086525     1.783020  
1 1 1 12  18 42 o 28.00844 0.9028226 7.778325       0.5022199 6.947045       0.6650002 8.881845       0.7661933 -3.433744      1.805645  
1 1 1 12  18 43 o 15.47300 1.797152  0.000000       0.000000  ?              ?         2.419966       0.5561469 ?              ?         
1 1 1 12  18 44 o 32.67219 1.233838  10.73233       0.8062440 10.73233       0.8062440 ?              ?         ?              ?         
1 1 1 12  18 45 o 43.81587 1.174333  18.96397       0.9606039 20.56222       1.727074  18.24805       1.155897  2.474125       2.348666  
1 1 1 12  19 0  o 173.0223 1.833402  299.8083       6.340107  306.3669       9.170526  293.8032       8.775073  3.613220       3.666803  
1 1 1 12  19 1  o 47.14226 0.6664100 22.02049       0.6249987 20.21775       0.8332417 24.33945       0.9450406 -4.369713      1.332820  
1 1 1 12  19 2  f 86.13042 0.9833406 74.10779       1.691843  76.74727       2.467899  71.76743       2.323848  2.887238       1.966681  
1 1 1 12  19 3  o 110.1688 1.488312  116.8519       2.957426  111.1146       3.456946  132.5132       5.711536  -9.622978      2.976625  
1 1 1 12  19 4  f 131.7128 2.804229  0.000000       0.000000  ?              ?         174.0257       7.387053  ?              ?         
1 1 1 12  19 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  19 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  19 7  o 193.7789 2.905757  378.3961       11.26092  382.6906       16.01959  374.2014       15.83275  2.172684       5.811513  
1 1 1 12  19 8  o 57.34608 0.7340629 32.75527       0.8394229 31.08133       1.135091  34.77567       1.247036  -3.218334      1.468126  
1 1 1 12  19 9  o 65.64665 0.8018956 42.79515       1.047659  46.37109       1.580206  39.99057       1.399436  4.854759       1.603791  
1 1 1 12  19 10 o 104.9130 1.157743  109.9666       2.424793  106.2978       3.310721  114.2118       3.561328  -3.761101      2.315486  
1 1 1 12  19 11 o 13.39099 0.6950851 1.794775       0.1859955 1.778616       0.2680309 1.809783       0.2583128 -0.1166430     1.390170  
1 1 1 12  19 12 o 166.6036 1.772871  278.3282       5.901779  271.8840       8.137711  285.4785       8.571963  -4.046463      3.545742  
1 1 1 12  19 13 o 69.60321 0.8468797 48.49049       1.178874  48.51578       1.660808  48.46479       1.673623  0.3711700E-01  1.693759  
1 1 1 12  19 14 f 195.8379 2.075061  385.1413       8.117295  375.4543       11.15142  396.0588       11.83854  -5.194595      4.150123  
1 1 1 12  19 15 o 127.7836 1.386732  163.6438       3.542731  161.1664       4.930552  166.2881       5.093791  -1.993088      2.773465  
1 1 1 12  19 16 o 133.8860 2.023459  179.5657       5.399104  171.9108       7.278432  188.9315       8.050833  -6.276230      4.046918  
1 1 1 12  19 17 o 57.89925 0.7520795 33.53018       0.8704842 32.88100       1.208693  34.22972       1.254697  -1.162857      1.504159  
1 1 1 12  19 18 o 91.55789 1.040836  83.68886       1.901110  80.24685       2.579937  87.77852       2.812205  -4.099716      2.081672  
1 1 1 12  19 19 o 32.71105 1.014785  10.87752       0.5963492 11.08895       0.7065704 10.35393       1.111898  1.146912       2.029569  
1 1 1 12  19 20 f 55.35690 0.7350196 30.65937       0.8134395 30.17397       1.131234  31.17909       1.170526  -0.9059677     1.470039  
1 1 1 12  19 21 o 46.26951 0.6841479 21.26441       0.6301228 19.80540       0.8425955 23.11575       0.9491460 -3.572121      1.368296  
1 1 1 12  19 22 f 108.4285 1.201128  117.8787       2.604261  119.2817       3.725927  116.5385       3.641487  1.257851       2.402256  
1 1 1 12  19 23 o 21.29242 0.6515158 4.473181       0.2743489 3.634333       0.3665527 5.541619       0.4136848 -4.476410      1.303032  
1 1 1 12  19 24 o 28.23230 0.6220212 7.982261       0.3509204 8.368451       0.4964904 7.596734       0.4960627 1.366705       1.244042  
1 1 1 12  19 25 f 15.76265 0.7551075 2.484253       0.2376614 2.693164       0.3430094 2.291358       0.3295995 1.273642       1.510215  
1 1 1 12  19 26 o 32.09825 0.6426853 10.28722       0.4119163 11.12698       0.5989704 9.533673       0.5673870 2.479902       1.285371  
1 1 1 12  19 27 o 44.98645 0.6928116 20.13117       0.6209555 18.75357       0.8347007 21.83839       0.9292095 -3.421745      1.385623  
1 1 1 12  19 28 o 126.1291 1.713723  161.6198       4.091712  157.0998       6.972801  163.9936       5.053216  -3.087593      3.427447  
1 1 1 12  19 29 o 24.84807 1.497432  6.223050       0.7427562 5.740532       1.043179  6.719194       1.057806  -1.966717      2.994865  
1 1 1 12  19 30 o 72.82738 0.8933016 53.13662       1.300244  54.56572       1.881740  51.83083       1.798714  1.868286       1.786603  
1 1 1 12  19 31 f 18.61513 0.7661937 3.478328       0.2833508 2.975926       0.3954925 4.008192       0.4061574 -2.771561      1.532387  
1 1 1 12  19 32 o 43.22647 0.7049574 18.50122       0.6057289 16.67533       0.8048816 20.88594       0.9198427 -4.859241      1.409915  
1 1 1 12  19 33 o 58.49952 0.7941003 34.31161       0.9290670 34.46438       1.311305  34.15764       1.316509  0.2627792      1.588201  
1 1 1 12  19 34 o 38.86758 0.6941810 15.12874       0.5394372 14.61011       0.7532041 15.67491       0.7729374 -1.367722      1.388362  
1 1 1 12  19 35 o 63.73758 0.8397482 40.73503       1.069955  39.97324       1.485547  41.55619       1.542342  -1.233768      1.679496  
1 1 1 12  19 36 o 8.289785 1.445754  0.7301184      0.2386290 0.6279483      0.3579999 0.8118082      0.3201140 -1.029255      2.891507  
1 1 1 12  19 37 o 43.01248 0.7394752 18.41371       0.6300348 19.51425       0.9712465 17.61416       0.8278435 2.189812       1.478950  
1 1 1 12  19 38 o 42.69709 0.7993184 18.27077       0.6821308 19.11841       0.9843239 17.48757       0.9461644 1.903904       1.598637  
1 1 1 12  19 39 o 26.97645 0.8333669 7.200809       0.4463658 8.394114       0.6791533 6.293363       0.5922464 3.879133       1.666734  
1 1 1 12  19 40 f 17.08885 0.9815068 2.938742       0.3346955 2.927864       0.4895921 2.948286       0.4585893 -0.6654549E-01 1.963014  
1 1 1 12  19 41 o 55.43608 1.239078  30.97974       1.294404  31.17519       2.245941  30.88254       1.583918  0.8395767E-01  2.478156  
1 1 1 12  19 42 o 49.32919 1.928874  24.63948       1.902995  24.63948       1.902995  ?              ?         ?              ?         
1 1 1 12  19 43 o 40.10909 0.9062631 16.18247       0.7262824 17.12151       1.033355  15.26577       1.020994  2.310574       1.812526  
1 1 1 12  19 44 o 17.10195 1.686274  0.000000       0.000000  ?              ?         2.954479       0.5767714 ?              ?         
1 1 1 12  20 0  o 145.7583 1.922985  213.4551       5.281553  212.3260       9.144888  214.0201       6.469627  -0.7448425     3.845970  
1 1 1 12  20 1  o 78.30137 1.341652  60.81962       2.087761  66.63324       3.178327  56.40728       2.768914  6.511810       2.683305  
1 1 1 12  20 2  o 108.4338 1.722792  117.6531       3.730262  122.2667       5.465045  113.6286       5.104196  3.962410       3.445584  
1 1 1 12  20 3  o 72.32092 1.085235  53.44596       1.490420  56.09362       1.864336  48.75733       2.480934  5.094147       2.170471  
1 1 1 12  20 4  o 168.6236 1.791699  284.4488       6.028752  296.2366       8.892146  274.4209       8.201552  6.426376       3.583398  
1 1 1 12  20 5  o 57.25827 0.7356547 32.76716       0.8419750 33.94335       1.215371  31.68173       1.167534  1.973686       1.471309  
1 1 1 12  20 6  o 211.8253 2.729387  453.5877       10.97404  456.6426       13.56239  447.7947       18.67607  2.600082       5.458773  
1 1 1 12  20 7  o 67.12334 1.089723  45.03088       1.460865  46.65753       2.135587  43.60029       2.002755  2.271538       2.179447  
1 1 1 12  20 8  o 53.43578 0.9200294 28.57093       0.9830194 28.01971       1.372202  29.15205       1.408924  -1.058098      1.840059  
1 1 1 12  20 9  o 161.1526 2.414823  261.6058       7.783096  261.5376       11.00533  261.6741       11.00860  -0.4200745E-01 4.829645  
1 1 1 12  20 10 o 52.05611 0.8083546 27.15350       0.8173918 26.98444       1.322162  27.25809       1.039935  -0.2731056     1.616709  
1 1 1 12  20 11 o 55.91830 0.7352839 31.20834       0.8210860 32.81459       1.202060  29.80337       1.124226  2.689846       1.470568  
1 1 1 12  20 12 o 54.68217 0.7260028 29.78991       0.7917112 28.24544       1.071222  31.64907       1.175299  -3.108528      1.452006  
1 1 1 12  20 13 o 98.84844 1.523306  97.13437       2.989583  105.2931       4.572236  91.04132       3.951240  7.160706       3.046613  
1 1 1 12  20 14 o 132.0008 1.428296  174.7044       3.769503  177.4669       5.414629  172.1063       5.250903  2.018097       2.856593  
1 1 1 12  20 15 o 49.81176 0.6944571 24.71770       0.6901636 26.52742       1.020058  23.18983       0.9372672 3.347061       1.388914  
1 1 1 12  20 16 f 63.88637 0.7987680 40.84626       1.020481  41.61248       1.456437  40.10733       1.430273  1.176804       1.597536  
1 1 1 12  20 17 o 47.60386 0.6826286 22.36951       0.6444257 20.40196       0.8467581 25.07769       0.9934226 -4.904953      1.365257  
1 1 1 12  20 18 o 21.95229 1.182331  4.839435       0.4383518 4.845997       0.5005116 4.817825       0.9081982 0.9545135E-01  2.364662  
1 1 1 12  20 19 o 105.7012 1.176313  111.7684       2.482094  107.9431       3.387560  116.2026       3.647228  -3.885529      2.352625  
1 1 1 12  20 20 f 68.56682 0.8434838 47.00636       1.155378  45.59359       1.588485  48.59331       1.683558  -2.181732      1.686968  
1 1 1 12  20 21 o 40.38481 0.6558225 16.32932       0.5293264 17.10673       0.7508772 15.56135       0.7463049 1.913086       1.311645  
1 1 1 12  20 22 o 71.17924 0.8641915 50.57521       1.227036  48.41722       1.664020  53.14706       1.816581  -3.311440      1.728383  
1 1 1 12  20 23 o 30.91364 0.6289154 9.563594       0.3887715 9.440978       0.5435717 9.692000       0.5562596 -0.4052906     1.257831  
1 1 1 12  20 24 o 76.73486 0.9175176 58.96952       1.407222  57.67195       1.948576  60.38396       2.034423  -1.759392      1.835035  
1 1 1 12  20 25 o 14.15834 0.7901476 2.009105       0.2236468 2.064730       0.3150620 1.952609       0.3175210 0.3961554      1.580295  
1 1 1 12  20 26 o 18.17875 1.779947  3.393937       0.6324627 3.672277       0.8335508 3.016259       0.9709676 1.830360       3.559894  
1 1 1 12  20 27 o 23.16571 1.274531  5.264798       0.5041289 5.149298       0.5752870 5.646964       1.046453  -1.006847      2.549062  
1 1 1 12  20 28 o 66.95131 0.8471009 44.92869       1.134029  44.57678       1.584313  45.29842       1.623940  -0.5347977     1.694202  
1 1 1 12  20 29 o 36.01717 0.6773685 12.91902       0.4864559 14.31848       0.7185240 11.73475       0.6609781 3.581676       1.354737  
1 1 1 12  20 30 o 26.92277 0.6743304 7.251490       0.3626009 7.807015       0.5223426 6.734806       0.5037528 1.989563       1.348661  
1 1 1 12  20 31 o 25.89116 0.6844843 6.713627       0.3543476 6.934124       0.5061386 6.501659       0.4962540 0.8341980      1.368969  
1 1 1 12  20 32 o 21.56027 0.7208722 4.658492       0.3108423 4.672611       0.4393705 4.644344       0.4398246 0.6560135E-01  1.441744  
1 1 1 12  20 33 o 26.61835 0.6902429 7.099737       0.3673076 6.822080       0.5162994 7.384281       0.5226617 -1.055347      1.380486  
1 1 1 12  20 34 o 46.58876 0.7279274 21.71074       0.6774704 22.97189       0.9862754 20.58413       0.9321866 2.555759       1.455855  
1 1 1 12  20 35 o 24.87704 0.7182068 6.206407       0.3571095 5.936133       0.5039646 6.478976       0.5061005 -1.090780      1.436414  
1 1 1 12  20 36 o 21.46850 0.7929978 4.615123       0.3399829 4.778575       0.4974427 4.471842       0.4657386 0.7097912      1.585996  
1 1 1 12  20 37 o 39.18274 0.8430198 15.39060       0.6600946 15.99787       0.9574365 14.84044       0.9113010 1.469299       1.686040  
1 1 1 12  20 38 o 64.61929 1.108560  41.87682       1.428736  44.41103       2.118837  39.76379       1.934762  3.553886       2.217121  
1 1 1 12  20 39 o 11.99700 1.330410  1.529500       0.2997676 1.188055       0.4512506 1.799196       0.4010469 -2.738166      2.660820  
1 1 1 12  20 40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  20 41 o 12.95142 1.170730  1.676019       0.3016866 1.884476       0.4548593 1.512296       0.4031110 1.422040       2.341460  
1 1 1 12  20 42 o 63.60740 1.103374  40.49447       1.396580  43.81401       2.108043  37.89780       1.864441  4.584415       2.206747  
1 1 1 12  20 43 o 13.59721 3.293123  0.000000       0.000000  ?              ?         1.995143       0.8873284 ?              ?         
1 1 1 12  21 0  o 70.84930 0.8491011 50.23061       1.203014  49.85990       1.685660  50.61543       1.717421  -0.5321198     1.698202  
1 1 1 12  21 1  o 110.9791 1.219940  123.3454       2.707239  124.9127       3.874726  121.8506       3.784110  1.375023       2.439880  
1 1 1 12  21 2  o 37.43985 0.6185649 13.85560       0.4603187 12.45030       0.6116572 15.69108       0.6990359 -4.325684      1.237130  
1 1 1 12  21 3  o 59.45226 0.7536561 35.16282       0.8929036 37.80436       1.333824  33.01775       1.201959  4.021240       1.507312  
1 1 1 12  21 4  o 17.88269 0.6342182 3.192116       0.2265212 2.977321       0.3125642 3.429729       0.3287468 -1.264477      1.268436  
1 1 1 12  21 5  o 106.7926 1.180034  113.8522       2.513689  119.4952       3.722355  109.1216       3.408172  4.840172       2.360068  
1 1 1 12  21 6  o 53.89332 0.7132321 29.02067       0.7681320 30.14699       1.114327  28.00093       1.060292  1.989258       1.426464  
1 1 1 12  21 7  o 63.38789 0.7872903 40.20892       0.9979193 39.99054       1.396662  40.43668       1.426349  -0.3508072     1.574581  
1 1 1 12  21 8  o 66.77003 0.8209590 44.62236       1.096107  44.56503       1.534991  44.68201       1.565724  -0.8638000E-01 1.641918  
1 1 1 12  21 9  o 77.34538 1.226678  59.71218       1.891834  57.05871       2.558149  62.91507       2.810541  -3.770287      2.453356  
1 1 1 12  21 10 o 58.86102 0.8764938 34.98223       1.008910  36.20664       1.309907  33.19656       1.581900  2.569260       1.752988  
1 1 1 12  21 11 o 87.18467 1.361740  76.18089       2.373398  77.65295       3.418768  74.81141       3.297498  1.620758       2.723480  
1 1 1 12  21 12 o 134.7671 2.038094  181.6389       5.465420  193.8295       8.244086  172.0799       7.300237  7.963898       4.076187  
1 1 1 12  21 13 o 90.31621 1.306629  80.88367       2.294472  85.59999       3.756091  78.07603       2.898037  4.101921       2.613259  
1 1 1 12  21 14 o 68.52318 0.8418875 46.57034       1.146449  50.85750       1.745270  43.31627       1.520514  5.491241       1.683775  
1 1 1 12  21 15 o 92.09151 1.048210  84.96667       1.930372  85.92572       2.757255  84.04469       2.703457  1.017555       2.096421  
1 1 1 12  21 16 o 41.80166 1.116849  17.36218       0.9283298 20.21602       1.381247  15.01102       1.253713  6.215866       2.233698  
1 1 1 12  21 17 o 45.81876 0.6795188 21.00729       0.6226053 21.48160       0.8882399 20.54917       0.8729529 1.016792       1.359038  
1 1 1 12  21 18 o 61.20149 0.7833872 37.47878       0.9585496 38.51817       1.377874  36.50400       1.334360  1.642998       1.566774  
1 1 1 12  21 19 o 15.18056 0.7322178 2.309701       0.2212008 2.614784       0.3166816 2.019040       0.3091063 1.961744       1.464436  
1 1 1 12  21 20 o 14.40348 0.7789996 2.083618       0.2206030 1.609648       0.3047942 2.605078       0.3196989 -3.454550      1.557999  
1 1 1 12  21 21 o 24.46152 0.6412926 5.936882       0.3123159 5.405802       0.4185448 6.604107       0.4691345 -2.446426      1.282585  
1 1 1 12  21 22 o 81.96101 0.9657854 67.24403       1.581186  65.30184       2.172021  69.43372       2.306284  -2.507782      1.931571  
1 1 1 12  21 23 o 97.71426 1.396460  95.67439       2.528623  96.98098       4.539562  95.08662       3.044701  0.7551193      2.792921  
1 1 1 12  21 24 o 17.28359 2.020002  3.237852       0.6485882 3.963386       0.8625512 2.293894       0.9838579 5.106870       4.040003  
1 1 1 12  21 25 o 46.32298 0.6993539 21.28362       0.6443843 19.53271       0.8582867 23.54552       0.9755232 -4.321918      1.398708  
1 1 1 12  21 26 o 38.00520 0.6658105 14.41921       0.5050216 13.77640       0.6875156 15.17254       0.7442729 -1.832165      1.331621  
1 1 1 12  21 27 o 26.65652 0.6586689 7.120781       0.3508243 7.213609       0.4875351 7.021096       0.5052184 0.3626118      1.317338  
1 1 1 12  21 28 o 18.13615 0.7496755 3.292364       0.2709680 3.687833       0.3909198 2.926636       0.3759326 2.097048       1.499351  
1 1 1 12  21 29 o 37.45524 0.6797200 14.04963       0.5090441 14.51727       0.7267411 13.59920       0.7132428 1.224281       1.359440  
1 1 1 12  21 30 o 25.60077 0.6857476 6.504849       0.3488895 7.632530       0.5198970 5.580930       0.4705882 4.001986       1.371495  
1 1 1 12  21 31 o 22.82433 0.7063359 5.219486       0.3223981 5.133490       0.4521077 5.308461       0.4598710 -0.3824711     1.412672  
1 1 1 12  21 32 o 14.62482 0.8895188 2.139412       0.2594787 2.374075       0.3783755 1.931080       0.3565159 1.511275       1.779038  
1 1 1 12  21 33 o 48.21204 0.7390643 23.30635       0.7125499 23.25140       0.9994290 23.36316       1.016175  -0.1137314     1.478129  
1 1 1 12  21 34 o 23.74843 0.7370197 5.649829       0.3491082 5.094943       0.4853383 6.244740       0.5025380 -2.418535      1.474039  
1 1 1 12  21 35 o 39.46115 0.8063859 15.61634       0.6347127 15.75524       0.9342752 15.49728       0.8649649 0.3162804      1.612772  
1 1 1 12  21 36 o 32.90466 0.8130024 10.85312       0.5346723 10.38675       0.7411677 11.35917       0.7720599 -1.472618      1.626005  
1 1 1 12  21 37 o 37.49039 1.024443  13.69567       0.7141432 15.36394       1.303473  12.98012       0.8536676 3.080082       2.048887  
1 1 1 12  21 38 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  21 39 o 35.43137 0.8451563 12.41159       0.5940375 10.95811       0.7829961 14.38276       0.9118385 -4.807701      1.690313  
1 1 1 12  21 40 o 35.76489 0.8493333 12.85750       0.6074387 12.90838       0.8528116 12.80511       0.8654232 0.1470642      1.698667  
1 1 1 12  21 41 o 28.75797 0.8447428 8.224337       0.4827669 9.640331       0.7220868 7.079816       0.6491876 4.436848       1.689486  
1 1 1 12  22 0  o 58.07116 0.7511831 33.72416       0.8721159 34.65599       1.254282  32.85201       1.213448  1.551807       1.502366  
1 1 1 12  22 1  o 97.55878 1.093663  95.29729       2.133381  96.75750       3.059406  93.91520       2.976418  1.452362       2.187325  
1 1 1 12  22 2  o 28.63338 1.132169  8.149720       0.6458461 7.386723       0.8706234 9.083391       0.9630886 -2.957659      2.264338  
1 1 1 12  22 3  o 63.83318 0.8694572 40.85225       1.098872  40.34079       1.671456  41.24159       1.458334  -0.7147560     1.738914  
1 1 1 12  22 4  o 43.89162 0.8219402 19.28106       0.7214651 19.10686       1.012322  19.46086       1.028482  -0.4025879     1.643880  
1 1 1 12  22 5  o 121.5719 1.696018  148.0474       4.036096  150.2456       6.423531  146.6134       5.188137  1.385262       3.392036  
1 1 1 12  22 6  f 44.38092 0.6597441 19.27641       0.5787498 22.77204       0.9061713 16.86819       0.7521352 6.645927       1.319488  
1 1 1 12  22 7  o 46.58742 0.6712545 21.71366       0.6253593 22.18026       0.8917916 21.26224       0.8771728 0.9847412      1.342509  
1 1 1 12  22 8  o 40.82683 0.6460536 16.44733       0.5234746 14.83474       0.6901712 18.63156       0.8032359 -4.645893      1.292107  
1 1 1 12  22 9  o 48.95151 0.6923478 23.98317       0.6777624 24.28076       0.9562550 23.68275       0.9607623 0.6109962      1.384696  
1 1 1 12  22 10 o 32.75133 0.6136300 10.64357       0.4002553 9.589807       0.5388117 11.94104       0.5978779 -3.587381      1.227260  
1 1 1 12  22 11 o 91.38084 1.039954  83.42661       1.896722  87.25643       2.793336  80.15018       2.583657  3.874535       2.079909  
1 1 1 12  22 12 o 92.07699 1.047673  84.95689       1.929290  85.46485       2.739496  84.45705       2.717492  0.5457001      2.095346  
1 1 1 12  22 13 o 48.28479 0.8484873 23.26860       0.8179309 25.15471       1.195306  21.60773       1.121661  3.668591       1.696975  
1 1 1 12  22 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  22 15 f 70.90252 1.149674  50.32100       1.628321  52.14186       2.375017  48.70593       2.236783  2.411362       2.299347  
1 1 1 12  22 16 o 34.90305 0.7476075 12.17139       0.5213113 12.89562       0.7572231 11.51884       0.7187700 1.970005       1.495215  
1 1 1 12  22 17 o 67.21819 0.9820511 44.96265       1.263578  46.39258       2.136107  44.19299       1.567170  1.589890       1.964102  
1 1 1 12  22 18 o 33.79864 0.6325901 11.43793       0.4274017 11.54562       0.5967662 11.32452       0.6124121 0.3279495      1.265180  
1 1 1 12  22 19 o 22.70936 0.6416801 5.155391       0.2912142 4.974417       0.4022488 5.354716       0.4221497 -0.8361130     1.283360  
1 1 1 12  22 20 o 18.97407 1.352045  4.270314       0.3577988 2.744606       0.8383920 4.610073       0.3956371 -4.967731      2.704091  
1 1 1 12  22 21 o 68.43455 1.317212  47.07224       1.802588  46.96841       2.526280  47.17992       2.572848  -0.1481018     2.634425  
1 1 1 12  22 22 o 96.11458 1.385219  92.25266       2.449610  91.22300       2.929152  94.64806       4.467705  -1.553841      2.770438  
1 1 1 12  22 23 o 28.45201 0.6436620 8.104033       0.3661738 8.370262       0.5220638 7.846231       0.5137324 0.9202824      1.287324  
1 1 1 12  22 24 o 36.59785 0.6637300 13.40617       0.4855114 14.10066       0.6953018 12.74533       0.6782493 1.850269       1.327460  
1 1 1 12  22 25 o 20.16536 0.6881114 4.071787       0.2765051 4.557068       0.3975305 3.616968       0.3848520 2.329849       1.376223  
1 1 1 12  22 26 f 58.61592 0.7884775 34.43959       0.9243113 34.39561       1.301109  34.48439       1.313323  -0.7443237E-01 1.576955  
1 1 1 12  22 27 o 24.61435 0.6738627 6.060249       0.3313535 6.484048       0.4780878 5.668483       0.4596644 1.654966       1.347725  
1 1 1 12  22 28 o 32.50283 0.6649415 10.57875       0.4318625 11.21669       0.6177144 9.968817       0.6040079 1.918310       1.329883  
1 1 1 12  22 29 o 33.85849 0.6728169 11.48801       0.4554151 11.56787       0.6360579 11.40400       0.6523600 0.2436218      1.345634  
1 1 1 12  22 30 o 17.23344 0.7753308 2.977388       0.2671837 2.899224       0.3748324 3.058124       0.3809515 -0.4602489     1.550662  
1 1 1 12  22 31 o 81.00862 0.9762236 65.85069       1.580297  64.01557       2.180579  67.88070       2.293446  -2.366325      1.952447  
1 1 1 12  22 32 o 23.94490 0.7196013 5.748417       0.3445966 5.747989       0.4899032 5.748837       0.4848033 -0.2418518E-02 1.439203  
1 1 1 12  22 33 o 66.97902 1.005664  45.10033       1.306787  45.08313       2.123046  45.11082       1.658112  -0.1056900     2.011329  
1 1 1 12  22 34 o 20.22542 0.8395221 4.088466       0.3387657 4.492947       0.4971474 3.737851       0.4628621 1.861036       1.679044  
1 1 1 12  22 35 f 48.31417 1.315558  0.000000       0.000000  ?              ?         23.45898       1.271201  ?              ?         
1 1 1 12  22 36 o 21.94099 1.803934  4.863616       0.7916020 4.863616       0.7916020 ?              ?         ?              ?         
1 1 1 12  22 37 o 45.78339 0.8995863 21.03572       0.8228816 20.38259       1.132922  21.76505       1.197197  -1.496899      1.799173  
1 1 1 12  22 38 o 55.89260 1.005771  31.41553       1.123306  30.63418       1.549664  32.28064       1.630615  -1.453556      2.011543  
1 1 1 12  22 39 o 8.091002 1.585160  0.6881117      0.2641149 0.6557087      0.4017697 0.7127710      0.3504895 -0.2622476     3.170321  
1 1 1 12  22 40 o 22.51332 0.8560383 5.074233       0.3846732 5.456819       0.5654611 4.744656       0.5248286 1.573034       1.712077  
1 1 1 12  23 0  o 67.37259 0.8279862 45.43613       1.115638  45.91731       1.583792  44.96222       1.571776  0.7082672      1.655972  
1 1 1 12  23 1  o 82.77215 0.9592572 68.60220       1.587893  69.28535       2.261438  67.93784       2.230128  0.8123322      1.918514  
1 1 1 12  23 2  o 92.04473 1.045182  84.84641       1.923767  86.00300       2.750609  83.73892       2.691585  1.226471       2.090364  
1 1 1 12  23 3  o 58.40350 0.7569264 33.95960       0.8813185 36.40215       1.312132  31.95193       1.189602  3.804672       1.513853  
1 1 1 12  23 4  o 41.86309 0.6479707 17.50614       0.5419408 16.88685       0.7456064 18.19975       0.7890801 -1.566475      1.295941  
1 1 1 12  23 5  o 120.0181 1.312672  143.9279       3.141757  151.1910       4.661922  137.8845       4.252483  5.511574       2.625343  
1 1 1 12  23 6  o 28.63742 0.6083918 8.181181       0.3476076 9.031772       0.5059019 7.420460       0.4784303 2.812260       1.216784  
1 1 1 12  23 7  o 70.47716 0.9352509 49.95096       1.312602  54.35141       1.836250  45.35294       1.877022  6.386452       1.870502  
1 1 1 12  23 8  f 117.2458 1.694853  137.7119       3.859183  136.0742       4.890315  140.4154       6.283239  -1.689682      3.389705  
1 1 1 12  23 9  o 38.80725 0.9779654 15.34699       0.7160332 15.91019       0.8862615 14.28835       1.215089  2.111713       1.955931  
1 1 1 12  23 10 o 24.54362 1.088471  6.099203       0.3928437 6.128770       0.4294917 5.947797       0.9719077 0.4070168      2.176943  
1 1 1 12  23 11 o 84.41985 0.9795752 71.34344       1.652740  69.86022       2.286230  72.96710       2.392012  -1.832733      1.959150  
1 1 1 12  23 12 o 32.53782 0.6239387 10.40113       0.4022446 12.43342       0.6177626 8.905309       0.5299910 5.417398       1.247877  
1 1 1 12  23 13 o 85.45335 0.9922079 73.16807       1.695360  72.34794       2.367520  74.03125       2.428859  -0.9800110     1.984416  
1 1 1 12  23 14 o 8.505939 1.104896  0.7847690      0.1907417 0.1535969      0.2644995 1.468665       0.2753251 -7.207238      2.209792  
1 1 1 12  23 15 o 71.20039 0.8706411 50.78420       1.239725  51.47847       1.763985  50.10661       1.742682  0.9617538      1.741282  
1 1 1 12  23 16 f 32.97258 0.6366648 10.88368       0.4197809 11.14460       0.5952780 10.62558       0.5920548 0.7868576      1.273330  
1 1 1 12  23 17 o 54.12378 1.078826  28.91342       1.120850  31.06491       1.899477  27.76407       1.388321  2.994240       2.157652  
1 1 1 12  23 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  23 19 o 33.64836 1.057775  11.34120       0.7118477 11.34120       0.7118477 ?              ?         ?              ?         
1 1 1 12  23 20 f 41.04482 0.7497863 16.53104       0.5983151 18.31326       0.9881371 15.49940       0.7517968 3.407955       1.499573  
1 1 1 12  23 21 o 27.18815 0.6558804 7.276780       0.3533630 6.148657       0.4680082 8.772684       0.5389233 -4.820202      1.311761  
1 1 1 12  23 22 f 52.49125 0.7401085 27.60760       0.7769515 27.84898       1.097472  27.36506       1.100083  0.4612007      1.480217  
1 1 1 12  23 23 o 51.70296 0.7419397 26.63960       0.7650634 28.95532       1.133597  24.70248       1.036797  4.103321       1.483879  
1 1 1 12  23 24 o 76.76607 0.9285776 59.04604       1.424484  61.03572       2.066645  57.24514       1.966160  2.456261       1.857155  
1 1 1 12  23 25 o 61.59171 0.8130060 37.66431       0.9958158 41.56106       1.509760  34.66351       1.324876  5.578514       1.626012  
1 1 1 12  23 26 o 30.51547 0.6579993 9.320718       0.4013992 9.592898       0.5784268 9.067894       0.5574809 0.8582211      1.315999  
1 1 1 12  23 27 o 14.45935 0.8258206 2.099964       0.2372063 2.421262       0.3400371 1.795399       0.3310637 2.163125       1.651641  
1 1 1 12  23 28 o 28.89258 0.6672167 8.367564       0.3853977 8.617742       0.5440443 8.115558       0.5460305 0.8692665      1.334433  
1 1 1 12  23 29 o 52.19768 0.7584643 27.26015       0.7908471 28.68624       1.153080  25.99349       1.086720  2.570602       1.516929  
1 1 1 12  23 30 o 43.85709 0.7541233 19.31187       0.6591915 18.99796       0.9690968 19.58219       0.8992876 -0.6753349     1.508247  
1 1 1 12  23 31 o 20.04428 0.8139711 4.024252       0.3250897 4.110425       0.4832389 3.953012       0.4393773 0.3862171      1.627942  
1 1 1 12  23 32 o 23.46893 0.7921505 5.510909       0.3711683 5.090030       0.5108569 5.981515       0.5401934 -1.894796      1.584301  
1 1 1 12  23 33 f 30.16659 1.167042  0.000000       0.000000  ?              ?         9.135305       0.7041137 ?              ?         
1 1 1 12  23 34 o 32.30389 1.123456  10.47636       0.7258403 10.47636       0.7258403 ?              ?         ?              ?         
1 1 1 12  23 35 o 42.59836 0.8735499 18.21232       0.7436863 17.73048       1.027907  18.74157       1.077293  -1.177277      1.747100  
1 1 1 12  23 36 o 15.05750 1.024323  2.308718       0.3047455 1.957908       0.4400272 2.632076       0.4224599 -2.242738      2.048646  
1 1 1 12  23 37 o 54.52695 0.9916196 29.78535       1.077432  28.25749       1.450292  31.66722       1.609563  -3.087303      1.983239  
1 1 1 12  23 38 o 25.12618 0.8246385 6.343386       0.4143291 6.198316       0.5851833 6.489220       0.5867193 -0.5785789     1.649277  
1 1 1 12  23 39 o 38.94314 1.928059  0.000000       0.000000  ?              ?         15.37054       1.501693  ?              ?         
1 1 1 12  24 0  o 83.02155 0.9638669 69.03096       1.600092  68.24633       2.235344  69.85547       2.291443  -0.9654388     1.927734  
1 1 1 12  24 1  f 73.69154 0.8832965 53.93668       1.294740  58.64336       1.959837  50.29165       1.724698  5.652321       1.766593  
1 1 1 12  24 2  f 19.78754 0.6494957 3.915976       0.2561255 3.481868       0.3560732 4.381389       0.3686883 -2.272377      1.298991  
1 1 1 12  24 3  o 59.29517 0.7656768 35.10481       0.9066108 36.92420       1.328144  33.51734       1.240610  2.868084       1.531354  
1 1 1 12  24 4  o 74.58206 0.8905487 55.47670       1.324312  52.87291       1.789896  58.62621       1.968547  -3.845863      1.781097  
1 1 1 12  24 5  o 63.56485 0.8020471 40.45550       1.019625  40.76279       1.445566  40.15125       1.438395  0.4806366      1.604094  
1 1 1 12  24 6  o 81.52673 0.9541674 66.12949       1.548459  71.20684       2.331902  62.12489       2.070954  5.552139       1.908335  
1 1 1 12  24 7  o 97.38554 1.100123  95.07820       2.142628  94.80718       3.014352  95.35497       3.046167  -0.2786484     2.200245  
1 1 1 12  24 8  o 115.9435 1.277023  134.8066       2.959468  137.8927       4.276059  131.9693       4.100121  2.536842       2.554046  
1 1 1 12  24 9  o 26.53234 0.6242084 7.011278       0.3299746 7.935913       0.4841071 6.208918       0.4509630 3.252825       1.248417  
1 1 1 12  24 10 o 116.3170 1.281289  135.8192       2.980618  135.3280       4.195565  136.3198       4.235173  -0.4220810     2.562578  
1 1 1 12  24 11 f 31.30356 0.6319463 9.719444       0.3937307 11.09412       0.5880513 8.602417       0.5300875 3.976728       1.263893  
1 1 1 12  24 12 o 18.87329 0.6851995 3.556506       0.2557889 2.878810       0.3506574 4.327204       0.3739449 -3.835720      1.370399  
1 1 1 12  24 13 o 11.75569 0.8492058 1.374261       0.1988924 1.515697       0.2972334 1.259585       0.2676409 1.086890       1.698412  
1 1 1 12  24 14 f 21.32170 1.574000  4.604063       0.6641648 5.405478       0.9443164 3.819551       0.9343054 3.717453       3.148001  
1 1 1 12  24 15 o 37.90280 1.212230  14.46907       0.9163332 15.30205       1.275496  13.58061       1.317296  2.276150       2.424459  
1 1 1 12  24 16 o 78.44897 0.9377741 61.70157       1.471301  62.28610       2.090264  61.12757       2.071335  0.7365112      1.875548  
1 1 1 12  24 17 o 83.21873 0.9794979 69.41669       1.629593  71.05022       2.345779  67.89308       2.265501  1.888145       1.958996  
1 1 1 12  24 18 o 25.36792 0.6510059 6.446762       0.3298673 6.867301       0.4689074 6.034738       0.4641348 1.640617       1.302012  
1 1 1 12  24 19 o 37.26178 0.6633482 13.83135       0.4927686 15.45975       0.7250542 12.43357       0.6717541 4.056385       1.326696  
1 1 1 12  24 20 o 44.98421 0.7853324 19.48029       0.6721584 17.86523       0.8174520 22.85172       1.181066  -5.505772      1.570665  
1 1 1 12  24 21 o 60.31555 1.025458  36.38742       1.233748  34.73933       1.672445  38.35507       1.827401  -2.976051      2.050917  
1 1 1 12  24 22 o 47.14956 0.8749974 22.29673       0.8251022 22.36188       1.164754  22.23110       1.168999  0.1391869      1.749995  
1 1 1 12  24 23 o 15.58806 0.8443715 2.442135       0.2625411 2.250765       0.3729261 2.630182       0.3696735 -1.217397      1.688743  
1 1 1 12  24 24 o 59.87321 0.8077499 35.74025       0.9640150 38.45707       1.437059  33.51735       1.299885  4.108952       1.615500  
1 1 1 12  24 25 o 12.00488 0.9081299 1.445916       0.2179357 1.455307       0.3135297 1.437136       0.3031477 0.7427025E-01  1.816260  
1 1 1 12  24 26 o 34.76578 0.6773695 11.92962       0.4674137 10.49616       0.6181240 13.84387       0.7143040 -4.804039      1.354739  
1 1 1 12  24 27 o 42.37408 0.7056043 17.82999       0.5950293 16.25535       0.7952179 19.83320       0.8969307 -4.209209      1.411209  
1 1 1 12  24 28 o 52.59693 0.8116946 27.55511       0.8447216 29.07903       1.307331  26.46286       1.106790  2.458298       1.623389  
1 1 1 12  24 29 o 49.50708 0.8676399 24.57075       0.8542801 24.90691       1.281475  24.30185       1.146097  0.5899658      1.735280  
1 1 1 12  24 30 o 41.63102 0.8414646 17.38816       0.7004237 17.88338       1.004301  16.91917       0.9773459 1.153702       1.682929  
1 1 1 12  24 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  24 32 o 30.24538 0.7917427 9.183721       0.4788095 9.436052       0.6779413 8.932580       0.6763394 0.8320408      1.583485  
1 1 1 12  24 33 o 32.48262 0.7931819 10.56856       0.5147021 11.19496       0.7487192 10.00730       0.7087240 1.821119       1.586364  
1 1 1 12  24 34 o 29.62539 0.7986302 8.780560       0.4721908 9.604959       0.6898829 8.053958       0.6476713 2.610071       1.597260  
1 1 1 12  24 35 o 28.74646 0.8046046 8.295452       0.4622899 8.727259       0.6616520 7.883611       0.6461759 1.464388       1.609209  
1 1 1 12  24 36 o 16.79228 0.9563532 2.839871       0.3124157 2.028063       0.4262446 3.782242       0.4592436 -5.215484      1.912706  
1 1 1 12  24 37 f 31.98827 0.8158758 10.25169       0.5212369 9.635015       0.7161018 10.94657       0.7601492 -2.041128      1.631752  
1 1 1 12  25 0  o 20.59194 0.6828933 4.210075       0.2756514 5.497801       0.4105595 3.153139       0.3719534 5.691137       1.365787  
1 1 1 12  25 1  o 19.20081 0.6856316 3.678286       0.2626715 3.344846       0.3610212 4.053344       0.3828898 -1.843782      1.371263  
1 1 1 12  25 2  o 17.89180 0.7077201 3.172339       0.2515344 2.708627       0.3386848 3.742714       0.3756228 -2.887726      1.415440  
1 1 1 12  25 3  o 24.77837 0.6284199 6.145192       0.3114205 6.120253       0.4390630 6.170441       0.4417798 -0.1011353     1.256840  
1 1 1 12  25 4  o 142.2034 1.538683  203.2993       4.375115  201.0944       6.110030  205.6195       6.267676  -1.570770      3.077367  
1 1 1 12  25 5  o 44.70909 0.6731194 20.00420       0.6017206 19.74786       0.8390945 20.27556       0.8633465 -0.5887604     1.346239  
1 1 1 12  25 6  o 29.54282 0.6320897 8.733723       0.3731869 8.670914       0.5168735 8.802116       0.5393775 -0.2208118     1.264179  
1 1 1 12  25 7  o 107.3392 1.196085  115.3842       2.563590  119.9243       3.757073  111.4289       3.506782  3.930283       2.392170  
1 1 1 12  25 8  o 69.31361 0.8539287 48.13570       1.183748  47.98298       1.667167  48.29097       1.681065  -0.2210617     1.707857  
1 1 1 12  25 9  o 79.70387 0.9440716 63.64627       1.504100  62.58908       2.086472  64.79003       2.170239  -1.372925      1.888143  
1 1 1 12  25 10 o 40.41451 0.9402402 16.69936       0.6751249 15.66344       1.276315  17.10183       0.7955335 -1.824207      1.880480  
1 1 1 12  25 11 o 25.28985 1.409662  6.519406       0.6988285 7.985187       0.9872148 5.047206       0.9893745 5.808929       2.819323  
1 1 1 12  25 12 o 45.98158 0.9708555 20.57432       0.7572778 20.04205       0.8607457 22.39758       1.593070  -2.488331      1.941711  
1 1 1 12  25 13 o 89.10197 1.031681  79.53602       1.836568  82.08611       2.672658  77.25453       2.527974  2.695007       2.063362  
1 1 1 12  25 14 o 17.19895 0.7364853 2.966584       0.2521680 2.609529       0.3528666 3.339244       0.3604945 -2.120760      1.472971  
1 1 1 12  25 15 o 50.07566 0.7249689 25.06814       0.7249023 24.26215       0.9918734 25.99223       1.062055  -1.721455      1.449938  
1 1 1 12  25 16 f 70.27750 0.8706108 49.51978       1.223667  49.56431       1.726004  49.47477       1.735084  0.6467438E-01  1.741222  
1 1 1 12  25 17 f 71.86507 0.8901176 51.79503       1.279352  51.87396       1.805653  51.71546       1.812922  0.1111069      1.780235  
1 1 1 12  25 18 o 71.38572 0.8803481 51.02002       1.255570  53.01684       1.827553  49.23499       1.727922  2.637177       1.760696  
1 1 1 12  25 19 o 52.38640 0.7490337 27.50545       0.7846864 27.95659       1.108423  27.05219       1.111009  0.8634682      1.498067  
1 1 1 12  25 20 o 30.95596 0.6521408 9.600710       0.4035951 9.676655       0.5642384 9.521144       0.5775330 0.2523861      1.304282  
1 1 1 12  25 21 o 16.46011 0.7660370 2.710265       0.2512583 2.401115       0.3472539 3.049958       0.3640033 -1.969095      1.532074  
1 1 1 12  25 22 o 17.77855 0.7320807 3.157619       0.2593773 2.801161       0.3568371 3.556932       0.3776793 -2.123278      1.464161  
1 1 1 12  25 23 o 35.17883 0.6753926 12.32320       0.4736098 11.44848       0.6389397 13.38990       0.7055784 -2.752407      1.350785  
1 1 1 12  25 24 o 29.67440 0.7117658 8.829439       0.4191678 8.847624       0.5594838 8.806172       0.6328605 0.7859612E-01  1.423532  
1 1 1 12  25 25 o 61.61034 1.049268  37.95080       1.287780  35.88450       1.730012  40.51846       1.928506  -3.724098      2.098536  
1 1 1 12  25 26 o 80.35115 1.292656  65.10025       2.077303  65.41364       2.946452  64.79054       2.929126  0.3837738      2.585312  
1 1 1 12  25 27 o 12.66189 0.9832007 1.616879       0.2477673 1.542954       0.3638097 1.680825       0.3383642 -0.5489492     1.966401  
1 1 1 12  25 28 o 28.74626 1.105416  0.000000       0.000000  ?              ?         8.290972       0.6355316 ?              ?         
1 1 1 12  25 29 o 45.79463 1.244728  21.06318       1.140038  21.06318       1.140038  ?              ?         ?              ?         
1 1 1 12  25 30 o 29.80693 0.7752689 8.836497       0.4600320 10.01965       0.6876640 7.878076       0.6189198 3.581049       1.550538  
1 1 1 12  25 31 o 49.42396 0.9169940 24.55201       0.9062772 24.33050       1.267970  24.78335       1.295823  -0.4524536     1.833988  
1 1 1 12  25 32 o 34.04751 0.7984014 11.56267       0.5418751 12.79429       0.8042513 10.53876       0.7333069 3.299625       1.596803  
1 1 1 12  25 33 o 17.86551 0.8842542 3.196868       0.3153598 3.413177       0.4633562 3.010206       0.4304338 1.120878       1.768508  
1 1 1 12  25 34 o 22.89391 0.8152390 5.258660       0.3730019 5.471802       0.5402371 5.064491       0.5156314 0.8845005      1.630478  
1 1 1 12  25 35 o 10.73696 1.290104  1.239450       0.2600305 0.8451816      0.3817559 1.580696       0.3551601 -3.584291      2.580208  
1 1 1 12  26 0  o 36.91310 0.6451630 13.64174       0.4762664 13.80315       0.6727718 13.47960       0.6743158 0.4383469      1.290326  
1 1 1 12  26 1  o 85.53717 0.9940915 73.12798       1.696330  70.26260       2.302407  76.53012       2.508807  -3.643890      1.988183  
1 1 1 12  26 2  o 25.01791 0.6569435 6.201253       0.3266975 5.364458       0.4391314 7.238497       0.4889064 -3.742184      1.313887  
1 1 1 12  26 3  o 50.62157 0.7178670 25.63163       0.7259809 25.03856       0.9990402 26.29523       1.056775  -1.237068      1.435734  
1 1 1 12  26 4  o 69.77954 0.8604804 48.61739       1.197989  51.32314       1.770823  46.33400       1.626754  3.562187       1.720961  
1 1 1 12  26 5  o 43.17616 0.6754322 18.61216       0.5822584 17.75043       0.7955394 19.60634       0.8544932 -2.145092      1.350864  
1 1 1 12  26 6  o 107.6973 1.603357  114.5242       3.290745  124.5315       5.680124  109.4685       4.037312  6.718521       3.206713  
1 1 1 12  26 7  f 81.84505 1.448127  67.39064       2.369915  66.69328       3.310523  68.12370       3.394174  -0.8610458     2.896254  
1 1 1 12  26 8  f 95.77454 1.369003  93.24796       2.472782  95.35180       3.048110  89.19791       4.229158  3.383942       2.738005  
1 1 1 12  26 9  o 75.57585 0.9135408 57.08319       1.377537  54.75993       1.871475  59.83032       2.035051  -3.337898      1.827082  
1 1 1 12  26 10 f 63.22906 0.8106543 40.04166       1.024821  40.99723       1.471771  39.14227       1.427859  1.462776       1.621309  
1 1 1 12  26 11 o 62.22775 0.8064873 38.80642       1.003602  38.75613       1.408233  38.85832       1.430648  -0.7996750E-01 1.612975  
1 1 1 12  26 12 o 35.22183 0.6495190 12.27245       0.4547186 10.97160       0.6046088 13.96642       0.6899464 -4.244591      1.299038  
1 1 1 12  26 13 o 33.83893 0.6524192 11.21186       0.4365730 13.49730       0.6793896 9.604343       0.5697860 5.743109       1.304838  
1 1 1 12  26 14 o 5.945243 1.341456  0.3295006      0.1828790 0.4704868      0.2764106 0.2197367      0.2438912 1.627251       2.682912  
1 1 1 12  26 15 f 48.82108 0.7163182 23.85270       0.6989995 24.91781       1.008349  22.86739       0.9698442 2.096222       1.432636  
1 1 1 12  26 16 o 63.34435 0.8231131 40.16226       1.041387  39.00351       1.428823  41.47532       1.520982  -1.940754      1.646226  
1 1 1 12  26 17 o 59.37339 0.7911381 35.32291       0.9392345 36.21012       1.345153  34.47886       1.312023  1.454285       1.582276  
1 1 1 12  26 18 o 43.13901 0.6949437 18.59390       0.5987242 19.89022       0.8730930 17.44316       0.8226083 2.831161       1.389887  
1 1 1 12  26 19 o 94.32591 1.090083  89.41256       2.056442  89.53075       2.903070  89.29349       2.913454  0.1274185      2.180166  
1 1 1 12  26 20 f 24.05682 0.6786294 5.802558       0.3262923 5.948854       0.4571114 5.650578       0.4659083 0.6208477      1.357259  
1 1 1 12  26 21 o 32.22836 0.6668407 10.34191       0.4283563 9.602134       0.5775384 11.24648       0.6386332 -2.544409      1.333681  
1 1 1 12  26 22 o 17.15688 0.7804773 2.952496       0.2661373 3.407290       0.3834911 2.529960       0.3696407 2.554920       1.560955  
1 1 1 12  26 23 o 52.01101 0.7982090 27.09106       0.8242812 26.76210       1.098260  27.51538       1.247339  -0.7032013     1.596418  
1 1 1 12  26 24 o 34.23316 0.7314215 11.71700       0.5000572 11.00347       0.6867685 12.52219       0.7295439 -2.212639      1.462843  
1 1 1 12  26 25 o 53.63832 1.357362  0.000000       0.000000  ?              ?         28.90906       1.456133  ?              ?         
1 1 1 12  26 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  26 27 f 13.64555 0.9524525 1.876653       0.2585377 1.644684       0.3639361 2.112985       0.3673428 -1.715304      1.904905  
1 1 1 12  26 28 o 22.87407 0.7788454 5.248682       0.3561777 5.448243       0.5100734 5.058776       0.4975814 0.8492184      1.557691  
1 1 1 12  26 29 o 33.41026 0.7855964 11.19861       0.5247352 11.63804       0.7518936 10.78138       0.7326556 1.278683       1.571193  
1 1 1 12  26 30 o 64.99676 1.099303  42.56763       1.428977  42.94753       2.030478  42.19482       2.011413  0.5743256      2.198606  
1 1 1 12  26 31 o 47.00851 0.8993624 22.12231       0.8436832 23.77589       1.243714  20.71273       1.148288  3.237736       1.798725  
1 1 1 12  26 32 o 6.304128 1.433329  0.3737990      0.2251056 0.8099110E-01  0.3416986 0.5983161      0.2992103 -2.478787      2.866658  
1 1 1 12  26 33 o 50.90031 0.9409962 26.05927       0.9577345 25.72383       1.337769  26.41196       1.371752  -0.6681595     1.881992  
1 1 1 12  26 34 o 37.12462 1.887664  0.000000       0.000000  ?              ?         13.96199       1.401576  ?              ?         
1 1 1 12  27 0  o 37.77716 0.6627734 14.23747       0.4998051 15.40544       0.7319826 13.21729       0.6841061 2.892677       1.325547  
1 1 1 12  27 1  o 74.34811 1.146009  55.84398       1.589259  54.54661       2.793018  56.46516       1.932629  -1.396721      2.292019  
1 1 1 12  27 2  o 32.20514 1.255381  10.35625       0.7927572 13.44659       1.176031  7.782416       1.073260  8.779718       2.510762  
1 1 1 12  27 3  o 50.05273 1.173314  25.16021       1.174305  25.88925       1.670629  24.44822       1.650982  1.436897       2.346627  
1 1 1 12  27 4  o 16.80466 0.7832258 2.856797       0.2582189 3.541223       0.3686419 2.197514       0.3618074 3.997416       1.566452  
1 1 1 12  27 5  o 97.47594 1.111249  94.77594       2.156041  101.6826       3.247466  89.33200       2.883148  6.287468       2.222497  
1 1 1 12  27 6  o 49.98957 0.7258969 24.94079       0.7239783 23.75488       0.9828573 26.34754       1.070463  -2.585548      1.451794  
1 1 1 12  27 7  o 29.66328 0.6515586 8.666952       0.3826778 10.59473       0.5814070 7.193463       0.5083058 5.727278       1.303117  
1 1 1 12  27 8  o 60.40632 0.7955575 36.47562       0.9592896 35.10476       1.308401  38.06908       1.410642  -2.443367      1.591115  
1 1 1 12  27 9  o 47.93860 0.7108045 23.02575       0.6814210 23.41201       0.9631928 22.63872       0.9641576 0.8066254      1.421609  
1 1 1 12  27 10 o 27.13669 0.6472676 7.374095       0.3511143 7.329963       0.4881385 7.421405       0.5054132 -0.1669960     1.294535  
1 1 1 12  27 11 o 82.39256 0.9754460 68.08885       1.606493  66.90633       2.227932  69.36961       2.318628  -1.482887      1.950892  
1 1 1 12  27 12 o 42.90646 0.6872179 18.25937       0.5867679 20.56912       0.8830397 16.43316       0.7851834 4.810570       1.374436  
1 1 1 12  27 13 f 54.29163 0.7572098 29.54220       0.8221384 29.54644       1.155510  29.53786       1.169984  0.9429932E-02  1.514420  
1 1 1 12  27 14 o 58.85120 0.7887532 34.45573       0.9243057 37.61722       1.388998  31.94311       1.238278  4.803661       1.577506  
1 1 1 12  27 15 o 72.44200 0.8990434 52.64638       1.302182  52.36547       1.817379  52.94275       1.866741  -0.3919601     1.798087  
1 1 1 12  27 16 o 82.23885 0.9806474 67.62540       1.608504  71.56274       2.385151  64.34103       2.178418  4.360779       1.961295  
1 1 1 12  27 17 o 31.23257 0.6686695 9.758968       0.4173091 10.34485       0.6025444 9.218882       0.5785170 1.800072       1.337339  
1 1 1 12  27 18 o 56.08547 0.7762439 31.47692       0.8697305 33.01541       1.267159  30.10659       1.195901  2.584080       1.552488  
1 1 1 12  27 19 o 59.98637 0.8116333 36.02885       0.9723842 34.81775       1.333087  37.40588       1.421484  -2.144794      1.623267  
1 1 1 12  27 20 o 50.75343 0.7549179 25.80821       0.7656527 25.27916       1.057365  26.39141       1.110156  -1.088718      1.509836  
1 1 1 12  27 21 o 11.85849 0.9796262 1.409729       0.2312383 1.610199       0.3356297 1.228585       0.3190413 1.606170       1.959252  
1 1 1 12  27 22 f 37.64424 1.666859  15.06716       0.8350132 13.44204       2.266336  15.32242       0.8982009 -2.866798      3.333718  
1 1 1 12  27 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 12  27 24 o 20.79483 0.7943921 4.340359       0.3302790 4.372896       0.4622938 4.306438       0.4720284 0.1613331      1.588784  
1 1 1 12  27 25 o 15.05674 0.9151242 2.278929       0.2739624 2.613801       0.3939189 1.965213       0.3812733 2.151455       1.830248  
1 1 1 12  27 26 o 24.41357 0.7715200 5.961460       0.3760218 5.533852       0.5152225 6.448802       0.5500332 -1.867872      1.543040  
1 1 1 12  27 27 o 12.97999 1.004385  1.687932       0.2581371 2.042517       0.3787474 1.380341       0.3527585 2.545052       2.008770  
1 1 1 12  27 28 o 16.98063 0.8607413 2.893387       0.2921278 3.022613       0.4218860 2.774357       0.4048997 0.7276764      1.721483  
1 1 1 12  27 29 o 13.06569 1.019678  1.701643       0.2646858 2.003403       0.3953857 1.456592       0.3563023 2.082996       2.039356  
1 1 1 12  27 30 o 42.67445 0.8559323 18.22752       0.7289282 19.61336       1.074066  17.04422       0.9924814 2.992550       1.711865  
1 1 1 12  27 31 o 43.84711 0.8763373 19.32793       0.7682490 19.33743       1.073092  19.31795       1.100357  0.2804184E-01  1.752675  
1 1 1 12  27 32 o 36.83197 1.875537  0.000000       0.000000  ?              ?         13.74053       1.381594  ?              ?         
1 1 1 12  28 0  o 98.54189 1.122759  97.49881       2.211841  95.92129       3.074823  99.19041       3.184068  -1.643021      2.245518  
1 1 1 12  28 1  o 56.59383 0.7700357 31.82226       0.8666532 29.63761       1.153203  34.65725       1.313684  -4.418774      1.540071  
1 1 1 12  28 2  o 75.86644 0.9180471 57.67057       1.391662  56.29694       1.918657  59.19554       2.021589  -1.897942      1.836094  
1 1 1 12  28 3  o 62.88502 0.8155676 39.39692       1.021360  37.11464       1.369523  42.25706       1.533126  -4.071030      1.631135  
1 1 1 12  28 4  o 26.99314 0.6636195 7.277071       0.3577192 6.894140       0.4899225 7.714341       0.5235310 -1.516281      1.327239  
1 1 1 12  28 5  o 54.15064 0.7570438 29.34269       0.8186518 28.62615       1.122024  30.15835       1.197118  -1.407066      1.514088  
1 1 1 12  28 6  o 31.54408 0.6582056 9.851504       0.4128112 8.689527       0.5515308 11.33174       0.6224962 -4.181784      1.316411  
1 1 1 12  28 7  o 32.69119 0.6553844 10.69720       0.4282945 10.47091       0.5944322 10.94151       0.6176338 -0.7176743     1.310769  
1 1 1 12  28 8  o 20.08842 0.6989552 4.017093       0.2772925 4.984951       0.4098081 3.199755       0.3765955 4.440149       1.397910  
1 1 1 12  28 9  o 7.099753 1.331219  0.5240445      0.1931704 0.6020733      0.2764103 0.4495549      0.2700685 0.9651709      2.662438  
1 1 1 12  28 10 o 67.79578 0.8573098 46.06225       1.161936  47.56917       1.672749  44.65722       1.615211  2.140411       1.714620  
1 1 1 12  28 11 o 51.31154 0.7409273 26.32152       0.7592106 25.20452       1.039259  27.59985       1.111778  -2.326244      1.481855  
1 1 1 12  28 12 f 47.11068 0.7180718 22.23141       0.6761785 21.94865       0.9378659 22.53749       0.9757822 -0.6209221     1.436144  
1 1 1 12  28 13 o 40.99167 0.6878095 16.63976       0.5605596 18.97221       0.8481490 14.83066       0.7469593 5.040989       1.375619  
1 1 1 12  28 14 o 96.28845 1.109364  93.17370       2.135091  91.46192       2.958682  95.03376       3.084175  -1.832138      2.218729  
1 1 1 12  28 15 o 67.66159 0.8633507 45.88799       1.167448  47.44740       1.691342  44.46890       1.613453  2.189522       1.726701  
1 1 1 12  28 16 o 45.87534 0.7186778 21.08702       0.6591970 21.71168       0.9454146 20.49599       0.9196115 1.321739       1.437356  
1 1 1 12  28 17 o 88.97281 1.046889  79.39500       1.859806  82.96889       2.727697  76.29018       2.542394  3.719017       2.093777  
1 1 1 12  28 18 o 17.80291 0.7773126 3.181728       0.2760157 3.482687       0.3931420 2.889184       0.3876073 1.666111       1.554625  
1 1 1 12  28 19 o 14.70955 1.834146  2.366892       0.3473974 2.075289       0.9624092 2.410579       0.3725127 -1.575298      3.668291  
1 1 1 12  28 20 o 17.26367 4.756933  3.265837       1.694123  3.265837       1.694123  ?              ?         ?              ?         
1 1 1 12  28 21 o 38.74056 0.8154185 15.01516       0.6305494 14.30577       0.8593276 15.84265       0.9281011 -1.972424      1.630837  
1 1 1 12  28 22 o 28.05227 0.7668037 7.860955       0.4292519 7.336564       0.5843749 8.475461       0.6325965 -2.022484      1.533607  
1 1 1 12  28 23 o 22.82474 0.7802751 5.229262       0.3561534 5.332476       0.5050258 5.127144       0.5023390 0.4493408      1.560550  
1 1 1 12  28 24 o 52.70391 0.9503492 27.76802       0.9976758 26.18280       1.339424  29.74356       1.495257  -3.345177      1.900698  
1 1 1 12  28 25 o 23.19239 0.7843741 5.399418       0.3637688 5.384149       0.5094570 5.415301       0.5195860 -0.6539154E-01 1.568748  
1 1 1 12  28 26 o 51.64518 0.9390814 26.59420       0.9645200 24.74204       1.283575  28.99645       1.461815  -4.079979      1.878163  
1 1 1 12  28 27 o 56.79538 1.001679  32.45914       1.137077  31.84340       1.574551  33.13024       1.643823  -1.115707      2.003357  
1 1 1 12  28 28 o 51.51951 0.9436042 26.68463       0.9716107 26.08971       1.344232  27.33546       1.405977  -1.194511      1.887208  
1 1 1 12  28 29 o 12.21758 1.088176  1.523836       0.2624536 1.295155       0.3810457 1.730246       0.3620159 -1.785635      2.176351  
1 1 1 12  29 0  o 88.65435 1.246954  77.35719       2.055596  74.54854       2.465228  83.76579       3.723825  -4.978470      2.493908  
1 1 1 12  29 1  f 27.67930 0.7823012 7.674308       0.4328661 8.004423       0.6213803 7.363073       0.6033481 1.156519       1.564602  
1 1 1 12  29 2  f 29.04846 0.7791552 8.250599       0.4468758 6.838766       0.5836226 10.25135       0.6947629 -5.861450      1.558310  
1 1 1 12  29 3  o 34.50305 0.7919595 11.90533       0.5457363 12.78665       0.7932562 11.11335       0.7519728 2.420097       1.583919  
1 1 1 12  29 4  o 35.20054 0.6786560 12.36162       0.4767596 11.45814       0.6506845 13.40890       0.7005540 -2.765987      1.357312  
1 1 1 12  29 5  o 65.09216 0.8408758 42.48503       1.094466  42.07311       1.529657  42.91710       1.566622  -0.6437454     1.681752  
1 1 1 12  29 6  o 119.4622 1.329635  143.7368       3.176246  142.3299       4.441738  145.2091       4.543780  -1.185043      2.659271  
1 1 1 12  29 7  o 38.25962 0.6757494 14.60893       0.5159383 15.99233       0.7551691 13.39792       0.7065490 3.385582       1.351499  
1 1 1 12  29 8  o 36.75307 0.6730210 13.53383       0.4946687 13.46332       0.6942748 13.60654       0.7049823 -0.1937141     1.346042  
1 1 1 12  29 9  o 30.79763 0.6631621 9.492024       0.4075203 10.43286       0.5873152 8.618483       0.5659214 2.943342       1.326324  
1 1 1 12  29 10 f 58.05456 0.7921852 33.77670       0.9191915 33.08708       1.272424  34.52935       1.329307  -1.234550      1.584370  
1 1 1 12  29 11 o 23.82094 0.6769757 5.686221       0.3224970 5.601387       0.4527416 5.773604       0.4594927 -0.3606853     1.353951  
1 1 1 12  29 12 o 60.46909 0.8122803 36.66936       0.9819232 36.18307       1.365016  37.19084       1.413554  -0.8263474     1.624561  
1 1 1 12  29 13 o 54.32962 0.7714679 29.59777       0.8380848 29.29550       1.170707  29.91552       1.200309  -0.5665817     1.542936  
1 1 1 12  29 14 o 53.26998 0.8134469 28.04659       0.8520787 26.30562       1.094673  30.72305       1.357278  -4.108410      1.626894  
1 1 1 12  29 15 o 50.39127 0.8696996 25.32195       0.8685352 26.69992       1.334903  24.31041       1.143727  2.340946       1.739399  
1 1 1 12  29 16 o 27.79521 2.280084  7.832133       1.267509  7.832133       1.267509  ?              ?         ?              ?         
1 1 1 12  29 17 o 7.118043 2.178780  0.5148194      0.3391759 0.5148194      0.3391759 ?              ?         ?              ?         
1 1 1 12  29 18 o 70.03473 1.156295  49.34216       1.617941  51.04613       2.354327  47.81726       2.227191  2.275887       2.312589  
1 1 1 12  29 19 o 18.82989 0.8444117 3.547606       0.3148943 2.907421       0.4312543 4.278755       0.4608755 -3.636311      1.688823  
1 1 1 12  29 20 o 20.69469 0.8046575 4.300385       0.3327303 4.059613       0.4676744 4.547177       0.4734828 -1.176968      1.609315  
1 1 1 12  29 21 o 11.20019 1.212442  1.342930       0.2511979 0.8777199      0.3630635 1.770130       0.3479155 -4.137317      2.424884  
1 1 1 12  29 22 o 23.08371 0.7661889 5.348336       0.3537184 5.326702       0.5015792 5.369739       0.4988985 -0.9367561E-01 1.532378  
1 1 1 12  29 23 o 20.33960 0.8042374 4.086030       0.3231280 5.117744       0.4898230 3.291115       0.4299522 4.479315       1.608475  
1 1 1 12  29 24 o 21.03838 0.7942640 4.434100       0.3337810 4.708434       0.4862441 4.189638       0.4590076 1.227737       1.588528  
1 1 1 12  29 25 o 30.90637 0.7828715 9.536890       0.4823526 8.609961       0.6556014 10.63080       0.7122082 -3.258112      1.565743  
1 1 1 12  29 26 o 52.89507 0.9618608 28.11133       1.016416  27.22749       1.397725  29.10325       1.480721  -1.753624      1.923722  
1 1 1 12  29 27 o 56.75749 1.006401  32.37182       1.140582  31.16890       1.560098  33.75305       1.671736  -2.248009      2.012803  
1 1 1 12  30 0  o 41.63368 0.6921137 17.37063       0.5762454 17.72136       0.8181430 17.02534       0.8117626 0.8351707      1.384227  
1 1 1 12  30 1  o 15.71903 0.8479201 2.464603       0.2654487 2.171735       0.3616132 2.806826       0.3908970 -2.016060      1.695840  
1 1 1 12  30 2  o 75.17880 0.9199753 56.65128       1.381950  58.91828       2.008378  54.61271       1.904503  2.847557       1.839951  
1 1 1 12  30 3  o 31.14038 0.6700988 9.717231       0.4169663 10.28277       0.5944783 9.169588       0.5849948 1.786282       1.340198  
1 1 1 12  30 4  o 90.04792 1.056275  81.42522       1.900920  84.28049       2.753349  78.82469       2.627668  3.006378       2.112550  
1 1 1 12  30 5  f 39.27213 0.7640646 15.34641       0.5879319 14.88803       0.7537590 16.05856       0.9395190 -1.465473      1.528129  
1 1 1 12  30 6  o 73.13380 1.197020  53.86569       1.750789  53.70804       2.464074  54.02642       2.488081  -0.2126160     2.394040  
1 1 1 12  30 7  o 50.30205 0.9179186 25.37808       0.9226903 24.68327       1.273516  26.14582       1.338684  -1.443230      1.835837  
1 1 1 12  30 8  o 29.48661 0.7281975 8.742875       0.4276437 7.832832       0.6053535 9.649472       0.6042070 -3.080597      1.456395  
1 1 1 12  30 9  o 16.89382 0.7728726 2.863628       0.2607432 2.665164       0.3665230 3.066982       0.3710111 -1.188631      1.545745  
1 1 1 12  30 10 o 31.33356 0.6976787 9.848707       0.4366382 9.981107       0.6045547 9.704327       0.6313136 0.4450245      1.395357  
1 1 1 12  30 11 o 8.525641 1.956442  0.7074590      0.2808423 0.3924811      0.9153404 0.7401913      0.2950742 0.2383804      3.912885  
1 1 1 12  30 12 o 59.53304 1.904501  35.78851       2.267615  35.78851       2.267615  ?              ?         ?              ?         
1 1 1 12  30 13 o 29.97247 1.032033  9.010112       0.6186514 9.010112       0.6186514 ?              ?         ?              ?         
1 1 1 12  30 14 o 23.06774 0.7750043 5.337894       0.3573065 5.374165       0.5157202 5.304412       0.4955013 0.1480675      1.550009  
1 1 1 12  30 15 o 26.72488 0.7660559 7.139435       0.4081253 6.374954       0.5602777 8.003643       0.5957024 -3.041645      1.532112  
1 1 1 12  30 16 o 35.60147 0.7892531 12.72250       0.5619649 12.64415       0.7927652 12.80163       0.7967265 -0.2204971     1.578506  
1 1 1 12  30 17 o 41.93256 0.8386969 17.65880       0.7033172 17.93615       1.001783  17.38923       0.9876487 0.6494942      1.677394  
1 1 1 12  30 18 o 18.34098 0.8286412 3.371479       0.3035164 3.638697       0.4393704 3.127567       0.4197739 1.389832       1.657282  
1 1 1 12  30 19 f 63.32804 1.073135  40.28796       1.356432  38.78114       1.848427  42.04626       1.996713  -2.542290      2.146269  
1 1 1 12  30 20 o 24.49662 0.7705989 5.996293       0.3763637 6.702345       0.5518081 5.382129       0.5146500 2.688063       1.541198  
1 1 1 12  30 21 o 42.23057 0.8448001 17.90581       0.7131547 17.43631       0.9891670 18.41401       1.029126  -1.149357      1.689600  
1 1 1 12  30 22 o 39.46633 0.8246955 15.58069       0.6494391 16.77912       0.9584212 14.56326       0.8830881 2.791599       1.649391  
1 1 1 12  30 23 o 42.76038 0.8527387 18.37544       0.7292445 18.26321       1.026217  18.48993       1.036474  -0.2629700     1.705477  
1 1 1 12  30 24 o 17.98450 0.8522359 3.251098       0.3065026 3.184473       0.4325145 3.318309       0.4344119 -0.3716831     1.704472  
1 1 1 12  31 0  f 74.26193 0.9204419 55.36710       1.366657  54.77468       1.905341  55.99486       1.961367  -0.8123779     1.840884  
1 1 1 12  31 1  o 12.90509 1.023856  1.674690       0.2637503 1.541949       0.3699543 1.811894       0.3761208 -1.044765      2.047712  
1 1 1 12  31 2  o 63.41058 0.8392926 40.35263       1.064375  40.73795       1.507851  39.96996       1.502670  0.6047897      1.678585  
1 1 1 12  31 3  o 63.26814 0.8381114 40.14325       1.059965  39.28956       1.470480  41.06659       1.529283  -1.395405      1.676223  
1 1 1 12  31 4  o 57.35894 0.8516444 32.92522       0.9637514 32.43145       1.258920  33.62427       1.497927  -1.002327      1.703289  
1 1 1 12  31 5  o 52.99228 0.8141649 28.05990       0.8521926 27.43840       1.114862  28.93345       1.321740  -1.379021      1.628330  
1 1 1 12  31 6  o 44.28487 0.7599359 19.63751       0.6666237 19.42113       0.8814474 19.92664       1.018921  -0.5507126     1.519872  
1 1 1 12  31 7  o 21.04345 1.564265  4.160357       0.6306913 5.734754       1.103139  3.395841       0.7687177 5.454243       3.128529  
1 1 1 12  31 8  o 33.07954 2.206273  11.44333       1.411814  12.17031       1.819255  10.34265       2.238545  2.943169       4.412547  
1 1 1 12  31 9  o 40.59527 0.9594046 16.58035       0.7168283 16.60379       0.8600150 16.52701       1.297405  0.1766586      1.918809  
1 1 1 12  31 10 o 27.81278 0.7611200 7.739722       0.4227881 7.279092       0.5808400 8.258791       0.6165850 -1.755722      1.522240  
1 1 1 12  31 11 o 52.67033 0.9430286 27.88226       0.9932451 28.31673       1.419700  27.46572       1.390089  0.8019447      1.886057  
1 1 1 12  31 12 o 6.567966 1.396665  0.3857870      0.2156285 0.7101861      0.3240368 0.1279737      0.2888731 3.290798       2.793330  
1 1 1 12  31 13 o 26.33854 0.7565370 6.962333       0.3984390 6.777181       0.5617934 7.149722       0.5651774 -0.7066460     1.513074  
1 1 1 12  31 14 o 32.30494 0.7761014 10.41223       0.4999267 11.42612       0.7411258 9.565705       0.6771976 2.868536       1.552203  
1 1 1 12  31 15 o 58.49987 1.012273  34.44184       1.184308  34.72684       1.684237  34.16309       1.665645  0.4776268      2.024545  
1 1 1 12  31 16 o 33.11847 0.7756318 10.93893       0.5120552 9.963294       0.6930524 12.11173       0.7598605 -3.231634      1.551264  
1 1 1 12  31 17 o 33.03427 0.7738741 10.92542       0.5104086 11.48822       0.7491990 10.43797       0.6972510 1.580029       1.547748  
1 1 1 12  31 18 o 21.04825 0.7872717 4.458836       0.3307278 4.215556       0.4737207 4.690168       0.4619411 -1.129759      1.574543  
1 1 1 12  31 19 o 8.143151 1.043188  0.6339006      0.2385832 -0.5793591     0.3523486 1.661173       0.3242190 -9.418929      2.086377  
1 1 1 12  31 20 o 22.07323 0.8020834 4.889604       0.3523855 4.264317       0.4887488 5.566548       0.5085366 -2.945940      1.604167  
1 1 1 12  31 21 o 43.71362 0.8614976 19.17374       0.7524397 20.07959       1.093810  18.36000       1.036706  1.954445       1.722995  
1 1 1 12  32 0  o 14.71280 0.9451283 2.178526       0.2769633 2.431389       0.3949889 1.933949       0.3884631 1.689269       1.890257  
1 1 1 12  32 1  f 12.19485 1.971784  1.857843       0.3601413 0.9421020      0.9717669 2.003644       0.3877530 -3.844569      3.943568  
1 1 1 12  32 2  o 46.95964 1.723891  21.89020       1.413963  21.33838       1.631491  23.55552       2.834251  -1.948521      3.447783  
1 1 1 12  32 3  o 18.53129 3.035858  3.638755       0.9154902 3.628728       1.013431  3.683239       2.134565  0.6370049      6.071715  
1 1 1 12  32 4  o 41.69854 0.8003789 17.17089       0.6480407 16.33344       0.8145536 18.61497       1.069636  -2.692131      1.600758  
1 1 1 12  32 5  o 72.74005 1.116090  52.91098       1.589493  51.38276       2.035493  55.29913       2.544530  -2.567268      2.232179  
1 1 1 12  32 6  o 21.63100 0.7808223 4.629476       0.3353303 4.105013       0.4435728 5.328962       0.5122680 -2.817158      1.561645  
1 1 1 12  32 7  o 28.10108 0.7770786 7.924296       0.4365864 7.838105       0.6082411 8.015899       0.6270407 -0.3130894     1.554157  
1 1 1 12  32 8  o 24.07262 0.7840125 5.816370       0.3774395 5.735290       0.5303835 5.899560       0.5372429 -0.3400135     1.568025  
1 1 1 12  32 9  o 41.96194 0.8459792 17.68719       0.7099459 17.72583       0.9998583 17.64790       1.008224  0.9442520E-01  1.691958  
1 1 1 12  32 10 o 57.65137 1.007620  33.30683       1.158346  31.67817       1.566223  35.27327       1.720989  -3.082905      2.015239  
1 1 1 12  32 11 o 27.66980 0.7607014 7.679920       0.4208308 7.909626       0.6042315 7.463531       0.5864558 0.8030014      1.521403  
1 1 1 12  32 12 o 41.22922 0.8328504 17.01514       0.6852814 16.15799       0.9324890 18.02166       1.010470  -2.244823      1.665701  
1 1 1 12  32 13 o 25.92472 0.7653023 6.704646       0.3955126 7.354399       0.5880646 6.167970       0.5344501 2.278183       1.530605  
1 1 1 12  32 14 o 43.86888 0.8598226 19.34458       0.7543421 19.49431       1.074116  19.19886       1.059633  0.3335991      1.719645  
1 1 1 12  32 15 o 25.06250 0.7757248 6.309156       0.3878140 5.722225       0.5426537 6.921860       0.5544400 -2.391016      1.551450  
1 1 1 12  32 16 o 18.47295 0.8403721 3.409302       0.3094499 3.675340       0.4612113 3.191480       0.4173282 1.300648       1.680744  
1 1 1 12  32 17 o 25.33529 0.7807693 6.444386       0.3955280 6.642622       0.5644872 6.253191       0.5543719 0.7665787      1.561539  
1 1 1 12  33 0  f 41.76040 0.8280255 17.45305       0.6851315 17.07937       0.9046672 17.95563       1.049154  -1.022530      1.656051  
1 1 1 12  33 1  o 43.81218 0.8437516 19.31982       0.7355146 19.68519       0.9963917 18.88235       1.090288  0.9339676      1.687503  
1 1 1 12  33 2  o 66.02065 1.050487  43.29391       1.351712  41.35097       1.711097  46.51905       2.204547  -3.796844      2.100973  
1 1 1 12  33 3  o 24.96578 0.8269207 6.260490       0.4128631 6.362985       0.5850410 6.158808       0.5827191 0.4084740      1.653841  
1 1 1 12  33 4  o 25.23986 0.8076887 6.397384       0.4077038 6.321172       0.5744484 6.474738       0.5787359 -0.3034115     1.615377  
1 1 1 12  33 5  o 18.94770 0.8681976 3.583625       0.3262306 2.978641       0.4434045 4.297591       0.4816895 -3.472734      1.736395  
1 1 1 12  33 6  f 14.58195 0.9758893 2.141507       0.2843305 2.248149       0.4018869 2.034634       0.4023215 0.7322254      1.951779  
1 1 1 12  33 7  o 36.33894 0.8082848 13.18156       0.5855089 12.20386       0.7903155 14.37106       0.8717272 -2.965710      1.616570  
1 1 1 12  33 8  o 34.17383 0.7903770 11.72386       0.5400504 11.43249       0.7531494 12.03222       0.7748043 -0.8731575     1.580754  
1 1 1 12  33 9  o 40.42334 0.8324900 16.42048       0.6730273 16.50892       0.9554688 16.33338       0.9481817 0.2155914      1.664980  
1 1 1 12  33 10 o 52.16761 0.9426070 27.36889       0.9831351 26.85653       1.368678  27.91505       1.413113  -1.004211      1.885214  
1 1 1 12  33 11 o 27.54282 0.7723350 7.620881       0.4249156 7.150922       0.5985743 8.098285       0.6032962 -1.718908      1.544670  
1 1 1 12  33 12 o 23.53592 0.7821112 5.539332       0.3673247 5.940047       0.5419009 5.198704       0.4996220 1.566708       1.564222  
1 1 1 12  33 13 o 42.03670 1.195291  0.000000       0.000000  ?              ?         17.76240       1.004922  ?              ?         
1 1 1 12  34 0  o 40.56280 0.8639291 16.52773       0.7006087 17.00115       1.007416  16.08430       0.9749997 1.123219       1.727858  
1 1 1 12  34 1  o 28.90092 0.8219175 8.289311       0.4720476 7.227108       0.6305615 9.643535       0.7119818 -4.164085      1.643835  
1 1 1 12  34 2  o 10.93278 1.338587  1.236117       0.2817738 1.544804       0.4065590 0.9507797      0.3908800 2.877307       2.677174  
1 1 1 12  34 3  o 55.56590 0.9972579 30.82524       1.102265  28.68570       1.468431  33.58686       1.668306  -4.361553      1.994516  
1 1 1 12  34 4  o 45.56311 0.8886809 20.76984       0.8075572 19.50040       1.093275  22.29417       1.198015  -3.042961      1.777362  
1 1 1 12  34 5  o 11.22075 1.192113  1.276053       0.2665005 1.203838       0.3869015 1.341248       0.3676149 -0.6180115     2.384225  
1 1 1 12  34 6  o 19.80026 0.9205045 4.003553       0.3544784 2.913174       0.4973370 5.129467       0.5053760 -5.594799      1.841009  
1 1 1 12  34 7  o 15.60552 2.460285  0.000000       0.000000  ?              ?         2.489337       0.7678807 ?              ?         
1 1 1 13  0  0  o 302.0986 4.452651  914.2221       26.86681  901.2312       37.39317  928.0848       38.62772  -0.000000      0.000000  
1 1 1 13  0  1  o 101.0195 1.556836  102.2059       3.142091  102.2847       4.445555  102.1272       4.441623  -0.000000      0.000000  
1 1 1 13  0  2  o 18.44571 0.8061279 3.440356       0.2949724 3.397784       0.4116742 3.485273       0.4228587 -0.000000      0.000000  
1 1 1 13  0  3  o 282.8422 4.170078  801.6489       23.56434  795.5618       33.05063  807.9423       33.60635  -0.000000      0.000000  
1 1 1 13  0  4  o 36.74759 0.8128801 13.44716       0.5939926 14.89934       0.8843141 12.25334       0.8017994 -0.000000      0.000000  
1 1 1 13  0  5  o 126.6311 1.918276  160.4237       4.849039  164.8409       7.038247  156.4326       6.690142  -0.000000      0.000000  
1 1 1 13  0  6  o 72.61647 1.197922  52.72810       1.735996  55.03365       2.523379  50.65635       2.392023  -0.000000      0.000000  
1 1 1 13  0  7  o 455.0955 6.698817  2080.003       60.91059  2090.307       86.61733  2069.923       85.67162  -0.000000      0.000000  
1 1 1 13  0  8  o 365.5446 5.383994  1340.299       39.31104  1322.711       54.77007  1358.987       56.45669  -0.000000      0.000000  
1 1 1 13  0  9  o 318.2853 4.692189  1015.958       29.83599  1025.647       42.62453  1006.651       41.77713  -0.000000      0.000000  
1 1 1 13  0  10 o 204.8442 4.312320  419.7325       17.57240  402.5457       23.70990  440.6785       26.17477  -0.000000      0.000000  
1 1 1 13  0  11 o 124.7680 1.893960  155.9340       4.721164  155.1661       6.650506  156.7141       6.703276  -0.000000      0.000000  
1 1 1 13  0  12 o 218.5064 3.239721  478.4648       14.14051  472.3597       19.73120  484.9111       20.27530  -0.000000      0.000000  
1 1 1 13  0  13 o 70.07759 1.156659  49.10106       1.617017  50.99176       2.361944  47.43317       2.218414  -0.000000      0.000000  
1 1 1 13  0  14 o 344.4503 5.079000  1191.338       34.95329  1184.299       49.11178  1198.562       49.75737  -0.000000      0.000000  
1 1 1 13  0  15 o 34.18078 0.8116473 11.68899       0.5526589 10.99824       0.7581673 12.47218       0.8072997 -0.000000      0.000000  
1 1 1 13  0  16 f 57.33340 1.008861  32.93526       1.155205  33.05161       1.641199  32.82101       1.626315  -0.000000      0.000000  
1 1 1 13  0  17 o 176.1595 2.629181  310.4265       9.239488  301.2061       12.65003  320.9698       13.52725  -0.000000      0.000000  
1 1 1 13  0  18 o 97.92427 1.534464  92.48212       2.912988  110.7986       4.885429  82.37776       3.628575  -0.000000      0.000000  
1 1 1 13  0  19 o 32.53592 1.205762  10.68506       0.7789178 10.89279       1.079773  10.45968       1.124714  -0.000000      0.000000  
1 1 1 13  0  20 o 94.62316 1.482771  89.69821       2.802990  89.63751       3.972960  89.75836       3.955153  -0.000000      0.000000  
1 1 1 13  0  21 o 260.5416 3.855524  681.3494       20.06952  676.9139       28.18564  685.9109       28.58372  -0.000000      0.000000  
1 1 1 13  0  22 f 14.86354 1.279690  2.200875       0.3403031 3.347989       0.5433280 1.460387       0.4365337 -0.000000      0.000000  
1 1 1 13  0  23 o 92.32658 2.065864  85.41020       3.810436  85.41020       3.810436  85.41020       3.810436  -0.000000      0.000000  
1 1 1 13  0  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  0  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  0  26 o 226.7307 3.372620  516.4767       15.27257  508.7208       21.24862  524.7656       21.96663  -0.000000      0.000000  
1 1 1 13  0  27 o 211.7364 3.156583  450.4666       13.34760  458.0312       19.23493  443.4410       18.53711  -0.000000      0.000000  
1 1 1 13  0  28 o 10.54853 1.748753  1.266623       0.3185678 1.429545       0.4834324 1.141573       0.4235324 -0.000000      0.000000  
1 1 1 13  0  29 o 166.9928 2.509856  280.0678       8.372519  282.9491       11.98082  277.3176       11.70506  -0.000000      0.000000  
1 1 1 13  0  30 o 4.821280 1.948284  0.2980980      0.2878752 0.3632485      0.4458455 0.2515157      0.3769950 -0.000000      0.000000  
1 1 1 13  0  31 o 13.90769 1.191077  1.981931       0.3278106 1.993545       0.4983220 1.973072       0.4352428 -0.000000      0.000000  
1 1 1 13  0  32 o 39.60755 0.8931877 15.74114       0.7054214 15.82398       1.018842  15.66487       0.9776641 -0.000000      0.000000  
1 1 1 13  0  33 o 154.9747 2.343974  241.4983       7.257245  242.7717       10.33360  240.2590       10.19440  -0.000000      0.000000  
1 1 1 13  0  34 o 26.87934 0.9211644 7.281253       0.4895895 7.277885       0.7345289 7.283947       0.6567498 -0.000000      0.000000  
1 1 1 13  0  35 o 59.83976 1.073542  35.77372       1.278659  37.59990       1.904200  34.27412       1.725561  -0.000000      0.000000  
1 1 1 13  0  36 o 91.55827 1.465968  83.95935       2.676190  86.94071       3.933059  81.38892       3.651962  -0.000000      0.000000  
1 1 1 13  0  37 o 6.554410 2.179017  0.5834072      0.3312609 0.8970014      0.5167399 0.3646221      0.4316152 -0.000000      0.000000  
1 1 1 13  0  38 o 11.78389 1.739948  1.539383       0.3564075 1.673547       0.5607886 1.448470       0.4616306 -0.000000      0.000000  
1 1 1 13  0  39 o 62.54124 1.122412  39.26031       1.401208  39.31070       2.014854  39.21312       1.949955  -0.000000      0.000000  
1 1 1 13  0  40 o 60.31379 1.105637  36.48906       1.329982  37.09820       1.937513  35.94626       1.828936  -0.000000      0.000000  
1 1 1 13  0  41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  0  42 o 73.72118 1.265807  54.59196       1.862732  55.02591       2.686699  54.19030       2.584853  -0.000000      0.000000  
1 1 1 13  0  43 o 11.36650 2.053956  1.556377       0.3932533 1.400016       0.6345482 1.653880       0.5010813 -0.000000      0.000000  
1 1 1 13  0  44 o 22.09433 1.785906  4.992383       0.7791156 4.992383       0.7791156 4.992383       0.7791156 -0.000000      0.000000  
1 1 1 13  0  45 o 44.83114 1.910450  20.29078       1.706238  20.29078       1.706238  20.29078       1.706238  -0.000000      0.000000  
1 1 1 13  0  46 f 8.065671 2.443424  0.8604038      0.4038741 1.301380       0.6672338 0.6054128      0.5073794 -0.000000      0.000000  
1 1 1 13  0  47 o 39.99253 1.024932  16.14291       0.8150530 14.97677       1.164360  17.26332       1.141304  -0.000000      0.000000  
1 1 1 13  0  48 f 15.22119 1.613150  2.372457       0.4589324 2.724922       0.7481259 2.159791       0.5811188 -0.000000      0.000000  
1 1 1 13  0  49 o 4.750685 2.125786  -0.6086114E-01 0.4160222 0.4944404      0.6945934 -0.3715042     0.5195138 -0.000000      0.000000  
1 1 1 13  0  50 o 12.41489 2.201288  1.709096       0.4595749 2.336786       0.7799023 1.375189       0.5688271 -0.000000      0.000000  
1 1 1 13  0  51 o 33.26092 1.100203  11.06856       0.7198213 11.88284       1.122191  10.49930       0.9382802 -0.000000      0.000000  
1 1 1 13  0  52 f 23.01417 1.310829  5.525428       0.5804430 4.920075       0.8939753 5.966617       0.7631916 -0.000000      0.000000  
1 1 1 13  1  0  o 281.8219 2.932842  793.8372       16.51300  774.6241       22.73116  815.3063       24.02866  -7.205933      5.865684  
1 1 1 13  1  1  o 158.8492 1.675719  251.8925       5.314624  244.3298       7.266319  260.5919       7.793356  -5.115860      3.351437  
1 1 1 13  1  2  o 193.7860 2.031346  375.3532       7.866879  367.8654       10.87422  383.5753       11.39493  -4.049850      4.062692  
1 1 1 13  1  3  f 107.0043 1.157537  114.3404       2.474214  111.1868       3.399590  117.8920       3.607819  -3.132278      2.315073  
1 1 1 13  1  4  f 198.7529 2.080908  395.2080       8.271627  396.3301       11.73259  394.0991       11.66341  0.5606995      4.161815  
1 1 1 13  1  5  o 230.6874 2.407461  531.5646       11.09011  516.3182       15.18538  548.9908       16.23471  -7.071075      4.814921  
1 1 1 13  1  6  o 314.9868 3.274389  993.4324       20.62630  1000.085       29.38167  986.9681       28.96282  2.076019       6.548778  
1 1 1 13  1  7  o 258.3559 2.692428  667.8365       13.90650  658.0805       19.34237  678.2757       20.00803  -3.899719      5.384856  
1 1 1 13  1  8  o 111.0334 1.693320  122.9197       3.750005  118.0573       5.082253  128.7307       5.555967  -4.802231      3.386640  
1 1 1 13  1  9  o 323.3963 3.362835  1047.123       21.73965  1029.758       30.17858  1065.854       31.34351  -5.558838      6.725671  
1 1 1 13  1  10 o 169.6368 1.787431  287.8960       6.063753  285.7487       8.508358  290.1124       8.644137  -1.284653      3.574861  
1 1 1 13  1  11 o 140.2317 1.489643  196.7274       4.177790  195.8949       5.882088  197.5749       5.934840  -0.5984344     2.979287  
1 1 1 13  1  12 o 378.4442 4.556461  1435.065       34.40848  1488.690       50.73726  1389.400       46.82031  12.98212       9.112922  
1 1 1 13  1  13 o 257.0968 2.681891  662.0136       13.78908  666.7236       19.64561  657.4399       19.35894  1.799286       5.363781  
1 1 1 13  1  14 o 72.89977 0.8411709 52.46487       1.215034  48.42250       1.592145  58.10218       1.880186  -6.637131      1.682342  
1 1 1 13  1  15 o 66.16782 0.7816640 43.68538       1.032704  42.10581       1.411904  45.50262       1.514407  -2.566185      1.563328  
1 1 1 13  1  16 o 195.1773 2.047910  380.9971       7.988256  389.5088       11.56523  373.2314       11.04679  4.160858       4.095820  
1 1 1 13  1  17 o 159.8518 1.692582  255.5024       5.407552  261.1447       7.822816  250.3392       7.483340  3.374649       3.385163  
1 1 1 13  1  18 f 136.2819 1.457772  184.7084       3.953158  196.5728       5.961556  175.3971       5.281275  7.759628       2.915544  
1 1 1 13  1  19 o 234.6056 2.453142  550.3205       11.49160  568.8586       16.83700  534.1537       15.72326  7.368103       4.906284  
1 1 1 13  1  20 o 49.29985 0.6644576 24.30770       0.6551381 24.07696       0.9245938 24.54037       0.9284286 -0.4699669     1.328915  
1 1 1 13  1  21 o 107.4710 1.464388  110.7994       2.810185  126.2269       5.524005  105.4128       3.264125  9.644516       2.928776  
1 1 1 13  1  22 o 78.11593 1.270811  61.05609       1.985352  60.43042       2.797055  61.69140       2.818492  -0.8067474     2.541621  
1 1 1 13  1  23 o 182.3109 2.483074  333.0046       8.858360  331.9315       11.39658  334.6425       14.07984  -0.6391449     4.966149  
1 1 1 13  1  24 f 62.80515 0.7683629 39.36551       0.9637171 41.08839       1.410552  37.85723       1.319776  2.571156       1.536726  
1 1 1 13  1  25 o 135.8383 1.786714  184.3008       4.554805  183.2290       5.545388  186.5234       7.985302  -1.121948      3.573429  
1 1 1 13  1  26 o 162.8015 2.444372  265.7621       7.949748  259.2230       10.93338  273.0973       11.57973  -4.223328      4.888744  
1 1 1 13  1  27 f 93.13843 1.467480  86.86000       2.732449  85.63366       3.800087  88.17284       3.931813  -1.357597      2.934959  
1 1 1 13  1  28 o 98.70670 1.093138  97.51749       2.157634  96.44323       3.017951  98.64066       3.085893  -1.110657      2.186276  
1 1 1 13  1  29 o 58.88548 0.7397705 34.68280       0.8710463 34.16702       1.216485  35.22547       1.247803  -0.8979034     1.479541  
1 1 1 13  1  30 o 45.82678 0.6521830 20.98808       0.5973659 21.68245       0.8639125 20.35191       0.8269078 1.450665       1.304366  
1 1 1 13  1  31 o 104.8602 1.154247  110.1456       2.420642  109.7531       3.410356  110.5441       3.436403  -0.3757477     2.308495  
1 1 1 13  1  32 o 60.49850 0.7560959 36.42459       0.9114854 34.34511       1.226460  38.99016       1.362282  -3.833755      1.512192  
1 1 1 13  1  33 o 66.02531 0.8035347 43.62621       1.060918  43.03335       1.484899  44.24443       1.516322  -0.9157562     1.607069  
1 1 1 13  1  34 o 109.2560 1.200502  119.3685       2.618191  115.2256       3.571616  124.1809       3.849320  -4.078270      2.401004  
1 1 1 13  1  35 o 108.4537 1.193835  117.9236       2.588987  116.5178       3.617555  119.3996       3.706839  -1.321129      2.387669  
1 1 1 13  1  36 o 74.67902 0.8828720 55.78250       1.317410  54.17474       1.815930  57.56889       1.914147  -2.266182      1.765744  
1 1 1 13  1  37 o 69.21499 0.8387945 47.91794       1.160046  46.47972       1.598697  49.51731       1.685880  -2.188232      1.677589  
1 1 1 13  1  38 o 39.94530 0.6524401 15.97064       0.5211781 15.74480       0.7303352 16.20500       0.7439682 -0.5752068     1.304880  
1 1 1 13  1  39 o 27.36127 0.6717647 7.383785       0.3635872 6.025134       0.4849472 9.127919       0.5494530 -5.665543      1.343529  
1 1 1 13  1  40 o 33.67850 0.6734951 11.34716       0.4533692 11.04353       0.6278748 11.67793       0.6553277 -0.9398003     1.346990  
1 1 1 13  1  41 o 80.54796 0.9490691 65.08046       1.528908  64.90919       2.159568  65.25257       2.164847  -0.2125397     1.898138  
1 1 1 13  1  42 o 18.56219 0.8644683 3.456570       0.3192082 2.999956       0.4445619 3.942528       0.4586236 -2.537346      1.728937  
1 1 1 13  1  43 o 35.95807 1.001111  12.99509       0.7165242 11.40478       1.002257  14.65759       1.024753  -4.519958      2.002222  
1 1 1 13  1  44 o 37.03432 0.8280783 13.58776       0.5838646 13.22631       0.7180342 14.29318       1.003094  -1.406082      1.656157  
1 1 1 13  1  45 o 39.27896 0.7036424 15.45928       0.5526845 15.22115       0.7735107 15.70764       0.7899774 -0.6173935     1.407285  
1 1 1 13  1  46 o 21.53362 1.159073  4.671413       0.4932671 4.690555       0.6503453 4.645487       0.7568830 0.1263256      2.318146  
1 1 1 13  1  47 o 18.56943 0.9322620 3.454756       0.3404941 2.663322       0.4651932 4.368037       0.4997214 -4.584375      1.864524  
1 1 1 13  1  48 o 38.30760 0.7281325 14.63274       0.5561906 16.18039       0.8219402 13.32549       0.7554092 3.716686       1.456265  
1 1 1 13  1  49 o 17.49140 1.019771  3.083371       0.3559771 3.314610       0.5033683 2.852023       0.5034872 1.322351       2.039541  
1 1 1 13  1  50 o 40.11044 0.7424520 16.13475       0.5954276 16.62943       0.8535206 15.66577       0.8310525 1.197563       1.484904  
1 1 1 13  1  51 o 42.90079 0.7495383 18.44285       0.6425419 17.52332       0.8882282 19.45229       0.9306376 -2.240517      1.499077  
1 1 1 13  1  52 o 37.75545 0.7577599 14.30950       0.5721530 14.51873       0.8143325 14.10552       0.8040581 0.5453186      1.515520  
1 1 1 13  2  0  f 222.2191 2.325844  493.7141       10.33104  484.5635       14.32304  503.6375       14.91558  -4.287292      4.651687  
1 1 1 13  2  1  o 238.8902 2.495462  570.9802       11.92193  567.9482       16.74031  574.1008       16.98261  -1.285736      4.990924  
1 1 1 13  2  2  o 126.9584 1.355120  161.1178       3.439196  164.1330       4.957731  158.3209       4.774934  2.288116       2.710240  
1 1 1 13  2  3  o 349.9813 3.636158  1225.905       25.43945  1247.039       36.66294  1206.282       35.32782  5.804718       7.272317  
1 1 1 13  2  4  o 262.5684 3.874746  689.7302       20.32368  707.3506       29.60616  674.0266       27.94939  6.320190       7.749491  
1 1 1 13  2  5  f 208.9327 3.089356  436.8965       12.90592  442.6639       18.50893  431.4389       18.00495  2.679581       6.178712  
1 1 1 13  2  6  o 330.7177 3.438302  1094.332       22.72192  1070.979       31.35528  1120.158       32.97301  -7.409607      6.876603  
1 1 1 13  2  7  o 93.54961 1.029799  87.41599       1.924783  85.18671       2.650939  89.90164       2.799217  -2.519257      2.059599  
1 1 1 13  2  8  o 235.3053 2.456296  553.3952       11.54549  539.1041       15.86582  569.4810       16.83261  -6.442154      4.912591  
1 1 1 13  2  9  o 218.1836 2.280487  476.3579       9.949755  481.0502       14.22156  471.8590       13.92527  2.102386       4.560974  
1 1 1 13  2  10 o 115.0557 1.239703  132.3936       2.852331  133.6603       4.073336  131.1750       3.995405  1.079422       2.479406  
1 1 1 13  2  11 o 264.4297 2.755759  700.2557       14.57347  696.6862       20.49681  703.9052       20.72508  -1.360565      5.511518  
1 1 1 13  2  12 o 207.4333 2.172152  430.6659       9.010368  434.6729       12.86721  426.8104       12.62151  1.891037       4.344304  
1 1 1 13  2  13 o 65.96717 0.7784898 43.32825       1.023873  45.90493       1.523116  41.20396       1.382959  3.562241       1.556980  
1 1 1 13  2  14 o 139.2899 2.098928  194.0489       5.843315  190.1479       8.088782  198.3066       8.450469  -2.922760      4.197855  
1 1 1 13  2  15 f 43.05576 0.6132836 17.72985       0.5157318 22.67378       0.8473843 14.82111       0.6499743 9.118225       1.226567  
1 1 1 13  2  16 o 65.62952 0.7836710 42.80264       1.024226  45.99975       1.537802  40.25371       1.373098  4.376518       1.567342  
1 1 1 13  2  17 f 274.4510 2.861914  754.8047       15.70874  757.5986       22.30585  752.0555       22.12627  1.005157       5.723828  
1 1 1 13  2  18 o 262.0665 2.965958  684.5845       15.25803  708.2076       24.18499  668.9652       19.66561  7.357697       5.931916  
1 1 1 13  2  19 o 67.61977 1.148117  45.69599       1.551333  46.78654       2.251171  44.70975       2.140819  1.534309       2.296233  
1 1 1 13  2  20 o 87.16934 1.398605  76.02830       2.438147  75.72884       3.425617  76.33573       3.470952  -0.3473969     2.797209  
1 1 1 13  2  21 o 103.7437 1.387765  108.1937       2.734191  109.2996       3.382707  106.1095       4.643734  1.558495       2.775531  
1 1 1 13  2  22 o 152.0887 1.614423  230.8285       4.897902  222.1798       6.645261  241.1148       7.247171  -6.211258      3.228845  
1 1 1 13  2  23 o 137.7365 1.471977  189.7309       4.051888  194.0345       5.867271  185.8070       5.602374  2.980453       2.943955  
1 1 1 13  2  24 o 54.18982 0.7014960 28.92282       0.7530109 32.64297       1.167756  26.27489       0.9852026 5.873428       1.402992  
1 1 1 13  2  25 o 236.5535 2.479454  560.2816       11.70542  582.0369       17.24046  541.6766       15.94343  8.461548       4.958908  
1 1 1 13  2  26 o 164.6880 1.745856  271.7057       5.748962  275.4287       8.243241  268.1799       8.021799  2.191345       3.491713  
1 1 1 13  2  27 o 146.2515 1.899322  216.4448       5.320265  221.4220       6.671146  207.7480       8.818405  4.792496       3.798643  
1 1 1 13  2  28 o 43.91531 0.8892067 19.30194       0.7808080 19.82631       1.105830  18.78059       1.102635  1.190514       1.778413  
1 1 1 13  2  29 o 90.56405 1.433408  81.86597       2.587813  78.40041       3.494206  86.07590       3.851229  -4.218842      2.866816  
1 1 1 13  2  30 o 55.60336 0.7182800 30.91274       0.7983714 30.19888       1.107726  31.68441       1.151692  -1.334435      1.436560  
1 1 1 13  2  31 o 113.0296 1.234352  128.0130       2.790353  128.3114       3.953952  127.7170       3.938404  0.2620773      2.468705  
1 1 1 13  2  32 o 13.95697 0.8517098 1.954030       0.2360997 1.668897       0.3300145 2.252982       0.3379164 -2.092106      1.703420  
1 1 1 13  2  33 o 23.72310 0.6559644 5.597775       0.3076740 4.506353       0.4184647 6.882032       0.4539294 -5.005838      1.311929  
1 1 1 13  2  34 o 50.84975 0.6964652 25.81454       0.7072984 24.69280       0.9692376 27.09240       1.034490  -2.356716      1.392930  
1 1 1 13  2  35 o 64.75996 0.7987028 41.99022       1.034457  41.77612       1.457070  42.20779       1.468887  -0.3326340     1.597406  
1 1 1 13  2  36 o 46.35488 0.6757615 21.36124       0.6241547 19.81458       0.8396446 23.27140       0.9331113 -3.723984      1.351523  
1 1 1 13  2  37 o 35.01805 0.6399065 12.27354       0.4481235 12.20537       0.6287587 12.34392       0.6388463 -0.1972771     1.279813  
1 1 1 13  2  38 o 52.25058 0.7209222 27.01600       0.7483724 24.58911       0.9911349 30.23469       1.141423  -5.392216      1.441844  
1 1 1 13  2  39 o 55.26533 0.7419835 30.59202       0.8201150 30.51942       1.157528  30.66520       1.162121  -0.1315384     1.483967  
1 1 1 13  2  40 o 24.71886 0.7242235 6.109258       0.3554273 7.172671       0.5162959 5.151283       0.4900321 4.086647       1.448447  
1 1 1 13  2  41 o 15.78352 1.275736  2.681426       0.3526000 2.126121       0.6487911 2.914193       0.4200484 -2.530105      2.551471  
1 1 1 13  2  42 o 66.38000 1.190429  44.26345       1.578431  44.98599       2.298087  43.61818       2.171744  1.010170       2.380857  
1 1 1 13  2  43 o 34.72375 0.6816050 11.95428       0.4708035 10.53910       0.6315265 13.72481       0.7063767 -4.580105      1.363210  
1 1 1 13  2  44 o 52.23326 0.7414812 27.32074       0.7740958 26.69793       1.071536  28.00059       1.119514  -1.241745      1.482962  
1 1 1 13  2  45 o 57.19566 0.7797225 32.73947       0.8909342 34.23496       1.298031  31.40737       1.225074  2.462509       1.559445  
1 1 1 13  2  46 o 38.77452 0.7134070 15.07243       0.5532340 15.16043       0.7844921 14.98537       0.7803066 0.2252121      1.426814  
1 1 1 13  2  47 o 59.52008 1.117483  35.61129       1.327212  35.04710       1.810402  36.26680       1.951445  -0.9959145     2.234967  
1 1 1 13  2  48 o 25.44399 0.8387442 6.493768       0.4250790 6.562866       0.6317897 6.436618       0.5745797 0.2385521      1.677488  
1 1 1 13  2  49 o 48.11141 0.7469851 23.18139       0.7180246 24.29267       1.044570  22.18596       0.9886189 2.180222       1.493970  
1 1 1 13  2  50 o 20.20477 0.9409849 4.049816       0.3743994 3.153235       0.5012367 5.181405       0.5631093 -5.006229      1.881970  
1 1 1 13  2  51 o 45.02719 0.7550448 20.33449       0.6796241 21.07318       0.9789927 19.64734       0.9442177 1.576920       1.510090  
1 1 1 13  2  52 o 40.50479 0.7678006 16.43950       0.6212420 15.39610       0.8585048 17.58648       0.9001088 -2.696072      1.535601  
1 1 1 13  3  0  o 133.4011 1.424512  177.0384       3.784856  188.0972       5.673073  168.1676       5.080936  7.466949       2.849025  
1 1 1 13  3  1  o 606.0481 6.310280  3687.481       76.48624  3703.985       108.2324  3671.018       108.1035  2.716980       12.62056  
1 1 1 13  3  2  o 483.4578 5.021779  2337.059       48.44092  2432.613       71.51209  2256.039       65.84933  18.15628       10.04356  
1 1 1 13  3  3  f 186.3675 1.957520  347.0588       7.289358  338.5049       10.04718  356.5652       10.59179  -4.841141      3.915040  
1 1 1 13  3  4  o 187.9895 1.971196  353.5633       7.411277  353.7826       10.48715  353.3445       10.47512  0.1164246      3.942391  
1 1 1 13  3  5  o 79.91440 0.8995810 63.85738       1.437586  64.56741       2.054116  63.17575       2.012625  0.8705444      1.799162  
1 1 1 13  3  6  f 67.02149 0.7817030 44.92057       1.047782  44.69715       1.474398  45.14851       1.489288  -0.3366699     1.563406  
1 1 1 13  3  7  o 250.0768 2.607330  625.4913       13.03148  613.1395       18.02928  639.0034       18.85717  -5.160019      5.214660  
1 1 1 13  3  8  o 117.1986 1.261381  137.0399       2.950451  132.3225       4.019430  142.5515       4.344656  -4.361679      2.522763  
1 1 1 13  3  9  o 218.8971 2.289785  479.5834       10.02450  480.7768       14.20271  478.3986       14.15100  0.5424957      4.579571  
1 1 1 13  3  10 o 193.7621 2.032276  375.5315       7.872087  369.4640       10.93984  382.0469       11.33637  -3.241623      4.064552  
1 1 1 13  3  11 f 166.7389 1.758733  278.0895       5.863054  274.2007       8.167051  282.2249       8.422049  -2.402939      3.517466  
1 1 1 13  3  12 o 283.7236 2.955577  806.2999       16.76624  795.8855       23.36969  817.3458       24.06781  -3.765411      5.911154  
1 1 1 13  3  13 o 69.86957 0.8092839 48.82298       1.130857  49.06402       1.606379  48.58616       1.592259  0.3418732      1.618568  
1 1 1 13  3  14 f 179.8399 1.893602  323.6438       6.810247  326.0628       9.711786  321.3035       9.552478  1.320877       3.787204  
1 1 1 13  3  15 f 290.9618 4.296990  850.0239       25.00058  859.1143       35.76914  841.3414       34.95715  3.025604       8.593980  
1 1 1 13  3  16 o 88.57509 1.207440  79.32410       2.046255  75.53400       3.393098  81.49034       2.565216  -3.371025      2.414881  
1 1 1 13  3  17 o 47.86993 0.9461192 22.65137       0.9001268 20.50381       1.194604  25.47217       1.369108  -5.187908      1.892238  
1 1 1 13  3  18 o 178.5823 2.664860  319.3530       9.513072  313.6681       13.20236  325.4919       13.71957  -3.296768      5.329720  
1 1 1 13  3  19 o 96.09055 1.296186  93.32025       2.381732  95.71368       2.982439  89.10676       3.957145  3.451195       2.592372  
1 1 1 13  3  20 o 192.3808 2.021552  370.5548       7.777497  373.2822       11.08570  367.9110       10.91438  1.392029       4.043103  
1 1 1 13  3  21 o 98.52580 1.087022  97.11175       2.141961  97.52869       3.039591  96.70046       3.018896  0.4200363      2.174044  
1 1 1 13  3  22 f 135.2170 1.446291  182.9148       3.909833  180.1801       5.441730  185.8329       5.621319  -2.086441      2.892583  
1 1 1 13  3  23 o 191.1914 2.011686  366.0497       7.689325  371.9663       11.06140  360.5171       10.69647  2.982285       4.023372  
1 1 1 13  3  24 o 59.45640 0.7382658 35.09651       0.8735927 37.99009       1.317449  32.82582       1.167068  4.340839       1.476532  
1 1 1 13  3  25 o 73.37270 0.8599629 53.61539       1.257565  56.69334       1.875364  51.10046       1.695184  3.807846       1.719926  
1 1 1 13  3  26 o 206.5834 2.172456  428.1513       8.974798  431.8569       12.81109  424.5799       12.57672  1.748383       4.344913  
1 1 1 13  3  27 o 87.85796 0.9911620 77.25487       1.741619  77.41616       2.468214  77.09491       2.457861  0.1825104      1.982324  
1 1 1 13  3  28 o 153.6449 1.634806  236.5626       5.021705  233.0099       6.987885  240.3567       7.221396  -2.377991      3.269612  
1 1 1 13  3  29 o 91.52588 1.245098  84.91922       2.192452  87.81881       2.773530  80.08911       3.579672  4.260536       2.490197  
1 1 1 13  3  30 o 128.8655 1.963396  166.6306       5.054590  171.7205       7.361815  162.0912       6.952289  3.700294       3.926792  
1 1 1 13  3  31 o 82.74281 1.212467  68.64706       1.971696  68.33737       3.085477  68.86080       2.563353  -0.3462219     2.424934  
1 1 1 13  3  32 o 103.2100 1.139850  106.7057       2.352499  107.8995       3.363553  105.5626       3.291488  1.127800       2.279700  
1 1 1 13  3  33 o 40.11063 0.6328429 16.05129       0.5069234 17.16052       0.7400626 15.07084       0.6957807 2.603352       1.265686  
1 1 1 13  3  34 o 30.45306 0.6322739 9.267844       0.3848172 9.736736       0.5555108 8.835246       0.5335789 1.479254       1.264548  
1 1 1 13  3  35 o 46.31053 0.6734912 21.30188       0.6211694 19.69119       0.8331915 23.31735       0.9320264 -3.910370      1.346982  
1 1 1 13  3  36 f 70.71352 0.8518077 49.98204       1.203071  51.95843       1.757801  48.24042       1.650101  2.621948       1.703615  
1 1 1 13  3  37 o 33.98259 0.6436546 11.49835       0.4362799 12.63187       0.6436651 10.53501       0.5933833 3.082451       1.287309  
1 1 1 13  3  38 o 40.21694 0.6594882 16.19146       0.5304033 16.07120       0.7440898 16.31568       0.7562653 -0.3031731     1.318976  
1 1 1 13  3  39 o 39.56590 0.7942122 15.99275       0.6094860 14.27619       0.9587244 17.15703       0.7895768 -3.654430      1.588424  
1 1 1 13  3  40 o 22.66166 1.098918  5.245355       0.4892374 4.319773       0.7141110 6.064054       0.6716151 -3.853745      2.197836  
1 1 1 13  3  41 o 52.85548 0.8909739 28.34850       0.9005213 29.20968       1.129285  26.84453       1.492371  2.277031       1.781948  
1 1 1 13  3  42 o 45.00777 0.6985326 20.21377       0.6274897 18.98577       0.8550125 21.64725       0.9237806 -2.950218      1.397065  
1 1 1 13  3  43 f 19.70256 0.8499228 3.893243       0.3348191 4.014627       0.4750797 3.773455       0.4719472 0.6116581      1.699846  
1 1 1 13  3  44 o 44.72386 0.7137845 20.04332       0.6384003 20.14166       0.9101892 19.94809       0.8956550 0.2148743      1.427569  
1 1 1 13  3  45 o 76.15231 0.9232891 58.18454       1.405542  56.93397       1.951314  59.53304       2.026277  -1.694885      1.846578  
1 1 1 13  3  46 o 60.51261 0.8035133 36.57360       0.9699051 38.97422       1.436732  34.56351       1.314685  3.627155       1.607027  
1 1 1 13  3  47 o 42.97148 0.7208111 18.51552       0.6194858 18.54394       0.8761322 18.48710       0.8760383 0.6612015E-01  1.441622  
1 1 1 13  3  48 o 29.48537 0.9302242 8.799698       0.5142840 8.922588       0.6288869 8.551605       0.8935564 0.6772652      1.860448  
1 1 1 13  3  49 o 28.19818 0.9297692 7.861588       0.5190896 8.949698       0.8070564 7.093831       0.6779214 3.263973       1.859538  
1 1 1 13  3  50 o 66.59451 0.8678207 44.55814       1.155809  44.83046       1.642173  44.29082       1.627054  0.4022293      1.735641  
1 1 1 13  3  51 o 23.72395 0.8802713 5.658569       0.4176633 5.618952       0.5887715 5.698701       0.5925772 -0.1672516     1.760543  
1 1 1 13  3  52 o 45.19886 0.8488333 20.65355       0.7573171 21.36732       1.003855  19.71072       1.153735  1.863461       1.697667  
1 1 1 13  4  0  o 376.2607 3.906503  1417.536       29.39010  1400.873       41.02594  1435.103       42.12355  -4.533112      7.813006  
1 1 1 13  4  1  o 312.3394 3.247590  976.3837       20.28182  965.0717       28.30433  988.3218       29.07692  -3.712402      6.495180  
1 1 1 13  4  2  o 31.54854 0.5355958 9.690600       0.3332837 12.16398       0.5198389 7.964365       0.4342836 6.655609       1.071192  
1 1 1 13  4  3  o 50.50717 0.6400914 25.40429       0.6448248 24.13230       0.8734478 26.92799       0.9559690 -2.767387      1.280183  
1 1 1 13  4  4  o 69.90334 0.8055649 48.35344       1.117791  52.99046       1.712884  44.91401       1.475201  5.776009       1.611130  
1 1 1 13  4  5  f 38.19745 0.5625231 14.59087       0.4297205 14.77749       0.6090215 14.40585       0.6064200 0.4864731      1.125046  
1 1 1 13  4  6  o 439.7330 4.568316  1936.187       40.11753  1997.248       58.66853  1882.563       54.98040  12.95438       9.136632  
1 1 1 13  4  7  o 155.7233 1.645605  242.1233       5.116670  250.4611       7.499286  234.8614       6.998745  5.004318       3.291211  
1 1 1 13  4  8  o 212.3911 2.221384  449.9438       9.408730  432.6898       12.73952  470.6483       13.95535  -8.920105      4.442768  
1 1 1 13  4  9  o 84.48578 0.9436076 70.93519       1.586566  67.09808       2.120492  75.81508       2.391331  -5.157204      1.887215  
1 1 1 13  4  10 o 141.1634 1.505862  196.8815       4.208704  183.0420       5.503256  216.3794       6.532135  -11.79703      3.011725  
1 1 1 13  4  11 o 46.64132 0.6201570 21.17052       0.5696858 25.28096       0.9073262 18.49553       0.7319468 7.273201       1.240314  
1 1 1 13  4  12 o 62.46463 0.7440069 38.91704       0.9278097 40.74729       1.362952  37.33646       1.266584  2.729622       1.488014  
1 1 1 13  4  13 o 89.78780 1.225474  80.70700       2.070644  80.46305       3.597899  80.82781       2.531996  -0.2132111     2.450948  
1 1 1 13  4  14 o 65.35188 1.118023  42.70390       1.460898  42.04210       2.037204  43.40453       2.096097  -1.041870      2.236046  
1 1 1 13  4  15 o 121.7518 1.858782  148.1725       4.521613  144.4679       6.228185  152.3011       6.574952  -3.211357      3.717563  
1 1 1 13  4  16 o 105.0808 1.484894  110.3864       3.050544  110.0306       3.917567  110.9344       4.862063  -0.4174347     2.969788  
1 1 1 13  4  17 o 234.1178 2.447096  548.8763       11.45613  543.1439       16.02096  554.8745       16.38811  -2.496735      4.894192  
1 1 1 13  4  18 o 133.6455 1.428384  178.6976       3.817608  177.3161       5.356528  180.1236       5.442320  -1.049103      2.856768  
1 1 1 13  4  19 o 155.0940 1.644619  240.2369       5.092557  232.6691       6.960187  248.9559       7.470824  -5.241394      3.289239  
1 1 1 13  4  20 o 100.7006 1.106395  101.3554       2.226730  103.7917       3.222744  99.12982       3.080231  2.312866       2.212790  
1 1 1 13  4  21 f 75.93090 0.8787088 57.64367       1.333939  58.66777       1.918015  56.68427       1.856441  1.305405       1.757418  
1 1 1 13  4  22 f 36.06976 0.6278602 12.88638       0.4504840 14.87315       0.6732956 11.27616       0.6061437 4.985500       1.255720  
1 1 1 13  4  23 o 149.2800 1.588474  223.0067       4.740746  226.7018       6.818328  219.5485       6.596051  2.390030       3.176948  
1 1 1 13  4  24 o 91.55843 1.022407  83.75993       1.870226  81.42649       2.574272  86.36823       2.721676  -2.695663      2.044815  
1 1 1 13  4  25 o 141.4391 1.512150  200.2752       4.276320  197.4562       5.962275  203.2616       6.136759  -2.046173      3.024301  
1 1 1 13  4  26 o 101.8819 1.122016  103.8461       2.285411  102.0786       3.179899  105.7345       3.286873  -1.790993      2.244032  
1 1 1 13  4  27 o 95.59893 1.062210  91.27433       2.027387  88.13024       2.770076  94.90137       2.975219  -3.534485      2.124420  
1 1 1 13  4  28 o 23.61228 0.6242537 5.555566       0.2941982 5.222314       0.4009190 5.944385       0.4330551 -1.528324      1.248507  
1 1 1 13  4  29 o 158.2648 1.682799  250.9231       5.319990  244.2370       7.309172  258.4557       7.758081  -4.461243      3.365597  
1 1 1 13  4  30 o 71.47573 0.8469135 51.13260       1.210640  51.39323       1.720094  50.87675       1.704223  0.3606873      1.693827  
1 1 1 13  4  31 o 58.42248 0.9109555 32.79291       0.9657912 31.04647       1.132607  37.44655       1.848841  -5.445919      1.821911  
1 1 1 13  4  32 o 88.06351 1.401572  77.67416       2.466291  80.22152       3.582606  75.37951       3.400258  2.735535       2.803145  
1 1 1 13  4  33 o 57.83556 0.9336186 33.66163       1.068990  32.23694       1.612185  34.77948       1.428066  -2.207783      1.867237  
1 1 1 13  4  34 o 26.11243 0.6454774 6.804742       0.3365932 6.346719       0.4629458 7.318400       0.4902567 -1.859406      1.290955  
1 1 1 13  4  35 o 108.8557 1.199657  118.7775       2.610798  120.7672       3.755028  116.9154       3.632473  1.758926       2.399314  
1 1 1 13  4  36 o 76.88008 0.9052560 59.16677       1.391169  57.84582       1.929093  60.59815       2.008106  -1.784340      1.810512  
1 1 1 13  4  37 o 57.81359 0.7529256 33.45914       0.8703806 33.98252       1.247554  32.96280       1.214904  0.8797722      1.505851  
1 1 1 13  4  38 o 62.35680 1.584620  0.000000       0.000000  ?              ?         39.02140       1.976236  ?              ?         
1 1 1 13  4  39 o 19.31547 1.231194  3.849738       0.4624106 2.977537       0.6786834 4.605437       0.6317326 -4.219942      2.462387  
1 1 1 13  4  40 o 30.21403 0.6768700 9.016469       0.4061781 7.899754       0.5396277 10.47615       0.6169514 -4.257509      1.353740  
1 1 1 13  4  41 o 33.68099 0.6627238 11.36283       0.4463698 11.42133       0.6273550 11.30285       0.6352434 0.1765556      1.325448  
1 1 1 13  4  42 o 37.25967 0.6816046 13.83062       0.5064619 15.28416       0.7473074 12.59591       0.6887602 3.602036       1.363209  
1 1 1 13  4  43 o 42.12405 0.8999163 18.14887       0.6999778 16.88401       1.237010  18.74465       0.8489731 -2.257381      1.799833  
1 1 1 13  4  44 o 43.97837 0.7029167 19.36619       0.6180120 18.81165       0.8594736 19.95988       0.8892908 -1.302307      1.405833  
1 1 1 13  4  45 o 34.91646 0.6898471 12.21560       0.4814790 12.09979       0.6686302 12.34033       0.6939012 -0.3414459     1.379694  
1 1 1 13  4  46 f 8.970783 1.607317  0.8456330      0.2884816 0.8273241      0.3962678 0.8662773      0.4207842 -0.2047176     3.214633  
1 1 1 13  4  47 o 34.41949 0.7213550 11.87260       0.4964215 12.23932       0.7119718 11.52564       0.6925241 1.034111       1.442710  
1 1 1 13  4  48 o 6.577547 1.691544  0.3511121      0.2907636 0.2484820      0.4013869 0.4644325      0.4217740 -1.020625      3.383088  
1 1 1 13  4  49 f 35.45024 0.8350931 12.49417       0.5785052 12.04660       0.7370111 13.21253       0.9337068 -1.607841      1.670186  
1 1 1 13  4  50 o 38.11903 0.9053908 14.62891       0.6843842 14.43621       1.033924  14.77919       0.9130399 -0.4747238     1.810782  
1 1 1 13  4  51 o 38.26211 0.8382413 14.77532       0.6328812 14.31228       0.9696480 15.11899       0.8353503 -1.082355      1.676483  
1 1 1 13  4  52 o 36.30840 2.880968  13.56482       2.092067  13.56482       2.092067  ?              ?         ?              ?         
1 1 1 13  5  0  o 418.0925 6.154369  1753.172       51.40280  1801.654       74.86820  1709.937       70.69983  10.86609       12.30874  
1 1 1 13  5  1  o 325.6940 4.793284  1063.396       31.21664  1075.300       44.68365  1052.048       43.62924  3.548492       9.586568  
1 1 1 13  5  2  o 160.3353 2.068658  256.9984       6.253576  257.8465       10.84193  256.5755       7.655362  0.3678589      4.137315  
1 1 1 13  5  3  o 196.6811 2.063384  386.3376       8.104219  399.3674       11.86025  374.9254       11.09971  6.206360       4.126768  
1 1 1 13  5  4  o 34.58162 0.5372947 11.93826       0.3712816 12.56547       0.5380777 11.36823       0.5129649 1.730965       1.074589  
1 1 1 13  5  5  o 120.1854 1.289243  142.4550       3.063394  157.5039       4.787161  132.0190       3.986497  10.59698       2.578485  
1 1 1 13  5  6  o 111.2960 1.211689  122.2270       2.666261  134.6221       4.164328  113.6157       3.470986  9.432541       2.423378  
1 1 1 13  5  7  o 60.33198 0.7301406 35.49764       0.8659301 41.29836       1.389678  31.81583       1.107144  7.857410       1.460281  
1 1 1 13  5  8  o 126.2522 1.351184  159.2580       3.408378  163.5020       4.954954  155.4462       4.695826  3.188126       2.702368  
1 1 1 13  5  9  o 136.3216 1.452942  184.2935       3.932738  173.3248       5.200530  198.9445       6.010430  -9.388535      2.905885  
1 1 1 13  5  10 f 135.3535 1.561046  182.8417       4.165752  186.0067       6.485475  180.6187       5.435223  1.977798       3.122091  
1 1 1 13  5  11 o 56.32334 1.011180  31.56218       1.135036  29.82893       1.528791  33.69104       1.694306  -3.427170      2.022360  
1 1 1 13  5  12 o 312.8765 4.620677  982.0695       28.87508  1011.639       42.16257  955.9507       39.62639  8.806580       9.241355  
1 1 1 13  5  13 o 48.76183 0.9379545 23.75758       0.9141580 24.45541       1.321674  23.11754       1.265767  1.371433       1.875909  
1 1 1 13  5  14 o 111.8036 1.306241  125.3595       2.902720  128.0353       3.917182  122.1006       4.322868  2.658455       2.612483  
1 1 1 13  5  15 o 68.67409 0.8066449 47.01023       1.105365  49.44354       1.632039  44.94806       1.502436  3.272133       1.613290  
1 1 1 13  5  16 o 141.2098 1.503154  199.4160       4.243356  196.1876       5.897612  202.8811       6.110048  -2.367126      3.006308  
1 1 1 13  5  17 f 209.3656 2.196129  438.8983       9.195160  441.6077       13.10097  436.2676       12.90900  1.271103       4.392257  
1 1 1 13  5  18 o 145.5404 1.550642  211.9037       4.512290  214.7164       6.475764  209.2493       6.290935  1.875153       3.101285  
1 1 1 13  5  19 o 313.2587 3.265829  984.1873       20.45228  969.1276       28.43268  1000.335       29.44146  -4.943634      6.531659  
1 1 1 13  5  20 o 107.2112 1.170855  114.8531       2.508005  118.0428       3.647396  111.9924       3.454195  2.818924       2.341711  
1 1 1 13  5  21 o 130.2744 1.397848  169.0991       3.628901  161.5883       4.888730  178.3165       5.415718  -6.409790      2.795696  
1 1 1 13  5  22 o 76.10161 0.8829397 57.90176       1.343329  59.06876       1.933225  56.81221       1.867963  1.481674       1.765879  
1 1 1 13  5  23 o 101.4201 1.118299  102.1705       2.255215  96.36133       3.001101  109.7063       3.418152  -6.570694      2.236597  
1 1 1 13  5  24 o 180.9111 1.908985  327.7014       6.901546  335.4775       10.00416  320.6399       9.533374  4.081390       3.817970  
1 1 1 13  5  25 o 93.57414 1.043364  87.34850       1.947937  83.85299       2.646112  91.48374       2.878081  -4.071495      2.086727  
1 1 1 13  5  26 o 58.42617 0.7348073 33.95827       0.8555877 31.96081       1.152113  36.41439       1.277554  -3.808609      1.469615  
1 1 1 13  5  27 o 116.0190 1.260050  134.7632       2.923096  133.0235       4.080417  136.5972       4.189506  -1.535606      2.520100  
1 1 1 13  5  28 o 102.8965 1.134036  105.4401       2.323938  100.1362       3.118658  112.0626       3.484833  -5.780388      2.268072  
1 1 1 13  5  29 f 71.29207 0.8428383 50.86107       1.201612  50.32132       1.683653  51.42141       1.715465  -0.7703705     1.685677  
1 1 1 13  5  30 o 101.3057 1.121114  102.1130       2.259608  96.53770       3.015393  109.2532       3.412452  -6.255249      2.242227  
1 1 1 13  5  31 o 75.57941 0.8825653 57.15966       1.333627  56.22050       1.857065  58.15980       1.916402  -1.280304      1.765131  
1 1 1 13  5  32 o 20.45789 0.6917140 4.127649       0.2802634 3.415956       0.3739874 5.039304       0.4232782 -3.965694      1.383428  
1 1 1 13  5  33 o 28.28871 0.7516654 8.166287       0.4055646 8.572386       0.5098585 7.466657       0.6692208 1.961302       1.503331  
1 1 1 13  5  34 o 48.28312 0.9382813 23.35869       0.9057935 23.65374       1.270746  23.05393       1.291476  0.6224899      1.876563  
1 1 1 13  5  35 o 56.69738 0.8767974 32.67198       0.9679036 29.93070       1.519833  34.54236       1.255405  -4.083199      1.753595  
1 1 1 13  5  36 o 45.29168 0.7447820 20.51689       0.6639395 20.66794       1.037106  20.41199       0.8642557 0.2720375      1.489564  
1 1 1 13  5  37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  5  38 o 23.27786 0.7668642 5.363600       0.3519126 5.071900       0.4553994 5.795993       0.5544523 -1.547504      1.533728  
1 1 1 13  5  39 o 48.91198 0.7029914 23.94308       0.6874170 23.37088       0.9557101 24.55644       0.9894779 -1.209370      1.405983  
1 1 1 13  5  40 o 47.35043 0.7007100 22.44282       0.6633219 22.98696       0.9544687 21.93450       0.9225050 1.108692       1.401420  
1 1 1 13  5  41 o 9.935537 1.385352  1.028073       0.2654637 1.028834       0.3731258 1.027293       0.3777620 0.1109982E-01  2.770705  
1 1 1 13  5  42 o 14.20678 1.006138  2.026304       0.2858546 2.018701       0.4065100 2.033742       0.4020458 -0.5354977E-01 2.012275  
1 1 1 13  5  43 o 50.24576 0.7302738 25.23186       0.7327183 26.57244       1.073486  24.06252       1.002584  2.490089       1.460548  
1 1 1 13  5  44 o 43.26003 0.7054944 18.66328       0.6088650 17.38705       0.8268451 20.17506       0.8999189 -3.214394      1.410989  
1 1 1 13  5  45 o 12.84846 1.129849  1.650674       0.2892050 1.545913       0.3885767 1.780768       0.4330184 -0.9051580     2.259697  
1 1 1 13  5  46 o 9.293411 1.494104  0.9090859      0.2855990 1.287133       0.3994676 0.5137902      0.4084789 4.015121       2.988209  
1 1 1 13  5  47 o 36.31202 0.7150496 13.22704       0.5190929 13.60415       0.7322745 12.84612       0.7359557 1.044273       1.430099  
1 1 1 13  5  48 f 29.99073 0.7512572 8.968691       0.4491826 8.311222       0.6068015 9.765686       0.6680928 -2.415442      1.502514  
1 1 1 13  5  49 o 47.85526 0.7548360 22.98185       0.7224197 22.88059       1.015615  23.08556       1.027805  -0.2121162     1.509672  
1 1 1 13  5  50 o 22.29630 1.343384  5.070426       0.5595880 4.914200       0.9774504 5.146593       0.6825022 -0.6110916     2.686769  
1 1 1 13  5  51 o 23.53070 1.473139  5.472881       0.5942575 5.336328       0.6793222 5.918000       1.226486  -1.038664      2.946278  
1 1 1 13  5  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  6  0  o 214.3558 2.245549  459.5073       9.622198  467.9521       13.87102  451.6743       13.35910  3.791763       4.491099  
1 1 1 13  6  1  o 137.6205 2.086608  189.4483       5.743202  189.4483       5.743202  ?              ?         ?              ?         
1 1 1 13  6  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  6  3  o 183.0954 2.733495  335.1995       9.999269  327.4278       13.76950  343.8707       14.54450  -4.479507      5.466990  
1 1 1 13  6  4  o 38.82699 0.7161777 14.83249       0.5510304 16.93963       0.8527520 13.32192       0.7220133 4.658257       1.432355  
1 1 1 13  6  5  o 136.2245 1.753754  187.6926       4.608394  177.7216       7.486768  193.7750       5.847423  -5.908234      3.507507  
1 1 1 13  6  6  o 120.8266 1.295916  145.4606       3.121590  152.8820       4.643170  139.3398       4.216761  5.600639       2.591832  
1 1 1 13  6  7  o 151.8441 1.606940  230.3356       4.874150  224.1907       6.697740  237.2536       7.106593  -4.297119      3.213879  
1 1 1 13  6  8  o 30.50951 0.7153683 9.836125       0.3977738 7.950868       0.6899685 10.77465       0.4868175 -4.628693      1.430737  
1 1 1 13  6  9  o 80.18373 1.301378  64.19839       2.084062  62.18635       2.857240  66.48577       3.046469  -2.679085      2.602756  
1 1 1 13  6  10 o 156.1289 2.345606  244.0682       7.324327  244.2561       10.36731  243.8809       10.34904  0.1198273      4.691211  
1 1 1 13  6  11 o 73.12441 1.036409  54.01413       1.438493  55.21824       1.784330  51.77864       2.431245  2.357117       2.072819  
1 1 1 13  6  12 o 125.1032 1.341311  156.4877       3.354610  159.2491       4.829858  153.9140       4.662820  2.130554       2.682622  
1 1 1 13  6  13 o 260.9058 2.721296  681.8731       14.19984  679.8536       20.01811  683.9184       20.14571  -0.7761230     5.442592  
1 1 1 13  6  14 o 143.1871 1.522672  204.9587       4.357297  200.6270       6.024261  209.7109       6.309959  -3.168243      3.045344  
1 1 1 13  6  15 o 141.9605 1.510317  200.6032       4.269778  212.4991       6.403438  191.0798       5.729388  7.534760       3.020633  
1 1 1 13  6  16 o 127.2827 1.365649  162.0472       3.475702  164.1157       4.978877  160.0809       4.854260  1.583282       2.731299  
1 1 1 13  6  17 o 61.01674 0.7479425 36.97206       0.9087237 40.04036       1.365753  34.53461       1.217282  4.510509       1.495885  
1 1 1 13  6  18 o 86.81092 1.052123  75.62662       1.820368  71.62383       2.641387  79.24757       2.512244  -4.392517      2.104246  
1 1 1 13  6  19 o 146.1201 1.554434  213.4000       4.537639  219.4473       6.606495  207.9993       6.243279  3.910583       3.108868  
1 1 1 13  6  20 o 86.52202 0.9755901 74.59439       1.683269  71.27486       2.277549  78.59022       2.498811  -4.224533      1.951180  
1 1 1 13  6  21 o 156.1204 1.655384  244.0290       5.168780  243.9135       7.305663  244.1447       7.313863  -0.7383728E-01 3.310768  
1 1 1 13  6  22 o 24.61880 0.6260030 5.976928       0.3058056 5.093029       0.4075939 7.115243       0.4625488 -4.106478      1.252006  
1 1 1 13  6  23 o 71.03306 0.8364151 50.46597       1.188055  49.92218       1.661599  51.03476       1.699366  -0.7825165     1.672830  
1 1 1 13  6  24 o 35.98567 0.6174548 12.50971       0.4367217 10.32409       0.5607391 15.87953       0.6962679 -7.717052      1.234910  
1 1 1 13  6  25 o 105.4374 1.156677  110.9503       2.433455  115.9430       3.592376  106.7167       3.308031  4.366554       2.313354  
1 1 1 13  6  26 o 116.8601 1.267757  136.5573       2.959539  132.8530       4.068659  140.7195       4.312848  -3.356041      2.535515  
1 1 1 13  6  27 o 70.60948 0.8372647 49.85884       1.181932  48.75490       1.644142  51.03947       1.700281  -1.616150      1.674529  
1 1 1 13  6  28 f 68.34198 0.8181459 46.72818       1.118065  46.09951       1.562837  47.38727       1.600189  -0.9409409     1.636292  
1 1 1 13  6  29 o 39.39730 0.6257336 15.44650       0.4916918 16.73958       0.7284299 14.36422       0.6664155 3.012890       1.251467  
1 1 1 13  6  30 o 59.60061 0.7499924 35.54552       0.8939344 35.85323       1.273668  35.24678       1.254968  0.5080948      1.499985  
1 1 1 13  6  31 o 74.52446 0.8791891 55.52394       1.309081  53.95316       1.802501  57.27723       1.904334  -2.225487      1.758378  
1 1 1 13  6  32 o 70.56625 0.8412992 49.82738       1.186944  50.73337       1.705818  48.97703       1.652630  1.241982       1.682598  
1 1 1 13  6  33 o 41.80240 0.6467524 17.41865       0.5396445 18.72093       0.7931234 16.29604       0.7363772 2.898106       1.293505  
1 1 1 13  6  34 o 23.87598 0.6778839 5.649756       0.3187340 7.194265       0.4755006 4.389542       0.4295149 5.871361       1.355768  
1 1 1 13  6  35 o 33.05244 2.302005  10.98641       1.521737  10.98641       1.521737  ?              ?         ?              ?         
1 1 1 13  6  36 o 36.57020 1.190136  13.39643       0.8704703 13.39643       0.8704703 ?              ?         ?              ?         
1 1 1 13  6  37 o 27.55774 0.6727442 7.604671       0.3705006 7.633592       0.5145002 7.573521       0.5339763 0.1102371      1.345488  
1 1 1 13  6  38 f 29.85586 0.6697087 8.778886       0.3958480 10.74706       0.6012375 7.272939       0.5259196 5.812899       1.339417  
1 1 1 13  6  39 o 31.84048 0.6584677 10.15275       0.4192545 10.37273       0.5936180 9.933812       0.5922152 0.6891403      1.316935  
1 1 1 13  6  40 o 7.896006 1.377110  0.6437485      0.2457182 1.038787       0.3357664 0.1882356      0.3605520 4.544112       2.754219  
1 1 1 13  6  41 o 17.59956 0.8650529 3.122548       0.3023696 3.525693       0.4259755 2.713136       0.4292739 2.308836       1.730106  
1 1 1 13  6  42 o 58.34076 0.7744774 33.92782       0.9007610 36.48959       1.341349  31.82370       1.215645  3.985287       1.548955  
1 1 1 13  6  43 o 29.12856 0.7032996 8.471858       0.4089646 7.859280       0.5603240 9.170205       0.5982652 -2.246330      1.406599  
1 1 1 13  6  44 o 11.48289 2.013558  1.385810       0.4567770 1.466863       0.7014843 1.326145       0.6018601 0.5652189      4.027116  
1 1 1 13  6  45 o 38.92620 0.6981585 15.11953       0.5421829 16.62141       0.7963157 13.82161       0.7402726 3.589405       1.396317  
1 1 1 13  6  46 o 30.47648 0.7249268 9.311337       0.4414205 9.888338       0.6300259 8.754974       0.6186553 1.857924       1.449854  
1 1 1 13  6  47 o 10.33833 1.468432  1.093400       0.2981303 0.8798982      0.4051998 1.345393       0.4402131 -2.404416      2.936864  
1 1 1 13  6  48 o 43.09934 0.7300838 18.61443       0.6289535 17.98426       0.8717389 19.29864       0.9083387 -1.519089      1.460168  
1 1 1 13  6  49 f 17.70877 1.573282  3.211408       0.5480024 3.019350       0.8405838 3.353371       0.7226926 -0.9836922     3.146564  
1 1 1 13  6  50 o 28.72067 0.7789794 8.226426       0.4459240 7.556142       0.6018667 9.042144       0.6639590 -2.575476      1.557959  
1 1 1 13  6  51 o 35.23377 0.7594337 12.46275       0.5350986 12.37438       0.7503601 12.55419       0.7632930 -0.2527504     1.518867  
1 1 1 13  6  52 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  7  0  o 131.2896 2.001522  170.6743       5.212367  186.0487       8.013927  159.4015       6.862167  10.13669       4.003044  
1 1 1 13  7  1  o 232.6531 3.444289  540.9583       15.99455  561.2223       23.52432  523.5368       21.81203  8.068542       6.888579  
1 1 1 13  7  2  o 261.5175 3.863821  685.2376       20.20339  694.5716       28.98833  676.4214       28.17294  3.453247       7.727641  
1 1 1 13  7  3  f 284.0035 4.193055  807.8372       23.79143  829.3531       34.61462  788.5713       32.75469  7.136017       8.386109  
1 1 1 13  7  4  o 197.8987 4.163249  392.2083       16.47803  392.2083       16.47803  ?              ?         ?              ?         
1 1 1 13  7  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  7  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  7  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  7  8  o 232.5477 3.442924  538.5592       15.92212  575.2941       24.10277  510.1169       21.20846  13.93518       6.885849  
1 1 1 13  7  9  o 195.2057 2.047635  380.7985       7.983132  370.3677       10.95046  392.6307       11.66290  -5.690674      4.095271  
1 1 1 13  7  10 o 148.9091 1.578954  220.7552       4.682670  210.5579       6.286747  233.4629       7.018027  -7.681839      3.157908  
1 1 1 13  7  11 o 93.85089 1.035527  87.96954       1.941524  90.75404       2.827914  85.48677       2.670317  2.804916       2.071054  
1 1 1 13  7  12 o 148.5029 1.576967  220.1914       4.675081  213.4322       6.384586  228.0051       6.864605  -4.900375      3.153934  
1 1 1 13  7  13 f 124.6947 1.337671  155.5500       3.335898  156.3533       4.741280  154.7625       4.694414  0.6373062      2.675342  
1 1 1 13  7  14 o 97.62222 1.075757  94.95560       2.093832  99.88662       3.112396  90.87890       2.829965  4.610786       2.151514  
1 1 1 13  7  15 o 178.7378 1.883104  319.7811       6.731638  319.7533       9.518374  319.8087       9.521573  -0.1545715E-01 3.766208  
1 1 1 13  7  16 o 232.4928 2.431757  541.4289       11.30658  538.3233       15.88239  544.6199       16.09967  -1.348679      4.863515  
1 1 1 13  7  17 o 74.81114 0.8672093 55.93677       1.296774  54.78566       1.797011  57.18755       1.873191  -1.604568      1.734419  
1 1 1 13  7  18 o 41.99099 0.6202803 17.61692       0.5204266 17.25325       0.7176654 18.02027       0.7558036 -0.9130363     1.240561  
1 1 1 13  7  19 o 56.85786 1.066675  31.98195       1.205382  29.18985       1.599175  35.65519       1.834233  -5.682255      2.133350  
1 1 1 13  7  20 f 43.76646 0.6380605 19.15305       0.5584040 19.69030       0.7964772 18.63370       0.7830980 1.206951       1.276121  
1 1 1 13  7  21 o 116.7866 1.264287  136.4778       2.952781  135.4867       4.143398  137.5005       4.209105  -0.8607941     2.528573  
1 1 1 13  7  22 o 31.41468 0.6019117 9.876234       0.3779116 10.05177       0.5276181 9.691306       0.5415496 0.5738716      1.203823  
1 1 1 13  7  23 o 25.49608 0.6254942 6.238997       0.3107359 4.628724       0.3998960 8.692959       0.4936634 -7.969030      1.250988  
1 1 1 13  7  24 f 82.09328 0.9367471 67.29811       1.535793  69.88479       2.246478  65.02836       2.104359  2.954559       1.873494  
1 1 1 13  7  25 o 9.892854 1.195899  1.098232       0.2160450 1.628420       0.2967756 0.5004886      0.3151160 5.728986       2.391797  
1 1 1 13  7  26 o 103.2167 1.137525  106.4063       2.343741  110.7021       3.445427  102.7064       3.197538  3.863853       2.275050  
1 1 1 13  7  27 o 70.37875 0.8997074 49.68993       1.257599  50.62902       1.690939  48.52753       1.881275  1.499168       1.799415  
1 1 1 13  7  28 o 101.5751 1.121797  103.2599       2.277581  105.3999       3.289743  101.2899       3.156368  2.016609       2.243593  
1 1 1 13  7  29 o 118.2227 1.284872  140.0341       3.037462  138.4443       4.246846  141.6990       4.346115  -1.370628      2.569744  
1 1 1 13  7  30 o 15.13359 0.8206186 2.268907       0.2462040 1.884484       0.3317340 2.740318       0.3673545 -2.826137      1.641237  
1 1 1 13  7  31 o 111.5386 1.221668  124.6770       2.725004  123.6139       3.822007  125.7762       3.886272  -0.9650345     2.443336  
1 1 1 13  7  32 o 78.50752 0.9128990 61.31437       1.426669  57.78239       1.908694  65.78587       2.147599  -5.084534      1.825798  
1 1 1 13  7  33 o 39.15027 0.9782583 15.19600       0.7603263 16.64509       1.164362  14.11875       1.003917  3.215698       1.956517  
1 1 1 13  7  34 o 71.62971 1.127788  51.09639       1.569733  50.03362       1.986592  52.86286       2.561175  -1.929504      2.255576  
1 1 1 13  7  35 o 22.45100 0.9105464 5.108315       0.4021598 5.434707       0.5336473 4.679305       0.6118115 1.688032       1.821093  
1 1 1 13  7  36 o 16.73938 0.8525043 2.848092       0.2811082 3.283681       0.3881857 2.367796       0.4076200 2.737161       1.705009  
1 1 1 13  7  37 o 44.82067 0.9090473 20.14333       0.8145041 20.41101       1.139389  19.86357       1.164796  0.6130409      1.818095  
1 1 1 13  7  38 o 25.00565 0.8016462 6.266550       0.3993815 6.246047       0.5907001 6.283815       0.5420518 -0.7966614E-01 1.603292  
1 1 1 13  7  39 o 5.310537 1.408544  0.6385691E-02  0.2394218 -0.3827385     0.3217447 0.4892257      0.3584008 -3.466527      2.817088  
1 1 1 13  7  40 o 70.17215 0.8601938 49.37070       1.207200  49.64177       1.715018  49.10448       1.699563  0.3811417      1.720388  
1 1 1 13  7  41 o 23.53526 0.7394174 5.547461       0.3444359 6.673983       0.5000627 4.530571       0.4751068 4.551136       1.478835  
1 1 1 13  7  42 o 58.95568 0.7784679 34.79251       0.9170486 35.99485       1.332505  33.71061       1.264010  1.929592       1.556936  
1 1 1 13  7  43 o 37.42050 0.6902489 14.03206       0.5165364 14.10347       0.7264225 13.95903       0.7346321 0.1938438      1.380498  
1 1 1 13  7  44 o 17.73997 0.9080520 3.118161       0.3174068 2.439329       0.4252059 3.972473       0.4770091 -4.313204      1.816104  
1 1 1 13  7  45 f 49.45680 0.7376931 24.52669       0.7296632 24.66337       1.030658  24.38936       1.033146  0.2773323      1.475386  
1 1 1 13  7  46 o 20.44461 0.8765571 4.246751       0.3526902 5.073489       0.4961827 3.402478       0.5014170 4.087524       1.753114  
1 1 1 13  7  47 o 14.01605 1.144247  2.002982       0.3167166 2.276142       0.4375365 1.702302       0.4590469 2.051940       2.288494  
1 1 1 13  7  48 o 19.84102 1.445646  4.014133       0.5663679 3.811578       0.8599346 4.169309       0.7526705 -0.9359341     2.891291  
1 1 1 13  7  49 o 35.24208 0.7401471 12.44878       0.5212513 11.76300       0.7246755 13.18393       0.7503144 -2.011692      1.480294  
1 1 1 13  7  50 o 26.61956 0.8049698 7.122469       0.4277529 7.191598       0.5887948 7.045205       0.6224774 0.2816925      1.609940  
1 1 1 13  7  51 o 52.61996 0.9686223 27.11753       0.9472709 25.91726       1.133682  29.89402       1.724242  -3.640232      1.937245  
1 1 1 13  8  0  f 40.00006 0.9135504 15.72774       0.7244747 18.36768       1.115133  13.79969       0.9529908 5.709145       1.827101  
1 1 1 13  8  1  f 148.4764 2.237635  219.5550       6.617752  232.1471       9.908772  209.4158       8.891485  7.641571       4.475270  
1 1 1 13  8  2  o 67.85234 1.161612  45.79264       1.569613  43.43946       2.105392  48.73703       2.355069  -3.901978      2.323224  
1 1 1 13  8  3  o 177.4001 2.649967  314.8351       9.395199  321.9629       13.60249  308.3327       12.99215  3.831207       5.299933  
1 1 1 13  8  4  f 245.8076 3.640717  604.9041       17.87652  622.4147       26.06201  589.3452       24.56664  6.689377       7.281435  
1 1 1 13  8  5  o 156.0946 2.346515  243.9154       7.325070  242.5216       10.28853  245.3482       10.43138  -0.9029846     4.693030  
1 1 1 13  8  6  o 254.0742 3.760151  647.5403       19.10707  646.5928       26.97674  648.4941       27.06645  -0.3715668     7.520302  
1 1 1 13  8  7  o 225.2150 4.724599  508.5085       21.28102  508.5085       21.28102  ?              ?         ?              ?         
1 1 1 13  8  8  o 106.0335 1.619764  109.2340       3.353101  98.59129       4.225926  127.3227       5.509324  -13.53159      3.239528  
1 1 1 13  8  9  o 183.6190 2.725046  337.2516       9.995780  346.8050       14.56223  328.7397       13.74544  4.901855       5.450092  
1 1 1 13  8  10 o 307.4063 4.535173  949.0494       27.87589  937.9637       38.90884  960.7405       39.95699  -3.667236      9.070346  
1 1 1 13  8  11 o 156.4590 2.024300  244.4957       5.961641  246.6149       10.38312  243.4536       7.281496  0.9584656      4.048599  
1 1 1 13  8  12 o 124.3448 1.336983  154.6833       3.324884  155.0679       4.717656  154.3039       4.686687  0.3068237      2.673965  
1 1 1 13  8  13 o 363.9664 3.790267  1328.996       27.57848  1351.130       39.71090  1308.376       38.32948  5.825165       7.580535  
1 1 1 13  8  14 o 154.2443 1.634800  237.9950       5.041543  241.5365       7.241054  234.6631       7.023555  2.224625       3.269600  
1 1 1 13  8  15 o 36.75617 0.5977875 13.21225       0.4344858 16.12216       0.6728842 11.13143       0.5690074 6.788322       1.195575  
1 1 1 13  8  16 o 72.77116 0.8481653 52.73902       1.230404  50.30373       1.660830  55.70157       1.831818  -3.707191      1.696331  
1 1 1 13  8  17 o 86.36613 0.9717872 73.99616       1.668074  69.43954       2.214271  79.97518       2.536437  -6.095741      1.943574  
1 1 1 13  8  18 o 118.4739 1.281488  139.8404       3.025946  147.4183       4.510714  133.6398       4.080260  5.807869       2.562976  
1 1 1 13  8  19 o 83.47896 0.9493787 69.58387       1.582868  67.38548       2.170437  72.08147       2.313426  -2.810669      1.898757  
1 1 1 13  8  20 o 115.4955 1.360221  132.9564       3.090158  130.5616       4.004620  136.4810       4.858359  -2.543961      2.720442  
1 1 1 13  8  21 o 14.82172 0.7818286 2.169374       0.2302037 1.883963       0.3071460 2.535197       0.3477331 -2.196319      1.563657  
1 1 1 13  8  22 f 53.79408 0.7028866 28.42263       0.7482988 32.67683       1.165906  25.44266       0.9757990 6.721066       1.405773  
1 1 1 13  8  23 o 83.21004 0.9466801 69.28117       1.575465  69.34731       2.229156  69.21516       2.226933  0.7935333E-01  1.893360  
1 1 1 13  8  24 o 61.83673 0.7639021 37.99622       0.9405695 40.97173       1.413648  35.63267       1.259918  4.313747       1.527804  
1 1 1 13  8  25 o 72.52820 0.8541725 52.62345       1.238796  53.39687       1.773165  51.88603       1.731426  1.040398       1.708345  
1 1 1 13  8  26 o 37.51917 0.6136826 14.06416       0.4601378 14.85328       0.6631403 13.33145       0.6389973 2.027561       1.227365  
1 1 1 13  8  27 o 45.22036 0.6502550 20.44749       0.5879273 21.07258       0.8425622 19.85431       0.8207756 1.346443       1.300510  
1 1 1 13  8  28 o 141.7807 1.519717  201.6097       4.309300  201.1425       6.079856  202.0814       6.108788  -0.3291473     3.039435  
1 1 1 13  8  29 f 119.0208 1.293627  141.9641       3.078968  143.1937       4.396858  140.7810       4.312990  1.008301       2.587254  
1 1 1 13  8  30 f 61.21365 0.7630885 37.50299       0.9342164 37.66142       1.325326  37.34652       1.317076  0.2568741      1.526177  
1 1 1 13  8  31 o 58.95398 1.012395  34.67503       1.155280  35.35277       1.897334  34.27570       1.456390  0.8886909      2.024791  
1 1 1 13  8  32 o 30.21548 0.9848347 9.062648       0.5912945 9.859982       0.9005717 8.458463       0.7839409 2.311861       1.969669  
1 1 1 13  8  33 o 125.7425 1.365545  158.4614       3.430055  154.1434       4.714450  163.3179       4.999775  -3.620789      2.731090  
1 1 1 13  8  34 o 84.54999 1.352836  71.55535       2.281925  68.96325       3.098768  74.62634       3.372888  -3.320930      2.705673  
1 1 1 13  8  35 o 11.77933 1.182683  1.383301       0.2525239 0.7591859      0.3300238 2.264829       0.3922214 -6.509531      2.365367  
1 1 1 13  8  36 o 65.17287 0.8140703 42.33711       1.057516  45.08067       1.576594  40.09312       1.425849  3.814793       1.628141  
1 1 1 13  8  37 o 26.19331 0.6814196 6.879944       0.3557956 7.578204       0.5059915 6.197039       0.5003970 2.636087       1.362839  
1 1 1 13  8  38 o 43.21130 0.8077776 19.03418       0.6733004 20.06315       0.8599442 17.40413       1.082347  3.096394       1.615555  
1 1 1 13  8  39 o 37.98936 0.8710682 14.45401       0.6599028 14.27293       0.8970660 14.66758       0.9741836 -0.5112572     1.742136  
1 1 1 13  8  40 o 62.68793 0.9530180 39.46041       1.143869  39.33147       1.916285  39.53178       1.425736  -0.2210693     1.906036  
1 1 1 13  8  41 o 80.46425 0.9521978 64.91399       1.531371  66.56918       2.214539  63.39721       2.119930  1.958649       1.904396  
1 1 1 13  8  42 o 31.98051 0.6884893 10.24494       0.4400108 10.82036       0.6280817 9.690338       0.6166151 1.765575       1.376979  
1 1 1 13  8  43 o 56.44662 0.7716905 31.92550       0.8708830 32.82798       1.251561  31.07835       1.212592  1.545048       1.543381  
1 1 1 13  8  44 o 50.16759 0.7434553 25.23688       0.7459438 25.13030       1.053914  25.34387       1.055937  -0.2125893     1.486911  
1 1 1 13  8  45 o 52.86798 0.9473824 28.59767       0.9520961 29.87939       1.190902  26.32734       1.584979  3.424538       1.894765  
1 1 1 13  8  46 o 29.32219 1.053048  8.794785       0.5396740 8.350367       1.049331  8.954615       0.6292779 -1.113050      2.106096  
1 1 1 13  8  47 o 10.55750 1.748790  1.189085       0.3401470 1.246081       0.3998157 1.039730       0.6472148 1.106010       3.497579  
1 1 1 13  8  48 o 31.80857 0.7424077 10.15135       0.4721760 10.09554       0.6594959 10.21005       0.6763381 -0.1772366     1.484815  
1 1 1 13  8  49 o 22.49171 0.8461510 5.084704       0.3803615 5.307273       0.5382206 4.862645       0.5376047 0.9883041      1.692302  
1 1 1 13  8  50 o 47.54226 0.7586985 22.69551       0.7213785 22.44666       1.019138  22.94538       1.021231  -0.5241127     1.517397  
1 1 1 13  8  51 o 12.01754 4.046090  0.000000       0.000000  ?              ?         1.461011       1.151827  ?              ?         
1 1 1 13  9  0  o 72.54076 1.215477  52.62230       1.763182  53.48022       2.519422  51.79877       2.468393  1.158554       2.430954  
1 1 1 13  9  1  f 161.4933 2.425968  260.9457       7.831449  256.6300       10.86773  265.6078       11.29532  -2.772491      4.851936  
1 1 1 13  9  2  o 198.7830 2.959497  395.5499       11.75828  403.8093       17.00008  387.9748       16.28068  3.967499       5.918994  
1 1 1 13  9  3  f 169.0246 2.533415  285.0753       8.539402  298.8136       12.66851  273.6350       11.56048  7.426971       5.066829  
1 1 1 13  9  4  o 155.3153 2.338970  241.5173       7.265416  242.3548       10.31367  240.6924       10.23647  0.5337677      4.677941  
1 1 1 13  9  5  o 132.9814 2.022473  176.9359       5.377361  179.6740       7.721389  174.3573       7.493216  1.995331       4.044945  
1 1 1 13  9  6  o 152.9720 2.304599  234.2505       7.049890  232.1820       9.876383  236.3994       10.06643  -1.374985      4.609197  
1 1 1 13  9  7  o 205.7080 3.060093  422.8347       12.55933  440.5592       18.54859  407.8287       17.06693  7.920059       6.120186  
1 1 1 13  9  8  o 144.9584 2.193230  209.8553       6.345963  217.9023       9.333042  202.9359       8.654423  5.150681       4.386460  
1 1 1 13  9  9  o 338.3699 3.539953  1147.966       23.95104  1135.650       33.45803  1160.912       34.30148  -3.708649      7.079907  
1 1 1 13  9  10 f 182.9123 2.356814  334.3602       8.111804  333.0718       9.905741  336.9830       14.13361  -0.9841003     4.713629  
1 1 1 13  9  11 o 117.9592 1.781356  139.0528       4.197508  143.2206       6.118782  135.3479       5.768994  3.331421       3.562712  
1 1 1 13  9  12 o 126.7307 1.906126  159.9975       4.812405  169.0514       7.197873  152.6787       6.471470  6.446709       3.812253  
1 1 1 13  9  13 o 207.0480 3.065119  429.8109       12.69243  428.8276       17.90530  430.8040       17.99464  -0.4745789     6.130238  
1 1 1 13  9  14 o 172.0920 2.238941  292.0928       7.108024  308.2175       12.99546  285.2096       8.490664  6.580002       4.477882  
1 1 1 13  9  15 f 198.7161 2.086549  395.3889       8.292084  397.9774       11.80731  392.8699       11.64787  1.281433       4.173098  
1 1 1 13  9  16 f 145.4314 1.547916  211.5549       4.500250  208.0441       6.251850  215.3302       6.483075  -2.500809      3.095832  
1 1 1 13  9  17 o 143.1744 1.525962  205.1014       4.368445  207.7852       6.263856  202.5600       6.095416  1.821426       3.051925  
1 1 1 13  9  18 o 22.82322 0.6162696 5.198713       0.2763391 6.618002       0.4056611 3.969863       0.3774655 5.801159       1.232539  
1 1 1 13  9  19 o 36.71663 0.6050642 13.37752       0.4421291 12.46481       0.5905117 14.54191       0.6669778 -2.827812      1.210128  
1 1 1 13  9  20 o 43.09971 0.7029350 18.58842       0.5993170 18.52644       0.9170663 18.63462       0.7917911 -0.1270676     1.405870  
1 1 1 13  9  21 o 95.23273 1.060639  89.97545       2.006968  97.37128       3.056516  84.36993       2.660977  6.817162       2.121278  
1 1 1 13  9  22 o 95.55248 1.062799  91.36405       2.030941  92.04640       2.891436  90.69956       2.853311  0.7037964      2.125598  
1 1 1 13  9  23 o 99.37527 1.100893  97.74384       2.169132  107.0228       3.343121  90.99738       2.850633  8.048172       2.201787  
1 1 1 13  9  24 f 119.3434 1.293922  142.6223       3.088039  141.3542       4.326508  143.9392       4.408953  -1.079613      2.587844  
1 1 1 13  9  25 o 39.07613 0.6198802 15.25964       0.4840248 14.92846       0.6679956 15.62574       0.7023227 -0.8914833     1.239760  
1 1 1 13  9  26 o 80.20895 0.9240077 64.36097       1.481698  65.60285       2.131838  63.20043       2.060840  1.495010       1.848015  
1 1 1 13  9  27 o 139.0302 1.491484  193.7385       4.145478  190.6042       5.762993  197.0992       5.967539  -2.322159      2.982967  
1 1 1 13  9  28 o 11.18358 1.024030  1.279995       0.2240223 1.458812       0.3021863 1.061809       0.3337979 1.776443       2.048059  
1 1 1 13  9  29 o 91.33296 1.483593  83.68626       2.710005  83.64033       3.838182  83.73193       3.826894  -0.5101776E-01 2.967186  
1 1 1 13  9  30 o 96.35359 1.545101  92.08446       2.949175  100.9384       4.564813  85.74102       3.863814  7.826874       3.090203  
1 1 1 13  9  31 o 38.12117 0.6329060 14.51428       0.4820575 15.38731       0.6986370 13.72091       0.6659982 2.184418       1.265812  
1 1 1 13  9  32 o 107.7900 1.189145  116.5116       2.563552  116.4968       3.628971  116.5263       3.621860  -0.1429749E-01 2.378289  
1 1 1 13  9  33 o 53.56108 0.8835193 28.88293       0.9413083 26.73432       1.370113  30.80373       1.295445  -3.803551      1.767039  
1 1 1 13  9  34 o 37.01266 0.6423113 13.70125       0.4752448 13.35757       0.6597039 14.07202       0.6852171 -0.9638023     1.284623  
1 1 1 13  9  35 o 47.93043 0.6908054 22.91423       0.6607043 24.27951       0.9755023 21.75714       0.8980498 2.626492       1.381611  
1 1 1 13  9  36 o 39.06050 0.6568947 15.26120       0.5127749 14.91606       0.7085549 15.64073       0.7430186 -0.9253120     1.313789  
1 1 1 13  9  37 f 54.23555 0.7343813 29.44123       0.7962378 30.18019       1.147170  28.75428       1.106055  1.311325       1.468763  
1 1 1 13  9  38 f 79.42167 0.9377750 63.26075       1.489563  63.36953       2.114124  63.15351       2.099075  0.1343384      1.875550  
1 1 1 13  9  39 f 66.99203 0.8329750 44.99134       1.116044  44.86312       1.574367  45.12087       1.582312  -0.1915283     1.665950  
1 1 1 13  9  40 o 15.02876 1.174903  2.215177       0.3473195 1.983532       0.4447618 2.577224       0.5560297 -1.957412      2.349806  
1 1 1 13  9  41 o 35.97663 0.8087167 12.97127       0.5790190 13.04017       0.8638994 12.91507       0.7801961 0.1641579      1.617433  
1 1 1 13  9  42 o 28.12715 0.7074894 7.904126       0.3973682 7.485664       0.5439113 8.383150       0.5819413 -1.591398      1.414979  
1 1 1 13  9  43 o 28.43968 0.7168748 8.091138       0.4071541 7.811533       0.5577093 8.410215       0.5957799 -1.047916      1.433750  
1 1 1 13  9  44 o 39.33934 0.6950654 15.48893       0.5464265 14.88454       0.7547352 16.15473       0.7921492 -1.609814      1.390131  
1 1 1 13  9  45 o 38.01905 1.102976  14.32787       0.8295872 16.00928       1.293866  13.15412       1.081037  3.711517       2.205952  
1 1 1 13  9  46 o 50.61386 0.7570387 25.68255       0.7659604 25.15578       1.063249  26.25087       1.104385  -1.075607      1.514077  
1 1 1 13  9  47 o 43.95216 0.7342609 19.38322       0.6453948 19.38263       0.9069753 19.38383       0.9185876 0.5302429E-03  1.468522  
1 1 1 13  9  48 o 16.99155 1.002453  2.946195       0.3358258 3.333810       0.4605197 2.505964       0.4907824 2.442728       2.004905  
1 1 1 13  9  49 o 40.32247 0.7372741 16.31529       0.5944154 16.50525       0.8523538 16.13544       0.8293779 0.4544411      1.474548  
1 1 1 13  9  50 o 16.64025 1.043697  2.811629       0.3445050 3.043172       0.4718098 2.547193       0.5042098 1.498504       2.087393  
1 1 1 13  10 0  o 239.0074 3.543428  572.4597       16.92884  583.4435       24.42961  562.3126       23.48058  4.394302       7.086855  
1 1 1 13  10 1  o 136.1065 2.066936  185.2854       5.622797  181.7031       7.785218  189.1916       8.129630  -2.745255      4.133872  
1 1 1 13  10 2  o 159.5067 2.398339  253.6367       7.622847  267.2990       11.38071  242.5198       10.26594  7.745865       4.796678  
1 1 1 13  10 3  o 79.04669 1.301916  62.24060       2.052460  65.99621       3.045189  59.11432       2.778360  4.350258       2.603832  
1 1 1 13  10 4  o 67.56017 1.163553  45.61068       1.571149  46.90717       2.273194  44.42487       2.174006  1.836182       2.327105  
1 1 1 13  10 5  o 230.5668 3.421664  532.8470       15.77503  526.9086       22.03679  539.0885       22.59210  -2.626511      6.843328  
1 1 1 13  10 6  o 176.0436 2.634665  309.6596       9.257730  299.5561       12.62321  321.4184       13.61813  -6.188812      5.269331  
1 1 1 13  10 7  o 47.85793 0.9674527 22.90564       0.9259239 23.33143       1.317396  22.48996       1.301654  0.8790016      1.934905  
1 1 1 13  10 8  f 128.4943 1.965048  164.5960       5.033385  157.5439       6.795586  173.1671       7.491792  -6.067574      3.930096  
1 1 1 13  10 9  o 97.53249 1.543998  94.51667       2.995650  89.14953       3.994506  101.4149       4.528552  -6.280426      3.087996  
1 1 1 13  10 10 o 87.30601 0.9781967 75.90247       1.702122  72.41387       2.294744  80.16959       2.537908  -4.439499      1.956393  
1 1 1 13  10 11 o 23.99232 0.5461667 5.569387       0.2564524 7.526715       0.4017838 4.223724       0.3331414 6.883076       1.092333  
1 1 1 13  10 12 o 274.7024 2.869085  755.8287       15.75206  771.3107       22.78544  741.6561       21.80072  5.368713       5.738170  
1 1 1 13  10 13 o 259.7532 3.314224  679.4340       16.34141  684.8878       20.19854  669.1005       27.80310  3.306580       6.628448  
1 1 1 13  10 14 o 57.00299 0.9591184 32.42102       1.091606  33.87328       1.601546  31.16094       1.491817  2.377937       1.918237  
1 1 1 13  10 15 o 47.42687 0.8440698 22.23012       0.7944722 20.44533       1.047243  24.65000       1.219414  -4.431049      1.688140  
1 1 1 13  10 16 o 213.2956 2.755522  451.3064       10.90996  469.5252       19.65477  443.1931       13.11613  5.935013       5.511043  
1 1 1 13  10 17 o 126.2293 1.359431  159.0590       3.424896  165.4977       5.042286  153.5442       4.666572  4.727058       2.718863  
1 1 1 13  10 18 o 126.3794 1.360552  159.8533       3.438914  159.9314       4.862718  159.7752       4.864000  0.6182098E-01  2.721105  
1 1 1 13  10 19 o 135.6350 1.452392  184.0928       3.938583  186.9245       5.658707  181.4320       5.485333  2.020187       2.904784  
1 1 1 13  10 20 o 170.8540 1.808533  292.0910       6.172742  300.3607       8.992349  284.7220       8.488569  4.557159       3.617066  
1 1 1 13  10 21 o 85.49682 1.129494  73.14957       1.931164  72.50243       2.707699  73.81958       2.755074  -0.7690277     2.258987  
1 1 1 13  10 22 o 119.8222 1.298659  142.9917       3.098706  151.7227       4.649405  136.0142       4.156387  6.537430       2.597318  
1 1 1 13  10 23 o 85.58011 0.9713793 73.28568       1.662321  74.10268       2.377896  72.50480       2.324759  0.9319229      1.942759  
1 1 1 13  10 24 f 95.73995 1.067430  91.64652       2.041932  94.26439       2.967686  89.29293       2.813902  2.590744       2.134860  
1 1 1 13  10 25 f 101.5029 1.122342  103.0779       2.276848  105.5346       3.294633  100.8319       3.150123  2.310257       2.244683  
1 1 1 13  10 26 o 71.60399 0.8502377 51.29831       1.217263  50.54074       1.697162  52.10089       1.746852  -1.087563      1.700475  
1 1 1 13  10 27 o 92.89476 1.506849  86.23167       2.792452  82.27328       3.788164  90.94240       4.132514  -4.641846      3.013698  
1 1 1 13  10 28 o 96.31219 1.551166  93.08205       2.987910  93.03978       4.231375  93.12409       4.219736  -0.4470062E-01 3.102332  
1 1 1 13  10 29 o 39.91576 0.6414735 15.90649       0.5114927 16.94244       0.7430318 14.97343       0.7051720 2.465149       1.282947  
1 1 1 13  10 30 o 65.56297 0.8113247 42.97799       1.062952  44.29339       1.542510  41.78850       1.466827  1.906700       1.622649  
1 1 1 13  10 31 o 50.24660 0.6929346 25.18435       0.6950983 23.80064       0.9491817 26.78459       1.020750  -2.965916      1.385869  
1 1 1 13  10 32 f 71.37900 0.8584225 50.96400       1.224528  49.55255       1.691764  52.51722       1.774700  -2.071716      1.716845  
1 1 1 13  10 33 o 80.89574 0.9423565 65.57184       1.524650  65.56293       2.157904  65.58073       2.154463  -0.1126099E-01 1.884713  
1 1 1 13  10 34 o 44.44381 0.6739433 19.76768       0.5989039 19.48422       0.8357661 20.06689       0.8586537 -0.6541786     1.347887  
1 1 1 13  10 35 o 29.81664 0.6466572 8.890886       0.3853738 8.635336       0.5333929 9.169960       0.5574012 -0.8949966     1.293314  
1 1 1 13  10 36 o 53.58406 0.7304263 28.57526       0.7796970 30.80208       1.167827  26.78433       1.047308  3.739758       1.460853  
1 1 1 13  10 37 o 51.82147 0.7222119 26.89484       0.7484531 26.54267       1.049911  27.25876       1.067248  -0.6895027     1.444424  
1 1 1 13  10 38 o 12.54627 1.094394  1.634476       0.2650048 1.999779       0.3615441 1.210345       0.3895701 3.149755       2.188788  
1 1 1 13  10 39 o 39.48238 0.6738079 15.60092       0.5318241 16.15722       0.7658316 15.08277       0.7391060 1.358261       1.347616  
1 1 1 13  10 40 o 48.97021 0.7140707 23.98072       0.6985744 23.02687       0.9604487 25.05214       1.017921  -2.062168      1.428141  
1 1 1 13  10 41 o 49.37762 0.7897964 24.46689       0.7712718 24.59736       1.019088  24.29196       1.180005  0.3277931      1.579593  
1 1 1 13  10 42 o 48.58488 0.9617387 23.62178       0.9314468 22.75573       1.258328  24.67149       1.385342  -1.951992      1.923477  
1 1 1 13  10 43 o 15.29520 1.888410  2.242438       0.4161470 2.713239       1.068136  2.158187       0.4518505 1.295389       3.776820  
1 1 1 13  10 44 o 55.91268 0.9877669 31.18109       1.021755  30.80351       1.226793  32.03608       1.846080  -0.9948235     1.975534  
1 1 1 13  10 45 o 30.58636 0.7269964 9.383825       0.4445787 9.679851       0.6297814 9.089770       0.6276824 0.9643173      1.453993  
1 1 1 13  10 46 o 24.77366 0.7831170 6.162289       0.3874130 6.599598       0.5507818 5.734060       0.5450329 1.745966       1.566234  
1 1 1 13  10 47 o 56.79973 0.7969953 32.25258       0.9033706 30.26188       1.229126  34.59118       1.332209  -3.792850      1.593991  
1 1 1 13  10 48 o 12.74007 1.334392  1.678178       0.3175789 1.094461       0.4332702 2.355900       0.4668568 -5.101352      2.668783  
1 1 1 13  10 49 o 9.604845 1.616263  0.9676363      0.3057651 0.8447453      0.4136350 1.115692       0.4540145 -1.333330      3.232527  
1 1 1 13  10 50 o 25.19220 1.553001  0.000000       0.000000  ?              ?         6.400581       0.7824700 ?              ?         
1 1 1 13  11 0  o 344.2683 5.085826  1191.106       34.99351  1167.893       48.42340  1216.479       50.62668  -6.967834      10.17165  
1 1 1 13  11 1  o 118.5553 1.827625  139.9702       4.316786  148.1915       6.455360  133.3199       5.805875  6.262703       3.655249  
1 1 1 13  11 2  o 106.3537 1.660910  112.7367       3.521937  118.5886       5.234831  107.8973       4.760440  5.020187       3.321819  
1 1 1 13  11 3  o 105.3091 1.648681  110.8176       3.468421  108.0449       4.770103  113.9279       5.052220  -2.789543      3.297361  
1 1 1 13  11 4  o 349.4493 5.164596  1228.568       36.09492  1225.413       50.90665  1231.757       51.18634  -0.8960266     10.32919  
1 1 1 13  11 5  o 160.8717 2.427425  258.2821       7.789332  270.7265       11.53377  247.8466       10.56184  7.091370       4.854850  
1 1 1 13  11 6  o 183.2457 2.742055  336.3378       10.04752  332.6172       14.04708  340.2355       14.37736  -2.070770      5.484110  
1 1 1 13  11 7  f 135.9025 2.071513  184.3415       5.616764  192.5202       8.298727  177.4278       7.629953  5.540176       4.143025  
1 1 1 13  11 8  o 103.6116 1.628487  107.2070       3.369088  103.7934       4.608661  111.1252       4.937542  -3.533157      3.256974  
1 1 1 13  11 9  o 82.39102 1.365432  67.90869       2.249814  68.58664       3.206153  67.25104       3.157832  0.8098984      2.730864  
1 1 1 13  11 10 o 185.0889 2.771012  342.8640       10.24575  334.2020       14.08904  352.5865       14.92655  -4.942886      5.542024  
1 1 1 13  11 11 o 18.44665 0.5304579 3.353183       0.1939204 2.802347       0.2585051 4.062095       0.2932608 -3.414373      1.060916  
1 1 1 13  11 12 o 105.5991 1.157426  111.2786       2.439314  107.5135       3.322975  115.6783       3.592149  -3.862465      2.314853  
1 1 1 13  11 13 o 56.25932 0.7164295 31.45111       0.8025126 29.60519       1.074835  33.77647       1.206367  -3.706093      1.432859  
1 1 1 13  11 14 o 162.6953 1.722793  264.7936       5.602510  259.9255       7.765330  270.0787       8.090992  -3.113251      3.445585  
1 1 1 13  11 15 o 130.0951 1.397653  169.3374       3.635746  167.4858       5.078222  171.2845       5.207664  -1.457428      2.795306  
1 1 1 13  11 16 o 107.8747 1.436086  115.9576       2.919694  114.9427       3.566612  118.0193       5.083586  -1.392334      2.872173  
1 1 1 13  11 17 o 30.59129 0.6978319 9.153867       0.4221219 7.930475       0.5499126 10.90880       0.6586294 -4.866671      1.395664  
1 1 1 13  11 18 o 89.80037 1.393930  80.62198       2.501062  82.95816       3.635471  78.52274       3.446187  2.464592       2.787861  
1 1 1 13  11 19 o 144.6786 1.897472  206.9355       5.084835  217.3155       9.217828  202.3954       6.096277  5.028305       3.794944  
1 1 1 13  11 20 o 43.56061 0.6430761 18.97062       0.5601081 19.47657       0.8029359 18.49107       0.7817150 1.130848       1.286152  
1 1 1 13  11 21 o 92.76894 1.501267  85.54383       2.769187  92.24022       4.199396  80.39153       3.683554  6.364525       3.002533  
1 1 1 13  11 22 o 47.26092 0.6620243 22.32677       0.6254057 21.83339       0.8669425 22.86213       0.9030782 -1.087597      1.324049  
1 1 1 13  11 23 o 78.46373 0.9105341 61.48320       1.426829  63.99936       2.087127  59.27547       1.955028  3.006142       1.821068  
1 1 1 13  11 24 o 80.25436 1.164939  63.63990       1.714079  66.65737       3.162980  62.38530       2.039525  2.611885       2.329878  
1 1 1 13  11 25 f 77.37785 1.315947  59.83421       2.032591  62.65206       2.989567  57.41192       2.771804  3.373367       2.631893  
1 1 1 13  11 26 o 12.03449 1.637739  1.764962       0.2840614 1.913058       0.3126797 1.065217       0.6796682 3.582062       3.275479  
1 1 1 13  11 27 o 93.44551 1.050417  87.37708       1.961719  85.43762       2.712816  89.50288       2.840141  -2.168434      2.100833  
1 1 1 13  11 28 o 29.77778 0.6412554 8.647404       0.3763434 11.01922       0.5835550 6.958480       0.4924320 6.815260       1.282511  
1 1 1 13  11 29 o 57.76132 0.7502222 33.38918       0.8665602 33.10060       1.213689  33.68927       1.237665  -0.5085335     1.500444  
1 1 1 13  11 30 o 44.66409 0.8663335 19.93282       0.7726938 19.21934       1.057701  20.74940       1.131541  -1.708584      1.732667  
1 1 1 13  11 31 o 19.38345 0.7320498 3.737809       0.2826448 3.514120       0.3794494 4.016620       0.4236303 -1.293941      1.464100  
1 1 1 13  11 32 o 64.28333 0.8021086 41.11060       1.027153  38.45162       1.379475  44.41914       1.538774  -4.631710      1.604217  
1 1 1 13  11 33 o 72.17401 0.8686406 52.16110       1.253525  51.16919       1.747983  53.21130       1.798604  -1.410973      1.737281  
1 1 1 13  11 34 o 52.44500 0.7187920 27.51954       0.7535560 26.83124       1.045430  28.26391       1.087173  -1.363029      1.437584  
1 1 1 13  11 35 o 24.67357 0.6799670 6.095651       0.3354192 6.325328       0.4771161 5.871216       0.4716401 0.9198532      1.359934  
1 1 1 13  11 36 o 86.24124 0.9986960 74.60011       1.722383  75.04333       2.457151  74.17197       2.415029  0.5005493      1.997392  
1 1 1 13  11 37 o 53.52015 0.7367755 28.69479       0.7885839 28.86178       1.123578  28.53268       1.107057  0.3059921      1.473551  
1 1 1 13  11 38 o 43.19707 0.6900892 18.69276       0.5961894 18.70604       0.8453385 18.67962       0.8409570 0.3018188E-01  1.380178  
1 1 1 13  11 39 o 34.39957 0.6755110 11.84208       0.4644321 12.46512       0.6678258 11.25852       0.6463147 1.751812       1.351022  
1 1 1 13  11 40 o 77.80359 0.9307156 60.73942       1.448117  60.01337       2.030582  61.49083       2.065766  -0.9447098     1.861431  
1 1 1 13  11 41 f 34.35303 0.6924533 11.81360       0.4753908 12.48564       0.6834587 11.18370       0.6616784 1.892635       1.384907  
1 1 1 13  11 42 o 27.90992 1.215770  7.854079       0.6759370 7.750796       0.9978879 7.941646       0.9188362 -0.3585033     2.431540  
1 1 1 13  11 43 f 15.04353 1.173287  2.215522       0.3466788 1.963574       0.4422031 2.617349       0.5584522 -2.148803      2.346573  
1 1 1 13  11 44 o 15.66080 1.112779  2.495935       0.3396694 3.200914       0.4874480 1.830493       0.4735822 4.372503       2.225559  
1 1 1 13  11 45 o 27.96987 0.7465588 7.843256       0.4174970 7.657195       0.5818546 8.040706       0.5993959 -0.6829605     1.493118  
1 1 1 13  11 46 o 58.33353 0.8063867 34.16886       0.9407476 33.81947       1.330817  34.51782       1.330019  -0.5987244     1.612773  
1 1 1 13  11 47 o 9.947779 1.587094  1.062814       0.3090001 1.245153       0.4194418 0.8464085      0.4569478 1.950837       3.174189  
1 1 1 13  11 48 o 17.91745 0.9568150 3.207894       0.3416207 2.953216       0.4601156 3.520752       0.5099711 -1.572048      1.913630  
1 1 1 13  11 49 o 33.39934 0.8453235 11.16622       0.5589250 10.91298       0.7358706 11.51152       0.8592796 -0.8706245     1.690647  
1 1 1 13  12 0  o 271.2859 4.016053  738.2805       21.77949  751.7396       31.38987  725.7860       30.24381  4.745789       8.032105  
1 1 1 13  12 1  o 168.3896 2.529716  282.7573       8.488557  270.5485       11.43547  297.7402       12.66822  -8.047882      5.059431  
1 1 1 13  12 2  o 352.3703 5.210762  1249.086       36.70212  1272.384       52.96407  1227.564       50.90633  6.267212       10.42152  
1 1 1 13  12 3  f 129.4959 1.985059  167.8045       5.140076  170.3529       7.361136  165.3796       7.180556  1.917099       3.970118  
1 1 1 13  12 4  o 314.4883 4.652395  994.1494       29.25401  1007.880       41.97980  981.1872       40.78876  4.193817       9.304790  
1 1 1 13  12 5  o 76.52220 1.295215  58.58273       1.982230  58.82263       2.800540  58.34188       2.806062  0.3141861      2.590430  
1 1 1 13  12 6  o 197.8157 2.952355  391.4760       11.66181  404.8034       17.08003  379.8373       15.96133  6.279297       5.904709  
1 1 1 13  12 7  o 127.1363 1.951594  161.7504       4.961020  164.1280       7.116900  159.5031       6.919159  1.815109       3.903189  
1 1 1 13  12 8  o 44.82695 1.009659  19.78065       0.8978515 23.38423       1.369633  17.06509       1.188957  7.046505       2.019317  
1 1 1 13  12 9  o 110.3210 1.724413  121.3912       3.794605  127.4159       5.620181  116.3439       5.144127  5.009323       3.448825  
1 1 1 13  12 10 o 176.2784 2.646785  311.4156       9.331192  312.6034       13.25155  310.2474       13.14173  0.6650238      5.293569  
1 1 1 13  12 11 f 233.6611 2.451998  546.9577       11.45710  552.3595       16.36928  541.7703       16.04127  2.256592       4.903995  
1 1 1 13  12 12 f 73.36790 0.8585017 53.81390       1.259288  54.88279       1.810402  52.81194       1.752799  1.410667       1.717003  
1 1 1 13  12 13 o 172.6776 1.824640  296.1959       6.259387  279.4623       8.297909  318.2889       9.534601  -11.21165      3.649281  
1 1 1 13  12 14 f 99.04728 1.094276  98.14380       2.167482  97.46657       3.039771  98.84424       3.091448  -0.6945953     2.188553  
1 1 1 13  12 15 o 58.77302 0.7375219 34.30633       0.8632595 37.22252       1.295830  31.97946       1.157512  4.458782       1.475044  
1 1 1 13  12 16 o 166.2826 1.760817  276.8925       5.855309  279.0770       8.349807  274.7790       8.213197  1.288177       3.521634  
1 1 1 13  12 17 o 104.3624 1.146694  108.9851       2.393200  108.1499       3.356402  109.8488       3.413306  -0.8125916     2.293389  
1 1 1 13  12 18 o 150.1739 1.943200  227.3504       5.568861  230.4446       6.934468  221.7305       9.345526  3.006180       3.886401  
1 1 1 13  12 19 o 102.0905 1.568219  104.3961       3.201774  105.2794       4.561447  103.5383       4.495265  0.8501053      3.136437  
1 1 1 13  12 20 o 66.43565 1.088697  43.73627       1.436573  47.88828       2.194203  40.62127       1.900537  5.459904       2.177395  
1 1 1 13  12 21 o 29.14368 0.6561040 8.518641       0.3787289 8.334856       0.5737724 8.660535       0.5041613 -0.5602341     1.312208  
1 1 1 13  12 22 o 84.55818 1.209450  71.27445       1.899250  72.48624       3.400695  70.72516       2.289599  0.9958115      2.418899  
1 1 1 13  12 23 o 122.7385 1.906869  151.2121       4.679632  153.2626       6.713170  149.2738       6.526765  1.610786       3.813739  
1 1 1 13  12 24 o 22.65482 1.003426  5.370208       0.3610080 5.531149       0.4058895 4.760816       0.7898098 1.716120       2.006852  
1 1 1 13  12 25 o 44.28879 0.6537009 19.62355       0.5789044 19.51280       0.8092391 19.73963       0.8284894 -0.2554893     1.307402  
1 1 1 13  12 26 f 88.54356 1.006477  78.43324       1.781021  76.53654       2.461888  80.51585       2.579729  -2.241081      2.012954  
1 1 1 13  12 27 o 58.03490 0.7524934 33.55960       0.8708342 31.85591       1.177579  35.61583       1.293683  -3.234638      1.504987  
1 1 1 13  12 28 o 108.0788 1.192896  117.0423       2.577873  115.4981       3.596883  118.6733       3.696483  -1.462090      2.385792  
1 1 1 13  12 29 o 34.14880 0.7441334 11.70112       0.5068939 10.83769       0.7220358 12.54021       0.7117867 -2.493305      1.488267  
1 1 1 13  12 30 o 81.17563 0.9474820 66.00089       1.538014  65.40871       2.152792  66.61826       2.198075  -0.7420120     1.894964  
1 1 1 13  12 31 o 26.87337 0.6602560 7.226244       0.3536358 8.061917       0.5080115 6.440572       0.4925785 3.015867       1.320512  
1 1 1 13  12 32 o 44.34206 0.6788394 19.57170       0.6002641 21.28248       0.8905690 18.14743       0.8125839 3.530617       1.357679  
1 1 1 13  12 33 o 28.16636 0.6509284 7.913938       0.3658583 7.225274       0.5021429 8.693169       0.5341420 -2.603825      1.301857  
1 1 1 13  12 34 o 82.67644 0.9651076 68.30744       1.591637  71.63529       2.356313  65.51488       2.158503  3.681602       1.930215  
1 1 1 13  12 35 o 43.83121 0.6809669 19.21212       0.5962956 19.78839       0.8681858 18.69753       0.8204187 1.240856       1.361934  
1 1 1 13  12 36 o 13.72569 1.000546  1.898887       0.2581325 1.123186       0.3474389 2.854610       0.3856536 -6.302972      2.001091  
1 1 1 13  12 37 o 23.80698 0.7049261 5.679294       0.3354527 5.719884       0.4675414 5.636229       0.4815733 0.1769676      1.409852  
1 1 1 13  12 38 o 8.179312 1.471710  0.7081361      0.2461519 0.8940583      0.3394753 0.5020135      0.3574419 2.152614       2.943421  
1 1 1 13  12 39 o 58.31982 0.7797954 33.98780       0.9076335 35.71969       1.337636  32.51005       1.235602  2.740337       1.559591  
1 1 1 13  12 40 o 39.26942 1.122206  15.25432       0.8723996 17.24876       1.357134  13.84978       1.138883  4.291367       2.244411  
1 1 1 13  12 41 o 12.46255 1.251353  1.563656       0.3032906 1.560226       0.3861327 1.569181       0.4900351 -0.1425266E-01 2.502707  
1 1 1 13  12 42 o 29.61338 0.7142379 8.748184       0.4218350 7.935893       0.5754716 9.691536       0.6201617 -2.958651      1.428476  
1 1 1 13  12 43 o 35.30655 0.6981412 12.49072       0.4928454 12.23658       0.6872865 12.75975       0.7071138 -0.7383804     1.396282  
1 1 1 13  12 44 o 61.97486 0.9852297 38.22712       1.160747  37.38827       1.426733  39.86932       1.996237  -1.891415      1.970459  
1 1 1 13  12 45 o 47.17001 0.9604375 22.32592       0.9049124 23.93654       1.312127  20.86505       1.249637  3.242912       1.920875  
1 1 1 13  12 46 o 27.75830 0.8433949 7.603414       0.4595662 7.078842       0.5875892 8.429837       0.7375176 -2.405615      1.686790  
1 1 1 13  12 47 o 46.31281 0.7492918 21.30806       0.6900747 23.66815       1.046313  19.49115       0.9180452 4.486935       1.498584  
1 1 1 13  12 48 o 8.073654 1.674286  0.6194949      0.3487262 1.166229       0.4607405 -0.1137904     0.5335863 4.867048       3.348573  
1 1 1 13  12 49 o 14.49608 3.321028  0.000000       0.000000  ?              ?         2.265705       0.9426548 ?              ?         
1 1 1 13  13 0  f 265.1933 3.930367  705.1348       20.82253  687.4453       28.64312  724.9610       30.32370  -7.013031      7.860734  
1 1 1 13  13 1  o 121.3850 1.872236  147.3601       4.542232  144.4232       6.288151  150.5646       6.568381  -2.524864      3.744472  
1 1 1 13  13 2  o 296.3264 4.386296  882.4466       25.99212  874.9551       36.40966  890.2323       37.11738  -2.548645      8.772592  
1 1 1 13  13 3  o 155.0042 2.340736  240.6157       7.256329  239.8423       10.22306  241.4011       10.30138  -0.5010834     4.681472  
1 1 1 13  13 4  o 258.4218 3.832821  670.3129       19.80317  661.0739       27.58576  680.1370       28.44586  -3.655670      7.665642  
1 1 1 13  13 5  o 80.52882 1.336296  64.37953       2.140913  69.69796       3.236029  60.23967       2.855051  5.867371       2.672593  
1 1 1 13  13 6  o 75.63647 1.284487  57.23725       1.943057  57.26190       2.741448  57.21237       2.754393  0.3292084E-01  2.568973  
1 1 1 13  13 7  o 136.3697 2.082316  186.1204       5.676778  183.1720       7.888877  189.2866       8.175127  -2.235397      4.164633  
1 1 1 13  13 8  o 70.58419 1.230484  49.59681       1.730750  47.09830       2.330347  52.67042       2.584661  -3.943604      2.460968  
1 1 1 13  13 9  o 110.8526 1.737047  122.2032       3.831811  130.7665       5.778997  115.4846       5.118855  6.879318       3.474094  
1 1 1 13  13 10 o 145.3128 2.209588  211.4108       6.418828  215.1758       9.243081  207.9038       8.920686  2.493256       4.419175  
1 1 1 13  13 11 o 118.4754 1.284054  140.3016       3.039908  143.9305       4.411626  137.0208       4.194729  2.912262       2.568108  
1 1 1 13  13 12 o 77.60560 0.8966477 59.76221       1.383116  56.15815       1.836985  64.47969       2.101668  -5.357834      1.793295  
1 1 1 13  13 13 o 134.0111 1.436493  179.7148       3.849327  177.7670       5.378864  181.7597       5.511085  -1.486633      2.872987  
1 1 1 13  13 14 o 79.58736 0.9131143 62.60300       1.440256  58.06163       1.889263  68.90430       2.225435  -6.806572      1.826229  
1 1 1 13  13 15 o 37.61785 0.5992730 14.13397       0.4502636 13.79407       0.6181262 14.51820       0.6572070 -0.9620323     1.198546  
1 1 1 13  13 16 o 37.60374 0.6034924 14.14446       0.4537980 14.46465       0.6427269 13.82618       0.6408121 0.8489189      1.206985  
1 1 1 13  13 17 o 110.6763 1.208912  121.5364       2.657108  114.1340       3.515769  131.3964       4.057654  -7.782990      2.417825  
1 1 1 13  13 18 o 91.77547 1.030565  84.29369       1.891590  84.78506       2.682118  83.80739       2.668162  0.5322647      2.061129  
1 1 1 13  13 19 o 46.67377 0.8698924 22.60200       0.7635999 19.25453       1.269399  24.50015       0.9558864 -5.627598      1.739785  
1 1 1 13  13 20 o 70.00670 1.239818  49.08130       1.735884  49.26058       2.451147  48.90090       2.458692  0.2572021      2.479635  
1 1 1 13  13 21 o 135.3465 2.962797  183.9945       8.020086  183.9945       8.020086  ?              ?         ?              ?         
1 1 1 13  13 22 o 100.2904 1.547424  100.8644       3.103827  101.1946       4.395728  100.5361       4.383245  0.3274994      3.094849  
1 1 1 13  13 23 o 92.38298 1.438336  85.57098       2.657556  85.65101       3.758599  85.49097       3.758103  0.8658600E-01  2.876673  
1 1 1 13  13 24 o 46.79951 0.6778851 21.80349       0.6325788 20.51702       0.8549188 23.36001       0.9403782 -3.034657      1.355770  
1 1 1 13  13 25 o 97.68832 1.091562  95.59378       2.132632  95.90091       3.025004  95.29029       3.007069  0.3115234      2.183124  
1 1 1 13  13 26 o 99.11453 1.106451  98.40897       2.193096  97.56145       3.075820  99.28542       3.127846  -0.8665619     2.212901  
1 1 1 13  13 27 f 63.60724 1.065610  40.46920       1.353962  39.29178       1.860155  41.79589       1.974543  -1.961349      2.131220  
1 1 1 13  13 28 o 98.39626 1.103462  96.35198       2.159419  90.93305       2.876674  103.3475       3.268466  -6.279549      2.206923  
1 1 1 13  13 29 o 61.90031 0.7847114 38.35363       0.9712536 37.94216       1.356368  38.78666       1.391423  -0.6802139     1.569423  
1 1 1 13  13 30 o 86.47085 0.9958383 74.85124       1.720827  76.83911       2.495043  73.04776       2.376515  2.183304       1.991677  
1 1 1 13  13 31 o 51.38039 0.7182680 26.31289       0.7362320 28.13560       1.089530  24.78123       0.9987606 3.258778       1.436536  
1 1 1 13  13 32 o 77.03156 0.9160024 59.46483       1.411123  59.16613       1.982001  59.77190       2.009544  -0.3908691     1.832005  
1 1 1 13  13 33 o 25.22595 0.6660179 6.346175       0.3348364 5.639527       0.4591873 7.148565       0.4893067 -2.988972      1.332036  
1 1 1 13  13 34 o 43.03127 0.6748587 18.46147       0.5794665 19.81161       0.8552243 17.31557       0.7878895 2.895370       1.349717  
1 1 1 13  13 35 o 64.50348 0.8150786 41.69633       1.051473  41.22755       1.481459  42.17222       1.492617  -0.7312012     1.630157  
1 1 1 13  13 36 o 26.97075 0.6752109 7.268230       0.3632736 8.046566       0.5269716 6.563405       0.5014696 2.747385       1.350422  
1 1 1 13  13 37 o 26.95189 0.6862188 7.262146       0.3695046 6.936880       0.5086671 7.625539       0.5376537 -1.274883      1.372438  
1 1 1 13  13 38 o 13.73070 1.793796  2.391761       0.3756594 1.251100       0.8022984 2.712059       0.4251429 -5.420357      3.587591  
1 1 1 13  13 39 o 58.66233 1.054910  34.82422       1.215719  36.03360       1.593289  33.13893       1.880843  2.511456       2.109821  
1 1 1 13  13 40 o 45.09236 0.7144865 20.28232       0.6427243 21.86105       0.9506578 18.95315       0.8722893 3.215237       1.428973  
1 1 1 13  13 41 o 18.77783 0.8454782 3.544481       0.3169564 3.673790       0.4407233 3.405954       0.4561633 0.7154675      1.690956  
1 1 1 13  13 42 o 20.61227 0.8344429 4.215012       0.3412383 3.544253       0.4583344 5.049233       0.5111403 -3.642834      1.668886  
1 1 1 13  13 43 f 42.13513 0.7195255 17.80411       0.6063408 17.70431       0.8557753 17.90472       0.8592257 -0.2373238     1.439051  
1 1 1 13  13 44 o 65.97752 0.8543383 43.53191       1.124091  46.05669       1.668643  41.43413       1.521005  3.477257       1.708677  
1 1 1 13  13 45 o 22.93419 0.8175863 5.272101       0.3745683 5.090272       0.5146190 5.476957       0.5462327 -0.8372955     1.635173  
1 1 1 13  13 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  13 47 o 48.82546 0.9835503 24.00876       0.9596272 24.13320       1.331890  23.87443       1.383836  0.2778664      1.967101  
1 1 1 13  13 48 o 25.92920 0.9686537 6.725619       0.4987290 6.441220       0.6610622 7.101346       0.7598246 -1.249384      1.937307  
1 1 1 13  14 0  f 221.2697 3.294214  491.1088       14.57725  488.3593       20.47780  493.9334       20.75569  -1.250183      6.588427  
1 1 1 13  14 1  o 128.2555 1.971533  163.6740       5.032369  155.1442       6.727767  174.5084       7.582306  -7.531487      3.943065  
1 1 1 13  14 2  o 191.5195 2.865126  367.6949       10.97429  369.0332       15.58422  366.3783       15.45654  0.6892090      5.730252  
1 1 1 13  14 3  o 66.20653 1.182770  43.84504       1.565802  43.54078       2.188515  44.16412       2.241183  -0.4700775     2.365541  
1 1 1 13  14 4  o 220.4605 3.284471  486.4650       14.45161  505.5616       21.27800  470.1130       19.68963  7.981720       6.568942  
1 1 1 13  14 5  o 133.1720 2.039706  177.5131       5.430912  180.3308       7.799856  174.8615       7.566403  2.048035       4.079411  
1 1 1 13  14 6  o 75.02373 1.285959  56.28920       1.928976  57.42195       2.769619  55.22210       2.688172  1.464859       2.571918  
1 1 1 13  14 7  f 175.3788 2.635626  308.0545       9.237782  301.7191       12.77264  315.0032       13.37668  -3.767548      5.271251  
1 1 1 13  14 8  o 177.3260 2.665216  315.2164       9.450676  318.7582       13.51446  311.8268       13.22092  1.944031       5.330431  
1 1 1 13  14 9  o 100.4727 1.602614  100.8690       3.215924  104.4158       4.699869  97.74633       4.409967  3.312332       3.205227  
1 1 1 13  14 10 o 152.7669 2.319645  233.5881       7.078746  227.4161       9.728381  240.5330       10.31946  -4.271835      4.639290  
1 1 1 13  14 11 o 59.85487 0.7427002 35.81282       0.8888046 36.80828       1.276111  34.87495       1.238645  1.614559       1.485400  
1 1 1 13  14 12 o 88.30855 0.9946437 77.97062       1.755709  76.60249       2.434358  79.45370       2.534568  -1.612633      1.989287  
1 1 1 13  14 13 o 131.4478 1.414483  172.9442       3.718039  171.3253       5.203777  174.6326       5.314163  -1.254990      2.828966  
1 1 1 13  14 14 o 108.1747 1.184674  117.0383       2.561512  114.9295       3.550163  119.3283       3.699498  -2.029343      2.369348  
1 1 1 13  14 15 o 93.48795 1.045699  86.24212       1.933847  79.75009       2.520500  95.53304       3.015269  -8.429031      2.091397  
1 1 1 13  14 16 f 134.8679 1.447946  181.8916       3.900603  176.9445       5.355800  187.4795       5.692121  -3.893036      2.895892  
1 1 1 13  14 17 o 66.27693 1.079841  43.68301       1.383231  45.06908       2.286557  42.88302       1.737136  1.631760       2.159682  
1 1 1 13  14 18 o 121.1184 1.886998  146.7487       4.560396  153.2453       6.731201  141.2366       6.200219  4.924652       3.773996  
1 1 1 13  14 19 o 19.59549 1.025697  3.517004       0.2978027 3.372071       0.3227696 4.346604       0.7722230 -2.471436      2.051394  
1 1 1 13  14 20 o 31.30795 0.5905577 9.749839       0.3686506 9.089666       0.4982240 10.54860       0.5480291 -2.328850      1.181115  
1 1 1 13  14 21 o 127.2461 1.376408  162.2746       3.502509  163.6695       4.995613  160.9261       4.912035  1.072968       2.752816  
1 1 1 13  14 22 o 120.6700 1.424153  145.6604       3.388537  144.0374       4.423681  147.9650       5.271185  -1.572433      2.848307  
1 1 1 13  14 23 o 187.4249 2.437966  352.7431       8.572598  350.0968       10.43316  358.2426       15.04053  -1.634460      4.875931  
1 1 1 13  14 24 o 85.59395 1.348997  73.10903       2.300485  69.68542       3.094762  77.33707       3.439179  -4.445351      2.697994  
1 1 1 13  14 25 o 77.59328 1.241572  60.15669       1.921986  57.75029       2.609593  63.00953       2.841371  -3.373199      2.483144  
1 1 1 13  14 26 o 80.91869 1.118633  66.36191       1.760736  62.22863       2.791994  69.09117       2.268763  -4.274750      2.237267  
1 1 1 13  14 27 f 51.57672 0.7121792 26.13483       0.7267020 23.39059       0.9465434 30.07455       1.134129  -6.470501      1.424358  
1 1 1 13  14 28 o 59.21599 0.7682235 34.94613       0.9070472 37.10981       1.348537  33.15852       1.225753  3.329723       1.536447  
1 1 1 13  14 29 o 55.80658 0.7441316 31.09975       0.8291177 29.85451       1.132677  32.53719       1.216953  -2.398708      1.488263  
1 1 1 13  14 30 o 48.02779 0.7020239 23.09138       0.6742759 22.91588       0.9461816 23.27247       0.9611348 -0.3703537     1.404048  
1 1 1 13  14 31 o 88.65808 1.021534  78.48333       1.805663  74.83672       2.439351  82.90318       2.685552  -4.525818      2.043068  
1 1 1 13  14 32 o 25.36324 0.6885550 6.382110       0.3475586 5.833071       0.4644442 7.080892       0.5239650 -2.455658      1.377110  
1 1 1 13  14 33 o 70.41916 0.8664793 49.49788       1.216827  47.15689       1.646664  52.31401       1.806067  -3.646866      1.732959  
1 1 1 13  14 34 f 7.374664 1.479350  0.5641475      0.2373644 0.7443359      0.3225480 0.3512932      0.3505677 2.119824       2.958700  
1 1 1 13  14 35 o 21.54386 0.7282290 4.596809       0.3105000 3.749503       0.4173168 5.647566       0.4647258 -4.400766      1.456458  
1 1 1 13  14 36 o 12.95111 1.709163  1.550857       0.3388790 2.035888       0.8232632 1.451909       0.3718423 1.858052       3.418326  
1 1 1 13  14 37 o 31.54854 1.220750  10.00606       0.7683644 10.09475       1.129068  9.929553       1.048646  0.2480373      2.441500  
1 1 1 13  14 38 f 55.92920 0.7660636 31.14184       0.8535014 33.79829       1.278650  29.00708       1.146242  4.268417       1.532127  
1 1 1 13  14 39 o 63.49699 0.8230196 40.42826       1.045000  39.61405       1.461674  41.27954       1.494581  -1.307133      1.646039  
1 1 1 13  14 40 o 10.10229 1.387555  1.094577       0.2705264 1.475890       0.3748868 0.6802652      0.3907717 4.020732       2.775109  
1 1 1 13  14 41 f 18.71615 0.8566523 3.523599       0.3198564 3.776288       0.4496054 3.264655       0.4551360 1.367661       1.713305  
1 1 1 13  14 42 f 37.45065 0.7022002 14.05197       0.5257453 14.47979       0.7564938 13.65230       0.7311841 1.101372       1.404400  
1 1 1 13  14 43 o 18.23605 0.8999508 3.352988       0.3262900 3.778615       0.4621128 2.929818       0.4607776 2.327009       1.799902  
1 1 1 13  14 44 o 26.21732 0.7591397 6.898505       0.3978202 7.215080       0.5658235 6.589035       0.5594364 1.192871       1.518279  
1 1 1 13  14 45 f 32.98523 0.7364139 10.88622       0.4850384 11.74853       0.7065704 10.11771       0.6670314 2.465466       1.472828  
1 1 1 13  14 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  14 47 o 14.77924 1.331202  2.170847       0.3898970 1.878279       0.5130656 2.570753       0.5998434 -2.314549      2.662404  
1 1 1 13  15 0  o 119.1308 1.288169  141.3883       3.058694  149.0719       4.558443  135.0958       4.125223  5.859436       2.576339  
1 1 1 13  15 1  o 348.7554 3.650641  1221.259       25.45574  1206.671       35.48144  1236.733       36.54168  -4.264801      7.301283  
1 1 1 13  15 2  o 183.5818 2.754891  337.7506       10.11122  333.1258       14.07379  342.6844       14.53626  -2.588135      5.509781  
1 1 1 13  15 3  o 38.55173 1.014188  14.83982       0.7812401 14.14221       1.078050  15.61136       1.133733  -1.904736      2.028376  
1 1 1 13  15 4  o 41.52687 1.002177  17.22129       0.8315427 16.57427       1.145681  17.94158       1.208815  -1.645473      2.004353  
1 1 1 13  15 5  o 142.0916 2.167230  201.3612       6.136119  192.3834       8.262354  212.4027       9.162915  -7.017670      4.334460  
1 1 1 13  15 6  o 179.6096 2.699591  323.5115       9.695854  320.4270       13.56603  326.7324       13.86280  -1.743546      5.399182  
1 1 1 13  15 7  o 133.1262 2.044816  177.1450       5.434335  171.2699       7.419328  183.9453       7.982116  -4.742844      4.089632  
1 1 1 13  15 8  o 107.9998 1.705269  116.7540       3.682347  118.3865       5.283002  115.2114       5.135385  1.465904       3.410537  
1 1 1 13  15 9  o 141.3126 2.162393  199.4908       6.095502  191.7806       8.269008  208.6664       9.020635  -5.947464      4.324786  
1 1 1 13  15 10 o 106.4642 1.167769  113.2805       2.483880  110.4574       3.419609  116.4335       3.613911  -2.802483      2.335538  
1 1 1 13  15 11 o 140.1386 1.500859  196.4718       4.203475  192.4425       5.812631  200.8890       6.086009  -3.005280      3.001719  
1 1 1 13  15 12 o 30.43113 0.5595837 9.208997       0.3395513 10.19984       0.5014626 8.370049       0.4614277 3.005945       1.119167  
1 1 1 13  15 13 o 149.1241 1.591166  222.6337       4.743247  219.0809       6.585096  226.4646       6.837976  -2.466125      3.182332  
1 1 1 13  15 14 o 85.64076 1.281032  73.90467       2.164237  70.34904       3.302543  76.58097       2.865221  -3.652946      2.562064  
1 1 1 13  15 15 o 69.61615 1.237370  48.38765       1.719444  46.43350       2.344012  50.66409       2.529939  -3.031761      2.474740  
1 1 1 13  15 16 o 139.0828 1.837198  194.8899       4.832688  196.6977       5.952085  191.3925       8.278666  2.043320       3.674396  
1 1 1 13  15 17 o 17.97842 0.5981486 3.226027       0.2145720 2.928144       0.2964805 3.553666       0.3109366 -1.739355      1.196297  
1 1 1 13  15 18 o 110.9190 1.214246  122.9843       2.689649  127.3113       3.935306  119.1912       3.684541  3.649246       2.428492  
1 1 1 13  15 19 o 55.31697 0.7190903 30.59083       0.7949741 29.93698       1.099233  31.30782       1.151085  -1.237511      1.438181  
1 1 1 13  15 20 o 75.78371 0.8897575 57.48726       1.348553  57.84681       1.914888  57.13345       1.899488  0.4700394      1.779515  
1 1 1 13  15 21 o 90.95242 1.027529  82.49691       1.863456  87.09268       2.769158  78.69340       2.519192  4.605316       2.055058  
1 1 1 13  15 22 o 133.5595 1.882039  179.1630       4.910925  178.7167       6.300973  179.8537       7.838199  -0.2802887     3.764078  
1 1 1 13  15 23 o 75.60309 0.8906487 57.22340       1.346662  57.62879       1.914933  56.82674       1.894173  0.5294495      1.781297  
1 1 1 13  15 24 o 42.50480 0.7384695 18.16537       0.6157777 18.52746       0.8010314 17.64227       0.9627966 1.047939       1.476939  
1 1 1 13  15 25 o 26.01645 0.6347196 6.790741       0.3283431 7.704931       0.4676184 5.901692       0.4611438 3.465322       1.269439  
1 1 1 13  15 26 o 13.53480 0.9410262 1.871586       0.2490746 2.254137       0.3457731 1.458992       0.3590938 2.938265       1.882052  
1 1 1 13  15 27 o 23.78229 0.7600137 5.663301       0.3597791 6.418793       0.5169309 4.953516       0.5010497 3.079756       1.520027  
1 1 1 13  15 28 o 51.68076 0.8265466 26.90322       0.8355336 25.99243       1.316031  27.51826       1.081452  -1.491501      1.653093  
1 1 1 13  15 29 o 18.08317 0.7529280 3.274117       0.2717158 3.268758       0.3720647 3.280243       0.3977480 -0.3010178E-01 1.505856  
1 1 1 13  15 30 o 87.67258 1.011405  76.61057       1.765354  72.50407       2.363994  81.78767       2.654328  -5.266617      2.022810  
1 1 1 13  15 31 o 44.46181 0.6893558 19.79176       0.6128534 19.60653       0.8558245 19.98672       0.8780124 -0.4259529     1.378712  
1 1 1 13  15 32 o 17.10767 0.8129290 2.940869       0.2770547 3.043121       0.3795231 2.824207       0.4053832 0.6420879      1.625858  
1 1 1 13  15 33 o 23.78655 0.7103200 5.668515       0.3368029 6.293269       0.4824102 5.074385       0.4704380 2.561132       1.420640  
1 1 1 13  15 34 o 13.77440 1.826795  2.379440       0.3689407 1.330792       0.8431319 2.627789       0.4103090 -4.825387      3.653589  
1 1 1 13  15 35 o 41.56931 1.134749  17.18744       0.9359242 18.73830       1.436903  16.04465       1.233461  3.208729       2.269497  
1 1 1 13  15 36 f 37.84505 0.6840257 14.34791       0.5176819 14.65214       0.7354451 14.04914       0.7288252 0.7960434      1.368051  
1 1 1 13  15 37 o 37.91162 0.6866322 14.32292       0.5191773 13.08797       0.7060560 15.77671       0.7660649 -3.540031      1.373264  
1 1 1 13  15 38 o 57.41343 0.7805067 33.04465       0.8959665 33.39694       1.285437  32.71178       1.249503  0.5922279      1.561013  
1 1 1 13  15 39 o 55.00924 0.7683212 30.31655       0.8447921 31.29025       1.220724  29.42162       1.170303  1.691677       1.536642  
1 1 1 13  15 40 o 16.67312 0.9295124 2.830183       0.3020662 3.600133       0.4308204 2.085676       0.4236422 4.540460       1.859025  
1 1 1 13  15 41 f 29.75775 0.7071036 8.863058       0.4204572 8.465511       0.5803304 9.302311       0.6100117 -1.402040      1.414207  
1 1 1 13  15 42 o 35.20127 0.7124159 12.39462       0.5008501 11.57520       0.6897172 13.30875       0.7284902 -2.456818      1.424832  
1 1 1 13  15 43 o 31.73317 0.7268074 10.10500       0.4611562 10.17540       0.6461217 10.03191       0.6583982 0.2280846      1.453615  
1 1 1 13  15 44 o 38.09050 0.7492002 14.58340       0.5694523 14.15865       0.8264219 14.96739       0.7857696 -1.068390      1.498400  
1 1 1 13  15 45 o 48.71223 0.9717085 23.83278       0.9456107 25.40129       1.370987  22.40949       1.305971  3.055618       1.943417  
1 1 1 13  15 46 o 48.66375 2.082065  0.000000       0.000000  ?              ?         24.03851       2.026421  ?              ?         
1 1 1 13  15 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  16 0  f 204.8040 2.153304  420.0131       8.816305  413.4137       12.25477  427.0930       12.69305  -3.326248      4.306607  
1 1 1 13  16 1  o 190.8473 2.011172  364.0791       7.663104  352.7969       10.47270  377.0815       11.24276  -6.339600      4.022345  
1 1 1 13  16 2  o 67.78853 0.8103318 45.79431       1.095534  43.81517       1.483540  48.16799       1.624702  -3.208847      1.620664  
1 1 1 13  16 3  f 115.3275 1.253783  133.0678       2.891354  131.7057       4.041932  134.4953       4.137736  -1.207535      2.507565  
1 1 1 13  16 4  o 98.62424 1.350127  98.78238       2.549444  102.6301       3.209535  92.20358       4.196750  5.306969       2.700254  
1 1 1 13  16 5  o 138.7696 2.128005  192.7532       5.900183  188.2940       8.130457  197.7141       8.575562  -3.378586      4.256009  
1 1 1 13  16 6  o 143.7912 2.195945  207.1585       6.313034  204.1480       8.792315  210.3623       9.070121  -2.150391      4.391891  
1 1 1 13  16 7  o 58.16790 0.7996950 33.94300       0.9191680 34.49674       1.215072  33.20219       1.405399  1.115582       1.599390  
1 1 1 13  16 8  o 110.4636 1.207480  122.1121       2.667471  123.1347       3.799491  121.1181       3.745830  0.9114685      2.414960  
1 1 1 13  16 9  o 106.8512 1.171597  114.0542       2.499947  110.6000       3.424105  117.9974       3.658432  -3.455521      2.343193  
1 1 1 13  16 10 o 125.8639 1.358362  158.3806       3.415335  154.2012       4.695001  163.0780       4.977384  -3.517502      2.716723  
1 1 1 13  16 11 o 109.0741 1.721102  119.2137       3.754440  119.8525       5.334851  118.5868       5.284663  0.5780487      3.442205  
1 1 1 13  16 12 f 63.08927 1.173249  39.84417       1.480329  40.34092       2.098338  39.35197       2.088698  0.7834625      2.346498  
1 1 1 13  16 13 o 61.78005 0.9808670 38.36477       1.112984  38.62105       1.334591  37.77947       2.016866  0.7009125      1.961734  
1 1 1 13  16 14 o 73.65061 0.8632418 54.28106       1.271511  54.23178       1.789545  54.33131       1.806959  -0.6707764E-01 1.726484  
1 1 1 13  16 15 o 151.5384 1.616254  230.2063       4.898320  229.1922       6.893198  231.2407       6.961854  -0.6721344     3.232508  
1 1 1 13  16 16 o 60.62283 0.7558145 36.75050       0.9160911 37.67257       1.316225  35.88419       1.275817  1.473896       1.511629  
1 1 1 13  16 17 o 51.72106 0.6902213 26.71504       0.7130736 25.80737       0.9788194 27.74153       1.040920  -1.868011      1.380443  
1 1 1 13  16 18 o 48.88600 0.6710603 23.71552       0.6528678 22.00715       0.8718856 25.89600       0.9850206 -3.974075      1.342121  
1 1 1 13  16 19 o 45.23563 0.6516955 20.32779       0.5874410 22.35246       0.8766976 18.67804       0.7913733 4.058849       1.303391  
1 1 1 13  16 20 o 56.66879 0.7378085 31.77090       0.8298511 29.32575       1.094378  35.07900       1.272930  -5.069691      1.475617  
1 1 1 13  16 21 o 57.20997 0.7446397 32.73325       0.8515437 32.08664       1.180748  33.43406       1.229245  -1.175709      1.489279  
1 1 1 13  16 22 o 16.42866 0.7916151 2.823188       0.2485435 3.479990       0.3352318 2.021450       0.3703772 4.440475       1.583230  
1 1 1 13  16 23 o 70.56780 0.8503910 49.83900       1.199921  50.70540       1.719960  49.01748       1.674830  1.193710       1.700782  
1 1 1 13  16 24 o 46.28553 0.6734282 21.23142       0.6201807 23.65803       0.9363003 19.33454       0.8278197 4.665588       1.346856  
1 1 1 13  16 25 f 59.16517 0.7628863 34.75477       0.8982300 37.97227       1.355593  32.23644       1.199296  4.838921       1.525773  
1 1 1 13  16 26 o 69.91544 0.8504164 48.88811       1.188139  50.55144       1.724240  47.38421       1.639523  2.259750       1.700833  
1 1 1 13  16 27 o 5.929221 1.374108  0.3348559      0.1879634 0.3863672      0.2761827 0.2904101      0.2565431 0.6407294      2.748215  
1 1 1 13  16 28 o 60.28300 0.9117768 36.39954       1.061316  36.35447       1.336547  36.47645       1.746097  -0.6866074E-01 1.823554  
1 1 1 13  16 29 o 69.85196 1.425223  48.31199       1.833894  47.16824       2.188513  51.00868       3.360463  -2.587624      2.850446  
1 1 1 13  16 30 o 47.03643 0.8885778 22.10489       0.8340031 21.18078       1.133873  23.19413       1.231024  -2.131165      1.777156  
1 1 1 13  16 31 o 65.94204 0.8409857 43.10848       1.101460  47.56308       1.682913  39.77035       1.456831  5.887802       1.681971  
1 1 1 13  16 32 o 30.65870 1.022553  9.748242       0.5263186 8.849998       1.073329  10.03260       0.6039091 -1.982706      2.045106  
1 1 1 13  16 33 o 50.08118 1.176682  25.21044       1.178447  25.59376       1.663516  24.82428       1.669652  0.7691612      2.353364  
1 1 1 13  16 34 o 55.61761 0.7669060 30.95175       0.8523309 32.29758       1.236867  29.73475       1.176177  2.297661       1.533812  
1 1 1 13  16 35 o 28.38021 0.6977561 8.043380       0.3952562 7.662970       0.5385186 8.487637       0.5819586 -1.448608      1.395512  
1 1 1 13  16 36 o 37.46120 0.6814071 13.98593       0.5091277 15.14686       0.7543020 13.01446       0.6900156 2.839714       1.362814  
1 1 1 13  16 37 o 8.693007 1.502560  0.7936299      0.2593773 0.7767940      0.3640825 0.8109809      0.3696099 -0.1859617     3.005121  
1 1 1 13  16 38 o 35.34872 0.6981828 12.42240       0.4915268 13.98207       0.7331600 11.14905       0.6624531 3.998596       1.396366  
1 1 1 13  16 39 o 22.69383 0.7503007 5.164294       0.3404287 4.983724       0.4789019 5.348741       0.4840166 -0.8035393     1.500601  
1 1 1 13  16 40 o 57.84335 0.7943045 33.43089       0.9168465 31.44627       1.246990  35.76620       1.352683  -3.718288      1.588609  
1 1 1 13  16 41 o 28.99495 0.7313642 8.433300       0.4240685 8.500591       0.5967518 8.364653       0.6027400 0.2352924      1.462728  
1 1 1 13  16 42 o 47.15031 0.7463594 22.30512       0.7036198 22.48133       1.008851  22.13821       0.9818363 0.3593712      1.492719  
1 1 1 13  16 43 o 36.09995 0.8143589 13.06700       0.5843458 13.25786       0.8792778 12.91603       0.7820246 0.4558830      1.628718  
1 1 1 13  16 44 o 9.808811 1.621809  1.027673       0.4144813 -0.3893197     0.6606410 1.947494       0.5322714 -8.120877      3.243618  
1 1 1 13  16 45 o 19.89570 1.423283  3.986521       0.5663442 3.986521       0.5663442 ?              ?         ?              ?         
1 1 1 13  16 46 o 21.88248 2.109170  0.000000       0.000000  ?              ?         4.865263       0.9230773 ?              ?         
1 1 1 13  17 0  f 190.7257 2.011748  362.8726       7.645195  347.1934       10.29374  382.1610       11.41720  -9.128784      4.023495  
1 1 1 13  17 1  o 84.80312 0.9625822 71.75556       1.629197  69.13788       2.219261  74.81528       2.399324  -3.344376      1.925164  
1 1 1 13  17 2  f 102.0680 1.124404  104.1971       2.294438  102.5542       3.192194  105.9531       3.300149  -1.662773      2.248808  
1 1 1 13  17 3  o 101.7815 1.123684  103.6300       2.286810  105.1789       3.279623  102.1644       3.190302  1.478920       2.247368  
1 1 1 13  17 4  o 130.8019 1.408557  171.2644       3.684394  169.8275       5.162734  172.7557       5.259658  -1.116501      2.817115  
1 1 1 13  17 5  o 195.9155 2.065623  384.8151       8.093447  382.9737       11.38671  386.6952       11.50595  -0.9444580     4.131247  
1 1 1 13  17 6  o 95.80507 1.068822  91.82748       2.047571  93.10017       2.931180  90.61461       2.861484  1.295509       2.137644  
1 1 1 13  17 7  o 208.9332 2.700714  440.0916       10.68353  434.1671       18.27904  443.1654       13.16652  -2.474869      5.401427  
1 1 1 13  17 8  o 126.2043 1.957400  159.7009       4.940408  158.8882       6.946336  160.5327       7.027964  -0.6475067     3.914800  
1 1 1 13  17 9  o 113.1085 1.784875  127.8355       4.027730  122.7014       5.468911  133.9211       5.954111  -4.936127      3.569750  
1 1 1 13  17 10 o 146.3220 1.940845  212.7943       5.261595  209.5847       6.319973  220.0433       9.497922  -3.393265      3.881691  
1 1 1 13  17 11 o 57.09518 0.7240857 32.47518       0.8244877 30.86309       1.115874  34.41340       1.223555  -3.106621      1.448171  
1 1 1 13  17 12 o 67.42698 0.8098003 45.47923       1.091754  44.96613       1.523178  46.02133       1.565644  -0.7813263     1.619601  
1 1 1 13  17 13 o 142.9179 1.530859  204.7064       4.375451  206.1892       6.231632  203.2645       6.144921  1.018616       3.061719  
1 1 1 13  17 14 o 119.8551 1.303378  143.6992       3.120488  139.8380       4.287301  148.0491       4.550528  -3.412407      2.606757  
1 1 1 13  17 15 o 62.09908 0.7774720 38.44527       0.9633624 40.70722       1.423003  36.53142       1.308934  3.358421       1.554944  
1 1 1 13  17 16 o 34.76779 0.5934427 12.05009       0.4118117 13.15044       0.6017254 11.08063       0.5648057 2.975639       1.186885  
1 1 1 13  17 17 o 103.8758 1.148601  108.0008       2.384727  110.4511       3.447316  105.7523       3.302378  2.254005       2.297202  
1 1 1 13  17 18 o 55.22614 0.7211462 30.32662       0.7936442 32.85658       1.185557  28.27222       1.068338  4.146378       1.442292  
1 1 1 13  17 19 o 93.46257 1.136027  87.74038       2.118031  92.09621       2.942773  83.05875       3.050844  4.841217       2.272054  
1 1 1 13  17 20 o 41.05027 0.6428882 16.86500       0.5276688 17.32481       0.7463125 16.40537       0.7461603 1.119900       1.285776  
1 1 1 13  17 21 o 63.37778 0.7908538 40.16277       1.001615  39.15834       1.382696  41.27179       1.452906  -1.664169      1.581708  
1 1 1 13  17 22 o 39.34015 0.6323804 15.47910       0.4972823 15.24746       0.6898584 15.72965       0.7174811 -0.6117401     1.264761  
1 1 1 13  17 23 o 61.61182 0.7799560 37.99646       0.9608852 37.57271       1.342410  38.44168       1.376006  -0.7033615     1.559912  
1 1 1 13  17 24 o 113.9246 1.252910  130.1389       2.853816  132.2721       4.099705  128.1334       3.974993  1.805405       2.505821  
1 1 1 13  17 25 f 5.582286 1.267105  0.2449746      0.1830832 0.5244560      0.2624468 -0.1996822E-01 0.2555294 3.026508       2.534210  
1 1 1 13  17 26 o 39.89690 0.6483029 15.83369       0.5156666 17.51135       0.7640641 14.43031       0.6988209 3.857689       1.296606  
1 1 1 13  17 27 f 30.14305 0.6376147 9.077044       0.3839528 8.525247       0.5304218 9.684434       0.5564987 -1.921284      1.275229  
1 1 1 13  17 28 o 72.11475 0.8761085 52.08652       1.263010  51.07081       1.753760  53.18095       1.820439  -1.457085      1.752217  
1 1 1 13  17 29 f 9.017681 1.149158  0.8162034      0.2006223 1.049041       0.3042898 0.6371624      0.2668317 2.415368       2.298317  
1 1 1 13  17 30 o 20.69887 1.251373  4.269022       0.4200871 4.369282       0.9266677 4.243089       0.4712972 0.2433510      2.502745  
1 1 1 13  17 31 o 8.337444 2.645870  0.6925938      0.4946221 0.6925938      0.4946221 ?              ?         ?              ?         
1 1 1 13  17 32 f 58.45517 1.257254  34.63722       1.388157  35.20503       1.710907  33.54331       2.374742  1.528740       2.514508  
1 1 1 13  17 33 o 49.83517 0.7397405 24.88307       0.7372121 25.17760       1.052666  24.59956       1.032770  0.5779533      1.479481  
1 1 1 13  17 34 f 33.58277 0.6897185 11.27229       0.4626158 10.78265       0.6342293 11.82898       0.6762673 -1.553684      1.379437  
1 1 1 13  17 35 o 48.75894 0.7363348 23.64021       0.7151411 26.10029       1.070780  21.65931       0.9608514 4.542095       1.472670  
1 1 1 13  17 36 o 19.76349 0.7817426 3.917531       0.3089119 3.944621       0.4326338 3.889355       0.4412277 0.1409092      1.563485  
1 1 1 13  17 37 o 99.22618 1.134824  98.57307       2.242579  104.5025       3.362186  93.82097       3.009941  5.312096       2.269647  
1 1 1 13  17 38 o 13.16417 1.107329  1.770423       0.2846693 2.207887       0.4027104 1.333511       0.4024562 3.320994       2.214657  
1 1 1 13  17 39 o 15.53461 0.9653108 2.426377       0.2997455 2.515240       0.4233446 2.337042       0.4244660 0.5737581      1.930622  
1 1 1 13  17 40 o 48.44317 0.7778286 23.48368       0.7491366 24.11773       1.128870  22.98471       1.001422  1.149616       1.555657  
1 1 1 13  17 41 o 28.45392 0.7961527 8.205315       0.4482342 7.456599       0.6649045 8.829018       0.6068620 -2.421860      1.592305  
1 1 1 13  17 42 o 31.29662 0.8219079 9.791194       0.5123441 10.31388       0.7670764 9.370212       0.6884173 1.493259       1.643816  
1 1 1 13  17 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  17 44 o 36.50024 0.8910624 13.37925       0.6493678 14.52075       0.9356739 12.31856       0.9019441 3.009205       1.782125  
1 1 1 13  17 45 o 9.756033 2.641528  0.000000       0.000000  ?              ?         1.008377       0.5280572 ?              ?         
1 1 1 13  18 0  o 60.64570 0.7609851 36.29388       0.9142047 33.40158       1.196695  40.34766       1.416744  -5.722984      1.521970  
1 1 1 13  18 1  o 236.6638 2.485239  562.2480       11.76138  556.8129       16.45566  567.9242       16.81642  -2.326813      4.970478  
1 1 1 13  18 2  f 47.32810 0.6664785 21.51941       0.6163097 18.43850       0.7766151 26.76026       1.012901  -8.787823      1.332957  
1 1 1 13  18 3  f 142.6178 1.879864  204.5592       5.064484  201.8717       8.708622  205.9326       6.225457  -1.536682      3.759729  
1 1 1 13  18 4  o 88.27923 1.460480  77.48477       2.564187  73.01176       3.415254  83.26408       3.882044  -5.789154      2.920961  
1 1 1 13  18 5  o 82.23547 1.388180  67.71439       2.282742  67.07445       3.192546  68.38380       3.265252  -0.7933350     2.776360  
1 1 1 13  18 6  o 122.7700 1.646926  151.4006       3.802502  152.0645       4.650705  150.0619       6.604312  0.9079285      3.293852  
1 1 1 13  18 7  f 77.47070 0.9008109 59.84077       1.391984  57.24208       1.886659  62.94539       2.062152  -3.676033      1.801622  
1 1 1 13  18 8  o 108.1652 1.186523  117.0279       2.564641  114.3713       3.540597  119.9603       3.719948  -2.576607      2.373045  
1 1 1 13  18 9  o 77.07153 0.8948673 58.68747       1.366161  54.32237       1.788663  64.79961       2.116551  -6.787224      1.789735  
1 1 1 13  18 10 o 64.20519 0.7856467 41.08278       1.006009  39.16842       1.361964  43.38134       1.492390  -3.277283      1.571293  
1 1 1 13  18 11 o 105.9001 1.166761  112.1082       2.467670  108.7821       3.382722  115.8916       3.607764  -3.346931      2.333522  
1 1 1 13  18 12 o 160.7332 1.712471  259.1684       5.503886  262.3706       7.880425  256.1187       7.690396  1.931396       3.424942  
1 1 1 13  18 13 o 57.30062 0.7306707 32.51849       0.8316097 30.13639       1.100295  35.69220       1.270029  -4.842468      1.461341  
1 1 1 13  18 14 o 58.05342 0.7374157 33.70783       0.8559644 34.59522       1.227144  32.86697       1.194547  1.487408       1.474831  
1 1 1 13  18 15 o 79.74443 0.9251210 63.24175       1.468192  59.66562       1.961945  67.79330       2.213396  -5.085083      1.850242  
1 1 1 13  18 16 o 56.45221 0.7344007 31.82551       0.8279832 30.69729       1.134532  33.11117       1.211105  -2.135178      1.468801  
1 1 1 13  18 17 o 30.04220 0.6820124 9.007080       0.4092127 9.636501       0.5961605 8.446300       0.5627149 1.979677       1.364025  
1 1 1 13  18 18 o 53.09024 0.7083669 28.11403       0.7507964 29.82149       1.102725  26.63851       1.025093  2.994713       1.416734  
1 1 1 13  18 19 o 102.9838 1.145903  106.0865       2.356832  109.7897       3.445805  102.8312       3.230711  3.364380       2.291806  
1 1 1 13  18 20 o 114.3036 1.257028  130.4538       2.863872  137.6306       4.267587  124.5737       3.862846  5.679451       2.514056  
1 1 1 13  18 21 o 56.32081 1.025586  31.71108       1.119758  32.08990       1.828669  31.48383       1.416341  0.5088005      2.051173  
1 1 1 13  18 22 f 33.67149 0.6149604 11.06584       0.4089591 9.443914       0.5313494 13.42291       0.6405473 -5.903841      1.229921  
1 1 1 13  18 23 f 31.67454 0.6137171 10.01138       0.3881005 9.558556       0.5299663 10.53505       0.5699233 -1.539593      1.227434  
1 1 1 13  18 24 o 40.95850 0.6516465 16.71247       0.5325329 18.14956       0.7852118 15.48849       0.7246580 3.245232       1.303293  
1 1 1 13  18 25 o 18.38587 0.6740415 3.383126       0.2474548 3.126856       0.3458975 3.651780       0.3541566 -1.427031      1.348083  
1 1 1 13  18 26 o 57.98795 0.7619242 33.67664       0.8836046 34.07906       1.256733  33.28323       1.242598  0.6851425      1.523848  
1 1 1 13  18 27 o 93.82700 1.071281  88.21576       2.008150  85.93666       2.764079  90.76350       2.922438  -2.554482      2.142562  
1 1 1 13  18 28 o 17.11118 1.900211  2.961077       0.6501057 2.884979       0.9207258 3.036736       0.9180564 -0.4439926     3.800422  
1 1 1 13  18 29 o 44.40468 0.9813474 20.37698       0.7668496 21.08958       0.9014746 18.51120       1.458682  2.964378       1.962695  
1 1 1 13  18 30 o 45.36777 0.6992641 20.60103       0.6341587 21.52755       0.9104909 19.72808       0.8837773 1.980865       1.398528  
1 1 1 13  18 31 o 48.86309 0.7235324 23.73189       0.7041236 26.16981       1.055590  21.77759       0.9451077 4.483727       1.447065  
1 1 1 13  18 32 o 18.83143 0.7869967 3.509682       0.2941736 2.987787       0.3935054 4.170857       0.4429119 -3.135891      1.573993  
1 1 1 13  18 33 o 30.56361 0.7778206 9.357466       0.4752448 8.986010       0.6626269 9.750943       0.6819866 -1.249189      1.555641  
1 1 1 13  18 34 o 31.79891 1.040126  10.64242       0.6112143 11.61675       0.7553472 8.794433       1.040265  4.480301       2.080252  
1 1 1 13  18 35 o 18.76893 0.8183972 3.513030       0.3061420 3.146748       0.4165148 3.943425       0.4514985 -2.117552      1.636794  
1 1 1 13  18 36 o 54.36488 0.7784873 29.39461       0.8426615 32.45129       1.266278  26.96511       1.128922  5.026852       1.556975  
1 1 1 13  18 37 o 17.28102 0.8886600 2.997980       0.3070345 2.988120       0.4283390 3.008400       0.4403342 -0.5677223E-01 1.777320  
1 1 1 13  18 38 o 44.78720 0.7543856 19.86080       0.6682535 21.82210       1.041779  18.48959       0.8710734 3.695564       1.508771  
1 1 1 13  18 39 o 35.62233 0.7736835 12.80072       0.5460214 12.18152       0.8192209 13.29566       0.7324295 -1.577232      1.547367  
1 1 1 13  18 40 o 41.45798 0.8331454 16.99688       0.6798582 18.71859       1.080107  15.86719       0.8749195 3.400677       1.666291  
1 1 1 13  18 41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  18 42 o 49.10450 0.9643648 24.21386       0.9460181 25.80570       1.371814  22.77037       1.306330  3.075569       1.928730  
1 1 1 13  18 43 o 22.76577 0.9349765 5.221267       0.4247798 5.328883       0.5853983 5.101590       0.6173316 0.5066090      1.869953  
1 1 1 13  18 44 o 10.22489 2.543177  0.000000       0.000000  ?              ?         1.111363       0.5185574 ?              ?         
1 1 1 13  19 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  19 1  o 29.76098 2.451330  0.000000       0.000000  ?              ?         8.880120       1.459080  ?              ?         
1 1 1 13  19 2  o 85.20454 1.235718  71.04451       1.911479  68.87292       2.252826  76.62636       3.611834  -4.497795      2.471437  
1 1 1 13  19 3  o 66.35469 0.8054226 43.94530       1.067009  42.28319       1.457554  45.86460       1.566262  -2.695847      1.610845  
1 1 1 13  19 4  o 94.34509 1.054387  89.02175       1.988085  87.09099       2.749302  91.13792       2.878283  -2.140244      2.108773  
1 1 1 13  19 5  o 107.2416 1.179625  114.5403       2.519675  121.7591       3.776068  108.7463       3.382970  6.051369       2.359251  
1 1 1 13  19 6  o 41.67490 0.6203988 17.35858       0.5168453 17.89467       0.7453265 16.86201       0.7173360 1.238342       1.240798  
1 1 1 13  19 7  o 28.07940 0.5611462 7.808802       0.3131928 9.132342       0.4677274 6.733008       0.4216852 4.271479       1.122292  
1 1 1 13  19 8  o 52.81548 0.6943981 27.88477       0.7331457 28.73054       1.056987  27.10060       1.017773  1.541988       1.388796  
1 1 1 13  19 9  o 80.44901 0.9313128 64.78702       1.498408  64.70483       2.109390  64.87073       2.128882  -0.1023483     1.862626  
1 1 1 13  19 10 o 117.0822 1.276608  137.3623       2.989345  137.1636       4.219287  137.5627       4.235905  -0.1694870     2.553216  
1 1 1 13  19 11 o 110.2024 1.212600  121.6518       2.672141  120.5258       3.736951  122.8299       3.822456  -1.040657      2.425200  
1 1 1 13  19 12 o 85.18295 0.9748290 72.62752       1.660423  73.85086       2.378392  71.46439       2.319116  1.398087       1.949658  
1 1 1 13  19 13 f 89.74900 1.019874  80.62622       1.829883  79.40656       2.544156  81.93341       2.633867  -1.403244      2.039749  
1 1 1 13  19 14 o 98.73933 1.520140  96.90289       2.978629  90.92130       3.929709  104.9800       4.566481  -7.069122      3.040280  
1 1 1 13  19 15 o 130.4006 1.412464  170.4360       3.681558  167.2039       5.102526  173.9456       5.317120  -2.568726      2.824928  
1 1 1 13  19 16 o 26.37099 0.5832737 6.947093       0.3073855 6.620482       0.4254215 7.303868       0.4446321 -1.295097      1.166547  
1 1 1 13  19 17 o 59.10650 0.7539405 34.94297       0.8906862 34.29637       1.233571  35.64722       1.287393  -1.140362      1.507881  
1 1 1 13  19 18 o 109.6480 1.210653  120.4604       2.653411  122.9955       3.830930  118.1228       3.678678  2.210136       2.421305  
1 1 1 13  19 19 o 43.12936 0.6643883 18.51441       0.5714954 20.31656       0.8446634 16.99291       0.7761139 3.849926       1.328777  
1 1 1 13  19 20 o 89.15063 1.020427  79.62212       1.819075  80.61272       2.603965  78.67791       2.542267  1.080727       2.040854  
1 1 1 13  19 21 o 17.48122 1.678252  2.936075       0.5725985 2.261613       0.7304677 4.011039       0.9221874 -4.979628      3.356503  
1 1 1 13  19 22 o 56.61844 0.7458979 32.07451       0.8439698 31.54154       1.166848  32.65922       1.222181  -0.9836388     1.491796  
1 1 1 13  19 23 o 9.826009 0.9420170 0.9778868      0.1763085 1.283099       0.2599452 0.7178636      0.2399315 2.984423       1.884034  
1 1 1 13  19 24 o 46.85503 0.6929919 21.97305       0.6492640 22.54829       0.9288710 21.42351       0.9078844 1.198895       1.385984  
1 1 1 13  19 25 o 46.98535 0.9363917 21.75726       0.7778971 22.93809       1.526290  21.34289       0.9041396 1.638706       1.872783  
1 1 1 13  19 26 o 40.10820 1.166215  16.06434       0.9324258 15.10103       1.257831  17.23944       1.389239  -2.649506      2.332430  
1 1 1 13  19 27 o 13.62977 0.8307860 1.862606       0.2233239 1.473036       0.3077534 2.295921       0.3245728 -3.017137      1.661572  
1 1 1 13  19 28 o 42.89685 0.6772513 18.38454       0.5803123 19.46052       0.8459619 17.42819       0.7975474 2.364876       1.354503  
1 1 1 13  19 29 o 58.68025 0.7843277 34.49802       0.9202410 33.95788       1.283338  35.06972       1.320283  -0.9436073     1.568655  
1 1 1 13  19 30 o 37.70111 0.6797459 14.22813       0.5122591 13.93182       0.7102393 14.54938       0.7395359 -0.8163223     1.359492  
1 1 1 13  19 31 o 48.93519 0.7275651 23.99113       0.7119306 23.72261       0.9950383 24.27277       1.019034  -0.5596848     1.455130  
1 1 1 13  19 32 o 56.29845 0.7827384 31.61059       0.8786728 29.70971       1.187465  33.91088       1.306276  -3.717564      1.565477  
1 1 1 13  19 33 o 64.97141 0.8397615 42.33826       1.091029  42.07915       1.527163  42.60837       1.559232  -0.4030991     1.679523  
1 1 1 13  19 34 f 40.91921 0.7359071 16.73102       0.5976703 16.34548       0.7934847 17.23658       0.9086366 -1.074261      1.471814  
1 1 1 13  19 35 o 46.87843 0.8955714 22.01007       0.8384631 23.06955       1.226494  21.08050       1.148843  2.109234       1.791143  
1 1 1 13  19 36 o 29.60486 1.056104  9.069426       0.5718590 9.485948       0.6912568 8.166243       1.017908  2.289299       2.112208  
1 1 1 13  19 37 o 24.75187 0.7641373 6.146326       0.3782745 6.119838       0.5340130 6.173002       0.5359138 -0.1071072     1.528275  
1 1 1 13  19 38 o 10.98164 1.469665  1.208815       0.3119622 0.8087519      0.4101381 1.758013       0.4805414 -4.428922      2.939330  
1 1 1 13  19 39 o 25.67964 1.797167  0.000000       0.000000  ?              ?         6.661704       0.9230122 ?              ?         
1 1 1 13  19 40 o 12.61879 1.778210  1.637757       0.3824041 1.620844       0.4392914 1.690667       0.7769843 0.1040449      3.556420  
1 1 1 13  19 41 o 49.41490 0.9561176 24.54703       0.9438088 24.09488       1.298659  25.05318       1.374021  -0.9521484     1.912235  
1 1 1 13  19 42 o 32.25566 0.8696569 10.45298       0.5601087 10.35485       0.7687776 10.56399       0.8177116 -0.3137131     1.739314  
1 1 1 13  19 43 f 22.08084 1.448582  0.000000       0.000000  ?              ?         4.912621       0.6397179 ?              ?         
1 1 1 13  20 0  o 73.16689 0.8657484 53.30726       1.262581  56.72681       1.882430  50.51098       1.702253  4.242226       1.731497  
1 1 1 13  20 1  o 181.5155 2.360917  328.8296       7.998549  324.4126       9.673491  338.3765       14.22169  -3.464813      4.721835  
1 1 1 13  20 2  o 94.51788 1.458448  89.51254       2.756412  88.36298       3.850736  90.72050       3.947369  -1.241844      2.916895  
1 1 1 13  20 3  o 117.5121 1.781110  138.5488       4.185289  137.0464       5.852669  140.1211       5.987415  -1.298798      3.562220  
1 1 1 13  20 4  o 60.16598 1.000522  35.45007       1.186277  40.87075       1.884457  31.89200       1.526749  7.446724       2.001045  
1 1 1 13  20 5  o 55.43122 0.8438970 30.33097       0.8932481 32.15379       1.527618  29.38392       1.101109  2.482948       1.687794  
1 1 1 13  20 6  o 154.6136 1.653717  239.4067       5.105573  247.8546       7.478733  232.0331       6.987057  5.080200       3.307433  
1 1 1 13  20 7  o 49.99850 0.6852582 25.00776       0.6850963 24.74518       0.9573582 25.28336       0.9808127 -0.5374680     1.370516  
1 1 1 13  20 8  o 97.44492 1.090196  94.97400       2.122605  97.90433       3.085758  92.34219       2.924374  2.845848       2.180393  
1 1 1 13  20 9  o 55.22969 0.7212275 30.40829       0.7946975 28.94400       1.078568  32.14733       1.175411  -2.896667      1.442455  
1 1 1 13  20 10 o 11.77781 0.7396926 1.398431       0.1725626 1.182630       0.2451742 1.610286       0.2429220 -1.815597      1.479385  
1 1 1 13  20 11 f 100.9226 1.431781  100.9473       2.799443  106.9578       4.626631  97.47582       3.516133  4.615471       2.863561  
1 1 1 13  20 12 o 35.51881 0.6036859 12.58235       0.4281477 13.51795       0.6256591 11.75836       0.5871578 2.475739       1.207372  
1 1 1 13  20 13 o 110.2479 1.215688  121.4227       2.673921  127.3348       3.953219  116.4368       3.630367  4.920944       2.431376  
1 1 1 13  20 14 o 24.65420 0.5840830 6.075720       0.2877102 5.958080       0.3965483 6.206478       0.4180718 -0.5030460     1.168166  
1 1 1 13  20 15 o 109.0828 1.204379  119.2119       2.626253  121.6787       3.786515  116.9251       3.645655  2.168503       2.408758  
1 1 1 13  20 16 o 59.28186 0.7617863 35.17289       0.9029084 34.83406       1.258500  35.53229       1.296143  -0.5869675     1.523573  
1 1 1 13  20 17 o 73.35365 0.8764141 53.79477       1.284093  52.12968       1.762380  55.67905       1.874792  -2.412430      1.752828  
1 1 1 13  20 18 o 96.75490 1.090856  93.54926       2.105883  89.90859       2.861450  97.85107       3.110443  -4.085251      2.181712  
1 1 1 13  20 19 o 26.82048 0.6019422 7.171408       0.3222671 6.690707       0.4403116 7.726003       0.4729451 -1.928537      1.203884  
1 1 1 13  20 20 o 78.42451 1.246547  61.72923       1.903502  61.72047       3.063757  61.73473       2.429251  -0.7408142E-01 2.493093  
1 1 1 13  20 21 o 54.94472 0.7367122 30.16152       0.8081954 29.12693       1.104713  31.35291       1.185478  -2.020458      1.473424  
1 1 1 13  20 22 f 75.39395 0.8998347 56.95860       1.356665  56.53632       1.900624  57.39726       1.937124  -0.5678482     1.799669  
1 1 1 13  20 23 o 68.88921 1.296635  47.69102       1.786429  48.04977       2.524041  47.33094       2.528751  0.5223541      2.593270  
1 1 1 13  20 24 o 69.75628 1.113445  49.50042       1.440795  50.66626       1.749607  47.04399       2.539645  2.687134       2.226890  
1 1 1 13  20 25 f 25.01445 0.6432442 6.231173       0.3202062 7.179459       0.4705779 5.413509       0.4369676 3.527449       1.286488  
1 1 1 13  20 26 o 43.51717 0.6822454 18.94152       0.5933715 19.87780       0.8566014 18.07783       0.8227312 2.065361       1.364491  
1 1 1 13  20 27 o 50.22303 0.7263265 25.18553       0.7282562 26.77957       1.069404  23.80699       0.9944909 2.952461       1.452653  
1 1 1 13  20 28 o 62.06097 0.8082678 38.53379       1.001808  37.23682       1.372948  40.01067       1.465076  -2.224773      1.616536  
1 1 1 13  20 29 o 52.83123 0.7471057 27.94692       0.7889106 27.30486       1.092315  28.64703       1.140629  -1.265289      1.494211  
1 1 1 13  20 30 o 21.64682 0.6931830 4.689147       0.2998686 4.953412       0.4321238 4.443687       0.4164660 1.175791       1.386366  
1 1 1 13  20 31 o 14.11654 0.8791835 2.008712       0.2466659 1.759476       0.3501733 2.254183       0.3475182 -1.752570      1.758367  
1 1 1 13  20 32 f 25.53257 0.6807219 6.524888       0.3473441 6.187615       0.4824131 6.887960       0.5005249 -1.369455      1.361444  
1 1 1 13  20 33 o 26.76591 0.6961138 7.157465       0.3719752 6.632432       0.5104193 7.752136       0.5432159 -2.087654      1.392228  
1 1 1 13  20 34 o 30.18969 0.6975040 9.064178       0.4193689 8.078642       0.5665032 10.25907       0.6237798 -3.604153      1.395008  
1 1 1 13  20 35 o 66.45218 0.9114204 44.26274       1.203059  45.10247       1.817891  43.60840       1.604742  1.088028       1.822841  
1 1 1 13  20 36 o 43.77642 0.8403651 19.17523       0.7317545 19.83644       1.101329  18.65261       0.9791297 1.331703       1.680730  
1 1 1 13  20 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  20 38 o 15.79889 1.450035  2.512465       0.4581788 2.512465       0.4581788 ?              ?         ?              ?         
1 1 1 13  20 39 o 28.41535 0.8529474 8.123724       0.4832003 8.269378       0.6610721 7.956637       0.7080399 0.5594406      1.705895  
1 1 1 13  20 40 o 40.96976 0.8842291 16.79058       0.7216992 15.95429       0.9701768 17.82672       1.079889  -2.261040      1.768458  
1 1 1 13  20 41 o 35.43254 0.8578408 12.63086       0.6073025 13.06395       0.8506182 12.18057       0.8673365 1.250076       1.715682  
1 1 1 13  20 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  21 0  o 140.3243 1.509389  196.9528       4.226578  190.0756       5.751115  205.0293       6.232423  -5.295471      3.018778  
1 1 1 13  21 1  o 59.22501 0.7554406 35.01303       0.8934740 36.71048       1.308219  33.52907       1.223189  2.682941       1.510881  
1 1 1 13  21 2  o 42.64098 0.6359213 18.08960       0.5405313 16.96839       0.7290392 19.45841       0.8055243 -2.917522      1.271843  
1 1 1 13  21 3  o 38.62677 0.6160524 14.91411       0.4756898 15.53998       0.6839870 14.32783       0.6620055 1.568424       1.232105  
1 1 1 13  21 4  o 19.24870 0.5972928 3.681800       0.2290361 3.276343       0.3107456 4.164038       0.3388937 -2.305056      1.194586  
1 1 1 13  21 5  o 52.38558 0.8077245 27.73122       0.8347849 29.37810       1.113806  25.62040       1.260972  3.592354       1.615449  
1 1 1 13  21 6  o 72.48570 1.155534  52.61046       1.674463  53.66093       2.411667  51.63269       2.326714  1.394112       2.311069  
1 1 1 13  21 7  o 72.14526 1.152158  52.13827       1.662179  52.82893       2.377237  51.47764       2.324985  0.9333725      2.304316  
1 1 1 13  21 8  o 113.2367 1.500856  129.1033       3.250922  127.1334       5.440688  130.1972       4.054258  -1.462524      3.001711  
1 1 1 13  21 9  o 102.5609 1.143400  105.3374       2.344295  107.3356       3.377344  103.4796       3.256619  1.872368       2.286800  
1 1 1 13  21 10 o 50.28095 0.6989289 24.72315       0.6940610 29.18374       1.091552  21.69573       0.8992588 7.438686       1.397858  
1 1 1 13  21 11 o 114.8965 1.261524  132.3551       2.898862  132.0472       4.088095  132.6664       4.111222  -0.2677917     2.523049  
1 1 1 13  21 12 o 80.69096 0.9402871 64.69907       1.509138  69.99326       2.284308  60.59866       2.010334  5.805382       1.880574  
1 1 1 13  21 13 o 36.21960 0.6079591 13.12711       0.4402938 13.52539       0.6255812 12.73616       0.6197981 1.089279       1.215918  
1 1 1 13  21 14 o 53.16234 0.7138801 28.26462       0.7586761 29.26328       1.092689  27.33506       1.054206  1.811592       1.427760  
1 1 1 13  21 15 o 84.93903 0.9814359 72.21716       1.666209  74.12248       2.408730  70.46892       2.307292  2.143723       1.962872  
1 1 1 13  21 16 o 76.58659 0.9095025 58.63002       1.390900  56.64112       1.903130  60.91042       2.037831  -2.778198      1.819005  
1 1 1 13  21 17 o 75.95088 0.9059737 57.77482       1.375834  57.04345       1.919694  58.54724       1.972840  -0.9861069     1.811947  
1 1 1 13  21 18 o 83.96312 0.9749618 70.52821       1.634795  68.41714       2.239883  72.93462       2.391452  -2.677704      1.949924  
1 1 1 13  21 19 o 72.08994 0.9595468 51.85715       1.359338  53.32261       2.144519  50.87289       1.757516  1.666046       1.919094  
1 1 1 13  21 20 o 86.13087 1.483680  74.62064       2.555400  73.98961       3.576200  75.27898       3.652781  -0.7374878     2.967359  
1 1 1 13  21 21 o 18.46967 1.756837  3.422486       0.6448486 3.278160       0.8575851 3.610255       0.9781746 -0.8770733     3.513675  
1 1 1 13  21 22 o 57.58725 0.7656893 33.21909       0.8818510 33.53887       1.252731  32.90498       1.241595  0.5494690      1.531379  
1 1 1 13  21 23 o 56.92274 0.7613263 32.39307       0.8657754 33.98817       1.260793  30.96975       1.190971  2.645390       1.522653  
1 1 1 13  21 24 o 38.87341 0.6614034 15.05541       0.5127145 14.12875       0.6934222 16.17304       0.7615297 -2.624073      1.322807  
1 1 1 13  21 25 o 35.38178 0.6487015 12.42108       0.4568691 14.09348       0.6837961 11.07249       0.6140395 4.263424       1.297403  
1 1 1 13  21 26 o 21.88771 0.6606832 4.784746       0.2886202 4.377650       0.3974649 5.238860       0.4197908 -1.965370      1.321366  
1 1 1 13  21 27 o 53.91689 0.7475696 29.09136       0.8053442 28.23639       1.109434  30.04370       1.170909  -1.669743      1.495139  
1 1 1 13  21 28 o 28.79142 0.6505122 8.233459       0.3729876 7.407026       0.5020500 9.251510       0.5572218 -3.198046      1.301024  
1 1 1 13  21 29 o 16.32326 0.7628607 2.664239       0.2485537 2.912657       0.3607029 2.439631       0.3429822 1.446950       1.525721  
1 1 1 13  21 30 o 12.63222 0.9017553 1.590323       0.2268910 1.726009       0.3402255 1.481647       0.3044857 0.9621563      1.803511  
1 1 1 13  21 31 o 44.01342 0.7078460 19.40691       0.6228749 20.10938       0.8929166 18.74110       0.8693135 1.551498       1.415692  
1 1 1 13  21 32 o 27.59204 0.6947476 7.586567       0.3813714 8.776735       0.5613278 6.566183       0.5197500 4.000702       1.389495  
1 1 1 13  21 33 o 44.00945 0.7442770 19.38175       0.6528054 19.89536       0.9698541 18.95631       0.8827007 1.055202       1.488554  
1 1 1 13  21 34 o 42.12588 0.8191516 17.79260       0.6879421 18.03617       1.017400  17.58742       0.9337658 0.5193901      1.638303  
1 1 1 13  21 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  21 36 o 26.58021 0.8094494 7.091947       0.4294416 7.715295       0.6150493 6.498969       0.5998791 2.285305       1.618899  
1 1 1 13  21 37 o 37.72275 0.8380812 14.19761       0.6301906 15.64836       0.9367216 12.99807       0.8517713 3.497128       1.676162  
1 1 1 13  21 38 f 25.87136 0.8182527 6.711845       0.4230359 6.427491       0.5843895 7.024903       0.6131743 -1.149082      1.636505  
1 1 1 13  21 39 o 33.74416 1.071212  11.09423       0.6454685 10.65099       0.7513462 12.34289       1.261083  -2.371250      2.142423  
1 1 1 13  21 40 o 7.868944 1.712149  0.6387789      0.3021997 0.7798642      0.3968683 0.4440887      0.4662057 1.461939       3.424297  
1 1 1 13  22 0  o 39.17146 0.7778813 15.33471       0.6089229 15.94660       0.8829868 14.77982       0.8408515 1.487617       1.555763  
1 1 1 13  22 1  o 52.01316 0.7046047 27.04805       0.7326058 27.91375       1.056571  26.24646       1.016701  1.601284       1.409209  
1 1 1 13  22 2  o 21.13710 0.6028301 4.451021       0.2530167 3.752352       0.3463229 5.250830       0.3705431 -3.543888      1.205660  
1 1 1 13  22 3  o 50.92094 0.6941682 25.83213       0.7051996 27.64212       1.043087  24.30839       0.9570622 3.270222       1.388336  
1 1 1 13  22 4  o 25.04132 0.5765325 6.269886       0.2886088 6.149276       0.4008144 6.399751       0.4159130 -0.4996471     1.153065  
1 1 1 13  22 5  o 55.89312 0.7323312 31.26703       0.8186105 31.31380       1.152843  31.21946       1.162599  0.8479309E-01  1.464662  
1 1 1 13  22 6  o 28.88277 0.5821456 8.298005       0.3352729 7.558755       0.4553099 9.173648       0.4955350 -2.794271      1.164291  
1 1 1 13  22 7  f 59.15339 0.7558612 34.91890       0.8923112 33.50315       1.214487  36.57962       1.315381  -2.595932      1.511722  
1 1 1 13  22 8  o 37.28123 0.6773174 13.72285       0.4923574 13.11430       0.6236802 14.72940       0.8021081 -2.158630      1.354635  
1 1 1 13  22 9  o 88.86810 1.383080  79.09267       2.454140  76.56400       3.356120  81.99869       3.597829  -3.035629      2.766160  
1 1 1 13  22 10 o 40.93564 0.7771282 16.54202       0.6311346 18.68519       0.9706110 14.97202       0.8307409 4.527798       1.554256  
1 1 1 13  22 11 o 36.33257 0.7344960 12.87545       0.5263796 15.42695       0.8321610 11.17365       0.6796175 5.845409       1.468992  
1 1 1 13  22 12 f 60.57458 0.9045365 36.24438       1.044964  38.41946       1.791831  35.12337       1.286361  2.688709       1.809073  
1 1 1 13  22 13 o 56.09471 0.7423425 30.97736       0.8239959 28.07997       1.074044  35.12239       1.284644  -6.265617      1.484685  
1 1 1 13  22 14 o 46.93158 0.6831600 22.04342       0.6411495 22.51720       0.9146518 21.58572       0.8989957 0.9915237      1.366320  
1 1 1 13  22 15 o 100.2915 1.127884  100.2931       2.251824  95.11691       3.014583  106.8271       3.386967  -5.802948      2.255768  
1 1 1 13  22 16 o 31.64006 0.6160208 9.947066       0.3880261 11.38441       0.5747452 8.743223       0.5259934 4.171179       1.232042  
1 1 1 13  22 17 o 32.55343 1.214003  10.59028       0.7856484 10.22362       1.047407  11.06195       1.187970  -1.271656      2.428006  
1 1 1 13  22 18 o 62.49899 1.257506  39.15654       1.570218  41.44252       2.279690  37.09304       2.165922  3.465195       2.515013  
1 1 1 13  22 19 o 84.47321 1.080883  70.92164       1.782673  68.58945       2.268743  74.68520       2.882066  -3.538940      2.161766  
1 1 1 13  22 20 o 40.05532 0.6681121 15.88298       0.5317478 14.50019       0.7046260 17.71225       0.8104373 -4.001930      1.336224  
1 1 1 13  22 21 o 104.4104 1.173966  109.4964       2.451467  109.9276       3.475209  109.0693       3.458645  0.4088211      2.347932  
1 1 1 13  22 22 o 70.92026 0.8728222 50.37845       1.237113  49.23199       1.710506  51.63588       1.791377  -1.686317      1.745644  
1 1 1 13  22 23 o 49.79369 0.7204894 24.83140       0.7172051 24.55404       0.9974318 25.12831       1.032014  -0.5734825     1.440979  
1 1 1 13  22 24 o 23.78691 0.6602704 5.554231       0.3103868 4.545118       0.4097125 6.913457       0.4755055 -4.972458      1.320541  
1 1 1 13  22 25 o 33.34113 0.6434940 11.13146       0.4289884 11.02510       0.5988823 11.24355       0.6147929 -0.3262024     1.286988  
1 1 1 13  22 26 o 34.17811 0.6509106 11.66889       0.4442183 11.14324       0.6074467 12.27315       0.6512807 -1.648911      1.301821  
1 1 1 13  22 27 o 23.16079 0.6670676 5.270475       0.3058294 4.426975       0.4032242 6.412902       0.4692651 -4.280827      1.334135  
1 1 1 13  22 28 o 24.30764 0.6715614 5.915419       0.3263364 5.758995       0.4533410 6.083646       0.4701357 -0.6660633     1.343123  
1 1 1 13  22 29 o 16.77895 0.7854268 2.804168       0.2608497 3.421472       0.3855375 2.283018       0.3542407 3.388372       1.570854  
1 1 1 13  22 30 o 56.28748 0.7808829 31.77296       0.8789924 32.24836       1.253608  31.31320       1.232819  0.8278465      1.561766  
1 1 1 13  22 31 o 52.25346 0.7601345 27.35921       0.7939398 26.69242       1.100310  28.08344       1.146729  -1.324757      1.520269  
1 1 1 13  22 32 o 15.54688 0.8819260 2.414064       0.2734586 2.663512       0.4031746 2.201536       0.3721443 1.480618       1.763852  
1 1 1 13  22 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  22 34 o 30.77961 0.7982528 9.473831       0.4901983 9.017759       0.6654364 10.01499       0.7248595 -1.609964      1.596506  
1 1 1 13  22 35 o 12.24222 1.106579  1.506801       0.2698863 1.701403       0.3913868 1.330381       0.3726555 1.510747       2.213158  
1 1 1 13  22 36 o 61.11388 1.057760  37.61547       1.292803  37.55501       1.818040  37.67732       1.838735  -0.9512329E-01 2.115519  
1 1 1 13  22 37 o 22.52826 0.8349326 5.102004       0.3759112 4.876613       0.5316911 5.327271       0.5315463 -1.000235      1.669865  
1 1 1 13  22 38 o 10.35945 1.333743  1.116181       0.2652335 1.160476       0.3943634 1.079596       0.3584037 0.3614016      2.667487  
1 1 1 13  22 39 f 18.64261 0.9202399 3.524298       0.3397460 2.993381       0.4845073 4.037894       0.4765386 -2.803242      1.840480  
1 1 1 13  23 0  o 107.8550 1.194490  116.6035       2.576598  116.3496       3.632684  116.8605       3.655139  -0.2352982     2.388980  
1 1 1 13  23 1  o 18.74006 1.511481  3.483780       0.5536082 2.555947       0.7418175 4.650111       0.8317116 -5.579312      3.022961  
1 1 1 13  23 2  o 98.74828 1.107247  97.66357       2.185688  95.92731       3.034045  99.53667       3.151351  -1.819427      2.214494  
1 1 1 13  23 3  o 92.19514 1.046896  84.50459       1.919342  91.23219       2.908969  79.31779       2.554219  6.437393       2.093792  
1 1 1 13  23 4  o 36.07161 0.6162657 13.00965       0.4443938 12.62035       0.6174603 13.42800       0.6400857 -1.118568      1.232531  
1 1 1 13  23 5  o 69.86227 0.8500136 48.58973       1.182996  52.04151       1.771520  45.81155       1.589292  4.447960       1.700027  
1 1 1 13  23 6  f 54.10537 0.7244067 29.28880       0.7835916 28.76147       1.090152  29.85249       1.127103  -1.006359      1.448813  
1 1 1 13  23 7  o 45.68564 0.6734287 20.46572       0.6086865 24.02236       0.9487217 17.97743       0.7935410 6.608463       1.346857  
1 1 1 13  23 8  o 104.5584 1.165960  109.4675       2.435417  106.5885       3.349108  112.6985       3.547881  -2.905426      2.331921  
1 1 1 13  23 9  o 60.00845 0.7691444 36.02496       0.9226767 37.04512       1.329777  35.07782       1.281297  1.636425       1.538289  
1 1 1 13  23 10 o 34.88129 0.6229445 12.17227       0.4344840 12.50889       0.6215883 11.85067       0.6075583 0.9428215      1.245889  
1 1 1 13  23 11 o 85.25812 0.9887847 72.80406       1.685314  74.54887       2.427354  71.18015       2.341738  1.968643       1.977569  
1 1 1 13  23 12 o 129.7433 1.722065  168.6387       4.208442  166.8958       5.137684  172.1932       7.336835  -1.724228      3.444129  
1 1 1 13  23 13 o 67.07297 1.547691  0.000000       0.000000  ?              ?         45.12292       2.076165  ?              ?         
1 1 1 13  23 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  23 15 o 51.92126 1.259968  27.08775       1.307854  26.21913       1.850466  27.95471       1.848705  -1.671570      2.519937  
1 1 1 13  23 16 o 47.15561 0.6901336 22.21103       0.6497368 21.35631       0.8874884 23.19831       0.9538270 -1.948334      1.380267  
1 1 1 13  23 17 o 43.08332 1.194496  18.42825       1.022417  16.84820       1.353865  20.52533       1.559721  -4.241329      2.388992  
1 1 1 13  23 18 o 53.40594 0.7396100 28.44961       0.7878069 27.01526       1.066771  30.17030       1.168408  -2.945469      1.479220  
1 1 1 13  23 19 o 26.60005 0.6297370 6.932740       0.3313193 5.831154       0.4346484 8.460585       0.5118803 -4.936853      1.259474  
1 1 1 13  23 20 o 29.54665 0.6288253 8.730329       0.3713113 8.444917       0.5130333 9.044302       0.5380895 -1.012367      1.257651  
1 1 1 13  23 21 o 74.86118 0.9094712 56.21101       1.361630  56.13710       1.916752  56.28629       1.934645  -0.9754181E-01 1.818942  
1 1 1 13  23 22 o 26.16303 0.6374643 6.849206       0.3330288 7.407599       0.4785941 6.325013       0.4637062 2.067650       1.274929  
1 1 1 13  23 23 o 83.35172 0.9854153 69.34232       1.636388  74.12137       2.448682  65.48574       2.199695  5.146622       1.970831  
1 1 1 13  23 24 o 38.31580 0.6668244 14.69935       0.5107141 14.47839       0.7084870 14.93837       0.7368662 -0.5975380     1.333649  
1 1 1 13  23 25 o 34.96830 0.6592538 12.16191       0.4593227 13.64842       0.6818327 10.92680       0.6215106 3.885735       1.318508  
1 1 1 13  23 26 o 8.669231 1.155329  0.7661241      0.1931789 1.188909       0.2896187 0.4272659      0.2592840 4.427111       2.310658  
1 1 1 13  23 27 o 35.17727 0.6699038 12.37137       0.4706343 11.86492       0.6448209 12.94870       0.6884767 -1.535526      1.339808  
1 1 1 13  23 28 o 20.48941 0.6998078 4.183193       0.2854754 3.665564       0.3888118 4.788615       0.4204933 -2.736670      1.399616  
1 1 1 13  23 29 o 35.73317 0.7304307 12.77316       0.5180460 13.03734       0.7860104 12.57026       0.6888265 0.6410103      1.460861  
1 1 1 13  23 30 o 19.28406 0.9720057 3.906876       0.3421962 3.300401       0.5995775 4.199857       0.4167337 -2.363590      1.944011  
1 1 1 13  23 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  23 32 o 22.18412 0.7922722 4.938313       0.3514718 4.828139       0.4938744 5.051371       0.5003002 -0.5020981     1.584544  
1 1 1 13  23 33 f 40.81709 0.8373540 16.69239       0.6826451 15.92068       0.9363078 17.56809       0.9973975 -2.006603      1.674708  
1 1 1 13  23 34 f 46.70670 0.8899797 21.92037       0.8313028 22.21799       1.183760  21.63078       1.167684  0.6254425      1.779959  
1 1 1 13  23 35 o 16.57315 0.9149798 2.770869       0.3021469 2.522584       0.4304977 3.011911       0.4241729 -1.477613      1.829960  
1 1 1 13  23 36 o 30.58328 0.8016867 9.397086       0.4903121 9.251288       0.6940191 9.542371       0.6927947 -0.4761333     1.603373  
1 1 1 13  23 37 o 60.67883 1.053077  37.05920       1.276958  36.10955       1.763386  38.10627       1.851628  -1.622631      2.106154  
1 1 1 13  24 0  o 60.71302 0.7778595 36.77507       0.9426454 38.99238       1.387613  34.87492       1.284548  3.385303       1.555719  
1 1 1 13  24 1  o 67.02061 0.8259379 44.88860       1.105741  46.77433       1.613388  43.21830       1.518435  2.647415       1.651876  
1 1 1 13  24 2  o 96.59744 1.091534  92.99345       2.099746  99.21443       3.151186  88.02557       2.815987  5.765259       2.183068  
1 1 1 13  24 3  o 66.43977 0.8243497 44.20484       1.095389  44.26273       1.551203  44.14726       1.547035  0.8664703E-01  1.648699  
1 1 1 13  24 4  o 74.89365 1.349721  55.72244       2.008806  61.55124       3.059621  51.30618       2.663214  6.798759       2.699442  
1 1 1 13  24 5  o 38.51660 1.154535  14.88482       0.8879959 14.97433       1.224247  14.78544       1.289960  0.2512321      2.309071  
1 1 1 13  24 6  o 127.1488 1.386406  161.9491       3.518020  168.8031       5.183860  156.0973       4.789923  4.951698       2.772812  
1 1 1 13  24 7  o 40.51542 0.6443579 16.42439       0.5218743 16.22763       0.7250550 16.63592       0.7517523 -0.5024223     1.288716  
1 1 1 13  24 8  o 79.15331 0.9328125 62.39988       1.469981  58.99160       1.968433  66.69699       2.210252  -4.848000      1.865625  
1 1 1 13  24 9  o 70.90167 0.8649091 50.36275       1.226418  50.11108       1.724933  50.62004       1.744058  -0.3574448     1.729818  
1 1 1 13  24 10 o 83.35153 1.452101  69.86103       2.420632  69.73744       3.409511  69.98664       3.437238  -0.1457291     2.904202  
1 1 1 13  24 11 o 76.00783 1.381716  57.95007       2.097714  60.64820       3.063317  55.56765       2.878531  3.316902       2.763433  
1 1 1 13  24 12 o 62.41173 1.060766  39.55806       1.206812  40.26956       1.443570  37.90669       2.199234  1.973370       2.121531  
1 1 1 13  24 13 o 25.34256 0.6246508 6.323601       0.3135572 7.689200       0.4768110 5.283049       0.4162140 4.743298       1.249302  
1 1 1 13  24 14 o 27.28511 1.405352  7.529514       0.7623772 8.310711       1.065469  6.709944       1.091324  2.937269       2.810705  
1 1 1 13  24 15 o 53.68267 1.691745  28.94833       1.816348  28.94833       1.816348  ?              ?         ?              ?         
1 1 1 13  24 16 o 30.19028 0.7132709 9.122420       0.4304914 8.786036       0.5996445 9.480180       0.6184021 -1.148056      1.426542  
1 1 1 13  24 17 o 10.39298 0.9851378 1.107477       0.2002607 0.9200981      0.2986141 1.260632       0.2699700 -1.641662      1.970276  
1 1 1 13  24 18 o 42.80557 0.8152968 18.31474       0.6968269 17.47754       0.9524805 19.27886       1.022126  -2.096817      1.630594  
1 1 1 13  24 19 o 36.00098 0.6621874 12.91635       0.4754663 14.28527       0.6995806 11.74120       0.6481792 3.528812       1.324375  
1 1 1 13  24 20 o 48.11161 0.7151303 23.06617       0.6858044 21.71053       0.9246163 24.72404       1.022502  -3.122284      1.430261  
1 1 1 13  24 21 o 64.96497 0.8372709 42.31715       1.087777  42.04132       1.526797  42.60149       1.550166  -0.4284058     1.674542  
1 1 1 13  24 22 o 46.84557 0.7088188 21.88717       0.6625317 23.69416       0.9772570 20.35025       0.9012716 3.561245       1.417638  
1 1 1 13  24 23 o 16.46615 0.7268839 2.715379       0.2392018 2.867247       0.3428719 2.571380       0.3338724 0.8974476      1.453768  
1 1 1 13  24 24 o 42.78413 0.6974807 18.25355       0.5953442 19.86069       0.8784099 16.88810       0.8096720 3.466438       1.394961  
1 1 1 13  24 25 o 44.65036 0.7087998 19.97951       0.6325962 19.83462       0.8783649 20.13563       0.9118253 -0.3330307     1.417600  
1 1 1 13  24 26 o 15.25321 0.7834256 2.301801       0.2354989 2.931081       0.3543876 1.804163       0.3151468 3.688673       1.566851  
1 1 1 13  24 27 o 52.61176 0.8073636 27.76616       0.8455054 27.81315       1.258939  27.72757       1.141168  0.6451797E-01  1.614727  
1 1 1 13  24 28 o 37.26690 3.046482  0.000000       0.000000  ?              ?         14.22417       2.270658  ?              ?         
1 1 1 13  24 29 o 36.96318 1.117726  13.71022       0.8262945 13.71022       0.8262945 ?              ?         ?              ?         
1 1 1 13  24 30 o 44.22425 0.8563777 19.62071       0.7569166 19.16395       1.046828  20.12114       1.095729  -1.073753      1.712755  
1 1 1 13  24 31 o 29.71056 0.7570488 8.858763       0.4498413 8.918776       0.6377326 8.799334       0.6346222 0.2004871      1.514098  
1 1 1 13  24 32 o 44.44022 0.8669568 19.81935       0.7699032 19.32426       1.062675  20.36631       1.116968  -1.162045      1.733914  
1 1 1 13  24 33 o 5.781732 1.452836  0.2318668      0.2208757 0.4932660      0.3409287 0.4278851E-01  0.2899562 2.427911       2.905672  
1 1 1 13  24 34 o 40.26067 0.8345287 16.23880       0.6709045 17.21734       0.9828510 15.38502       0.9180635 2.262180       1.669057  
1 1 1 13  24 35 o 20.70964 0.8180871 4.305775       0.3386284 4.390791       0.4894444 4.227715       0.4689956 0.3896065      1.636174  
1 1 1 13  24 36 o 11.22791 1.384728  1.468022       0.2831670 0.6381138      0.4249700 2.130716       0.3797516 -6.649585      2.769457  
1 1 1 13  25 0  o 60.96348 0.7822887 37.09594       0.9517468 35.42301       1.294864  39.06180       1.403655  -2.977161      1.564577  
1 1 1 13  25 1  o 13.52957 0.7798906 1.835436       0.2107262 1.730487       0.2991009 1.938871       0.2969345 -0.7702484     1.559781  
1 1 1 13  25 2  o 42.14568 0.6555926 17.77978       0.5525416 17.67687       0.7745233 17.88642       0.7884873 -0.2478027     1.311185  
1 1 1 13  25 3  f 13.54631 0.7650508 1.835943       0.2071695 1.909055       0.2982638 1.767791       0.2879711 0.5207081      1.530102  
1 1 1 13  25 4  o 64.09179 0.8106802 41.14762       1.039135  41.53358       1.471840  40.76403       1.467288  0.6000061      1.621360  
1 1 1 13  25 5  o 71.97592 0.8769974 51.71867       1.259499  54.71069       1.860708  49.18849       1.711086  3.823631       1.753995  
1 1 1 13  25 6  o 31.86395 1.222873  10.17681       0.7781388 9.872746       1.065910  10.52375       1.138591  -1.012730      2.445745  
1 1 1 13  25 7  o 103.0436 1.697743  107.0545       3.498447  106.3681       4.905255  107.7651       4.990961  -0.6629868     3.395486  
1 1 1 13  25 8  o 72.73254 1.149827  52.85678       1.521443  52.50845       1.806013  53.70831       2.823748  -0.7055359     2.299654  
1 1 1 13  25 9  o 46.24232 0.6847866 21.28975       0.6313127 19.86969       0.8524345 23.01480       0.9395281 -3.394402      1.369573  
1 1 1 13  25 10 o 39.74227 0.6471551 15.81382       0.5143573 16.05973       0.7298616 15.57118       0.7249850 0.6143074      1.294310  
1 1 1 13  25 11 o 18.24481 0.6566048 3.329851       0.2394606 3.437211       0.3457086 3.230835       0.3320039 0.5645771      1.313210  
1 1 1 13  25 12 o 39.90214 0.6603529 15.59094       0.5210602 18.65516       0.8120505 13.44632       0.6793579 6.516953       1.320706  
1 1 1 13  25 13 o 48.84682 0.7158197 23.89717       0.6992487 24.23062       0.9968485 23.57417       0.9811134 0.6706123      1.431639  
1 1 1 13  25 14 o 16.33415 0.7239420 2.685931       0.2291620 1.874573       0.3138812 3.612082       0.3353512 -5.316771      1.447884  
1 1 1 13  25 15 o 53.82011 0.7440629 29.02378       0.8008963 29.27244       1.135415  28.77755       1.129882  0.4592285      1.488126  
1 1 1 13  25 16 o 27.37244 0.6355712 7.413022       0.3458278 6.588531       0.4605573 8.478852       0.5236426 -3.447613      1.271142  
1 1 1 13  25 17 o 75.52066 0.9168003 57.10366       1.383041  59.48269       2.018164  54.99708       1.899093  2.954964       1.833601  
1 1 1 13  25 18 o 25.77206 0.6380740 6.639150       0.3281722 7.287704       0.4748887 6.046332       0.4540252 2.406528       1.276148  
1 1 1 13  25 19 o 24.66040 0.6746396 6.103941       0.3313171 6.807220       0.4714244 5.417539       0.4657338 2.817087       1.349279  
1 1 1 13  25 20 o 23.35209 0.7142449 5.463226       0.3335299 5.548710       0.4768728 5.381365       0.4666582 0.3572407      1.428490  
1 1 1 13  25 21 o 39.88955 0.7958308 15.81283       0.6317421 14.55474       0.8435847 17.41936       0.9532738 -3.577484      1.591662  
1 1 1 13  25 22 o 51.15113 0.8408889 26.18950       0.8457143 26.57653       1.327742  25.92528       1.097049  0.6050415      1.681778  
1 1 1 13  25 23 f 27.08591 0.6625140 7.334920       0.3579224 8.136299       0.5189695 6.607948       0.4942892 2.818464       1.325028  
1 1 1 13  25 24 o 47.39096 0.7737395 22.49175       0.7305339 22.90524       1.086128  22.15015       0.9872044 0.7831802      1.547479  
1 1 1 13  25 25 o 43.46436 1.521503  18.52377       0.8646989 19.90545       2.514139  18.33840       0.9208783 1.406662       3.043007  
1 1 1 13  25 26 o 47.01968 1.648129  22.51690       1.427940  22.66682       1.717984  22.18190       2.568168  0.7708511      3.296257  
1 1 1 13  25 27 f 20.20531 0.7620029 4.092450       0.3075594 4.382520       0.4413969 3.818716       0.4287865 1.393290       1.524006  
1 1 1 13  25 28 o 51.14694 0.9261879 26.17677       0.9451299 27.90625       1.397480  24.71888       1.283068  3.094479       1.852376  
1 1 1 13  25 29 o 5.760430 1.444609  0.2918956      0.2087898 0.2553332      0.3087625 0.3227004      0.2834106 -0.2434983     2.889217  
1 1 1 13  25 30 o 48.43279 0.9000359 23.52354       0.8707559 24.65178       1.270402  22.52384       1.195846  2.182007       1.800072  
1 1 1 13  25 31 o 35.58118 0.7877817 12.70448       0.5604505 13.10031       0.8024637 12.32754       0.7830849 1.082439       1.575563  
1 1 1 13  25 32 o 36.39510 0.7990265 13.22727       0.5798911 14.40744       0.8604935 12.24538       0.7848905 2.955521       1.598053  
1 1 1 13  25 33 o 12.21761 1.045481  1.522720       0.2521796 1.340930       0.3724831 1.676558       0.3426531 -1.381228      2.090962  
1 1 1 13  25 34 o 22.75022 0.8040454 5.200951       0.3657018 5.119968       0.5218825 5.279079       0.5126034 -0.3515434     1.608091  
1 1 1 13  26 0  f 55.15775 0.7438392 30.40416       0.8194014 29.22810       1.122749  31.74447       1.198582  -2.275204      1.487678  
1 1 1 13  26 1  o 36.70792 0.9371479 13.28882       0.5833560 13.92820       1.216930  13.09806       0.6647062 1.078461       1.874296  
1 1 1 13  26 2  o 17.25298 1.711738  2.999174       0.5868233 2.973365       0.7849307 3.031878       0.8835888 -0.1518745     3.423476  
1 1 1 13  26 3  o 87.60793 1.507373  77.26905       2.640976  77.01182       3.710726  77.53310       3.759562  -0.2897339     3.014745  
1 1 1 13  26 4  f 36.95033 0.6486371 13.42647       0.4750075 16.00034       0.7286322 11.52409       0.6264189 6.050037       1.297274  
1 1 1 13  26 5  o 21.24694 0.6419895 4.518021       0.2727434 4.622038       0.3907616 4.419205       0.3808638 0.4766293      1.283979  
1 1 1 13  26 6  o 111.8609 1.243590  124.9559       2.768774  133.4615       4.169937  118.2493       3.702825  6.734787       2.487180  
1 1 1 13  26 7  o 27.68403 0.6278186 7.587709       0.3456503 6.736877       0.4617835 8.671771       0.5212470 -3.490330      1.255637  
1 1 1 13  26 8  o 53.03521 0.7362261 27.90675       0.7765405 30.77977       1.176860  25.69126       1.033451  4.784878       1.472452  
1 1 1 13  26 9  o 54.19083 0.7405958 29.37069       0.8015447 28.51922       1.099128  30.33788       1.171435  -1.671547      1.481192  
1 1 1 13  26 10 o 12.52671 0.8014937 1.568495       0.2005283 1.673833       0.2922575 1.474789       0.2756504 0.7928228      1.602987  
1 1 1 13  26 11 o 52.87460 0.7415931 27.94709       0.7832234 29.35824       1.143426  26.69972       1.075027  2.507458       1.483186  
1 1 1 13  26 12 o 45.12996 0.6860103 20.40078       0.6190959 20.28011       0.8668497 20.52641       0.8844842 -0.2712784     1.372021  
1 1 1 13  26 13 o 50.37983 0.7224920 25.33214       0.7264962 27.10455       1.069317  23.81264       0.9900924 3.259357       1.444984  
1 1 1 13  26 14 f 14.70464 0.7574831 2.158007       0.2202036 2.644447       0.3232937 1.737025       0.3007562 3.083187       1.514966  
1 1 1 13  26 15 o 32.60557 0.6481789 10.44438       0.4185663 9.092796       0.5485574 12.32792       0.6475725 -4.952005      1.296358  
1 1 1 13  26 16 o 31.94157 0.6423636 10.20614       0.4100560 10.74914       0.5915886 9.704013       0.5688907 1.633883       1.284727  
1 1 1 13  26 17 o 60.86997 0.8102442 37.13382       0.9858943 36.60470       1.368952  37.70396       1.421036  -0.8967781     1.620488  
1 1 1 13  26 18 o 94.42885 1.090111  89.54456       2.057597  91.77523       2.971384  87.48946       2.852046  2.249718       2.180223  
1 1 1 13  26 19 o 33.84592 0.6550481 11.46256       0.4430697 12.09631       0.6389648 10.87561       0.6149172 1.800777       1.310096  
1 1 1 13  26 20 o 29.15004 0.6475546 8.508008       0.3772583 8.972307       0.5410891 8.068799       0.5262672 1.548107       1.295109  
1 1 1 13  26 21 o 32.55745 0.6684011 10.62296       0.4349026 10.61053       0.6033160 10.63640       0.6274860 -0.3688049E-01 1.336802  
1 1 1 13  26 22 o 19.79329 2.410050  5.895143       0.4777072 2.205836       1.564915  6.274256       0.5016516 -10.44755      4.820101  
1 1 1 13  26 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  26 24 o 31.12008 0.7465078 9.650408       0.4630531 8.918952       0.6246769 10.54253       0.6898792 -2.599262      1.493016  
1 1 1 13  26 25 o 16.73079 0.8117101 2.798907       0.2699993 3.254384       0.3944340 2.397303       0.3703739 2.557520       1.623420  
1 1 1 13  26 26 o 31.76035 0.7602096 10.09296       0.4821868 9.582931       0.6607327 10.67408       0.7052749 -1.710821      1.520419  
1 1 1 13  26 27 o 5.907301 1.438721  0.3202844      0.2056879 0.3427203      0.3034635 0.3012173      0.2797541 0.3224473      2.877442  
1 1 1 13  26 28 o 18.95391 0.7820695 3.607123       0.2963762 3.699680       0.4184192 3.513926       0.4198630 0.4902630      1.564139  
1 1 1 13  26 29 o 23.24093 0.7573382 5.399652       0.3508886 6.051313       0.5128691 4.826190       0.4811144 2.630198       1.514676  
1 1 1 13  26 30 o 31.81276 0.7647126 10.13206       0.4858164 9.610919       0.6653268 10.72729       0.7110462 -1.746044      1.529425  
1 1 1 13  26 31 o 16.14307 0.8776911 2.627912       0.2820530 2.528309       0.4147782 2.713587       0.3846857 -0.5804348     1.755382  
1 1 1 13  26 32 o 29.09170 0.7702406 8.495312       0.4480410 8.368481       0.6252071 8.629212       0.6423938 -0.4448528     1.540481  
1 1 1 13  27 0  o 36.95414 0.6576607 13.55846       0.4839746 15.15030       0.7246501 12.27665       0.6502634 3.882378       1.315321  
1 1 1 13  27 1  f 79.06059 0.9420495 62.65009       1.488955  64.12632       2.144046  61.27492       2.069341  1.794922       1.884099  
1 1 1 13  27 2  o 14.90720 0.7814179 2.221157       0.2303098 2.709877       0.3366368 1.791127       0.3157776 3.079617       1.562836  
1 1 1 13  27 3  o 52.19862 0.7320136 26.94276       0.7587516 30.40796       1.160465  24.35522       1.002793  5.783627       1.464027  
1 1 1 13  27 4  o 75.94498 0.9148915 57.83585       1.389363  57.30708       1.942595  58.38957       1.987901  -0.7075119     1.829783  
1 1 1 13  27 5  o 19.22391 0.6815112 3.697684       0.2618445 3.595736       0.3621466 3.809364       0.3790387 -0.5541630     1.363022  
1 1 1 13  27 6  o 43.37159 0.6906691 18.84332       0.5990876 19.06657       0.8498073 18.62276       0.8446915 0.5111694      1.381338  
1 1 1 13  27 7  o 51.66939 0.7321952 26.48922       0.7527505 29.51966       1.136246  24.11885       1.004911  5.213524       1.464390  
1 1 1 13  27 8  o 32.19868 0.6370379 10.37524       0.4100283 10.12985       0.5689080 10.64050       0.5914861 -0.7910213     1.274076  
1 1 1 13  27 9  f 54.97836 0.7501407 30.23590       0.8239582 31.50673       1.199469  29.10040       1.133807  2.181736       1.500281  
1 1 1 13  27 10 f 81.83241 0.9713070 67.20137       1.589429  66.72622       2.224661  67.69682       2.271660  -0.5867767     1.942614  
1 1 1 13  27 11 o 42.73280 0.6824855 18.23229       0.5822591 17.20201       0.7955036 19.42116       0.8545397 -2.590885      1.364971  
1 1 1 13  27 12 o 54.53703 0.7495058 29.59963       0.8143046 32.27444       1.219282  27.44600       1.094068  4.413170       1.499012  
1 1 1 13  27 13 o 36.65900 0.6522017 13.46090       0.4781440 13.34244       0.6711071 13.58303       0.6814059 -0.3271675     1.304403  
1 1 1 13  27 14 o 26.97051 0.6481062 7.235897       0.3476384 8.412107       0.5137250 6.242279       0.4721696 4.018620       1.296212  
1 1 1 13  27 15 f 85.44933 1.008169  73.32184       1.722535  72.53301       2.405045  74.15266       2.468248  -0.9378738     2.016338  
1 1 1 13  27 16 o 29.75488 0.6474044 8.846149       0.3846996 9.505365       0.5602781 8.258151       0.5291502 2.092499       1.294809  
1 1 1 13  27 17 o 59.35300 0.7972202 35.28038       0.9454914 36.69680       1.373283  34.00388       1.303684  2.258938       1.594440  
1 1 1 13  27 18 o 86.07845 1.022761  74.45554       1.760430  75.85839       2.519089  73.11646       2.461170  1.582253       2.045522  
1 1 1 13  27 19 o 42.83511 1.053315  18.01311       0.7758048 19.31252       1.593654  17.60953       0.8881481 1.860241       2.106631  
1 1 1 13  27 20 o 36.71172 3.035412  13.79324       2.228704  13.79324       2.228704  ?              ?         ?              ?         
1 1 1 13  27 21 o 35.67555 0.7700371 12.75906       0.5492455 13.16529       0.7884132 12.37601       0.7655903 1.102890       1.540074  
1 1 1 13  27 22 o 64.84022 1.082735  42.31769       1.404081  42.29527       1.981022  42.34031       1.990352  -0.3274536E-01 2.165470  
1 1 1 13  27 23 o 52.71962 0.9380636 27.75388       0.9849803 26.06598       1.321476  29.86384       1.477489  -3.572556      1.876127  
1 1 1 13  27 24 o 38.24934 0.7961048 14.65270       0.6082082 14.02963       0.8343834 15.35910       0.8884312 -1.728596      1.592210  
1 1 1 13  27 25 f 36.59478 0.7853470 13.30315       0.5714653 12.15210       0.7599761 14.80082       0.8668834 -3.600296      1.570694  
1 1 1 13  27 26 o 15.69491 0.8522500 2.456587       0.2647633 2.001148       0.3592766 2.997890       0.3916824 -3.169272      1.704500  
1 1 1 13  27 27 o 65.47145 1.096395  43.10961       1.433214  41.67809       1.959227  44.75744       2.102042  -2.315285      2.192790  
1 1 1 13  27 28 o 36.55531 0.7978993 13.31436       0.5803540 12.40312       0.7742809 14.48267       0.8767209 -2.824089      1.595799  
1 1 1 13  27 29 f 29.46484 0.7620959 8.717090       0.4490998 8.699129       0.6352012 8.735041       0.6350449 -0.6096840E-01 1.524192  
1 1 1 13  27 30 o 36.11552 0.7975529 13.00042       0.5736042 12.02398       0.7689335 14.22554       0.8612995 -3.029648      1.595106  
1 1 1 13  28 0  o 63.18910 0.8172817 39.85463       1.029759  37.88020       1.392083  42.24063       1.530309  -3.435024      1.634563  
1 1 1 13  28 1  o 40.18644 0.6707133 16.16523       0.5388018 16.89505       0.7729031 15.47525       0.7515087 1.764576       1.341427  
1 1 1 13  28 2  o 21.79942 0.6740268 4.720564       0.2919621 5.552574       0.4333855 4.029188       0.3950638 3.490595       1.348054  
1 1 1 13  28 3  o 44.52862 0.6930745 19.79853       0.6159734 18.86382       0.8389552 20.89171       0.9072883 -2.270584      1.386149  
1 1 1 13  28 4  o 47.18739 0.7115095 22.27825       0.6706645 21.69806       0.9215788 22.93144       0.9778457 -1.301376      1.423019  
1 1 1 13  28 5  o 48.20095 0.7168340 23.28127       0.6909547 23.32101       0.9699426 23.24032       0.9845359 0.8517075E-01  1.433668  
1 1 1 13  28 6  o 21.31666 0.6628498 4.540236       0.2819490 4.996809       0.4093266 4.128038       0.3889271 2.035843       1.325700  
1 1 1 13  28 7  o 37.35382 0.6584680 13.96401       0.4915347 14.77330       0.7064503 13.20458       0.6843464 2.097698       1.316936  
1 1 1 13  28 8  o 43.67474 0.6895550 18.87976       0.5986371 21.55648       0.9071942 16.81524       0.7967241 5.416756       1.379110  
1 1 1 13  28 9  o 40.90229 0.6769131 16.72691       0.5530903 16.05280       0.7599166 17.48626       0.8065394 -1.747646      1.353826  
1 1 1 13  28 10 o 38.57222 0.6622642 14.84792       0.5098213 16.20169       0.7464315 13.66414       0.6979957 3.284527       1.324528  
1 1 1 13  28 11 o 26.97279 0.6428634 7.270307       0.3461749 7.910753       0.5025502 6.692029       0.4775373 2.256645       1.285727  
1 1 1 13  28 12 o 15.89989 0.7346266 2.537696       0.2332706 2.455969       0.3355526 2.614134       0.3245131 -0.4987173     1.469253  
1 1 1 13  28 13 f 51.94581 0.7451974 27.00722       0.7731383 26.16235       1.060335  27.96628       1.129726  -1.727444      1.490395  
1 1 1 13  28 14 o 43.24963 0.6981745 18.72809       0.6035011 19.69339       0.8695515 17.83100       0.8382668 2.149239       1.396349  
1 1 1 13  28 15 o 49.40736 0.7323505 24.46581       0.7233407 24.15315       1.005378  24.80134       1.041494  -0.6512947     1.464701  
1 1 1 13  28 16 f 40.38478 1.831943  16.44656       1.479652  16.44656       1.479652  ?              ?         ?              ?         
1 1 1 13  28 17 o 48.94806 1.128493  24.03753       1.104751  24.03753       1.104751  ?              ?         ?              ?         
1 1 1 13  28 18 o 28.47092 0.7347358 7.996410       0.4148852 6.889215       0.5488831 9.472144       0.6336833 -4.524269      1.469472  
1 1 1 13  28 19 o 48.67072 0.8873863 23.77935       0.8635049 24.30195       1.241019  23.28888       1.202264  1.033939       1.774773  
1 1 1 13  28 20 o 18.98575 0.7829077 3.600600       0.2935273 2.868229       0.4003037 4.452323       0.4316916 -4.166925      1.565815  
1 1 1 13  28 21 o 21.31707 0.7525993 4.549561       0.3202715 4.958313       0.4640261 4.177688       0.4425979 1.827559       1.505199  
1 1 1 13  28 22 o 50.98749 0.9184682 25.91413       0.9315223 24.10731       1.240885  28.24701       1.410003  -4.024769      1.836936  
1 1 1 13  28 23 o 39.37794 0.8027206 15.54801       0.6316847 15.06958       0.8722500 16.07567       0.9160312 -1.269726      1.605441  
1 1 1 13  28 24 o 49.03761 0.8984494 24.02174       0.8776262 22.57059       1.178468  25.82871       1.315033  -3.294083      1.796899  
1 1 1 13  28 25 o 64.10526 1.081283  41.06752       1.377997  38.38499       1.830963  44.57189       2.092729  -4.757828      2.162566  
1 1 1 13  28 26 o 59.33227 1.022265  35.46323       1.212978  35.25142       1.703343  35.68113       1.727739  -0.3558235     2.044530  
1 1 1 13  28 27 f 16.54480 0.8520616 2.743407       0.2772873 2.115824       0.3786908 3.468825       0.4071398 -4.083070      1.704123  
1 1 1 13  28 28 o 13.02272 1.162540  1.766866       0.2847696 1.539509       0.4760122 1.893587       0.3553770 -1.393897      2.325079  
1 1 1 13  29 0  o 71.33249 0.8882830 50.89572       1.264514  48.84480       1.720799  53.30323       1.864405  -3.106415      1.776566  
1 1 1 13  29 1  f 51.14109 0.7414955 26.20637       0.7582720 26.93215       1.081736  25.50523       1.063220  1.393066       1.482991  
1 1 1 13  29 2  f 41.51326 0.6832482 17.26450       0.5671480 17.14911       0.7925386 17.38562       0.8119504 -0.2829018     1.366496  
1 1 1 13  29 3  o 16.71989 0.7929155 2.843215       0.2584304 2.099152       0.3630079 3.607862       0.3679946 -4.511143      1.585831  
1 1 1 13  29 4  o 76.65347 0.9300137 58.96531       1.425622  59.91080       2.033920  58.05217       1.998807  1.207359       1.860027  
1 1 1 13  29 5  o 44.43995 0.6982194 19.76555       0.6200220 19.19387       0.8550677 20.39940       0.9003726 -1.351372      1.396439  
1 1 1 13  29 6  o 36.04578 0.6671271 13.02345       0.4806559 13.57165       0.6809362 12.47905       0.6785702 1.515320       1.334254  
1 1 1 13  29 7  o 50.50514 0.7366232 25.50780       0.7430959 27.00401       1.084190  24.18223       1.020493  2.785648       1.473246  
1 1 1 13  29 8  o 43.10310 0.6903687 18.59791       0.5946168 18.07178       0.8202029 19.18075       0.8632802 -1.281273      1.380737  
1 1 1 13  29 9  o 69.41548 0.8777329 48.28498       1.217325  50.24036       1.771130  46.53416       1.675929  2.654900       1.755466  
1 1 1 13  29 10 o 18.14873 0.7170960 3.278827       0.2577845 2.689531       0.3500045 3.977492       0.3811024 -3.544447      1.434192  
1 1 1 13  29 11 o 14.52593 0.7878407 2.120381       0.2279952 2.069505       0.3352958 2.164136       0.3109471 -0.3291092     1.575681  
1 1 1 13  29 12 o 28.45858 1.528103  8.093923       0.8644211 7.166604       1.151712  9.290219       1.308123  -3.688562      3.056206  
1 1 1 13  29 13 o 32.69407 1.938853  10.79230       1.267779  10.79230       1.267779  ?              ?         ?              ?         
1 1 1 13  29 14 f 21.58049 0.7323039 4.627246       0.3140186 3.958169       0.4238279 5.441541       0.4675655 -3.430824      1.464608  
1 1 1 13  29 15 o 4.716133 1.340788  0.9952147E-01  0.1919834 0.1444908      0.2931213 0.6573877E-01  0.2540601 0.6209955      2.681576  
1 1 1 13  29 16 o 56.60717 0.9835668 32.07271       1.110476  34.17391       1.646899  30.32092       1.503747  3.375202       1.967134  
1 1 1 13  29 17 o 49.40366 0.9002547 24.51197       0.8893379 24.97235       1.273434  24.07364       1.242562  0.9039192      1.800509  
1 1 1 13  29 18 o 49.62470 0.9010601 24.74728       0.8942554 24.95906       1.272164  24.54042       1.257304  0.4188919      1.802120  
1 1 1 13  29 19 o 44.17599 0.8432139 19.56160       0.7440839 18.78885       1.021812  20.43396       1.085677  -1.849979      1.686428  
1 1 1 13  29 20 o 68.80789 1.133519  47.69908       1.559337  48.65368       2.242310  46.80511       2.169942  1.325188       2.267038  
1 1 1 13  29 21 o 34.38237 0.7670164 11.81528       0.5262952 12.82998       0.7733684 10.94002       0.7182698 2.738838       1.534033  
1 1 1 13  29 22 o 42.15445 0.8298928 17.85184       0.6996474 17.83619       0.9850121 17.86778       0.9939500 -0.3571701E-01 1.659786  
1 1 1 13  29 23 o 16.13634 0.8524833 2.626268       0.2727451 2.208337       0.3820774 3.060525       0.3894685 -2.639021      1.704967  
1 1 1 13  29 24 o 27.75294 0.7466100 7.720098       0.4140328 7.292444       0.5737059 8.184923       0.5981186 -1.603397      1.493220  
1 1 1 13  29 25 o 26.52573 0.7478732 7.049629       0.3963619 6.720934       0.5463496 7.414840       0.5758978 -1.302530      1.495746  
1 1 1 13  30 0  o 16.53416 0.8952668 2.747699       0.2957132 2.844882       0.4136901 2.646158       0.4228640 0.6023846      1.790534  
1 1 1 13  30 1  o 28.33364 0.7662153 8.014984       0.4330867 7.302959       0.5917619 8.836236       0.6355320 -2.699862      1.532431  
1 1 1 13  30 2  o 40.28590 0.8277316 16.12557       0.6635262 17.99748       1.000928  14.65806       0.8862397 4.127934       1.655463  
1 1 1 13  30 3  o 39.10822 0.7538111 15.40959       0.5829306 14.82838       0.8846078 15.85568       0.7749999 -1.327896      1.507622  
1 1 1 13  30 4  f 47.79745 0.7258775 22.75692       0.6914963 24.79303       1.031289  21.09375       0.9320680 3.857037       1.451755  
1 1 1 13  30 5  f 64.24373 0.8395360 41.41719       1.078669  41.32492       1.519151  41.51101       1.531864  -0.1429520     1.679072  
1 1 1 13  30 6  o 42.47058 0.7385374 18.13538       0.6256251 19.23898       0.8729940 16.97016       0.8970306 2.674202       1.477075  
1 1 1 13  30 7  o 49.32395 1.064139  24.48809       0.9592542 24.41972       1.757759  24.51710       1.144744  -0.2133026     2.128279  
1 1 1 13  30 8  o 71.66258 1.810775  53.26188       2.427334  55.36281       2.985295  49.16306       4.169755  4.708885       3.621549  
1 1 1 13  30 9  o 25.67547 1.001434  6.609902       0.5142457 6.609902       0.5142457 ?              ?         ?              ?         
1 1 1 13  30 10 o 64.17978 1.006135  41.47445       1.282271  41.89912       1.719042  40.94179       1.925235  0.7859802      2.012271  
1 1 1 13  30 11 o 24.60473 0.7386339 5.975714       0.3592055 4.838805       0.4783565 7.445645       0.5439228 -5.287888      1.477268  
1 1 1 13  30 12 f 50.09238 0.9037963 25.19145       0.9050838 25.77487       1.303365  24.64810       1.257814  1.116467       1.807593  
1 1 1 13  30 13 o 20.84024 0.7563236 4.315121       0.3128988 5.134228       0.4663294 3.644353       0.4219962 3.567677       1.512647  
1 1 1 13  30 14 o 18.84672 0.7677820 3.571304       0.2888718 3.381308       0.4130511 3.753197       0.4041472 -0.9880981     1.535564  
1 1 1 13  30 15 o 32.12224 0.7518829 10.26157       0.4808300 9.182059       0.6463872 11.59896       0.7194596 -3.749758      1.503766  
1 1 1 13  30 16 o 31.23540 0.7426468 9.680718       0.4613269 10.97488       0.6972214 8.672917       0.6152670 3.671446       1.485294  
1 1 1 13  30 17 o 40.33266 0.8075486 16.32205       0.6511422 15.90957       0.9051072 16.76453       0.9374526 -1.054047      1.615097  
1 1 1 13  30 18 o 37.84251 0.7873232 14.36046       0.5954965 13.86250       0.8243768 14.90382       0.8611444 -1.369198      1.574646  
1 1 1 13  30 19 o 70.93248 1.162575  50.76816       1.649098  51.30988       2.353929  50.24602       2.311017  0.7379150      2.325150  
1 1 1 13  30 20 o 22.01719 0.7515724 4.867840       0.3306561 4.848752       0.4772825 4.885458       0.4585186 -0.8691216E-01 1.503145  
1 1 1 13  30 21 o 47.66850 0.8855593 22.84288       0.8441727 22.55996       1.183134  23.13627       1.204842  -0.5997505     1.771119  
1 1 1 13  30 22 f 32.03571 0.7642958 10.26909       0.4888502 11.01051       0.7161222 9.622105       0.6689619 2.158096       1.528592  
1 1 1 13  30 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 13  31 0  o 43.76226 0.7525019 19.26410       0.6557209 19.89352       0.8953700 18.53604       0.9629751 1.560493       1.505004  
1 1 1 13  31 1  o 32.05557 0.7159373 10.17518       0.4532307 9.546077       0.5886797 11.09089       0.7102237 -2.393044      1.431875  
1 1 1 13  31 2  o 19.44650 1.359075  3.690536       0.4077359 4.026723       0.9743993 3.619174       0.4489294 0.9169350      2.718150  
1 1 1 13  31 3  o 33.74677 1.935104  11.65741       1.114295  11.68987       1.280063  11.55585       2.264052  0.5554886      3.870209  
1 1 1 13  31 4  o 51.23389 1.170197  26.34965       1.199075  26.34965       1.199075  ?              ?         ?              ?         
1 1 1 13  31 5  f 54.37376 0.9608238 29.71585       1.044794  29.49320       1.466793  29.94517       1.488573  -0.4114456     1.921648  
1 1 1 13  31 6  o 31.98902 0.7674329 10.25098       0.4905840 9.859693       0.6773646 10.68267       0.7114726 -1.281115      1.534866  
1 1 1 13  31 7  o 64.05746 1.076445  41.26338       1.378152  42.42785       1.994335  40.19908       1.906624  1.720535       2.152889  
1 1 1 13  31 8  o 26.71980 0.7483567 7.145305       0.3992073 6.579012       0.5507669 7.772125       0.5794536 -2.228142      1.496713  
1 1 1 13  31 9  o 39.45815 0.8034994 15.57717       0.6328466 16.51686       0.9313202 14.77106       0.8625872 2.200111       1.606999  
1 1 1 13  31 10 o 20.81110 0.7720912 4.336517       0.3198117 3.773480       0.4409125 4.961621       0.4645792 -2.850515      1.544182  
1 1 1 13  31 11 o 20.64022 0.7525815 4.281995       0.3101332 4.029452       0.4413317 4.528369       0.4359078 -1.209505      1.505163  
1 1 1 13  31 12 o 7.897949 1.326809  0.6414732      0.2068240 0.8182274      0.3132831 0.5049219      0.2753594 1.879362       2.653618  
1 1 1 13  31 13 o 50.52524 0.9093512 25.66240       0.9188963 25.65849       1.296887  25.66634       1.302161  -0.6690979E-02 1.818702  
1 1 1 13  31 14 o 47.20147 0.8736060 22.23806       0.8214262 20.72331       1.103104  24.12346       1.230684  -3.575970      1.747212  
1 1 1 13  31 15 o 20.73192 0.7509021 4.313090       0.3110749 4.347560       0.4503268 4.281630       0.4302147 0.1553898      1.501804  
1 1 1 13  31 16 o 56.05630 0.9757436 31.58566       1.092821  30.58920       1.504639  32.69817       1.589842  -1.860317      1.951487  
1 1 1 13  31 17 o 47.43842 0.8803208 22.60216       0.8346511 23.30499       1.207992  21.96012       1.154569  1.405704       1.760642  
1 1 1 13  31 18 o 17.84729 0.8006036 3.197452       0.2852418 3.229622       0.4172072 3.169214       0.3908657 0.1640892      1.601207  
1 1 1 13  31 19 o 26.60708 1.046238  0.000000       0.000000  ?              ?         7.106780       0.5567465 ?              ?         
1 1 1 13  32 0  o 51.18455 0.8881483 26.27876       0.9008697 25.97708       1.192752  26.67941       1.374546  -0.6506767     1.776297  
1 1 1 13  32 1  o 61.18442 0.9829063 37.71631       1.192762  38.09233       1.592151  37.23535       1.800672  0.7457848      1.965813  
1 1 1 13  32 2  o 55.14140 0.9277890 29.96067       0.9970394 28.03115       1.257713  33.22411       1.635669  -4.630371      1.855578  
1 1 1 13  32 3  o 37.20575 0.8168212 13.88168       0.6073830 13.27409       0.8415624 14.54227       0.8775027 -1.697731      1.633642  
1 1 1 13  32 4  o 65.85325 1.103013  43.44406       1.446999  40.99912       1.943958  46.48186       2.166873  -4.108364      2.206026  
1 1 1 13  32 5  o 10.35514 1.215100  1.090790       0.2412243 1.434752       0.3593595 0.8086926      0.3254422 3.161812       2.430199  
1 1 1 13  32 6  o 20.64418 0.7856969 4.277021       0.3243254 4.334332       0.4647654 4.222621       0.4527994 0.2684822      1.571394  
1 1 1 13  32 7  o 36.21041 0.7857882 13.15679       0.5689327 12.82404       0.7944657 13.50706       0.8151162 -0.9394798     1.571576  
1 1 1 13  32 8  o 46.00230 0.8668224 21.17420       0.7955477 22.56647       1.176744  20.00217       1.079663  2.767910       1.733645  
1 1 1 13  32 9  o 48.51912 0.8903860 23.63483       0.8633736 22.92230       1.193177  24.41791       1.250853  -1.529278      1.780772  
1 1 1 13  32 10 o 20.60389 0.7624334 4.251719       0.3138050 4.506612       0.4568800 4.024086       0.4317594 1.166368       1.524867  
1 1 1 13  32 11 o 17.45091 0.8248083 3.067914       0.2838858 2.436978       0.3934571 3.753034       0.4100042 -3.767389      1.649617  
1 1 1 13  32 12 o 38.20038 0.7939171 14.65831       0.6065404 14.50552       0.8565026 14.81201       0.8590586 -0.4006538     1.587834  
1 1 1 13  32 13 o 32.63897 0.7572230 10.67741       0.4938650 11.16626       0.7166604 10.23533       0.6815247 1.419525       1.514446  
1 1 1 13  32 14 o 27.25771 0.7458598 7.407129       0.4049221 6.562222       0.5494211 8.411703       0.5990900 -3.383553      1.491720  
1 1 1 13  32 15 f 13.26050 1.240575  0.000000       0.000000  ?              ?         1.767995       0.3290129 ?              ?         
1 1 1 13  33 0  o 45.29454 0.8898087 20.58525       0.8052626 19.74892       1.109086  21.51767       1.171067  -1.939548      1.779617  
1 1 1 13  33 1  o 42.18823 0.8584477 17.83753       0.7233047 16.92321       0.9917637 18.87645       1.057182  -2.301590      1.716895  
1 1 1 13  33 2  o 85.65964 1.371578  74.23009       2.347785  72.34335       3.240436  76.31495       3.406309  -2.263474      2.743155  
1 1 1 13  33 3  o 9.005516 1.446670  0.8574210      0.2544483 0.8194246      0.3740339 0.8901526      0.3471559 -0.3942900     2.893339  
1 1 1 13  33 4  o 19.35278 0.8140998 3.758202       0.3148957 3.895899       0.4554305 3.632078       0.4358726 0.6776352      1.628200  
1 1 1 13  33 5  f 16.64240 0.9832835 2.838631       0.3059466 1.649938       0.4172613 4.220751       0.4499311 -7.716088      1.966567  
1 1 1 13  33 6  o 50.90408 0.9265576 26.06964       0.9432722 26.13485       1.340807  26.00574       1.327272  0.1236763      1.853115  
1 1 1 13  33 7  o 26.36995 0.7545363 6.985039       0.3975938 6.642797       0.5618557 7.328324       0.5627103 -1.299665      1.509073  
1 1 1 13  33 8  f 19.87482 0.8109891 3.993936       0.3194109 3.385954       0.4528735 4.595736       0.4505657 -3.043955      1.621978  
1 1 1 13  33 9  o 36.12763 0.7848889 13.10440       0.5670308 13.30552       0.8109285 12.91199       0.7931716 0.5412178      1.569778  
1 1 1 13  33 10 f 29.67953 0.7517554 8.841811       0.4461715 9.000031       0.6374556 8.689862       0.6247013 0.5201092      1.503511  
1 1 1 13  33 11 o 28.68643 1.651255  0.000000       0.000000  ?              ?         8.311463       0.9473721 ?              ?         
1 1 1 13  34 0  f 50.25655 0.9372734 25.37355       0.9410284 26.22066       1.370760  24.61845       1.294170  1.576191       1.874547  
1 1 1 13  34 1  o 50.95052 0.9457130 26.12269       0.9636483 25.78487       1.356998  26.46637       1.368686  -0.6660080     1.891426  
1 1 1 13  34 2  o 46.87173 1.133232  22.04874       0.9842049 22.50365       1.769443  21.84495       1.184315  0.5367393      2.266463  
1 1 1 13  34 3  o 14.05939 1.429367  0.000000       0.000000  ?              ?         1.991410       0.4019203 ?              ?         
1 1 1 14  0  0  o 43.59152 0.8481393 19.04624       0.7381831 18.90647       1.043396  19.18631       1.044502  -0.000000      0.000000  
1 1 1 14  0  1  o 163.5503 2.444017  267.9366       7.986318  268.9001       11.33314  266.9861       11.25597  -0.000000      0.000000  
1 1 1 14  0  2  o 148.9904 2.234574  222.2499       6.649426  225.8725       9.562671  218.8586       9.252420  -0.000000      0.000000  
1 1 1 14  0  3  o 109.9886 1.691439  121.1545       3.716568  122.3416       5.296912  120.0035       5.216062  -0.000000      0.000000  
1 1 1 14  0  4  o 142.9034 2.148343  204.5516       6.133778  203.7679       8.638069  205.3487       8.711337  -0.000000      0.000000  
1 1 1 14  0  5  o 147.9694 2.225001  219.3278       6.578011  219.2285       9.304167  219.4271       9.301257  -0.000000      0.000000  
1 1 1 14  0  6  o 152.0571 2.279733  231.5586       6.924514  234.4489       9.919084  228.8109       9.671107  -0.000000      0.000000  
1 1 1 14  0  7  o 111.8026 1.710175  125.0893       3.817216  128.0652       5.528127  122.3773       5.277318  -0.000000      0.000000  
1 1 1 14  0  8  o 204.7363 3.038886  419.9294       12.42713  426.0295       17.84960  414.1913       17.31196  -0.000000      0.000000  
1 1 1 14  0  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  0  10 o 110.0194 1.686650  121.2440       3.707191  121.9583       5.276515  120.5476       5.209644  -0.000000      0.000000  
1 1 1 14  0  11 o 340.2880 5.018268  1162.779       34.12002  1161.946       48.22189  1163.615       48.28416  -0.000000      0.000000  
1 1 1 14  0  12 o 433.9971 6.400799  1893.890       55.49013  1870.054       77.41845  1919.073       79.57580  -0.000000      0.000000  
1 1 1 14  0  13 o 144.7429 2.178028  209.9010       6.298717  209.6610       8.901229  210.1417       8.914248  -0.000000      0.000000  
1 1 1 14  0  14 o 81.32968 1.303608  66.25993       2.118002  65.89866       2.989897  66.62384       3.000746  -0.000000      0.000000  
1 1 1 14  0  15 o 142.4388 2.146691  203.2155       6.107468  205.9775       8.764921  200.6087       8.515027  -0.000000      0.000000  
1 1 1 14  0  16 o 36.04443 0.8345644 13.02827       0.5999385 13.24510       0.8641296 12.82650       0.8335772 -0.000000      0.000000  
1 1 1 14  0  17 o 18.68227 0.9603758 3.493149       0.3521497 4.126179       0.5353157 3.010220       0.4675620 -0.000000      0.000000  
1 1 1 14  0  18 o 78.93469 1.565766  63.31428       2.375211  65.78314       3.012694  59.25905       3.861119  -0.000000      0.000000  
1 1 1 14  0  19 o 17.97460 1.520294  3.300333       0.5390088 3.300333       0.5390088 3.300333       0.5390088 -0.000000      0.000000  
1 1 1 14  0  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  0  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  0  22 o 40.70742 1.095367  16.77865       0.8361793 16.25651       1.441188  17.04362       1.026651  -0.000000      0.000000  
1 1 1 14  0  23 o 193.0331 2.879483  373.8670       11.10319  369.2545       15.50522  378.7216       15.90705  -0.000000      0.000000  
1 1 1 14  0  24 o 193.0314 2.880593  373.2711       11.08934  361.2466       15.14069  387.1861       16.28740  -0.000000      0.000000  
1 1 1 14  0  25 o 117.7580 1.807123  138.9870       4.250311  140.8049       6.100836  137.2726       5.924728  -0.000000      0.000000  
1 1 1 14  0  26 o 21.95770 0.9386966 4.896550       0.4072119 4.481196       0.5846000 5.288026       0.5675476 -0.000000      0.000000  
1 1 1 14  0  27 o 88.64937 1.412420  78.76144       2.500727  79.63244       3.585016  77.93599       3.490021  -0.000000      0.000000  
1 1 1 14  0  28 o 15.67623 1.113947  2.589334       0.3339040 2.174984       0.5004271 2.921839       0.4482868 -0.000000      0.000000  
1 1 1 14  0  29 o 78.99899 1.289948  62.57297       2.035647  62.10497       2.873271  63.04463       2.884442  -0.000000      0.000000  
1 1 1 14  0  30 o 38.05557 0.8785061 14.54769       0.6665273 14.04630       0.9497368 15.03430       0.9356451 -0.000000      0.000000  
1 1 1 14  0  31 f 69.73375 1.177171  48.62440       1.635741  50.64105       2.415636  46.91668       2.222934  -0.000000      0.000000  
1 1 1 14  0  32 o 9.932749 1.882389  1.151668       0.3209036 1.416567       0.4987143 0.9644867      0.4192199 -0.000000      0.000000  
1 1 1 14  0  33 o 81.30168 1.327416  66.31040       2.155726  66.27421       3.065630  66.34579       3.031962  -0.000000      0.000000  
1 1 1 14  0  34 o 19.14435 1.057633  3.616628       0.3918560 4.783849       0.6153319 2.820349       0.5082358 -0.000000      0.000000  
1 1 1 14  0  35 o 27.31684 0.9099799 7.559909       0.4918272 6.980475       0.7163559 8.076593       0.6764555 -0.000000      0.000000  
1 1 1 14  0  36 f 31.67704 0.9074107 10.06682       0.5705089 10.37751       0.8512062 9.813429       0.7687265 -0.000000      0.000000  
1 1 1 14  0  37 o 7.409859 2.200046  0.7355992      0.3270216 1.025703       0.5279317 0.5549808      0.4165643 -0.000000      0.000000  
1 1 1 14  0  38 o 17.66161 1.184644  3.199581       0.4070543 3.273015       0.6253511 3.145592       0.5362009 -0.000000      0.000000  
1 1 1 14  0  39 o 3.689716 1.736434  -0.1009352     0.3313559 -0.3318090     0.5465969 0.3320784E-01  0.4166428 -0.000000      0.000000  
1 1 1 14  0  40 o 5.312227 2.167956  0.3457046      0.3575954 0.4736596      0.5755153 0.2652388      0.4563876 -0.000000      0.000000  
1 1 1 14  0  41 o 65.98775 1.462821  44.41491       1.841153  45.89008       2.311130  41.85242       3.046019  -0.000000      0.000000  
1 1 1 14  0  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  0  43 o 13.99074 1.739301  2.188365       0.4212840 1.934421       0.6640133 2.359452       0.5450248 -0.000000      0.000000  
1 1 1 14  0  44 o 50.02354 1.049364  25.16641       1.046856  24.82558       1.507075  25.48420       1.455242  -0.000000      0.000000  
1 1 1 14  0  45 o 37.81500 1.000863  14.34667       0.7473707 14.73759       1.145446  14.05687       0.9862203 -0.000000      0.000000  
1 1 1 14  0  46 o 9.153988 2.295704  1.191784       0.4246952 0.7046607      0.6668841 1.524125       0.5508369 -0.000000      0.000000  
1 1 1 14  0  47 o 4.895079 2.154850  0.1920004      0.4079862 0.1030828      0.6713582 0.2440659      0.5137301 -0.000000      0.000000  
1 1 1 14  0  48 o 19.12224 1.375015  3.834451       0.4949274 3.621788       0.8074276 3.962447       0.6264051 -0.000000      0.000000  
1 1 1 14  0  49 o 5.621745 2.329038  0.3119528      0.4200773 0.6669599      0.7069185 0.1181626      0.5222959 -0.000000      0.000000  
1 1 1 14  0  50 o 4.515045 2.072138  -0.1795404     0.4228628 0.3979594      0.6992502 -0.5125034     0.5309512 -0.000000      0.000000  
1 1 1 14  0  51 o 6.464868 2.282365  0.4243970      0.4881968 -0.6356178     0.7713282 1.132843       0.6305751 -0.000000      0.000000  
1 1 1 14  1  0  o 521.9789 5.427368  2732.751       56.63716  2690.834       78.78384  2777.583       81.47816  -8.248962      10.85474  
1 1 1 14  1  1  o 230.2094 2.403857  529.4566       11.05203  546.0963       16.15405  514.8140       15.15373  6.783890       4.807713  
1 1 1 14  1  2  o 151.4454 1.600792  229.4324       4.848640  229.1651       6.847684  229.7012       6.866380  -0.1768494     3.201584  
1 1 1 14  1  3  o 182.2716 1.914988  331.8716       6.971683  322.8596       9.568556  342.0694       10.17859  -5.263931      3.829977  
1 1 1 14  1  4  o 151.8487 1.606143  230.6614       4.877716  231.2993       6.923660  230.0327       6.872883  0.4166870      3.212285  
1 1 1 14  1  5  o 278.9216 2.908800  775.8459       16.17336  816.0222       24.07161  742.7839       21.83657  13.09396       5.817600  
1 1 1 14  1  6  o 203.1078 3.008692  413.0656       12.22011  409.3654       17.11377  416.9149       17.45498  -1.852615      6.017383  
1 1 1 14  1  7  o 299.6485 3.118349  899.3821       18.68750  903.5536       26.56255  895.2939       26.29571  1.373077       6.236698  
1 1 1 14  1  8  o 196.1893 2.057385  384.8509       8.066184  376.7328       11.14207  393.7909       11.69244  -4.339676      4.114770  
1 1 1 14  1  9  f 131.9103 1.407108  173.9382       3.709786  170.5163       5.135697  177.6720       5.364651  -2.709961      2.814216  
1 1 1 14  1  10 o 125.0509 1.339486  156.1931       3.345696  151.8945       4.592725  161.0538       4.883730  -3.659096      2.678972  
1 1 1 14  1  11 o 174.9060 2.605669  306.3502       9.113824  308.9543       13.01108  303.8416       12.77009  1.456528       5.211339  
1 1 1 14  1  12 o 193.3557 2.028588  374.0303       7.841671  368.4263       10.90768  380.0248       11.28135  -2.993332      4.057175  
1 1 1 14  1  13 f 106.0278 1.157567  112.4533       2.454678  112.2419       3.472936  112.6643       3.469945  -0.1992111     2.315134  
1 1 1 14  1  14 o 279.3587 2.912331  781.5133       16.26236  767.5417       22.54647  796.6642       23.47876  -5.188873      5.824661  
1 1 1 14  1  15 o 417.8421 4.350109  1753.902       36.34371  1776.009       52.11178  1732.968       50.71233  5.095032       8.700218  
1 1 1 14  1  16 o 65.11826 0.7811539 42.37160       1.016686  41.37542       1.407283  43.45916       1.470417  -1.599495      1.562308  
1 1 1 14  1  17 o 194.9407 2.535566  373.6816       9.061103  398.3208       16.79111  363.5585       10.76271  8.759979       5.071132  
1 1 1 14  1  18 o 110.2145 1.696861  121.4887       3.737986  124.0485       5.403292  119.1392       5.176613  2.222946       3.393723  
1 1 1 14  1  19 f 76.38803 1.142622  56.98376       1.666210  53.96033       2.044269  62.96745       2.875894  -5.884438      2.285243  
1 1 1 14  1  20 o 83.17699 0.9417231 69.20095       1.566490  69.73001       2.231035  68.68649       2.199993  0.6268997      1.883446  
1 1 1 14  1  21 o 172.8626 2.215472  302.8455       7.376916  312.7751       9.343897  286.4161       12.01916  7.714417       4.430943  
1 1 1 14  1  22 o 102.9122 1.594069  105.4555       3.267209  112.1541       4.899154  100.0901       4.384610  5.847633       3.188139  
1 1 1 14  1  23 o 137.8502 2.085306  189.3163       5.720249  201.7792       8.625032  179.5299       7.643006  8.029388       4.170612  
1 1 1 14  1  24 o 128.1648 1.671609  166.3703       4.122095  157.7168       6.738899  171.5439       5.210586  -5.451950      3.343219  
1 1 1 14  1  25 o 138.9749 1.485904  193.3913       4.128863  196.1445       5.925512  190.7931       5.756349  1.918640       2.971807  
1 1 1 14  1  26 o 160.9906 1.708976  259.6483       5.498927  254.5577       7.612263  265.2037       7.952184  -3.288132      3.417951  
1 1 1 14  1  27 f 54.16334 0.7013783 29.35025       0.7597685 29.29181       1.071122  29.40942       1.077860  -0.1084061     1.402757  
1 1 1 14  1  28 o 20.45846 0.6638566 4.188287       0.2689824 5.001392       0.3893523 3.445901       0.3720355 3.801132       1.327713  
1 1 1 14  1  29 o 92.65984 1.036810  85.97556       1.921409  86.09084       2.720602  85.86083       2.713975  0.1238022      2.073620  
1 1 1 14  1  30 o 49.71075 0.6786276 24.68912       0.6741679 25.74875       0.9770294 23.72606       0.9314384 2.032970       1.357255  
1 1 1 14  1  31 o 45.64853 0.6538719 20.74823       0.5953476 19.45794       0.8065739 22.29262       0.8824272 -3.102287      1.307744  
1 1 1 14  1  32 o 41.46485 0.6365767 17.20303       0.5278909 17.37751       0.7503565 17.03204       0.7428018 0.4163170      1.273153  
1 1 1 14  1  33 f 55.63808 0.7262262 30.69025       0.8033357 28.38918       1.067449  33.69571       1.219936  -4.761696      1.452452  
1 1 1 14  1  34 o 57.27698 0.7399463 32.76421       0.8463565 31.48274       1.158630  34.23033       1.239295  -2.394321      1.479893  
1 1 1 14  1  35 o 78.53687 0.9169943 61.51349       1.435731  58.50066       1.938333  65.17569       2.137039  -4.235634      1.833989  
1 1 1 14  1  36 o 33.48232 0.6385770 11.22035       0.4275819 11.00993       0.6014029 11.43544       0.6080357 -0.6350632     1.277154  
1 1 1 14  1  37 o 82.36539 0.9551613 67.96903       1.572748  66.71054       2.185161  69.32168       2.265414  -1.577690      1.910323  
1 1 1 14  1  38 o 25.00518 0.6903445 6.248347       0.3448437 5.868567       0.4762181 6.667036       0.5000172 -1.594881      1.380689  
1 1 1 14  1  39 o 59.60365 0.7734576 35.58958       0.9219450 35.94511       1.313971  35.24482       1.293914  0.5857010      1.546915  
1 1 1 14  1  40 o 46.18084 1.182332  0.000000       0.000000  ?              ?         21.37910       1.092021  ?              ?         
1 1 1 14  1  41 o 27.77970 1.004091  7.625400       0.5508993 8.498555       0.8651925 7.029999       0.7144498 2.622820       2.008182  
1 1 1 14  1  42 o 59.91278 0.7863880 35.83678       0.9400642 33.89526       1.276847  38.13481       1.389144  -3.525665      1.572776  
1 1 1 14  1  43 f 24.49819 1.070636  6.151627       0.5125196 6.783374       0.6799682 5.320573       0.7798864 3.001015       2.141273  
1 1 1 14  1  44 o 26.82746 0.8657472 7.408182       0.4481791 6.417329       0.7068754 8.074254       0.5795597 -3.106050      1.731494  
1 1 1 14  1  45 o 25.79201 0.7541665 6.651077       0.3880992 6.038133       0.5343117 7.335616       0.5646547 -2.511251      1.508333  
1 1 1 14  1  46 o 27.94729 0.7461647 7.809582       0.4161889 8.557217       0.6056682 7.140748       0.5728611 2.529705       1.492329  
1 1 1 14  1  47 o 35.14388 0.7156903 12.35639       0.5024228 13.14976       0.7310193 11.64611       0.6916782 2.133667       1.431381  
1 1 1 14  1  48 o 6.921021 1.702283  0.3865179      0.3063276 0.1055308      0.4265618 0.6857389      0.4401846 -2.502517      3.404567  
1 1 1 14  1  49 o 8.543758 1.569735  0.7045236      0.3092760 1.326984       0.4508731 0.1513634      0.4250342 5.451054       3.139470  
1 1 1 14  1  50 o 53.82836 0.7869635 29.09797       0.8472109 29.25070       1.201105  28.94674       1.195192  0.2812004      1.573927  
1 1 1 14  1  51 o 26.25456 0.8272877 6.903750       0.4336567 6.403972       0.5956161 7.467557       0.6326217 -2.018057      1.654575  
1 1 1 14  2  0  o 410.5501 6.041985  1688.585       49.49840  1755.098       72.99086  1631.953       67.35136  14.85178       12.08397  
1 1 1 14  2  1  o 117.3836 1.782076  137.8225       4.182987  136.7473       5.851768  138.9459       5.981644  -0.9354630     3.564151  
1 1 1 14  2  2  o 218.2068 2.285173  474.9102       9.944116  496.1516       14.74556  457.1916       13.46740  8.913574       4.570347  
1 1 1 14  2  3  o 167.8586 1.767514  281.8864       5.933818  282.3551       8.407619  281.4212       8.375845  0.2778931      3.535028  
1 1 1 14  2  4  o 216.3383 2.262283  466.7874       9.760059  448.8265       13.21522  488.3401       14.47646  -9.117523      4.524566  
1 1 1 14  2  5  o 96.39883 1.059107  92.93030       2.041761  93.94718       2.910750  91.94529       2.864771  1.038071       2.118214  
1 1 1 14  2  6  o 177.4051 1.864874  314.7864       6.614605  310.4459       9.214617  319.4008       9.500878  -2.520737      3.729748  
1 1 1 14  2  7  o 72.23867 0.8335402 51.73252       1.197003  56.27756       1.818549  48.25806       1.590012  5.549484       1.667080  
1 1 1 14  2  8  o 114.5350 1.235319  130.9154       2.824531  126.4723       3.855988  136.0596       4.149076  -4.182831      2.470638  
1 1 1 14  2  9  o 73.76048 0.8436598 54.34693       1.243431  55.92264       1.806005  52.92683       1.714514  2.030174       1.687320  
1 1 1 14  2  10 o 61.00252 0.7327380 37.21360       0.8939116 36.89942       1.254945  37.53720       1.273626  -0.5226402     1.465476  
1 1 1 14  2  11 f 113.4468 1.225754  127.8893       2.766074  136.6688       4.181550  121.0586       3.688347  6.875145       2.451509  
1 1 1 14  2  12 o 120.5728 1.295095  145.3922       3.122313  143.7436       4.358994  147.1293       4.474504  -1.402817      2.590190  
1 1 1 14  2  13 o 141.1772 2.127233  199.4833       6.005488  197.5851       8.408663  201.4597       8.580014  -1.369278      4.254467  
1 1 1 14  2  14 o 353.9528 4.510342  1263.339       30.26705  1245.886       51.63622  1272.474       37.35769  -4.313324      9.020684  
1 1 1 14  2  15 o 234.8108 3.481715  552.8005       16.34302  544.1656       22.69758  562.0970       23.55108  -3.791000      6.963430  
1 1 1 14  2  16 o 231.5853 3.430375  537.4399       15.87275  551.1861       23.06890  525.0812       21.87366  5.596237       6.860750  
1 1 1 14  2  17 o 125.6302 1.674468  154.4716       3.847249  149.6048       4.557065  166.5468       7.178133  -6.697327      3.348936  
1 1 1 14  2  18 o 152.4268 1.619400  229.4446       4.882532  213.1213       6.364614  252.7891       7.611316  -12.98956      3.238800  
1 1 1 14  2  19 o 52.43700 0.7519984 27.60791       0.7822392 26.60197       1.171879  28.41633       1.050547  -1.731129      1.503997  
1 1 1 14  2  20 o 164.6105 1.741766  270.8000       5.725572  263.0175       7.842980  279.6802       8.377819  -5.048477      3.483531  
1 1 1 14  2  21 o 18.01006 0.7235972 3.242579       0.2600696 3.545037       0.3731988 2.957030       0.3626174 1.632318       1.447194  
1 1 1 14  2  22 o 58.18042 0.7351750 33.81015       0.8546861 32.76432       1.178523  34.97044       1.241339  -1.895149      1.470350  
1 1 1 14  2  23 o 20.41604 0.7308041 4.057114       0.2933632 3.589865       0.3751709 4.792376       0.4706257 -2.943584      1.461608  
1 1 1 14  2  24 o 87.51501 1.386660  76.68546       2.427065  76.90814       3.435460  76.46357       3.429326  0.2537918      2.773319  
1 1 1 14  2  25 o 176.9975 2.648665  314.8686       9.373498  310.9310       13.07219  319.0359       13.44805  -2.262497      5.297330  
1 1 1 14  2  26 o 88.68607 1.220662  78.23888       2.029556  80.24453       3.576922  77.28658       2.464727  1.624779       2.441324  
1 1 1 14  2  27 o 120.0905 1.299854  144.4495       3.121906  143.8653       4.394577  145.0447       4.435795  -0.4892197     2.599707  
1 1 1 14  2  28 o 98.87206 1.094856  97.85199       2.164305  96.40952       3.014702  99.38617       3.109059  -1.501076      2.189713  
1 1 1 14  2  29 o 43.82213 0.6377468 19.19695       0.5587029 19.89653       0.8037708 18.54294       0.7771520 1.543648       1.275494  
1 1 1 14  2  30 o 87.74064 0.9910470 77.08757       1.739093  77.26456       2.464257  76.91196       2.454669  0.2004700      1.982094  
1 1 1 14  2  31 o 19.54926 0.6914549 3.830756       0.2695786 4.175702       0.3820384 3.488673       0.3804500 1.757114       1.382910  
1 1 1 14  2  32 o 38.67971 0.6300547 14.87960       0.4859192 13.61946       0.6585313 16.38578       0.7199565 -3.573761      1.260109  
1 1 1 14  2  33 o 37.64607 0.6237287 14.09441       0.4681374 13.00195       0.6328851 15.41430       0.6956497 -3.201424      1.247457  
1 1 1 14  2  34 o 61.62955 0.7743118 37.44698       0.9449908 34.11556       1.235072  42.15128       1.467660  -6.506741      1.548624  
1 1 1 14  2  35 o 46.90107 0.6753647 22.01881       0.6334962 21.94275       0.8928379 22.09591       0.8989916 -0.1629562     1.350729  
1 1 1 14  2  36 o 70.26707 0.8458627 49.45878       1.188699  49.19907       1.674227  49.72279       1.688006  -0.3716583     1.691725  
1 1 1 14  2  37 o 59.31330 0.7641364 35.23654       0.9064538 35.02920       1.277467  35.44680       1.286418  -0.3513641     1.528273  
1 1 1 14  2  38 o 38.13106 0.7296478 14.56097       0.5454950 14.57229       0.8611955 14.55338       0.7049457 0.1284790E-01  1.459296  
1 1 1 14  2  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  2  40 o 47.19760 0.7003399 22.30246       0.6608292 23.19281       0.9459889 21.45390       0.9235232 1.840187       1.400680  
1 1 1 14  2  41 o 29.07182 0.6834292 8.398602       0.3957333 7.538280       0.5337122 9.449183       0.5897820 -3.281349      1.366858  
1 1 1 14  2  42 o 47.52818 0.8632443 22.92500       0.7850674 23.62526       0.9853401 21.70775       1.299109  2.055050       1.726489  
1 1 1 14  2  43 o 44.60464 0.7083933 19.76579       0.6290821 18.10470       0.8425171 21.85869       0.9457112 -4.197262      1.416787  
1 1 1 14  2  44 o 48.39543 0.9047348 23.38106       0.8183622 23.14677       0.9916813 23.88121       1.448938  -0.6902580     1.809470  
1 1 1 14  2  45 o 19.54410 1.029444  3.873002       0.3988699 3.461370       0.5819418 4.237727       0.5477813 -1.992323      2.058889  
1 1 1 14  2  46 o 23.89202 0.7823214 5.732222       0.3731595 6.140131       0.5286687 5.327204       0.5267909 1.700981       1.564643  
1 1 1 14  2  47 f 28.20167 0.7508941 7.984505       0.4231224 8.367156       0.5973808 7.599270       0.5993951 1.361717       1.501788  
1 1 1 14  2  48 o 61.82305 0.8252254 38.23678       1.017976  40.53464       1.503866  36.29347       1.382988  3.407894       1.650451  
1 1 1 14  2  49 o 60.33191 0.8191762 36.53390       0.9880950 37.28221       1.420813  35.83301       1.375064  1.192635       1.638352  
1 1 1 14  2  50 o 24.14386 0.8385225 5.867436       0.4040301 6.286469       0.5699163 5.444057       0.5728648 1.745174       1.677045  
1 1 1 14  2  51 o 52.89434 0.8690416 28.15908       0.9083567 27.89155       1.393023  28.35698       1.198117  -0.4811363     1.738083  
1 1 1 14  3  0  o 105.1943 1.141039  110.6760       2.400607  110.9490       3.401236  110.4049       3.388740  0.2585220      2.282079  
1 1 1 14  3  1  o 316.0764 3.286271  1000.449       20.77379  1003.899       29.49531  997.0535       29.26321  1.079315       6.572541  
1 1 1 14  3  2  f 109.2454 1.180645  119.3119       2.578592  117.4577       3.586988  121.2948       3.709453  -1.755493      2.361289  
1 1 1 14  3  3  o 127.6808 1.362954  163.0567       3.480266  162.0709       4.890822  164.0678       4.953454  -0.7815399     2.725908  
1 1 1 14  3  4  o 158.6552 1.677903  251.6827       5.321199  247.8772       7.381679  255.7995       7.677670  -2.494034      3.355807  
1 1 1 14  3  5  o 153.1273 1.619235  234.3935       4.955730  239.4534       7.165858  229.7551       6.861000  3.163925       3.238470  
1 1 1 14  3  6  o 99.37115 1.090896  97.87965       2.153447  106.1919       3.284224  91.61066       2.852149  7.333870       2.181792  
1 1 1 14  3  7  o 217.1659 2.270045  471.9982       9.858265  476.3065       14.07740  467.8521       13.80983  1.942459       4.540091  
1 1 1 14  3  8  o 207.1070 2.168632  428.7632       8.971967  418.1226       12.33265  440.7262       13.07656  -5.445190      4.337264  
1 1 1 14  3  9  o 23.51471 0.5428197 5.511393       0.2545112 4.938042       0.3499742 6.154990       0.3707939 -2.587542      1.085639  
1 1 1 14  3  10 o 58.45937 0.7160889 33.47983       0.8263276 30.07709       1.068507  38.54305       1.303394  -7.239529      1.432178  
1 1 1 14  3  11 o 128.5343 1.379008  164.4971       3.532315  156.5802       4.758276  174.2158       5.272031  -6.854729      2.758017  
1 1 1 14  3  12 o 74.37735 1.044685  56.22639       1.499309  51.74260       2.413487  59.04421       1.913275  -4.912529      2.089370  
1 1 1 14  3  13 o 108.7686 1.677965  118.1489       3.644575  114.3762       4.989780  122.4634       5.336041  -3.712761      3.355930  
1 1 1 14  3  14 o 225.5486 3.344487  509.6530       15.07444  498.3862       20.81737  522.0740       21.85762  -5.220032      6.688974  
1 1 1 14  3  15 o 68.18557 0.9902212 46.92516       1.282054  47.88238       1.590131  45.14707       2.167222  2.011017       1.980442  
1 1 1 14  3  16 o 80.65501 0.9170656 64.29507       1.466203  70.73608       2.263150  59.63622       1.924758  6.877968       1.834131  
1 1 1 14  3  17 o 48.37178 0.6599360 22.54608       0.6250015 19.38080       0.7911600 27.80068       1.019360  -8.701675      1.319872  
1 1 1 14  3  18 o 90.74438 1.011317  82.33305       1.834748  81.00275       2.553154  83.75370       2.638395  -1.514793      2.022633  
1 1 1 14  3  19 o 167.1798 1.767751  279.3103       5.902101  271.2992       8.090129  288.4255       8.629631  -5.110321      3.535502  
1 1 1 14  3  20 o 74.56390 0.8655446 55.59616       1.290456  54.81776       1.801121  56.41721       1.849814  -1.071930      1.731089  
1 1 1 14  3  21 o 183.0149 1.929866  335.5074       7.063882  335.4802       9.994073  335.5345       9.985609  -0.1510620E-01 3.859732  
1 1 1 14  3  22 o 67.53230 0.8087204 45.52323       1.090800  47.44928       1.594443  43.82870       1.495550  2.679214       1.617441  
1 1 1 14  3  23 o 77.04063 0.8885275 59.09307       1.364108  62.65135       2.036639  56.19807       1.837044  4.184448       1.777055  
1 1 1 14  3  24 o 55.29580 0.7152124 30.58673       0.7909507 30.56720       1.115088  30.60650       1.122091  -0.3542328E-01 1.430425  
1 1 1 14  3  25 o 173.4207 1.834214  301.5453       6.361550  300.1448       8.948268  302.9766       9.045706  -0.8113708     3.668428  
1 1 1 14  3  26 f 136.0262 2.061022  185.0208       5.587975  177.3625       7.539804  194.3535       8.323347  -6.192551      4.122045  
1 1 1 14  3  27 o 101.7221 1.579347  103.6511       3.211349  106.0488       4.635204  101.4378       4.453322  2.256332       3.158694  
1 1 1 14  3  28 f 81.11803 1.118171  66.74880       1.753770  62.42309       2.822296  69.46977       2.238393  -4.370796      2.236342  
1 1 1 14  3  29 o 41.43545 0.6315228 17.16381       0.5231134 16.71019       0.7266248 17.65188       0.7537063 -1.135559      1.263046  
1 1 1 14  3  30 o 112.9538 1.233446  127.8522       2.786342  127.2464       3.920008  128.4708       3.961283  -0.5394516     2.466893  
1 1 1 14  3  31 o 42.34000 0.6393145 17.93781       0.5413640 17.92044       0.7634107 17.95537       0.7678167 -0.4110336E-01 1.278629  
1 1 1 14  3  32 o 73.35032 0.8675367 53.82763       1.272007  52.67126       1.764278  55.07942       1.835622  -1.637985      1.735073  
1 1 1 14  3  33 o 70.67445 0.8493622 49.95123       1.199539  48.47638       1.655119  51.58298       1.740941  -2.192909      1.698724  
1 1 1 14  3  34 o 9.342058 1.292977  0.9065374      0.2327350 0.9277872      0.3247766 0.8841069      0.3336779 0.2430429      2.585954  
1 1 1 14  3  35 o 90.44611 1.025607  81.71826       1.850380  85.74233       2.739293  78.34115       2.509452  4.072617       2.051213  
1 1 1 14  3  36 o 58.47906 0.7580012 34.24672       0.8865386 34.09396       1.253242  34.39973       1.254269  -0.2613602     1.516002  
1 1 1 14  3  37 o 95.76579 1.538222  92.14256       2.940789  95.23766       4.316815  89.46227       4.017142  2.969109       3.076444  
1 1 1 14  3  38 f 38.82909 1.120466  15.10538       0.8701333 15.10538       0.8701333 ?              ?         ?              ?         
1 1 1 14  3  39 o 49.51186 0.7068853 24.48538       0.6989471 25.89210       1.022677  23.25234       0.9574635 2.660427       1.413771  
1 1 1 14  3  40 o 9.617205 1.373012  0.9683208      0.2582911 1.220778       0.3610453 0.7036657      0.3696648 2.810202       2.746025  
1 1 1 14  3  41 o 39.58071 0.6735626 15.64912       0.5324450 16.65652       0.7774760 14.75934       0.7306824 2.392319       1.347125  
1 1 1 14  3  42 o 61.97675 0.8045058 38.29204       0.9937493 35.96669       1.338829  41.14494       1.482942  -4.160908      1.609012  
1 1 1 14  3  43 o 20.02796 0.8549365 4.025208       0.3417196 3.998213       0.4989757 4.049053       0.4689496 -0.1307602     1.709873  
1 1 1 14  3  44 o 42.06033 0.7049766 17.54593       0.5898232 15.84703       0.7868012 19.72554       0.8911899 -4.598068      1.409953  
1 1 1 14  3  45 o 26.69735 0.8391579 7.239128       0.4369395 7.585147       0.5667871 6.732265       0.6859882 1.614765       1.678316  
1 1 1 14  3  46 o 45.77145 1.006639  21.01996       0.9188570 20.53202       1.246869  21.59988       1.359321  -1.145355      2.013279  
1 1 1 14  3  47 o 44.41220 0.7322604 19.77409       0.6502575 20.27657       0.9322388 19.29795       0.9074673 1.098114       1.464521  
1 1 1 14  3  48 o 44.21126 0.7323630 19.61118       0.6475110 19.99902       0.9197568 19.23007       0.9117336 0.8683167      1.464726  
1 1 1 14  3  49 o 79.03650 0.9625095 62.77297       1.520389  64.49599       2.201218  61.20106       2.102487  2.062958       1.925019  
1 1 1 14  3  50 o 25.87510 1.082203  6.574606       0.5028944 7.152653       0.9685711 6.361261       0.5884248 1.428356       2.164407  
1 1 1 14  3  51 o 34.35802 1.356221  11.87996       0.9319410 11.87996       0.9319410 ?              ?         ?              ?         
1 1 1 14  4  0  o 111.4605 1.203197  123.2304       2.664322  115.9281       3.531443  132.8789       4.059304  -7.600899      2.406393  
1 1 1 14  4  1  o 103.3592 1.122829  106.8282       2.320733  105.6722       3.247612  108.0346       3.317531  -1.142387      2.245658  
1 1 1 14  4  2  o 261.7225 2.727221  685.3002       14.26765  698.1115       20.58930  673.4650       19.78947  4.697205       5.454443  
1 1 1 14  4  3  o 152.9992 1.618808  233.9936       4.950145  239.0145       7.160669  229.3980       6.850736  3.139954       3.237615  
1 1 1 14  4  4  o 24.27992 0.5334052 5.683362       0.2528541 4.247712       0.3271768 7.812562       0.3984430 -7.340933      1.066810  
1 1 1 14  4  5  o 226.4077 2.364922  512.3458       10.69534  527.4354       15.59924  498.9597       14.69246  6.275543       4.729844  
1 1 1 14  4  6  o 197.2077 2.066524  389.1360       8.149236  385.1339       11.39660  393.3234       11.65734  -2.072830      4.133049  
1 1 1 14  4  7  o 265.9156 2.771537  708.1860       14.73948  705.2173       20.75119  711.2088       20.93962  -1.122833      5.543074  
1 1 1 14  4  8  o 242.3453 2.529585  588.0292       12.25878  582.4850       17.15739  593.8110       17.52139  -2.329605      5.059171  
1 1 1 14  4  9  o 127.2054 1.654291  163.8552       4.049503  154.5453       6.608971  169.4515       5.124050  -5.878624      3.308583  
1 1 1 14  4  10 o 92.46992 1.460631  85.54803       2.701276  85.49894       3.825560  85.59684       3.814824  -0.5306244E-01 2.921262  
1 1 1 14  4  11 o 72.07849 1.192683  51.57790       1.710394  55.72253       2.584242  48.34705       2.281646  5.113480       2.385365  
1 1 1 14  4  12 o 99.31985 1.354036  96.23402       2.447971  92.96155       2.888197  104.5820       4.612967  -5.831360      2.708071  
1 1 1 14  4  13 o 113.1655 1.223342  128.1011       2.768609  128.9496       3.943269  127.2762       3.888122  0.7387466      2.446683  
1 1 1 14  4  14 o 198.5173 2.083937  394.4865       8.273184  391.3352       11.60530  397.7428       11.79715  -1.610199      4.167873  
1 1 1 14  4  15 f 115.4940 1.247045  133.3113       2.878164  130.3401       3.974865  136.5861       4.173041  -2.701683      2.494091  
1 1 1 14  4  16 o 22.66139 1.020864  5.086675       0.4594448 4.322348       0.6193712 6.021819       0.6850945 -3.749016      2.041728  
1 1 1 14  4  17 o 157.1184 1.663595  247.0600       5.227369  245.7364       7.348938  248.4155       7.437081  -0.8509521     3.327190  
1 1 1 14  4  18 o 56.75639 0.7212540 30.56449       0.7918417 26.12991       0.9792005 38.94413       1.346041  -11.28569      1.442508  
1 1 1 14  4  19 o 61.17902 0.7556764 37.42496       0.9244102 37.94432       1.324920  36.93231       1.290391  0.8267555      1.511353  
1 1 1 14  4  20 o 168.6470 1.783669  284.7020       6.014478  280.7430       8.385438  288.8967       8.631405  -2.410736      3.567338  
1 1 1 14  4  21 o 33.66801 0.6060241 11.33508       0.4080096 11.61937       0.5810974 11.05864       0.5730130 0.8326569      1.212048  
1 1 1 14  4  22 f 46.52077 0.6544424 21.49551       0.6065578 19.93652       0.8153536 23.42744       0.9076555 -3.750851      1.308885  
1 1 1 14  4  23 f 114.4139 1.242436  131.0172       2.842750  130.0033       3.986380  132.0663       4.055010  -0.8996506     2.484871  
1 1 1 14  4  24 o 93.10631 1.039580  86.71528       1.935240  85.23228       2.696539  88.29041       2.779010  -1.640129      2.079161  
1 1 1 14  4  25 o 44.53806 0.6390832 19.72683       0.5674644 18.37694       0.7663055 21.36586       0.8443975 -3.353981      1.278166  
1 1 1 14  4  26 o 69.49992 0.8240699 48.33252       1.145442  48.15120       1.615067  48.51603       1.624776  -0.2622070     1.648140  
1 1 1 14  4  27 o 50.21836 0.6809418 25.04915       0.6809397 23.35244       0.9124005 27.18238       1.023060  -3.810501      1.361884  
1 1 1 14  4  28 o 52.79495 0.9573372 27.89638       1.010379  27.64298       1.404857  28.16790       1.454205  -0.4950562     1.914674  
1 1 1 14  4  29 o 110.7322 1.708067  122.1426       3.758426  115.3004       4.987951  131.1301       5.716701  -7.089775      3.416133  
1 1 1 14  4  30 o 49.13488 0.7263888 23.91284       0.7031516 25.55069       1.108400  22.80978       0.9096186 2.781815       1.452778  
1 1 1 14  4  31 o 37.77779 0.6270190 14.24377       0.4731054 13.56570       0.6489157 15.01315       0.6912314 -1.914299      1.254038  
1 1 1 14  4  32 o 38.88291 0.6324770 15.12967       0.4918270 15.22237       0.6935580 15.03591       0.6975561 0.2399139      1.264954  
1 1 1 14  4  33 f 42.51712 0.6520697 18.04358       0.5537089 19.07420       0.8092064 17.13615       0.7592992 2.276878       1.304139  
1 1 1 14  4  34 o 74.69910 0.8816327 55.76844       1.315141  53.84970       1.800593  57.96254       1.925460  -2.745071      1.763265  
1 1 1 14  4  35 o 62.76795 0.9834737 39.24019       1.145568  40.14679       2.056746  38.83244       1.379330  0.9931755      1.966947  
1 1 1 14  4  36 f 48.36647 1.009509  23.19633       0.9694355 25.56903       1.484095  21.43042       1.280339  4.259842       2.019018  
1 1 1 14  4  37 o 26.93561 0.6761516 7.266468       0.3638519 7.299076       0.5035310 7.230838       0.5263563 0.1282558      1.352303  
1 1 1 14  4  38 o 26.66153 0.6722940 7.090882       0.3577739 6.560061       0.4896140 7.699066       0.5240799 -2.133547      1.344588  
1 1 1 14  4  39 f 16.27286 0.8684634 2.644135       0.2814318 2.318436       0.3859965 3.013771       0.4112082 -2.133898      1.736927  
1 1 1 14  4  40 o 41.84425 0.6763831 17.52758       0.5658692 16.98342       0.7892663 18.10315       0.8117260 -1.336002      1.352766  
1 1 1 14  4  41 o 31.09088 0.6705108 9.567250       0.4141863 8.271455       0.5542566 11.20598       0.6232991 -4.712971      1.341022  
1 1 1 14  4  42 o 33.59329 0.6771193 11.30476       0.4548866 11.41458       0.6489797 11.19869       0.6377802 0.3202324      1.354239  
1 1 1 14  4  43 o 39.74232 1.023094  15.88819       0.8101857 14.20787       1.138005  17.61521       1.153708  -4.284332      2.046188  
1 1 1 14  4  44 o 40.58591 0.6982247 16.51079       0.5667312 16.43144       0.7966295 16.59210       0.8064181 -0.1967392     1.396449  
1 1 1 14  4  45 o 27.86906 0.7277847 7.782897       0.4053682 8.204525       0.5803431 7.381194       0.5664632 1.475355       1.455569  
1 1 1 14  4  46 o 14.75629 1.070383  2.177731       0.3148391 1.959789       0.4279184 2.434942       0.4648733 -1.602460      2.140767  
1 1 1 14  4  47 o 20.15794 1.194013  4.081136       0.4703129 4.025551       0.6020754 4.168149       0.7532962 -0.3174324     2.388026  
1 1 1 14  4  48 o 46.54899 0.7480922 21.71735       0.6960056 20.96431       0.9635607 22.53891       1.006440  -1.684193      1.496184  
1 1 1 14  4  49 o 16.16073 1.661501  2.777942       0.4766238 2.480954       0.8421868 2.917883       0.5781118 -1.683246      3.323002  
1 1 1 14  4  50 o 39.32556 0.8004838 15.63382       0.6241432 16.43861       0.8430614 14.65776       0.9284469 2.281399       1.600968  
1 1 1 14  4  51 o 32.73922 1.620335  0.000000       0.000000  ?              ?         10.81739       1.060970  ?              ?         
1 1 1 14  5  0  f 257.4006 2.683187  663.2267       13.81271  660.6997       19.44938  665.7982       19.61998  -0.9880066     5.366374  
1 1 1 14  5  1  o 233.1563 2.434660  543.8939       11.34933  536.4181       15.80785  551.8466       16.30442  -3.302170      4.869320  
1 1 1 14  5  2  o 64.14174 0.7554384 41.11519       0.9686240 40.23027       1.344322  42.07065       1.396872  -1.434402      1.510877  
1 1 1 14  5  3  o 176.4651 1.855418  310.6863       6.532410  323.7738       9.649307  299.6135       8.875565  6.837234       3.710836  
1 1 1 14  5  4  o 170.6786 1.796562  291.3550       6.130568  295.8625       8.810240  287.1236       8.536120  2.557007       3.593125  
1 1 1 14  5  5  o 115.5149 1.242789  132.5287       2.854651  125.2323       3.799840  141.9819       4.325154  -7.245644      2.485579  
1 1 1 14  5  6  o 81.73598 1.129357  67.40370       1.755294  64.93125       2.959237  68.74580       2.180255  -2.339684      2.258714  
1 1 1 14  5  7  f 250.3483 3.703768  627.0051       18.50369  651.8211       27.27296  605.8391       25.18761  9.124039       7.407536  
1 1 1 14  5  8  o 35.30822 0.8544855 12.46627       0.6032957 12.34609       0.8436037 12.59208       0.8631086 -0.3482056     1.708971  
1 1 1 14  5  9  f 269.1665 3.457858  721.2143       17.33991  712.2098       20.93839  740.8697       30.93528  -5.051880      6.915716  
1 1 1 14  5  10 o 72.70238 0.8371722 52.83432       1.216747  51.90931       1.690586  53.82841       1.752566  -1.319435      1.674344  
1 1 1 14  5  11 o 77.18149 0.8822107 59.54009       1.361179  60.85625       1.961626  58.31784       1.890348  1.643944       1.764421  
1 1 1 14  5  12 o 212.6661 2.226386  451.8933       9.453104  467.6779       13.86587  438.1858       12.92145  6.915909       4.452771  
1 1 1 14  5  13 o 159.6160 1.686811  254.9561       5.384815  254.5735       7.601502  255.3416       7.629130  -0.2401886     3.373622  
1 1 1 14  5  14 o 141.5269 1.506214  199.1441       4.240771  188.8482       5.658776  212.3346       6.405023  -8.286972      3.012428  
1 1 1 14  5  15 o 92.23785 1.024434  85.10138       1.889796  85.44463       2.682638  84.76322       2.662625  0.3691635      2.048868  
1 1 1 14  5  16 o 129.8098 1.389977  167.6637       3.592025  159.4340       4.810811  178.0321       5.399840  -7.154816      2.779954  
1 1 1 14  5  17 f 112.5607 1.738573  126.5331       3.906807  122.3118       5.335141  131.4139       5.736819  -4.035271      3.477147  
1 1 1 14  5  18 o 76.70688 0.8899235 58.46747       1.358931  55.05658       1.818451  62.78156       2.045088  -5.032913      1.779847  
1 1 1 14  5  19 o 21.38028 0.6474502 4.582724       0.2761717 4.880930       0.3869243 4.273022       0.3943119 1.421724       1.294900  
1 1 1 14  5  20 o 49.20100 0.6704618 24.06085       0.6574444 26.07003       0.9810761 22.42315       0.8857481 3.705093       1.340924  
1 1 1 14  5  21 o 119.4583 1.290999  142.0224       3.070560  150.9090       4.612763  134.9514       4.114654  6.668083       2.581998  
1 1 1 14  5  22 o 19.19001 0.6922428 3.712720       0.2627865 4.324598       0.3706014 3.093961       0.3726798 3.206482       1.384486  
1 1 1 14  5  23 o 124.9640 1.346559  156.0334       3.359885  151.2159       4.595953  161.5637       4.924202  -4.129982      2.693118  
1 1 1 14  5  24 o 68.77640 0.8193473 47.25951       1.125905  45.91241       1.550627  48.76169       1.637457  -2.069481      1.638695  
1 1 1 14  5  25 f 31.57242 0.5935400 9.906535       0.3735135 8.947159       0.5064196 11.05101       0.5531203 -3.330906      1.187080  
1 1 1 14  5  26 o 48.89908 0.6658357 23.73620       0.6482700 22.00908       0.8681086 25.91352       0.9747072 -3.989925      1.331671  
1 1 1 14  5  27 o 67.23708 0.8107666 45.22789       1.090077  44.51082       1.524064  45.97895       1.559757  -1.090599      1.621533  
1 1 1 14  5  28 f 88.15025 0.9957198 77.57921       1.751661  74.60329       2.384234  81.06933       2.582016  -3.658775      1.991440  
1 1 1 14  5  29 o 52.05133 0.7530504 27.11598       0.7751362 27.12582       1.022563  27.10268       1.188464  0.2820587E-01  1.506101  
1 1 1 14  5  30 f 13.14947 1.300488  1.957867       0.2958614 2.788583       0.4009064 0.9643725      0.4384293 7.081257       2.600976  
1 1 1 14  5  31 f 47.61839 0.9141492 22.65298       0.8695939 24.07685       1.263908  21.37311       1.198296  2.835640       1.828298  
1 1 1 14  5  32 o 41.73206 0.6435726 17.42505       0.5370919 17.65921       0.7666216 17.19932       0.7526951 0.5504417      1.287145  
1 1 1 14  5  33 o 67.72208 0.8936713 46.09635       1.205948  42.22227       1.724417  49.80471       1.687131  -5.600540      1.787343  
1 1 1 14  5  34 o 57.49115 1.082827  32.97462       1.239994  34.83578       1.856588  31.47584       1.666074  2.906693       2.165654  
1 1 1 14  5  35 o 70.84633 1.061263  48.83405       1.367258  46.87191       1.610082  53.90757       2.589039  -4.879166      2.122526  
1 1 1 14  5  36 o 24.09099 0.6846523 5.804914       0.3295239 5.687919       0.4538151 5.935396       0.4792597 -0.5119934     1.369305  
1 1 1 14  5  37 o 36.32011 0.6570224 13.08602       0.4748641 14.99956       0.7091975 11.53089       0.6393407 4.770355       1.314045  
1 1 1 14  5  38 o 56.58287 0.7532746 32.07088       0.8524159 32.34823       1.211969  31.79937       1.199130  0.4839287      1.506549  
1 1 1 14  5  39 o 36.11053 0.6593099 13.04032       0.4757845 12.58223       0.6571390 13.54504       0.6897681 -1.330524      1.318620  
1 1 1 14  5  40 o 56.72430 0.7558557 32.24264       0.8574329 32.04487       1.203261  32.44666       1.222145  -0.3522720     1.511711  
1 1 1 14  5  41 o 31.18787 0.6779763 9.688734       0.4211861 11.00458       0.6199074 8.560451       0.5740287 3.914116       1.355953  
1 1 1 14  5  42 o 15.04115 0.9676158 2.273124       0.2907987 2.332690       0.4059891 2.210366       0.4167239 0.4081507      1.935232  
1 1 1 14  5  43 o 52.78638 0.7452086 27.93341       0.7866669 27.91614       1.105000  27.95115       1.120185  -0.3136826E-01 1.490417  
1 1 1 14  5  44 f 36.00220 0.6939018 12.95667       0.4988491 12.36433       0.6824031 13.63650       0.7310665 -1.760857      1.387804  
1 1 1 14  5  45 o 22.27852 0.8102143 4.969355       0.3606266 4.707283       0.4973289 5.259954       0.5236982 -1.236551      1.620429  
1 1 1 14  5  46 o 32.79261 0.7128111 10.76417       0.4670387 10.33792       0.6433622 11.23904       0.6790683 -1.368984      1.425622  
1 1 1 14  5  47 o 25.92797 0.7741278 6.746243       0.4010635 7.135935       0.5713009 6.367569       0.5631655 1.480423       1.548256  
1 1 1 14  5  48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  5  49 f 18.60034 1.026263  3.499512       0.3792164 3.958013       0.5358344 3.039438       0.5367527 2.469460       2.052526  
1 1 1 14  5  50 o 7.336076 1.744806  0.5080162      0.3107486 0.6754741      0.4266939 0.3188939      0.4534559 1.513673       3.489612  
1 1 1 14  5  51 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  6  0  o 119.2588 1.550239  144.2734       3.578644  133.9282       5.730955  150.8855       4.581708  -7.119316      3.100477  
1 1 1 14  6  1  o 101.2111 1.102907  102.4457       2.232301  101.6820       3.130450  103.2359       3.184136  -0.7672729     2.205813  
1 1 1 14  6  2  f 117.0589 1.371266  136.2258       3.148782  141.3212       5.005428  132.8888       4.050684  3.593781       2.742532  
1 1 1 14  6  3  o 181.7959 2.363771  326.2246       7.929568  342.7397       14.47686  319.1461       9.477783  6.413605       4.727541  
1 1 1 14  6  4  o 115.1284 1.769796  131.3633       4.044117  123.0496       5.338110  142.5629       6.195728  -8.464088      3.539593  
1 1 1 14  6  5  o 204.2944 3.035455  418.0212       12.39890  423.8107       17.79406  412.5573       17.28635  2.742813       6.070910  
1 1 1 14  6  6  o 277.5246 3.526392  778.1783       18.70538  792.8119       23.36863  752.0817       31.20674  7.551605       7.052783  
1 1 1 14  6  7  o 60.32669 0.7310475 36.37399       0.8816872 37.22352       1.268853  35.58083       1.226037  1.361240       1.462095  
1 1 1 14  6  8  o 213.3895 2.233762  455.3942       9.524765  445.4142       13.14325  466.4323       13.82251  -4.912704      4.467524  
1 1 1 14  6  9  o 196.0150 2.055365  384.1076       8.049323  394.3823       11.70638  374.8932       11.08588  4.961380       4.110730  
1 1 1 14  6  10 o 197.7870 2.074404  391.5489       8.205321  389.2108       11.52947  393.9485       11.68015  -1.195190      4.148809  
1 1 1 14  6  11 o 133.3071 1.423050  176.8410       3.777234  187.5282       5.671190  168.3202       5.063881  7.197037       2.846099  
1 1 1 14  6  12 o 225.3641 2.357049  508.6046       10.62388  508.9127       15.03338  508.2972       15.01549  0.1362000      4.714098  
1 1 1 14  6  13 o 93.93977 1.038834  87.89738       1.945491  92.77647       2.894994  83.87936       2.627147  4.732948       2.077667  
1 1 1 14  6  14 o 196.8671 2.066835  387.7603       8.132961  395.4080       11.74730  380.7202       11.27097  3.720673       4.133670  
1 1 1 14  6  15 o 228.0391 2.386846  520.3690       10.87648  508.7908       15.01249  533.1606       15.77949  -5.324005      4.773691  
1 1 1 14  6  16 o 171.2807 1.806754  293.1887       6.180636  302.4250       9.030481  285.0495       8.477207  5.061081       3.613507  
1 1 1 14  6  17 o 184.1967 1.938510  339.5354       7.138131  334.0908       9.918401  345.3854       10.28105  -3.057541      3.877020  
1 1 1 14  6  18 o 129.3129 1.974696  167.4199       5.105995  169.5595       7.312085  165.3837       7.133174  1.609879       3.949392  
1 1 1 14  6  19 o 58.15058 0.7272983 33.78182       0.8451241 32.89249       1.166087  34.76581       1.226578  -1.610069      1.454597  
1 1 1 14  6  20 o 213.2028 2.236819  454.8710       9.524612  469.0185       13.91652  442.4045       13.06358  6.210022       4.473638  
1 1 1 14  6  21 o 160.0381 1.696126  256.4665       5.427946  259.2632       7.764009  253.7927       7.591449  1.703522       3.392253  
1 1 1 14  6  22 f 41.97009 0.6285979 17.60799       0.5274687 18.21013       0.7564535 17.03816       0.7358786 1.395912       1.257196  
1 1 1 14  6  23 o 78.64419 0.9086059 61.88374       1.429084  62.07150       2.030568  61.69948       2.011626  0.2360840      1.817212  
1 1 1 14  6  24 o 101.2375 1.118037  102.1850       2.256653  97.69827       3.049248  107.6182       3.355460  -4.889137      2.236075  
1 1 1 14  6  25 o 107.4601 1.176829  115.6233       2.529174  116.1757       3.592864  115.0806       3.560933  0.5082626      2.353657  
1 1 1 14  6  26 o 75.03201 0.8778384 56.15781       1.314360  59.01668       1.939604  53.73031       1.787295  3.517899       1.755677  
1 1 1 14  6  27 o 80.38384 0.9245978 64.32084       1.480332  68.55292       2.218910  60.92644       1.987211  4.734497       1.849196  
1 1 1 14  6  28 o 77.06646 0.8945048 59.42415       1.378175  60.46637       1.983129  58.45065       1.916638  1.305038       1.789010  
1 1 1 14  6  29 o 82.16209 0.9421231 66.90209       1.536589  62.29958       2.028518  73.09844       2.353691  -6.556328      1.884246  
1 1 1 14  6  30 o 50.00371 0.6859948 24.99413       0.6855880 25.76399       0.9920027 24.29019       0.9485893 1.472076       1.371990  
1 1 1 14  6  31 o 35.18081 0.7480750 12.38103       0.5261491 12.63414       0.7571939 12.14473       0.7316382 0.6944504      1.496150  
1 1 1 14  6  32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  6  33 o 58.70527 1.274564  35.17294       1.429356  36.75227       1.797926  32.46027       2.356316  3.704529       2.549128  
1 1 1 14  6  34 o 27.76310 0.6530514 7.693819       0.3620352 7.342003       0.4951709 8.097870       0.5306597 -1.359434      1.306103  
1 1 1 14  6  35 o 29.41566 0.6449164 8.661648       0.3794108 8.656088       0.5356182 8.667247       0.5375226 -0.1886177E-01 1.289833  
1 1 1 14  6  36 o 11.02542 1.133671  1.223220       0.2481628 1.248713       0.3334822 1.191584       0.3714981 0.2633467      2.267343  
1 1 1 14  6  37 o 23.42398 0.7085493 5.513763       0.3298705 6.256127       0.4683863 4.783193       0.4646508 3.143797       1.417099  
1 1 1 14  6  38 o 15.96856 0.8778328 2.527007       0.2779287 2.106430       0.3733690 3.049644       0.4162134 -2.949047      1.755666  
1 1 1 14  6  39 o 47.06541 0.6955117 22.18168       0.6545413 21.83330       0.9137933 22.54877       0.9380035 -0.7579765     1.391023  
1 1 1 14  6  40 o 9.641062 1.390902  0.9698987      0.2587275 0.9672486      0.3564873 0.9728484      0.3760911 -0.1122189E-01 2.781803  
1 1 1 14  6  41 o 14.31070 0.9777012 2.041434       0.2756986 1.594503       0.3736873 2.575298       0.4084166 -3.422042      1.955402  
1 1 1 14  6  42 o 47.63282 0.7126924 22.73011       0.6788483 23.16432       0.9700949 22.31346       0.9502846 0.8910675      1.425385  
1 1 1 14  6  43 o 23.81866 0.7447898 5.685588       0.3544872 5.630316       0.4901111 5.746222       0.5133362 -0.2404270     1.489580  
1 1 1 14  6  44 o 21.11715 1.063704  4.484701       0.4365107 4.485387       0.5553305 4.483593       0.7061241 0.3231621E-01  2.127409  
1 1 1 14  6  45 o 30.19196 0.7183878 9.138511       0.4333480 9.110859       0.5990362 9.168868       0.6276585 -0.9231186E-01 1.436776  
1 1 1 14  6  46 o 28.63512 0.8478293 8.125546       0.4717177 8.676410       0.7749342 7.801275       0.5945631 1.497755       1.695659  
1 1 1 14  6  47 f 24.90805 1.279210  6.200180       0.6232565 6.581272       1.003539  5.960891       0.7952092 1.187119       2.558420  
1 1 1 14  6  48 o 17.22574 0.9911941 2.981939       0.3404704 2.940446       0.4625720 3.030991       0.5029545 -0.2539501     1.982388  
1 1 1 14  6  49 f 33.61153 0.9462445 11.33810       0.6231152 11.22788       0.8023933 11.50556       0.9890248 -0.3707504     1.892489  
1 1 1 14  6  50 o 13.89211 1.317288  1.935111       0.3622146 2.367067       0.5386178 1.578479       0.4894084 2.822480       2.634576  
1 1 1 14  7  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  7  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  7  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  7  3  o 97.05962 2.162237  0.000000       0.000000  ?              ?         94.25139       4.197319  ?              ?         
1 1 1 14  7  4  o 34.06802 0.8695863 11.60619       0.5924494 11.43934       0.8313709 11.77834       0.8444831 -0.4974518     1.739173  
1 1 1 14  7  5  o 80.07014 1.302735  64.04587       2.083898  62.31170       2.866888  65.98860       3.034393  -2.294304      2.605470  
1 1 1 14  7  6  o 147.7463 2.226784  218.4807       6.578605  221.1181       9.420040  215.9698       9.191283  1.738144       4.453569  
1 1 1 14  7  7  o 70.30219 0.8125934 49.36600       1.141512  47.96879       1.574137  50.91568       1.657794  -2.095337      1.625187  
1 1 1 14  7  8  o 42.67296 0.5879723 18.11598       0.5003962 16.93543       0.6774669 19.53330       0.7423033 -3.043640      1.175945  
1 1 1 14  7  9  f 101.8006 1.110800  103.5402       2.259410  101.0430       3.114002  106.3162       3.283289  -2.588455      2.221600  
1 1 1 14  7  10 o 174.7176 1.840260  304.7907       6.417717  316.4526       9.439581  294.7671       8.751475  6.195007       3.680521  
1 1 1 14  7  11 o 194.5424 2.041764  378.8616       7.944063  377.7334       11.19673  380.0052       11.27285  -0.5825043     4.083527  
1 1 1 14  7  12 o 181.7466 1.912563  329.1542       6.925649  346.9514       10.34812  314.7150       9.320915  8.850204       3.825126  
1 1 1 14  7  13 o 164.6573 1.740236  271.2988       5.729944  274.0309       8.191069  268.6806       8.018418  1.621719       3.480472  
1 1 1 14  7  14 o 146.5131 1.557042  213.7684       4.544097  226.0026       6.803063  203.9130       6.105956  7.527023       3.114083  
1 1 1 14  7  15 o 169.1686 1.785913  286.3911       6.041069  283.1089       8.437623  289.8432       8.653175  -1.986145      3.571826  
1 1 1 14  7  16 o 107.4110 1.170312  115.3346       2.512535  113.0314       3.480390  117.8413       3.630909  -2.236969      2.340625  
1 1 1 14  7  17 f 22.31190 0.6300420 4.711706       0.2717142 3.366700       0.3450963 6.905555       0.4407392 -7.929647      1.260084  
1 1 1 14  7  18 o 60.88875 0.7495003 37.06241       0.9123421 36.40141       1.268253  37.77133       1.313425  -1.124435      1.499001  
1 1 1 14  7  19 o 86.72839 1.403803  75.09292       2.430475  78.34039       3.571693  72.29232       3.316858  3.481003       2.807607  
1 1 1 14  7  20 o 220.7949 2.315448  488.8431       10.22478  489.0818       14.46661  488.6048       14.45345  0.1074829      4.630897  
1 1 1 14  7  21 o 62.01991 0.7620173 38.45427       0.9447686 37.73014       1.312170  39.23375       1.361399  -1.211384      1.524035  
1 1 1 14  7  22 o 55.42635 0.7093790 30.59344       0.7841697 28.96127       1.061556  32.55379       1.163393  -3.239079      1.418758  
1 1 1 14  7  23 f 112.0705 1.220510  125.5846       2.732872  129.1594       3.974452  122.3786       3.763870  3.018066       2.441019  
1 1 1 14  7  24 o 62.08789 0.7664458 38.11400       0.9445361 42.25709       1.448739  35.05089       1.245689  5.798191       1.532892  
1 1 1 14  7  25 o 57.90562 0.7351655 33.54351       0.8513434 34.03482       1.212160  33.06524       1.195967  0.8367996      1.470331  
1 1 1 14  7  26 f 96.57283 1.075120  92.76122       2.065852  99.35146       3.118479  87.60735       2.757773  6.064705       2.150239  
1 1 1 14  7  27 o 98.92781 1.098452  97.97477       2.172642  99.61689       3.121176  96.43109       3.026184  1.605461       2.196904  
1 1 1 14  7  28 f 119.0745 1.293137  141.9873       3.077401  145.1832       4.454043  139.0681       4.256854  2.555557       2.586273  
1 1 1 14  7  29 o 64.49161 0.7915918 41.62608       1.020963  41.21737       1.434658  42.04544       1.453242  -0.6412201     1.583184  
1 1 1 14  7  30 f 85.65710 1.406068  73.52610       2.407441  71.46846       3.336913  75.75969       3.476655  -2.494019      2.812136  
1 1 1 14  7  31 o 154.6144 2.154682  238.9158       6.443322  233.0104       8.090825  249.1548       10.65356  -4.879395      4.309365  
1 1 1 14  7  32 o 71.41935 0.8542231 51.03614       1.219410  52.31756       1.762539  49.85966       1.688835  1.716324       1.708446  
1 1 1 14  7  33 f 30.94867 0.7611808 9.917911       0.4529295 11.15085       0.5898033 8.145731       0.7071170 4.861380       1.522362  
1 1 1 14  7  34 o 39.70635 0.8633968 15.80966       0.6849459 16.36394       0.9593544 15.23334       0.9782411 1.425053       1.726794  
1 1 1 14  7  35 f 27.03944 0.7420817 7.119184       0.3920748 8.256886       0.6421600 6.443008       0.4950608 3.344086       1.484163  
1 1 1 14  7  36 o 64.47263 0.8073494 41.63591       1.040871  42.22704       1.488459  41.07018       1.456102  0.8944626      1.614699  
1 1 1 14  7  37 o 32.17283 0.6472844 10.34764       0.4157616 11.25391       0.6001193 9.511179       0.5765408 2.706739       1.294569  
1 1 1 14  7  38 o 56.20228 0.7502366 31.62144       0.8428895 30.85440       1.169886  32.44943       1.215472  -1.414932      1.500473  
1 1 1 14  7  39 o 67.15620 0.8326169 45.19908       1.118074  44.46574       1.561748  45.97012       1.601387  -1.115761      1.665234  
1 1 1 14  7  40 o 45.72372 0.6919826 20.92673       0.6324500 20.40994       0.8767472 21.48741       0.9132050 -1.174801      1.383965  
1 1 1 14  7  41 o 18.13173 0.8388430 3.276407       0.3031477 3.048194       0.4086029 3.555823       0.4521244 -1.394522      1.677686  
1 1 1 14  7  42 o 14.39233 0.9989656 2.044290       0.2846433 1.700701       0.3773187 2.498068       0.4336213 -2.761538      1.997931  
1 1 1 14  7  43 o 11.85950 1.178914  1.418418       0.2783183 1.442115       0.3776504 1.390246       0.4117611 0.2256432      2.357828  
1 1 1 14  7  44 o 47.46473 0.7290251 22.46959       0.6900836 21.00374       0.9339999 24.23176       1.024057  -3.388836      1.458050  
1 1 1 14  7  45 o 35.99387 0.9648653 13.20061       0.6321141 12.57907       1.152866  13.46779       0.7558615 -1.304977      1.929731  
1 1 1 14  7  46 o 33.18942 0.9105392 10.94710       0.5565106 10.76396       0.6649907 11.37515       1.016640  -0.8575783     1.821078  
1 1 1 14  7  47 o 34.59742 0.7262058 11.98068       0.5018371 11.43919       0.6885644 12.59417       0.7329203 -1.661968      1.452412  
1 1 1 14  7  48 o 23.89597 0.8113908 5.732471       0.3875540 5.682733       0.5379716 5.786134       0.5587891 -0.2125225     1.622782  
1 1 1 14  7  49 o 17.25550 0.9993361 2.987798       0.3439675 2.858644       0.4663324 3.141911       0.5094030 -0.8100204     1.998672  
1 1 1 14  7  50 o 31.70281 0.9641458 10.15515       0.5983361 10.31603       0.7742648 9.916648       0.9427451 0.6694374      1.928292  
1 1 1 14  8  0  o 174.4605 2.609864  303.9520       9.084686  293.3627       12.34898  316.4431       13.41214  -6.594482      5.219727  
1 1 1 14  8  1  o 96.44902 1.518625  93.05762       2.929110  93.92590       4.178066  92.21838       4.107607  0.8843842      3.037250  
1 1 1 14  8  2  o 56.78342 1.456600  32.25117       1.654214  32.25117       1.654214  ?              ?         ?              ?         
1 1 1 14  8  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  8  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  8  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  8  6  o 34.79254 1.270350  0.000000       0.000000  ?              ?         12.10736       0.8839737 ?              ?         
1 1 1 14  8  7  o 24.50055 0.9389177 5.962577       0.4583713 5.347755       0.6210697 6.698110       0.6793080 -2.755331      1.877835  
1 1 1 14  8  8  f 151.6174 2.285466  230.1004       6.928752  227.5147       9.676305  232.8213       9.925934  -1.745255      4.570932  
1 1 1 14  8  9  o 99.86647 1.094738  99.68132       2.185214  97.56186       3.026923  101.9882       3.157960  -2.214897      2.189476  
1 1 1 14  8  10 o 166.8238 1.761494  278.4470       5.875769  275.2384       8.202901  281.8280       8.420557  -1.971558      3.522988  
1 1 1 14  8  11 o 288.5977 3.009612  834.1753       17.35856  852.6949       25.13217  817.2808       24.00408  6.103638       6.019224  
1 1 1 14  8  12 o 313.3776 3.266542  984.9467       20.47216  979.1465       28.77585  990.8911       29.13143  -1.862274      6.533085  
1 1 1 14  8  13 o 134.8895 1.441140  182.0014       3.886781  184.5870       5.577433  179.5602       5.419447  1.860870       2.882280  
1 1 1 14  8  14 o 401.1914 4.182665  1618.013       33.55442  1600.170       46.90033  1636.723       48.02594  -4.503235      8.365331  
1 1 1 14  8  15 o 74.94653 0.8704360 56.06761       1.302789  54.16177       1.784370  58.24333       1.906533  -2.721725      1.740872  
1 1 1 14  8  16 o 151.3977 1.607964  228.7690       4.857094  220.5078       6.599950  238.5293       7.173815  -5.939758      3.215927  
1 1 1 14  8  17 o 198.8022 2.088690  395.6406       8.299256  388.0427       11.49025  403.9279       12.00020  -3.979446      4.177381  
1 1 1 14  8  18 o 108.7909 1.188142  117.5895       2.570345  111.0878       3.421790  126.0087       3.893817  -6.848579      2.376283  
1 1 1 14  8  19 o 174.2628 1.840212  304.1891       6.413607  304.3628       9.074197  304.0159       9.066229  0.9925842E-01  3.680423  
1 1 1 14  8  20 o 102.2646 1.463436  105.1230       2.945995  107.1302       3.860253  102.3236       4.558893  2.371422       2.926873  
1 1 1 14  8  21 o 38.37259 0.6106341 14.72440       0.4684979 15.23052       0.6679386 14.23427       0.6573018 1.297985       1.221268  
1 1 1 14  8  22 o 92.09248 1.029408  84.85912       1.895674  83.90772       2.650763  85.85503       2.712065  -1.055565      2.058816  
1 1 1 14  8  23 o 85.93018 0.9731650 73.80024       1.670808  76.08495       2.429790  71.75094       2.301208  2.517883       1.946330  
1 1 1 14  8  24 o 53.49005 0.7022080 28.57195       0.7503893 29.75120       1.093195  27.52127       1.031879  2.082973       1.404416  
1 1 1 14  8  25 o 80.31338 0.9223213 64.17198       1.474944  60.66545       1.976448  68.57915       2.215780  -4.918335      1.844643  
1 1 1 14  8  26 o 120.1762 1.304059  144.7287       3.134300  145.1443       4.445632  144.3179       4.419623  0.3423538      2.608119  
1 1 1 14  8  27 o 94.11947 1.054363  88.00098       1.972534  82.67974       2.620094  94.96275       2.996888  -6.506683      2.108726  
1 1 1 14  8  28 o 12.10113 1.884490  1.529633       0.4439807 1.485516       0.6242466 1.574794       0.6315846 -0.3586950     3.768980  
1 1 1 14  8  29 o 94.88058 1.379562  90.54530       2.574282  91.75567       3.361072  88.82770       4.003882  1.590828       2.759124  
1 1 1 14  8  30 o 49.14996 0.6836874 24.17263       0.6719674 23.99492       0.9409994 24.35755       0.9598930 -0.3681450     1.367375  
1 1 1 14  8  31 o 79.32329 0.9226068 63.02535       1.463683  62.94955       2.068693  63.10135       2.071231  -0.9552765E-01 1.845214  
1 1 1 14  8  32 o 74.68967 0.8836058 55.57160       1.315053  52.56375       1.769609  59.28138       1.965275  -4.484879      1.767212  
1 1 1 14  8  33 o 55.46773 0.9909979 30.78697       1.097639  30.03173       1.503500  31.64887       1.606174  -1.449604      1.981996  
1 1 1 14  8  34 o 42.13016 0.6572947 17.57024       0.5504245 16.00560       0.7306577 19.62327       0.8369622 -4.287365      1.314589  
1 1 1 14  8  35 o 55.80162 0.9502892 31.12606       1.045902  30.68145       1.365466  31.75723       1.626902  -0.9394035     1.900578  
1 1 1 14  8  36 o 45.12152 0.8967513 20.32119       0.8075147 22.05675       1.186549  18.82385       1.102116  3.574455       1.793503  
1 1 1 14  8  37 o 30.36115 0.6582304 9.194972       0.3988994 8.626854       0.5440694 9.855348       0.5865844 -2.019941      1.316461  
1 1 1 14  8  38 o 22.46006 0.7316343 5.085732       0.3251337 5.969019       0.4614514 4.214913       0.4581829 3.904654       1.463269  
1 1 1 14  8  39 o 87.62656 1.010471  77.07046       1.770696  76.29901       2.482260  77.86973       2.526613  -0.8902283     2.020943  
1 1 1 14  8  40 o 39.19128 0.6770153 15.36824       0.5301854 14.95844       0.7312217 15.82248       0.7698602 -1.098671      1.354031  
1 1 1 14  8  41 f 28.61792 0.7075423 8.235622       0.4032708 9.022108       0.5669211 7.430039       0.5737626 2.782301       1.415085  
1 1 1 14  8  42 o 41.74720 0.6878707 17.46116       0.5742494 17.80561       0.8203438 17.13020       0.8041217 0.8071098      1.375741  
1 1 1 14  8  43 o 29.00752 0.7104272 8.299224       0.4088025 7.272227       0.5394096 9.685102       0.6266084 -4.148134      1.420854  
1 1 1 14  8  44 o 31.29136 1.150748  9.944321       0.7123501 9.132629       1.061651  10.60902       0.9607236 -2.379837      2.301497  
1 1 1 14  8  45 o 54.77324 0.7764170 30.08774       0.8502875 29.54223       1.185044  30.66660       1.220726  -1.020924      1.552834  
1 1 1 14  8  46 o 17.66739 0.9406593 3.096381       0.3290284 2.544094       0.4404902 3.793466       0.4948769 -3.525089      1.881319  
1 1 1 14  8  47 o 43.80944 0.7270169 19.25660       0.6369590 19.19065       0.9053038 19.32125       0.8963550 -0.1504974     1.454034  
1 1 1 14  8  48 o 7.161117 1.621041  0.4539500      0.2969358 0.8327768      0.4072384 0.2391876E-01  0.4338887 3.440085       3.242082  
1 1 1 14  8  49 o 28.60661 0.7595690 8.225743       0.4340240 8.447322       0.6041598 7.989430       0.6239225 0.8040771      1.519138  
1 1 1 14  8  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  9  0  o 137.9170 2.095612  189.4319       5.757430  200.8832       8.618079  180.2014       7.737401  7.482986       4.191225  
1 1 1 14  9  1  o 176.6812 2.641852  312.6594       9.335308  312.7519       13.20022  312.5669       13.20402  0.5244446E-01  5.283703  
1 1 1 14  9  2  o 279.8808 4.138669  786.0977       23.16003  776.1168       32.29447  796.6666       33.23213  -3.640259      8.277338  
1 1 1 14  9  3  f 256.8289 3.801883  661.0070       19.51063  677.6344       28.33023  646.0060       26.90898  6.115128       7.603765  
1 1 1 14  9  4  o 351.8680 5.199530  1245.353       36.58810  1236.570       51.35948  1254.403       52.13604  -2.502655      10.39906  
1 1 1 14  9  5  o 247.5806 5.188519  614.8074       25.69153  614.8074       25.69153  ?              ?         ?              ?         
1 1 1 14  9  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  9  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  9  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  9  9  o 124.8965 2.713408  0.000000       0.000000  ?              ?         156.1414       6.777905  ?              ?         
1 1 1 14  9  10 o 276.8784 2.893755  768.3372       16.02380  764.9151       22.54782  771.8289       22.77604  -1.242126      5.787510  
1 1 1 14  9  11 o 108.1513 1.177222  116.6940       2.540930  121.7107       3.743844  112.4097       3.459778  4.296570       2.354444  
1 1 1 14  9  12 f 69.75598 0.8158937 48.65095       1.137917  47.99154       1.585807  49.35086       1.633782  -0.9739227     1.631787  
1 1 1 14  9  13 o 203.7106 2.138005  415.5558       8.710185  418.0531       12.39797  413.1219       12.23968  1.206528       4.276011  
1 1 1 14  9  14 o 220.8418 2.313473  488.4451       10.21557  482.4489       14.25378  494.7777       14.64830  -2.780411      4.626946  
1 1 1 14  9  15 o 265.1854 2.770921  705.1100       14.69375  698.0229       20.55829  712.5113       21.00924  -2.715240      5.541842  
1 1 1 14  9  16 f 202.1561 2.124305  408.9912       8.580618  399.5389       11.82932  419.4872       12.46530  -4.913635      4.248610  
1 1 1 14  9  17 o 70.02504 0.8305203 48.90296       1.160787  46.84842       1.581401  51.30312       1.709245  -3.179077      1.661041  
1 1 1 14  9  18 o 77.58934 0.8956129 60.22182       1.389757  60.65619       1.974989  59.79578       1.955974  0.5541611      1.791226  
1 1 1 14  9  19 o 71.26389 0.8432281 50.08703       1.189911  55.84440       1.847705  46.00731       1.555378  6.896729       1.686456  
1 1 1 14  9  20 o 32.91000 0.5952752 10.83294       0.3915366 10.82628       0.5435721 10.84012       0.5644506 -0.2074814E-01 1.190550  
1 1 1 14  9  21 o 49.19307 0.6680043 23.65416       0.6480689 21.04343       0.8356662 27.59348       1.026509  -6.654114      1.336009  
1 1 1 14  9  22 o 51.34749 0.6877419 26.14247       0.7027656 28.79180       1.060346  24.06707       0.9384937 4.598145       1.375484  
1 1 1 14  9  23 o 79.65022 0.9171377 63.26044       1.457072  60.51489       1.974770  66.54132       2.158719  -3.777397      1.834275  
1 1 1 14  9  24 o 131.7748 1.417233  174.0043       3.735031  173.3195       5.261220  174.7001       5.303296  -0.5216370     2.834466  
1 1 1 14  9  25 o 48.02548 0.7339557 23.20733       0.6988683 21.98502       1.043663  24.20098       0.9409902 -2.310322      1.467911  
1 1 1 14  9  26 o 106.7228 1.684615  114.1413       3.591556  110.8662       4.937297  117.8220       5.234144  -3.235802      3.369229  
1 1 1 14  9  27 o 157.4923 2.182958  249.3901       6.719920  248.2483       8.625448  251.1533       10.71888  -0.6965790     4.365916  
1 1 1 14  9  28 o 22.01648 0.6556814 4.789653       0.2865209 4.377968       0.3777903 5.347072       0.4396012 -2.198687      1.311363  
1 1 1 14  9  29 o 35.53881 0.6253603 12.58528       0.4432275 13.99834       0.6485767 11.34712       0.6071123 3.728558       1.250721  
1 1 1 14  9  30 o 92.12173 1.038837  85.01181       1.913582  85.99140       2.740199  84.07936       2.673461  1.033272       2.077674  
1 1 1 14  9  31 o 72.90208 0.8685541 53.16106       1.265184  54.66585       1.838286  51.80679       1.743923  1.955147       1.737108  
1 1 1 14  9  32 o 36.55413 0.8214171 13.38935       0.5997745 13.55630       0.8307265 13.20756       0.8668444 0.4792633      1.642834  
1 1 1 14  9  33 o 17.94762 0.7692150 3.249774       0.2740248 3.589521       0.3798928 2.881264       0.3956464 1.974136       1.538430  
1 1 1 14  9  34 o 46.16731 0.6756720 21.30490       0.6233208 20.50531       0.8596465 22.19133       0.9051285 -1.823109      1.351344  
1 1 1 14  9  35 o 29.46966 0.6522812 8.692802       0.3836986 9.448292       0.5494905 7.973889       0.5360234 2.500647       1.304562  
1 1 1 14  9  36 o 24.62938 0.7475615 6.108279       0.3607391 6.241642       0.4683034 5.913663       0.5657153 0.6737576      1.495123  
1 1 1 14  9  37 o 69.60685 1.166509  48.54479       1.621388  50.98458       2.375924  46.41823       2.218174  3.258057       2.333018  
1 1 1 14  9  38 f 41.62541 0.7776380 17.43149       0.6328102 17.04632       1.001539  17.68744       0.8164232 -0.7887764     1.555276  
1 1 1 14  9  39 o 67.91321 0.8422167 46.16390       1.142603  44.58406       1.569972  47.94307       1.666077  -2.461975      1.684433  
1 1 1 14  9  40 o 56.94968 0.7640076 32.46521       0.8694730 33.60815       1.261584  31.43119       1.199970  1.904461       1.528015  
1 1 1 14  9  41 o 15.53339 0.9354982 2.399576       0.2891766 2.115907       0.3893321 2.748642       0.4318850 -2.030637      1.870996  
1 1 1 14  9  42 o 20.63898 1.158885  3.878494       0.4246899 5.204646       0.8681133 3.461254       0.4869371 4.147055       2.317770  
1 1 1 14  9  43 o 22.64956 1.081657  5.120069       0.4633469 5.039021       0.5672115 5.282627       0.8033065 -0.4931717     2.163315  
1 1 1 14  9  44 o 49.63589 0.7407861 24.63816       0.7340465 23.58725       1.001741  25.85681       1.078726  -2.275505      1.481572  
1 1 1 14  9  45 o 26.41083 1.252047  7.039289       0.6542427 7.022190       1.000354  7.052070       0.8648458 -0.9038544E-01 2.504094  
1 1 1 14  9  46 o 45.95913 0.7319322 21.13768       0.6717606 22.22540       0.9836702 20.18706       0.9195898 2.207073       1.463864  
1 1 1 14  9  47 f 8.312476 1.664428  0.6893376      0.2976801 0.4430088      0.3990353 0.9984480      0.4470030 -2.809219      3.328856  
1 1 1 14  9  48 o 12.12128 1.332021  1.548702       0.3052809 1.906156       0.4228416 1.159519       0.4412086 3.257074       2.664041  
1 1 1 14  9  49 o 34.29683 0.8138427 11.72045       0.5482285 11.33019       0.7059659 12.31334       0.8701527 -1.400753      1.627685  
1 1 1 14  10 0  o 190.7354 2.850476  363.6135       10.85337  377.5375       15.94612  351.5960       14.81426  6.775284       5.700951  
1 1 1 14  10 1  o 190.3828 2.841587  362.7397       10.81031  354.9976       14.92016  371.2953       15.68464  -4.263351      5.683174  
1 1 1 14  10 2  o 166.8550 2.507721  276.7572       8.319084  296.9238       12.61609  261.2425       11.06571  10.66164       5.015443  
1 1 1 14  10 3  o 202.8822 3.024064  412.2418       12.26499  405.1178       17.03869  419.9027       17.66913  -3.628220      6.048127  
1 1 1 14  10 4  o 111.6546 1.731930  124.4382       3.859915  129.6182       5.678348  119.9887       5.262796  4.306061       3.463861  
1 1 1 14  10 5  o 274.1382 4.057845  754.5358       22.24686  749.9825       31.25653  759.2108       31.67120  -1.668365      8.115690  
1 1 1 14  10 6  o 58.61352 1.075452  33.81410       1.248387  38.35474       1.938315  30.59547       1.631928  6.616035       2.150905  
1 1 1 14  10 7  o 99.28482 1.572421  98.22739       3.112221  93.84906       4.202131  103.5470       4.631875  -4.877670      3.144843  
1 1 1 14  10 8  o 105.5096 2.340033  111.4053       4.937918  111.4053       4.937918  ?              ?         ?              ?         
1 1 1 14  10 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  10 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  10 11 o 25.12282 0.5968191 6.297277       0.2995154 5.982508       0.4117906 6.650859       0.4364409 -1.330006      1.193638  
1 1 1 14  10 12 o 185.1235 2.372587  345.2076       8.372142  337.0900       14.09050  349.6374       10.40871  -3.488327      4.745175  
1 1 1 14  10 13 o 32.65455 0.5750257 10.12123       0.3657290 13.87485       0.5977960 7.875830       0.4623535 9.184618       1.150051  
1 1 1 14  10 14 o 180.1501 1.898896  324.8023       6.838254  319.2628       9.491552  330.7808       9.860500  -3.187134      3.797791  
1 1 1 14  10 15 o 139.6039 1.491405  195.0804       4.164109  194.8381       5.881523  195.3240       5.896382  -0.1736908     2.982810  
1 1 1 14  10 16 o 43.85502 0.6283780 19.13583       0.5493499 18.04762       0.7411607 20.46253       0.8183596 -2.752499      1.256756  
1 1 1 14  10 17 o 49.56109 0.6679036 24.56887       0.6620136 24.85600       0.9372318 24.28296       0.9352286 0.5780869      1.335807  
1 1 1 14  10 18 o 135.4333 1.450276  183.1284       3.919164  191.0155       5.784615  176.4361       5.328506  5.368469       2.900553  
1 1 1 14  10 19 o 157.9077 1.676514  249.6989       5.292626  246.0018       7.363011  253.6514       7.613057  -2.412369      3.353028  
1 1 1 14  10 20 o 43.26320 0.6368877 18.36327       0.5455912 21.53810       0.8462074 16.10453       0.7137562 6.277424       1.273775  
1 1 1 14  10 21 f 99.44989 1.585718  98.97430       3.150459  96.22178       4.333288  102.0606       4.588500  -2.923088      3.171435  
1 1 1 14  10 22 o 59.92641 0.7490325 35.75315       0.8947549 33.86231       1.206883  38.06081       1.333288  -3.499870      1.498065  
1 1 1 14  10 23 o 58.92965 0.9541032 33.41852       1.002291  37.72297       1.971621  31.91847       1.163905  4.897293       1.908206  
1 1 1 14  10 24 o 21.56964 1.173070  4.660288       0.5060541 4.659012       0.7155503 4.661564       0.7157868 -0.5905151E-02 2.346141  
1 1 1 14  10 25 o 85.99726 1.218305  73.76614       1.949919  73.20028       2.355111  74.99955       3.477034  -0.9847717     2.436611  
1 1 1 14  10 26 o 131.4447 1.416654  173.2457       3.724017  172.2320       5.232902  174.2858       5.300866  -0.7765045     2.833308  
1 1 1 14  10 27 o 18.90436 0.7035198 3.489432       0.2622128 2.809070       0.3437478 4.436235       0.4055081 -4.301380      1.407040  
1 1 1 14  10 28 o 55.18071 0.7236937 30.47339       0.7986118 30.41052       1.121643  30.53802       1.137336  -0.1148987     1.447387  
1 1 1 14  10 29 o 23.34490 0.6461346 5.405659       0.3001804 4.978494       0.4008717 5.950938       0.4529149 -2.080669      1.292269  
1 1 1 14  10 30 o 39.57457 0.6532897 15.59608       0.5157716 17.01771       0.7607909 14.38698       0.7016193 3.321045       1.306579  
1 1 1 14  10 31 o 119.1426 1.301301  142.4134       3.100210  143.9353       4.436494  140.9609       4.334020  1.238533       2.602601  
1 1 1 14  10 32 o 22.98347 0.6721199 5.289693       0.3083240 5.315693       0.4233119 5.260313       0.4499811 0.1219559      1.344240  
1 1 1 14  10 33 f 38.01683 0.6468660 14.44195       0.4913357 13.89062       0.6764759 15.05754       0.7148154 -1.532516      1.293732  
1 1 1 14  10 34 o 18.61551 0.7727148 3.506891       0.2819318 4.365727       0.4024323 2.679096       0.3950927 4.529610       1.545430  
1 1 1 14  10 35 o 45.70169 0.6836957 20.91273       0.6248609 20.69437       0.8762816 21.13863       0.8912829 -0.4849434     1.367391  
1 1 1 14  10 36 o 34.61271 0.6569044 11.86423       0.4521869 13.60041       0.6809670 10.49485       0.6047702 4.480328       1.313809  
1 1 1 14  10 37 o 49.63014 0.7084013 24.66907       0.7030650 25.15635       1.003835  24.19991       0.9850007 0.9618797      1.416803  
1 1 1 14  10 38 o 39.90388 0.7932912 16.12800       0.6140152 16.68987       0.7861359 15.24899       0.9832698 1.826344       1.586582  
1 1 1 14  10 39 o 56.43046 1.020271  31.95247       1.151007  33.20596       1.652240  30.77059       1.604356  2.150932       2.040542  
1 1 1 14  10 40 o 48.83736 0.7273046 23.82611       0.7092201 22.47847       0.9702837 25.37212       1.039241  -2.955158      1.454609  
1 1 1 14  10 41 o 71.34627 1.303896  50.78655       1.846185  55.39069       2.831379  47.38123       2.435020  5.527771       2.607792  
1 1 1 14  10 42 o 35.78741 0.6933752 12.83953       0.4961674 12.91270       0.6954022 12.76366       0.7081446 0.2097816      1.386750  
1 1 1 14  10 43 o 30.83498 0.6979368 9.452813       0.4285884 8.463621       0.5777866 10.66296       0.6390668 -3.558598      1.395874  
1 1 1 14  10 44 o 48.58792 0.7412533 23.68001       0.7203149 23.73675       1.020817  23.62375       1.016555  0.1156540      1.482507  
1 1 1 14  10 45 f 17.53974 0.9360332 3.082013       0.3253740 2.545042       0.4460172 3.692870       0.4757137 -3.266254      1.872066  
1 1 1 14  10 46 o 44.67730 0.7304150 20.02473       0.6526223 19.76525       0.9175205 20.29044       0.9284714 -0.5859909     1.460830  
1 1 1 14  10 47 o 18.08665 0.9400731 3.308604       0.3380590 3.532371       0.4645848 3.056789       0.4928406 1.320908       1.880146  
1 1 1 14  10 48 o 17.65590 0.9772023 3.142241       0.3440116 3.190921       0.4706182 3.086385       0.5041195 0.3042488      1.954405  
1 1 1 14  10 49 o 10.39880 3.702182  0.000000       0.000000  ?              ?         1.003146       0.9723315 ?              ?         
1 1 1 14  11 0  f 132.9066 2.027658  176.7082       5.387072  173.6665       7.477726  179.9902       7.767473  -2.374069      4.055315  
1 1 1 14  11 1  o 132.0358 2.015758  174.1812       5.315191  180.2491       7.775471  168.8586       7.282368  4.304840       4.031515  
1 1 1 14  11 2  o 132.3632 2.020630  175.3355       5.348014  173.3980       7.472136  177.3705       7.657749  -1.497299      4.041260  
1 1 1 14  11 3  o 38.78536 0.9604834 14.83183       0.7392878 17.59616       1.119847  12.69641       0.9842507 6.315323       1.920967  
1 1 1 14  11 4  o 87.86346 1.427483  77.19045       2.507053  75.83829       3.476362  78.65582       3.618952  -1.601486      2.854966  
1 1 1 14  11 5  o 127.4280 1.953840  162.0876       4.967984  156.2497       6.755866  168.9615       7.330889  -4.977272      3.907679  
1 1 1 14  11 6  f 125.2089 1.934960  156.9293       4.845275  156.4661       6.816581  157.4023       6.888492  -0.3725052     3.869920  
1 1 1 14  11 7  o 36.31926 0.9829426 12.87475       0.7039887 16.33344       1.088816  10.39023       0.9228277 8.180252       1.965885  
1 1 1 14  11 8  o 52.85538 1.045793  27.32314       1.092382  32.31475       1.711897  23.89454       1.418783  7.962086       2.091586  
1 1 1 14  11 9  o 240.4939 3.572064  580.4158       17.17497  589.4781       24.69043  571.9197       23.90668  3.619751       7.144128  
1 1 1 14  11 10 o 51.64814 1.051679  26.14979       1.075285  30.97743       1.667346  22.71226       1.406961  7.998291       2.103359  
1 1 1 14  11 11 o 29.67358 1.421849  8.808251       0.8438272 8.808251       0.8438272 ?              ?         ?              ?         
1 1 1 14  11 12 o 67.85801 1.090279  43.74186       1.424640  54.77468       2.451204  38.11398       1.750687  12.26607       2.180558  
1 1 1 14  11 13 o 129.5290 1.947715  167.6341       5.035407  162.0512       6.863397  174.1422       7.410288  -4.651611      3.895430  
1 1 1 14  11 14 o 40.10069 0.6853931 16.19443       0.5451710 13.95360       0.7771400 18.36569       0.7649804 -5.501396      1.370786  
1 1 1 14  11 15 f 143.1357 1.527076  205.0403       4.370450  202.4098       6.097961  207.8186       6.267006  -1.885071      3.054152  
1 1 1 14  11 16 o 104.7113 1.147610  109.6036       2.401216  107.0624       3.312931  112.4162       3.485286  -2.552673      2.295220  
1 1 1 14  11 17 o 178.5047 1.885186  319.2327       6.728333  323.5968       9.655587  315.1133       9.380955  2.364929       3.770372  
1 1 1 14  11 18 o 127.9538 1.377256  163.7879       3.521928  160.3850       4.870396  167.5178       5.098980  -2.779701      2.754512  
1 1 1 14  11 19 o 25.17555 0.5821193 6.353575       0.2919913 7.014900       0.4139584 5.698730       0.4119253 2.613953       1.164239  
1 1 1 14  11 20 o 52.51755 0.6950274 27.55574       0.7294722 28.55508       1.057008  26.64692       1.007996  1.815609       1.390055  
1 1 1 14  11 21 o 79.69822 1.210621  63.78219       1.889359  62.73140       2.980594  64.48802       2.442844  -1.123840      2.421242  
1 1 1 14  11 22 o 30.38683 1.035340  9.237750       0.6287530 9.093145       0.8699808 9.395871       0.9097328 -0.4966068     2.070680  
1 1 1 14  11 23 o 56.11625 0.9295262 31.91413       0.9704309 32.61894       1.180667  30.44645       1.703759  1.956238       1.859052  
1 1 1 14  11 24 f 89.62943 1.014200  79.99486       1.810377  85.13420       2.715128  75.88100       2.429188  5.148705       2.028401  
1 1 1 14  11 25 o 56.05529 0.7256171 31.43466       0.8132666 31.04082       1.134240  31.85138       1.166713  -0.7218552     1.451234  
1 1 1 14  11 26 o 22.46339 0.6427878 4.889040       0.2839220 3.926710       0.3675730 6.312481       0.4470451 -5.307661      1.285576  
1 1 1 14  11 27 o 51.50395 0.6995883 26.46044       0.7190608 25.30143       0.9782998 27.82233       1.060475  -2.444099      1.399177  
1 1 1 14  11 28 o 18.59746 0.7197360 3.347772       0.2618575 2.531711       0.3400373 4.536924       0.4104725 -5.388004      1.439472  
1 1 1 14  11 29 o 16.80369 0.8571279 2.788932       0.2858827 2.515528       0.3771381 3.158244       0.4383242 -1.908749      1.714256  
1 1 1 14  11 30 o 49.89812 0.6997203 24.92325       0.6982800 25.09625       0.9871498 24.75000       0.9878845 0.3469963      1.399441  
1 1 1 14  11 31 o 36.09047 0.6374974 12.93202       0.4581640 11.89439       0.6142941 14.23283       0.6878026 -3.235878      1.274995  
1 1 1 14  11 32 o 44.05953 0.6639217 19.42310       0.5848780 18.86533       0.8166313 20.01053       0.8380702 -1.298355      1.327843  
1 1 1 14  11 33 o 20.44712 0.7146340 4.194768       0.2914726 4.537767       0.4116895 3.850045       0.4127215 1.681784       1.429268  
1 1 1 14  11 34 o 72.95094 0.8779434 53.34027       1.280906  53.39548       1.818065  53.28586       1.804957  0.7392883E-01  1.755887  
1 1 1 14  11 35 o 40.53790 0.6668828 16.25734       0.5373535 18.48098       0.8153435 14.54986       0.7144730 4.841045       1.333766  
1 1 1 14  11 36 o 12.71735 1.010422  1.657443       0.2510616 1.991408       0.3473476 1.292102       0.3632986 2.751364       2.020844  
1 1 1 14  11 37 o 37.56873 0.6665137 14.03972       0.4990509 12.86598       0.6734238 15.46954       0.7432624 -3.458839      1.333027  
1 1 1 14  11 38 f 65.31763 0.8261383 42.75404       1.078732  43.51960       1.554074  42.04219       1.498555  1.124611       1.652277  
1 1 1 14  11 39 o 16.92886 1.501330  2.781859       0.4737290 3.197718       0.8646936 2.603508       0.5662743 1.689825       3.002659  
1 1 1 14  11 40 o 42.72792 1.248058  18.31997       1.066539  18.31997       1.066539  ?              ?         ?              ?         
1 1 1 14  11 41 o 40.60754 0.7893198 16.54302       0.6278732 16.52840       0.9933962 16.55275       0.8102322 -0.5516052E-01 1.578640  
1 1 1 14  11 42 o 34.37162 0.6930589 11.81975       0.4759399 11.33365       0.6552570 12.36260       0.6924425 -1.492233      1.386118  
1 1 1 14  11 43 o 45.60207 0.7134826 20.84445       0.6505671 20.22632       0.9107613 21.48843       0.9296099 -1.381271      1.426965  
1 1 1 14  11 44 o 6.331966 1.558170  0.2373874      0.2673565 -0.8319961E-01 0.3519606 0.6747306      0.4110857 -3.504578      3.116341  
1 1 1 14  11 45 o 34.41764 0.7156801 11.88539       0.4925829 12.06066       0.6953474 11.70882       0.6978945 0.5115395      1.431360  
1 1 1 14  11 46 o 16.19588 1.046164  2.582837       0.3261262 1.727373       0.4295534 3.746964       0.5010910 -6.218445      2.092328  
1 1 1 14  11 47 o 17.58320 0.9602560 3.071491       0.3337829 2.480617       0.4473150 3.813825       0.5013783 -3.778321      1.920512  
1 1 1 14  11 48 o 16.34607 1.185622  2.436784       0.3682914 1.826762       0.4463209 3.738508       0.6519795 -5.788089      2.371245  
1 1 1 14  12 0  o 110.1725 1.719911  120.9670       3.777509  127.5349       5.621325  115.5590       5.100919  5.426826       3.439823  
1 1 1 14  12 1  o 277.9039 4.115246  775.6539       22.87033  769.5895       32.06000  781.9379       32.63470  -2.199677      8.230493  
1 1 1 14  12 2  o 93.44740 1.499113  86.91351       2.791029  92.50921       4.174778  82.39127       3.753042  5.407692       2.998227  
1 1 1 14  12 3  o 199.5135 2.979596  399.0008       11.88865  401.8748       16.92816  396.2036       16.70034  1.414627       5.959193  
1 1 1 14  12 4  o 110.4455 1.725803  120.8437       3.782107  131.7073       5.804812  112.8302       4.985585  8.531578       3.451605  
1 1 1 14  12 5  o 142.6412 2.169175  203.7488       6.188275  203.8626       8.749614  203.6349       8.753472  0.7989502E-01  4.338351  
1 1 1 14  12 6  o 109.2094 1.708079  119.3354       3.729735  117.8592       5.202099  120.8970       5.350306  -1.388084      3.416157  
1 1 1 14  12 7  o 136.6587 2.088361  186.8671       5.704148  183.2206       7.898102  190.8428       8.246970  -2.780655      4.176722  
1 1 1 14  12 8  f 86.60556 1.413764  75.03850       2.448373  74.26078       3.424548  75.85170       3.501790  -0.9172211     2.827528  
1 1 1 14  12 9  o 137.2054 2.097991  187.9113       5.741822  196.7815       8.501215  180.4705       7.786147  5.925797       4.195982  
1 1 1 14  12 10 o 21.25583 1.226606  4.529091       0.5203091 4.684643       0.7204602 4.359520       0.7522234 0.7652950      2.453213  
1 1 1 14  12 11 o 79.92073 1.338977  63.54728       2.130939  60.16321       2.856926  67.79091       3.199250  -4.765404      2.677954  
1 1 1 14  12 12 o 142.7546 1.888831  202.6522       5.018629  200.1760       6.055083  208.0860       8.969816  -2.685608      3.777663  
1 1 1 14  12 13 o 121.5927 1.314851  147.3352       3.185964  141.0172       4.292695  155.0833       4.753769  -5.774139      2.629702  
1 1 1 14  12 14 o 115.7260 1.541115  131.7928       3.304622  128.1616       3.957962  140.1499       6.004521  -5.123367      3.082230  
1 1 1 14  12 15 f 147.3533 2.206856  216.8812       6.481749  207.8410       8.746569  227.8936       9.653550  -6.762695      4.413713  
1 1 1 14  12 16 o 187.1069 2.785046  351.6957       10.41837  346.6520       14.50552  357.0697       14.97319  -2.754166      5.570091  
1 1 1 14  12 17 f 9.314301 0.9107431 0.8798320      0.1671720 1.023019       0.2322283 0.7258276      0.2408405 1.595546       1.821486  
1 1 1 14  12 18 o 69.52424 1.056225  46.03522       1.292670  53.35011       2.608829  43.65485       1.488207  6.938965       2.112450  
1 1 1 14  12 19 o 81.95493 1.368547  67.27380       2.243055  67.99815       3.192892  66.56796       3.151824  0.8707352      2.737094  
1 1 1 14  12 20 o 55.99450 0.9771322 30.99467       1.047286  30.08965       1.295282  32.70329       1.779756  -2.317795      1.954264  
1 1 1 14  12 21 o 86.61165 0.9819140 75.02814       1.699735  73.42842       2.351816  76.77750       2.459364  -1.929375      1.963828  
1 1 1 14  12 22 o 64.52767 1.178224  41.59342       1.517717  39.89812       2.070572  43.56190       2.231168  -2.830627      2.356448  
1 1 1 14  12 23 o 35.61513 0.6086155 12.69286       0.4333945 13.04390       0.6129417 12.34189       0.6128830 0.9855537      1.217231  
1 1 1 14  12 24 f 68.60927 0.8275482 47.11617       1.135521  46.98598       1.599302  47.24852       1.612517  -0.1907883     1.655096  
1 1 1 14  12 25 o 57.66676 0.7433448 33.01398       0.8527917 30.80826       1.136907  35.85159       1.289516  -4.366806      1.486690  
1 1 1 14  12 26 o 57.61509 0.7459963 33.19136       0.8591587 34.25745       1.239773  32.20630       1.191719  1.778053       1.491993  
1 1 1 14  12 27 o 87.23554 0.9965774 75.52531       1.726667  70.61259       2.284849  82.06648       2.636476  -6.543396      1.993155  
1 1 1 14  12 28 o 55.92228 0.7416669 31.30562       0.8294953 31.53886       1.177760  31.07605       1.168463  0.4133186      1.483334  
1 1 1 14  12 29 o 23.19282 0.6619175 5.321562       0.3052548 4.732477       0.4072261 6.077094       0.4611824 -2.896246      1.323835  
1 1 1 14  12 30 o 49.22961 0.6995996 24.15102       0.6871724 25.98897       1.014969  22.59554       0.9337241 3.441956       1.399199  
1 1 1 14  12 31 o 32.32198 0.6431297 10.34354       0.4134676 9.245028       0.5522155 11.74516       0.6237627 -3.863537      1.286259  
1 1 1 14  12 32 f 28.87639 0.6547132 8.327724       0.3773386 8.046077       0.5142493 8.656246       0.5553977 -1.053879      1.309426  
1 1 1 14  12 33 o 98.14052 1.104148  96.61665       2.166524  94.88811       3.017214  98.45652       3.112881  -1.806923      2.208296  
1 1 1 14  12 34 o 31.36758 0.6480022 9.851549       0.4064341 10.14184       0.5776723 9.566987       0.5719400 0.9159031      1.296004  
1 1 1 14  12 35 o 34.50497 0.6530405 11.89289       0.4500776 11.28368       0.6180537 12.58071       0.6567159 -1.876423      1.306081  
1 1 1 14  12 36 o 66.76456 0.8357438 44.46487       1.112559  41.89080       1.503276  47.58229       1.654344  -4.245712      1.671488  
1 1 1 14  12 37 o 42.35868 0.9281632 16.46678       0.6680972 20.99152       1.449671  15.24659       0.7528093 6.693752       1.856326  
1 1 1 14  12 38 o 8.179509 1.897777  0.4716767      0.3511677 0.2000132      0.4178987 1.124461       0.6477988 -4.403462      3.795554  
1 1 1 14  12 39 o 50.82716 0.7353583 25.74548       0.7451549 27.81577       1.108940  24.04117       1.006158  3.701683       1.470717  
1 1 1 14  12 40 o 19.32256 0.8230773 3.734240       0.3175733 3.526370       0.4347327 3.972093       0.4650294 -1.149088      1.646155  
1 1 1 14  12 41 o 38.98307 0.8128615 14.86478       0.6084538 13.96253       0.7509740 16.58882       1.038092  -3.327404      1.625723  
1 1 1 14  12 42 o 20.00216 0.9907314 3.974181       0.3933785 3.653196       0.5190349 4.407421       0.6030023 -1.869953      1.981463  
1 1 1 14  12 43 o 58.66089 0.7996441 34.52995       0.9380599 33.84629       1.318563  35.23058       1.334820  -1.177322      1.599288  
1 1 1 14  12 44 o 45.32569 0.7322162 20.56047       0.6628312 21.61520       0.9692543 19.63390       0.9084658 2.175842       1.464432  
1 1 1 14  12 45 o 35.77644 0.7189835 12.81330       0.5138730 13.63238       0.7458519 12.07316       0.7090003 2.173260       1.437967  
1 1 1 14  12 46 o 7.477193 1.864918  0.5409075E-01  0.3482342 -0.2944416     0.3984146 1.182160       0.7167727 -6.267683      3.729836  
1 1 1 14  12 47 o 13.00998 1.238736  1.692748       0.3199456 1.434353       0.4305654 2.011348       0.4781018 -2.202971      2.477473  
1 1 1 14  12 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  13 0  o 266.9344 3.958623  715.1971       21.11900  701.0308       29.21889  730.6934       30.55977  -5.501617      7.917247  
1 1 1 14  13 1  o 93.11050 1.495945  86.74855       2.785688  87.43147       3.956947  86.07751       3.922396  0.7265320      2.991890  
1 1 1 14  13 2  o 98.27008 1.567565  96.64205       3.080880  97.02744       4.358242  96.25711       4.355804  0.3919067      3.135131  
1 1 1 14  13 3  o 166.1062 2.503260  276.4162       8.315254  274.4733       11.65933  278.4273       11.86239  -1.184677      5.006521  
1 1 1 14  13 4  o 193.4027 2.893281  374.8219       11.18607  381.6394       16.11970  368.4897       15.53546  3.380692       5.786562  
1 1 1 14  13 5  o 143.8728 2.190728  207.2424       6.301708  204.5457       8.780631  210.1067       9.049366  -1.925858      4.381455  
1 1 1 14  13 6  o 31.80279 1.040438  10.13274       0.6571093 11.73239       0.9429857 8.622742       0.9161796 4.888628       2.080876  
1 1 1 14  13 7  o 53.15375 1.066673  28.07550       1.130096  30.81199       1.682727  25.82725       1.525247  4.686867       2.133346  
1 1 1 14  13 8  f 192.5257 2.882046  371.0531       11.07761  384.5450       16.25797  359.3613       15.13450  6.496323       5.764091  
1 1 1 14  13 9  f 100.7660 1.606493  101.6476       3.237595  101.7056       4.579451  101.5897       4.577852  0.5747986E-01  3.212986  
1 1 1 14  13 10 o 44.25445 1.025832  19.46615       0.9043506 22.04937       1.336254  17.28301       1.228429  5.383438       2.051665  
1 1 1 14  13 11 o 99.95009 1.594970  99.98507       3.187652  101.5518       4.566634  98.49625       4.451608  1.525536       3.189939  
1 1 1 14  13 12 o 43.80598 1.037974  19.09061       0.9061812 17.94955       1.220428  20.49272       1.352845  -2.900314      2.075948  
1 1 1 14  13 13 o 218.2982 2.295971  477.9473       10.02351  480.9494       14.27060  475.0240       14.08205  1.348419       4.591941  
1 1 1 14  13 14 o 146.8631 1.566770  215.2225       4.587770  206.4985       6.202527  225.7610       6.817107  -6.536484      3.133540  
1 1 1 14  13 15 o 47.27027 0.6491486 22.18371       0.6111487 24.23896       0.9168008 20.54001       0.8198865 3.911026       1.298297  
1 1 1 14  13 16 o 56.71915 1.553410  32.20045       1.762162  32.20045       1.762162  ?              ?         ?              ?         
1 1 1 14  13 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  13 18 f 59.96184 1.405393  35.98768       1.685400  35.98768       1.685400  ?              ?         ?              ?         
1 1 1 14  13 19 o 75.12457 1.055120  56.04457       1.501636  57.90847       2.596593  55.10796       1.840652  1.836250       2.110241  
1 1 1 14  13 20 o 73.43362 0.8649480 53.56258       1.263168  50.35954       1.681812  57.70791       1.913265  -4.995316      1.729896  
1 1 1 14  13 21 o 69.37500 0.8303532 47.98108       1.149126  50.74487       1.701588  45.66377       1.558095  3.656731       1.660706  
1 1 1 14  13 22 o 88.22237 1.000044  77.50860       1.757093  73.58146       2.357905  82.41270       2.634918  -4.992195      2.000088  
1 1 1 14  13 23 o 23.59270 0.6058082 5.574690       0.2855592 5.756827       0.3994806 5.384376       0.4083489 0.7896042      1.211616  
1 1 1 14  13 24 o 116.8919 1.277035  136.8044       2.982554  133.3689       4.109518  140.6280       4.335487  -3.089584      2.554070  
1 1 1 14  13 25 f 108.1935 1.193342  117.3222       2.582235  117.2852       3.648705  117.3594       3.654965  -0.3388977E-01 2.386685  
1 1 1 14  13 26 o 50.38977 0.9065448 24.94024       0.9022782 22.49783       1.169088  28.53807       1.418921  -5.979366      1.813090  
1 1 1 14  13 27 o 73.32559 0.8779096 53.72728       1.285231  51.90932       1.756221  55.82358       1.885878  -2.661110      1.755819  
1 1 1 14  13 28 o 91.65687 1.040413  84.17181       1.906863  85.23733       2.728844  83.15502       2.665688  1.131241       2.080825  
1 1 1 14  13 29 o 89.04987 1.019151  79.48518       1.815073  79.74878       2.576046  79.22530       2.557854  0.2924271      2.038302  
1 1 1 14  13 30 o 51.65224 0.7159013 26.69466       0.7393022 27.53094       1.061777  25.90767       1.030009  1.569366       1.431803  
1 1 1 14  13 31 o 37.76114 0.6596947 14.14019       0.4956476 12.93808       0.6613929 15.68011       0.7485788 -3.625149      1.319389  
1 1 1 14  13 32 o 54.92224 0.7429611 30.19409       0.8158324 31.06518       1.171691  29.37436       1.136630  1.536552       1.485922  
1 1 1 14  13 33 o 11.47527 1.073050  1.305383       0.2443383 1.103344       0.3273809 1.559441       0.3671158 -1.982583      2.146101  
1 1 1 14  13 34 o 42.05822 0.6698426 17.68053       0.5628824 16.78433       0.7765396 18.67275       0.8170785 -2.241737      1.339685  
1 1 1 14  13 35 o 18.99364 0.9190595 3.773870       0.3325894 2.996656       0.5238075 4.298862       0.4305049 -3.438826      1.838119  
1 1 1 14  13 36 o 16.49938 1.671716  2.726563       0.5488409 3.007936       0.8287423 2.506751       0.7324948 1.496875       3.343432  
1 1 1 14  13 37 o 10.08853 1.330604  1.143568       0.2539994 1.676567       0.3463836 0.5236042      0.3735742 5.672062       2.661209  
1 1 1 14  13 38 f 45.50117 0.7064765 20.72893       0.6426266 21.49010       0.9244875 20.01728       0.8939063 1.615227       1.412953  
1 1 1 14  13 39 o 40.27507 0.6862157 16.23175       0.5523037 15.45154       0.7645475 17.08329       0.7987236 -2.021812      1.372431  
1 1 1 14  13 40 o 21.89837 0.7710202 4.819211       0.3362357 5.369094       0.4780193 4.280727       0.4730381 2.484364       1.542040  
1 1 1 14  13 41 o 36.17027 0.6848269 13.11213       0.4953653 12.91755       0.6953284 13.31267       0.7058957 -0.5448837     1.369654  
1 1 1 14  13 42 o 20.76793 0.8807672 4.393839       0.3581883 4.693513       0.4713285 3.984172       0.5510792 1.721493       1.761534  
1 1 1 14  13 43 f 29.28785 0.8783144 8.593874       0.5126774 8.354396       0.6925799 8.884168       0.7625277 -0.8914814     1.756629  
1 1 1 14  13 44 f 41.86372 0.7547909 17.41441       0.6270981 18.94789       0.9614635 16.27907       0.8272858 3.165154       1.509582  
1 1 1 14  13 45 o 14.24089 1.104592  2.032482       0.3123814 1.716794       0.4259020 2.400044       0.4595641 -2.390317      2.209183  
1 1 1 14  13 46 o 44.75798 2.388084  20.44064       2.137717  20.44064       2.137717  ?              ?         ?              ?         
1 1 1 14  13 47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  14 0  o 169.6357 2.552350  288.0366       8.651196  295.5946       12.56703  281.2285       11.92730  4.215790       5.104699  
1 1 1 14  14 1  f 161.9219 2.442745  262.5742       7.907430  258.5386       10.99585  266.8963       11.37961  -2.569885      4.885489  
1 1 1 14  14 2  o 137.8839 2.106189  189.8313       5.794085  198.2758       8.560347  182.6919       7.871121  5.633789       4.212378  
1 1 1 14  14 3  o 85.69818 1.408180  73.49193       2.413556  73.83084       3.418443  73.15504       3.408148  0.3941116      2.816360  
1 1 1 14  14 4  o 68.18495 1.207559  45.84415       1.630787  41.96062       2.133042  51.30760       2.529996  -6.847939      2.415118  
1 1 1 14  14 5  o 56.13322 1.090666  31.52520       1.224303  32.14938       1.733963  30.90466       1.728900  1.108646       2.181332  
1 1 1 14  14 6  o 124.5616 1.926772  155.2957       4.797389  152.5652       6.653712  158.2520       6.923388  -2.275101      3.853544  
1 1 1 14  14 7  o 79.02251 1.337215  62.19838       2.107149  66.30190       3.130753  58.80012       2.849046  4.740746       2.674431  
1 1 1 14  14 8  o 108.5391 1.710787  117.8033       3.709619  114.7498       5.103642  121.2236       5.401400  -2.974037      3.421575  
1 1 1 14  14 9  o 145.5309 2.217466  212.2206       6.452597  215.2006       9.250545  209.3966       9.005104  1.984909       4.434932  
1 1 1 14  14 10 o 50.67214 1.076636  25.67778       1.090388  25.31894       1.510537  26.06819       1.575603  -0.7380142     2.153273  
1 1 1 14  14 11 o 46.82849 1.048769  21.77966       0.9778966 20.26294       1.309720  23.69039       1.470030  -3.656105      2.097538  
1 1 1 14  14 12 o 147.9446 2.254735  219.5762       6.671368  218.8062       9.397455  220.3586       9.472472  -0.5208282     4.509470  
1 1 1 14  14 13 o 140.5642 2.152880  198.0596       6.048791  194.1787       8.382769  202.2751       8.736775  -2.861649      4.305761  
1 1 1 14  14 14 o 93.61745 1.518021  87.63803       2.838324  84.98946       3.892263  90.64596       4.147914  -3.010696      3.036041  
1 1 1 14  14 15 f 43.59675 0.8669790 19.70768       0.6800274 20.69728       0.8134462 17.41101       1.239219  3.779587       1.733958  
1 1 1 14  14 16 o 87.94953 0.9933656 76.84330       1.737665  82.76926       2.630216  72.25359       2.314757  5.967957       1.986731  
1 1 1 14  14 17 o 41.02781 0.6222822 16.81907       0.5102260 17.76155       0.7347427 15.94128       0.7090786 2.217789       1.244564  
1 1 1 14  14 18 o 67.19826 0.8133950 44.69679       1.085574  49.32916       1.659046  41.22840       1.435558  6.020638       1.626790  
1 1 1 14  14 19 o 113.9393 1.509645  130.2166       3.264688  130.2886       4.026898  130.0784       5.576530  0.1920776      3.019290  
1 1 1 14  14 20 f 50.19910 0.8887389 25.20578       0.8919295 25.96834       1.282990  24.49252       1.240824  1.468258       1.777478  
1 1 1 14  14 21 o 145.9008 2.195423  214.2004       6.404751  211.7371       8.941903  216.7956       9.178085  -1.708740      4.390846  
1 1 1 14  14 22 o 89.48839 1.091248  79.85410       1.925664  82.36665       3.005056  78.10351       2.508352  2.354080       2.182495  
1 1 1 14  14 23 f 111.7949 1.228217  125.0910       2.743158  121.6672       3.774184  128.9251       3.993961  -3.231491      2.456434  
1 1 1 14  14 24 o 32.38012 0.7246394 10.46522       0.4685304 10.00320       0.6408387 10.99581       0.6867445 -1.530836      1.449279  
1 1 1 14  14 25 o 72.72298 0.8688447 52.40928       1.254225  48.74174       1.655371  57.35226       1.921777  -5.905113      1.737689  
1 1 1 14  14 26 o 34.76121 0.6288414 12.00751       0.4356328 13.34346       0.6476893 10.90388       0.5886846 3.506454       1.257683  
1 1 1 14  14 27 o 73.93056 0.8819628 54.14498       1.293969  50.21928       1.705830  59.46511       1.985813  -6.235161      1.763926  
1 1 1 14  14 28 o 30.11546 0.6328704 9.020017       0.3797389 8.435874       0.5105547 9.743278       0.5681075 -2.167677      1.265741  
1 1 1 14  14 29 o 9.321741 1.176195  0.9009262      0.2114432 1.064960       0.2942738 0.7258523      0.3040157 1.969864       2.352391  
1 1 1 14  14 30 o 58.26130 0.7676659 33.87062       0.8923890 32.20048       1.212105  35.84736       1.318676  -3.121708      1.535332  
1 1 1 14  14 31 o 11.19757 1.063717  1.257299       0.2364677 1.061464       0.3272539 1.471268       0.3420697 -1.828234      2.127433  
1 1 1 14  14 32 o 39.12271 0.6709082 15.10370       0.5207286 13.58640       0.6855060 17.17368       0.8006781 -4.576061      1.341816  
1 1 1 14  14 33 o 51.26638 0.8071626 26.36069       0.8161176 26.21900       1.261986  26.46254       1.069967  -0.2560959     1.614325  
1 1 1 14  14 34 f 28.35756 1.235020  7.579180       0.6767043 11.04896       1.120127  5.584954       0.8491873 9.590807       2.470041  
1 1 1 14  14 35 o 20.37202 0.7402710 4.159585       0.3015235 4.187696       0.4220475 4.130280       0.4309286 0.1418152      1.480542  
1 1 1 14  14 36 o 23.91065 0.7173154 5.722263       0.3386888 7.021589       0.4937623 4.567685       0.4654474 5.128521       1.434631  
1 1 1 14  14 37 o 8.991879 1.406007  0.8504857      0.2518364 1.037540       0.3437565 0.6337923      0.3699895 2.327385       2.812014  
1 1 1 14  14 38 o 53.58566 0.7532582 28.76141       0.8067042 29.53925       1.167928  28.05174       1.115576  1.381424       1.506516  
1 1 1 14  14 39 o 16.49172 0.8985413 2.733613       0.2958186 2.784524       0.4083829 2.677410       0.4290859 0.3280239      1.797083  
1 1 1 14  14 40 o 25.59513 0.7337108 6.554467       0.3751646 6.243157       0.5161486 6.903155       0.5462565 -1.285339      1.467422  
1 1 1 14  14 41 o 31.51182 0.7064938 9.929808       0.4443770 10.85151       0.6459122 9.101482       0.6123204 2.772148       1.412988  
1 1 1 14  14 42 o 56.18891 0.7848355 31.66756       0.8816130 32.24500       1.269101  31.12902       1.225614  0.9860725      1.569671  
1 1 1 14  14 43 o 39.95863 0.7160774 16.01385       0.5721880 16.32338       0.8173065 15.71632       0.8013225 0.7570686      1.432155  
1 1 1 14  14 44 o 13.61996 1.323687  1.815731       0.3534942 1.585730       0.4489362 2.191005       0.5734473 -2.184293      2.647374  
1 1 1 14  14 45 o 26.82593 1.181983  7.188319       0.5989043 7.508433       1.043669  7.031151       0.7312952 0.7980919      2.363965  
1 1 1 14  14 46 o 24.12394 1.897363  5.892065       0.9154374 5.892065       0.9154374 ?              ?         ?              ?         
1 1 1 14  15 0  o 164.2227 2.479112  270.0205       8.134556  263.6596       11.21074  277.0935       11.82155  -4.069366      4.958224  
1 1 1 14  15 1  o 210.2225 3.138605  443.0942       13.18086  431.9818       18.12696  455.5617       19.20044  -5.560226      6.277211  
1 1 1 14  15 2  o 19.72755 1.370046  3.869612       0.5306093 2.932158       0.7185603 4.993786       0.7868736 -5.223881      2.740093  
1 1 1 14  15 3  o 99.85727 1.594920  99.80186       3.184651  98.70348       4.450800  100.9541       4.558690  -1.124275      3.189839  
1 1 1 14  15 4  o 136.2609 2.086898  186.0337       5.687249  186.0465       8.039681  186.0208       8.046293  0.9628296E-02  4.173797  
1 1 1 14  15 5  o 138.7731 2.124865  192.0255       5.873711  203.2110       8.793756  183.0153       7.892502  7.245331       4.249731  
1 1 1 14  15 6  o 170.4040 2.574134  291.2705       8.772217  289.0731       12.31634  293.5329       12.49721  -1.300720      5.148267  
1 1 1 14  15 7  o 104.8877 1.665416  110.0617       3.490897  107.5410       4.823096  112.8350       5.059104  -2.516502      3.330833  
1 1 1 14  15 8  o 57.71928 1.118921  33.32817       1.291417  34.23830       1.843623  32.45140       1.809531  1.547157       2.237842  
1 1 1 14  15 9  o 118.9487 1.855231  141.7440       4.412535  143.7456       6.322864  139.8436       6.160824  1.633659       3.710462  
1 1 1 14  15 10 o 149.6614 2.282111  224.0661       6.813871  215.6919       9.252644  233.9889       10.07194  -6.069641      4.564222  
1 1 1 14  15 11 o 17.97115 1.445400  3.203232       0.5169992 2.886926       0.6925071 3.601506       0.7770726 -1.985104      2.890799  
1 1 1 14  15 12 f 167.7704 2.539911  282.0506       8.501665  271.8034       11.55014  294.1672       12.55952  -6.594849      5.079822  
1 1 1 14  15 13 o 22.80754 0.5256442 5.170386       0.2384745 5.995572       0.3515125 4.466716       0.3246006 3.351219       1.051288  
1 1 1 14  15 14 o 87.49194 0.9906013 76.61451       1.733338  77.05066       2.463270  76.18671       2.439522  0.4929504      1.981203  
1 1 1 14  15 15 o 106.5853 1.171255  113.5603       2.493515  117.3943       3.640431  110.1719       3.422386  3.379379       2.342510  
1 1 1 14  15 16 o 78.79127 0.9091438 61.97106       1.430022  64.73678       2.101241  59.58490       1.951738  3.264313       1.818288  
1 1 1 14  15 17 o 88.84105 1.003987  78.76723       1.779571  82.54261       2.629940  75.57867       2.416920  3.910309       2.007974  
1 1 1 14  15 18 o 68.12269 0.8183114 46.39341       1.114105  47.80973       1.613552  45.10296       1.540174  1.983994       1.636623  
1 1 1 14  15 19 o 106.4072 1.172065  113.4103       2.493966  112.3044       3.491637  114.5621       3.563460  -1.056953      2.344129  
1 1 1 14  15 20 o 77.22731 0.9028692 59.62224       1.392956  57.98112       1.915881  61.46260       2.028843  -2.248962      1.805738  
1 1 1 14  15 21 f 41.70559 0.7247260 16.95140       0.5756733 15.99704       0.7039972 18.87742       1.000102  -3.441864      1.449452  
1 1 1 14  15 22 o 43.01404 0.8101900 18.43129       0.6949499 17.38899       0.9398196 19.68879       1.032291  -2.669178      1.620380  
1 1 1 14  15 23 o 23.11721 1.380074  5.352639       0.6380690 5.352639       0.6380690 ?              ?         ?              ?         
1 1 1 14  15 24 f 49.75116 0.7909667 24.88817       0.7796841 20.79581       1.093796  29.11562       1.111702  -8.360470      1.581933  
1 1 1 14  15 25 o 61.62060 0.7823235 37.89840       0.9623528 39.95447       1.414763  36.12780       1.312884  3.099438       1.564647  
1 1 1 14  15 26 o 87.10384 0.9988327 75.64209       1.733374  71.84835       2.331131  80.33366       2.592345  -4.851204      1.997665  
1 1 1 14  15 27 o 64.90240 0.8091034 42.18523       1.050221  42.58831       1.492140  41.78951       1.478428  0.6144638      1.618207  
1 1 1 14  15 28 o 42.27078 0.6668741 17.57304       0.5581520 15.71468       0.7291657 20.20281       0.8674020 -5.300529      1.333748  
1 1 1 14  15 29 f 52.96413 0.7304540 28.06525       0.7731248 27.41335       1.067656  28.78396       1.121023  -1.289993      1.460908  
1 1 1 14  15 30 o 55.40408 0.7495515 30.59116       0.8278299 28.91137       1.116743  32.64016       1.233384  -3.355881      1.499103  
1 1 1 14  15 31 o 20.12395 0.8430249 3.905269       0.3314398 4.799703       0.5449703 3.380232       0.4175358 3.514729       1.686050  
1 1 1 14  15 32 o 58.54883 1.219665  34.42619       1.427563  35.41672       2.056609  33.50517       1.983151  1.621601       2.439329  
1 1 1 14  15 33 o 31.01705 0.6729304 9.581610       0.4155295 10.98028       0.6113519 8.380623       0.5665023 4.186762       1.345861  
1 1 1 14  15 34 f 35.90902 0.6722375 12.90621       0.4825136 13.52924       0.6926810 12.31893       0.6725200 1.683407       1.344475  
1 1 1 14  15 35 o 43.30964 0.6895794 18.56980       0.5932252 20.75303       0.9059938 16.93128       0.7848753 4.400105       1.379159  
1 1 1 14  15 36 o 55.81093 0.7641680 31.19010       0.8523973 32.14497       1.233664  30.31779       1.179129  1.630775       1.528336  
1 1 1 14  15 37 o 59.86151 0.7969062 35.47663       0.9462507 39.55589       1.456657  32.49853       1.244620  5.866810       1.593812  
1 1 1 14  15 38 o 48.35241 0.7259663 23.44276       0.7019587 23.01792       0.9926124 23.86778       0.9928268 -0.8787956     1.451933  
1 1 1 14  15 39 o 36.35235 0.6905793 13.24731       0.5020399 13.46196       0.7105553 13.03335       0.7094294 0.5893898      1.381159  
1 1 1 14  15 40 f 40.26775 0.7122617 16.24401       0.5732411 15.44550       0.7980149 17.09532       0.8239791 -2.044983      1.424523  
1 1 1 14  15 41 o 64.06828 0.8450388 41.06483       1.080422  43.46912       1.593974  39.02140       1.469501  3.449806       1.690078  
1 1 1 14  15 42 o 5.515928 1.516685  0.5332589E-01  0.2664160 -0.2756565     0.3608787 0.4473847      0.3949622 -2.800058      3.033371  
1 1 1 14  15 43 o 21.51340 0.8268855 4.648715       0.3557618 4.676541       0.5014153 4.620507       0.5048486 0.1308727      1.653771  
1 1 1 14  15 44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  15 45 o 56.11490 1.037238  31.71976       1.163880  32.56407       1.654325  30.89229       1.637751  1.485409       2.074476  
1 1 1 14  16 0  o 213.2675 3.188606  456.7899       13.59579  450.2698       18.93097  463.7349       19.53812  -3.125046      6.377212  
1 1 1 14  16 1  o 59.48893 1.136777  35.01406       1.344078  39.09494       2.044801  31.90949       1.783504  6.034328       2.273553  
1 1 1 14  16 2  f 102.0189 1.628672  104.0131       3.318058  100.7735       4.543983  107.7137       4.856476  -3.392517      3.257344  
1 1 1 14  16 3  o 120.4591 1.873378  145.3658       4.513230  145.9207       6.405632  144.8188       6.359955  0.4558029      3.746755  
1 1 1 14  16 4  o 217.0532 3.246875  473.6908       14.08989  466.9035       19.61619  480.9247       20.25122  -3.189301      6.493749  
1 1 1 14  16 5  o 18.35457 1.406038  3.346776       0.5140501 3.076665       0.6904587 3.682685       0.7699779 -1.648514      2.812075  
1 1 1 14  16 6  o 60.23048 1.144935  36.06085       1.372893  33.87098       1.837577  38.82758       2.065470  -4.108910      2.289869  
1 1 1 14  16 7  o 66.03548 1.196830  43.62759       1.580276  44.59316       2.265522  42.71261       2.205386  1.422218       2.393660  
1 1 1 14  16 8  o 90.44811 1.482012  81.53926       2.671759  86.56676       3.983389  77.42796       3.602180  5.038071       2.964024  
1 1 1 14  16 9  o 30.41248 1.096611  9.266389       0.6623681 10.74145       0.9522621 7.883791       0.9219337 4.697281       2.193222  
1 1 1 14  16 10 o 98.73990 1.590479  97.54710       3.136697  94.93321       4.305194  100.5046       4.579414  -2.808525      3.180959  
1 1 1 14  16 11 o 163.8314 2.487994  269.5334       8.143052  262.7519       11.20223  277.1317       11.85773  -4.337021      4.975988  
1 1 1 14  16 12 o 89.52666 1.474279  80.30659       2.639463  79.81578       3.701322  80.81445       3.765022  -0.5546265     2.948559  
1 1 1 14  16 13 o 65.51112 0.7933785 42.82205       1.037246  41.21135       1.411816  44.71110       1.528949  -2.667915      1.586757  
1 1 1 14  16 14 o 35.48634 0.5808107 12.59103       0.4118909 12.44768       0.5698751 12.74783       0.5960068 -0.4223289     1.161621  
1 1 1 14  16 15 o 38.17884 0.5995631 14.58099       0.4577872 14.78136       0.6510137 14.38500       0.6438631 0.5189056      1.199126  
1 1 1 14  16 16 f 76.26157 0.8889295 58.12057       1.354163  56.38480       1.860157  60.07761       1.975166  -2.416557      1.777859  
1 1 1 14  16 17 f 12.41448 0.7017898 1.547539       0.1735951 1.626801       0.2395198 1.459833       0.2519529 0.6728783      1.403580  
1 1 1 14  16 18 o 124.4067 1.349543  154.8626       3.352578  150.1303       4.589381  160.2777       4.909293  -4.057091      2.699085  
1 1 1 14  16 19 o 69.24829 0.8335816 47.99835       1.154343  47.74155       1.618163  48.26444       1.647197  -0.3762741     1.667163  
1 1 1 14  16 20 o 56.11508 0.9525985 31.07176       1.058376  28.46848       1.382743  34.75454       1.644631  -5.587448      1.905197  
1 1 1 14  16 21 o 39.40712 0.6249354 15.53930       0.4923221 15.54757       0.6862612 15.53055       0.7066852 0.2232361E-01  1.249871  
1 1 1 14  16 22 o 49.46366 0.6891539 24.19624       0.6766713 22.21507       0.8927751 26.87089       1.037326  -4.699924      1.378308  
1 1 1 14  16 23 o 60.50043 1.202857  36.69882       1.455109  37.86744       2.074433  35.56688       2.041630  1.898502       2.405715  
1 1 1 14  16 24 o 5.877439 1.187389  0.2908119      0.1867940 0.6590477      0.2525880 -0.1536389     0.2774991 4.166037       2.374779  
1 1 1 14  16 25 o 37.75742 0.7806190 13.78467       0.5781835 11.82663       0.7353533 16.95527       0.9357421 -6.779140      1.561238  
1 1 1 14  16 26 o 41.60935 0.7456753 17.29299       0.6104820 17.57634       0.9567062 17.09836       0.7928885 0.5640259      1.491351  
1 1 1 14  16 27 o 43.78876 0.6733405 19.19737       0.5895106 19.84209       0.8371798 18.56328       0.8302512 1.459774       1.346681  
1 1 1 14  16 28 o 25.15765 0.6622494 6.307775       0.3323955 5.909879       0.4513460 6.779337       0.4913546 -1.725292      1.324499  
1 1 1 14  16 29 o 75.92946 1.160966  57.67711       1.623311  58.42380       2.947530  57.35204       1.944832  0.5844040      2.321932  
1 1 1 14  16 30 o 70.11040 1.311419  49.36612       1.837558  51.05463       2.661224  47.82747       2.540385  2.283379       2.622839  
1 1 1 14  16 31 o 53.45386 0.7446868 28.53032       0.7946576 30.29913       1.167759  27.00478       1.084487  3.073875       1.489374  
1 1 1 14  16 32 o 28.78157 0.6741502 8.314236       0.3872540 8.816953       0.5431435 7.794445       0.5522909 1.777136       1.348300  
1 1 1 14  16 33 o 37.22555 0.6766463 13.88361       0.5037003 14.01614       0.7086683 13.74830       0.7160689 0.3604393      1.353293  
1 1 1 14  16 34 o 7.076721 1.314329  0.4639973      0.2361549 0.9741244      0.3253814 -0.1038090     0.3432841 5.231183       2.628658  
1 1 1 14  16 35 o 30.34610 0.6847301 9.233096       0.4151372 9.730390       0.5874305 8.736943       0.5867552 1.636793       1.369460  
1 1 1 14  16 36 o 20.21713 0.7651067 4.094886       0.3092055 3.923637       0.4305343 4.277308       0.4443586 -0.8729267     1.530213  
1 1 1 14  16 37 f 35.74594 0.6816049 12.80523       0.4871960 12.70877       0.6812251 12.90622       0.6970458 -0.2742844     1.363210  
1 1 1 14  16 38 o 28.10811 0.6965768 7.916878       0.3914799 8.183078       0.5593594 7.661300       0.5480850 0.9267578      1.393154  
1 1 1 14  16 39 f 61.16295 0.8162071 37.54824       0.9983526 37.11220       1.414573  37.98098       1.409210  -0.7110634     1.632414  
1 1 1 14  16 40 o 53.11855 0.7671162 28.30893       0.8148957 28.43013       1.160885  28.19119       1.144170  0.2223282      1.534232  
1 1 1 14  16 41 o 20.73583 0.8174365 4.321197       0.3381643 4.710806       0.4815129 3.942013       0.4750262 1.852598       1.634873  
1 1 1 14  16 42 o 25.50941 1.336660  0.000000       0.000000  ?              ?         6.544245       0.6819482 ?              ?         
1 1 1 14  16 43 o 29.03794 1.104444  8.101465       0.5738589 7.644122       0.6666179 9.410372       1.127742  -2.918524      2.208888  
1 1 1 14  16 44 o 27.61272 0.9032893 7.670209       0.4973791 7.700145       0.6786622 7.635473       0.7310569 0.1287022      1.806579  
1 1 1 14  16 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  17 0  o 96.30753 1.072096  92.38603       2.057794  97.78427       3.069373  87.97868       2.773403  5.083900       2.144193  
1 1 1 14  17 1  o 102.0542 1.127470  104.1996       2.300722  105.7507       3.297385  102.7281       3.211729  1.478722       2.254940  
1 1 1 14  17 2  f 86.81361 1.436232  75.46396       2.493646  75.89094       3.539276  75.04308       3.513956  0.4874954      2.872464  
1 1 1 14  17 3  o 69.47110 1.235476  47.68128       1.702861  53.32328       2.618597  43.54708       2.241545  7.025185       2.470952  
1 1 1 14  17 4  o 41.38363 1.021742  17.12877       0.8450153 16.90536       1.169080  17.37318       1.222793  -0.5638733     2.043485  
1 1 1 14  17 5  o 70.19907 1.242701  49.29686       1.744007  50.70800       2.510623  47.98094       2.424431  1.939598       2.485402  
1 1 1 14  17 6  o 38.88628 1.037568  15.13620       0.8066062 15.20603       1.125996  15.06260       1.156024  0.1852989      2.075136  
1 1 1 14  17 7  o 113.8478 1.791787  129.8152       4.076276  133.3927       5.915728  126.5811       5.624725  2.975937       3.583573  
1 1 1 14  17 8  o 41.71026 1.033946  17.29711       0.8593582 16.05111       1.156579  18.83283       1.284018  -3.330387      2.067892  
1 1 1 14  17 9  o 68.44169 1.233659  46.90582       1.688603  47.45145       2.399915  46.37084       2.376351  0.7884827      2.467317  
1 1 1 14  17 10 o 104.8132 1.671963  109.3125       3.483810  102.9655       4.631117  117.5864       5.287594  -6.937302      3.343926  
1 1 1 14  17 11 o 142.0973 2.182876  202.8877       6.203470  202.0813       8.737444  203.7073       8.809058  -0.5665131     4.365752  
1 1 1 14  17 12 o 91.04509 1.023940  82.89904       1.863002  85.17102       2.701040  80.83738       2.572987  2.374718       2.047881  
1 1 1 14  17 13 o 54.09264 0.7009804 29.12750       0.7557269 27.56682       1.018365  31.04048       1.127461  -3.207500      1.401961  
1 1 1 14  17 14 o 42.54592 0.6250427 18.01067       0.5301226 16.91239       0.7152023 19.34980       0.7897406 -2.862335      1.250085  
1 1 1 14  17 15 o 97.11432 1.084488  94.28647       2.103432  97.57293       3.074617  91.39500       2.883935  3.171082       2.168976  
1 1 1 14  17 16 f 45.94688 0.6515941 21.07033       0.5977554 20.25386       0.8168103 22.01181       0.8771154 -1.911091      1.303188  
1 1 1 14  17 17 o 89.37341 1.014370  79.89442       1.811549  82.37164       2.630197  77.65872       2.498694  2.629662       2.028739  
1 1 1 14  17 18 o 26.32103 0.6364454 6.934616       0.3348778 6.843725       0.4791653 7.021395       0.4682025 -0.3378849     1.272891  
1 1 1 14  17 19 o 11.21141 0.8302099 1.248747       0.1728507 0.6972526      0.2286941 1.983562       0.2639813 -5.735053      1.660420  
1 1 1 14  17 20 o 74.58176 0.8833612 55.67323       1.317265  56.82399       1.891177  54.58882       1.835845  1.495430       1.766722  
1 1 1 14  17 21 f 48.23459 0.6858523 22.28693       0.6442675 19.13750       0.8064198 27.84427       1.071220  -9.012798      1.371705  
1 1 1 14  17 22 o 49.00034 0.6882062 23.91977       0.6728027 25.77526       0.9940872 22.35144       0.9139321 3.489811       1.376412  
1 1 1 14  17 23 f 70.49749 1.293487  49.63921       1.817430  47.19166       2.449685  52.63575       2.710533  -3.835739      2.586974  
1 1 1 14  17 24 o 51.41685 0.7102279 26.41862       0.7293299 25.58620       0.9998999 27.36499       1.066140  -1.725887      1.420456  
1 1 1 14  17 25 o 28.47834 0.6273014 8.135338       0.3565248 8.590449       0.4985842 7.659119       0.5100145 1.635784       1.254603  
1 1 1 14  17 26 o 19.87657 0.7349523 4.038219       0.2860849 4.563901       0.3853357 3.392589       0.4270412 2.949409       1.469905  
1 1 1 14  17 27 o 57.01951 1.406527  0.000000       0.000000  ?              ?         32.60728       1.603989  ?              ?         
1 1 1 14  17 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  17 29 f 43.52174 0.6901438 18.93137       0.5998532 18.26772       0.8217966 19.68819       0.8775903 -1.627399      1.380288  
1 1 1 14  17 30 o 72.38319 0.8848659 52.52658       1.280799  53.25690       1.830676  51.82635       1.792573  0.9839325      1.769732  
1 1 1 14  17 31 o 27.82535 0.6751567 7.759582       0.3745725 8.568809       0.5353243 6.983346       0.5242989 2.847961       1.350313  
1 1 1 14  17 32 f 71.97821 0.8876159 51.96760       1.277772  52.17266       1.806988  51.76250       1.807097  0.2849274      1.775232  
1 1 1 14  17 33 o 45.00729 0.7107092 20.22992       0.6383784 19.28714       0.8687984 21.33624       0.9411414 -2.268917      1.421418  
1 1 1 14  17 34 o 27.32230 0.6967117 7.486556       0.3802020 7.612331       0.5268448 7.349868       0.5492269 0.4826546      1.393423  
1 1 1 14  17 35 o 56.09245 0.7798530 31.47647       0.8737801 33.31192       1.273899  29.84572       1.200765  3.080090       1.559706  
1 1 1 14  17 36 o 61.38078 0.8114499 37.78412       0.9956727 38.27695       1.434046  37.32542       1.383502  0.7678795      1.622900  
1 1 1 14  17 37 o 15.75961 0.9178128 2.488233       0.2878281 2.158568       0.3968492 2.854115       0.4180811 -2.203254      1.835626  
1 1 1 14  17 38 o 7.399434 1.597444  0.5553940      0.2577700 0.5176489      0.3547371 0.5976209      0.3752073 -0.4669485     3.194887  
1 1 1 14  17 39 o 23.96629 0.7656754 5.725489       0.3652246 4.994689       0.4966176 6.586321       0.5389918 -3.314016      1.531351  
1 1 1 14  17 40 o 13.75287 1.328140  1.791298       0.3489820 2.335472       0.6146280 1.532393       0.4239485 2.862775       2.656279  
1 1 1 14  17 41 o 9.574343 2.109243  0.9770175      0.4016377 1.075977       0.4434772 0.5255522      0.9472278 1.044217       4.218487  
1 1 1 14  17 42 o 36.44877 0.8682792 13.33626       0.6318823 13.06592       0.8651645 13.64534       0.9250739 -0.7821922     1.736558  
1 1 1 14  17 43 o 20.25272 0.9945965 4.163161       0.3987910 4.785231       0.5598058 3.522203       0.5682402 3.120213       1.989193  
1 1 1 14  17 44 o 25.54246 1.925444  0.000000       0.000000  ?              ?         6.612168       0.9836115 ?              ?         
1 1 1 14  18 0  o 62.56255 1.174614  38.81112       1.462164  43.00776       2.208374  35.53544       1.951071  5.963608       2.349229  
1 1 1 14  18 1  o 95.52576 1.404056  91.73190       2.630965  93.17410       3.417902  89.63468       4.121618  1.880470       2.808112  
1 1 1 14  18 2  o 24.81435 0.5225892 6.145317       0.2590501 6.550314       0.3760601 5.779599       0.3573593 1.552677       1.045178  
1 1 1 14  18 3  o 80.20932 0.9286320 64.38496       1.489650  64.54154       2.099666  64.22629       2.113771  0.1969223      1.857264  
1 1 1 14  18 4  o 89.52526 1.477188  79.91450       2.635886  84.92343       3.930177  75.81943       3.553613  5.066711       2.954375  
1 1 1 14  18 5  o 41.02697 1.043268  16.84554       0.8553339 17.80136       1.220600  15.92334       1.198941  2.288006       2.086535  
1 1 1 14  18 6  o 151.7166 2.319216  231.0907       7.030682  237.3597       10.21239  225.4423       9.693645  3.886871       4.638432  
1 1 1 14  18 7  o 125.2191 1.949908  157.2271       4.879323  153.7594       6.738904  161.0483       7.074103  -2.887817      3.899816  
1 1 1 14  18 8  o 86.37003 1.443275  74.70930       2.492066  76.43895       3.588554  73.09820       3.463404  1.927338       2.886550  
1 1 1 14  18 9  o 86.26753 1.438534  73.80515       2.462416  68.69247       3.245238  80.74342       3.780484  -6.953705      2.877069  
1 1 1 14  18 10 o 45.33005 1.055381  20.52045       0.9542405 19.86361       1.294779  21.30140       1.411802  -1.580555      2.110761  
1 1 1 14  18 11 o 68.35703 0.8206580 46.61628       1.119179  44.75500       1.519572  48.82289       1.654543  -2.970497      1.641316  
1 1 1 14  18 12 o 65.21420 0.7935283 42.56151       1.034889  42.40553       1.452469  42.72234       1.474896  -0.2420731     1.587057  
1 1 1 14  18 13 o 87.35187 0.9938867 76.40223       1.736286  76.03868       2.442304  76.77374       2.468869  -0.4194794     1.987773  
1 1 1 14  18 14 o 46.99855 0.6573403 22.07276       0.6174673 23.06622       0.8920565 21.15894       0.8555484 2.027878       1.314681  
1 1 1 14  18 15 o 63.95874 1.042521  40.90393       1.332120  42.44349       1.939949  39.53029       1.832447  2.271450       2.085041  
1 1 1 14  18 16 o 110.0716 1.213594  121.1994       2.667768  125.5989       3.902064  117.3381       3.655574  3.736122       2.427189  
1 1 1 14  18 17 o 44.48755 0.6529331 19.80025       0.5806320 19.66525       0.8066973 19.94536       0.8363822 -0.3137131     1.305866  
1 1 1 14  18 18 o 52.22643 0.7052353 27.29832       0.7365962 27.71423       1.045748  26.88878       1.037707  0.7898979      1.410471  
1 1 1 14  18 19 o 99.52809 1.112548  99.28917       2.214414  98.63837       3.108019  99.96016       3.155836  -0.6603394     2.225096  
1 1 1 14  18 20 o 35.08705 0.6204449 12.10749       0.4314178 14.55164       0.6590337 10.27469       0.5706913 6.090942       1.240890  
1 1 1 14  18 21 o 40.81264 0.6394764 16.66964       0.5219242 16.99868       0.7414036 16.34637       0.7348644 0.7988319      1.278953  
1 1 1 14  18 22 o 19.71592 0.6389145 3.831718       0.2461461 5.149895       0.3722744 2.807803       0.3281014 5.937340       1.277829  
1 1 1 14  18 23 o 51.16897 1.150413  26.07542       1.173003  28.96571       1.746527  23.70035       1.583223  5.128880       2.300826  
1 1 1 14  18 24 o 51.44818 0.7983053 26.70046       0.8097999 27.74393       1.071655  25.31153       1.236390  2.376205       1.596611  
1 1 1 14  18 25 o 56.99905 1.194331  32.59037       1.360361  31.85719       1.878012  33.39975       1.973196  -1.341438      2.388661  
1 1 1 14  18 26 o 41.09747 0.9547618 16.69317       0.6594625 16.49224       0.7489410 17.38655       1.391280  -1.025379      1.909524  
1 1 1 14  18 27 o 78.21736 0.9331448 61.21283       1.457682  63.86061       2.132215  58.88944       1.997337  3.163582       1.866290  
1 1 1 14  18 28 o 11.34112 1.225947  1.484997       0.2419134 2.068251       0.3214063 0.7227514      0.3674285 6.049883       2.451894  
1 1 1 14  18 29 o 51.44087 0.9267960 26.54235       0.9534366 26.98731       1.355161  26.10620       1.341666  0.8548050      1.853592  
1 1 1 14  18 30 o 17.07792 0.9048294 2.870922       0.3036712 2.205648       0.4027978 3.746962       0.4622201 -4.505383      1.809659  
1 1 1 14  18 31 o 65.52560 0.8398780 43.03831       1.100423  43.92629       1.576682  42.19495       1.536560  1.316391       1.679756  
1 1 1 14  18 32 o 5.685976 1.504962  0.2280063      0.2324561 0.1350110      0.3126084 0.3430278      0.3476639 -1.142713      3.009923  
1 1 1 14  18 33 f 18.22398 0.8040057 3.317684       0.2919328 3.192178       0.3931786 3.471888       0.4358166 -0.7621059     1.608011  
1 1 1 14  18 34 o 38.65968 0.7006059 14.88068       0.5393917 16.94632       0.7973158 13.13754       0.7324373 4.918205       1.401212  
1 1 1 14  18 35 o 22.04694 0.7695101 4.892030       0.3380535 5.154791       0.4670890 4.602994       0.4898849 1.254499       1.539020  
1 1 1 14  18 36 o 4.675228 1.400495  -0.1659146     0.2482993 -0.4895648     0.3325905 0.2416073      0.3732049 -2.456129      2.800989  
1 1 1 14  18 37 o 31.55467 0.6921045 9.978987       0.4366814 9.761199       0.6097474 10.20830       0.6256822 -0.7062912     1.384209  
1 1 1 14  18 38 o 22.88253 0.8052876 5.262450       0.3669136 4.647035       0.5140210 5.901769       0.5239087 -2.740061      1.610575  
1 1 1 14  18 39 f 21.31962 2.210090  0.000000       0.000000  ?              ?         4.615247       0.9423655 ?              ?         
1 1 1 14  18 40 o 54.38068 0.9297611 29.54952       0.9971801 30.83034       1.558769  28.66222       1.297389  1.938625       1.859522  
1 1 1 14  18 41 o 78.46626 1.292083  62.01928       2.022114  65.75239       2.998669  58.90604       2.738420  4.280235       2.584166  
1 1 1 14  18 42 f 11.69019 1.465589  1.442990       0.3277947 1.644032       0.4410546 1.194921       0.4899319 2.131679       2.931179  
1 1 1 14  18 43 o 11.39515 3.120704  0.000000       0.000000  ?              ?         1.388337       0.7318553 ?              ?         
1 1 1 14  19 0  o 84.07449 0.9581835 70.60041       1.608735  73.31258       2.355035  68.22759       2.202779  3.019165       1.916367  
1 1 1 14  19 1  o 126.3527 1.367388  159.2309       3.442552  152.2737       4.634838  167.7922       5.141494  -6.117233      2.734776  
1 1 1 14  19 2  o 28.58230 0.5410714 8.162505       0.3090748 8.608977       0.4449106 7.746072       0.4296824 1.509226       1.082143  
1 1 1 14  19 3  o 36.84156 0.5946878 13.17215       0.4311299 11.33101       0.5529082 16.02792       0.6886051 -6.371559      1.189376  
1 1 1 14  19 4  o 170.1093 1.808492  290.3887       6.152823  290.7179       8.707564  290.0604       8.695262  0.1924286      3.616984  
1 1 1 14  19 5  o 140.1936 1.505472  196.5104       4.211652  204.8117       6.211567  189.4466       5.729900  5.450531       3.010945  
1 1 1 14  19 6  o 38.29991 0.5869542 14.67573       0.4495575 14.73111       0.6318343 14.61895       0.6397809 0.1466255      1.173908  
1 1 1 14  19 7  o 108.7514 1.196423  118.3581       2.600215  121.4677       3.768589  115.5326       3.592262  2.719360       2.392845  
1 1 1 14  19 8  o 90.33363 1.021656  81.22031       1.837081  76.98192       2.458292  86.58095       2.764659  -5.298912      2.043313  
1 1 1 14  19 9  o 33.01433 0.5713500 10.86546       0.3764089 10.35072       0.5117921 11.47197       0.5555403 -1.696968      1.142700  
1 1 1 14  19 10 o 88.26088 1.001622  77.57288       1.760904  82.66750       2.638353  73.48046       2.364657  5.191277       2.003245  
1 1 1 14  19 11 f 31.82119 0.5644161 10.12411       0.3590558 9.921705       0.4990049 10.34141       0.5170382 -0.6589680     1.128832  
1 1 1 14  19 12 o 105.2105 1.608499  109.9674       3.356765  119.8396       5.160900  102.7286       4.419281  8.069054       3.216998  
1 1 1 14  19 13 o 69.93709 0.8381873 48.90974       1.171397  47.71959       1.616576  50.22551       1.699764  -1.787781      1.676375  
1 1 1 14  19 14 o 22.83705 0.5504150 5.180350       0.2502402 4.550270       0.3393879 5.930971       0.3704326 -3.021990      1.100830  
1 1 1 14  19 15 o 20.42982 0.5608550 4.147305       0.2274369 4.931710       0.3358679 3.483003       0.3090872 3.544689       1.121710  
1 1 1 14  19 16 o 18.94410 0.5649660 3.591363       0.2139794 3.711769       0.3032705 3.471996       0.3019587 0.6327972      1.129932  
1 1 1 14  19 17 o 50.00616 0.6889938 25.02893       0.6890675 25.22095       0.9772347 24.83905       0.9717655 0.3815880      1.377988  
1 1 1 14  19 18 o 103.8598 1.154284  108.1525       2.397665  108.4368       3.396554  107.8701       3.385095  0.2718582      2.308568  
1 1 1 14  19 19 o 85.60780 0.9880700 72.99786       1.684664  78.12067       2.526854  68.89879       2.260315  5.366577       1.976140  
1 1 1 14  19 20 o 50.30281 0.7000474 25.33389       0.7042412 25.55994       0.9934621 25.10557       0.9984513 0.4519196      1.400095  
1 1 1 14  19 21 o 28.78761 0.6037596 8.287717       0.3469868 8.185293       0.4752847 8.404611       0.5077493 -0.3792439     1.207519  
1 1 1 14  19 22 o 62.40293 1.032791  38.93984       1.172337  39.31525       2.173240  38.78576       1.392287  0.3512764      2.065582  
1 1 1 14  19 23 o 56.10558 1.194602  31.60060       1.340307  32.29526       1.910163  30.92691       1.881130  1.215916       2.389205  
1 1 1 14  19 24 o 43.59457 0.6722973 18.83868       0.5831926 21.20438       0.8784140 16.97400       0.7798698 4.844997       1.344595  
1 1 1 14  19 25 o 10.80418 0.9196349 1.165568       0.1940404 1.540289       0.2872421 0.8510338      0.2631653 3.187371       1.839270  
1 1 1 14  19 26 o 25.53026 0.6328025 6.459710       0.3201736 7.828506       0.4776583 5.342951       0.4314475 4.864435       1.265605  
1 1 1 14  19 27 o 31.76665 0.6344985 10.09096       0.4027517 9.772689       0.5552835 10.44424       0.5850343 -1.054625      1.268997  
1 1 1 14  19 28 o 7.060386 1.501374  0.5384618      0.2348517 0.6737853      0.2778789 0.2001418      0.4393723 1.933003       3.002748  
1 1 1 14  19 29 o 18.70703 0.7371589 3.516519       0.2743541 3.611685       0.3724364 3.403605       0.4056825 0.5595016      1.474318  
1 1 1 14  19 30 o 70.24007 1.034524  48.58160       1.366738  46.79967       1.656048  52.38778       2.420323  -3.864548      2.069049  
1 1 1 14  19 31 f 58.92656 1.019267  34.78918       1.198825  33.61541       1.634422  36.15604       1.763744  -2.136292      2.038534  
1 1 1 14  19 32 o 86.14530 1.371312  74.76230       2.360213  73.02209       3.251095  76.70148       3.431931  -2.095352      2.742623  
1 1 1 14  19 33 o 34.24171 0.7009890 11.65144       0.4776905 10.74812       0.6379964 12.80395       0.7206407 -2.991764      1.401978  
1 1 1 14  19 34 f 29.21132 0.7082932 8.564865       0.4131590 9.082859       0.5828577 8.041731       0.5857429 1.782427       1.416586  
1 1 1 14  19 35 o 11.70815 1.254003  1.477030       0.2683616 2.041898       0.3747551 0.8824883      0.3844728 5.098133       2.508006  
1 1 1 14  19 36 o 8.130859 1.527614  0.7044324      0.2652554 0.9594021      0.3592653 0.3988726      0.3932957 2.888335       3.055228  
1 1 1 14  19 37 o 45.27439 2.132906  0.000000       0.000000  ?              ?         20.77647       1.931321  ?              ?         
1 1 1 14  19 38 o 11.78845 1.415234  1.467650       0.3169038 1.648710       0.4199632 1.228209       0.4829479 1.995837       2.830468  
1 1 1 14  19 39 o 14.54802 1.169649  2.177085       0.3322511 2.385269       0.4391429 1.898372       0.5081151 1.691553       2.339297  
1 1 1 14  19 40 o 50.59300 0.9596596 25.76097       0.9706464 25.71947       1.353070  25.80497       1.393213  -0.7492828E-01 1.919319  
1 1 1 14  19 41 o 16.90692 1.059650  2.902516       0.3547822 3.075652       0.4787886 2.691689       0.5283385 1.148256       2.119300  
1 1 1 14  19 42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  20 0  f 49.65685 0.7760140 24.67765       0.7475764 24.67057       1.215022  24.68196       0.9483275 -0.2038574E-01 1.552028  
1 1 1 14  20 1  o 110.6399 1.216504  122.3502       2.686568  118.3327       3.664104  127.0211       3.950841  -3.911003      2.433007  
1 1 1 14  20 2  o 43.36460 0.6293828 18.75389       0.5448009 17.87496       0.7427011 19.77775       0.8015949 -2.192276      1.258766  
1 1 1 14  20 3  o 35.23841 0.5812107 12.37116       0.4087137 13.23863       0.6027809 11.63296       0.5560588 2.277069       1.162421  
1 1 1 14  20 4  o 111.6595 1.224875  124.5914       2.729717  129.8365       4.019338  120.1011       3.718944  4.342529       2.449751  
1 1 1 14  20 5  o 83.48367 0.9590153 69.65772       1.599289  72.17486       2.332933  67.42600       2.196683  2.838058       1.918031  
1 1 1 14  20 6  o 141.7360 1.523522  200.7961       4.305978  210.6398       6.391736  192.6163       5.826574  6.316620       3.047044  
1 1 1 14  20 7  o 12.84519 0.6575360 1.696032       0.1595788 1.044632       0.2217792 2.395346       0.2297910 -5.257416      1.315072  
1 1 1 14  20 8  o 59.95058 0.9852269 35.98820       1.181177  35.76204       1.656564  36.22210       1.684662  -0.3822670     1.970454  
1 1 1 14  20 9  o 106.7869 1.179742  114.2334       2.518993  115.9908       3.611709  112.5689       3.515045  1.596146       2.359484  
1 1 1 14  20 10 o 43.81130 0.6475820 19.18931       0.5670978 18.71800       0.7857763 19.70165       0.8192665 -1.121418      1.295164  
1 1 1 14  20 11 o 143.7298 1.545272  206.7987       4.432198  215.4478       6.534431  199.4289       6.031840  5.529266       3.090543  
1 1 1 14  20 12 f 50.20140 0.6861525 25.16651       0.6879785 24.20817       0.9433145 26.25548       1.005563  -2.036598      1.372305  
1 1 1 14  20 13 o 36.29722 0.5974699 13.17426       0.4335587 13.68653       0.6217657 12.68946       0.6048725 1.372845       1.194940  
1 1 1 14  20 14 o 53.89210 0.7113492 29.07067       0.7666982 29.38785       1.088237  28.75808       1.080356  0.5839081      1.422698  
1 1 1 14  20 15 o 41.13913 0.6262794 16.83835       0.5137807 18.44378       0.7612568 15.49530       0.6962752 3.580696       1.252559  
1 1 1 14  20 16 o 44.57861 0.6535286 19.85735       0.5821823 20.73480       0.8442666 19.06185       0.8038776 1.874538       1.307057  
1 1 1 14  20 17 o 71.16273 0.8583847 50.68068       1.221153  52.15062       1.759341  49.31415       1.696323  1.988792       1.716769  
1 1 1 14  20 18 o 34.97843 0.6183942 12.19015       0.4314183 13.51597       0.6327339 11.03829       0.5897651 3.539539       1.236788  
1 1 1 14  20 19 f 59.80461 1.009489  35.57637       1.091871  36.50851       2.052050  35.20824       1.289577  1.021938       2.018977  
1 1 1 14  20 20 o 55.22195 1.176427  30.58804       1.298595  30.09118       1.801765  31.12514       1.873304  -0.9283447     2.352854  
1 1 1 14  20 21 f 22.45926 1.236875  5.673001       0.3760010 5.928786       0.4088205 4.269054       0.9577900 3.754997       2.473750  
1 1 1 14  20 22 o 102.7906 1.153043  105.8735       2.366860  102.6006       3.241686  109.6104       3.463838  -3.382820      2.306086  
1 1 1 14  20 23 f 49.18775 0.7864371 24.41629       0.7614607 25.32789       1.003141  23.17690       1.169676  2.200741       1.572874  
1 1 1 14  20 24 f 53.50919 0.7355217 28.64377       0.7865912 29.84220       1.138045  27.54756       1.088429  2.139908       1.471043  
1 1 1 14  20 25 o 49.18474 0.7166795 24.18353       0.7042226 25.41389       1.025114  23.08399       0.9690885 2.363537       1.433359  
1 1 1 14  20 26 o 69.34665 0.8613018 48.22120       1.194505  48.10214       1.679796  48.34298       1.698937  -0.1714783     1.722604  
1 1 1 14  20 27 o 28.58844 0.6410396 8.021811       0.3627791 6.980499       0.4744727 9.487296       0.5628741 -4.376577      1.282079  
1 1 1 14  20 28 o 54.81848 0.7600116 30.11862       0.8331775 30.02374       1.169606  30.21638       1.187172  -0.1738243     1.520023  
1 1 1 14  20 29 o 21.68485 0.6752157 4.711405       0.2928251 4.756657       0.4136730 4.665958       0.4145629 0.2092152      1.350431  
1 1 1 14  20 30 o 26.57267 0.6621779 7.051024       0.3511508 6.443732       0.4825194 7.734776       0.5119949 -2.426266      1.324356  
1 1 1 14  20 31 o 39.26443 0.6938268 15.41956       0.5438702 14.93426       0.7428826 15.98014       0.7984132 -1.325275      1.387654  
1 1 1 14  20 32 o 6.342528 1.417536  0.3015504      0.2239156 0.1501167E-01  0.2927134 0.7057518      0.3476562 -3.715448      2.835073  
1 1 1 14  20 33 o 36.24585 0.8187686 13.17887       0.5929670 13.98495       0.8467081 12.40301       0.8306853 2.179886       1.637537  
1 1 1 14  20 34 o 60.50381 1.051724  36.71524       1.270508  38.76995       1.864259  34.93328       1.736117  3.144772       2.103448  
1 1 1 14  20 35 o 38.50608 2.825064  0.000000       0.000000  ?              ?         15.16175       2.175643  ?              ?         
1 1 1 14  20 36 o 25.04692 0.8372269 6.183480       0.4152614 5.457452       0.5431360 7.205048       0.6442660 -3.469961      1.674454  
1 1 1 14  20 37 o 21.91246 0.8738031 4.806955       0.3813250 4.645957       0.5126864 5.006299       0.5704817 -0.8110981     1.747606  
1 1 1 14  20 38 o 5.541770 1.614914  0.9151295E-01  0.2854695 0.4567952E-01  0.3708051 0.1582068      0.4472986 -0.8354454     3.229827  
1 1 1 14  20 39 o 23.19374 0.8825638 5.418181       0.4073311 5.502541       0.5515534 5.316971       0.6041377 0.4117241      1.765128  
1 1 1 14  20 40 o 13.46066 1.186116  1.829152       0.3173953 1.826152       0.4260510 1.832894       0.4757855 -0.1064205E-01 2.372231  
1 1 1 14  21 0  o 170.3085 2.351579  288.1875       7.711872  277.7396       9.599997  307.1971       12.94922  -8.264633      4.703157  
1 1 1 14  21 1  o 99.78441 1.533426  99.48442       3.050087  104.7953       4.541543  95.12081       4.116640  4.815247       3.066852  
1 1 1 14  21 2  o 121.2959 1.837491  147.7693       4.455864  145.4134       6.198282  150.2891       6.410144  -1.990036      3.674982  
1 1 1 14  21 3  o 89.41378 1.288601  78.68508       2.220704  85.49957       3.736344  74.96298       2.761366  5.826996       2.577202  
1 1 1 14  21 4  o 67.49758 0.8194746 45.55937       1.105473  44.44735       1.528890  46.77771       1.600304  -1.723145      1.638949  
1 1 1 14  21 5  o 24.68071 0.5563500 6.095543       0.2745637 5.991003       0.3899077 6.198368       0.3866957 -0.4201908     1.112700  
1 1 1 14  21 6  o 108.6898 1.199201  118.2679       2.604561  115.4716       3.594418  121.3592       3.779346  -2.696312      2.398402  
1 1 1 14  21 7  o 80.60451 0.9338261 64.99164       1.504191  63.45549       2.077339  66.68483       2.180936  -1.997810      1.867652  
1 1 1 14  21 8  o 181.1502 1.926442  330.1321       6.979375  328.9921       9.834002  331.2890       9.907057  -0.6258698     3.852884  
1 1 1 14  21 9  o 23.04743 0.5575091 5.314922       0.2569624 5.395360       0.3635369 5.234605       0.3632627 0.3487396      1.115018  
1 1 1 14  21 10 o 68.62164 0.8379756 46.85258       1.145438  50.42764       1.716596  43.98316       1.537886  4.685898       1.675951  
1 1 1 14  21 11 o 99.02641 1.108721  98.24809       2.195049  100.0984       3.156607  96.51568       3.054450  1.801094       2.217441  
1 1 1 14  21 12 f 55.82489 0.7309220 30.76433       0.8094890 34.68285       1.245216  27.89633       1.065305  6.069168       1.461844  
1 1 1 14  21 13 o 35.74037 0.6023844 12.75628       0.4298723 12.34779       0.5878652 13.22573       0.6302031 -1.226418      1.204769  
1 1 1 14  21 14 f 22.95677 0.5732585 5.138773       0.2593111 4.124917       0.3392473 6.563623       0.4021727 -5.308815      1.146517  
1 1 1 14  21 15 o 45.70871 0.6706227 20.75876       0.6099218 19.46366       0.8139329 22.41731       0.9210921 -3.225121      1.341245  
1 1 1 14  21 16 o 29.14400 0.9535167 8.886098       0.4487119 7.880571       0.9599506 9.167221       0.5075760 -2.241423      1.907033  
1 1 1 14  21 17 o 29.31635 1.239171  8.681469       0.7218498 9.564075       1.004561  7.739205       1.037957  3.116041       2.478341  
1 1 1 14  21 18 o 87.22976 1.282558  74.87768       2.015675  72.93427       2.366313  80.01664       3.847938  -3.879852      2.565117  
1 1 1 14  21 19 o 77.40607 0.9199389 59.89854       1.421157  57.65939       1.935177  62.51986       2.093823  -3.124535      1.839878  
1 1 1 14  21 20 o 27.04504 0.6059115 7.326685       0.3275101 7.611602       0.4619262 7.038681       0.4644225 1.059357       1.211823  
1 1 1 14  21 21 o 22.10833 0.6158956 4.854919       0.2711192 4.298454       0.3665335 5.527215       0.4028794 -2.776491      1.231791  
1 1 1 14  21 22 o 38.81359 0.9471331 13.74197       0.5949261 17.51358       1.383495  12.88632       0.6589637 5.882122       1.894266  
1 1 1 14  21 23 o 10.86202 0.9336166 1.190556       0.1873467 1.758275       0.2823486 0.7439987      0.2504132 4.769649       1.867233  
1 1 1 14  21 24 o 17.90288 0.6725267 3.168607       0.2379356 2.548832       0.3187699 3.948314       0.3575411 -3.905147      1.345053  
1 1 1 14  21 25 o 10.04011 1.044545  1.080735       0.1913085 0.6521401      0.2740670 1.488021       0.2671672 -4.288601      2.089091  
1 1 1 14  21 26 o 34.21295 0.6516897 11.42116       0.4401049 9.673394       0.5712515 13.97349       0.6903238 -6.273485      1.303379  
1 1 1 14  21 27 o 73.47203 0.9029626 54.16197       1.326831  54.56939       1.880737  53.75827       1.872136  0.5508652      1.805925  
1 1 1 14  21 28 o 33.68728 0.6596299 11.28434       0.4427055 10.36793       0.5954742 12.41678       0.6619486 -3.034401      1.319260  
1 1 1 14  21 29 o 11.35829 0.9894109 1.318661       0.2193559 0.9958052      0.3117405 1.635278       0.3087138 -2.815488      1.978822  
1 1 1 14  21 30 f 8.337899 1.233607  0.7465072      0.2068976 0.3564131      0.2961649 1.118356       0.2891557 -4.425513      2.467214  
1 1 1 14  21 31 o 76.90722 0.9409581 59.38397       1.446858  60.34657       2.078451  58.47895       2.015340  1.203705       1.881916  
1 1 1 14  21 32 o 32.46949 0.8378099 10.34289       0.5113493 11.27357       0.9087648 9.911695       0.6185646 2.052637       1.675620  
1 1 1 14  21 33 o 95.64143 2.294538  94.30889       4.375176  96.21516       5.994052  92.13510       6.400826  2.317322       4.589076  
1 1 1 14  21 34 o 5.515670 1.554675  0.1457519      0.2638377 0.2740311      0.3506675 -0.2160194E-01 0.4005301 0.8371091      3.109349  
1 1 1 14  21 35 f 20.80461 0.8837451 4.400738       0.3633579 4.939050       0.4997956 3.797234       0.5291950 2.749884       1.767490  
1 1 1 14  21 36 o 27.91385 0.8138903 7.811789       0.4530006 7.668768       0.6146650 7.981827       0.6702123 -0.5506458     1.627781  
1 1 1 14  21 37 o 7.438313 1.689692  0.5526593      0.2840075 0.5827565      0.3740323 0.5116795      0.4364472 0.2016954      3.379384  
1 1 1 14  21 38 o 55.68305 1.004932  31.22967       1.118924  31.31992       1.567928  31.13601       1.597276  0.1725273      2.009863  
1 1 1 14  21 39 o 31.71739 0.8295068 10.10491       0.5254554 10.04027       0.7231046 10.17724       0.7648649 -0.2073059     1.659014  
1 1 1 14  22 0  o 93.65967 1.057575  87.80938       1.979832  89.65450       2.860584  86.11293       2.742930  1.883774       2.115149  
1 1 1 14  22 1  o 62.40167 0.7807409 38.91252       0.9732037 37.73718       1.336903  40.23746       1.419437  -1.999767      1.561482  
1 1 1 14  22 2  o 73.87790 0.8811958 54.40211       1.298099  57.74079       1.929244  51.64015       1.754721  4.120094       1.762392  
1 1 1 14  22 3  o 107.1345 1.433973  114.5446       2.898125  113.3088       3.542329  117.0463       5.040062  -1.620056      2.867945  
1 1 1 14  22 4  o 104.0224 1.592495  108.6356       3.312134  107.0125       4.617003  110.3565       4.754137  -1.594070      3.184990  
1 1 1 14  22 5  o 145.7888 2.197465  213.9861       6.397336  207.5358       8.758741  221.3621       9.366172  -4.656891      4.394930  
1 1 1 14  22 6  o 29.29614 0.6612217 8.459149       0.3844379 7.338292       0.5095887 9.939687       0.5856713 -4.436453      1.322443  
1 1 1 14  22 7  o 116.2110 1.531684  136.7543       3.428182  131.5648       5.612852  139.8420       4.329578  -3.696594      3.063367  
1 1 1 14  22 8  o 49.73766 0.6888757 24.73240       0.6847351 24.04584       0.9459801 25.48800       0.9924108 -1.447525      1.377751  
1 1 1 14  22 9  o 71.16685 0.8595499 50.71859       1.223271  50.55441       1.714969  50.88865       1.745363  -0.2330017     1.719100  
1 1 1 14  22 10 f 89.04263 1.018187  79.40508       1.812520  81.14819       2.608666  77.77818       2.520202  1.885841       2.036374  
1 1 1 14  22 11 o 60.21334 0.7724608 35.89035       0.9237930 39.83223       1.411834  32.93919       1.221598  5.712467       1.544922  
1 1 1 14  22 12 o 44.36869 0.6560670 19.68631       0.5818233 19.17724       0.8058269 20.24072       0.8409408 -1.196575      1.312134  
1 1 1 14  22 13 f 78.26134 1.173526  61.75837       1.709066  60.60265       3.020713  62.30251       2.072715  -1.178299      2.347052  
1 1 1 14  22 14 o 57.44425 1.208183  33.12944       1.387233  33.45130       1.934223  32.78852       1.990682  0.5829277      2.416366  
1 1 1 14  22 15 o 85.35992 1.265174  71.92229       1.948955  70.32549       2.292397  76.08615       3.701803  -3.208893      2.530347  
1 1 1 14  22 16 o 78.40474 0.9307386 61.62508       1.459413  61.56164       2.053188  61.68985       2.074826  -0.7972717E-01 1.861477  
1 1 1 14  22 17 o 71.17564 0.8693509 50.74084       1.236871  49.84699       1.715928  51.70755       1.784484  -1.300781      1.738702  
1 1 1 14  22 18 f 37.07618 0.6295255 13.47276       0.4615148 11.84139       0.6003895 15.82898       0.7215468 -5.369396      1.259051  
1 1 1 14  22 19 o 11.36140 0.8149090 1.315191       0.1799518 0.9544486      0.2531187 1.683860       0.2558845 -3.209795      1.629818  
1 1 1 14  22 20 o 33.18503 0.6212192 10.98080       0.4113287 10.36953       0.5587189 11.70414       0.6077873 -2.007240      1.242438  
1 1 1 14  22 21 o 37.53271 0.6463620 14.02960       0.4832292 13.28906       0.6489428 14.95130       0.7239763 -2.208317      1.292724  
1 1 1 14  22 22 o 14.52028 1.919626  2.323306       0.3773229 2.381990       0.4075903 1.971624       0.9977894 1.776554       3.839253  
1 1 1 14  22 23 o 45.31248 0.6931885 20.37088       0.6236026 19.02774       0.8238674 22.17275       0.9542412 -3.458069      1.386377  
1 1 1 14  22 24 o 43.32369 0.6819573 18.73372       0.5896541 17.73759       0.8027018 19.90130       0.8690364 -2.490826      1.363915  
1 1 1 14  22 25 o 67.20142 0.8489425 44.75231       1.131832  41.25429       1.489994  49.52434       1.740302  -6.122169      1.697885  
1 1 1 14  22 26 o 40.22272 0.6732700 16.19784       0.5410798 15.96093       0.7464928 16.46007       0.7853931 -0.6165771     1.346540  
1 1 1 14  22 27 o 18.59563 0.7131625 3.431790       0.2611478 2.665645       0.3518903 4.371047       0.3896228 -4.581177      1.426325  
1 1 1 14  22 28 o 42.48634 0.6923122 18.09497       0.5882126 18.20125       0.8272843 17.98632       0.8365090 0.2540550      1.384624  
1 1 1 14  22 29 o 16.86330 0.7860363 2.876923       0.2556266 1.955403       0.3510244 3.917416       0.3729964 -5.814464      1.572073  
1 1 1 14  22 30 o 26.86978 1.566389  7.150929       0.5025592 7.512692       1.610704  7.111912       0.5289661 0.4703636      3.132777  
1 1 1 14  22 31 o 98.11691 2.173450  97.51524       4.265044  97.51524       4.265044  ?              ?         ?              ?         
1 1 1 14  22 32 o 83.60593 1.337576  70.60690       2.236571  70.92715       3.169410  70.28924       3.156608  0.3780823      2.675153  
1 1 1 14  22 33 o 44.88121 0.8635229 20.21903       0.7747737 20.88985       1.115655  19.59415       1.076770  1.436081       1.727046  
1 1 1 14  22 34 o 38.11809 1.043253  14.77296       0.7341168 15.01377       0.8863682 14.24693       1.310015  1.100945       2.086506  
1 1 1 14  22 35 o 63.34792 1.084716  40.43850       1.374200  40.57845       1.934342  40.29590       1.952610  0.2275772      2.169432  
1 1 1 14  22 36 o 25.51823 0.8295540 6.568229       0.4215159 7.189576       0.5915390 5.927285       0.6007958 2.475216       1.659108  
1 1 1 14  22 37 o 17.37409 0.9704112 3.042960       0.3346257 3.078008       0.4479415 2.998703       0.5033551 0.2413387      1.940822  
1 1 1 14  22 38 o 39.95321 1.253756  0.000000       0.000000  ?              ?         16.05377       1.001831  ?              ?         
1 1 1 14  23 0  o 91.02123 1.035876  82.98428       1.885073  84.44395       2.709751  81.61540       2.624104  1.547607       2.071753  
1 1 1 14  23 1  o 47.08780 0.6749118 22.00603       0.6325110 20.35063       0.8450836 24.11453       0.9537541 -3.991543      1.349824  
1 1 1 14  23 2  o 149.2092 1.603887  223.7469       4.785825  222.0888       6.712308  225.4613       6.825467  -1.117355      3.207774  
1 1 1 14  23 3  o 17.50967 0.6166466 3.023628       0.2132961 3.783585       0.3217280 2.427657       0.2849092 3.870360       1.233293  
1 1 1 14  23 4  o 64.91446 0.8065630 42.19273       1.047106  42.13064       1.473436  42.25609       1.488339  -0.9577942E-01 1.613126  
1 1 1 14  23 5  f 69.15025 0.8425292 47.29723       1.155837  52.49652       1.777597  43.48886       1.521354  6.497566       1.685058  
1 1 1 14  23 6  o 25.21174 0.5803228 6.355299       0.2923905 6.228523       0.4040992 6.494598       0.4235945 -0.5268326     1.160646  
1 1 1 14  23 7  o 38.23838 0.7381123 14.47025       0.5607304 16.14103       0.8554032 13.21137       0.7425109 3.824196       1.476225  
1 1 1 14  23 8  o 27.77133 0.6526341 7.680843       0.3615415 7.034476       0.4923057 8.437549       0.5326703 -2.523960      1.305268  
1 1 1 14  23 9  o 70.39783 1.600088  0.000000       0.000000  ?              ?         49.70958       2.252854  ?              ?         
1 1 1 14  23 10 o 31.20499 1.810319  0.000000       0.000000  ?              ?         9.776778       1.129820  ?              ?         
1 1 1 14  23 11 o 68.78124 1.312347  47.41309       1.801870  45.90871       2.459262  49.15673       2.647607  -2.338593      2.624694  
1 1 1 14  23 12 o 130.3186 1.421056  170.6181       3.701088  167.0696       5.118018  174.5080       5.358518  -2.820831      2.842113  
1 1 1 14  23 13 o 75.03243 0.8996766 56.39127       1.349496  57.70628       1.944302  55.16891       1.874561  1.684433       1.799353  
1 1 1 14  23 14 o 67.92416 0.8395447 46.17765       1.139410  45.04091       1.570464  47.44105       1.655648  -1.759293      1.679089  
1 1 1 14  23 15 o 41.00361 0.6466118 16.70319       0.5277504 15.54284       0.7055421 18.17708       0.7951749 -3.206024      1.293224  
1 1 1 14  23 16 o 62.59547 0.8039536 39.22599       1.005971  40.40754       1.450989  38.13242       1.395925  1.812382       1.607907  
1 1 1 14  23 17 o 37.78626 0.6394695 14.11961       0.4797765 12.86281       0.6336886 15.80770       0.7344126 -3.889244      1.278939  
1 1 1 14  23 18 f 33.90958 0.6180643 11.51309       0.4191230 11.46682       0.5880202 11.56087       0.5975534 -0.1379585     1.236129  
1 1 1 14  23 19 o 61.93513 0.8012064 38.37211       0.9909372 37.13594       1.356793  39.78535       1.450710  -2.129169      1.602413  
1 1 1 14  23 20 o 55.86220 0.7593979 31.23251       0.8475037 30.43827       1.166249  32.12126       1.233695  -1.499508      1.518796  
1 1 1 14  23 21 o 36.59986 1.052931  12.78139       0.7122872 15.21162       1.330016  11.80406       0.8434379 4.585522       2.105862  
1 1 1 14  23 22 o 11.60213 0.8073220 1.351636       0.1848664 1.651749       0.2676485 1.077837       0.2556455 2.471954       1.614644  
1 1 1 14  23 23 f 30.98066 0.6354102 9.539917       0.3917344 10.99032       0.5808288 8.329662       0.5305686 4.289410       1.270820  
1 1 1 14  23 24 o 21.75008 0.6605325 4.649310       0.2830377 3.657135       0.3750786 5.961488       0.4313450 -5.291824      1.321065  
1 1 1 14  23 25 o 24.03579 0.6464857 5.772888       0.3100019 6.379657       0.4501748 5.225654       0.4275199 2.398214       1.292971  
1 1 1 14  23 26 o 44.41451 0.6977854 19.67841       0.6180689 18.54580       0.8363276 21.04143       0.9174581 -2.799595      1.395571  
1 1 1 14  23 27 o 39.81145 0.6786110 15.87638       0.5401180 15.55883       0.7511064 16.21641       0.7772486 -0.8227386     1.357222  
1 1 1 14  23 28 o 33.45625 2.046279  0.000000       0.000000  ?              ?         11.31227       1.369217  ?              ?         
1 1 1 14  23 29 o 19.06070 0.7507411 3.644165       0.2861928 3.647841       0.4050659 3.640501       0.4044103 0.1915932E-01  1.501482  
1 1 1 14  23 30 o 22.05858 0.7513868 4.853904       0.3303153 5.462543       0.4863295 4.332686       0.4500500 2.555607       1.502774  
1 1 1 14  23 31 o 16.44020 0.8503096 2.692652       0.2783681 3.054820       0.4142239 2.394393       0.3759038 2.001636       1.700619  
1 1 1 14  23 32 o 28.86565 0.7527034 8.352071       0.4342595 8.770227       0.6256191 7.963267       0.6032624 1.394051       1.505407  
1 1 1 14  23 33 f 18.95466 0.7959893 3.606349       0.3016938 3.653099       0.4319232 3.561810       0.4215836 0.2389526      1.591979  
1 1 1 14  23 34 o 19.43644 0.8075028 3.796128       0.3136642 3.746625       0.4506811 3.842632       0.4368200 -0.2496605     1.615006  
1 1 1 14  23 35 o 34.12473 1.041131  12.24235       0.6599044 13.30947       0.8180321 10.25391       1.116656  4.552074       2.082263  
1 1 1 14  23 36 o 34.38953 0.8223243 11.86310       0.5647515 11.54945       0.7740762 12.22005       0.8257880 -0.9644928     1.644649  
1 1 1 14  24 0  o 27.51458 1.043739  7.289390       0.5111517 8.248531       1.008333  6.957670       0.5929912 2.311827       2.087478  
1 1 1 14  24 1  o 64.37009 0.8092780 41.47445       1.041457  40.72598       1.448382  42.27571       1.498585  -1.200481      1.618556  
1 1 1 14  24 2  o 77.59079 0.9196728 59.96041       1.421168  64.16309       2.131969  56.59950       1.906542  4.856956       1.839346  
1 1 1 14  24 3  f 86.15694 0.9948604 74.40098       1.714213  74.09609       2.411515  74.71240       2.437214  -0.3555298     1.989721  
1 1 1 14  24 4  o 45.99834 0.6756465 20.67138       0.6135002 24.58621       0.9666600 18.03098       0.7938754 7.115547       1.351293  
1 1 1 14  24 5  o 59.97276 1.022979  35.39402       1.092810  37.52689       2.121924  34.62410       1.274883  2.346172       2.045957  
1 1 1 14  24 6  o 18.59635 1.672281  3.525085       0.6125644 4.162372       0.8581426 2.862988       0.8746881 3.496105       3.344562  
1 1 1 14  24 7  o 79.03743 1.415150  62.70186       2.234834  65.01374       3.249169  60.62611       3.078775  2.753075       2.830300  
1 1 1 14  24 8  o 68.63588 0.8424559 47.11239       1.154787  45.63369       1.582596  48.79622       1.688805  -2.295067      1.684912  
1 1 1 14  24 9  o 38.41311 0.6352529 14.63367       0.4856726 13.30225       0.6496457 16.32066       0.7312654 -3.923573      1.270506  
1 1 1 14  24 10 o 22.48356 0.6192856 5.076664       0.2775984 5.375085       0.3857157 4.756002       0.3998316 1.377653       1.238571  
1 1 1 14  24 11 o 40.04678 0.7608387 15.93306       0.6066467 14.67675       0.8124231 17.51638       0.9120495 -3.537384      1.521677  
1 1 1 14  24 12 o 46.19966 0.8282616 21.28482       0.7629856 22.71270       1.134377  20.10521       1.031057  2.812695       1.656523  
1 1 1 14  24 13 o 16.52472 0.6617190 2.741074       0.2180849 2.526253       0.3102354 2.950935       0.3066334 -1.285261      1.323438  
1 1 1 14  24 14 o 11.16057 0.8153725 1.292148       0.1727149 0.8290460      0.2445933 1.752702       0.2439194 -4.138090      1.630745  
1 1 1 14  24 15 o 47.05192 0.6979569 22.09635       0.6556060 23.64222       0.9622688 20.75712       0.8956458 3.060165       1.395914  
1 1 1 14  24 16 o 19.02529 0.6090983 3.624219       0.2317426 3.696387       0.3291471 3.553277       0.3263381 0.3758831      1.218197  
1 1 1 14  24 17 o 55.21551 0.7477567 30.42575       0.8238968 32.48965       1.215856  28.67341       1.120329  3.446262       1.495513  
1 1 1 14  24 18 f 33.41774 0.6277204 10.99662       0.4159995 9.598935       0.5484008 12.89090       0.6384342 -4.917793      1.255441  
1 1 1 14  24 19 o 24.58702 0.6125235 6.052794       0.3011369 6.234177       0.4290298 5.876655       0.4227825 0.7265263      1.225047  
1 1 1 14  24 20 o 31.96636 1.068355  10.96317       0.5500256 9.091389       1.157988  11.50849       0.6250331 -3.856699      2.136710  
1 1 1 14  24 21 o 51.40668 0.8152217 26.60929       0.8257981 27.17556       1.085464  25.83119       1.272394  1.329792       1.630443  
1 1 1 14  24 22 f 24.32704 0.6356921 5.889673       0.3068371 7.027977       0.4526787 4.922162       0.4173388 4.324715       1.271384  
1 1 1 14  24 23 f 38.93649 0.6699903 15.19714       0.5215306 15.38771       0.7301138 14.99859       0.7452297 0.5013733      1.339981  
1 1 1 14  24 24 o 42.93151 0.6940452 18.36371       0.5940387 20.40827       0.8780701 16.63818       0.8066605 4.382137       1.388090  
1 1 1 14  24 25 o 35.74183 1.397002  12.87590       0.9968117 12.53570       1.362245  13.26802       1.462497  -0.9997406     2.794003  
1 1 1 14  24 26 o 28.45974 1.218002  7.838045       0.5176699 7.682051       0.5648751 8.656091       1.293563  -1.559788      2.436004  
1 1 1 14  24 27 f 27.43874 0.6998504 7.476469       0.3820735 8.295487       0.5770982 6.837319       0.5098045 2.648132       1.399701  
1 1 1 14  24 28 o 27.76416 0.7305445 7.716764       0.4052565 8.170116       0.5875283 7.305310       0.5597208 1.553364       1.461089  
1 1 1 14  24 29 o 31.47100 0.7552963 9.842790       0.4730498 11.22003       0.7082143 8.733345       0.6356414 3.939241       1.510593  
1 1 1 14  24 30 o 20.08438 0.7694670 4.053911       0.3083406 3.717195       0.4347696 4.394651       0.4373609 -1.686081      1.538934  
1 1 1 14  24 31 o 29.84498 0.7517884 8.937068       0.4486267 9.227012       0.6391604 8.655509       0.6298501 0.9558926      1.503577  
1 1 1 14  24 32 f 11.73633 1.043673  1.375482       0.2403139 1.786714       0.3579762 1.038120       0.3242340 3.181055       2.087347  
1 1 1 14  24 33 o 29.18268 0.7627023 8.551684       0.4451442 8.548660       0.6315676 8.554669       0.6275099 -0.1107597E-01 1.525405  
1 1 1 14  24 34 o 39.90430 0.8277047 15.83968       0.6571664 17.69759       0.9918565 14.38587       0.8773834 4.126446       1.655409  
1 1 1 14  24 35 o 28.96253 1.804586  0.000000       0.000000  ?              ?         8.488413       1.045307  ?              ?         
1 1 1 14  25 0  o 63.23825 0.8041698 40.01218       1.016247  38.92802       1.402905  41.20919       1.474120  -1.798180      1.608340  
1 1 1 14  25 1  o 34.36725 0.9975888 11.11896       0.6214818 13.57126       1.207264  10.23478       0.7249129 4.807447       1.995178  
1 1 1 14  25 2  o 9.980764 2.107991  0.8975496      0.5485665 1.777151       0.7329781 -0.2224624     0.8271024 6.040887       4.215983  
1 1 1 14  25 3  o 36.64078 0.9611332 13.93789       0.5900606 14.36390       0.6767117 12.58660       1.205214  2.474289       1.922266  
1 1 1 14  25 4  o 65.40307 0.8233231 42.86015       1.076949  42.99581       1.526578  42.72574       1.519519  0.2058563      1.646646  
1 1 1 14  25 5  o 16.79937 0.6621408 2.818387       0.2191245 2.199131       0.2995791 3.530883       0.3213420 -3.962206      1.324282  
1 1 1 14  25 6  o 76.22876 0.9115941 58.25087       1.389776  58.63647       1.970631  57.86928       1.960290  0.5022202      1.823188  
1 1 1 14  25 7  o 79.41226 0.9411039 63.06764       1.491791  60.74239       2.034295  65.77279       2.194191  -3.151131      1.882208  
1 1 1 14  25 8  o 29.77769 0.6063192 8.843431       0.3603903 8.198298       0.4930947 9.583232       0.5280352 -2.323120      1.212638  
1 1 1 14  25 9  o 31.71901 0.6116758 10.00553       0.3866472 8.999124       0.5240875 11.20751       0.5727506 -3.477783      1.223352  
1 1 1 14  25 10 o 19.27443 0.6273761 3.640024       0.2375682 4.771070       0.3638121 2.799216       0.3136791 5.111553       1.254752  
1 1 1 14  25 11 f 27.17688 0.5996617 7.382331       0.3256529 7.718454       0.4725611 7.078352       0.4493969 1.175974       1.199323  
1 1 1 14  25 12 f 42.39574 0.6634552 17.78315       0.5590380 20.16524       0.8492646 15.96173       0.7426218 4.948578       1.326910  
1 1 1 14  25 13 o 27.37985 0.6061468 7.495457       0.3316747 7.182732       0.4587874 7.837842       0.4800527 -1.194653      1.212294  
1 1 1 14  25 14 o 42.26238 0.7911822 17.72937       0.6649610 16.31384       0.8847238 19.56724       1.008104  -3.835938      1.582364  
1 1 1 14  25 15 o 71.15545 1.146082  50.72208       1.627171  53.21044       2.403140  48.61541       2.211162  3.198944       2.292164  
1 1 1 14  25 16 o 64.89555 1.064792  42.20123       1.379651  40.67693       1.885485  43.95794       2.024125  -2.507469      2.129584  
1 1 1 14  25 17 o 63.99133 0.9546005 40.37825       1.165664  43.48423       2.002810  38.78717       1.433466  3.592190       1.909201  
1 1 1 14  25 18 o 25.83994 0.6170662 6.683504       0.3186787 7.043084       0.4563319 6.341202       0.4452326 1.357130       1.234132  
1 1 1 14  25 19 o 19.45257 1.414714  3.694879       0.4768611 4.061756       0.9735335 3.579068       0.5469714 1.152258       2.829429  
1 1 1 14  25 20 o 45.25921 1.058103  20.68521       0.7913364 20.76151       0.8961704 20.41512       1.686079  0.5108490      2.116206  
1 1 1 14  25 21 o 19.01923 0.6595098 3.588659       0.2475434 4.502973       0.3691954 2.841905       0.3336548 4.362810       1.319020  
1 1 1 14  25 22 o 14.77643 1.766513  1.926318       0.2952115 2.707462       1.033401  1.856906       0.3080485 2.342601       3.533026  
1 1 1 14  25 23 o 9.897726 2.870940  0.4297878      0.8877039 0.2562860      1.462294  0.5310423      1.117095  0.5102854      5.741881  
1 1 1 14  25 24 o 43.59720 0.7914752 19.01645       0.6869608 19.59316       1.028119  18.55131       0.9233266 1.179726       1.582950  
1 1 1 14  25 25 o 35.59055 0.7571384 12.70637       0.5388567 12.69145       0.7552628 12.72183       0.7690409 -0.4064560E-01 1.514277  
1 1 1 14  25 26 o 39.30153 0.7912605 15.46884       0.6213056 16.26561       0.9035602 14.75422       0.8557088 1.915253       1.582521  
1 1 1 14  25 27 o 34.82919 0.7617385 12.15768       0.5302813 12.66980       0.7658601 11.68607       0.7349563 1.407223       1.523477  
1 1 1 14  25 28 f 10.50358 1.041908  1.098534       0.2175269 1.280293       0.3264021 0.9533057      0.2917632 1.548518       2.083816  
1 1 1 14  25 29 o 16.70557 0.7987457 2.803461       0.2666455 2.760521       0.3832956 2.843729       0.3711835 -0.2511978     1.597491  
1 1 1 14  25 30 o 30.01782 0.7448133 8.973791       0.4453961 10.05443       0.6633386 8.086627       0.6010309 3.266863       1.489627  
1 1 1 14  25 31 f 10.98798 1.097343  1.216524       0.2304288 1.603768       0.3471224 0.9114382      0.3081064 3.267313       2.194687  
1 1 1 14  25 32 o 23.46260 0.7558616 5.525960       0.3546576 5.423532       0.4987016 5.630771       0.5044712 -0.4405689     1.511723  
1 1 1 14  25 33 f 32.90372 0.9521017 10.95154       0.5937719 10.72506       1.011572  11.07060       0.7334120 -0.5915947     1.904203  
1 1 1 14  26 0  o 55.32961 0.7464494 30.66588       0.8259917 30.62868       1.163444  30.70368       1.172870  -0.6700516E-01 1.492899  
1 1 1 14  26 1  o 59.12127 0.7750829 35.01384       0.9163449 34.74441       1.283131  35.29427       1.309074  -0.4628105     1.550166  
1 1 1 14  26 2  o 64.35356 0.8146351 41.20646       1.043748  44.56404       1.570026  38.54736       1.397209  4.658901       1.629270  
1 1 1 14  26 3  o 50.72658 0.7157429 25.76353       0.7259876 26.43689       1.038700  25.12042       1.015110  1.295685       1.431486  
1 1 1 14  26 4  o 71.52391 0.8743195 51.13910       1.248261  53.56429       1.836455  49.05642       1.701835  3.137596       1.748639  
1 1 1 14  26 5  o 58.61667 1.236956  34.39725       1.447187  37.25126       2.123744  31.92315       1.977352  4.523357       2.473912  
1 1 1 14  26 6  o 75.19757 1.169637  56.04419       1.597689  58.65263       2.993772  55.00546       1.889209  2.270859       2.339273  
1 1 1 14  26 7  o 59.24265 0.7757524 34.99574       0.9164612 37.47903       1.361307  32.93731       1.239398  3.821354       1.551505  
1 1 1 14  26 8  o 31.61463 0.6209251 9.896565       0.3903886 8.774364       0.5217056 11.32449       0.5884942 -4.027824      1.241850  
1 1 1 14  26 9  o 37.55158 0.6418903 13.85674       0.4774854 16.34799       0.7376924 12.06045       0.6264061 5.699451       1.283781  
1 1 1 14  26 10 o 62.17546 0.8043867 38.73550       1.000036  39.69899       1.432037  37.81841       1.397139  1.508537       1.608773  
1 1 1 14  26 11 o 49.25153 0.7128798 24.21118       0.7008254 25.92018       1.030549  22.74083       0.9558902 3.220436       1.425760  
1 1 1 14  26 12 f 40.05797 0.6515400 16.04661       0.5214640 15.50536       0.7180475 16.65062       0.7585404 -1.425869      1.303080  
1 1 1 14  26 13 o 45.51112 0.6924803 20.63097       0.6283398 22.36399       0.9345189 19.20111       0.8488579 3.466434       1.384961  
1 1 1 14  26 14 o 29.24109 0.6180969 8.560411       0.3611707 9.060592       0.5163038 8.081105       0.5054151 1.673868       1.236194  
1 1 1 14  26 15 o 78.58074 0.9478069 61.67609       1.484099  58.65589       1.997811  65.39508       2.216914  -4.257614      1.895614  
1 1 1 14  26 16 o 45.53825 0.7037051 20.70789       0.6394415 19.74698       0.8691067 21.84192       0.9441627 -2.292213      1.407410  
1 1 1 14  26 17 o 58.96852 1.158614  35.40989       1.340207  32.53662       2.059725  37.51951       1.764919  -4.279465      2.317228  
1 1 1 14  26 18 o 26.49266 1.365967  7.050344       0.7237619 7.050344       0.7237619 ?              ?         ?              ?         
1 1 1 14  26 19 o 35.81725 1.061441  0.000000       0.000000  ?              ?         12.86471       0.7603575 ?              ?         
1 1 1 14  26 20 o 19.39055 5.152739  0.000000       0.000000  ?              ?         4.151021       2.032874  ?              ?         
1 1 1 14  26 21 f 12.15028 0.8478792 1.485822       0.2053195 1.351152       0.2916360 1.618171       0.2891118 -1.099205      1.695758  
1 1 1 14  26 22 o 37.09279 0.7617044 13.57158       0.5598887 12.12991       0.7337802 15.58051       0.8661973 -4.632332      1.523409  
1 1 1 14  26 23 o 10.59794 0.9378305 1.127094       0.1985205 1.158279       0.2896880 1.099480       0.2725919 0.2742386      1.875661  
1 1 1 14  26 24 o 51.46758 0.9112522 26.52384       0.9357952 25.36210       1.271463  27.89695       1.382303  -2.442234      1.822504  
1 1 1 14  26 25 o 6.348920 1.305833  0.4052447      0.1825449 0.5643289      0.2612104 0.2533863      0.2552092 1.962994       2.611666  
1 1 1 14  26 26 o 28.08880 0.7214429 7.917943       0.4051457 8.135145       0.5717577 7.698900       0.5741752 0.7769337      1.442886  
1 1 1 14  26 27 o 19.37823 0.7405369 3.765107       0.2865671 3.483409       0.3993394 4.064173       0.4114667 -1.496485      1.481074  
1 1 1 14  26 28 o 32.98288 0.7500898 10.89499       0.4941792 10.43602       0.6783949 11.41391       0.7213295 -1.474831      1.500180  
1 1 1 14  26 29 o 11.75213 0.9717049 1.387034       0.2278991 1.439655       0.3356962 1.342048       0.3103858 0.4090776      1.943410  
1 1 1 14  26 30 o 31.44116 0.7511190 9.901256       0.4717667 9.427163       0.6486612 10.43363       0.6873788 -1.593454      1.502238  
1 1 1 14  26 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  27 0  o 33.85843 0.6401618 11.43160       0.4325546 10.57272       0.5904543 12.42643       0.6354727 -2.733772      1.280324  
1 1 1 14  27 1  o 87.82483 1.019595  77.04481       1.784694  81.85615       2.662197  73.11756       2.405202  4.941162       2.039190  
1 1 1 14  27 2  o 12.02249 0.8495678 1.445951       0.2023141 1.736472       0.2949840 1.187918       0.2780013 2.279491       1.699136  
1 1 1 14  27 3  o 30.58111 0.6253768 9.345072       0.3820450 9.962165       0.5545960 8.787770       0.5270427 1.917845       1.250754  
1 1 1 14  27 4  o 33.02000 0.6280074 10.90753       0.4144960 11.28921       0.5986340 10.55602       0.5744832 1.108181       1.256015  
1 1 1 14  27 5  o 65.04649 0.8272240 42.42213       1.076039  42.47498       1.510943  42.36774       1.532789  0.8487701E-01  1.654448  
1 1 1 14  27 6  f 79.18211 0.9457092 62.84446       1.496700  64.84348       2.164740  61.01370       2.071635  2.406349       1.891418  
1 1 1 14  27 7  f 75.60126 0.9139302 57.24430       1.380105  55.54527       1.894542  59.16532       2.014503  -2.379120      1.827860  
1 1 1 14  27 8  o 109.5267 1.225487  120.6475       2.684058  122.1757       3.837076  119.1833       3.755890  1.352089       2.450975  
1 1 1 14  27 9  o 10.78142 1.923872  1.039400       0.2489849 1.015630       0.2584045 1.347726       0.9306501 -1.440860      3.847743  
1 1 1 14  27 10 o 47.20685 1.264546  22.40867       1.192606  21.96168       1.642323  22.90735       1.734662  -0.9845886     2.529092  
1 1 1 14  27 11 o 7.293645 2.218803  -0.2085260     0.6154389 0.3588921      0.8553531 -0.8175942     0.8861899 2.153541       4.437607  
1 1 1 14  27 12 o 36.85899 1.284747  13.66401       0.9445423 13.45843       1.285164  13.90549       1.392900  -0.5856857     2.569494  
1 1 1 14  27 13 o 10.59174 2.559446  1.038524       0.6552315 0.7717821      0.8874187 1.358247       0.9715618 -1.972210      5.118891  
1 1 1 14  27 14 o 35.99302 1.322734  13.06051       0.9507252 13.03707       1.308366  13.08674       1.383865  -0.5234146E-01 2.645467  
1 1 1 14  27 15 f 29.51351 1.271347  9.180745       0.6205628 9.525365       0.7096592 8.060978       1.279214  2.598917       2.542694  
1 1 1 14  27 16 f 31.68115 1.422042  10.10110       0.8975101 9.744984       1.208417  10.53922       1.340354  -1.220432      2.844084  
1 1 1 14  27 17 o 63.20336 1.452729  40.76421       1.371466  40.97030       1.505947  39.76244       3.320192  1.387985       2.905459  
1 1 1 14  27 18 f 43.79934 0.7913426 19.27469       0.6915181 19.74066       0.9523807 18.75508       1.005705  1.132668       1.582685  
1 1 1 14  27 19 o 62.06585 1.035981  38.72876       1.285746  39.32673       1.839967  38.15813       1.797418  0.9331779      2.071962  
1 1 1 14  27 20 o 6.186151 1.321192  0.3867952      0.1763587 0.4153014      0.2646479 0.3640242      0.2365316 0.3940187      2.642385  
1 1 1 14  27 21 o 68.20300 1.117446  46.83548       1.524003  46.36849       2.131874  47.32355       2.179446  -0.6895294     2.234891  
1 1 1 14  27 22 o 43.10012 0.8176522 18.62743       0.7042444 18.11141       0.9723058 19.19689       1.021412  -1.250793      1.635304  
1 1 1 14  27 23 o 30.16274 0.7147461 9.065549       0.4296987 8.325010       0.5800015 9.966529       0.6397544 -2.711550      1.429492  
1 1 1 14  27 24 o 41.24019 0.8030901 16.96825       0.6598786 15.88216       0.8871784 18.31314       0.9872391 -2.929623      1.606180  
1 1 1 14  27 25 f 18.90041 0.7342845 3.584854       0.2775383 3.646421       0.3928135 3.523484       0.3921841 0.3251171      1.468569  
1 1 1 14  27 26 o 55.53926 0.9654936 30.97153       1.070725  29.87124       1.464564  32.23487       1.569326  -2.103554      1.930987  
1 1 1 14  27 27 o 9.444786 1.121666  0.9059490      0.2056807 1.081468       0.3053141 0.7601051      0.2783104 1.829024       2.243333  
1 1 1 14  27 28 o 28.97425 0.8909187 8.655634       0.4974671 7.534062       0.7883018 9.397879       0.6412868 -3.247610      1.781837  
1 1 1 14  27 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  28 0  o 70.80486 0.8783042 50.24915       1.243185  51.48420       1.791914  49.10304       1.726185  1.673409       1.756608  
1 1 1 14  28 1  o 72.65067 0.8911215 52.94957       1.294796  53.26857       1.831734  52.63101       1.830503  0.4386292      1.782243  
1 1 1 14  28 2  o 46.57650 0.6964423 21.73264       0.6486403 21.54666       0.9072606 21.92710       0.9277130 -0.4063606     1.392885  
1 1 1 14  28 3  o 6.672082 1.312209  0.4634751      0.1832765 0.3773969      0.2667359 0.5404603      0.2522543 -1.027768      2.624419  
1 1 1 14  28 4  o 45.25030 0.6893659 20.49418       0.6235428 21.24842       0.8995557 19.79662       0.8650987 1.600716       1.378732  
1 1 1 14  28 5  f 15.62432 0.7184969 2.454522       0.2232558 2.148768       0.3149631 2.763277       0.3165053 -1.966353      1.436994  
1 1 1 14  28 6  o 53.68871 0.7474298 28.88225       0.8024343 29.47092       1.147426  28.31876       1.122608  1.070267       1.494860  
1 1 1 14  28 7  o 57.06466 0.7755482 32.43835       0.8821321 35.33725       1.314602  30.06389       1.189765  4.605915       1.551096  
1 1 1 14  28 8  o 48.04194 0.7097589 23.13228       0.6819274 23.42212       0.9648561 22.84301       0.9639267 0.6026115      1.419518  
1 1 1 14  28 9  o 10.43573 0.9094564 1.090146       0.1895269 1.150051       0.2775316 1.037794       0.2594448 0.5351648      1.818913  
1 1 1 14  28 10 f 49.79807 0.7218859 24.84160       0.7186950 25.68249       1.032792  24.05210       1.000742  1.633076       1.443772  
1 1 1 14  28 11 o 40.08094 0.6715894 15.94972       0.5357716 17.79611       0.8063186 14.49004       0.7169257 4.113762       1.343179  
1 1 1 14  28 12 o 33.59656 1.123096  11.17070       0.6871379 11.81285       1.284931  10.91351       0.8131809 1.246696       2.246193  
1 1 1 14  28 13 o 86.08669 1.888398  75.61180       3.087612  76.03168       3.819392  74.81982       5.245441  1.172203       3.776797  
1 1 1 14  28 14 o 21.08562 0.6850850 4.446549       0.2876820 5.047246       0.4172937 3.902470       0.3971417 2.712143       1.370170  
1 1 1 14  28 15 o 37.22243 0.7318245 13.90723       0.5441767 14.59433       0.7666832 13.20964       0.7725141 1.860798       1.463649  
1 1 1 14  28 16 o 37.56646 0.7600362 14.09035       0.5696116 15.13126       0.8424745 13.21381       0.7730947 2.542046       1.520072  
1 1 1 14  28 17 o 42.07384 0.8034486 17.69553       0.6745840 18.84518       0.9953029 16.71869       0.9174565 2.514725       1.606897  
1 1 1 14  28 18 o 20.20205 0.7242963 4.056687       0.2888224 3.217288       0.3901576 5.074372       0.4295982 -4.590614      1.448593  
1 1 1 14  28 19 o 49.26196 0.8828913 24.38012       0.8698547 24.47934       1.230594  24.28104       1.229728  0.2011147      1.765783  
1 1 1 14  28 20 o 27.68248 0.7018974 7.674863       0.3882927 7.358838       0.5365134 8.022464       0.5626783 -1.194534      1.403795  
1 1 1 14  28 21 o 50.92984 0.9041913 26.07104       0.9209785 26.12325       1.298173  26.01814       1.306790  0.1049194      1.808383  
1 1 1 14  28 22 o 5.485009 1.243153  0.2629774      0.1756947 -0.2569872E-02 0.2599811 0.4862000      0.2383636 -2.649958      2.486307  
1 1 1 14  28 23 o 23.07915 0.7170771 5.341749       0.3294578 4.673875       0.4576511 6.060195       0.4746616 -3.000551      1.434154  
1 1 1 14  28 24 o 53.25119 0.9354760 28.44891       0.9945581 29.93047       1.460407  27.16748       1.358185  2.570415       1.870952  
1 1 1 14  28 25 o 66.79984 1.104224  44.99809       1.475139  45.46152       2.101267  44.54774       2.071377  0.6757889      2.208449  
1 1 1 14  28 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  29 0  o 67.09783 0.8506315 45.12330       1.140605  44.14697       1.575857  46.19760       1.653027  -1.517746      1.701263  
1 1 1 14  29 1  o 53.93095 0.7565218 28.96774       0.8126044 27.13209       1.090092  31.26354       1.219090  -3.814625      1.513044  
1 1 1 14  29 2  o 24.04173 0.6547140 5.790760       0.3147873 5.874314       0.4481482 5.709384       0.4422631 0.3423748      1.309428  
1 1 1 14  29 3  o 37.69723 0.6609835 14.17888       0.4972613 13.22738       0.6774131 15.29066       0.7322514 -2.730553      1.321967  
1 1 1 14  29 4  o 26.32918 0.6462547 6.943888       0.3398272 6.451349       0.4751743 7.459531       0.4861916 -1.913349      1.292509  
1 1 1 14  29 5  o 57.15132 0.7795614 32.55091       0.8879862 35.40233       1.324304  30.22160       1.196937  4.515137       1.559123  
1 1 1 14  29 6  o 43.67065 0.6961335 19.07331       0.6073088 20.14160       0.8842788 18.11958       0.8355225 2.309101       1.392267  
1 1 1 14  29 7  o 57.81839 0.7863942 33.48652       0.9086775 34.75380       1.316522  32.33352       1.255758  2.084576       1.572788  
1 1 1 14  29 8  o 23.27432 1.667786  5.526186       0.7660692 5.726960       1.015970  5.261604       1.166289  1.043678       3.335571  
1 1 1 14  29 9  o 46.08207 1.683278  22.00373       1.418324  22.75328       1.709241  20.34655       2.541504  2.851959       3.366555  
1 1 1 14  29 10 o 24.22213 0.6608247 5.827851       0.3180921 5.444391       0.4219350 6.332750       0.4841572 -1.826372      1.321649  
1 1 1 14  29 11 o 37.86643 0.7419460 14.30715       0.5586262 13.74754       0.7448311 15.02665       0.8445688 -1.675308      1.483892  
1 1 1 14  29 12 o 48.25870 0.8297698 23.41228       0.7988899 23.97478       1.099907  22.78418       1.162272  1.243446       1.659540  
1 1 1 14  29 13 f 11.83117 0.8846516 1.392295       0.2055264 1.803581       0.3067912 1.057422       0.2768289 3.148205       1.769303  
1 1 1 14  29 14 o 45.90609 0.8423579 21.03967       0.7708013 22.60853       1.149021  19.75596       1.039364  3.088512       1.684716  
1 1 1 14  29 15 o 41.05387 0.7937842 16.81905       0.6497008 18.16813       0.9667931 15.70808       0.8773381 2.981575       1.587568  
1 1 1 14  29 16 o 19.67722 0.7092637 3.876250       0.2783424 3.485785       0.3850428 4.303625       0.4028306 -2.075384      1.418527  
1 1 1 14  29 17 o 46.67997 0.8525469 21.83897       0.7947993 20.96459       1.088954  22.83580       1.162698  -1.990269      1.705094  
1 1 1 14  29 18 o 24.62481 0.6987757 6.078835       0.3440271 5.868013       0.4806062 6.300375       0.4926737 -0.8760414     1.397551  
1 1 1 14  29 19 o 80.62519 1.285380  65.69145       2.072673  65.61064       2.926432  65.77280       2.935996  -0.9777832E-01 2.570761  
1 1 1 14  29 20 o 28.72751 0.7145227 8.274792       0.4103738 8.061148       0.5709147 8.503178       0.5902823 -0.7661018     1.429045  
1 1 1 14  29 21 o 37.59550 0.7679959 14.18992       0.5774015 13.99682       0.8093733 14.39005       0.8239600 -0.5201912     1.535992  
1 1 1 14  29 22 o 54.22886 0.9446834 29.59326       1.024581  29.59817       1.449758  29.58837       1.448197  0.8659363E-02  1.889367  
1 1 1 14  29 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  29 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  30 0  o 36.31067 0.6672778 13.07093       0.4819525 11.70179       0.6436657 14.81804       0.7271034 -4.281250      1.334556  
1 1 1 14  30 1  o 20.28121 0.7053078 4.104241       0.2852907 4.552793       0.4186861 3.715475       0.3897863 2.060663       1.410616  
1 1 1 14  30 2  o 14.92855 0.8397743 2.261674       0.2478762 1.949271       0.3599968 2.543310       0.3418097 -1.992299      1.679549  
1 1 1 14  30 3  o 27.56030 2.151734  8.240042       0.9743611 8.650623       1.116777  6.931170       1.993955  3.433580       4.303468  
1 1 1 14  30 4  o 47.62851 1.769801  24.47310       1.522690  26.93242       1.857943  19.44196       2.657410  8.107162       3.539602  
1 1 1 14  30 5  o 45.34987 1.005905  20.62064       0.9123529 20.62064       0.9123529 ?              ?         ?              ?         
1 1 1 14  30 6  o 36.55601 0.7339647 13.37394       0.5353421 14.73661       0.7750377 12.13058       0.7403304 3.559605       1.467929  
1 1 1 14  30 7  o 37.75636 0.7738539 14.29369       0.5841566 13.80381       0.8156019 14.80968       0.8370604 -1.328838      1.547708  
1 1 1 14  30 8  o 52.93721 0.9249999 28.07936       0.9775176 29.41053       1.436866  26.93243       1.333726  2.321709       1.850000  
1 1 1 14  30 9  o 53.05130 0.9279570 28.25228       0.9840069 27.45259       1.363273  29.12205       1.421761  -1.562603      1.855914  
1 1 1 14  30 10 o 54.35725 0.9407081 29.69617       1.022678  29.74105       1.449606  29.65171       1.442988  0.8092117E-01  1.881416  
1 1 1 14  30 11 o 29.01311 0.7027171 8.441905       0.4077484 8.381078       0.5740012 8.503864       0.5793223 -0.2108173     1.405434  
1 1 1 14  30 12 o 38.09496 0.7661606 14.56116       0.5836471 14.27230       0.8171473 14.86198       0.8339113 -0.7711067     1.532321  
1 1 1 14  30 13 f 8.492135 1.152512  0.7948251      0.1884456 0.3762666      0.2726508 1.177648       0.2607520 -4.670196      2.305025  
1 1 1 14  30 14 o 21.71460 0.6950535 4.715075       0.3013732 5.079342       0.4395828 4.392003       0.4139807 1.578747       1.390107  
1 1 1 14  30 15 o 45.53230 0.8406761 20.81544       0.7653664 20.40514       1.067896  21.24879       1.097493  -0.9208488     1.681352  
1 1 1 14  30 16 o 60.26883 1.014954  36.56263       1.223286  36.20418       1.715691  36.93329       1.744648  -0.5980911     2.029907  
1 1 1 14  30 17 o 44.29765 0.8319097 19.70985       0.7369182 20.01221       1.053594  19.42027       1.031090  0.6636353      1.663819  
1 1 1 14  30 18 o 70.32487 1.147193  49.91500       1.613425  50.28107       2.297237  49.55865       2.266527  0.5047607      2.294386  
1 1 1 14  30 19 o 22.13415 0.9884135 0.000000       0.000000  ?              ?         4.915983       0.4375537 ?              ?         
1 1 1 14  30 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  30 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  31 0  o 35.37822 0.7871569 12.55565       0.5568545 12.76935       0.7972530 12.35209       0.7781181 0.5867081      1.574314  
1 1 1 14  31 1  o 29.71817 0.7700185 8.753778       0.4546061 7.558548       0.6081714 10.26729       0.6843740 -4.545698      1.540037  
1 1 1 14  31 2  o 9.447375 1.264912  0.9520260      0.2288819 0.6945072      0.3398531 1.165779       0.3096297 -2.636538      2.529823  
1 1 1 14  31 3  o 18.71960 0.7929565 3.526381       0.2960570 3.322711       0.4261410 3.716401       0.4116125 -1.053869      1.585913  
1 1 1 14  31 4  o 50.21622 0.9059442 25.33784       0.9098549 25.25565       1.287698  25.41979       1.285763  -0.1637917     1.811888  
1 1 1 14  31 5  o 13.38160 0.9032848 1.775562       0.2399646 2.100230       0.3623539 1.521954       0.3202546 2.152599       1.806570  
1 1 1 14  31 6  o 34.32951 0.7632573 11.77998       0.5229199 10.85165       0.7151736 12.84643       0.7665359 -2.896687      1.526515  
1 1 1 14  31 7  o 52.75336 0.9293334 27.94810       0.9797291 28.78556       1.420528  27.18834       1.353028  1.499817       1.858667  
1 1 1 14  31 8  o 25.67366 0.7167710 6.572481       0.3657882 5.619467       0.4982879 7.686242       0.5386745 -4.018692      1.433542  
1 1 1 14  31 9  o 39.83379 0.7887201 15.84744       0.6263631 16.94237       0.9323236 14.94668       0.8456308 2.489944       1.577440  
1 1 1 14  31 10 o 53.75892 0.9357155 29.04974       1.005855  28.56980       1.405188  29.55407       1.440455  -0.9080887     1.871431  
1 1 1 14  31 11 o 37.45568 0.7641153 14.08121       0.5723609 13.82624       0.8061824 14.34035       0.8127385 -0.6851349     1.528231  
1 1 1 14  31 12 o 51.08170 0.9058216 26.12718       0.9231595 24.73481       1.253105  27.77972       1.365172  -2.956680      1.811643  
1 1 1 14  31 13 o 11.50940 0.9377186 1.320000       0.2144189 1.440505       0.3269357 1.229044       0.2840375 0.9088764      1.875437  
1 1 1 14  31 14 o 40.91677 0.7965814 16.79074       0.6513400 16.11698       0.8996704 17.53287       0.9442108 -1.721275      1.593163  
1 1 1 14  31 15 o 16.10619 0.7690181 2.615409       0.2466416 2.452817       0.3585146 2.761507       0.3398417 -0.9618645     1.538036  
1 1 1 14  31 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  31 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  32 0  o 35.97714 0.8048609 12.99427       0.5790780 13.10268       0.8257522 12.88936       0.8122936 0.2940750      1.609722  
1 1 1 14  32 1  o 65.28691 1.093329  42.94186       1.427598  42.90022       2.020501  42.98338       2.017359  -0.6445313E-01 2.186658  
1 1 1 14  32 2  o 15.27665 0.8933229 2.374692       0.2690446 1.955488       0.3860935 2.770398       0.3751170 -2.669319      1.786646  
1 1 1 14  32 3  o 38.36531 0.7956114 14.77584       0.6104072 14.91674       0.8712710 14.64002       0.8554392 0.3578110      1.591223  
1 1 1 14  32 4  f 29.35461 0.7361943 8.552352       0.4297759 9.623439       0.6505167 7.722720       0.5725172 3.224463       1.472389  
1 1 1 14  32 5  o 12.10288 0.9878749 1.462024       0.2340128 1.923396       0.3487296 1.084081       0.3156288 3.460020       1.975750  
1 1 1 14  32 6  o 51.99108 0.9222607 27.02245       0.9552147 28.96217       1.430361  25.46102       1.283324  3.335262       1.844521  
1 1 1 14  32 7  o 25.62214 0.7170873 6.572665       0.3668043 6.830807       0.5385891 6.349356       0.5009344 0.9330368      1.434175  
1 1 1 14  32 8  o 58.32812 0.9962093 34.24973       1.161967  34.72853       1.660912  33.79075       1.626179  0.7953186      1.992419  
1 1 1 14  32 9  o 20.97725 0.7343884 4.310536       0.3038397 5.457473       0.4699846 3.486968       0.3982571 4.683519       1.468777  
1 1 1 14  32 10 o 14.71201 0.8368379 2.126907       0.2427013 2.712526       0.3729779 1.696838       0.3196280 3.440814       1.673676  
1 1 1 14  32 11 o 40.50151 0.7972488 16.47184       0.6457126 16.13498       0.9056203 16.82018       0.9209229 -0.8429222     1.594498  
1 1 1 14  32 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  32 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 14  33 0  o 45.03388 0.8856714 20.30047       0.7954568 21.63248       1.180418  19.19241       1.076624  2.685940       1.771343  
1 1 1 14  33 1  f 83.64579 1.340653  70.83298       2.242147  69.66123       3.125278  72.07569       3.218526  -1.411728      2.681306  
1 1 1 14  33 2  o 65.80445 1.103962  43.67496       1.452850  43.76524       2.065136  43.58651       2.044302  0.1300507      2.207924  
1 1 1 14  33 3  o 17.82077 0.8331872 3.161484       0.2954964 3.612305       0.4416703 2.796164       0.3975874 2.280790       1.666374  
1 1 1 14  33 4  o 65.68651 1.096923  43.45707       1.439862  44.66143       2.088553  42.36618       1.987730  1.720093       2.193847  
1 1 1 14  33 5  o 34.72329 0.7659348 12.08976       0.5314488 12.48124       0.7715714 11.73637       0.7330702 1.065388       1.531870  
1 1 1 14  33 6  o 10.39465 1.120268  1.129116       0.2220308 0.9183612      0.3265330 1.310354       0.3028056 -2.034738      2.240536  
1 1 1 14  33 7  o 11.09299 2.378721  0.000000       0.000000  ?              ?         1.302364       0.5125000 ?              ?         
1 1 1 14  33 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  0  0  o 167.0608 2.495040  279.4956       8.325656  275.7036       11.60393  283.5188       11.95231  -0.000000      0.000000  
1 1 1 15  0  1  o 95.23133 1.487525  90.81618       2.829610  91.97845       4.047934  89.70559       3.956961  -0.000000      0.000000  
1 1 1 15  0  2  f 22.05104 0.8076846 4.901036       0.3537821 5.210510       0.5049521 4.602654       0.4958198 -0.000000      0.000000  
1 1 1 15  0  3  o 111.6326 1.708016  124.8018       3.808891  126.1180       5.442097  123.5380       5.332738  -0.000000      0.000000  
1 1 1 15  0  4  o 253.8368 3.751657  646.0145       19.02763  646.2037       26.90787  645.8253       26.91040  -0.000000      0.000000  
1 1 1 15  0  5  o 43.78965 0.8555357 19.21968       0.7479786 19.12051       1.052240  19.32097       1.063452  -0.000000      0.000000  
1 1 1 15  0  6  f 76.38402 1.237893  58.24281       1.884466  61.34292       2.783749  55.62036       2.560324  -0.000000      0.000000  
1 1 1 15  0  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  0  8  o 261.1588 5.481312  684.8431       28.52718  664.5787       39.02703  708.0927       41.80292  -0.000000      0.000000  
1 1 1 15  0  9  o 91.07785 1.426854  83.09208       2.596250  83.25525       3.677341  82.92991       3.665989  -0.000000      0.000000  
1 1 1 15  0  10 o 80.64917 1.289818  65.12471       2.077329  66.20686       2.986852  64.11086       2.891062  -0.000000      0.000000  
1 1 1 15  0  11 f 166.3512 2.490084  277.2091       8.274169  273.4680       11.54419  281.1612       11.86530  -0.000000      0.000000  
1 1 1 15  0  12 o 38.51951 0.8587427 14.87240       0.6598504 15.25751       0.9499397 14.51334       0.9172570 -0.000000      0.000000  
1 1 1 15  0  13 o 142.5857 2.148676  203.4670       6.115093  208.7864       8.889137  198.6880       8.425567  -0.000000      0.000000  
1 1 1 15  0  14 o 37.29898 0.8462813 13.89130       0.6283923 15.03291       0.9268326 12.92006       0.8548832 -0.000000      0.000000  
1 1 1 15  0  15 o 65.15810 1.566944  42.53711       2.039359  42.53711       2.039359  42.53711       2.039359  -0.000000      0.000000  
1 1 1 15  0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  0  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  0  18 o 116.7395 2.525682  136.5538       5.890795  136.5538       5.890795  136.5538       5.890795  -0.000000      0.000000  
1 1 1 15  0  19 o 18.30722 1.035888  3.351061       0.3697171 4.168105       0.5655550 2.741313       0.4885703 -0.000000      0.000000  
1 1 1 15  0  20 f 112.6803 1.732493  127.1936       3.899048  128.8869       5.597255  125.5973       5.434518  -0.000000      0.000000  
1 1 1 15  0  21 o 77.46609 1.262404  59.88697       1.947382  63.08411       2.896330  57.24915       2.630805  -0.000000      0.000000  
1 1 1 15  0  22 o 23.85642 0.9182636 5.797225       0.4274976 4.554700       0.6005877 7.073284       0.6086384 -0.000000      0.000000  
1 1 1 15  0  23 o 31.92395 0.8478845 10.03477       0.5340683 11.76809       0.8305753 8.812926       0.6973466 -0.000000      0.000000  
1 1 1 15  0  24 o 117.1628 1.799523  137.6126       4.211186  139.2978       6.039146  136.0177       5.875268  -0.000000      0.000000  
1 1 1 15  0  25 o 19.63229 0.9599746 3.958572       0.3683214 3.417731       0.5369077 4.439348       0.5062165 -0.000000      0.000000  
1 1 1 15  0  26 f 47.37319 0.9246466 22.40573       0.8717756 23.67651       1.297492  21.35994       1.177043  -0.000000      0.000000  
1 1 1 15  0  27 o 6.827844 2.104181  0.6650614      0.2942089 0.7059982      0.4461179 0.6335534      0.3913831 -0.000000      0.000000  
1 1 1 15  0  28 o 30.99495 0.8476111 9.608162       0.5221538 10.24375       0.7760803 9.082495       0.7057884 -0.000000      0.000000  
1 1 1 15  0  29 o 50.84269 0.9723928 25.88735       0.9864800 24.78759       1.366105  27.08567       1.426009  -0.000000      0.000000  
1 1 1 15  0  30 o 53.62197 0.9977929 28.78580       1.066833  29.68568       1.560470  27.99610       1.461817  -0.000000      0.000000  
1 1 1 15  0  31 o 46.55500 0.9329605 21.69187       0.8649983 22.41268       1.276770  21.08034       1.176017  -0.000000      0.000000  
1 1 1 15  0  32 o 46.19645 0.9358683 21.39398       0.8619027 21.73277       1.256657  21.09303       1.184380  -0.000000      0.000000  
1 1 1 15  0  33 o 21.44463 0.9799672 4.696536       0.4128040 4.316732       0.6096374 5.018131       0.5609793 -0.000000      0.000000  
1 1 1 15  0  34 o 81.71889 1.341147  67.00565       2.189005  65.74786       3.065822  68.31372       3.126511  -0.000000      0.000000  
1 1 1 15  0  35 o 6.408361 2.190811  0.5971680      0.3220616 0.7046905      0.4953323 0.5184234      0.4238940 -0.000000      0.000000  
1 1 1 15  0  36 o 5.658047 2.132851  0.4422962      0.3190542 0.5952392      0.5107982 0.3444520      0.4085568 -0.000000      0.000000  
1 1 1 15  0  37 o 6.690274 2.244464  0.6214296      0.3380234 0.8708748      0.5419660 0.4626176      0.4324401 -0.000000      0.000000  
1 1 1 15  0  38 o 26.22008 1.343397  7.307492       0.6445593 7.937427       0.7987499 6.131501       1.091353  -0.000000      0.000000  
1 1 1 15  0  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  0  40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  0  41 o 15.51894 1.382785  2.485410       0.4122729 2.791564       0.6519825 2.281435       0.5321758 -0.000000      0.000000  
1 1 1 15  0  42 o 16.58735 1.327901  2.815669       0.4226162 3.114362       0.6788963 2.626691       0.5400045 -0.000000      0.000000  
1 1 1 15  0  43 o 24.13042 1.104035  5.974412       0.5213430 5.422961       0.7778455 6.424181       0.7024815 -0.000000      0.000000  
1 1 1 15  0  44 o 48.34121 1.028607  23.43085       0.9889192 24.20051       1.471654  22.79715       1.335347  -0.000000      0.000000  
1 1 1 15  0  45 o 24.78765 1.098329  6.213663       0.5345071 6.384758       0.8212958 6.087947       0.7040018 -0.000000      0.000000  
1 1 1 15  0  46 o 21.81358 1.199841  4.810935       0.5043923 5.093703       0.8176621 4.637234       0.6408530 -0.000000      0.000000  
1 1 1 15  0  47 o 12.97596 2.054928  1.956865       0.4571092 1.737590       0.7009510 2.119117       0.6029593 -0.000000      0.000000  
1 1 1 15  0  48 o 14.51698 1.768159  2.229625       0.4547549 2.446056       0.7599317 2.108882       0.5676022 -0.000000      0.000000  
1 1 1 15  0  49 o 5.385045 2.309083  0.2520644      0.4306034 0.5193267      0.7341684 0.1119120      0.5316514 -0.000000      0.000000  
1 1 1 15  0  50 o 11.09917 2.496498  1.639004       0.4986066 1.289620       0.7732391 1.887679       0.6523468 -0.000000      0.000000  
1 1 1 15  1  0  o 255.3364 2.667069  651.8192       13.60614  670.7645       19.78799  634.8297       18.73882  7.021698       5.334138  
1 1 1 15  1  1  o 118.0447 1.383852  134.8900       3.115788  125.4144       3.807463  154.1001       5.421227  -12.13792      2.767704  
1 1 1 15  1  2  o 44.07137 0.8416530 19.42509       0.7418545 19.36982       1.048358  19.48053       1.049926  -0.1255989     1.683306  
1 1 1 15  1  3  o 102.5548 1.579053  104.1588       3.213318  113.4490       4.931227  97.30284       4.236188  7.865150       3.158107  
1 1 1 15  1  4  o 243.0957 2.931584  591.8073       14.25070  597.0187       20.37547  586.8168       19.93870  2.089859       5.863168  
1 1 1 15  1  5  o 194.5764 2.040496  378.3610       7.930596  389.4435       11.56874  368.5356       10.89286  5.362839       4.080993  
1 1 1 15  1  6  o 292.3603 3.044586  855.9625       17.79352  841.6098       24.70343  871.4374       25.65098  -5.079132      6.089172  
1 1 1 15  1  7  o 234.3749 2.449061  550.0144       11.47903  553.7166       16.35847  546.4230       16.11194  1.551132       4.898121  
1 1 1 15  1  8  o 142.9386 1.518202  203.5639       4.324998  194.8250       5.831322  214.2488       6.448009  -6.786957      3.036403  
1 1 1 15  1  9  o 69.05937 0.8051192 47.68340       1.111786  48.42292       1.592416  46.98011       1.552933  1.044365       1.610238  
1 1 1 15  1  10 o 123.1701 1.870808  151.3210       4.596033  158.4056       6.807920  145.3882       6.230005  5.275826       3.741616  
1 1 1 15  1  11 o 180.9918 1.903616  327.8099       6.889851  324.8578       9.649426  330.8802       9.840837  -1.660645      3.807233  
1 1 1 15  1  12 o 117.7999 1.564873  137.4882       3.422614  142.5113       6.159703  135.2447       4.116593  3.056206       3.129746  
1 1 1 15  1  13 o 242.7443 3.593174  591.1406       17.44175  596.4569       24.92760  586.0416       24.41316  2.128235       7.186347  
1 1 1 15  1  14 o 172.8007 2.579733  299.0900       8.914005  296.0464       12.46646  302.2741       12.75097  -1.794800      5.159466  
1 1 1 15  1  15 o 206.2500 2.629310  430.3365       10.40751  441.3356       13.09187  411.4499       17.15537  7.355927       5.258620  
1 1 1 15  1  16 f 69.91620 0.8221757 48.81152       1.148468  50.64500       1.671561  47.17212       1.580611  2.482773       1.644351  
1 1 1 15  1  17 o 99.89877 1.339660  100.3558       2.543099  101.4795       3.149133  98.24908       4.311858  1.635124       2.679319  
1 1 1 15  1  18 o 145.2773 2.185740  211.1783       6.344488  216.9674       9.222338  205.9767       8.741854  3.768631       4.371481  
1 1 1 15  1  19 o 148.3369 2.228969  220.5031       6.612454  219.5377       9.298671  221.4907       9.405083  -0.6546478     4.457938  
1 1 1 15  1  20 o 169.0291 2.213076  280.2924       6.835877  301.2593       12.76064  271.8537       8.095465  8.530457       4.426152  
1 1 1 15  1  21 o 156.9279 1.666391  246.4628       5.227162  251.5984       7.545345  241.7236       7.248250  3.136749       3.332783  
1 1 1 15  1  22 o 190.0755 2.001839  360.6327       7.581760  379.7121       11.32053  345.1139       10.20975  9.051270       4.003678  
1 1 1 15  1  23 o 63.35985 0.7714574 40.14447       0.9773293 39.42930       1.363074  40.90115       1.402055  -1.160740      1.542915  
1 1 1 15  1  24 o 74.99581 0.8724252 55.54530       1.296319  61.55612       2.006746  51.24082       1.698190  6.869141       1.744850  
1 1 1 15  1  25 f 68.07764 0.8116270 46.37362       1.105058  46.54730       1.567858  46.20216       1.557766  0.2532196      1.623254  
1 1 1 15  1  26 o 134.8208 1.445576  182.1408       3.897487  183.6099       5.559052  180.7206       5.465887  1.066574       2.891151  
1 1 1 15  1  27 o 34.25899 0.5955074 11.70065       0.4073104 12.57979       0.5965655 10.93296       0.5574678 2.402481       1.191015  
1 1 1 15  1  28 o 72.06026 0.8487688 51.50731       1.215501  48.05679       1.612443  56.04879       1.849866  -5.536011      1.697538  
1 1 1 15  1  29 o 62.15147 0.7667245 38.28527       0.9470326 41.96216       1.441698  35.49445       1.256030  5.195969       1.533449  
1 1 1 15  1  30 o 37.60742 0.6152892 14.02867       0.4607663 15.64905       0.6906599 12.72906       0.6185338 3.879787       1.230578  
1 1 1 15  1  31 o 42.47660 0.6487678 17.78046       0.5468869 20.55806       0.8374164 15.71487       0.7221513 5.696613       1.297536  
1 1 1 15  1  32 o 39.07685 0.6303410 15.20003       0.4912896 14.11046       0.6660918 16.49993       0.7275455 -3.054733      1.260682  
1 1 1 15  1  33 o 45.59211 0.6671686 20.42851       0.6025347 18.05606       0.7889749 23.74848       0.9333239 -6.235954      1.334337  
1 1 1 15  1  34 f 31.23316 0.6309966 9.763799       0.3941379 9.620374       0.5559497 9.908725       0.5588520 -0.4614601     1.261993  
1 1 1 15  1  35 f 46.88534 0.6806409 21.98867       0.6379214 21.41000       0.8851707 22.61401       0.9201605 -1.281883      1.361282  
1 1 1 15  1  36 o 84.11395 0.9708282 70.92295       1.632890  69.97018       2.282153  71.92235       2.337347  -1.154991      1.941656  
1 1 1 15  1  37 o 47.56218 0.9182922 22.18745       0.8384459 24.40060       1.427410  21.02160       1.036008  3.513985       1.836584  
1 1 1 15  1  38 o 32.67944 0.8295262 10.71557       0.5340880 10.77352       0.6987091 10.63412       0.8283626 0.2257843      1.659052  
1 1 1 15  1  39 o 35.06809 0.8245618 12.15056       0.5388722 11.85145       0.6490437 12.81421       0.9667899 -1.339630      1.649124  
1 1 1 15  1  40 o 39.44260 0.8855421 15.38374       0.6789948 14.71431       0.8558939 16.52041       1.115283  -2.258430      1.771084  
1 1 1 15  1  41 o 36.66820 0.9041995 13.49069       0.6630849 13.43123       0.9402860 13.54950       0.9352219 -0.1619263     1.808399  
1 1 1 15  1  42 o 14.02497 1.044040  1.982163       0.2886426 2.430640       0.4166269 1.568212       0.4002690 3.072093       2.088080  
1 1 1 15  1  43 f 14.81001 0.9836205 2.201536       0.2912030 2.114983       0.4051047 2.294078       0.4188876 -0.6023245     1.967241  
1 1 1 15  1  44 o 32.70250 0.7018033 10.70954       0.4587531 10.25281       0.6377562 11.19926       0.6603851 -1.444252      1.403607  
1 1 1 15  1  45 o 6.892383 1.626357  0.4337980      0.2702679 0.2601067      0.3739514 0.6237413      0.3910552 -1.809483      3.252715  
1 1 1 15  1  46 o 34.17068 0.6998031 11.67942       0.4776564 11.02593       0.6570474 12.41187       0.6956177 -2.022583      1.399606  
1 1 1 15  1  47 o 27.18889 0.7641913 7.406150       0.4151703 7.805922       0.6018279 7.043155       0.5734764 1.397875       1.528383  
1 1 1 15  1  48 o 26.85923 0.7764276 7.239777       0.4169874 7.333499       0.5975302 7.150805       0.5821874 0.3374157      1.552855  
1 1 1 15  1  49 o 37.91414 0.7363117 14.41217       0.5579939 14.97380       0.8059679 13.89516       0.7732911 1.416527       1.472623  
1 1 1 15  1  50 o 49.55505 0.9872922 24.58124       0.9073275 25.10041       1.629354  24.34789       1.092371  0.6319580      1.974584  
1 1 1 15  2  0  f 125.4210 1.341909  157.0437       3.360680  162.4845       4.922764  152.2948       4.599159  4.059799       2.683819  
1 1 1 15  2  1  o 54.42082 0.6793930 29.60814       0.7393116 29.11572       1.032853  30.12552       1.058716  -0.9276772     1.358786  
1 1 1 15  2  2  f 141.1773 1.499164  198.1257       4.210681  211.2168       6.357833  187.8975       5.619830  8.252197       2.998327  
1 1 1 15  2  3  o 134.7700 1.434255  181.6300       3.864715  179.1405       5.386437  184.2714       5.548217  -1.902100      2.868509  
1 1 1 15  2  4  o 159.5833 1.686349  253.8649       5.365017  243.7789       7.248906  266.0817       7.977942  -6.979416      3.372698  
1 1 1 15  2  5  o 358.9110 3.733327  1290.714       26.77774  1320.229       38.79671  1263.861       37.00564  7.803680       7.466654  
1 1 1 15  2  6  o 118.9273 1.279242  141.2431       3.038095  137.3288       4.161663  145.7095       4.445388  -3.520638      2.558485  
1 1 1 15  2  7  o 235.4786 2.459959  554.7950       11.57674  566.9252       16.76244  543.7328       16.00760  4.909531       4.919918  
1 1 1 15  2  8  o 76.28969 0.8688551 58.20721       1.325615  57.87781       1.862702  58.54526       1.886940  -0.4372787     1.737710  
1 1 1 15  2  9  o 196.0775 2.056070  384.7924       8.062449  382.4479       11.32462  387.2022       11.48104  -1.209854      4.112140  
1 1 1 15  2  10 o 165.0483 2.142113  271.5411       6.620551  275.9605       11.66917  269.4433       8.039783  1.913177       4.284227  
1 1 1 15  2  11 o 40.31640 0.8757437 16.14643       0.7036278 14.90691       0.9481416 17.66588       1.049759  -3.420887      1.751487  
1 1 1 15  2  12 o 158.1508 2.368973  250.2307       7.487051  256.2307       10.85299  244.7823       10.34206  3.608536       4.737947  
1 1 1 15  2  13 o 162.4476 2.115315  261.7908       6.385957  257.7801       7.688882  270.7098       11.46589  -3.906113      4.230630  
1 1 1 15  2  14 o 179.5195 1.889160  322.5957       6.782803  322.1861       9.578867  323.0077       9.605854  -0.2283173     3.778320  
1 1 1 15  2  15 o 116.0035 1.254552  134.2576       2.904021  139.9372       4.284049  129.4292       3.950062  4.524719       2.509104  
1 1 1 15  2  16 o 132.1555 1.415790  173.3570       3.717330  186.5607       5.661310  163.3495       4.928699  8.770096       2.831581  
1 1 1 15  2  17 o 191.2709 2.010128  366.2981       7.688595  369.5284       10.97868  363.1888       10.77093  1.652191       4.020255  
1 1 1 15  2  18 o 62.73995 0.8346024 39.14391       1.042327  34.17515       1.420498  44.93998       1.534205  -8.577633      1.669205  
1 1 1 15  2  19 o 78.28522 0.9019812 61.16038       1.409856  63.76072       2.068166  58.90294       1.926988  3.100632       1.803962  
1 1 1 15  2  20 o 283.5340 4.205215  810.4885       23.84221  819.1589       34.10386  802.1997       33.34489  2.937195       8.410429  
1 1 1 15  2  21 f 199.7942 2.974381  400.8638       11.87793  409.2437       17.16393  393.1625       16.45438  3.982529       5.948763  
1 1 1 15  2  22 o 109.5353 1.462767  119.5865       3.005311  121.7517       5.282252  118.5501       3.654426  1.407951       2.925535  
1 1 1 15  2  23 o 75.22456 0.8726723 56.59599       1.312554  57.54635       1.883799  55.69928       1.829839  1.226479       1.745345  
1 1 1 15  2  24 o 29.13249 0.5918208 8.476459       0.3444559 9.045071       0.4972176 7.951740       0.4776404 1.876122       1.183642  
1 1 1 15  2  25 f 69.51240 0.8217479 48.35083       1.142433  48.37242       1.616532  48.32929       1.614758  0.3097534E-01  1.643496  
1 1 1 15  2  26 o 48.15117 0.6607506 23.19574       0.6363091 23.02227       0.8979238 23.37073       0.9018430 -0.3617401     1.321501  
1 1 1 15  2  27 f 80.07903 0.9193368 64.08389       1.470544  62.10917       2.019227  66.31408       2.145872  -2.620316      1.838674  
1 1 1 15  2  28 o 28.96658 0.6010830 8.391960       0.3481140 8.698860       0.4967658 8.095836       0.4879673 1.040648       1.202166  
1 1 1 15  2  29 o 53.48800 0.6990837 28.62460       0.7477789 29.03008       1.066551  28.23257       1.048713  0.7448616      1.398167  
1 1 1 15  2  30 o 26.34591 0.6105326 6.934428       0.3214544 6.636387       0.4446467 7.260750       0.4652642 -1.184242      1.221065  
1 1 1 15  2  31 o 47.99246 0.6705613 22.96943       0.6424147 24.40762       0.9445990 21.73180       0.8762676 2.785007       1.341123  
1 1 1 15  2  32 o 31.05099 0.6215727 9.579047       0.3845866 8.656693       0.5197535 10.69510       0.5717295 -3.280104      1.243145  
1 1 1 15  2  33 o 36.75291 0.6294147 13.51865       0.4626037 13.52377       0.6493980 13.51337       0.6591517 0.1459122E-01  1.258829  
1 1 1 15  2  34 o 96.11485 1.077816  92.12318       2.063315  87.39922       2.769881  98.01232       3.092666  -5.492531      2.155632  
1 1 1 15  2  35 o 26.09489 0.7310470 6.799852       0.3729478 6.907144       0.5959697 6.730793       0.4781400 0.3302078      1.462094  
1 1 1 15  2  36 f 37.84954 0.9420001 14.35485       0.7117115 13.16699       0.9928893 15.61021       1.020711  -3.224861      1.884000  
1 1 1 15  2  37 o 35.63155 0.6906822 12.74178       0.4881442 12.93730       0.6526456 12.49352       0.7354243 0.6288490      1.381364  
1 1 1 15  2  38 o 47.53571 0.6963286 22.63157       0.6619829 22.48918       0.9311036 22.77712       0.9413509 -0.3020248     1.392657  
1 1 1 15  2  39 o 5.035655 1.462042  0.6257660E-01  0.2406469 0.1886603      0.3384773 -0.6629998E-01 0.3422056 0.9301395      2.924085  
1 1 1 15  2  40 o 34.73705 0.6694452 12.08281       0.4649973 11.85007       0.6497573 12.32714       0.6657450 -0.6852303     1.338890  
1 1 1 15  2  41 o 25.79930 0.8138645 6.401043       0.4038948 5.753469       0.4967968 7.663523       0.6936595 -3.678513      1.627729  
1 1 1 15  2  42 o 17.32026 1.235846  2.961940       0.4234259 2.641198       0.5513131 3.423251       0.6611776 -2.237074      2.471691  
1 1 1 15  2  43 o 30.48033 0.7062826 9.304585       0.4302159 9.841310       0.6178515 8.799433       0.5994021 1.706852       1.412565  
1 1 1 15  2  44 o 27.51125 0.7251421 7.570369       0.3980140 6.856959       0.5495985 8.357144       0.5771667 -2.722967      1.450284  
1 1 1 15  2  45 o 33.54120 0.7089062 11.26062       0.4751207 10.80398       0.6553172 11.76667       0.6898569 -1.430485      1.417812  
1 1 1 15  2  46 o 48.43181 0.7404034 23.45345       0.7160138 25.00589       1.048635  22.09749       0.9800355 2.992409       1.480807  
1 1 1 15  2  47 o 32.60757 0.7275369 10.64156       0.4738497 10.12627       0.6504884 11.22414       0.6916538 -1.676767      1.455074  
1 1 1 15  2  48 f 62.47580 0.8327045 39.11116       1.039008  40.98038       1.519614  37.47018       1.423819  2.791195       1.665409  
1 1 1 15  2  49 o 42.27634 1.009271  17.66479       0.8175278 19.16137       1.393749  16.87978       1.009418  2.601959       2.018543  
1 1 1 15  2  50 o 31.75734 1.114299  10.43199       0.6823359 11.35397       0.8812921 9.052147       1.078133  3.676689       2.228599  
1 1 1 15  3  0  o 182.1769 1.913444  332.0799       6.971676  331.5252       9.842265  332.6384       9.876702  -0.3051453     3.826888  
1 1 1 15  3  1  o 144.9409 1.537019  210.0766       4.454000  213.2733       6.400388  207.0749       6.202107  2.136414       3.074037  
1 1 1 15  3  2  o 83.59650 0.9339010 69.86422       1.560904  68.77203       2.173999  71.02632       2.242498  -1.347916      1.867802  
1 1 1 15  3  3  o 201.5953 2.112696  406.6068       8.515669  412.3446       12.22247  401.1942       11.87116  2.760590       4.225392  
1 1 1 15  3  4  o 129.2913 1.379895  167.1656       3.567075  164.8954       4.971323  169.5747       5.121229  -1.808075      2.759791  
1 1 1 15  3  5  o 34.90117 0.5562560 11.94721       0.3845182 14.26904       0.5926630 10.25939       0.5053058 5.743927       1.112512  
1 1 1 15  3  6  o 404.2470 4.204804  1640.093       33.98474  1663.335       48.80362  1618.212       47.35258  5.532288       8.409609  
1 1 1 15  3  7  o 119.1562 1.578059  141.3655       3.513239  144.0108       6.222856  140.1279       4.256484  1.604721       3.156119  
1 1 1 15  3  8  o 256.5821 3.792170  659.9946       19.44863  648.0464       26.95781  672.9638       28.08589  -4.822037      7.584341  
1 1 1 15  3  9  o 171.3710 2.557876  293.9731       8.763596  289.6040       12.19426  298.6399       12.60304  -2.628189      5.115753  
1 1 1 15  3  10 o 227.5916 2.953867  507.2204       12.24416  491.2959       14.46107  547.5458       23.01214  -12.15332      5.907735  
1 1 1 15  3  11 o 147.4036 1.566012  217.3301       4.615241  220.4194       6.627830  214.4220       6.430514  2.031616       3.132024  
1 1 1 15  3  12 o 114.9936 1.241426  132.0085       2.850203  127.8200       3.895840  136.8323       4.180823  -3.915367      2.482852  
1 1 1 15  3  13 o 101.4402 1.111497  101.9873       2.238536  110.5384       3.423944  95.60347       2.958377  7.356529       2.222994  
1 1 1 15  3  14 o 46.91378 0.9382098 22.01377       0.8802630 22.29782       1.248779  21.73324       1.241017  0.6016388      1.876420  
1 1 1 15  3  15 o 107.2803 1.168466  114.4146       2.494599  122.1455       3.760558  108.3392       3.333682  6.429245       2.336932  
1 1 1 15  3  16 o 122.7983 1.320222  150.8165       3.241307  148.6141       4.513384  153.1621       4.657828  -1.849632      2.640445  
1 1 1 15  3  17 o 55.69043 0.7124663 31.01503       0.7934768 31.36062       1.131668  30.68084       1.112859  0.6101532      1.424933  
1 1 1 15  3  18 o 182.6626 1.923518  334.1565       7.027082  334.5390       9.949195  333.7757       9.926433  0.2083130      3.847035  
1 1 1 15  3  19 o 136.5271 1.459193  185.8665       3.971840  178.2097       5.367603  195.1327       5.904809  -6.185181      2.918387  
1 1 1 15  3  20 o 204.9987 2.152759  421.1276       8.824952  425.3124       12.61103  417.1118       12.35368  1.990524       4.305518  
1 1 1 15  3  21 o 93.10365 1.038717  85.95882       1.920862  93.18867       2.931462  80.51892       2.542821  6.795700       2.077435  
1 1 1 15  3  22 f 9.689501 1.290303  0.8610769      0.2368501 0.5591695      0.2913153 1.449827       0.4068104 -4.691389      2.580607  
1 1 1 15  3  23 o 106.4519 1.639899  113.3806       3.487401  117.0210       5.081335  110.1389       4.794974  3.219719       3.279798  
1 1 1 15  3  24 o 117.1801 1.537462  139.1476       3.470568  131.6618       5.654296  143.6726       4.396090  -5.185547      3.074925  
1 1 1 15  3  25 o 33.77171 0.5956101 11.40155       0.4021438 11.83067       0.5766819 10.99535       0.5610738 1.236404       1.191220  
1 1 1 15  3  26 o 66.37938 0.7999591 43.99211       1.060272  45.80509       1.554529  42.41509       1.449840  2.550194       1.599918  
1 1 1 15  3  27 o 88.41077 0.9957618 78.24587       1.760458  77.32384       2.463853  79.20758       2.516303  -1.062996      1.991524  
1 1 1 15  3  28 o 52.97808 0.6991959 27.96715       0.7390449 26.42600       1.003343  29.79503       1.092700  -3.176674      1.398392  
1 1 1 15  3  29 o 29.89481 0.6041202 8.935203       0.3609888 9.378646       0.5176489 8.515388       0.5036685 1.443386       1.208240  
1 1 1 15  3  30 o 49.75034 0.6791267 24.74434       0.6753548 24.05075       0.9360673 25.49735       0.9753342 -1.452389      1.358253  
1 1 1 15  3  31 o 31.90485 0.6195165 10.12538       0.3941221 9.247298       0.5346883 11.17007       0.5832134 -3.011446      1.239033  
1 1 1 15  3  32 o 74.51080 0.8795891 55.58159       1.310382  54.74379       1.826196  56.47077       1.881354  -1.155464      1.759178  
1 1 1 15  3  33 o 105.5365 1.168197  111.6902       2.465663  112.1039       3.504065  111.2846       3.470132  0.3852463      2.336394  
1 1 1 15  3  34 o 29.44668 0.9316636 8.691000       0.5467232 8.662003       0.8073739 8.715559       0.7429983 -0.9591675E-01 1.863327  
1 1 1 15  3  35 o 18.57084 0.9605193 3.262722       0.3465587 2.542072       0.4351640 4.512309       0.5730249 -5.292505      1.921039  
1 1 1 15  3  36 o 67.85468 0.8294322 46.10131       1.125081  47.20988       1.622003  45.07336       1.561906  1.569176       1.658864  
1 1 1 15  3  37 o 27.20570 0.6676581 7.366354       0.3615380 8.468066       0.5327038 6.425539       0.4922706 3.750929       1.335316  
1 1 1 15  3  38 o 47.04378 0.6976477 22.00880       0.6538897 24.07972       0.9779782 20.33454       0.8793452 3.972298       1.395295  
1 1 1 15  3  39 o 34.66573 0.6626340 12.00812       0.4588389 12.82455       0.6667540 11.27366       0.6324005 2.233952       1.325268  
1 1 1 15  3  40 o 39.64782 0.6723472 15.60073       0.5306275 14.14762       0.7106320 17.43191       0.7977403 -4.133835      1.344694  
1 1 1 15  3  41 o 17.77638 0.8311859 3.170133       0.2953415 3.207875       0.4122693 3.130344       0.4233011 0.2194080      1.662372  
1 1 1 15  3  42 o 30.80092 1.011972  9.470914       0.6195142 10.03198       0.9397495 9.039664       0.8238894 1.592796       2.023945  
1 1 1 15  3  43 f 28.57143 0.9868146 8.285391       0.5564348 8.832288       0.7449877 7.595339       0.8368304 2.180323       1.973629  
1 1 1 15  3  44 o 42.67455 0.7496222 18.26892       0.6359300 18.20256       0.9522090 18.32234       0.8544018 -0.1532898     1.499244  
1 1 1 15  3  45 f 31.62561 0.7247388 10.03714       0.4580575 10.41961       0.6450303 9.648041       0.6505876 1.220619       1.449478  
1 1 1 15  3  46 o 72.50447 0.9008604 52.75102       1.305360  51.28156       1.804091  54.36564       1.891097  -2.111015      1.801721  
1 1 1 15  3  47 o 52.44696 0.7654964 27.48793       0.8010695 29.43666       1.183251  25.83897       1.088445  3.413666       1.530993  
1 1 1 15  3  48 o 28.45509 1.168942  8.271455       0.6564798 7.267664       0.9698786 9.120189       0.8918299 -3.275818      2.337885  
1 1 1 15  3  49 o 25.18999 0.8206444 6.379564       0.4128484 6.804404       0.5860642 5.961068       0.5816720 1.673044       1.641289  
1 1 1 15  3  50 o 19.75383 2.231670  4.026508       0.7387451 4.242256       1.490938  3.956304       0.8504876 0.4586411E-01  4.463340  
1 1 1 15  4  0  o 117.0252 1.257694  136.5891       2.936650  131.5779       3.991297  142.5039       4.336209  -4.665565      2.515388  
1 1 1 15  4  1  o 215.3221 2.251706  463.7486       9.691251  472.8260       13.99264  455.3800       13.43534  4.043091       4.503412  
1 1 1 15  4  2  o 110.8685 1.199668  122.0916       2.645732  115.1985       3.527297  130.9581       4.000473  -7.103485      2.399335  
1 1 1 15  4  3  o 198.2311 2.077451  393.2982       8.236280  392.7601       11.63021  393.8395       11.66559  -0.2717285     4.154902  
1 1 1 15  4  4  o 275.5326 3.521776  761.1458       18.29192  761.3904       31.69451  761.0236       22.39871  -0.1787415     7.043552  
1 1 1 15  4  5  o 278.5829 4.116399  778.4393       22.91977  763.4481       31.72602  794.8041       33.14758  -5.581177      8.232799  
1 1 1 15  4  6  o 47.70273 0.9185904 22.68964       0.8747120 21.66549       1.192775  23.88126       1.286606  -2.321777      1.837181  
1 1 1 15  4  7  o 131.9267 1.756545  168.0161       4.153347  160.8390       4.841147  188.0289       8.084010  -10.26051      3.513091  
1 1 1 15  4  8  o 94.10298 1.036208  88.53120       1.949484  90.09927       2.803478  87.06299       2.712735  1.612549       2.072415  
1 1 1 15  4  9  o 208.9621 2.188023  435.4862       9.114769  418.0118       12.31314  456.6691       13.55690  -9.227982      4.376047  
1 1 1 15  4  10 o 85.56981 0.9568620 73.10393       1.635181  70.90143       2.240789  75.61278       2.391556  -2.751694      1.913724  
1 1 1 15  4  11 o 121.7996 1.311225  146.9672       3.168433  159.4760       4.865069  137.7540       4.175291  8.908958       2.622449  
1 1 1 15  4  12 o 138.0986 1.471146  190.2342       4.052936  198.6971       5.993638  183.1043       5.501383  5.638779       2.942292  
1 1 1 15  4  13 o 114.4296 1.236312  130.6544       2.823537  136.0916       4.157590  126.0000       3.846678  4.405716       2.472623  
1 1 1 15  4  14 f 183.7900 1.933066  337.4051       7.092010  326.6303       9.678411  349.8992       10.42206  -6.315109      3.866133  
1 1 1 15  4  15 o 187.0068 1.966432  350.0717       7.353519  346.5435       10.28843  353.7563       10.51414  -1.923569      3.932863  
1 1 1 15  4  16 o 67.71239 0.8052692 45.56227       1.085676  48.93639       1.631856  42.88279       1.454210  4.468391       1.610538  
1 1 1 15  4  17 o 198.8129 2.087686  395.8964       8.300962  397.5096       11.78995  394.3105       11.68937  0.8017731      4.175371  
1 1 1 15  4  18 o 85.91196 0.9695591 73.80519       1.665372  72.62923       2.318998  75.05754       2.393135  -1.412170      1.939118  
1 1 1 15  4  19 o 74.36724 0.8639796 55.22099       1.283348  57.25970       1.874252  53.42140       1.760902  2.579041       1.727959  
1 1 1 15  4  20 o 80.50712 0.9193915 64.69575       1.477846  62.46032       2.020093  67.26974       2.167684  -2.984436      1.838783  
1 1 1 15  4  21 o 56.03918 0.7173505 31.41094       0.8039531 31.12019       1.129974  31.70900       1.144080  -0.5251350     1.434701  
1 1 1 15  4  22 o 188.9383 1.991506  357.6233       7.519486  365.8936       10.89645  350.1039       10.38994  4.153900       3.983012  
1 1 1 15  4  23 o 43.73963 0.6374062 19.13348       0.5574718 18.94360       0.7786631 19.33315       0.7984787 -0.4449463     1.274812  
1 1 1 15  4  24 o 125.0020 1.652910  156.1087       3.879641  155.0843       4.725096  158.2283       6.796545  -1.146645      3.305820  
1 1 1 15  4  25 o 64.50043 1.087248  41.40752       1.396339  39.21623       1.871211  44.16101       2.097558  -3.824505      2.174495  
1 1 1 15  4  26 o 76.89806 1.082777  58.73564       1.562549  60.59689       2.752423  57.85054       1.898058  1.747353       2.165554  
1 1 1 15  4  27 o 109.5732 1.198383  120.2601       2.625806  118.9864       3.674544  121.5893       3.753621  -1.183418      2.396767  
1 1 1 15  4  28 o 33.77817 0.6058434 11.36927       0.4084496 10.54632       0.5580296 12.31896       0.5994636 -2.622719      1.211687  
1 1 1 15  4  29 o 61.33260 0.7631862 37.58640       0.9351100 36.37464       1.285758  38.94706       1.362463  -2.093990      1.526372  
1 1 1 15  4  30 o 109.9450 1.205200  121.0633       2.648448  123.7127       3.828011  118.6306       3.668051  2.300400       2.410399  
1 1 1 15  4  31 o 57.03806 0.7341366 32.56512       0.8374701 32.42789       1.182361  32.70327       1.186372  -0.2412148     1.468273  
1 1 1 15  4  32 o 67.68867 1.030339  44.64362       1.266460  48.94092       2.400483  42.98612       1.490827  4.333817       2.060678  
1 1 1 15  4  33 o 52.93940 1.028949  27.95939       1.085470  29.56083       1.620601  26.65638       1.461821  2.730736       2.057897  
1 1 1 15  4  34 o 13.33762 1.047624  1.792727       0.2489947 0.9634153      0.3289993 2.904613       0.3809484 -7.385114      2.095249  
1 1 1 15  4  35 o 44.24972 0.6669623 19.59250       0.5900542 20.31046       0.8451130 18.90962       0.8242050 1.581558       1.333925  
1 1 1 15  4  36 o 13.92637 0.9504437 1.969113       0.2613895 2.210901       0.3586881 1.695296       0.3817059 1.853445       1.900887  
1 1 1 15  4  37 o 38.38590 0.6597474 14.73068       0.5060660 15.54085       0.7321491 13.98949       0.7002848 2.018398       1.319495  
1 1 1 15  4  38 o 6.679558 1.475671  0.4225699      0.2418700 0.6845366      0.3246246 0.9566425E-01  0.3626349 2.813553       2.951342  
1 1 1 15  4  39 o 40.92655 0.6780522 16.75453       0.5545968 16.11055       0.7668976 17.46054       0.8029829 -1.646030      1.356104  
1 1 1 15  4  40 o 24.01864 0.7117980 5.759683       0.3409606 5.184808       0.4683048 6.408184       0.4973906 -2.543873      1.423596  
1 1 1 15  4  41 o 76.70543 0.9180133 58.98505       1.407393  57.54787       1.947523  60.55600       2.036144  -1.948936      1.836027  
1 1 1 15  4  42 o 11.68529 1.227252  1.379513       0.2857285 1.491876       0.3998012 1.262207       0.4085015 0.9844160      2.454503  
1 1 1 15  4  43 o 64.37582 0.8278732 41.32632       1.061671  44.43366       1.590362  38.82834       1.425921  4.329666       1.655746  
1 1 1 15  4  44 o 15.28819 1.343889  2.195135       0.3961660 1.730804       0.4888545 3.083523       0.6761873 -4.379088      2.687777  
1 1 1 15  4  45 f 36.15650 0.8067629 13.08160       0.5663157 13.27792       0.9219260 12.96264       0.7176799 0.4041443      1.613526  
1 1 1 15  4  46 o 33.49390 0.7212506 11.23796       0.4827971 11.83499       0.6960947 10.68453       0.6701978 1.713566       1.442501  
1 1 1 15  4  47 o 11.10530 1.932942  1.329469       0.4687307 0.5631353      0.7025601 1.944222       0.6292524 -5.453657      3.865883  
1 1 1 15  4  48 o 18.01017 0.9436569 3.264204       0.3397346 3.335322       0.4765209 3.190687       0.4844928 0.4032822      1.887314  
1 1 1 15  4  49 o 27.95304 0.7894760 7.840539       0.4410692 7.642225       0.6102807 8.057403       0.6381868 -0.7370796     1.578952  
1 1 1 15  4  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  5  0  o 303.8196 3.162382  924.8081       19.21587  924.6464       27.17375  924.9698       27.17694  -0.5316162E-01 6.324764  
1 1 1 15  5  1  o 35.12916 0.7387407 11.92362       0.4930232 13.66086       0.8657897 11.08994       0.5997656 3.657875       1.477481  
1 1 1 15  5  2  o 94.89272 1.490482  90.04048       2.827525  91.64190       4.070502  88.54724       3.930613  1.629082       2.980964  
1 1 1 15  5  3  f 273.8302 4.046166  752.2886       22.15357  761.8943       31.76283  743.1893       30.91415  3.388916       8.092333  
1 1 1 15  5  4  o 115.8115 1.551436  131.5803       3.283006  127.9394       3.889354  140.6038       6.122902  -5.440353      3.102872  
1 1 1 15  5  5  o 52.62891 0.6618688 27.30875       0.6904635 24.90626       0.9056286 30.64389       1.067028  -5.450161      1.323738  
1 1 1 15  5  6  o 93.88524 1.034484  86.50017       1.913812  79.12428       2.464892  97.69590       3.036808  -9.885918      2.068968  
1 1 1 15  5  7  o 43.29516 0.6013101 18.49743       0.5170110 20.98978       0.7898961 16.62939       0.6838448 5.035160       1.202620  
1 1 1 15  5  8  o 98.80429 1.080690  97.64498       2.135480  98.12047       3.033455  97.17783       3.006771  0.4767990      2.161381  
1 1 1 15  5  9  o 95.87585 1.054051  91.94291       2.021089  92.31970       2.872607  91.57355       2.844110  0.3888626      2.108103  
1 1 1 15  5  10 o 49.50515 0.6453215 24.48059       0.6382889 23.89181       0.8792953 25.13644       0.9280285 -1.256790      1.290643  
1 1 1 15  5  11 o 199.5840 2.092808  398.7293       8.352684  395.2133       11.69796  402.3866       11.93043  -1.792557      4.185615  
1 1 1 15  5  12 o 101.6272 1.112664  103.2058       2.259593  105.8466       3.278367  100.8159       3.118704  2.473312       2.225328  
1 1 1 15  5  13 o 41.02802 0.6018691 16.71785       0.4919439 15.53150       0.6610323 18.19054       0.7364973 -3.240044      1.203738  
1 1 1 15  5  14 o 181.7695 1.913040  330.4881       6.949528  323.7481       9.609857  337.8771       10.06196  -3.877075      3.826081  
1 1 1 15  5  15 o 236.3340 2.472144  559.4730       11.68191  552.4900       16.29687  566.8535       16.75405  -3.025803      4.944287  
1 1 1 15  5  16 o 237.3660 2.482674  564.4490       11.78237  556.8825       16.41906  572.4820       16.91769  -3.270477      4.965349  
1 1 1 15  5  17 o 156.1768 2.351805  244.4186       7.344970  246.6730       10.49021  242.2506       10.28747  1.409027       4.703609  
1 1 1 15  5  18 o 64.60020 0.7807660 41.73555       1.008639  42.24411       1.439756  41.24538       1.413467  0.7726822      1.561532  
1 1 1 15  5  19 f 62.26497 0.7613527 38.70718       0.9468836 37.41867       1.299432  40.16594       1.382627  -2.205029      1.522705  
1 1 1 15  5  20 o 149.5867 1.591222  223.7287       4.754234  230.7568       6.940767  217.5166       6.525441  4.412155       3.182443  
1 1 1 15  5  21 o 67.30107 0.8033174 45.30517       1.081140  44.83590       1.514112  45.79331       1.544258  -0.7107315     1.606635  
1 1 1 15  5  22 o 52.66411 0.6907653 27.59675       0.7254277 29.73144       1.077510  25.82705       0.9810767 3.705120       1.381531  
1 1 1 15  5  23 o 131.5529 1.412804  173.3154       3.716314  171.2702       5.189293  175.4685       5.324644  -1.589767      2.825609  
1 1 1 15  5  24 o 22.89321 0.6460861 5.246189       0.2922669 6.375112       0.4237131 4.221540       0.4036706 4.703085       1.292172  
1 1 1 15  5  25 o 76.05983 0.8829938 57.89889       1.343203  58.01926       1.898866  57.77834       1.900288  0.1584244      1.765988  
1 1 1 15  5  26 o 20.53887 0.7943046 4.078823       0.3186180 3.604207       0.4013068 4.888196       0.5240585 -3.121449      1.588609  
1 1 1 15  5  27 o 101.7354 1.578715  103.7677       3.210223  101.9204       4.447457  105.7770       4.638445  -1.881409      3.157430  
1 1 1 15  5  28 o 14.67062 0.9237904 2.255924       0.2578034 1.538695       0.3788809 2.874292       0.3518014 -4.553152      1.847581  
1 1 1 15  5  29 o 26.67797 0.6269191 7.089594       0.3334502 7.929791       0.4884893 6.356494       0.4562949 2.947586       1.253838  
1 1 1 15  5  30 o 21.92777 0.8994880 4.774975       0.3503342 4.901165       0.6781973 4.729047       0.4091509 0.3786964      1.798976  
1 1 1 15  5  31 o 81.62947 1.349501  66.61925       2.196203  69.86418       3.265049  63.93797       2.967964  3.602577       2.699002  
1 1 1 15  5  32 o 96.86685 1.173689  93.99285       2.247358  93.46526       2.957139  94.71419       3.457741  -0.6035156     2.347378  
1 1 1 15  5  33 f 34.32134 0.6320860 11.55748       0.4295775 9.950082       0.5635784 13.78633       0.6636411 -5.583670      1.264172  
1 1 1 15  5  34 o 40.17164 0.6509518 16.15468       0.5229796 16.18405       0.7370572 16.12491       0.7421790 0.7389832E-01  1.301904  
1 1 1 15  5  35 o 43.86427 0.6695972 19.26458       0.5873923 19.22986       0.8258312 19.30014       0.8356524 -0.7945633E-01 1.339194  
1 1 1 15  5  36 o 72.93279 0.8758985 53.26565       1.276812  54.60040       1.846373  52.04239       1.767573  1.746391       1.751797  
1 1 1 15  5  37 o 19.35846 0.7858899 3.706145       0.2994550 2.871888       0.4011595 4.756036       0.4500275 -4.862120      1.571780  
1 1 1 15  5  38 o 48.63940 0.6990103 23.61917       0.6787069 25.01834       0.9979618 22.41512       0.9257716 2.669716       1.398021  
1 1 1 15  5  39 o 16.82944 0.8617607 2.884013       0.2845982 3.465284       0.3982097 2.277108       0.4068961 3.531041       1.723521  
1 1 1 15  5  40 o 34.59606 0.6684051 11.97328       0.4621208 12.62909       0.6669793 11.36780       0.6408770 1.820423       1.336810  
1 1 1 15  5  41 o 15.97778 0.9550303 2.613554       0.2973009 3.246880       0.4169598 1.958590       0.4240232 4.032467       1.910061  
1 1 1 15  5  42 o 45.64976 0.7110128 20.70549       0.6462434 23.01320       0.9703447 18.86602       0.8663275 4.530190       1.422026  
1 1 1 15  5  43 o 15.70357 1.429642  2.447877       0.4199230 2.613349       0.7496516 2.372215       0.5069171 0.7072630      2.859284  
1 1 1 15  5  44 o 9.696747 1.457330  0.9730064      0.2812801 0.6432453      0.3896000 1.332031       0.4065196 -3.597374      2.914661  
1 1 1 15  5  45 o 29.81701 0.9947538 8.953096       0.5870339 9.034595       0.7781810 8.845474       0.8942510 0.3399296      1.989508  
1 1 1 15  5  46 o 55.95958 1.486123  31.68770       1.659629  31.05466       2.264000  32.42300       2.440010  -1.166443      2.972247  
1 1 1 15  5  47 o 12.23133 1.378533  1.583360       0.3173420 2.021494       0.4424568 1.119213       0.4554020 3.865619       2.757067  
1 1 1 15  5  48 o 36.64927 0.7273352 13.46969       0.5328984 12.94973       0.7433294 14.01951       0.7643755 -1.455868      1.454670  
1 1 1 15  5  49 o 8.513844 1.757600  0.7501521      0.3170397 0.6900951      0.4289570 0.8224552      0.4706634 -0.6867771     3.515200  
1 1 1 15  5  50 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  6  0  o 148.2918 2.232683  219.7874       6.613004  213.7971       9.076570  226.5649       9.654570  -4.295364      4.465367  
1 1 1 15  6  1  o 73.91465 1.121396  55.13527       1.641767  59.43283       2.231605  50.06510       2.423918  6.338501       2.242791  
1 1 1 15  6  2  o 166.4130 1.755542  277.1212       5.842835  277.8326       8.285966  276.4174       8.240256  0.4245605      3.511083  
1 1 1 15  6  3  o 120.0097 1.288611  144.0775       3.092905  144.2351       4.380715  143.9209       4.367373  0.1307907      2.577222  
1 1 1 15  6  4  o 136.6737 1.458176  184.9491       3.952433  172.9211       5.200605  201.3958       6.081328  -10.40672      2.916352  
1 1 1 15  6  5  o 232.1171 2.425836  539.4825       11.26148  540.6115       15.96105  538.3634       15.89146  0.4829254      4.851671  
1 1 1 15  6  6  o 90.07212 0.9980827 80.83539       1.792669  77.33419       2.425177  85.05294       2.661737  -4.282928      1.996165  
1 1 1 15  6  7  o 75.02269 0.8581070 55.95120       1.281681  52.92834       1.716290  59.76230       1.927114  -4.553146      1.716214  
1 1 1 15  6  8  o 123.3802 1.322760  152.2774       3.263808  153.3351       4.649563  151.2500       4.582611  0.8442154      2.645520  
1 1 1 15  6  9  o 214.0797 2.241778  457.6795       9.576756  442.0913       13.03111  475.9860       14.12169  -7.894562      4.483556  
1 1 1 15  6  10 o 187.1693 1.966970  350.5677       7.361127  346.3181       10.26844  355.0604       10.55801  -2.330139      3.933940  
1 1 1 15  6  11 o 72.21223 0.8408979 52.15518       1.214451  51.86844       1.713651  52.44450       1.721361  -0.3988037     1.681796  
1 1 1 15  6  12 o 58.38617 0.7189631 34.02811       0.8386176 35.51317       1.221703  32.70485       1.153226  2.404457       1.437926  
1 1 1 15  6  13 o 230.4348 2.410425  530.4523       11.08215  511.7881       15.06042  552.4924       16.36588  -8.798035      4.820849  
1 1 1 15  6  14 o 190.8198 2.006254  364.2791       7.651055  356.8911       10.58066  372.3762       11.07683  -4.046219      4.012509  
1 1 1 15  6  15 o 354.8559 3.699095  1264.834       26.24702  1250.585       36.65810  1279.823       37.59752  -4.077484      7.398190  
1 1 1 15  6  16 o 137.4261 1.469027  188.9283       4.036143  185.9529       5.616194  192.1065       5.804392  -2.235077      2.938054  
1 1 1 15  6  17 o 97.64007 1.079868  95.24523       2.106382  92.62605       2.896905  98.18336       3.068220  -2.842957      2.159735  
1 1 1 15  6  18 o 31.14278 0.9759306 9.709676       0.6066331 10.49837       0.8629094 8.939002       0.8529942 2.503426       1.951861  
1 1 1 15  6  19 f 129.4621 1.389960  167.6980       3.597567  170.5315       5.174541  165.0470       5.005141  2.113739       2.779919  
1 1 1 15  6  20 o 120.1877 1.298609  144.4766       3.119331  141.4375       4.314928  147.8035       4.514646  -2.642616      2.597218  
1 1 1 15  6  21 o 29.26399 0.5956941 8.566204       0.3483387 8.572696       0.4826680 8.559148       0.5032255 0.2344894E-01  1.191388  
1 1 1 15  6  22 o 120.9179 1.307069  146.2499       3.158072  142.7856       4.355706  150.0895       4.585531  -3.011574      2.614138  
1 1 1 15  6  23 o 68.53250 0.8172917 46.64846       1.114385  43.78710       1.486611  50.31873       1.683680  -4.760071      1.634583  
1 1 1 15  6  24 o 69.03864 0.8224655 47.55658       1.133204  45.70032       1.542602  49.73256       1.670173  -2.916626      1.644931  
1 1 1 15  6  25 o 79.87619 0.9204232 63.22407       1.459633  69.03899       2.234088  58.89325       1.928030  6.339272       1.840846  
1 1 1 15  6  26 o 77.13146 0.8962945 59.53039       1.382277  60.51670       1.983100  58.59839       1.927744  1.241287       1.792589  
1 1 1 15  6  27 o 73.50317 0.8646592 53.61977       1.263575  58.24360       1.918196  50.07534       1.679441  5.546440       1.729318  
1 1 1 15  6  28 o 69.49023 1.636020  0.000000       0.000000  ?              ?         48.38514       2.273748  ?              ?         
1 1 1 15  6  29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  6  30 o 13.08282 1.229255  1.736211       0.3061610 1.784459       0.3816612 1.649123       0.5127618 0.5270824      2.458510  
1 1 1 15  6  31 o 79.66954 0.9238888 63.55996       1.471780  64.47876       2.108924  62.68758       2.054948  1.120628       1.847778  
1 1 1 15  6  32 f 64.46233 0.7963292 41.56879       1.026053  42.73175       1.482701  40.50007       1.421359  1.727425       1.592658  
1 1 1 15  6  33 o 47.16901 0.6804774 22.26994       0.6418790 22.49355       0.9160030 22.05420       0.8997239 0.4648056      1.360955  
1 1 1 15  6  34 o 39.24054 0.6532590 15.41204       0.5126106 15.78367       0.7302293 15.05099       0.7197657 0.9329643      1.306518  
1 1 1 15  6  35 o 23.09437 0.6872012 5.342488       0.3172194 5.392944       0.4422427 5.289014       0.4552730 0.2259369      1.374402  
1 1 1 15  6  36 o 13.85898 0.9374902 1.902972       0.2582637 1.668549       0.3450438 2.201626       0.3894559 -1.918722      1.874980  
1 1 1 15  6  37 o 7.997151 1.477218  0.6652685      0.2376826 0.6423221      0.3182337 0.6942170      0.3574399 -0.3153062     2.954436  
1 1 1 15  6  38 o 13.00811 1.018149  1.727387       0.2601008 2.025985       0.3595709 1.399658       0.3767028 2.409662       2.036298  
1 1 1 15  6  39 o 19.78021 0.7693208 3.920250       0.3036347 3.903810       0.4150329 3.939181       0.4453801 -0.8623505E-01 1.538642  
1 1 1 15  6  40 o 45.08184 0.6892663 20.36282       0.6214415 20.62433       0.8809264 20.10377       0.8767902 0.5769348      1.378533  
1 1 1 15  6  41 o 22.90722 0.7441867 5.263690       0.3406671 5.390730       0.4761148 5.130423       0.4876440 0.5694675      1.488373  
1 1 1 15  6  42 o 11.64538 1.244526  1.420594       0.2751947 1.635626       0.3708865 1.157191       0.4104876 2.222265       2.489052  
1 1 1 15  6  43 o 7.369020 1.573164  0.4924579      0.2739157 0.1617569      0.3719851 0.8841730      0.4048488 -3.591472      3.146327  
1 1 1 15  6  44 o 23.65951 1.172856  5.463679       0.5229111 6.155937       0.9306900 5.144339       0.6321176 2.072897       2.345711  
1 1 1 15  6  45 o 35.87439 0.7667227 12.74280       0.5417815 12.00005       0.6992194 13.85866       0.8570317 -2.566288      1.533445  
1 1 1 15  6  46 f 26.41410 0.8553523 7.067050       0.4399227 7.277838       0.5660022 6.745398       0.6991809 1.033022       1.710705  
1 1 1 15  6  47 f 24.57340 0.9244809 6.076365       0.4525686 5.399759       0.6334916 6.781638       0.6467722 -2.809000      1.848962  
1 1 1 15  6  48 o 7.028241 1.692016  0.3986883      0.3002824 0.1286492      0.4013536 0.7420463      0.4525717 -2.857587      3.384031  
1 1 1 15  6  49 o 18.30221 0.9771200 3.354415       0.3567445 3.106272       0.4845358 3.648163       0.5271838 -1.470234      1.954240  
1 1 1 15  7  0  o 180.2771 2.692069  325.5207       9.706052  327.0487       13.79350  324.0220       13.66033  0.8365631      5.384137  
1 1 1 15  7  1  o 42.14476 0.9019936 17.12544       0.7461370 21.53709       1.201482  14.35600       0.9519486 8.517731       1.803987  
1 1 1 15  7  2  o 143.6863 2.169798  206.6775       6.235390  206.5657       8.807609  206.7899       8.828774  -0.7766724E-01 4.339595  
1 1 1 15  7  3  o 145.1865 2.190772  210.2808       6.342945  201.9672       8.586946  220.2644       9.410002  -6.287079      4.381544  
1 1 1 15  7  4  o 187.4432 2.795253  351.0467       10.45619  339.0726       14.23574  365.0745       15.40833  -6.910461      5.590506  
1 1 1 15  7  5  o 106.8715 1.658855  114.1102       3.541511  117.7366       5.161999  110.8853       4.867842  3.201569       3.317710  
1 1 1 15  7  6  f 120.2189 1.300123  142.9745       3.097822  156.2147       4.782124  133.4011       4.066358  9.480705       2.600247  
1 1 1 15  7  7  o 184.2644 1.938916  339.7905       7.144477  343.0440       10.20611  336.6641       10.00454  1.727814       3.877832  
1 1 1 15  7  8  o 78.12694 0.8869773 60.53861       1.377538  65.58044       2.092542  56.68251       1.830012  5.692436       1.773955  
1 1 1 15  7  9  f 192.9782 2.026121  372.6505       7.817156  367.3347       10.88265  378.3173       11.23608  -2.838928      4.052242  
1 1 1 15  7  10 o 77.89086 0.8863285 60.66478       1.380383  59.92977       1.926223  61.44073       1.979167  -0.9694672     1.772657  
1 1 1 15  7  11 o 17.08336 0.6056904 2.879873       0.2055520 2.559725       0.2726747 3.301269       0.3128346 -2.170120      1.211381  
1 1 1 15  7  12 o 137.6418 1.467762  188.9857       4.030018  181.8805       5.468123  197.4338       5.962532  -5.642105      2.935525  
1 1 1 15  7  13 o 71.35194 0.8312975 50.79560       1.184072  48.97287       1.615809  52.90968       1.740158  -2.757553      1.662595  
1 1 1 15  7  14 o 47.45863 0.6473614 22.20968       0.6096132 25.14278       0.9366093 20.05381       0.8029815 5.360435       1.294723  
1 1 1 15  7  15 o 103.7436 1.135203  107.6452       2.354843  109.2046       3.375101  106.1660       3.287143  1.463150       2.270407  
1 1 1 15  7  16 o 68.33759 0.8078218 46.65281       1.102941  45.46555       1.518641  47.97807       1.604483  -1.837257      1.615644  
1 1 1 15  7  17 o 157.1838 1.666947  247.2520       5.238051  251.5993       7.542763  243.2025       7.279684  2.663879       3.333893  
1 1 1 15  7  18 o 73.80714 0.8594121 54.48777       1.268516  55.13942       1.807694  53.85557       1.780521  0.8693085      1.718824  
1 1 1 15  7  19 o 45.50782 0.9809769 20.72187       0.8927006 20.71034       1.273691  20.73301       1.251539  -0.2536392E-01 1.961954  
1 1 1 15  7  20 o 91.49571 1.022196  83.72993       1.869758  82.35411       2.599639  85.20438       2.691214  -1.555374      2.044393  
1 1 1 15  7  21 o 110.6019 1.205947  122.4421       2.667191  121.2286       3.732908  123.7079       3.812301  -1.118233      2.411894  
1 1 1 15  7  22 o 53.69209 0.7041506 28.78433       0.7553374 30.10695       1.099597  27.60264       1.039363  2.330757       1.408301  
1 1 1 15  7  23 o 13.58404 0.8134133 1.852548       0.2195332 1.905354       0.2964624 1.788435       0.3266641 0.4311848      1.626827  
1 1 1 15  7  24 o 61.41235 0.7622845 37.06017       0.9255450 42.24097       1.449033  33.48991       1.202899  7.117641       1.524569  
1 1 1 15  7  25 o 55.45512 0.7161206 30.76836       0.7941980 31.17203       1.130845  30.37546       1.115640  0.7177277      1.432241  
1 1 1 15  7  26 o 86.67635 1.221941  75.06348       1.976477  75.86590       3.501569  74.68828       2.394383  0.6172791      2.443883  
1 1 1 15  7  27 f 50.96014 1.029843  25.98807       1.049126  26.68415       1.512307  25.34229       1.456635  1.313663       2.059685  
1 1 1 15  7  28 o 95.95428 1.305084  93.75519       2.419378  98.43042       3.093072  86.38631       3.883204  6.330956       2.610169  
1 1 1 15  7  29 o 31.87874 0.6240546 10.07845       0.3960560 8.983915       0.5330287 11.42758       0.5917831 -3.830610      1.248109  
1 1 1 15  7  30 o 75.69418 1.233571  57.21594       1.862174  60.66897       2.763621  54.34441       2.520202  4.157372       2.467141  
1 1 1 15  7  31 o 57.51971 1.014950  32.94466       1.163584  35.75417       1.735326  30.64961       1.568416  4.425350       2.029899  
1 1 1 15  7  32 o 23.56200 0.6660862 5.557593       0.3138513 5.589592       0.4413289 5.524850       0.4464204 0.1376534      1.332172  
1 1 1 15  7  33 o 81.78783 0.9474763 66.97181       1.548710  65.38132       2.141175  68.71680       2.242768  -2.030823      1.894953  
1 1 1 15  7  34 o 38.19080 0.6513902 14.60279       0.4975039 14.63511       0.6996782 14.56973       0.7075413 0.8609009E-01  1.302780  
1 1 1 15  7  35 o 54.51336 0.7323907 29.74775       0.7982135 29.16922       1.110756  30.36555       1.147846  -1.094425      1.464781  
1 1 1 15  7  36 o 57.55277 0.7588634 33.18349       0.8734801 32.92295       1.233018  33.44597       1.237570  -0.4539948     1.517727  
1 1 1 15  7  37 o 44.28669 0.6830674 19.58321       0.6040645 20.91596       0.8835789 18.41367       0.8277081 2.820419       1.366135  
1 1 1 15  7  38 o 50.99681 0.7169622 25.97370       0.7298854 24.72704       0.9956109 27.42218       1.073175  -2.635044      1.433924  
1 1 1 15  7  39 o 53.42314 0.7355628 28.59944       0.7858915 28.47247       1.105702  28.72907       1.117225  -0.2389793     1.471126  
1 1 1 15  7  40 o 65.15028 0.8212972 42.56269       1.070137  42.33020       1.508069  42.79850       1.518792  -0.3581085     1.642594  
1 1 1 15  7  41 o 26.10008 0.7101664 6.828838       0.3704916 6.867773       0.5160354 6.787419       0.5322491 0.1557541      1.420333  
1 1 1 15  7  42 o 42.14973 0.6924972 17.74584       0.5827468 16.60689       0.7973652 19.05166       0.8537812 -2.893238      1.384994  
1 1 1 15  7  43 o 24.42936 1.207109  6.026507       0.5854734 5.881516       0.8768447 6.143152       0.7864761 -0.5548420     2.414218  
1 1 1 15  7  44 o 31.87809 1.029215  10.14549       0.6240963 10.46484       1.069119  9.980413       0.7686532 0.7005978      2.058431  
1 1 1 15  7  45 o 56.37848 0.7815841 31.85625       0.8807016 30.72991       1.218950  33.08636       1.273865  -2.081108      1.563168  
1 1 1 15  7  46 o 32.17488 0.7239522 10.35919       0.4648289 11.38358       0.6748731 9.434591       0.6411569 3.023338       1.447904  
1 1 1 15  7  47 o 24.25971 0.8863083 5.879922       0.4176905 5.769622       0.5286707 6.063148       0.6813790 -0.5740108     1.772617  
1 1 1 15  7  48 o 16.92656 1.297749  2.875366       0.4225045 2.813074       0.5269113 2.987546       0.7070923 -0.4567528     2.595498  
1 1 1 15  7  49 o 24.85608 1.365962  5.871837       0.6491533 7.618684       1.140804  5.035367       0.7894211 5.076975       2.731924  
1 1 1 15  8  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  8  1  o 43.26402 1.325531  0.000000       0.000000  ?              ?         18.72138       1.146956  ?              ?         
1 1 1 15  8  2  o 318.3451 4.703454  1016.090       29.88842  983.9986       40.78077  1053.334       43.93218  -10.77460      9.406909  
1 1 1 15  8  3  o 150.9504 2.277785  228.0136       6.873928  224.4090       9.560795  231.8706       9.889963  -2.465607      4.555571  
1 1 1 15  8  4  o 127.7444 1.951243  163.0448       4.977758  158.4296       6.820242  168.3054       7.281612  -3.858063      3.902486  
1 1 1 15  8  5  o 167.7059 2.515125  280.6699       8.410439  269.4846       11.37590  294.1541       12.49037  -7.330978      5.030250  
1 1 1 15  8  6  o 151.6898 2.287358  230.3689       6.938597  232.4011       9.902304  228.4087       9.725405  1.312363       4.574716  
1 1 1 15  8  7  o 30.69128 0.9501559 9.169270       0.5736003 11.91009       0.8903580 7.224614       0.7499738 7.632021       1.900312  
1 1 1 15  8  8  o 159.6443 2.401768  255.2085       7.667457  257.7857       10.95632  252.7349       10.73394  1.576859       4.803535  
1 1 1 15  8  9  o 141.0715 1.503149  199.1008       4.240417  201.1770       6.059257  197.1079       5.936344  1.440369       3.006298  
1 1 1 15  8  10 o 61.56105 0.7466699 37.68863       0.9154115 35.71037       1.228011  40.16274       1.373317  -3.615093      1.493340  
1 1 1 15  8  11 o 107.0173 1.167540  113.3548       2.477845  123.6992       3.814139  105.8010       3.259312  8.355247       2.335079  
1 1 1 15  8  12 o 121.5538 1.309615  147.7548       3.182454  145.2016       4.424328  150.4921       4.581105  -2.173882      2.619231  
1 1 1 15  8  13 f 178.7194 1.883138  319.4689       6.725313  327.3188       9.755810  312.3602       9.283794  4.174133       3.766276  
1 1 1 15  8  14 o 153.3731 1.626390  235.1488       4.983180  229.1507       6.853571  241.8764       7.258401  -4.139725      3.252779  
1 1 1 15  8  15 o 153.5910 1.629988  235.8331       5.001053  229.6643       6.874117  242.7694       7.289238  -4.255951      3.259976  
1 1 1 15  8  16 o 201.8552 2.120143  408.1267       8.556227  402.3365       11.91294  414.2961       12.29686  -2.949219      4.240285  
1 1 1 15  8  17 o 75.13923 0.8687028 56.48035       1.305454  56.43395       1.840898  56.52728       1.851530  -0.6193542E-01 1.737406  
1 1 1 15  8  18 o 150.6240 1.602796  226.6385       4.818090  218.8315       6.561754  235.7721       7.097338  -5.605438      3.205593  
1 1 1 15  8  19 o 130.2231 1.398495  169.7958       3.642275  170.3470       5.167697  169.2517       5.134372  0.4194641      2.796990  
1 1 1 15  8  20 o 83.78828 1.372382  70.29158       2.299500  69.58167       3.221093  71.02940       3.283780  -0.8616409     2.744764  
1 1 1 15  8  21 o 91.15810 1.020072  83.17319       1.859755  83.28526       2.630906  83.06127       2.629277  0.1228027      2.040144  
1 1 1 15  8  22 o 39.24749 0.6184301 15.39100       0.4851191 14.90487       0.6714109 15.92202       0.7017160 -1.295193      1.236860  
1 1 1 15  8  23 o 169.2133 1.793996  286.8570       6.063797  295.4125       8.843950  279.2666       8.330105  4.737244       3.587993  
1 1 1 15  8  24 o 47.19160 0.8532324 21.85319       0.7295927 23.32032       1.379853  21.28386       0.8595784 2.138802       1.706465  
1 1 1 15  8  25 o 87.26607 1.428336  76.25531       2.490690  74.11316       3.435256  78.62941       3.616461  -2.575798      2.856672  
1 1 1 15  8  26 o 28.25983 0.8496238 7.866517       0.4153446 7.743414       0.4775128 8.249106       0.8418185 -0.8799267     1.699248  
1 1 1 15  8  27 o 112.8835 1.234767  127.5322       2.784494  131.4572       4.056857  124.0362       3.828772  3.271980       2.469535  
1 1 1 15  8  28 o 43.29578 0.6546204 18.67413       0.5655747 20.27784       0.8321434 17.29731       0.7710347 3.439812       1.309241  
1 1 1 15  8  29 o 126.2767 1.367039  159.9375       3.451478  162.1764       4.953989  157.8257       4.811389  1.710266       2.734079  
1 1 1 15  8  30 o 40.33854 0.6404233 16.13144       0.5142109 14.58933       0.6886769 18.07439       0.7730167 -4.315964      1.280847  
1 1 1 15  8  31 o 40.38474 0.7668172 16.51530       0.5985792 17.09950       0.7624171 15.57659       0.9664481 1.896904       1.533634  
1 1 1 15  8  32 o 73.01481 1.201774  53.23555       1.748054  50.77131       2.350372  56.28590       2.614991  -3.749878      2.403548  
1 1 1 15  8  33 o 32.85046 0.7519825 10.79074       0.4914083 10.96354       0.7366621 10.65220       0.6596161 0.4685783      1.503965  
1 1 1 15  8  34 o 56.26670 0.7427859 31.64122       0.8347388 30.43852       1.144460  33.00831       1.220172  -2.277775      1.485572  
1 1 1 15  8  35 o 49.73367 0.7014744 24.77135       0.6977208 24.75537       0.9831361 24.78757       0.9903558 -0.3182602E-01 1.402949  
1 1 1 15  8  36 o 40.09801 0.6626669 16.09219       0.5312204 16.73714       0.7609665 15.47913       0.7419141 1.567177       1.325334  
1 1 1 15  8  37 o 37.28205 0.6655757 13.85516       0.4950892 12.81204       0.6739734 15.07777       0.7296612 -3.033875      1.331151  
1 1 1 15  8  38 o 89.24588 1.026121  79.92911       1.830869  78.52567       2.547640  81.42811       2.632947  -1.614204      2.052242  
1 1 1 15  8  39 o 69.24838 0.8536822 48.01901       1.181067  46.51844       1.625245  49.69825       1.719282  -2.284431      1.707364  
1 1 1 15  8  40 o 18.12733 0.8377784 3.276067       0.3028254 3.016477       0.4101165 3.587277       0.4490457 -1.569572      1.675557  
1 1 1 15  8  41 o 16.68205 1.310088  2.525373       0.3882461 3.437686       0.7946555 2.239320       0.4449690 3.514353       2.620175  
1 1 1 15  8  42 o 25.50668 0.9487712 6.412942       0.4386182 6.252570       0.5170820 6.824388       0.8282290 -1.069773      1.897542  
1 1 1 15  8  43 f 5.873168 1.447870  0.3933521E-02  0.2648537 -0.5189301     0.3503187 0.7015468      0.4046472 -4.684492      2.895739  
1 1 1 15  8  44 o 64.12291 0.8323028 41.16051       1.065482  39.39763       1.454553  43.20168       1.565158  -2.947914      1.664606  
1 1 1 15  8  45 o 55.66692 0.7837726 31.06193       0.8717788 32.07026       1.266918  30.15512       1.201448  1.709007       1.567545  
1 1 1 15  8  46 f 26.05769 0.7761337 6.801690       0.4036661 6.217093       0.5584187 7.441497       0.5841933 -2.344995      1.552267  
1 1 1 15  8  47 o 29.61193 0.7374521 8.798150       0.4363800 8.738734       0.6039337 8.863060       0.6312405 -0.2051315     1.474904  
1 1 1 15  8  48 o 36.17290 0.7404093 13.02983       0.5333477 11.99741       0.7150978 14.32413       0.8006704 -3.200443      1.480819  
1 1 1 15  8  49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  9  0  o 86.01892 1.961848  74.02447       3.375121  74.02447       3.375121  ?              ?         ?              ?         
1 1 1 15  9  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  9  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  9  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  9  4  o 212.2833 4.469690  0.000000       0.000000  ?              ?         451.7781       18.97681  ?              ?         
1 1 1 15  9  5  o 183.2156 2.739446  336.3198       10.03798  337.6699       14.25163  334.9907       14.14070  0.7284088      5.478892  
1 1 1 15  9  6  o 238.2498 3.534278  569.0630       16.82949  558.1887       23.29562  580.9338       24.33969  -4.738907      7.068557  
1 1 1 15  9  7  o 176.3309 2.642930  311.2632       9.313583  305.2238       12.87736  317.8875       13.48654  -3.575241      5.285860  
1 1 1 15  9  8  o 136.1711 2.074193  184.2218       5.612876  173.7855       7.450254  197.9202       8.535592  -8.838882      4.148386  
1 1 1 15  9  9  o 193.6207 2.892608  375.8367       11.20136  376.2289       15.85542  375.4460       15.82685  0.2012939      5.785216  
1 1 1 15  9  10 o 49.25929 1.013280  23.88706       0.9899898 27.53617       1.522646  21.21485       1.302991  6.413902       2.026560  
1 1 1 15  9  11 o 137.8751 1.471692  190.1851       4.057397  192.4245       5.807577  188.0498       5.670915  1.584167       2.943384  
1 1 1 15  9  12 o 75.57027 0.8739348 56.66940       1.313538  61.34134       1.989177  53.05700       1.749134  5.478600       1.747870  
1 1 1 15  9  13 o 203.0605 2.132527  412.4172       8.648922  401.2470       11.86781  425.0695       12.63065  -5.843262      4.265054  
1 1 1 15  9  14 o 59.08907 0.7367583 33.92496       0.8533356 30.23976       1.083508  39.94435       1.384770  -8.208405      1.473517  
1 1 1 15  9  15 o 173.1201 1.828045  300.1308       6.328778  302.6190       9.028290  297.7268       8.874186  1.408325       3.656091  
1 1 1 15  9  16 o 98.77681 1.091604  97.37325       2.151966  93.93903       2.931216  101.3883       3.169399  -3.766037      2.183207  
1 1 1 15  9  17 o 158.5037 1.682974  251.3443       5.329340  258.0756       7.756057  245.3238       7.335190  4.007629       3.365948  
1 1 1 15  9  18 o 36.38741 0.6017090 13.24521       0.4377831 13.60698       0.6198311 12.88511       0.6184090 0.9919014      1.203418  
1 1 1 15  9  19 o 37.69894 0.6047447 14.02864       0.4528822 16.35148       0.6855292 12.22981       0.6032715 5.465260       1.209489  
1 1 1 15  9  20 f 47.81737 0.6579415 22.57033       0.6240116 20.62775       0.8205021 25.23536       0.9610385 -4.815109      1.315883  
1 1 1 15  9  21 o 45.54898 0.7151273 20.16065       0.6273893 18.69497       0.7759768 22.92733       1.066127  -4.639023      1.430255  
1 1 1 15  9  22 o 45.37920 0.8505251 18.73067       0.6641217 24.38616       1.420340  17.14824       0.7513105 7.954739       1.701050  
1 1 1 15  9  23 o 74.76904 1.272532  56.00732       1.902745  56.35400       2.712536  55.67149       2.669751  0.4541092      2.545065  
1 1 1 15  9  24 o 69.31767 1.044902  47.17270       1.320195  45.88409       1.561443  50.40337       2.472369  -3.217384      2.089804  
1 1 1 15  9  25 o 27.75721 0.6106622 7.722763       0.3383150 8.006023       0.4694487 7.416687       0.4879890 1.062138       1.221324  
1 1 1 15  9  26 o 23.98851 0.6337876 5.776516       0.3030576 6.204433       0.4236476 5.328038       0.4337059 1.827032       1.267575  
1 1 1 15  9  27 o 77.84258 0.9068095 60.67247       1.411760  60.74771       1.994000  60.59683       1.999071  0.9716797E-01  1.813619  
1 1 1 15  9  28 o 77.03516 0.9020254 59.29011       1.387521  61.76139       2.033604  57.13762       1.897917  2.993668       1.804051  
1 1 1 15  9  29 o 68.75247 0.8344586 47.26447       1.146219  45.89573       1.577723  48.79442       1.668043  -2.102814      1.668917  
1 1 1 15  9  30 o 18.75580 0.7273784 3.454138       0.2683758 2.679021       0.3556725 4.478933       0.4089644 -4.795555      1.454757  
1 1 1 15  9  31 o 48.19927 0.9060592 23.27593       0.8729043 23.29289       1.213888  23.25777       1.256143  0.3953171E-01  1.812118  
1 1 1 15  9  32 o 18.19025 0.7435475 3.304984       0.2697437 3.208434       0.3658177 3.420036       0.3993321 -0.5794487     1.487095  
1 1 1 15  9  33 o 25.54822 0.7519616 6.220228       0.3671126 5.546500       0.4473197 7.610230       0.6425154 -4.024269      1.503923  
1 1 1 15  9  34 f 7.193287 1.598915  0.5229301      0.2593606 0.6238231      0.3300085 0.3599320      0.4194555 1.098115       3.197830  
1 1 1 15  9  35 o 29.16519 0.6819741 8.506272       0.3973867 8.784188       0.5782043 8.257483       0.5470669 0.9005547      1.363948  
1 1 1 15  9  36 o 38.17178 0.6611446 14.59743       0.5045876 14.84901       0.7091423 14.33943       0.7181319 0.6682167      1.322289  
1 1 1 15  9  37 o 50.59056 0.7148989 25.62618       0.7230795 26.30472       1.039782  24.99074       1.006221  1.295437       1.429798  
1 1 1 15  9  38 o 62.46059 0.7987419 38.99957       0.9960603 37.29380       1.360392  40.97081       1.462420  -2.932190      1.597484  
1 1 1 15  9  39 o 63.70800 0.8173988 40.66045       1.040953  39.49186       1.443958  41.92491       1.502016  -1.902596      1.634798  
1 1 1 15  9  40 o 45.64546 1.067666  20.92083       0.9722255 21.22082       1.430991  20.66365       1.324989  0.5924377      2.135331  
1 1 1 15  9  41 o 18.38841 0.8526511 3.404411       0.3113612 3.493893       0.4194387 3.294581       0.4646932 0.5486946      1.705302  
1 1 1 15  9  42 o 21.85303 0.7751958 4.801217       0.3377171 4.958729       0.4641744 4.624061       0.4922715 0.7695827      1.550392  
1 1 1 15  9  43 o 42.01097 0.7039357 17.67216       0.5908532 17.18452       0.8135648 18.21644       0.8595124 -1.221947      1.407871  
1 1 1 15  9  44 f 19.64850 0.8367136 3.885869       0.3279500 4.130075       0.4584976 3.630049       0.4692728 1.274246       1.673427  
1 1 1 15  9  45 o 7.677927 2.161042  0.3369602      0.4918257 0.2947463      0.7748995 0.3654372      0.6364518 0.3417263      4.322085  
1 1 1 15  9  46 o 40.02687 0.7189324 16.06348       0.5753220 16.62772       0.8257917 15.53131       0.8019868 1.365704       1.437865  
1 1 1 15  9  47 o 20.19217 0.8696800 4.076400       0.3491999 3.503191       0.4764777 4.741518       0.5132573 -3.058365      1.739360  
1 1 1 15  9  48 o 26.19735 0.9879452 6.969836       0.5029856 7.181337       0.6452660 6.642312       0.8029772 1.066545       1.975890  
1 1 1 15  10 0  o 247.1412 3.663884  612.1189       18.09176  597.9626       24.92749  627.8755       26.29877  -6.007599      7.327769  
1 1 1 15  10 1  o 190.9758 2.851451  365.4425       10.89052  367.6564       15.50244  363.2854       15.30256  1.139282       5.702902  
1 1 1 15  10 2  f 205.3332 3.058930  420.9554       12.51939  403.5789       16.89359  442.1237       18.64603  -9.337234      6.117860  
1 1 1 15  10 3  o 37.92964 1.334966  14.38992       1.012695  14.38992       1.012695  ?              ?         ?              ?         
1 1 1 15  10 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  10 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  10 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  10 7  o 221.9097 4.666999  0.000000       0.000000  ?              ?         494.0542       20.71305  ?              ?         
1 1 1 15  10 8  o 59.71654 1.101817  35.63778       1.314946  34.78622       1.817427  36.57326       1.904883  -1.495209      2.203634  
1 1 1 15  10 9  o 148.3459 2.247389  219.1608       6.636290  232.9369       9.984674  208.2593       8.882056  8.289215       4.494778  
1 1 1 15  10 10 o 43.76797 0.9878271 19.16160       0.8645774 19.09858       1.211476  19.22702       1.234236  -0.1464615     1.975654  
1 1 1 15  10 11 o 58.52478 1.097958  33.79942       1.273999  30.89680       1.672533  37.81136       1.966328  -5.903137      2.195915  
1 1 1 15  10 12 o 92.40697 1.027177  85.18638       1.894082  82.05444       2.576556  88.86898       2.793899  -3.683983      2.054354  
1 1 1 15  10 13 o 109.7173 1.195196  120.3870       2.621529  122.6747       3.775436  118.2571       3.642919  2.010674       2.390392  
1 1 1 15  10 14 o 217.0836 2.278677  471.8027       9.882328  484.6133       14.38564  460.3550       13.59896  5.557449       4.557354  
1 1 1 15  10 15 o 112.5940 1.223955  126.3149       2.746305  120.6800       3.700279  133.2254       4.097794  -5.561958      2.447910  
1 1 1 15  10 16 o 67.27525 0.8025011 44.95459       1.074701  48.55364       1.618392  42.11563       1.437372  4.781685       1.605002  
1 1 1 15  10 17 o 92.08270 1.028561  84.83404       1.893979  85.86708       2.706684  83.84295       2.651160  1.097733       2.057121  
1 1 1 15  10 18 o 190.8893 2.011944  365.4500       7.680328  368.6049       10.95966  362.4056       10.76617  1.613403       4.023889  
1 1 1 15  10 19 o 75.87314 0.8832959 57.53174       1.339102  55.98438       1.845746  59.25133       1.945762  -2.150192      1.766592  
1 1 1 15  10 20 o 90.38792 1.466306  81.30331       2.637254  87.28082       3.980073  76.62463       3.521217  5.872215       2.932612  
1 1 1 15  10 21 o 119.8083 1.860604  143.7070       4.450500  138.7224       6.080128  149.4601       6.532060  -4.451271      3.721208  
1 1 1 15  10 22 o 47.22211 0.6576534 22.06113       0.6167651 20.29950       0.8153831 24.41698       0.9429275 -4.356167      1.315307  
1 1 1 15  10 23 f 88.27845 0.9985322 77.88909       1.760632  75.44823       2.415563  80.65543       2.571573  -2.942276      1.997064  
1 1 1 15  10 24 o 56.20640 0.7230606 31.51118       0.8110141 30.14827       1.103132  33.11440       1.196436  -2.635380      1.446121  
1 1 1 15  10 25 o 62.37387 0.7723486 38.77510       0.9607499 36.87501       1.300318  41.05941       1.425739  -3.349258      1.544697  
1 1 1 15  10 26 o 81.31952 0.9366868 66.13507       1.521896  64.46539       2.096603  67.99471       2.212656  -2.164101      1.873374  
1 1 1 15  10 27 o 64.71326 0.7964731 41.64938       1.026227  39.19665       1.374373  44.74007       1.542794  -4.275127      1.592946  
1 1 1 15  10 28 o 26.13540 0.6278892 6.830144       0.3275512 6.749666       0.4481087 6.922480       0.4799875 -0.3292427     1.255778  
1 1 1 15  10 29 f 47.41833 0.6851986 22.44691       0.6488004 21.48332       0.8876320 23.55229       0.9506956 -2.178589      1.370397  
1 1 1 15  10 30 o 78.52892 0.9242913 61.66447       1.449674  64.00000       2.118816  59.60895       1.987752  2.786301       1.848583  
1 1 1 15  10 31 o 54.32755 0.7258534 29.54828       0.7886207 29.17953       1.107451  29.92764       1.123274  -0.6875420     1.451707  
1 1 1 15  10 32 o 66.94943 0.8207579 44.89226       1.098808  44.28018       1.537118  45.53189       1.571344  -0.9321365     1.641516  
1 1 1 15  10 33 f 41.98172 0.6607667 17.64535       0.5547688 17.83971       0.7898458 17.45609       0.7793818 0.4561615      1.321533  
1 1 1 15  10 34 o 17.64146 0.7800474 3.077063       0.2722784 2.508845       0.3646083 3.793431       0.4093902 -3.636987      1.560095  
1 1 1 15  10 35 o 13.13150 1.138744  1.698262       0.2954043 1.527419       0.3829189 1.949401       0.4642641 -1.595620      2.277488  
1 1 1 15  10 36 o 27.90863 0.7695324 7.762763       0.4278476 8.280049       0.6404583 7.345866       0.5749627 1.667063       1.539065  
1 1 1 15  10 37 o 17.23265 0.8400083 3.012485       0.2853094 3.552770       0.4000342 2.453127       0.4070338 3.191370       1.680017  
1 1 1 15  10 38 o 40.62142 0.9808208 16.47716       0.7659113 16.88663       1.280125  16.24886       0.9558781 0.7393074      1.961642  
1 1 1 15  10 39 o 72.49611 1.101708  53.54963       1.519483  55.29410       1.895629  50.41423       2.541376  3.470673       2.203415  
1 1 1 15  10 40 f 38.54621 0.6822106 14.87996       0.5257293 15.37976       0.7556354 14.41105       0.7319187 1.253799       1.364421  
1 1 1 15  10 41 o 59.30640 0.7874342 35.26253       0.9336962 36.00648       1.341484  34.56347       1.300368  1.210865       1.574868  
1 1 1 15  10 42 o 44.94488 0.7103642 20.24261       0.6383705 19.75616       0.8904733 20.75694       0.9156367 -1.110054      1.420728  
1 1 1 15  10 43 o 12.63432 1.250332  1.740546       0.2861624 2.244401       0.3850156 1.118672       0.4277369 4.624309       2.500664  
1 1 1 15  10 44 f 18.01095 0.8923709 3.263051       0.3206989 3.310006       0.4406049 3.210149       0.4676784 0.2824802      1.784742  
1 1 1 15  10 45 o 37.69123 0.7174331 14.25216       0.5407942 14.23431       0.7682075 14.26969       0.7614346 -0.4800415E-01 1.434866  
1 1 1 15  10 46 o 20.53860 0.8607233 4.254632       0.3511587 4.852104       0.4988116 3.667576       0.4944440 2.882776       1.721447  
1 1 1 15  10 47 o 14.23553 1.236253  2.170329       0.3216666 2.891671       0.4458848 1.387512       0.4644962 5.436095       2.472507  
1 1 1 15  10 48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  11 0  o 131.1373 2.004174  172.0665       5.254181  169.3635       7.303515  174.9661       7.564419  -2.131256      4.008348  
1 1 1 15  11 1  f 182.3569 2.732006  333.1813       9.963259  335.7115       14.19539  330.7248       13.98727  1.361847       5.464012  
1 1 1 15  11 2  o 100.1907 1.585996  100.4101       3.177028  98.88091       4.425954  102.0357       4.563180  -1.572227      3.171993  
1 1 1 15  11 3  f 163.8057 2.465221  267.8403       8.051974  257.3148       10.89272  280.5205       11.95580  -7.056641      4.930443  
1 1 1 15  11 4  o 196.0533 2.926832  385.3300       11.47586  383.6113       16.14553  387.0849       16.31442  -0.8806915     5.853664  
1 1 1 15  11 5  f 146.6949 2.227234  215.3592       6.530204  211.3383       9.042086  219.7428       9.441033  -2.855011      4.454467  
1 1 1 15  11 6  o 54.47826 1.480465  29.68902       1.613063  29.68902       1.613063  ?              ?         ?              ?         
1 1 1 15  11 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  11 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  11 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  11 10 o 64.04190 1.420018  41.84541       1.756321  37.72140       2.802677  44.51214       2.253734  -5.312702      2.840036  
1 1 1 15  11 11 o 126.1810 1.943444  159.4770       4.904414  159.0319       6.910058  159.9288       6.962012  -0.3538589     3.886888  
1 1 1 15  11 12 o 168.9186 2.545131  286.1184       8.596853  289.4596       12.29916  282.9265       12.02118  1.922302       5.090262  
1 1 1 15  11 13 f 129.9071 1.396905  168.6717       3.624980  173.7821       5.284786  164.1307       4.981627  3.707291       2.793811  
1 1 1 15  11 14 o 61.95683 0.7587733 37.86591       0.9312823 34.76018       1.219030  42.21914       1.443242  -6.016056      1.517547  
1 1 1 15  11 15 o 131.1040 1.407025  172.0457       3.688437  174.3405       5.286860  169.8697       5.148370  1.700699       2.814050  
1 1 1 15  11 16 o 53.88967 0.6943722 29.04467       0.7483118 29.49467       1.067505  28.60992       1.049276  0.8205757      1.388744  
1 1 1 15  11 17 o 36.01596 0.8022638 12.25360       0.4998929 14.43665       1.039811  11.59738       0.5700970 3.931412       1.604528  
1 1 1 15  11 18 o 106.5171 1.680061  113.7437       3.579106  113.7820       5.061955  113.7053       5.061284  0.3601074E-01  3.360122  
1 1 1 15  11 19 o 31.79445 0.8259650 9.379264       0.4297639 8.886583       0.4787416 11.42429       0.9753665 -3.977289      1.651930  
1 1 1 15  11 20 f 115.6739 1.257810  134.0186       2.909870  133.5590       4.101198  134.4845       4.129303  -0.3987885     2.515621  
1 1 1 15  11 21 f 95.55145 1.063941  91.42393       2.033207  91.63387       2.882266  91.21601       2.868561  0.2180405      2.127883  
1 1 1 15  11 22 o 102.3650 1.632098  105.1035       3.340358  106.6505       4.796230  103.6464       4.654898  1.456940       3.264196  
1 1 1 15  11 23 o 82.73573 0.9478382 68.45784       1.567116  66.72485       2.163725  70.36990       2.272767  -2.197884      1.895676  
1 1 1 15  11 24 o 55.55024 0.7217115 30.86369       0.8014168 30.34619       1.112367  31.42222       1.155620  -0.9669037     1.443423  
1 1 1 15  11 25 o 74.42300 0.8754462 55.44448       1.302872  54.97483       1.823937  55.93379       1.861722  -0.6424484     1.750892  
1 1 1 15  11 26 o 35.56657 0.6182156 12.39407       0.4350368 10.79462       0.5677162 14.66931       0.6771089 -5.443134      1.236431  
1 1 1 15  11 27 o 49.71606 0.6891878 24.73631       0.6851845 24.56635       0.9599804 24.91280       0.9782731 -0.3475800     1.378376  
1 1 1 15  11 28 o 43.23016 0.8491277 18.23565       0.7226098 16.14073       0.9269856 21.48031       1.153648  -6.162258      1.698255  
1 1 1 15  11 29 o 61.74111 0.7812357 38.06057       0.9628365 36.48575       1.312976  39.89270       1.416187  -2.752865      1.562471  
1 1 1 15  11 30 o 53.86219 0.7280858 29.04760       0.7843165 29.24705       1.111372  28.84971       1.107023  0.3685760      1.456172  
1 1 1 15  11 31 o 46.71237 0.6835791 21.71388       0.6362084 20.37920       0.8553652 23.36651       0.9518119 -3.191425      1.367158  
1 1 1 15  11 32 o 49.87620 0.6992658 24.90621       0.6974033 25.19639       0.9979914 24.62925       0.9749659 0.5668793      1.398532  
1 1 1 15  11 33 o 71.33524 0.8623399 50.80742       1.226852  53.52271       1.819544  48.54388       1.661296  3.474983       1.724680  
1 1 1 15  11 34 o 6.365674 1.464026  0.3946824      0.2164631 0.4739518      0.2873392 0.2906632      0.3291538 0.8733978      2.928052  
1 1 1 15  11 35 f 14.15763 0.9157372 1.977260       0.2552269 1.539079       0.3397953 2.544499       0.3866101 -3.545383      1.831474  
1 1 1 15  11 36 o 15.14764 1.710363  2.673141       0.4215277 1.770649       0.7946572 3.026517       0.4972517 -4.430363      3.420726  
1 1 1 15  11 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  11 38 o 60.94620 0.8451412 36.83900       1.012906  39.46445       1.607343  35.10960       1.304528  3.535091       1.690282  
1 1 1 15  11 39 o 15.39835 0.9029750 2.380864       0.2768935 2.389023       0.3749964 2.371083       0.4105933 0.6351089E-01  1.805950  
1 1 1 15  11 40 f 48.17323 0.7231377 23.08666       0.6936999 25.26052       1.041898  21.35565       0.9297349 4.038651       1.446275  
1 1 1 15  11 41 o 52.35410 0.7480338 27.48731       0.7832485 27.52420       1.106354  27.45025       1.109012  0.7097626E-01  1.496068  
1 1 1 15  11 42 o 23.82819 0.7658854 5.707031       0.3607589 6.879155       0.5206100 4.624267       0.5003718 4.728563       1.531771  
1 1 1 15  11 43 o 20.24333 0.8234827 4.076880       0.3313950 3.512603       0.4473904 4.762883       0.4932910 -3.080387      1.646965  
1 1 1 15  11 44 o 32.21489 0.7060483 10.40930       0.4548794 10.55081       0.6470473 10.27103       0.6396105 0.4330864      1.412097  
1 1 1 15  11 45 o 12.94613 1.254318  1.693073       0.3040992 1.128747       0.4050469 2.422075       0.4603674 -5.123042      2.508636  
1 1 1 15  11 46 o 14.21466 1.131228  2.058118       0.3185141 2.282515       0.4390736 1.808865       0.4627526 1.672752       2.262455  
1 1 1 15  11 47 o 34.00435 1.154509  11.49834       0.7462442 12.22044       1.288653  11.13401       0.9153396 1.492210       2.309017  
1 1 1 15  12 0  o 134.4623 2.054421  180.9568       5.523064  183.6717       7.932533  178.4024       7.694488  1.954239       4.108841  
1 1 1 15  12 1  o 133.7222 2.043418  179.0052       5.464060  177.1761       7.642592  180.9178       7.814987  -1.395309      4.086835  
1 1 1 15  12 2  o 40.37237 0.9908850 16.02726       0.7932297 14.02379       1.044571  18.75636       1.219147  -5.859261      1.981770  
1 1 1 15  12 3  o 189.3284 2.832323  359.3384       10.72432  361.3248       15.25213  357.3961       15.08224  1.032196       5.664646  
1 1 1 15  12 4  o 36.26015 0.9965246 12.98193       0.7178103 11.64848       0.9510328 14.74721       1.094240  -4.271275      1.993049  
1 1 1 15  12 5  o 117.8122 1.827352  138.4552       4.293252  132.8201       5.812075  145.2227       6.369257  -5.251671      3.654704  
1 1 1 15  12 6  o 161.1826 2.434967  260.2061       7.846335  264.8007       11.29083  255.9148       10.91167  2.745010       4.869933  
1 1 1 15  12 7  o 111.7076 1.748152  124.0013       3.882820  116.8933       5.165726  133.2327       5.886970  -7.296669      3.496304  
1 1 1 15  12 8  o 98.95704 1.579739  98.01705       3.126363  98.76694       4.449123  97.28560       4.394080  0.7472229      3.159477  
1 1 1 15  12 9  o 151.1900 3.244967  229.1125       9.812133  229.1125       9.812133  ?              ?         ?              ?         
1 1 1 15  12 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  12 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  12 12 f 106.8013 2.388044  0.000000       0.000000  ?              ?         114.2433       5.100926  ?              ?         
1 1 1 15  12 13 o 41.51532 1.017171  17.06040       0.8395424 15.56180       1.115640  19.01707       1.274799  -4.157928      2.034342  
1 1 1 15  12 14 o 50.07220 0.8738315 25.48259       0.8067898 24.04576       1.435644  26.14580       0.9753766 -2.106174      1.747663  
1 1 1 15  12 15 f 27.21862 1.090592  7.460003       0.5893763 8.397424       0.8272135 6.493517       0.8399402 3.497789       2.181185  
1 1 1 15  12 16 o 89.18507 1.456538  78.95106       2.581103  85.92255       3.932226  73.67344       3.421329  6.845367       2.913076  
1 1 1 15  12 17 o 81.45714 0.9313780 66.36861       1.516634  65.26969       2.106487  67.55140       2.185375  -1.398170      1.862756  
1 1 1 15  12 18 o 109.4319 1.197258  119.4614       2.612291  114.4507       3.531587  125.5155       3.881883  -5.041229      2.394516  
1 1 1 15  12 19 o 29.49911 0.5747612 8.635692       0.3376038 7.974137       0.4522929 9.468008       0.5073187 -2.530867      1.149522  
1 1 1 15  12 20 o 100.6152 1.114031  101.2994       2.240257  103.7121       3.240960  99.09178       3.100133  2.289207       2.228062  
1 1 1 15  12 21 o 123.0192 1.332663  151.1321       3.269134  144.9670       4.423307  158.5532       4.853021  -5.495918      2.665326  
1 1 1 15  12 22 o 47.10948 0.6641095 22.19061       0.6254706 23.03840       0.8974150 21.38975       0.8722211 1.748993       1.328219  
1 1 1 15  12 23 o 39.17033 0.6193320 15.34406       0.4847560 15.17671       0.6699387 15.52797       0.7023029 -0.4473228     1.238664  
1 1 1 15  12 24 o 30.69745 0.6047086 9.406087       0.3703510 10.38467       0.5370568 8.518785       0.5113956 3.038307       1.209417  
1 1 1 15  12 25 o 43.62328 0.6521604 19.03783       0.5689025 19.45802       0.8122446 18.63320       0.7970693 0.9448090      1.304321  
1 1 1 15  12 26 o 32.74269 0.6155928 10.71560       0.4027735 10.43289       0.5557225 11.02845       0.5845886 -0.9082603     1.231186  
1 1 1 15  12 27 o 70.54357 0.8508002 49.61903       1.196656  47.23978       1.616917  52.50041       1.779380  -3.718948      1.701600  
1 1 1 15  12 28 o 50.32156 0.7015682 25.34880       0.7060608 25.26331       0.9942124 25.43578       1.002886  -0.1709099     1.403136  
1 1 1 15  12 29 o 24.62068 0.6559775 5.931558       0.3192736 4.969215       0.4181884 7.276347       0.4943498 -4.681166      1.311955  
1 1 1 15  12 30 o 61.24825 0.7809016 37.34299       0.9525995 35.18604       1.278134  40.03836       1.428777  -3.950375      1.561803  
1 1 1 15  12 31 f 34.10602 0.6462945 11.65240       0.4404697 12.22428       0.6234305 11.08238       0.6224072 1.673973       1.292589  
1 1 1 15  12 32 o 28.56878 0.6531141 8.125039       0.3720448 7.548643       0.5030984 8.820676       0.5526929 -2.222799      1.306228  
1 1 1 15  12 33 o 25.88408 0.6578665 6.710506       0.3404917 6.862203       0.4810790 6.558242       0.4819784 0.5872269      1.315733  
1 1 1 15  12 34 o 52.30129 0.8005142 27.62490       0.8298752 25.47584       1.228664  29.42779       1.125368  -3.788387      1.601028  
1 1 1 15  12 35 o 11.24931 2.083335  1.334649       0.5244938 0.4641137      0.7686341 2.093203       0.7174961 -5.809299      4.166669  
1 1 1 15  12 36 o 25.22279 0.6874915 6.361077       0.3463704 6.132213       0.4754444 6.619927       0.5056316 -0.9639206     1.374983  
1 1 1 15  12 37 o 59.98009 0.7863321 35.81636       0.9390984 38.71312       1.411730  33.51709       1.257740  4.313728       1.572664  
1 1 1 15  12 38 o 19.70370 0.9343286 3.741722       0.3597891 2.863163       0.4623367 5.090693       0.5728942 -5.636330      1.868657  
1 1 1 15  12 39 o 38.48174 0.7938251 14.91725       0.6073272 14.18402       0.8959835 15.54050       0.8260527 -1.772186      1.587650  
1 1 1 15  12 40 o 29.03089 0.7022372 8.450177       0.4071357 9.057222       0.5802132 7.861347       0.5714406 2.058571       1.404474  
1 1 1 15  12 41 o 62.70228 0.8204680 39.24145       1.025567  36.85184       1.383847  42.15298       1.527515  -4.204872      1.640936  
1 1 1 15  12 42 o 45.74772 0.7236676 20.98795       0.6620789 20.75101       0.9298572 21.23158       0.9429212 -0.5233498     1.447335  
1 1 1 15  12 43 o 37.95706 0.7018206 14.40977       0.5319530 13.67313       0.7281348 15.25299       0.7790319 -2.073132      1.403641  
1 1 1 15  12 44 o 29.65006 0.7247902 8.822576       0.4294445 9.283760       0.6098907 8.369068       0.6047938 1.541655       1.449580  
1 1 1 15  12 45 o 18.65759 0.9212731 3.543127       0.3396249 3.932656       0.4642853 3.094791       0.4981000 2.252890       1.842546  
1 1 1 15  12 46 o 50.09320 1.224993  25.41418       1.222354  24.58689       1.793535  26.13174       1.670369  -1.578823      2.449986  
1 1 1 15  13 0  o 96.17043 1.542764  92.55556       2.967223  92.20677       4.172748  92.91232       4.220230  -0.3659744     3.085528  
1 1 1 15  13 1  o 115.8105 1.802599  133.9597       4.168025  139.2802       6.115211  129.3437       5.696040  4.281105       3.605199  
1 1 1 15  13 2  o 117.1699 1.823323  137.2683       4.268707  141.3140       6.202902  133.6286       5.883483  3.272545       3.646646  
1 1 1 15  13 3  o 275.9378 4.095917  764.6614       22.57085  743.2546       30.93010  789.0461       33.01146  -8.189819      8.191833  
1 1 1 15  13 4  f 83.33707 1.381540  69.38203       2.299187  67.47755       3.149944  71.55367       3.363649  -2.441628      2.763081  
1 1 1 15  13 5  o 129.2539 1.987654  167.2930       5.137325  169.2835       7.349566  165.3913       7.183817  1.500931       3.975307  
1 1 1 15  13 6  o 30.02445 1.070918  9.038610       0.6356811 10.88234       0.9166723 7.330595       0.8822908 5.914198       2.141837  
1 1 1 15  13 7  o 154.2964 2.340254  238.4850       7.217199  234.1131       9.994991  243.2479       10.43237  -2.943909      4.680507  
1 1 1 15  13 8  o 108.5402 1.708332  117.9691       3.708431  117.9245       5.235326  118.0139       5.253750  -0.4064178E-01 3.416664  
1 1 1 15  13 9  o 124.0881 1.919991  154.1779       4.762748  151.7269       6.616282  156.8140       6.861495  -2.041542      3.839982  
1 1 1 15  13 10 o 131.4447 2.022276  172.6924       5.304697  180.0471       7.819795  166.4227       7.219999  5.158859       4.044551  
1 1 1 15  13 11 o 113.6358 1.788581  129.3841       4.064879  129.4939       5.734631  129.2732       5.762687  0.9818268E-01  3.577163  
1 1 1 15  13 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  13 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  13 14 f 43.34226 1.091295  18.79447       0.9459841 18.79447       0.9459841 ?              ?         ?              ?         
1 1 1 15  13 15 f 42.11974 0.6957653 17.69835       0.5705310 17.96514       0.9222470 17.53295       0.7261609 0.5087738      1.391531  
1 1 1 15  13 16 o 117.7552 1.278364  138.5661       3.005234  143.8333       4.412542  134.0090       4.104268  4.158279       2.556728  
1 1 1 15  13 17 o 29.63481 0.5803263 8.291963       0.3335620 11.80939       0.5468165 6.207416       0.4209539 9.449121       1.160653  
1 1 1 15  13 18 o 82.63144 0.9445177 68.32742       1.560506  67.46967       2.176508  69.23481       2.238578  -1.065712      1.889035  
1 1 1 15  13 19 o 78.42532 0.9091957 61.14136       1.419131  65.79849       2.139206  57.48087       1.896544  5.293076       1.818391  
1 1 1 15  13 20 f 91.35625 1.027512  83.01715       1.867445  78.50060       2.491362  88.80891       2.821224  -5.626114      2.055024  
1 1 1 15  13 21 o 78.04916 0.9065794 60.89887       1.413807  62.94193       2.054923  59.06253       1.948194  2.480438       1.813159  
1 1 1 15  13 22 o 141.1750 1.515994  199.6643       4.274579  194.1123       5.864536  205.9572       6.243589  -4.164658      3.031988  
1 1 1 15  13 23 o 26.28728 1.192696  6.896554       0.6249025 6.597483       0.8428612 7.261618       0.9312217 -1.257410      2.385393  
1 1 1 15  13 24 o 131.8695 1.425081  174.4060       3.756910  171.5989       5.222827  177.4158       5.408165  -2.189713      2.850161  
1 1 1 15  13 25 o 57.61509 0.9162976 33.36318       1.052015  31.41772       1.524477  35.13194       1.453601  -3.227749      1.832595  
1 1 1 15  13 26 o 73.37262 0.8754389 53.65157       1.280540  57.16940       1.906549  50.76031       1.728438  4.356567       1.750878  
1 1 1 15  13 27 o 101.9341 1.136198  104.1717       2.315885  105.4287       3.315128  102.9735       3.236597  1.197418       2.272396  
1 1 1 15  13 28 o 48.19968 0.6932114 23.20392       0.6673674 22.20499       0.9154860 24.33674       0.9749148 -2.207912      1.386423  
1 1 1 15  13 29 o 24.28249 0.6671401 5.890465       0.3208604 7.077155       0.4677163 4.835510       0.4409921 4.614140       1.334280  
1 1 1 15  13 30 o 84.82877 0.9831645 72.05729       1.666276  74.35630       2.424559  69.99953       2.293814  2.554764       1.966329  
1 1 1 15  13 31 o 19.61021 0.7333430 3.884484       0.2850036 4.379200       0.3969610 3.358174       0.4094405 2.604269       1.466686  
1 1 1 15  13 32 o 36.09348 0.6598991 13.05012       0.4760973 13.56514       0.6738427 12.53676       0.6727650 1.424530       1.319798  
1 1 1 15  13 33 o 50.59934 1.150685  25.51086       1.159114  23.54947       1.551047  27.99176       1.744407  -4.361908      2.301369  
1 1 1 15  13 34 o 38.16745 0.7360778 14.71221       0.5553244 15.48138       0.7430721 13.73917       0.8357699 2.291405       1.472156  
1 1 1 15  13 35 o 31.53337 0.6632369 9.871829       0.4162916 11.26003       0.6212879 8.740787       0.5607983 3.989027       1.326474  
1 1 1 15  13 36 o 38.84312 0.6726497 15.10990       0.5224465 15.44069       0.7480842 14.79495       0.7299514 0.8294334      1.345299  
1 1 1 15  13 37 o 16.39947 0.8811924 2.737901       0.2841124 3.244402       0.3963540 2.202597       0.4074677 3.177825       1.762385  
1 1 1 15  13 38 o 40.02402 0.6831145 16.05032       0.5467158 15.64547       0.7656018 16.47159       0.7809732 -1.030212      1.366229  
1 1 1 15  13 39 f 37.94497 0.7823842 14.18846       0.5731820 13.51974       0.7145014 15.39579       0.9600421 -2.438259      1.564768  
1 1 1 15  13 40 o 38.32014 0.8596719 14.45193       0.6512135 12.91264       0.8459082 16.69147       1.020331  -4.902737      1.719344  
1 1 1 15  13 41 o 40.28016 0.7086390 16.26072       0.5706471 15.63111       0.7969015 16.92334       0.8175274 -1.601139      1.417278  
1 1 1 15  13 42 f 35.31484 0.7090343 12.49330       0.5004479 11.95646       0.6935537 13.07643       0.7228343 -1.581150      1.418069  
1 1 1 15  13 43 o 8.893244 1.547311  0.8375767      0.2726796 0.8754964      0.3666890 0.7906688      0.4078396 0.4509792      3.094622  
1 1 1 15  13 44 o 47.67719 0.7523937 22.71270       0.7157297 24.43305       1.057099  21.25650       0.9725661 3.316296       1.504787  
1 1 1 15  13 45 o 6.047680 1.826110  0.1225238E-01  0.3877991 0.2441090      0.4546432 -0.6069459     0.7429778 0.5030046      3.652220  
1 1 1 15  13 46 o 48.33848 1.430770  0.000000       0.000000  ?              ?         23.53722       1.383225  ?              ?         
1 1 1 15  14 0  o 86.96822 1.426427  75.26496       2.471349  80.42634       3.699829  71.10685       3.320838  5.350525       2.852854  
1 1 1 15  14 1  o 163.8067 2.477591  268.8440       8.113173  264.2600       11.26985  273.7755       11.68915  -2.889526      4.955182  
1 1 1 15  14 2  o 120.9744 1.878677  145.6769       4.524216  155.4778       6.806924  137.9211       6.055251  7.235153       3.757354  
1 1 1 15  14 3  o 90.48129 1.474123  81.81961       2.664488  79.46284       3.662489  84.46943       3.883528  -2.761566      2.948246  
1 1 1 15  14 4  o 109.9986 1.727865  121.0946       3.799470  119.1473       5.277590  123.1899       5.474333  -1.832115      3.455729  
1 1 1 15  14 5  o 60.06800 1.132037  36.08882       1.359451  35.62217       1.891580  36.58734       1.955100  -0.8022156     2.264073  
1 1 1 15  14 6  o 88.05243 1.444689  77.55411       2.542663  76.04259       3.523676  79.19617       3.672688  -1.787018      2.889379  
1 1 1 15  14 7  f 70.80801 1.243180  49.54695       1.744589  45.77522       2.288041  54.78509       2.696386  -6.352638      2.486360  
1 1 1 15  14 8  o 80.73772 1.361360  65.25624       2.198244  65.62273       3.111614  64.89107       3.105968  0.4529572      2.722721  
1 1 1 15  14 9  o 56.93952 1.123415  32.04136       1.270689  36.12365       1.938779  28.96728       1.682416  6.277794       2.246831  
1 1 1 15  14 10 o 24.23498 1.179885  5.877738       0.5709563 5.860721       0.7847931 5.896873       0.8321987 -0.7327271E-01 2.359770  
1 1 1 15  14 11 o 88.95404 1.458426  78.92631       2.587254  83.40434       3.839416  75.20137       3.501718  4.598213       2.916852  
1 1 1 15  14 12 o 37.30436 1.022861  13.92370       0.7622352 13.84576       1.051221  14.01011       1.106856  -0.2186775     2.045722  
1 1 1 15  14 13 o 65.52289 1.193332  42.63530       1.556491  46.68475       2.343936  39.44115       2.081737  5.517738       2.386664  
1 1 1 15  14 14 o 93.66116 2.152498  87.91557       4.032108  87.91557       4.032108  ?              ?         ?              ?         
1 1 1 15  14 15 o 60.54480 0.9923219 36.20087       1.190355  40.23001       1.843022  33.31720       1.559185  5.699085       1.984644  
1 1 1 15  14 16 o 93.27037 1.437835  87.08836       2.679747  89.48602       3.890447  84.92386       3.696459  2.434891       2.875670  
1 1 1 15  14 17 o 27.25557 0.5988375 7.395057       0.3238800 7.715956       0.4940774 7.153258       0.4288814 1.030563       1.197675  
1 1 1 15  14 18 o 68.74110 0.8246562 47.21297       1.132377  48.89149       1.651701  45.72434       1.555473  2.300087       1.649312  
1 1 1 15  14 19 o 79.14694 0.9146255 62.69456       1.447430  61.93720       2.019974  63.49381       2.075088  -0.9809647     1.829251  
1 1 1 15  14 20 o 41.56373 0.6267791 17.14011       0.5188309 19.20428       0.7754551 15.46722       0.6981016 4.493095       1.253558  
1 1 1 15  14 21 o 87.86662 0.9979012 77.23687       1.752208  75.31850       2.419390  79.35308       2.541080  -2.289314      1.995802  
1 1 1 15  14 22 o 45.06667 0.6558308 20.30181       0.5905443 19.85359       0.8140048 20.79984       0.8580461 -1.048206      1.311662  
1 1 1 15  14 23 o 70.15346 1.136024  48.90821       1.583782  45.84266       2.101346  52.93986       2.409819  -5.036461      2.272048  
1 1 1 15  14 24 o 42.96247 0.6498187 18.41222       0.5574327 19.75538       0.8154407 17.23394       0.7637529 2.932117       1.299637  
1 1 1 15  14 25 o 43.87154 0.6618448 19.09191       0.5774462 17.71981       0.7683617 20.87259       0.8753166 -3.588211      1.323690  
1 1 1 15  14 26 o 54.67806 0.7289082 29.92290       0.7969062 29.53570       1.112110  30.33156       1.142495  -0.7260170     1.457816  
1 1 1 15  14 27 o 83.62775 0.9690717 69.60088       1.612583  65.49529       2.152863  74.84880       2.434002  -5.569206      1.938143  
1 1 1 15  14 28 o 49.86081 0.7062604 24.87731       0.7040620 25.61548       1.011004  24.18223       0.9810588 1.435280       1.412521  
1 1 1 15  14 29 o 33.12592 0.6456867 10.87630       0.4253104 12.62905       0.6360135 9.458508       0.5720221 4.781332       1.291373  
1 1 1 15  14 30 o 16.79215 0.8002216 2.803006       0.2631549 2.085006       0.3551312 3.677349       0.3918930 -4.738240      1.600443  
1 1 1 15  14 31 o 12.95074 2.118393  1.766645       0.5786941 2.646622       0.8102320 0.8502797      0.8268141 6.470114       4.236787  
1 1 1 15  14 32 o 19.45956 0.8608683 3.511931       0.3154052 3.019691       0.3768613 4.662932       0.5762767 -4.200661      1.721737  
1 1 1 15  14 33 o 83.24545 0.9749699 69.52579       1.622846  68.62132       2.265270  70.47942       2.326037  -1.108109      1.949940  
1 1 1 15  14 34 o 16.36526 0.8210853 2.702146       0.2670296 2.959588       0.3705917 2.424152       0.3850997 1.637523       1.642171  
1 1 1 15  14 35 o 18.00336 0.7885575 3.247507       0.2836564 3.206099       0.3915168 3.293257       0.4115328 -0.2397556     1.577115  
1 1 1 15  14 36 o 51.88544 0.7356641 26.63160       0.7576334 29.91640       1.162071  24.20308       0.9991922 5.487377       1.471328  
1 1 1 15  14 37 f 51.75931 0.7397328 26.75398       0.7638726 28.37800       1.129884  25.38684       1.036682  2.877632       1.479466  
1 1 1 15  14 38 o 11.73881 1.135318  1.399801       0.2639022 1.578156       0.3664877 1.207723       0.3803252 1.580560       2.270636  
1 1 1 15  14 39 o 15.60865 0.9299812 2.469687       0.2876298 2.721575       0.3956177 2.187249       0.4189219 1.715573       1.859962  
1 1 1 15  14 40 o 52.42022 0.7584549 27.54619       0.7948270 28.30660       1.144673  26.83820       1.104513  1.394566       1.516910  
1 1 1 15  14 41 o 33.82043 0.8608356 11.50004       0.5812669 12.31088       0.8236902 10.69569       0.8203909 2.387295       1.721671  
1 1 1 15  14 42 f 12.20741 1.378927  1.586509       0.3088019 0.8616203      0.4271109 2.380448       0.4469906 -6.341492      2.757853  
1 1 1 15  14 43 o 30.27658 1.250855  9.622438       0.6961834 8.290704       1.211079  10.27970       0.8508075 -3.385317      2.501709  
1 1 1 15  14 44 o 30.44410 0.8658819 9.367398       0.5171177 9.584985       0.6733755 9.054616       0.8073508 0.9001446      1.731764  
1 1 1 15  14 45 o 28.93372 0.9174193 8.463553       0.5281391 9.178066       0.7338299 7.695762       0.7606975 2.567617       1.834839  
1 1 1 15  15 0  o 208.9646 3.124088  438.6170       13.05618  440.3889       18.54004  436.8739       18.38933  0.8333588      6.248176  
1 1 1 15  15 1  o 145.3365 2.215615  210.6423       6.413647  223.0989       9.608715  200.6330       8.613250  7.692139       4.431230  
1 1 1 15  15 2  o 29.54686 1.087564  8.730125       0.6423460 8.586926       0.8914052 8.884803       0.9264359 -0.5034161     2.175128  
1 1 1 15  15 3  o 200.9307 3.011805  404.2717       12.06909  422.9490       17.89154  388.6758       16.34912  8.443481       6.023610  
1 1 1 15  15 4  o 62.05273 1.165050  38.36337       1.442240  40.97588       2.134349  36.16809       1.956507  3.869877       2.330099  
1 1 1 15  15 5  o 56.10978 1.105560  31.46229       1.239787  32.81165       1.793286  30.22685       1.715920  2.301537       2.211119  
1 1 1 15  15 6  f 155.0059 2.355880  240.4347       7.286662  231.8192       9.909446  250.5771       10.75181  -6.006622      4.711759  
1 1 1 15  15 7  o 75.51274 1.299778  57.06321       1.962213  56.35456       2.730080  57.82048       2.822188  -0.9678574     2.599557  
1 1 1 15  15 8  o 59.69414 1.136327  35.40151       1.350079  33.10998       1.804205  38.31737       2.035195  -4.355228      2.272654  
1 1 1 15  15 9  o 100.9743 1.617617  102.1591       3.266683  101.8735       4.601918  102.4491       4.637866  -0.2834702     3.235234  
1 1 1 15  15 10 o 80.59512 1.362055  64.92478       2.191837  62.91816       2.997608  67.23022       3.213045  -2.666473      2.724110  
1 1 1 15  15 11 o 129.3810 2.002503  167.5284       5.169847  161.4382       7.031160  174.6959       7.627765  -5.085350      4.005006  
1 1 1 15  15 12 o 155.9790 2.378029  244.5920       7.418309  243.7328       10.45214  245.4641       10.53045  -0.5487671     4.756057  
1 1 1 15  15 13 o 112.2031 1.769428  125.7407       3.957645  132.7255       5.892655  120.0009       5.341726  5.636444       3.538855  
1 1 1 15  15 14 o 47.54667 1.052636  22.55039       0.9984384 21.52317       1.354433  23.77295       1.477604  -2.360886      2.105272  
1 1 1 15  15 15 o 93.34120 1.047720  87.22276       1.955643  88.41367       2.794018  86.07896       2.738219  1.248116       2.095439  
1 1 1 15  15 16 o 58.09491 0.7357845 33.76088       0.8547413 34.45292       1.223344  33.10083       1.194737  1.162735       1.471569  
1 1 1 15  15 17 o 52.11879 0.8149750 25.87690       0.7909471 23.83128       0.9419937 30.76597       1.456291  -6.633144      1.629950  
1 1 1 15  15 18 o 138.1966 2.081238  192.1425       5.752173  191.2282       8.091875  193.0764       8.178421  -0.6596985     4.162477  
1 1 1 15  15 19 o 48.77866 0.8582423 23.71322       0.8347034 22.53226       1.127869  25.14330       1.241143  -2.671257      1.716485  
1 1 1 15  15 20 o 56.20349 0.7365471 31.53444       0.8263795 30.37384       1.127619  32.88093       1.214574  -2.226845      1.473094  
1 1 1 15  15 21 o 84.95300 1.329023  72.34948       2.257366  73.60663       3.242616  71.16729       3.144443  1.428040       2.658045  
1 1 1 15  15 22 o 7.062908 1.186175  0.5042375      0.1662594 0.3664914      0.2201350 0.6871440      0.2536671 -2.151254      2.372350  
1 1 1 15  15 23 o 41.04434 0.6417307 16.75242       0.5250981 18.50234       0.7788661 15.29428       0.7109714 3.904972       1.283461  
1 1 1 15  15 24 o 13.38780 2.046784  1.899947       0.5422989 2.345716       0.7355033 1.368933       0.8027549 3.765211       4.093568  
1 1 1 15  15 25 o 82.56921 0.9568573 68.28986       1.579508  67.31454       2.197124  69.33307       2.272295  -1.216484      1.913715  
1 1 1 15  15 26 o 104.5449 1.163702  109.5058       2.430432  106.6274       3.342982  112.7330       3.539752  -2.900230      2.327404  
1 1 1 15  15 27 o 110.6914 1.225418  122.9587       2.711726  120.8731       3.769629  125.1955       3.903810  -1.936676      2.450836  
1 1 1 15  15 28 o 88.43785 1.102756  78.77397       1.942951  74.18581       2.820187  82.91926       2.680619  -4.953606      2.205512  
1 1 1 15  15 29 f 35.48354 1.164106  12.63063       0.8255017 13.34616       1.186268  11.95880       1.149472  1.950306       2.328213  
1 1 1 15  15 30 o 26.69090 0.7647030 6.794525       0.3859195 6.162025       0.4654499 8.185763       0.6903099 -3.770977      1.529406  
1 1 1 15  15 31 o 39.62132 0.6687555 15.60196       0.5278868 17.38605       0.7872466 14.14440       0.7115663 4.084419       1.337511  
1 1 1 15  15 32 o 17.49559 0.7900808 3.024438       0.2742388 2.572147       0.3653801 3.607934       0.4150072 -2.954882      1.580162  
1 1 1 15  15 33 o 56.35366 0.7636410 31.68568       0.8584909 33.88655       1.270637  29.83721       1.164477  3.581608       1.527282  
1 1 1 15  15 34 o 10.87496 1.136673  1.172753       0.2452948 0.9981387      0.3273326 1.396403       0.3704540 -1.823966      2.273345  
1 1 1 15  15 35 o 75.13181 0.9086901 56.29143       1.359139  60.27206       2.044571  53.13961       1.819313  4.715332       1.817380  
1 1 1 15  15 36 o 26.70781 0.6830565 7.139301       0.3644698 7.620293       0.5254036 6.693146       0.5060191 1.733452       1.366113  
1 1 1 15  15 37 f 24.06466 0.7161330 5.793866       0.3441973 5.586750       0.4719246 6.029257       0.5031074 -0.9154720     1.432266  
1 1 1 15  15 38 o 37.19135 0.6949369 13.82579       0.5160702 14.93651       0.7517977 12.83601       0.7096884 2.818577       1.389874  
1 1 1 15  15 39 o 84.14987 1.000812  71.19148       1.683996  71.98388       2.411712  70.43755       2.352453  0.9070816      2.001625  
1 1 1 15  15 40 f 27.84651 0.7200010 7.779265       0.4002763 8.399824       0.5711073 7.180101       0.5611758 2.188591       1.440002  
1 1 1 15  15 41 o 25.20145 0.8653199 6.171850       0.4239588 7.261978       0.7061086 5.557324       0.5301552 3.348299       1.730640  
1 1 1 15  15 42 o 19.68822 1.680300  3.911804       0.6616421 3.911804       0.6616421 ?              ?         ?              ?         
1 1 1 15  15 43 o 33.28707 0.8731767 11.15917       0.5799592 11.47338       0.8005216 10.81207       0.8413750 1.002293       1.746353  
1 1 1 15  15 44 o 41.41975 0.9013208 17.22742       0.7452351 16.86927       1.018623  17.63990       1.093165  -0.9138298     1.802642  
1 1 1 15  16 0  o 174.1762 2.630104  304.1807       9.150530  313.1358       13.34676  296.2379       12.56977  4.807648       5.260208  
1 1 1 15  16 1  o 65.28604 1.190909  42.59927       1.553118  41.49894       2.134579  43.83709       2.264013  -1.787338      2.381818  
1 1 1 15  16 2  o 186.0406 2.799217  347.7157       10.41240  352.6943       14.94090  343.0142       14.51889  2.575043       5.598433  
1 1 1 15  16 3  o 163.2536 2.474354  267.5798       8.078708  268.7465       11.47762  266.4342       11.37313  0.7021637      4.948709  
1 1 1 15  16 4  o 142.5233 2.181721  203.6174       6.214623  208.2282       8.992003  199.4009       8.598785  3.076004       4.363442  
1 1 1 15  16 5  o 145.5610 2.223958  212.3029       6.465970  206.4640       8.876228  218.9045       9.438143  -4.241318      4.447915  
1 1 1 15  16 6  f 21.24165 1.217646  4.523226       0.5151386 4.586211       0.7000419 4.448837       0.7607734 0.3253841      2.435292  
1 1 1 15  16 7  o 22.08217 1.265729  4.927036       0.5440221 6.416955       0.7860748 3.557409       0.7536745 6.473606       2.531459  
1 1 1 15  16 8  o 44.80609 1.037916  20.07686       0.9294646 21.14957       1.335006  19.06774       1.294837  2.321842       2.075832  
1 1 1 15  16 9  o 80.86771 1.373290  65.49290       2.220749  66.57161       3.175062  64.45976       3.107262  1.302658       2.746580  
1 1 1 15  16 10 o 103.5955 1.655575  107.5183       3.427922  105.4036       4.745272  109.8262       4.957305  -2.122604      3.311150  
1 1 1 15  16 11 o 124.0826 1.933973  154.4974       4.798016  152.5577       6.688770  156.5534       6.886382  -1.596382      3.867947  
1 1 1 15  16 12 f 33.22290 1.062099  11.05078       0.7047275 11.03527       0.9708994 11.06806       1.024533  -0.4707718E-01 2.124198  
1 1 1 15  16 13 o 59.84783 1.152061  35.87760       1.378919  36.12124       1.946789  35.63231       1.953401  0.4088097      2.304122  
1 1 1 15  16 14 o 46.21384 1.063091  21.06828       0.9745569 18.91025       1.282375  24.01852       1.499394  -5.516327      2.126183  
1 1 1 15  16 15 o 63.57032 1.191935  40.46740       1.514636  39.88955       2.102339  41.09104       2.184033  -0.9404449     2.383870  
1 1 1 15  16 16 o 72.57555 0.8584938 52.67074       1.245210  54.14270       1.803318  51.32930       1.721514  1.934761       1.716988  
1 1 1 15  16 17 o 90.75990 1.024346  82.42497       1.857996  80.62404       2.568406  84.40208       2.691091  -2.074722      2.048693  
1 1 1 15  16 18 o 76.62857 0.9675860 58.66319       1.465114  57.91273       1.922663  59.70243       2.262550  -1.149895      1.935172  
1 1 1 15  16 19 o 69.31274 0.9916207 47.49221       1.297786  46.27081       1.582128  50.00435       2.269001  -2.654648      1.983241  
1 1 1 15  16 20 o 71.26568 1.143132  50.88025       1.628614  50.05964       2.263572  51.76095       2.345001  -1.187759      2.286263  
1 1 1 15  16 21 o 23.37748 0.6772670 5.313866       0.3120335 4.515077       0.4025339 6.516523       0.4939205 -4.276384      1.354534  
1 1 1 15  16 22 o 43.91160 0.7437465 18.81826       0.6282256 21.04015       1.067774  17.64196       0.7769242 3.854202       1.487493  
1 1 1 15  16 23 o 37.76361 0.6258141 14.23443       0.4717174 13.69604       0.6429693 14.86201       0.6941895 -1.541302      1.251628  
1 1 1 15  16 24 o 45.13632 0.9588773 20.22056       0.8305783 21.10747       1.399777  19.73861       1.031859  1.487106       1.917755  
1 1 1 15  16 25 o 70.91998 0.8595436 50.25031       1.216617  48.34990       1.656882  52.47377       1.792184  -2.896988      1.719087  
1 1 1 15  16 26 o 18.64371 1.249540  3.701539       0.3514788 3.173729       0.8134257 3.822709       0.3897408 -1.788683      2.499080  
1 1 1 15  16 27 o 59.61079 1.209883  35.68557       1.442374  36.13120       2.050498  35.24911       2.029316  0.7371788      2.419766  
1 1 1 15  16 28 o 39.34816 0.6598783 15.51056       0.5189947 16.10375       0.7333236 14.91528       0.7346171 1.510292       1.319757  
1 1 1 15  16 29 f 78.25606 0.9326429 61.27644       1.457194  59.12079       1.991357  63.76130       2.138019  -2.948708      1.865286  
1 1 1 15  16 30 o 41.88898 0.6775661 17.51175       0.5665377 19.03796       0.8286700 16.17234       0.7763020 3.415962       1.355132  
1 1 1 15  16 31 o 7.034703 1.408262  0.5124996      0.2246436 0.7523216      0.3006259 0.2092627      0.3380438 2.897129       2.816524  
1 1 1 15  16 32 f 30.16167 0.6674835 9.098341       0.4021464 8.832087       0.5523060 9.398779       0.5866921 -0.9362278     1.334967  
1 1 1 15  16 33 o 39.88474 0.6807973 15.93004       0.5427470 16.72187       0.7765146 15.17371       0.7589085 1.939049       1.361595  
1 1 1 15  16 34 o 34.84351 0.6789452 12.15401       0.4726503 12.95615       0.6787784 11.39900       0.6585382 2.232372       1.357890  
1 1 1 15  16 35 o 20.64626 0.7623959 4.247382       0.3129751 4.037863       0.4167231 4.518473       0.4740191 -1.156380      1.524792  
1 1 1 15  16 36 o 61.45606 0.8064592 37.80900       0.9900064 36.27085       1.359300  39.54665       1.444766  -2.652996      1.612918  
1 1 1 15  16 37 o 31.79361 0.6822634 10.11782       0.4334811 10.67976       0.6259099 9.599853       0.6009229 1.695204       1.364527  
1 1 1 15  16 38 o 59.81248 0.8053917 35.90261       0.9632658 36.02581       1.376812  35.78449       1.348167  0.1971664      1.610783  
1 1 1 15  16 39 o 10.97821 1.329347  1.260770       0.2799633 1.498937       0.3880658 1.002274       0.4042880 2.439001       2.658694  
1 1 1 15  16 40 f 12.49916 2.445507  1.675976       0.6284413 1.595625       0.9678339 1.734550       0.8263432 -0.4423933     4.891013  
1 1 1 15  16 41 o 34.26660 0.7748917 11.55482       0.5199053 12.89924       0.8420690 10.72662       0.6609203 3.138058       1.549783  
1 1 1 15  16 42 o 32.69049 0.8498679 10.74649       0.5541379 10.81503       0.7576060 10.66764       0.8126221 0.2371025      1.699736  
1 1 1 15  16 43 o 36.03931 0.8684550 13.05712       0.6251072 13.97259       0.8910906 12.17008       0.8771445 2.497803       1.736910  
1 1 1 15  17 0  o 49.30579 1.049168  24.31754       1.034089  23.94717       1.435892  24.71661       1.490481  -0.7787743     2.098336  
1 1 1 15  17 1  o 92.74896 1.510442  85.76823       2.792607  91.03983       4.159819  81.44319       3.767889  5.157349       3.020883  
1 1 1 15  17 2  o 82.53277 1.384542  68.22230       2.285380  68.49656       3.230058  67.94736       3.233976  0.3328705      2.769083  
1 1 1 15  17 3  o 57.33521 1.118483  32.66346       1.277506  35.82008       1.912347  30.11948       1.716770  4.964756       2.236966  
1 1 1 15  17 4  o 34.03354 1.056355  11.53257       0.7149948 13.39513       1.050183  9.923251       0.9761786 5.098236       2.112710  
1 1 1 15  17 5  f 67.88651 1.217140  46.11811       1.651953  47.32195       2.375344  44.99046       2.298956  1.714172       2.434281  
1 1 1 15  17 6  o 21.30634 1.275894  4.592070       0.5320922 5.773039       0.7616233 3.466086       0.7436816 5.413021       2.551788  
1 1 1 15  17 7  f 33.07146 1.044650  10.98132       0.6889009 11.62101       0.9580688 10.29650       0.9912861 2.003670       2.089300  
1 1 1 15  17 8  o 50.74666 1.073799  25.78515       1.089694  26.22030       1.539398  25.34811       1.542728  0.8594856      2.147598  
1 1 1 15  17 9  o 37.81528 1.052376  14.32380       0.7952970 14.49677       1.107027  14.13931       1.143289  0.4741249      2.104752  
1 1 1 15  17 10 o 31.97463 1.106163  10.19975       0.6994436 12.46127       1.025732  8.234251       0.9562448 6.606709       2.212326  
1 1 1 15  17 11 o 65.65894 1.209899  43.12718       1.587552  44.83527       2.301590  41.57696       2.192644  2.475349       2.419798  
1 1 1 15  17 12 o 61.41376 1.180586  37.63467       1.446921  40.11863       2.133893  35.52062       1.968598  3.734524       2.361172  
1 1 1 15  17 13 f 59.90778 1.165258  35.90083       1.394338  34.95611       1.914343  36.96836       2.034965  -1.672745      2.330515  
1 1 1 15  17 14 o 38.88533 1.056942  15.14077       0.8210071 15.06568       1.132374  15.22399       1.192085  -0.2003822     2.113884  
1 1 1 15  17 15 o 93.56863 1.546803  87.82304       2.893637  89.36343       4.159284  86.37814       4.028301  1.584518       3.093607  
1 1 1 15  17 16 o 102.5315 1.570066  105.4634       3.218028  103.6263       4.467344  107.4447       4.639493  -1.847336      3.140132  
1 1 1 15  17 17 o 53.38298 0.7031169 28.52015       0.7506781 28.73140       1.062622  28.30969       1.060619  0.3949051      1.406234  
1 1 1 15  17 18 o 117.0272 1.280290  137.0923       2.991962  132.9909       4.097083  141.7788       4.379577  -3.732117      2.560580  
1 1 1 15  17 19 o 32.06723 0.5920155 10.22243       0.3781014 9.582653       0.5071821 11.02281       0.5672839 -2.243071      1.184031  
1 1 1 15  17 20 o 72.60904 0.8677238 52.47758       1.254403  49.61643       1.680104  56.08150       1.885617  -4.439484      1.735448  
1 1 1 15  17 21 o 43.11807 0.6538930 18.10694       0.5542094 16.04879       0.7082596 21.35739       0.8900712 -6.147064      1.307786  
1 1 1 15  17 22 o 51.43570 0.8987440 26.16148       0.9165378 24.03606       1.203491  29.09638       1.414220  -4.903587      1.797488  
1 1 1 15  17 23 f 54.45139 0.9375822 29.55273       1.017716  31.69411       1.516147  27.79660       1.373010  3.567276       1.875164  
1 1 1 15  17 24 o 29.81240 1.850592  0.000000       0.000000  ?              ?         8.928564       1.103411  ?              ?         
1 1 1 15  17 25 o 43.90792 1.004124  19.54546       0.8323329 19.99240       1.026931  18.68968       1.421014  1.523624       2.008247  
1 1 1 15  17 26 o 36.83821 0.6394125 13.58067       0.4708553 14.20821       0.6733308 12.98012       0.6586905 1.665874       1.278825  
1 1 1 15  17 27 o 33.57327 0.6422058 11.28249       0.4304868 12.20098       0.6163728 10.40779       0.6015002 2.669483       1.284412  
1 1 1 15  17 28 f 21.91019 0.6690803 4.817984       0.2913450 5.514281       0.4163558 4.149929       0.4078249 3.112820       1.338161  
1 1 1 15  17 29 o 21.03573 0.6831633 4.423997       0.2866150 4.323260       0.3891576 4.543420       0.4237134 -0.5202179     1.366327  
1 1 1 15  17 30 o 52.16501 0.7345124 27.26942       0.7662534 27.36619       1.077839  27.17055       1.089548  0.1886940      1.469025  
1 1 1 15  17 31 o 17.90858 0.7470186 3.215197       0.2665045 3.224041       0.3614724 3.204665       0.3944749 0.5758858E-01  1.494037  
1 1 1 15  17 32 o 51.42635 0.7399700 26.50631       0.7610164 26.47501       1.069101  26.53845       1.083523  -0.6011581E-01 1.479940  
1 1 1 15  17 33 f 7.147234 1.492524  0.5250576      0.2335058 0.6542294      0.3178140 0.3735308      0.3442183 1.506970       2.985048  
1 1 1 15  17 34 o 8.494263 1.448364  0.7640519      0.2425712 0.8164000      0.3233616 0.6966840      0.3668306 0.6684914      2.896727  
1 1 1 15  17 35 o 18.51603 0.8391891 3.310854       0.3026442 2.432288       0.3910800 4.622525       0.4778489 -5.901731      1.678378  
1 1 1 15  17 36 o 16.99695 0.8394767 2.895293       0.2851267 2.798385       0.3933957 3.002535       0.4138407 -0.5973930     1.678953  
1 1 1 15  17 37 o 16.20576 0.9012396 2.603297       0.2884473 2.081921       0.3863381 3.260011       0.4335910 -3.626409      1.802479  
1 1 1 15  17 38 o 8.737805 2.408521  0.5153747      0.6018019 0.4076816      0.9437259 0.5891802      0.7812611 0.4638100E-01  4.817043  
1 1 1 15  17 39 o 24.09922 0.7753335 5.812980       0.3725365 6.496127       0.5414726 5.198964       0.5133444 2.686481       1.550667  
1 1 1 15  17 40 o 9.507027 1.558521  0.9749343      0.2931304 1.186945       0.3978174 0.7230847      0.4335863 2.322656       3.117041  
1 1 1 15  17 41 f 53.50753 0.9925488 28.83395       1.062009  29.32472       1.498664  28.33891       1.505171  0.9227982      1.985098  
1 1 1 15  17 42 o 36.50991 0.8608799 13.39757       0.6275226 13.39255       0.8624053 13.40323       0.9148135 -0.3631592E-02 1.721760  
1 1 1 15  18 0  o 66.99660 1.217578  44.57386       1.623195  48.66256       2.451247  41.38084       2.166183  5.422874       2.435155  
1 1 1 15  18 1  o 78.52588 1.343925  61.76633       2.110503  61.56569       2.964752  61.97246       3.005061  -0.2571793     2.687849  
1 1 1 15  18 2  o 74.91165 1.303876  55.99229       1.947954  53.49805       2.637062  58.98778       2.889915  -3.652916      2.607752  
1 1 1 15  18 3  o 41.52919 1.031877  17.26735       0.8569249 17.55544       1.208973  16.97649       1.214797  0.6972466      2.063753  
1 1 1 15  18 4  f 82.27334 1.390342  67.80770       2.287456  68.71392       3.267820  66.93704       3.203054  1.076614       2.780684  
1 1 1 15  18 5  o 73.78925 1.293126  54.53075       1.907664  53.96821       2.656270  55.12995       2.741435  -0.7829666     2.586252  
1 1 1 15  18 6  f 36.48517 1.038269  13.20972       0.7535162 15.29154       1.122134  11.50010       1.016889  5.191357       2.076539  
1 1 1 15  18 7  o 64.16547 1.194491  41.18070       1.531325  39.89795       2.108067  42.61377       2.228160  -2.109997      2.388982  
1 1 1 15  18 8  o 53.29811 1.110832  28.45052       1.183917  29.14477       1.680455  27.76633       1.668236  1.292534       2.221664  
1 1 1 15  18 9  o 48.77886 1.087932  23.66030       1.056963  22.01339       1.418012  25.71928       1.585517  -3.790310      2.175864  
1 1 1 15  18 10 o 48.36768 1.074630  23.40449       1.038531  22.87771       1.431442  23.98993       1.509039  -1.145798      2.149261  
1 1 1 15  18 11 o 68.04826 1.251121  46.33701       1.701291  48.13195       2.468799  44.71379       2.347742  2.504066       2.502242  
1 1 1 15  18 12 o 10.92617 2.131437  1.062669       0.5099894 0.4544259      0.6513434 2.026352       0.8198581 -5.983222      4.262874  
1 1 1 15  18 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  18 14 o 62.55887 1.205995  39.11071       1.506667  41.50254       2.203787  37.01161       2.064522  3.580101       2.411990  
1 1 1 15  18 15 o 94.61446 1.562357  89.87681       2.956376  89.73697       4.166723  90.01857       4.195317  -0.1462326     3.124715  
1 1 1 15  18 16 o 78.65196 0.9175281 61.94997       1.443251  62.54618       2.051904  61.36618       2.030396  0.7488937      1.835056  
1 1 1 15  18 17 f 83.41582 0.9611346 69.70470       1.603352  69.43359       2.251643  69.98357       2.283660  -0.3275299     1.922269  
1 1 1 15  18 18 o 48.20968 0.6765366 23.07543       0.6496266 25.54160       0.9728033 21.09050       0.8727419 4.611660       1.353073  
1 1 1 15  18 19 o 80.07365 0.9333900 63.97971       1.490129  61.21525       2.013747  67.32547       2.215374  -3.801559      1.866780  
1 1 1 15  18 20 o 57.03954 0.7455759 32.57556       0.8504806 33.13636       1.206303  32.02130       1.199250  0.9770241      1.491152  
1 1 1 15  18 21 o 25.81095 0.9435676 6.193672       0.3852190 7.485456       0.9137142 5.914432       0.4248191 3.005085       1.887135  
1 1 1 15  18 22 o 48.71992 1.131104  23.81393       1.101677  24.76291       1.566937  22.88627       1.549227  1.924103       2.262207  
1 1 1 15  18 23 o 15.40133 1.644930  2.560270       0.2859654 2.591751       0.3015500 2.279110       0.9011863 1.374937       3.289860  
1 1 1 15  18 24 o 21.26871 0.6654152 4.447485       0.2793064 4.057550       0.3611857 5.027536       0.4405217 -2.274755      1.330830  
1 1 1 15  18 25 f 34.10244 0.7435685 11.49715       0.5037910 13.32909       0.7633636 10.08355       0.6705599 4.750906       1.487137  
1 1 1 15  18 26 o 83.95821 1.327481  70.90385       2.229053  71.11892       3.155584  70.68967       3.149139  0.2546234      2.654962  
1 1 1 15  18 27 o 74.98677 0.9054591 56.33847       1.357144  58.00552       1.961081  54.80632       1.880063  2.123932       1.810918  
1 1 1 15  18 28 o 30.15305 0.6469017 9.058668       0.3887231 8.571946       0.5234399 9.657175       0.5804438 -1.794600      1.293803  
1 1 1 15  18 29 o 73.20219 0.8948202 53.75156       1.310030  54.21890       1.855218  53.28677       1.850116  0.6360626      1.789640  
1 1 1 15  18 30 o 18.22180 0.7443486 3.347893       0.2696296 3.624274       0.3725951 3.044039       0.3906748 1.594086       1.488697  
1 1 1 15  18 31 o 36.26523 0.6661839 13.17752       0.4830709 13.24532       0.6768051 13.10711       0.6897085 0.1918182      1.332368  
1 1 1 15  18 32 o 20.99662 0.7227386 4.421258       0.3026239 4.446638       0.4132226 4.391901       0.4444290 0.1340294      1.445477  
1 1 1 15  18 33 o 20.87318 0.7580431 4.391054       0.3146448 4.635128       0.4305515 4.111297       0.4609522 1.258829       1.516086  
1 1 1 15  18 34 o 29.04468 0.6979517 8.467264       0.4047928 8.978405       0.5708125 7.950168       0.5741289 1.770502       1.395903  
1 1 1 15  18 35 f 19.74838 0.7996840 3.912640       0.3134037 3.908825       0.4179571 3.917540       0.4736975 -0.1374245E-01 1.599368  
1 1 1 15  18 36 o 40.90881 1.118562  17.18303       0.8611281 15.84178       1.463604  17.89314       1.064964  -2.593975      2.237124  
1 1 1 15  18 37 o 59.02348 0.8865048 35.07162       1.031439  35.41398       1.352775  34.59622       1.594105  0.7384987      1.773010  
1 1 1 15  18 38 o 9.358789 1.454452  0.9319539      0.2644381 1.038612       0.3587717 0.8050893      0.3912836 1.241270       2.908904  
1 1 1 15  18 39 o 56.07022 1.014773  31.64875       1.137835  32.31755       1.614369  30.98855       1.603964  1.182693       2.029546  
1 1 1 15  18 40 o 46.61555 0.9174844 21.86565       0.8550937 22.12960       1.198473  21.59195       1.220395  0.5817337      1.834969  
1 1 1 15  18 41 o 38.58893 0.8613496 14.97731       0.6642713 15.55642       0.9359167 14.38944       0.9429659 1.513546       1.722699  
1 1 1 15  19 0  o 112.9769 1.236473  127.8617       2.793819  127.6711       3.939300  128.0546       3.962919  -0.1685257     2.472947  
1 1 1 15  19 1  o 83.61858 1.410283  69.90167       2.353796  67.32674       3.208359  72.90302       3.463840  -3.319107      2.820565  
1 1 1 15  19 2  o 82.33058 1.398513  67.93967       2.302561  67.49512       3.228739  68.39977       3.284606  -0.5459976     2.797025  
1 1 1 15  19 3  o 100.8387 1.630201  102.0145       3.287572  103.0145       4.678902  101.0394       4.620311  0.9750595      3.260402  
1 1 1 15  19 4  o 58.27383 1.153159  34.01610       1.343889  34.54025       1.904014  33.49575       1.897097  0.8958321      2.306318  
1 1 1 15  19 5  o 57.37398 1.149595  32.89704       1.317534  34.63930       1.921141  31.34995       1.810341  2.860741       2.299189  
1 1 1 15  19 6  o 26.00252 1.212570  6.781041       0.6286839 7.458713       0.8957325 6.123096       0.8825997 2.567503       2.425139  
1 1 1 15  19 7  o 91.47243 1.515248  83.86848       2.770628  85.94447       3.997732  81.94975       3.843348  2.172226       3.030495  
1 1 1 15  19 8  o 77.50404 1.358469  59.83058       2.095763  56.39626       2.803195  64.18307       3.155743  -4.999390      2.716938  
1 1 1 15  19 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  19 10 o 53.84929 1.159773  28.95315       1.246677  31.43373       1.822807  26.77306       1.708841  4.320412       2.319545  
1 1 1 15  19 11 o 62.18317 1.202421  38.75533       1.495306  39.31524       2.116456  38.19730       2.112913  0.8986816      2.404842  
1 1 1 15  19 12 o 113.6973 1.810238  129.6756       4.109975  134.7522       6.019551  125.2423       5.625228  4.141411       3.620476  
1 1 1 15  19 13 o 22.61202 1.408458  5.076097       0.6304487 4.146860       0.8490067 6.218337       0.9412970 -4.572615      2.816915  
1 1 1 15  19 14 o 80.31905 1.391259  64.65026       2.232812  66.94534       3.244450  62.58528       3.077507  2.698730       2.782517  
1 1 1 15  19 15 o 9.493233 2.271786  0.8100486      0.5121740 0.6113999      0.6736199 1.082246       0.7885228 -1.923959      4.543572  
1 1 1 15  19 16 o 50.59126 0.6928933 25.62015       0.7010120 25.69348       0.9849971 25.54489       0.9978901 0.1474838      1.385787  
1 1 1 15  19 17 o 41.18217 0.6283676 16.96042       0.5173434 17.56539       0.7434661 16.39249       0.7203495 1.422951       1.256735  
1 1 1 15  19 18 o 78.88496 1.008406  62.32605       1.569569  62.66682       2.429875  62.08206       2.056071  0.3400574      2.016812  
1 1 1 15  19 19 o 102.1121 1.674658  104.5560       3.410125  110.3094       5.062044  99.77539       4.614287  5.093948       3.349317  
1 1 1 15  19 20 o 39.27850 0.9537519 15.97955       0.6287059 16.44186       0.7211776 14.51559       1.283326  2.498550       1.907504  
1 1 1 15  19 21 o 73.88759 0.8834918 54.67733       1.305047  56.00386       1.878826  53.44061       1.814105  1.728813       1.766984  
1 1 1 15  19 22 o 20.57282 0.6238168 4.244214       0.2558024 4.674232       0.3633695 3.821735       0.3601701 2.071692       1.247634  
1 1 1 15  19 23 o 19.42215 0.6575616 3.784134       0.2549555 3.964409       0.3560924 3.594517       0.3652034 0.9528923      1.315123  
1 1 1 15  19 24 o 23.73867 0.6304023 5.634398       0.2987338 5.517095       0.4083364 5.769478       0.4381883 -0.5294094     1.260805  
1 1 1 15  19 25 o 58.08420 1.087958  33.41024       1.192201  32.50977       1.451946  35.27376       2.088736  -2.294800      2.175915  
1 1 1 15  19 26 o 17.86431 0.7862186 3.352700       0.2660047 4.370061       0.3656400 2.208855       0.3877035 6.051106       1.572437  
1 1 1 15  19 27 o 19.22162 0.7514372 3.632976       0.2860138 3.065438       0.3772602 4.400091       0.4386051 -3.465502      1.502874  
1 1 1 15  19 28 o 30.09126 0.7381548 8.892608       0.4394695 7.833444       0.5729100 10.40683       0.6850147 -4.264315      1.476310  
1 1 1 15  19 29 o 37.67470 0.6667256 14.12980       0.5003241 13.26908       0.6715268 15.20375       0.7501070 -2.559937      1.333451  
1 1 1 15  19 30 o 57.07286 0.7780167 32.65250       0.8879572 32.28933       1.243591  33.03025       1.268296  -0.6461411     1.556033  
1 1 1 15  19 31 f 62.89008 0.8231280 39.52549       1.032444  37.71643       1.398108  41.69518       1.531136  -3.144596      1.646256  
1 1 1 15  19 32 o 62.80249 0.8234977 39.57279       1.034260  39.42889       1.451775  39.72109       1.473802  -0.2294388     1.646995  
1 1 1 15  19 33 o 8.940939 1.274693  0.7870407      0.2378799 0.2214026      0.3149658 1.538102       0.3629375 -6.854897      2.549385  
1 1 1 15  19 34 o 31.38428 1.160795  9.287117       0.6548737 11.38928       1.291043  8.558862       0.7598884 4.391550       2.321589  
1 1 1 15  19 35 o 25.92392 1.235173  6.502962       0.4817234 6.366109       0.5265312 7.205918       1.193328  -1.463322      2.470346  
1 1 1 15  19 36 o 23.23038 0.7916226 5.417645       0.3677433 5.418731       0.5244501 5.416594       0.5157930 0.3082275E-02  1.583245  
1 1 1 15  19 37 o 9.318964 1.404163  0.8990938      0.2736714 0.3292671      0.3769450 1.534261       0.3979701 -6.035189      2.808326  
1 1 1 15  19 38 o 21.81154 0.8877351 4.812575       0.3847167 5.289167       0.5345278 4.300359       0.5541456 2.270744       1.775470  
1 1 1 15  19 39 f 38.61030 0.8538805 14.99311       0.6590029 15.45809       0.9277256 14.51953       0.9362749 1.217270       1.707761  
1 1 1 15  19 40 o 33.76970 0.8402548 11.43389       0.5656669 12.78876       0.8199168 10.20327       0.7814185 3.820217       1.680510  
1 1 1 15  20 0  o 74.43135 0.8729719 55.43524       1.299194  56.34892       1.863349  54.57086       1.812386  1.192337       1.745944  
1 1 1 15  20 1  o 25.89488 0.5299120 6.667841       0.2736131 7.349025       0.4050613 6.096202       0.3710646 2.418194       1.059824  
1 1 1 15  20 2  o 91.14641 1.031798  83.09154       1.879254  85.67564       2.728005  80.75777       2.592502  2.690971       2.063596  
1 1 1 15  20 3  o 29.14332 1.765848  8.507669       1.027814  7.969856       1.413755  9.110602       1.496902  -1.949804      3.531696  
1 1 1 15  20 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  20 5  o 21.35744 1.436132  4.663021       0.5998677 5.637551       0.8349404 3.623314       0.8624083 4.717566       2.872263  
1 1 1 15  20 6  f 38.89759 1.088573  15.16934       0.8459436 15.46432       1.176473  14.85357       1.217259  0.7874565      2.177145  
1 1 1 15  20 7  o 77.19354 1.352888  59.68731       2.086735  58.24588       2.877290  61.28671       3.030874  -1.958290      2.705775  
1 1 1 15  20 8  o 136.2125 2.120716  186.7754       5.775242  184.1208       8.038491  189.6074       8.302772  -1.982758      4.241433  
1 1 1 15  20 9  o 39.35169 1.105753  15.50562       0.8684787 15.35102       1.187990  15.68308       1.272823  -0.4164696     2.211505  
1 1 1 15  20 10 o 97.26469 1.599294  95.02541       3.111084  95.40493       4.403991  94.64735       4.395494  0.3886032      3.198587  
1 1 1 15  20 11 o 21.41562 1.434315  4.526123       0.6066973 3.644172       0.8065292 5.675632       0.9207759 -4.732098      2.868631  
1 1 1 15  20 12 o 29.12302 1.169700  8.506443       0.6804243 8.543880       0.9398343 8.465208       0.9863829 0.1388798      2.339400  
1 1 1 15  20 13 o 33.84094 1.147798  11.49671       0.7744795 12.61842       1.101230  10.39893       1.089424  3.278355       2.295596  
1 1 1 15  20 14 o 51.43850 1.133916  26.03950       1.153365  23.42026       1.499717  29.83125       1.804439  -6.206726      2.267833  
1 1 1 15  20 15 o 63.79169 0.7914262 40.73482       1.009536  41.68834       1.443939  39.82301       1.411995  1.460068       1.582852  
1 1 1 15  20 16 o 34.09053 1.173539  11.64188       0.7954903 13.43772       1.152241  10.00641       1.099591  5.027540       2.347078  
1 1 1 15  20 17 o 35.90403 1.007965  13.17107       0.6485307 13.49859       0.7683527 12.35968       1.209360  1.623386       2.015929  
1 1 1 15  20 18 f 12.70075 0.6979412 1.647971       0.1727215 2.044500       0.2420021 1.236255       0.2465927 3.182170       1.395882  
1 1 1 15  20 19 o 16.45247 0.6166841 2.689862       0.2020504 2.500486       0.2708445 2.927505       0.3034042 -1.295698      1.233368  
1 1 1 15  20 20 o 63.31871 0.7974125 40.11549       1.009102  41.59784       1.461090  38.76353       1.395350  2.232628       1.594825  
1 1 1 15  20 21 f 31.36847 0.6074806 9.687187       0.3778448 8.558719       0.4969104 11.23402       0.5817752 -4.258722      1.214961  
1 1 1 15  20 22 o 39.86939 0.6481220 15.89446       0.5164288 16.65947       0.7465050 15.19231       0.7151827 1.837624       1.296244  
1 1 1 15  20 23 o 66.51111 0.8316729 44.34111       1.106209  44.21879       1.553041  44.46710       1.576046  -0.1843338     1.663346  
1 1 1 15  20 24 o 25.65082 0.6267980 6.604555       0.3205379 7.189122       0.4523846 6.015183       0.4542391 2.288458       1.253596  
1 1 1 15  20 25 o 75.97240 1.253356  58.21323       1.844364  58.67183       2.339158  57.45962       2.998631  0.9085159      2.506712  
1 1 1 15  20 26 o 47.90109 0.7094886 22.99454       0.6794315 23.15274       0.9493554 22.82842       0.9727958 0.3408279      1.418977  
1 1 1 15  20 27 f 26.97275 0.6484849 7.083925       0.3448983 5.937148       0.4466872 8.776950       0.5427447 -5.255138      1.296970  
1 1 1 15  20 28 o 60.73788 0.9217417 37.22167       1.092376  37.96599       1.406548  36.09036       1.734071  1.588516       1.843483  
1 1 1 15  20 29 o 13.16328 1.010662  1.830010       0.2498941 2.457524       0.3460846 1.146458       0.3612075 4.982357       2.021325  
1 1 1 15  20 30 o 61.45677 1.042689  37.92725       1.280741  39.22837       1.853310  36.73791       1.771913  2.011307       2.085377  
1 1 1 15  20 31 o 21.91232 0.7165110 4.742696       0.3116788 4.150632       0.4129894 5.526108       0.4750609 -3.130739      1.433022  
1 1 1 15  20 32 o 41.40128 1.524953  17.00493       1.222602  18.69685       2.036744  16.05188       1.528643  3.052341       3.049906  
1 1 1 15  20 33 o 32.74866 0.8235657 10.83157       0.5196370 11.01983       0.6556318 10.51351       0.8521780 0.8045959      1.647131  
1 1 1 15  20 34 f 33.64899 0.7647506 11.27115       0.5125225 12.41001       0.7683111 10.35804       0.6879599 3.036514       1.529501  
1 1 1 15  20 35 o 52.65245 0.9061152 27.90217       0.9528292 26.98413       1.369633  28.76319       1.326414  -1.698181      1.812230  
1 1 1 15  20 36 o 11.46116 1.299024  1.312701       0.2956051 1.210052       0.3903926 1.450644       0.4525603 -1.031542      2.598048  
1 1 1 15  20 37 o 22.74324 0.8542230 5.169520       0.3864706 4.940679       0.5159866 5.461948       0.5832840 -1.132280      1.708446  
1 1 1 15  20 38 o 20.99290 0.8733608 4.444853       0.3654173 4.662031       0.5046334 4.205434       0.5298442 1.093008       1.746722  
1 1 1 15  20 39 f 23.76754 0.8845574 5.714076       0.4148827 6.870750       0.5925274 4.601568       0.5811047 4.771219       1.769115  
1 1 1 15  21 0  o 130.7568 1.415797  171.4580       3.701825  169.6478       5.176258  173.3530       5.296143  -1.407669      2.831594  
1 1 1 15  21 1  o 161.1687 1.721595  260.9330       5.549290  261.6056       7.868754  260.2675       7.827174  0.4112244      3.443190  
1 1 1 15  21 2  o 94.11217 1.059820  88.69901       1.994423  89.96719       2.856259  87.49233       2.786128  1.310768       2.119640  
1 1 1 15  21 3  o 132.6198 1.434080  176.3701       3.802393  179.3096       5.466112  173.6140       5.292864  2.133484       2.868161  
1 1 1 15  21 4  o 139.4060 1.879988  192.5029       4.807339  188.2018       5.719993  202.8485       8.871317  -4.920395      3.759976  
1 1 1 15  21 5  o 31.85340 1.139547  10.15272       0.7238154 9.973957       0.9825982 10.36481       1.070271  -0.6076107     2.279093  
1 1 1 15  21 6  o 86.72762 1.470062  74.63178       2.528073  69.26456       3.322624  82.01082       3.895886  -7.296066      2.940125  
1 1 1 15  21 7  o 57.88222 1.167730  33.52730       1.349754  32.54396       1.848645  34.65002       1.975327  -1.809517      2.335459  
1 1 1 15  21 8  o 63.48339 1.229205  40.42516       1.560479  40.75813       2.195037  40.08492       2.218858  0.5322495      2.458410  
1 1 1 15  21 9  o 35.79488 1.154275  12.86683       0.8215011 14.68330       1.175396  11.13216       1.148623  4.958248       2.308550  
1 1 1 15  21 10 o 66.14648 1.256749  43.79854       1.660794  46.02009       2.417069  41.81163       2.285854  3.169609       2.513497  
1 1 1 15  21 11 o 78.61344 1.391929  62.03804       2.188319  62.88676       3.117663  61.21381       3.072336  1.059433       2.783859  
1 1 1 15  21 12 o 31.14000 1.209010  9.709391       0.7511830 9.468873       1.022452  9.991470       1.107277  -0.8310776     2.418019  
1 1 1 15  21 13 o 34.67344 1.177591  11.95694       0.8128656 10.95963       1.088192  13.21593       1.222651  -3.240570      2.355181  
1 1 1 15  21 14 o 50.10140 0.9607167 25.26044       0.8374824 25.36735       0.9704405 24.94851       1.657667  0.4725685      1.921433  
1 1 1 15  21 15 o 61.58575 0.8608762 37.18293       1.021570  35.12694       1.267910  40.98732       1.724728  -4.722370      1.721752  
1 1 1 15  21 16 o 78.11804 1.005253  61.21991       1.550222  61.35458       2.036481  61.03434       2.390523  0.2395554      2.010506  
1 1 1 15  21 17 o 80.26378 1.032968  63.28078       1.597813  59.88230       1.984203  69.54956       2.694853  -5.946426      2.065935  
1 1 1 15  21 18 o 36.19668 0.7042136 13.06154       0.4882905 12.91600       0.6069919 13.32844       0.8219970 -0.5539055     1.408427  
1 1 1 15  21 19 o 42.05861 0.7329814 17.55909       0.5943578 17.13596       0.7428851 18.31167       0.9907441 -1.377850      1.465963  
1 1 1 15  21 20 o 25.89656 0.7216774 6.875521       0.3540148 7.253575       0.4423822 6.202272       0.5903483 2.041933       1.443355  
1 1 1 15  21 21 o 13.04769 0.7551431 1.713864       0.1957597 1.789982       0.2657787 1.623601       0.2894220 0.6397696      1.510286  
1 1 1 15  21 22 o 33.75248 0.6242668 11.31319       0.4193908 10.45749       0.5605642 12.40112       0.6320694 -2.873444      1.248534  
1 1 1 15  21 23 o 6.196335 1.241160  0.3620630      0.1712906 0.1661940      0.2286976 0.6123400      0.2585171 -2.911790      2.482319  
1 1 1 15  21 24 f 32.33964 0.6372222 10.37867       0.4099045 9.582891       0.5459407 11.40697       0.6205934 -2.813633      1.274444  
1 1 1 15  21 25 o 38.12817 1.089450  14.75633       0.7446926 14.94843       0.8798430 14.27109       1.398328  0.9675217      2.178900  
1 1 1 15  21 26 o 37.75043 0.6622210 14.12784       0.4970156 12.93850       0.6604084 15.68139       0.7547793 -3.623722      1.324442  
1 1 1 15  21 27 o 39.23119 0.6701011 15.41038       0.5253742 16.28670       0.7533147 14.58050       0.7330810 2.172401       1.340202  
1 1 1 15  21 28 f 26.55808 0.6588913 7.041586       0.3479505 8.175303       0.5082616 6.041598       0.4773449 4.013548       1.317783  
1 1 1 15  21 29 o 26.13092 0.6675656 6.851494       0.3484654 7.135995       0.4885789 6.556935       0.4971418 1.109005       1.335131  
1 1 1 15  21 30 o 69.60152 1.681042  48.87588       2.242124  50.05652       3.770581  48.23005       2.788729  1.018867       3.362083  
1 1 1 15  21 31 o 87.70470 1.390917  77.41722       2.432842  81.70776       3.609858  73.84674       3.293043  4.397163       2.781835  
1 1 1 15  21 32 o 49.62322 0.9128351 24.74139       0.9057353 24.78195       1.267557  24.69909       1.294680  0.8843231E-01  1.825670  
1 1 1 15  21 33 f 42.26163 0.8478283 17.93260       0.7163261 18.66127       1.022919  17.23143       1.003438  1.688072       1.695657  
1 1 1 15  21 34 o 24.77579 0.7886887 6.149852       0.3887961 6.044786       0.5219407 6.280828       0.5827533 -0.4657841     1.577377  
1 1 1 15  21 35 o 21.51517 0.8129765 4.688413       0.3467535 5.228119       0.4807498 4.103170       0.5006207 2.617981       1.625953  
1 1 1 15  21 36 o 33.44808 0.7972901 11.13467       0.5305750 10.25314       0.7075724 12.26705       0.8019514 -2.991879      1.594580  
1 1 1 15  21 37 o 19.21592 0.8769106 3.735629       0.3348228 4.022954       0.4606301 3.413757       0.4875366 1.590897       1.753821  
1 1 1 15  21 38 o 48.24746 1.320270  0.000000       0.000000  ?              ?         23.42475       1.273993  ?              ?         
1 1 1 15  22 0  o 86.41892 1.350423  74.67014       2.328034  71.53658       3.158158  78.39924       3.445214  -3.945816      2.700846  
1 1 1 15  22 1  o 118.7138 1.801682  141.7825       4.277684  141.4742       6.044533  142.0918       6.054598  -0.2589035     3.603364  
1 1 1 15  22 2  o 75.64983 0.9669405 56.23737       1.421313  61.83678       2.348008  52.99903       1.785622  5.804237       1.933881  
1 1 1 15  22 3  o 107.0124 1.186786  114.8293       2.539900  114.2900       3.571880  115.3809       3.612386  -0.5063477     2.373571  
1 1 1 15  22 4  o 123.5905 1.346892  153.0563       3.325145  157.9238       4.849975  148.7391       4.567644  3.689041       2.693784  
1 1 1 15  22 5  o 36.68472 0.5940776 13.38307       0.4344737 12.36967       0.5869691 14.61117       0.6461649 -3.052612      1.188155  
1 1 1 15  22 6  o 16.85965 0.5064779 2.830461       0.1703046 3.024789       0.2526579 2.668652       0.2305514 1.055391       1.012956  
1 1 1 15  22 7  o 28.97935 0.9408813 7.172984       0.3786267 6.755446       0.4034567 10.25538       1.096208  -5.992382      1.881763  
1 1 1 15  22 8  o 47.25166 0.9491914 22.95271       0.7878422 23.62973       0.9237257 21.14585       1.509043  2.669537       1.898383  
1 1 1 15  22 9  o 36.53128 1.166081  13.43465       0.8476189 14.96672       1.197205  11.89482       1.200230  4.204762       2.332162  
1 1 1 15  22 10 o 50.88078 1.169502  25.97499       1.189945  26.15939       1.672926  25.78614       1.692924  0.3687477      2.339004  
1 1 1 15  22 11 o 66.00629 1.077597  43.42982       1.275279  43.10333       1.498784  44.28621       2.427404  -0.8113251     2.155194  
1 1 1 15  22 12 f 34.60918 0.5850845 11.91721       0.4036309 11.12959       0.5443094 12.87943       0.6016250 -2.524933      1.170169  
1 1 1 15  22 13 o 37.75310 0.6043398 14.22877       0.4556888 15.19904       0.6640151 13.36503       0.6265022 2.426746       1.208680  
1 1 1 15  22 14 o 50.80333 0.6982512 25.53942       0.7041680 23.45387       0.9290314 28.35530       1.079513  -4.813107      1.396502  
1 1 1 15  22 15 o 33.58160 0.5913134 11.24612       0.3963343 10.61273       0.5399460 11.98605       0.5835984 -2.042038      1.182627  
1 1 1 15  22 16 o 72.32159 0.8737563 51.83077       1.253382  48.08333       1.649069  56.95685       1.928697  -6.108414      1.747513  
1 1 1 15  22 17 o 22.42527 0.5576591 5.015324       0.2495722 4.596577       0.3421976 5.491162       0.3647804 -1.993166      1.115318  
1 1 1 15  22 18 o 56.08860 0.7431898 31.47647       0.8327867 30.68421       1.146176  32.36243       1.212060  -1.490223      1.486380  
1 1 1 15  22 19 o 7.802835 0.9532401 0.6761056      0.1371391 0.3026628      0.1968379 1.028366       0.1911739 -4.660072      1.906480  
1 1 1 15  22 20 o 33.09066 0.6124187 10.88848       0.4036730 12.32869       0.5978216 9.681500       0.5472803 3.995844       1.224837  
1 1 1 15  22 21 o 37.13238 0.6372268 13.70733       0.4712619 12.70837       0.6321981 14.95660       0.7069853 -3.020859      1.274454  
1 1 1 15  22 22 o 10.39418 0.7781909 1.080666       0.1614106 1.187737       0.2336889 0.9829825      0.2232096 0.9838247      1.556382  
1 1 1 15  22 23 f 53.17872 0.7412869 28.15066       0.7845538 26.50886       1.048457  30.23974       1.182683  -3.493431      1.482574  
1 1 1 15  22 24 o 57.17776 0.8669601 32.99087       0.9740778 33.91543       1.274660  31.69303       1.510208  1.973236       1.733920  
1 1 1 15  22 25 o 34.14059 1.104666  10.14712       0.6302198 9.048221       0.7015425 14.74217       1.434561  -8.211597      2.209333  
1 1 1 15  22 26 o 29.67664 0.6423680 8.830701       0.3809194 8.995977       0.5306197 8.654958       0.5471641 0.5763798      1.284736  
1 1 1 15  22 27 o 8.732965 1.845273  0.8440812      0.2824907 0.2529292E-01  0.9289987 0.9275044      0.2965326 -1.738506      3.690547  
1 1 1 15  22 28 o 13.00675 2.118001  1.598565       0.4127297 1.531062       0.4459705 2.001408       1.089469  -1.367501      4.236002  
1 1 1 15  22 29 o 44.90678 0.7831836 20.26017       0.6959381 20.03206       1.061332  20.43222       0.9217684 -0.4659462     1.566367  
1 1 1 15  22 30 o 68.85666 1.136537  47.75443       1.565128  48.17327       2.221220  47.34140       2.205713  0.6005630      2.273075  
1 1 1 15  22 31 o 79.56029 1.279980  63.87288       2.035753  62.90409       2.827994  64.91485       2.932848  -1.235893      2.559960  
1 1 1 15  22 32 o 78.11089 1.262806  61.61327       1.972522  62.54864       2.817363  60.71394       2.762579  1.158966       2.525612  
1 1 1 15  22 33 o 56.31413 0.9880332 31.75107       1.108647  30.19911       1.491964  33.66458       1.656665  -3.040607      1.976066  
1 1 1 15  22 34 o 21.97424 0.8078804 4.850615       0.3528693 4.857753       0.4737406 4.841718       0.5288621 0.4699135E-01  1.615761  
1 1 1 15  22 35 o 24.21143 0.7943759 5.865227       0.3835679 5.598670       0.5192540 6.185366       0.5690540 -1.201620      1.588752  
1 1 1 15  22 36 o 12.46065 1.150430  1.514158       0.2800743 1.134008       0.3635558 2.069134       0.4392693 -3.731176      2.300859  
1 1 1 15  23 0  o 75.76228 0.8963256 57.49329       1.358146  57.52248       1.917917  57.46394       1.923514  0.3900146E-01  1.792651  
1 1 1 15  23 1  o 49.47569 0.7231483 24.55403       0.7137522 25.34929       0.9851400 23.67530       1.035541  1.694420       1.446297  
1 1 1 15  23 2  o 75.38167 1.192926  56.90774       1.796162  58.70082       2.621632  55.32143       2.465834  2.227333       2.385853  
1 1 1 15  23 3  f 92.70467 1.432027  85.27566       2.628928  93.69123       4.076372  79.28297       3.439875  7.698982       2.864053  
1 1 1 15  23 4  o 36.39635 0.7052692 13.15509       0.5107939 14.32118       0.7712021 12.24374       0.6817783 2.848782       1.410538  
1 1 1 15  23 5  o 47.71548 1.642408  0.000000       0.000000  ?              ?         22.83987       1.567365  ?              ?         
1 1 1 15  23 6  f 66.12181 1.268202  43.77919       1.674962  46.28422       2.443637  41.55930       2.300358  3.557449       2.536403  
1 1 1 15  23 7  f 36.29280 0.9405906 12.71817       0.5332952 12.44129       0.5887693 13.98326       1.258515  -2.071594      1.881181  
1 1 1 15  23 8  o 78.75726 0.9336191 61.73590       1.463148  58.14106       1.953728  66.32699       2.207917  -5.175301      1.867238  
1 1 1 15  23 9  o 32.76262 0.5832375 10.74342       0.3821559 10.69957       0.5379389 10.78809       0.5429966 -0.1348114     1.166475  
1 1 1 15  23 10 o 68.63072 0.8452185 46.76679       1.152617  43.64179       1.527925  50.89354       1.755827  -5.263718      1.690437  
1 1 1 15  23 11 o 47.83905 0.6862852 22.90339       0.6562901 22.50235       0.9108571 23.33637       0.9464334 -0.8691521     1.372570  
1 1 1 15  23 12 o 70.68542 0.8655093 50.04010       1.222726  49.17622       1.692320  50.98360       1.768592  -1.271515      1.731019  
1 1 1 15  23 13 f 49.33177 0.6920518 24.31276       0.6819262 25.59676       0.9953946 23.17715       0.9361117 2.447945       1.384104  
1 1 1 15  23 14 f 17.65242 0.5419281 3.087820       0.1899365 2.614958       0.2559458 3.667417       0.2833633 -2.979387      1.083856  
1 1 1 15  23 15 o 26.62361 0.5639415 7.040292       0.2991086 6.392932       0.4029097 7.835082       0.4464381 -2.705507      1.127883  
1 1 1 15  23 16 o 42.04319 0.6497526 17.65936       0.5456681 18.83874       0.7934927 16.60124       0.7515932 2.657600       1.299505  
1 1 1 15  23 17 o 57.23360 0.7593105 32.81382       0.8688538 32.40110       1.209870  33.25332       1.248532  -0.7407227     1.518621  
1 1 1 15  23 18 o 33.77028 0.6081138 11.41398       0.4106089 11.09903       0.5731003 11.74618       0.5885866 -0.9569054     1.216228  
1 1 1 15  23 19 o 26.45991 0.5835477 6.935997       0.3069654 8.069624       0.4599748 6.025727       0.4121768 3.858459       1.167095  
1 1 1 15  23 20 o 14.01297 0.6535338 1.966250       0.1829605 2.095092       0.2615971 1.842878       0.2559845 0.8994150      1.307068  
1 1 1 15  23 21 o 73.74983 0.9000962 54.53874       1.327199  55.90641       1.907035  53.25411       1.848232  1.790443       1.800192  
1 1 1 15  23 22 f 18.35148 0.6221267 3.366670       0.2279907 3.116372       0.3154963 3.640238       0.3298366 -1.425993      1.244253  
1 1 1 15  23 23 o 21.68012 0.6201312 4.681574       0.2680441 4.227582       0.3646697 5.215106       0.3953266 -2.274467      1.240262  
1 1 1 15  23 24 o 30.36378 0.6296558 9.211467       0.3813958 8.897912       0.5178218 9.583261       0.5638652 -1.123569      1.259312  
1 1 1 15  23 25 o 29.29232 1.501566  8.739776       0.8727871 9.401460       1.193827  7.980062       1.279206  2.448687       3.003132  
1 1 1 15  23 26 o 25.00055 0.7973968 6.090658       0.3679386 5.822981       0.4377885 6.734545       0.6789891 -1.789276      1.594794  
1 1 1 15  23 27 o 41.83664 0.7555902 17.52932       0.6267332 17.75251       0.9538948 17.35979       0.8313564 0.4521713      1.511180  
1 1 1 15  23 28 o 7.052438 1.420941  0.5052847      0.2092264 0.4322997      0.2767744 0.6026081      0.3196080 -1.078241      2.841881  
1 1 1 15  23 29 o 15.44325 0.8664165 2.423643       0.2641572 2.640704       0.3571540 2.161505       0.3924906 1.557638       1.732833  
1 1 1 15  23 30 o 29.64365 0.7503232 8.722055       0.4422371 7.921739       0.5880646 9.763819       0.6709318 -3.093153      1.500646  
1 1 1 15  23 31 o 37.06271 0.7961358 13.79583       0.5899199 14.08831       0.8294009 13.49638       0.8392315 0.8002701      1.592272  
1 1 1 15  23 32 o 68.25439 1.132150  46.92050       1.543842  45.82329       2.125722  48.14524       2.245873  -1.669518      2.264299  
1 1 1 15  23 33 o 13.92143 0.9885008 1.977063       0.2715378 2.198845       0.3700818 1.718433       0.3996446 1.732642       1.977002  
1 1 1 15  23 34 o 7.758451 1.501119  0.6391042      0.2418846 0.7397698      0.3223333 0.5093471      0.3659571 1.244620       3.002238  
1 1 1 15  23 35 o 53.19812 1.178381  27.97729       1.166353  30.23632       2.108857  26.98174       1.399962  2.848499       2.356762  
1 1 1 15  24 0  o 53.31398 0.9709398 27.38619       0.8993673 30.73317       1.838980  26.33400       1.031087  4.058594       1.941880  
1 1 1 15  24 1  o 63.91132 1.250049  40.92640       1.596179  42.85695       2.322480  39.19822       2.197386  2.848438       2.500098  
1 1 1 15  24 2  o 90.24687 1.537110  81.63841       2.767911  86.29815       4.088825  77.69679       3.760579  4.719505       3.074219  
1 1 1 15  24 3  o 25.50294 1.061611  6.718210       0.3855072 6.804352       0.4193241 6.247837       0.9798568 1.142067       2.123221  
1 1 1 15  24 4  o 15.71022 0.5755677 2.439953       0.1797296 2.799578       0.2721297 2.161717       0.2393633 2.028253       1.151135  
1 1 1 15  24 5  o 49.72591 0.7840018 24.17186       0.7463666 22.81952       0.9184703 26.80108       1.280667  -3.975040      1.568004  
1 1 1 15  24 6  o 52.19804 0.8881452 27.30701       0.9271344 27.49106       1.319821  27.12772       1.302679  0.3464699      1.776290  
1 1 1 15  24 7  o 23.38785 0.6112420 5.365681       0.2828837 6.543606       0.4351167 4.503299       0.3723032 4.357889       1.222484  
1 1 1 15  24 8  f 32.15746 0.6509099 10.34992       0.4181744 9.696362       0.5848818 11.03339       0.5981163 -2.077965      1.301820  
1 1 1 15  24 9  f 47.60701 0.6846941 22.68683       0.6517559 22.27183       0.9091371 23.12562       0.9348443 -0.8948021     1.369388  
1 1 1 15  24 10 o 23.22366 0.5522150 5.398931       0.2564722 5.351216       0.3636587 5.446149       0.3617615 -0.2045059     1.104430  
1 1 1 15  24 11 o 23.35745 0.5489014 5.449137       0.2560858 5.090037       0.3536127 5.845184       0.3713586 -1.615374      1.097803  
1 1 1 15  24 12 o 62.31107 0.7921907 38.87075       0.9867342 40.17510       1.423333  37.66383       1.369149  2.009956       1.584381  
1 1 1 15  24 13 f 15.85577 0.5673690 2.505643       0.1782581 2.063169       0.2436080 3.015639       0.2615356 -3.002284      1.134738  
1 1 1 15  24 14 o 73.79387 0.8939252 54.42713       1.316346  57.34819       1.942941  51.94872       1.789679  3.640717       1.787850  
1 1 1 15  24 15 o 27.38752 0.5760708 7.432957       0.3137074 8.630752       0.4695804 6.467485       0.4215882 3.945663       1.152142  
1 1 1 15  24 16 o 42.06556 0.6479309 17.68638       0.5445361 18.70305       0.7910276 16.77065       0.7507322 2.293343       1.295862  
1 1 1 15  24 17 o 13.77058 0.6614091 1.898061       0.1802333 2.288767       0.2618859 1.546492       0.2484232 2.693925       1.322818  
1 1 1 15  24 18 o 57.73338 0.7679804 33.22656       0.8834776 31.36788       1.188663  35.52066       1.320574  -3.581852      1.535961  
1 1 1 15  24 19 o 19.68001 0.5922406 3.873971       0.2327558 4.184211       0.3350701 3.584672       0.3235641 1.522221       1.184481  
1 1 1 15  24 20 o 23.96025 0.5970905 5.720420       0.2847026 6.589534       0.4178146 4.967089       0.3889896 3.383093       1.194181  
1 1 1 15  24 21 o 22.34699 0.6011324 4.986062       0.2676696 5.630099       0.3898150 4.411487       0.3681935 2.724436       1.202265  
1 1 1 15  24 22 o 10.50768 2.640392  0.9952512      0.6945230 0.9332412      0.9234689 1.075998       1.053790  -0.7001371     5.280784  
1 1 1 15  24 23 o 45.08089 1.055437  20.42079       0.7812048 20.40960       0.8816115 20.46170       1.685538  0.8488846E-01  2.110873  
1 1 1 15  24 24 o 23.72894 0.6526403 5.641657       0.3091559 5.659957       0.4514897 5.625503       0.4242091 0.6942940E-01  1.305281  
1 1 1 15  24 25 o 44.23478 1.424450  21.61623       1.022442  23.22139       1.174339  16.58749       2.078570  7.718246       2.848900  
1 1 1 15  24 26 o 32.33480 0.7223253 10.48531       0.4671013 10.63523       0.6631214 10.33766       0.6580694 0.4594078      1.444651  
1 1 1 15  24 27 f 22.31074 0.7000561 4.988409       0.3122652 5.166466       0.4477985 4.819865       0.4356706 0.7750397      1.400112  
1 1 1 15  24 28 o 34.30411 0.9556697 11.74362       0.5968347 11.61560       0.7081524 12.05752       1.108909  -0.5606728     1.911339  
1 1 1 15  24 29 f 33.11152 0.7504522 11.00346       0.4965727 11.58416       0.7060788 10.43516       0.6985022 1.733803       1.500904  
1 1 1 15  24 30 o 42.73981 0.8311031 18.32768       0.7099907 19.19023       1.022893  17.52580       0.9862652 1.940208       1.662206  
1 1 1 15  24 31 o 52.82085 0.9439867 27.92457       0.9932195 26.52488       1.334217  29.66434       1.487501  -2.936394      1.887973  
1 1 1 15  24 32 o 5.204858 1.469669  0.1399346      0.2310779 0.1847192      0.3078617 0.8214696E-01  0.3497108 0.1683426      2.939338  
1 1 1 15  24 33 o 66.57819 1.584147  0.000000       0.000000  ?              ?         44.71756       2.109393  ?              ?         
1 1 1 15  25 0  o 30.55636 0.5983276 9.347526       0.3656250 9.266789       0.5188429 9.427169       0.5153188 -0.2626553     1.196655  
1 1 1 15  25 1  o 48.78778 0.6953916 23.83659       0.6785221 23.81817       0.9567989 23.85522       0.9623757 -0.3755951E-01 1.390783  
1 1 1 15  25 2  o 71.36813 0.8667842 51.02630       1.236756  50.27481       1.721172  51.82852       1.778300  -1.083275      1.733568  
1 1 1 15  25 3  o 11.26797 0.7332302 1.242012       0.1632815 1.520527       0.2537367 1.045162       0.2133173 2.106189       1.466460  
1 1 1 15  25 4  o 113.5595 1.257645  129.2883       2.850855  125.0360       3.889722  134.2237       4.190493  -4.003906      2.515290  
1 1 1 15  25 5  f 41.57313 0.6494270 17.22261       0.5386513 18.63994       0.7954527 16.02228       0.7320294 3.143642       1.298854  
1 1 1 15  25 6  o 52.06447 0.7136891 26.85360       0.7380230 24.73165       0.9761184 29.68549       1.127648  -4.744976      1.427378  
1 1 1 15  25 7  o 25.33298 0.5822967 6.413306       0.2947606 6.737310       0.4275554 6.119823       0.4069189 1.217323       1.164593  
1 1 1 15  25 8  o 40.13383 0.6623643 16.05071       0.5281374 15.47208       0.7021265 16.80470       0.8014975 -1.652248      1.324729  
1 1 1 15  25 9  f 21.32694 0.6087655 4.555888       0.2594832 4.351031       0.3662812 4.762281       0.3676521 -0.9640541     1.217531  
1 1 1 15  25 10 o 25.61262 0.6184195 6.501116       0.3151175 7.312406       0.4755137 5.865853       0.4207765 2.819538       1.236839  
1 1 1 15  25 11 o 27.56607 0.6293392 7.606995       0.3468805 7.378903       0.4854075 7.845041       0.4958864 -0.8446178     1.258678  
1 1 1 15  25 12 o 20.41344 0.5926611 4.183559       0.2412847 3.978398       0.3489176 4.371580       0.3340255 -0.9642372     1.185322  
1 1 1 15  25 13 o 29.30825 0.5866687 8.600901       0.3438793 8.553143       0.4847074 8.649300       0.4879463 -0.1637821     1.173337  
1 1 1 15  25 14 o 87.53537 1.021855  76.85677       1.787399  75.03281       2.466348  78.87442       2.594010  -2.176041      2.043710  
1 1 1 15  25 15 o 18.06658 0.5847202 3.261576       0.2107618 3.599058       0.3052245 2.954011       0.2913816 1.784019       1.169440  
1 1 1 15  25 16 o 64.40253 0.8231856 41.55125       1.059351  40.66134       1.461683  42.53587       1.537489  -1.446175      1.646371  
1 1 1 15  25 17 o 46.30167 0.6902962 21.48540       0.6391104 21.69434       0.8977150 21.27065       0.9100894 0.4588165      1.380592  
1 1 1 15  25 18 o 18.04428 0.5917130 3.260759       0.2134193 3.412669       0.3039699 3.113071       0.2997161 0.8297691      1.183426  
1 1 1 15  25 19 f 32.10910 1.389607  10.42655       0.8891075 10.66705       1.215096  10.14939       1.304427  0.8273811      2.779214  
1 1 1 15  25 20 o 17.94584 1.845700  3.721759       0.3206998 3.792127       0.3340064 2.891024       1.147614  3.019413       3.691401  
1 1 1 15  25 21 o 27.11981 0.6270764 7.379088       0.3396669 7.043467       0.4848978 7.702438       0.4759503 -1.215918      1.254153  
1 1 1 15  25 22 o 27.95431 0.6558377 7.757793       0.3646582 8.547432       0.5522088 7.147167       0.4855980 2.496656       1.311675  
1 1 1 15  25 23 o 35.59143 0.7316083 12.69887       0.5206727 12.40604       0.7279083 13.00567       0.7450768 -0.8399849     1.463217  
1 1 1 15  25 24 o 49.46952 1.090355  23.99228       0.9925572 26.27905       1.837132  23.04962       1.179526  3.123032       2.180709  
1 1 1 15  25 25 o 15.61778 1.036670  2.446759       0.3238097 2.446759       0.3238097 ?              ?         ?              ?         
1 1 1 15  25 26 f 43.91867 0.8254535 19.37099       0.7250154 19.65818       1.028148  19.08694       1.022528  0.6493034      1.650907  
1 1 1 15  25 27 o 29.34934 0.7130426 8.629140       0.4181527 8.377588       0.5763150 8.908782       0.6076422 -0.9000244     1.426085  
1 1 1 15  25 28 o 25.36465 0.7083059 6.441905       0.3588923 6.890099       0.5196589 6.033181       0.4962507 1.685404       1.416612  
1 1 1 15  25 29 o 12.87150 0.9510940 1.724281       0.2277119 0.9905562      0.3160510 2.516310       0.3283685 -5.924217      1.902188  
1 1 1 15  25 30 o 29.14074 0.7415354 8.529080       0.4318149 8.641560       0.6008805 8.408954       0.6209721 0.4028339      1.483071  
1 1 1 15  25 31 f 11.31031 2.306086  0.000000       0.000000  ?              ?         1.348420       0.5035744 ?              ?         
1 1 1 15  26 0  o 44.81751 1.164660  20.09134       1.040973  19.08678       1.408811  21.29936       1.544900  -2.449570      2.329319  
1 1 1 15  26 1  o 43.93179 0.6659619 19.31353       0.5848955 18.74697       0.8133168 19.92039       0.8417499 -1.333225      1.331924  
1 1 1 15  26 2  o 17.31050 0.6130634 2.972367       0.2111908 3.298375       0.3185194 2.716610       0.2821201 1.677643       1.226127  
1 1 1 15  26 3  o 12.01115 0.7751424 1.442412       0.1858541 1.573826       0.2694052 1.323076       0.2567277 1.042596       1.550285  
1 1 1 15  26 4  o 56.62825 0.7540345 31.97868       0.8513133 30.27411       1.149663  34.04799       1.266707  -3.320915      1.508069  
1 1 1 15  26 5  o 28.56031 0.5952092 8.167602       0.3399660 8.287817       0.4815562 8.048154       0.4800164 0.4194565      1.190418  
1 1 1 15  26 6  o 49.57811 0.7020673 24.62519       0.6960779 24.61311       0.9776040 24.63762       0.9913455 -0.2342987E-01 1.404135  
1 1 1 15  26 7  o 45.54292 0.6746158 20.69944       0.6130460 19.67786       0.8328961 21.90719       0.9056184 -2.440895      1.349232  
1 1 1 15  26 8  o 49.33421 0.7008164 24.36613       0.6911515 23.81245       0.9594003 24.96351       0.9965284 -1.163059      1.401633  
1 1 1 15  26 9  o 76.94702 0.9248384 59.33033       1.421759  57.88659       1.957412  60.94264       2.068529  -1.971725      1.849677  
1 1 1 15  26 10 o 13.92179 0.6681670 1.946209       0.1854103 1.764081       0.2624834 2.127579       0.2619371 -1.305551      1.336334  
1 1 1 15  26 11 o 70.79151 0.8763925 50.23330       1.240260  51.52668       1.787275  49.03197       1.722502  1.753815       1.752785  
1 1 1 15  26 12 o 35.42516 0.6630663 12.49181       0.4643440 12.07007       0.6074349 13.08476       0.7202463 -1.421234      1.326133  
1 1 1 15  26 13 o 67.08318 1.085013  44.95763       1.449471  42.52958       1.943753  47.99914       2.175488  -4.039574      2.170027  
1 1 1 15  26 14 o 35.80920 0.7093840 12.80420       0.5070559 12.09349       0.6913280 13.63165       0.7459543 -2.141747      1.418768  
1 1 1 15  26 15 o 64.18002 0.9448385 41.62137       1.194154  39.77254       1.835261  42.97884       1.572584  -2.538212      1.889677  
1 1 1 15  26 16 o 74.46747 1.447809  55.32606       2.138935  50.81474       2.815344  61.48505       3.289533  -7.045853      2.895618  
1 1 1 15  26 17 o 28.18329 1.296907  8.677986       0.4669567 8.901628       0.5001428 7.158561       1.303638  3.252409       2.593813  
1 1 1 15  26 18 o 39.67323 0.6842664 15.61742       0.5400064 13.71617       0.7254010 17.98066       0.8087482 -5.364460      1.368533  
1 1 1 15  26 19 o 22.55003 0.6129202 5.095477       0.2763851 5.031556       0.3926132 5.158273       0.3891449 -0.2813473     1.225840  
1 1 1 15  26 20 f 22.60659 0.6495728 5.057716       0.2908216 4.164989       0.3898674 6.177635       0.4366680 -4.445807      1.299146  
1 1 1 15  26 21 o 10.44146 0.8134407 1.089383       0.1694883 1.185220       0.2492166 1.006914       0.2311832 0.8509541      1.626881  
1 1 1 15  26 22 o 52.07064 0.9039201 27.15662       0.9394566 26.00378       1.279971  28.50295       1.383212  -2.381104      1.807840  
1 1 1 15  26 23 o 31.77972 0.7027261 10.06316       0.4451762 9.230477       0.6016487 11.07063       0.6617880 -2.886131      1.405452  
1 1 1 15  26 24 o 27.28619 0.9545704 0.000000       0.000000  ?              ?         7.466772       0.5209318 ?              ?         
1 1 1 15  26 25 o 18.44375 0.7060314 3.359196       0.2573326 4.191703       0.3892533 2.712890       0.3429711 4.001785       1.412063  
1 1 1 15  26 26 o 13.92983 0.8014081 1.957987       0.2218931 1.720482       0.3154286 2.190661       0.3122045 -1.688262      1.602816  
1 1 1 15  26 27 o 35.28862 0.7492355 12.46729       0.5280643 13.28521       0.7701734 11.74166       0.7254252 2.178783       1.498471  
1 1 1 15  26 28 o 30.30202 0.8773599 9.281068       0.5081866 9.062229       0.8497438 9.402919       0.6340751 -0.6086845     1.754720  
1 1 1 15  26 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  27 0  o 31.23199 0.6191190 9.640677       0.3839625 10.89348       0.5872579 8.705239       0.5074521 3.496504       1.238238  
1 1 1 15  27 1  f 54.29116 0.7390339 29.48234       0.8016169 30.74418       1.166811  28.35437       1.103179  2.194527       1.478068  
1 1 1 15  27 2  o 17.36971 1.837102  3.140014       0.6136456 3.517283       0.8384166 2.704741       0.9005644 2.588223       3.674204  
1 1 1 15  27 3  o 69.67944 0.8603236 48.67683       1.198578  48.11415       1.671057  49.27303       1.720097  -0.8257904     1.720647  
1 1 1 15  27 4  o 56.38414 0.7608036 31.86355       0.8579098 32.26815       1.216187  31.46281       1.210370  0.7135353      1.521607  
1 1 1 15  27 5  o 51.54203 0.7225786 26.55399       0.7437614 25.40693       1.018497  27.86460       1.088682  -2.376938      1.445157  
1 1 1 15  27 6  o 53.15288 0.7385599 28.26657       0.7842911 29.35236       1.141953  27.29714       1.079030  1.926582       1.477120  
1 1 1 15  27 7  o 32.93387 0.6220546 10.83238       0.4091410 10.18698       0.5616225 11.56225       0.5972444 -2.084682      1.244109  
1 1 1 15  27 8  o 49.13166 0.7029802 24.16540       0.6903147 23.57867       0.9553212 24.80651       0.9986227 -1.245068      1.405960  
1 1 1 15  27 9  o 32.48272 0.6143020 10.55930       0.3989166 10.19812       0.5552503 10.94461       0.5734987 -1.147385      1.228604  
1 1 1 15  27 10 o 15.71885 0.6381456 2.470277       0.2003803 2.641369       0.2902601 2.314495       0.2769681 1.038435       1.276291  
1 1 1 15  27 11 o 65.43931 0.8334344 42.94128       1.090337  42.34015       1.516350  43.58482       1.568932  -0.9438629     1.666869  
1 1 1 15  27 12 o 22.47234 1.295881  4.510996       0.4602866 6.085560       1.116845  4.188833       0.5051851 4.086792       2.591762  
1 1 1 15  27 13 o 44.97399 1.289764  20.40406       1.158718  20.62924       1.605028  20.15896       1.674532  0.5385551      2.579527  
1 1 1 15  27 14 o 31.74059 0.6153855 10.01000       0.3889710 9.164421       0.5217676 11.06782       0.5835850 -2.991657      1.230771  
1 1 1 15  27 15 o 17.04420 0.6160563 2.905627       0.2097448 3.116337       0.3030177 2.711809       0.2906184 1.185352       1.232113  
1 1 1 15  27 16 f 40.28725 0.7582165 16.27386       0.6108416 16.01757       0.8550982 16.54093       0.8728976 -0.6471024     1.516433  
1 1 1 15  27 17 o 36.39977 0.7219417 13.15233       0.5227705 11.97250       0.6971444 14.66810       0.7901841 -3.690170      1.443883  
1 1 1 15  27 18 o 54.48489 0.9275388 29.82096       1.010536  29.50219       1.412392  30.15528       1.446445  -0.5931282     1.855078  
1 1 1 15  27 19 f 32.08979 0.6889614 10.21783       0.4398011 9.250063       0.5866811 11.45940       0.6645097 -3.431719      1.377923  
1 1 1 15  27 20 o 37.87679 0.7406299 14.39297       0.5610531 14.42302       0.7937161 14.36296       0.7931820 0.7920456E-01  1.481260  
1 1 1 15  27 21 o 25.28753 0.6565638 6.398252       0.3316222 6.868256       0.4806968 5.971419       0.4580887 1.769964       1.313128  
1 1 1 15  27 22 o 26.21837 0.6720432 6.825951       0.3505085 7.864789       0.5242010 5.985909       0.4713831 3.575321       1.344086  
1 1 1 15  27 23 o 20.97083 0.6626377 4.401190       0.2776093 4.691507       0.4023379 4.137375       0.3835344 1.318386       1.325275  
1 1 1 15  27 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  27 25 o 51.44539 0.9025264 26.59852       0.9281158 26.00914       1.287057  27.23703       1.339628  -1.181465      1.805053  
1 1 1 15  27 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  27 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  28 0  o 45.40072 0.6923314 20.39077       0.6238658 22.80711       0.9571969 18.60627       0.8225838 4.612740       1.384663  
1 1 1 15  28 1  o 43.17377 0.6747268 18.66745       0.5824167 18.95448       0.8367074 18.39764       0.8112077 0.6423531      1.349454  
1 1 1 15  28 2  o 51.33379 0.7256657 26.31610       0.7436263 28.02003       1.092911  24.84723       1.014729  3.081947       1.451331  
1 1 1 15  28 3  f 46.42740 0.6945257 21.56754       0.6443709 20.81591       0.8895429 22.39739       0.9346884 -1.698444      1.389051  
1 1 1 15  28 4  o 14.56078 2.237841  2.237328       0.6313899 2.120178       0.8519365 2.380086       0.9404511 -0.8323679     4.475682  
1 1 1 15  28 5  o 15.39366 0.7990168 2.243848       0.2324159 2.782274       0.4180053 2.002908       0.2796236 2.513736       1.598034  
1 1 1 15  28 6  o 50.72637 0.7193784 25.76120       0.7293627 26.82145       1.053886  24.78657       1.010435  2.000565       1.438757  
1 1 1 15  28 7  o 34.73347 0.6323081 11.98508       0.4373806 13.39545       0.6544449 10.84665       0.5879788 3.661907       1.264616  
1 1 1 15  28 8  o 34.30570 1.141696  11.97974       0.7003970 11.53934       1.318786  12.15275       0.8266086 -0.9890633     2.283391  
1 1 1 15  28 9  o 26.25685 1.614496  7.088727       0.8347014 8.036281       1.142113  6.002351       1.222916  3.895796       3.228992  
1 1 1 15  28 10 o 34.26392 0.6424653 11.75552       0.4397060 11.59849       0.6049761 11.93137       0.6401938 -0.4817696     1.284931  
1 1 1 15  28 11 o 61.73233 0.8463278 38.28738       1.042104  38.86311       1.428584  37.63259       1.523508  1.010864       1.692656  
1 1 1 15  28 12 o 16.89063 0.6528180 2.830511       0.2184160 3.445618       0.3255854 2.327186       0.2945195 3.307184       1.305636  
1 1 1 15  28 13 o 34.77735 0.6906277 12.12719       0.4800968 12.63913       0.6809818 11.62128       0.6769549 1.462875       1.381255  
1 1 1 15  28 14 f 57.50451 0.9643918 32.99771       1.103691  35.58579       1.664298  30.96606       1.474576  3.981525       1.928784  
1 1 1 15  28 15 o 19.03290 0.6456057 3.614372       0.2443562 3.105599       0.3344000 4.197308       0.3579440 -2.864948      1.291211  
1 1 1 15  28 16 o 37.66087 0.7357367 14.20200       0.5535992 14.77662       0.8055923 13.68784       0.7620372 1.439075       1.471473  
1 1 1 15  28 17 o 50.62072 0.8782363 25.74292       0.8891358 25.68231       1.255350  25.80394       1.259517  -0.1193657     1.756473  
1 1 1 15  28 18 o 17.45219 0.6528747 3.030151       0.2252375 2.436046       0.3051279 3.741488       0.3338782 -3.735891      1.305749  
1 1 1 15  28 19 f 36.87433 0.7317791 13.60119       0.5387728 12.93052       0.7363939 14.37373       0.7903430 -1.948219      1.463558  
1 1 1 15  28 20 o 38.80656 0.7570089 15.08926       0.5870253 15.74285       0.8519897 14.49857       0.8099623 1.596046       1.514018  
1 1 1 15  28 21 o 64.77821 1.065874  42.14116       1.377919  44.28389       2.031815  40.31649       1.874965  3.023293       2.131748  
1 1 1 15  28 22 o 30.68461 0.6913290 9.443246       0.4241423 9.302780       0.5913343 9.592082       0.6086981 -0.4684486     1.382658  
1 1 1 15  28 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  28 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  28 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  29 0  o 20.99919 0.6408522 4.431471       0.2681987 4.228990       0.3904595 4.612335       0.3690277 -0.9151535     1.281704  
1 1 1 15  29 1  o 34.42847 0.6435915 11.80589       0.4416359 10.59697       0.6004022 13.23111       0.6519068 -3.819721      1.287183  
1 1 1 15  29 2  o 43.82397 0.6868306 19.18487       0.6007177 18.28012       0.8176275 20.24609       0.8855140 -2.234814      1.373661  
1 1 1 15  29 3  o 9.822590 1.888727  0.6439744      0.2431499 1.624220       0.8462356 0.5557634      0.2538546 5.081710       3.777453  
1 1 1 15  29 4  f 55.61810 1.287906  31.15828       1.431195  33.17801       2.056782  29.26231       1.992767  3.505630       2.575812  
1 1 1 15  29 5  o 26.43957 1.372459  8.273465       0.4734078 8.768327       0.5141759 5.518855       1.213110  6.287764       2.744919  
1 1 1 15  29 6  o 45.82669 0.9820818 21.05182       0.9001112 21.05182       0.9001112 ?              ?         ?              ?         
1 1 1 15  29 7  o 37.27652 1.863399  14.01854       1.389221  14.01854       1.389221  ?              ?         ?              ?         
1 1 1 15  29 8  o 43.68832 0.7794645 18.99957       0.6758509 18.03246       0.8930674 20.29583       1.033924  -2.570080      1.558929  
1 1 1 15  29 9  o 19.45587 0.6729108 3.797261       0.2613019 3.494669       0.3674936 4.106677       0.3716143 -1.572285      1.345822  
1 1 1 15  29 10 o 68.64503 1.112637  47.43950       1.527436  47.01315       2.144906  47.87817       2.175665  -0.6233597     2.225274  
1 1 1 15  29 11 f 47.28645 0.8429820 22.44029       0.7970001 22.81763       1.144044  22.08446       1.110942  0.7696953      1.685964  
1 1 1 15  29 12 o 16.36342 0.6882719 2.685957       0.2223064 2.140385       0.3066126 3.290611       0.3227881 -3.512417      1.376544  
1 1 1 15  29 13 o 60.07194 0.9989211 36.13394       1.196266  38.30931       1.780901  34.34539       1.614818  3.264500       1.997842  
1 1 1 15  29 14 o 29.13113 0.6682943 8.478104       0.3886231 7.880061       0.5316663 9.164222       0.5694715 -2.198496      1.336589  
1 1 1 15  29 15 f 50.69353 0.8820894 25.69314       0.8913662 27.40481       1.328193  24.29047       1.202346  3.047050       1.764179  
1 1 1 15  29 16 o 49.60955 0.8697706 24.72715       0.8629745 24.63494       1.218319  24.82001       1.222552  -0.1857147     1.739541  
1 1 1 15  29 17 o 60.36248 1.005059  36.61035       1.211981  35.42529       1.666289  37.94158       1.766059  -2.061562      2.010118  
1 1 1 15  29 18 o 51.19516 0.8892961 26.33686       0.9103132 26.78370       1.305791  25.91437       1.269721  0.8414993      1.778592  
1 1 1 15  29 19 o 21.52140 0.6560842 4.601029       0.2797963 3.797955       0.3776352 5.578442       0.4166134 -4.130251      1.312168  
1 1 1 15  29 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  29 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  29 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  30 0  o 41.98961 0.7489166 17.46630       0.6168832 16.63513       0.7901440 18.76374       0.9872057 -2.507324      1.497833  
1 1 1 15  30 1  o 38.71988 0.7136635 14.98361       0.5474616 14.68571       0.7228801 15.38428       0.8383436 -0.8865967     1.427327  
1 1 1 15  30 2  o 34.71952 0.7172835 12.09092       0.4974778 12.15012       0.6878399 12.02598       0.7203664 0.1832275      1.434567  
1 1 1 15  30 3  o 39.94498 0.7859496 15.99015       0.6273492 16.47435       0.9106085 15.55272       0.8655192 1.146732       1.571899  
1 1 1 15  30 4  o 32.33755 0.7184579 10.48265       0.4644670 10.63864       0.6684542 10.33704       0.6458403 0.4631195      1.436916  
1 1 1 15  30 5  o 55.85516 0.9562730 31.27020       1.066151  32.72242       1.568817  30.02393       1.453327  2.393627       1.912546  
1 1 1 15  30 6  o 17.08048 0.7154250 2.922017       0.2439039 2.983944       0.3579968 2.868372       0.3332010 0.3347740      1.430850  
1 1 1 15  30 7  o 21.05294 0.6736189 4.418894       0.2826356 4.737520       0.4219024 4.159487       0.3806825 1.367182       1.347238  
1 1 1 15  30 8  o 39.19187 0.7630634 15.40186       0.5977543 15.72442       0.8636127 15.10521       0.8282033 0.7842865      1.526127  
1 1 1 15  30 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  30 10 o 42.47924 1.118853  0.000000       0.000000  ?              ?         18.11627       0.9505606 ?              ?         
1 1 1 15  30 11 f 47.36456 0.8478568 22.53163       0.8030389 22.70031       1.147642  22.36981       1.124062  0.3444824      1.695714  
1 1 1 15  30 12 o 24.27636 0.6584839 5.895658       0.3187942 5.295347       0.4403054 6.557083       0.4621754 -2.595509      1.316968  
1 1 1 15  30 13 o 17.80252 0.6828449 3.195869       0.2404349 2.628523       0.3374361 3.780976       0.3426770 -3.235968      1.365690  
1 1 1 15  30 14 o 37.54909 0.7419879 14.14652       0.5571392 13.86438       0.7804634 14.43969       0.7955816 -0.7634506     1.483976  
1 1 1 15  30 15 o 47.66706 0.8507462 22.82730       0.8108842 22.48892       1.132787  23.18292       1.161271  -0.7220764     1.701492  
1 1 1 15  30 16 o 70.10339 1.603226  0.000000       0.000000  ?              ?         49.59569       2.247832  ?              ?         
1 1 1 15  30 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  30 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  30 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  31 0  o 60.37071 1.020028  36.66945       1.231215  36.92667       1.765903  36.42614       1.717509  0.4039688      2.040057  
1 1 1 15  31 1  o 27.16047 0.7079642 7.419271       0.3829572 6.630076       0.5410678 8.211483       0.5421001 -2.911070      1.415928  
1 1 1 15  31 2  o 28.97971 0.7229710 8.428265       0.4188233 8.115975       0.5918574 8.741504       0.5927547 -1.079109      1.445942  
1 1 1 15  31 3  o 8.623818 1.195596  0.8293920      0.1985302 0.4147695      0.2949936 1.172661       0.2684131 -4.357591      2.391192  
1 1 1 15  31 4  o 31.33423 0.7154183 9.840339       0.4480219 9.336457       0.6238019 10.37716       0.6438721 -1.657459      1.430837  
1 1 1 15  31 5  o 24.84183 0.6959818 6.184249       0.3453946 5.780423       0.4812648 6.613167       0.4959914 -1.673832      1.391964  
1 1 1 15  31 6  o 16.05857 0.7442110 2.548309       0.2369274 3.067592       0.3592345 2.148531       0.3151994 2.854368       1.488422  
1 1 1 15  31 7  o 37.40933 0.7537720 14.03624       0.5636610 14.29654       0.8131642 13.79550       0.7820219 0.6644249      1.507544  
1 1 1 15  31 8  o 66.60338 1.091612  44.61949       1.452083  46.18886       2.122209  43.23795       1.991160  2.182663       2.183224  
1 1 1 15  31 9  o 53.74851 0.9281561 29.04329       0.9974474 29.43268       1.431437  28.67578       1.390655  0.6952972      1.856312  
1 1 1 15  31 10 o 40.07372 0.7748559 16.06991       0.6196629 16.92966       0.9140987 15.33888       0.8428968 1.971584       1.549712  
1 1 1 15  31 11 o 65.43280 1.331573  43.00128       1.622707  42.40320       1.959271  44.30761       2.895604  -1.149696      2.663146  
1 1 1 15  31 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  31 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  31 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  31 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  32 0  o 45.17866 0.8439125 20.44133       0.7604526 21.34286       1.126264  19.68597       1.030933  1.815140       1.687825  
1 1 1 15  32 1  o 32.07709 0.7277957 10.33928       0.4662161 9.984721       0.6702935 10.67155       0.6488859 -1.074211      1.455591  
1 1 1 15  32 2  o 66.28317 1.098014  44.14277       1.452101  46.31883       2.145629  42.30381       1.972445  2.983788       2.196028  
1 1 1 15  32 3  o 25.73988 0.7125266 6.624107       0.3661039 7.060214       0.5382860 6.248737       0.4993966 1.569639       1.425053  
1 1 1 15  32 4  o 52.45107 0.9244264 27.66364       0.9694245 28.07969       1.392540  27.27239       1.350378  0.7599945      1.848853  
1 1 1 15  32 5  o 51.82393 0.9126263 26.98632       0.9451739 27.73293       1.370065  26.30830       1.305618  1.359741       1.825253  
1 1 1 15  32 6  o 54.97414 0.9480084 30.41133       1.042182  30.65646       1.488192  30.17542       1.459949  0.4307518      1.896017  
1 1 1 15  32 7  o 60.39807 1.257050  36.02138       1.389307  39.03561       2.589485  34.80302       1.646316  3.212917       2.514100  
1 1 1 15  32 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  32 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  32 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  32 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  33 0  o 31.62631 0.7367631 10.04806       0.4653465 9.866791       0.6729448 10.21417       0.6441950 -0.5543690     1.473526  
1 1 1 15  33 1  o 62.52088 1.049426  39.24705       1.308419  41.16854       1.941209  37.64734       1.771221  2.772148       2.098853  
1 1 1 15  33 2  o 36.05074 1.041895  0.000000       0.000000  ?              ?         13.04619       0.7512217 ?              ?         
1 1 1 15  33 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 15  33 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  0  0  o 170.2256 2.540869  290.3388       8.641748  291.1953       12.25458  289.4915       12.18825  -0.000000      0.000000  
1 1 1 16  0  1  o 177.4629 2.647267  315.5627       9.386083  317.6177       13.35235  313.5552       13.19686  -0.000000      0.000000  
1 1 1 16  0  2  o 76.29170 1.229595  58.28313       1.873529  59.23687       2.686172  57.37966       2.614425  -0.000000      0.000000  
1 1 1 16  0  3  o 148.1328 2.227658  219.8145       6.592217  222.1097       9.418160  217.6099       9.230284  -0.000000      0.000000  
1 1 1 16  0  4  o 22.03292 1.015860  4.736171       0.4104107 4.465685       0.4882267 5.387692       0.7577282 -0.000000      0.000000  
1 1 1 16  0  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  0  6  o 315.2015 4.650651  997.0209       29.28550  1006.089       41.82645  988.2997       41.01730  -0.000000      0.000000  
1 1 1 16  0  7  o 50.98179 0.9329541 26.04073       0.9497607 26.44685       1.355016  25.64852       1.331618  -0.000000      0.000000  
1 1 1 16  0  8  o 206.4364 3.064734  427.1876       12.64076  428.6369       17.94615  425.7606       17.80812  -0.000000      0.000000  
1 1 1 16  0  9  o 432.5405 6.381512  1882.628       55.14529  1898.486       78.70760  1867.337       77.28627  -0.000000      0.000000  
1 1 1 16  0  10 o 181.3384 2.706491  329.5806       9.805869  328.7028       13.81530  330.4718       13.92048  -0.000000      0.000000  
1 1 1 16  0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  0  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  0  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  0  14 o 131.3241 1.992201  172.7994       5.226935  171.8730       7.354801  173.7448       7.429772  -0.000000      0.000000  
1 1 1 16  0  15 o 94.70167 1.486420  89.84929       2.812223  89.44859       3.968340  90.25356       3.985884  -0.000000      0.000000  
1 1 1 16  0  16 o 162.5671 2.438368  264.9373       7.919903  265.6376       11.23711  264.2462       11.16412  -0.000000      0.000000  
1 1 1 16  0  17 o 43.77942 0.9027997 19.21849       0.7889940 19.16024       1.113865  19.27714       1.117757  -0.000000      0.000000  
1 1 1 16  0  18 o 38.48748 0.8644544 14.49142       0.6548203 17.22174       1.035666  12.67298       0.8452041 -0.000000      0.000000  
1 1 1 16  0  19 o 49.91259 0.9471024 24.97203       0.9438332 24.47074       1.330803  25.47936       1.338796  -0.000000      0.000000  
1 1 1 16  0  20 o 46.62074 0.9171589 21.75893       0.8524925 22.36310       1.245541  21.22648       1.169282  -0.000000      0.000000  
1 1 1 16  0  21 o 114.6583 1.761941  131.7682       4.035623  130.2646       5.650513  133.3336       5.765694  -0.000000      0.000000  
1 1 1 16  0  22 f 90.83381 1.439083  82.69967       2.611253  82.94317       3.716823  82.46233       3.669374  -0.000000      0.000000  
1 1 1 16  0  23 o 55.26521 1.003242  30.55864       1.105459  31.59174       1.619684  29.65773       1.512523  -0.000000      0.000000  
1 1 1 16  0  24 o 143.9436 2.177419  207.8709       6.259799  204.4705       8.710383  211.5029       9.002213  -0.000000      0.000000  
1 1 1 16  0  25 o 91.54765 1.450530  83.88341       2.649435  81.10852       3.635706  87.02566       3.868891  -0.000000      0.000000  
1 1 1 16  0  26 o 37.49995 0.8612939 13.82166       0.6367698 16.06803       0.9993008 12.28598       0.8262380 -0.000000      0.000000  
1 1 1 16  0  27 o 101.8494 1.592378  104.0611       3.239885  104.4895       4.614099  103.6444       4.550346  -0.000000      0.000000  
1 1 1 16  0  28 o 19.26588 1.009366  3.812548       0.3804430 3.402210       0.5578731 4.169282       0.5201598 -0.000000      0.000000  
1 1 1 16  0  29 o 16.17801 1.093708  2.663333       0.3448421 2.890291       0.5314327 2.498268       0.4532143 -0.000000      0.000000  
1 1 1 16  0  30 o 50.70285 0.9739504 25.62865       0.9811531 27.31757       1.478609  24.29993       1.311494  -0.000000      0.000000  
1 1 1 16  0  31 o 5.042970 1.908247  0.3359890      0.2918025 0.2455069E-01  0.4585851 0.5478808      0.3782604 -0.000000      0.000000  
1 1 1 16  0  32 o 36.35988 0.8870588 13.27984       0.6419346 13.25969       0.9393996 13.29749       0.8792480 -0.000000      0.000000  
1 1 1 16  0  33 o 33.15369 0.8833505 11.00853       0.5806566 11.41257       0.8748446 10.69038       0.7763038 -0.000000      0.000000  
1 1 1 16  0  34 f 3.573951 1.687289  -0.2884058     0.3083396 0.2071214      0.5038500 -0.5850928     0.3898674 -0.000000      0.000000  
1 1 1 16  0  35 o 23.66691 1.475616  6.462719       0.5980906 8.033310       0.7524549 3.767828       0.9856423 -0.000000      0.000000  
1 1 1 16  0  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  0  37 o 77.92220 1.607459  60.47126       2.314923  62.90749       4.186011  59.39796       2.778446  -0.000000      0.000000  
1 1 1 16  0  38 o 52.22907 1.022943  27.39871       1.065843  27.28577       1.537291  27.50325       1.479056  -0.000000      0.000000  
1 1 1 16  0  39 o 57.30978 1.085148  32.97431       1.241275  31.63769       1.736987  34.36923       1.774468  -0.000000      0.000000  
1 1 1 16  0  40 f 67.30251 1.192191  45.34023       1.599266  42.73329       2.179287  48.38253       2.354239  -0.000000      0.000000  
1 1 1 16  0  41 o 27.07043 1.016442  7.340175       0.5431309 7.941514       0.8298934 6.889642       0.7183341 -0.000000      0.000000  
1 1 1 16  0  42 o 64.01794 1.162524  41.19606       1.485034  41.30305       2.145577  41.09767       2.057500  -0.000000      0.000000  
1 1 1 16  0  43 o 44.44376 1.011879  19.85059       0.8953272 18.08722       1.247308  21.72489       1.285944  -0.000000      0.000000  
1 1 1 16  0  44 o 6.091085 2.242405  0.4100640      0.3713726 0.9278698      0.6125585 0.1091307      0.4669810 -0.000000      0.000000  
1 1 1 16  0  45 o 11.22901 2.103645  1.697060       0.4330137 0.8714970      0.6563397 2.333336       0.5762041 -0.000000      0.000000  
1 1 1 16  0  46 o 3.872469 1.864894  -0.2595704     0.3973284 -0.8942456E-01 0.6540823 -0.3590722     0.5001927 -0.000000      0.000000  
1 1 1 16  0  47 o 12.90305 2.172293  2.113371       0.4687017 1.400465       0.7312291 2.610528       0.6106390 -0.000000      0.000000  
1 1 1 16  0  48 o 57.79398 1.147877  33.59909       1.320666  34.11449       1.949454  33.16191       1.795445  -0.000000      0.000000  
1 1 1 16  0  49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  1  0  o 71.93076 0.8277912 51.68152       1.189747  50.31257       1.639914  53.20272       1.728707  -2.008446      1.655582  
1 1 1 16  1  1  o 284.7998 2.966736  812.5305       16.89673  806.3380       23.69119  818.9415       24.10538  -2.203430      5.933472  
1 1 1 16  1  2  o 98.11482 1.079288  95.99807       2.112870  100.3610       3.120233  92.30341       2.871357  4.104080       2.158577  
1 1 1 16  1  3  o 81.65868 0.9180230 66.62122       1.497987  65.04661       2.067198  68.36238       2.173764  -2.029480      1.836046  
1 1 1 16  1  4  o 27.67559 0.5427861 7.613745       0.2993955 6.825676       0.4070902 8.542193       0.4418626 -3.100988      1.085572  
1 1 1 16  1  5  o 398.3072 4.143124  1592.423       33.00227  1603.148       47.01540  1582.006       46.33652  2.631744       8.286247  
1 1 1 16  1  6  o 104.9200 1.141526  109.6652       2.387722  104.8514       3.225048  115.5049       3.552090  -5.074066      2.283052  
1 1 1 16  1  7  o 206.3234 2.161072  426.1169       8.917186  423.6602       12.53852  428.6311       12.68436  -1.202133      4.322144  
1 1 1 16  1  8  o 231.4486 2.991768  528.4370       12.74593  558.2263       23.39937  515.8692       15.19865  8.946121       5.983537  
1 1 1 16  1  9  o 248.6140 3.676744  619.3301       18.25999  636.9502       26.61192  603.6536       25.10128  6.647049       7.353489  
1 1 1 16  1  10 o 118.1200 1.805683  139.4494       4.260981  135.8179       5.861751  143.5183       6.204740  -3.253876      3.611366  
1 1 1 16  1  11 o 88.11822 1.215014  77.14053       2.006150  76.16041       2.434651  79.21346       3.540736  -1.719635      2.430027  
1 1 1 16  1  12 o 153.5761 1.626590  235.9961       4.995384  233.7736       6.993505  238.3113       7.137784  -1.474960      3.253181  
1 1 1 16  1  13 o 154.1894 1.987948  240.0953       5.871063  245.4541       7.360124  230.7198       9.735229  4.828339       3.975896  
1 1 1 16  1  14 o 185.0129 2.754975  343.0779       10.19253  340.1363       14.26613  346.1450       14.56742  -1.614441      5.509949  
1 1 1 16  1  15 o 104.3043 1.614223  108.6354       3.360436  112.6961       4.945882  105.1535       4.579934  3.608414       3.228445  
1 1 1 16  1  16 o 102.2007 1.362983  105.3370       2.662269  101.7311       4.442256  107.3579       3.325673  -2.773628      2.725966  
1 1 1 16  1  17 o 79.78094 0.9110821 63.58459       1.452293  65.58477       2.111865  61.79004       2.000373  2.376633       1.822164  
1 1 1 16  1  18 o 174.7184 1.843049  305.6759       6.438911  302.2289       8.995137  309.2983       9.221055  -2.016159      3.686099  
1 1 1 16  1  19 o 163.8256 1.734527  268.6655       5.680250  263.9797       7.882398  273.7275       8.192762  -2.964600      3.469054  
1 1 1 16  1  20 f 104.1722 1.141795  108.5097       2.377082  111.0243       3.442630  106.2184       3.286225  2.302711       2.283590  
1 1 1 16  1  21 o 115.3122 1.251155  133.1166       2.885467  133.0435       4.080733  133.1897       4.080600  -0.6338501E-01 2.502309  
1 1 1 16  1  22 o 153.1108 1.627530  234.9338       4.983615  233.6215       7.007258  236.2770       7.089250  -0.8632202     3.255060  
1 1 1 16  1  23 o 91.58071 1.021659  83.95235       1.871285  83.92224       2.645733  83.98250       2.647063  -0.3285217E-01 2.043319  
1 1 1 16  1  24 o 28.45051 0.5996022 7.927993       0.3371975 9.822948       0.5183817 6.538083       0.4439599 5.771362       1.199204  
1 1 1 16  1  25 o 89.15030 1.001944  79.57368       1.786471  79.61704       2.528458  79.53046       2.524449  0.4839325E-01  2.003888  
1 1 1 16  1  26 o 51.05889 0.6792132 26.00113       0.6922610 24.76445       0.9438220 27.44107       1.018440  -2.618801      1.358426  
1 1 1 16  1  27 o 77.26443 0.8947710 59.71591       1.381840  61.09029       1.996774  58.45276       1.914269  1.703201       1.789542  
1 1 1 16  1  28 o 74.16019 0.8680610 54.75894       1.282509  51.84103       1.723901  58.37571       1.919273  -4.396751      1.736122  
1 1 1 16  1  29 o 78.64973 0.9101931 61.77810       1.429029  64.47107       2.100708  59.45852       1.949640  3.178886       1.820386  
1 1 1 16  1  30 o 85.61361 0.9738119 73.37265       1.666571  71.91618       2.312339  74.94703       2.404115  -1.764313      1.947624  
1 1 1 16  1  31 o 7.984994 1.281294  0.6318643      0.2181735 0.2529259      0.2964106 1.079891       0.3223006 -4.788758      2.562587  
1 1 1 16  1  32 o 70.54563 0.8444254 49.81638       1.190918  50.72215       1.714202  48.97133       1.655745  1.237167       1.688851  
1 1 1 16  1  33 o 59.17799 0.7542338 35.02360       0.8919656 36.14816       1.293487  34.00400       1.231644  1.807686       1.508468  
1 1 1 16  1  34 f 52.37883 0.9363736 27.73363       0.9681111 25.85701       1.464049  29.19181       1.290539  -3.198532      1.872747  
1 1 1 16  1  35 o 42.11922 0.8367866 17.75590       0.6935669 17.66006       0.9023643 17.89426       1.084178  -0.2622032     1.673573  
1 1 1 16  1  36 o 108.1991 1.198792  117.5960       2.594162  117.6942       3.672031  117.4982       3.665375  0.8965302E-01  2.397583  
1 1 1 16  1  37 o 29.02660 0.8693581 8.246050       0.4889312 7.690015       0.6105269 9.240314       0.8164020 -2.648867      1.738716  
1 1 1 16  1  38 o 68.37335 1.075785  46.82747       1.439983  47.55045       2.291338  46.35555       1.851227  0.8116684      2.151569  
1 1 1 16  1  39 o 25.92572 0.7034959 6.732867       0.3647334 6.623454       0.5114435 6.846098       0.5202922 -0.4285355     1.406992  
1 1 1 16  1  40 f 33.87946 0.7636833 11.60642       0.5067981 10.97690       0.7898989 12.04688       0.6607190 -1.593372      1.527367  
1 1 1 16  1  41 o 56.98947 0.7686062 32.56208       0.8760448 32.46696       1.236564  32.65792       1.241278  -0.1669769     1.537212  
1 1 1 16  1  42 o 28.47059 0.7078202 8.103272       0.4019739 8.982393       0.5840534 7.312057       0.5540837 2.929737       1.415640  
1 1 1 16  1  43 f 46.42064 0.7109611 21.58049       0.6596296 20.99574       0.9127850 22.21968       0.9543146 -1.313080      1.421922  
1 1 1 16  1  44 o 20.94276 0.8133352 4.404150       0.3404732 4.297735       0.4857732 4.506903       0.4773411 -0.5006943     1.626670  
1 1 1 16  1  45 o 20.27884 0.8505934 4.108178       0.3437919 3.667323       0.4693354 4.618604       0.5050129 -2.339380      1.701187  
1 1 1 16  1  46 o 20.57061 0.8552549 4.250729       0.3518508 4.288782       0.4999980 4.213399       0.4952207 0.1823196      1.710510  
1 1 1 16  1  47 o 38.75032 0.7308910 15.03373       0.5657886 15.98920       0.8220280 14.17363       0.7799230 2.335621       1.461782  
1 1 1 16  1  48 o 8.656599 2.115265  0.5498726      0.4595844 1.194264       0.7492363 0.1611479      0.5819223 4.031900       4.230531  
1 1 1 16  1  49 o 38.94518 1.150504  15.19539       0.8922758 17.28455       1.322482  13.44971       1.208892  4.891171       2.301008  
1 1 1 16  2  0  o 76.85112 0.8713248 58.76391       1.334128  55.77384       1.794222  62.46146       1.995230  -4.349731      1.742650  
1 1 1 16  2  1  o 330.1561 3.435203  1092.394       22.67521  1108.534       32.58380  1077.239       31.57517  4.712799       6.870407  
1 1 1 16  2  2  o 46.81965 0.6306416 21.16853       0.5791451 26.01546       0.9377711 18.18013       0.7363471 8.366554       1.261283  
1 1 1 16  2  3  o 150.2295 1.591410  225.7402       4.780163  228.9684       6.859628  222.6927       6.664920  2.086182       3.182821  
1 1 1 16  2  4  o 188.7771 1.982260  356.5199       7.481247  362.3500       10.76006  351.0642       10.40884  2.983612       3.964519  
1 1 1 16  2  5  o 218.1215 2.776066  481.0097       11.60964  460.6692       19.18871  492.7548       14.58118  -7.453644      5.552133  
1 1 1 16  2  6  o 216.4350 3.208062  469.4297       13.88479  465.2737       19.44253  473.7555       19.83548  -1.949600      6.416125  
1 1 1 16  2  7  o 124.2022 1.891325  153.2077       4.669821  144.3251       6.207251  164.7912       7.088363  -8.225540      3.782651  
1 1 1 16  2  8  o 357.3003 4.562306  1283.326       30.73638  1283.792       37.65664  1282.396       53.20193  0.7961731      9.124612  
1 1 1 16  2  9  o 76.78618 0.8798119 58.36607       1.340368  63.64119       2.058334  54.48220       1.766166  5.961647       1.759624  
1 1 1 16  2  10 o 141.5182 1.505086  200.1252       4.255280  195.0123       5.855685  205.8465       6.194335  -3.823135      3.010171  
1 1 1 16  2  11 o 257.5493 3.811039  665.5709       19.62003  654.4793       27.22010  677.5648       28.30556  -4.441437      7.622079  
1 1 1 16  2  12 o 185.5285 1.952018  344.2870       7.237665  352.1172       10.48165  337.1511       10.00611  4.023727       3.904037  
1 1 1 16  2  13 o 156.8200 1.660373  246.1213       5.207367  247.5076       7.406064  244.7658       7.323293  0.8726959      3.320746  
1 1 1 16  2  14 f 114.0339 1.235622  128.8602       2.796379  139.8039       4.286104  120.7494       3.689886  8.346230       2.471244  
1 1 1 16  2  15 o 107.0131 1.423295  114.8719       2.884845  115.4527       3.554115  113.7503       4.939077  0.8196945      2.846591  
1 1 1 16  2  16 o 83.03867 1.320572  68.76254       2.187746  72.30379       3.235151  65.77851       2.969740  3.924072       2.641143  
1 1 1 16  2  17 o 161.7949 2.420680  262.4351       7.832480  264.4221       11.15978  260.5062       10.99564  1.203873       4.841360  
1 1 1 16  2  18 o 57.35287 0.8672803 33.49663       0.9699879 29.87430       1.502937  36.08260       1.269868  -5.415741      1.734561  
1 1 1 16  2  19 o 207.8712 2.183509  432.9208       9.071486  442.1905       13.12433  424.4409       12.55279  4.244400       4.367018  
1 1 1 16  2  20 o 57.43284 0.7296833 32.94085       0.8372990 31.80084       1.152653  34.21444       1.218312  -2.100140      1.459367  
1 1 1 16  2  21 f 252.0764 2.641366  638.5708       13.31518  643.5016       18.99146  633.8036       18.67358  1.902084       5.282731  
1 1 1 16  2  22 o 66.67460 0.7994938 44.46876       1.065916  44.99280       1.525421  43.96872       1.490068  0.7671204      1.598988  
1 1 1 16  2  23 o 137.7296 1.473387  189.9857       4.056882  186.8852       5.640055  193.3097       5.839752  -2.322449      2.946774  
1 1 1 16  2  24 o 24.58537 0.6056165 6.047073       0.2977667 6.108796       0.4203213 5.984886       0.4218944 0.2520351      1.211233  
1 1 1 16  2  25 o 54.68822 0.7040815 29.67944       0.7662271 27.56326       1.022788  32.38628       1.156753  -4.405479      1.408163  
1 1 1 16  2  26 o 73.10351 0.8574609 53.45636       1.253066  54.60143       1.806423  52.39434       1.739668  1.506943       1.714922  
1 1 1 16  2  27 f 88.77705 1.000802  78.89123       1.776406  77.66724       2.474910  80.19189       2.551265  -1.418106      2.001604  
1 1 1 16  2  28 o 77.73389 0.8992316 60.35682       1.395646  62.86604       2.047415  58.17886       1.907488  3.008133       1.798463  
1 1 1 16  2  29 o 24.09482 0.6298594 5.809811       0.3034612 5.961030       0.4298384 5.659545       0.4284827 0.6255741      1.259719  
1 1 1 16  2  30 o 59.61807 0.7510487 35.34146       0.8917927 38.18332       1.337958  33.06961       1.196273  4.281712       1.502097  
1 1 1 16  2  31 o 62.71091 0.7780466 39.37374       0.9758399 39.41661       1.380558  39.33093       1.379535  0.6826401E-01  1.556093  
1 1 1 16  2  32 o 52.60396 0.8785530 27.79995       0.8665243 27.48281       1.512981  27.95476       1.057064  -0.4789581     1.757106  
1 1 1 16  2  33 f 58.71989 1.076880  34.58245       1.264449  34.15551       1.798268  34.99996       1.778300  -0.7208786     2.153760  
1 1 1 16  2  34 o 8.609562 1.453367  0.7917138      0.2475545 0.9163994      0.3287813 0.6284902      0.3761753 1.572233       2.906734  
1 1 1 16  2  35 o 52.56594 0.7138027 27.63856       0.7498768 26.78840       1.036322  28.57291       1.086424  -1.693661      1.427605  
1 1 1 16  2  36 o 30.76046 0.6419879 9.350537       0.3923266 8.174109       0.5225421 10.87052       0.5939613 -4.377806      1.283976  
1 1 1 16  2  37 o 45.14110 0.6783607 20.33626       0.6111764 19.29094       0.8322911 21.55963       0.9003877 -2.507256      1.356721  
1 1 1 16  2  38 o 44.50217 0.9468954 19.70133       0.8360670 18.61488       1.102979  21.16868       1.281829  -2.846825      1.893791  
1 1 1 16  2  39 o 19.82421 1.081994  3.947117       0.4237824 3.942873       0.5574954 3.952927       0.6522311 -0.1129913E-01 2.163987  
1 1 1 16  2  40 o 7.715236 1.565515  0.6151408      0.2555383 0.5316790      0.3645479 0.6957684      0.3583044 -0.8833179     3.131029  
1 1 1 16  2  41 o 50.29511 1.042580  25.42986       1.047539  25.16205       1.513547  25.67609       1.451302  -0.5212326     2.085160  
1 1 1 16  2  42 o 28.52552 0.7088765 8.162459       0.4040458 8.296488       0.5622560 8.019337       0.5810199 0.4881248      1.417753  
1 1 1 16  2  43 o 22.27774 0.7937487 4.987908       0.3508859 5.810926       0.5034441 4.210445       0.4893127 3.590128       1.587497  
1 1 1 16  2  44 f 22.31553 0.7956277 4.983012       0.3543401 4.549901       0.4882235 5.465081       0.5150794 -2.046423      1.591255  
1 1 1 16  2  45 o 41.87349 0.7123794 17.57374       0.5964018 17.09387       0.8310372 18.08337       0.8564141 -1.177860      1.424759  
1 1 1 16  2  46 o 16.96611 0.9824708 2.899823       0.3321542 3.212701       0.4730020 2.595438       0.4665388 1.817701       1.964942  
1 1 1 16  2  47 o 8.003374 2.080302  0.5208277      0.4515118 0.1518587      0.7185047 0.7616165      0.5804340 -1.518079      4.160604  
1 1 1 16  2  48 o 48.84048 0.7609501 23.84302       0.7415953 25.79586       1.093098  22.17767       1.009439  3.688019       1.521900  
1 1 1 16  2  49 o 22.87044 2.004778  5.427520       0.7865582 5.276855       1.575387  5.477550       0.9078035 -0.7571144     4.009555  
1 1 1 16  3  0  o 193.6048 2.031678  375.0741       7.865201  379.3551       11.26167  370.9976       10.98947  2.154144       4.063356  
1 1 1 16  3  1  o 90.24451 1.000156  79.99815       1.780841  73.14896       2.301562  90.21620       2.811172  -9.452065      2.000312  
1 1 1 16  3  2  o 252.5340 3.244298  635.1846       15.28425  650.5722       27.18058  628.0689       18.48339  4.231110       6.488595  
1 1 1 16  3  3  o 173.0898 2.582383  300.0541       8.939659  300.3850       12.66024  299.7250       12.62501  0.1899414      5.164767  
1 1 1 16  3  4  o 85.77528 1.363303  73.51862       2.336706  71.66739       3.223957  75.56742       3.391615  -2.271599      2.726607  
1 1 1 16  3  5  o 240.0288 3.246674  575.6154       15.19250  569.2748       19.37601  585.7350       24.47838  -3.300705      6.493348  
1 1 1 16  3  6  o 100.6726 1.102134  100.2994       2.200390  93.62246       2.894503  109.4409       3.386812  -7.852074      2.204268  
1 1 1 16  3  7  o 184.7360 1.940705  341.5775       7.170359  341.6622       10.14267  341.4926       10.13817  0.4583740E-01  3.881410  
1 1 1 16  3  8  f 118.8461 1.282441  141.1953       3.046407  138.4279       4.220651  144.2050       4.401582  -2.428444      2.564882  
1 1 1 16  3  9  o 473.9338 4.935855  2259.819       46.77827  2238.968       65.47733  2281.556       66.85306  -4.431213      9.871711  
1 1 1 16  3  10 o 87.03926 0.9748390 74.83936       1.681234  69.33489       2.203590  82.50649       2.600697  -7.562813      1.949678  
1 1 1 16  3  11 o 118.8146 1.283398  141.2011       3.049235  143.0425       4.360456  139.4389       4.265645  1.515259       2.566797  
1 1 1 16  3  12 o 185.1127 1.946926  342.9781       7.206556  346.7694       10.31620  339.3646       10.07143  1.995026       3.893851  
1 1 1 16  3  13 o 80.31189 1.300884  64.30844       2.084117  61.57783       2.826823  67.56025       3.084822  -3.720757      2.601768  
1 1 1 16  3  14 o 75.21348 0.8699556 56.58456       1.308642  56.72402       1.853914  56.44607       1.847502  0.1847076      1.739911  
1 1 1 16  3  15 o 152.9090 1.621745  233.1682       4.944156  223.7143       6.683610  244.5940       7.347652  -6.813492      3.243490  
1 1 1 16  3  16 o 120.4452 1.299522  145.1233       3.129575  143.1488       4.365062  147.2118       4.489329  -1.684265      2.599044  
1 1 1 16  3  17 o 94.13936 1.044722  88.66126       1.966907  88.16342       2.766352  89.17026       2.797156  -0.5342407     2.089444  
1 1 1 16  3  18 f 46.21183 0.8255596 20.82329       0.7379681 19.38468       0.9189007 23.43673       1.238522  -4.379559      1.651119  
1 1 1 16  3  19 o 98.12613 1.522476  96.19422       2.982108  93.02027       4.068295  99.87999       4.384062  -3.485298      3.044952  
1 1 1 16  3  20 o 102.0799 1.381248  102.1890       2.592304  109.7594       4.787617  99.04894       3.083410  5.191948       2.762496  
1 1 1 16  3  21 o 45.35966 0.6432999 20.58142       0.5835911 20.57782       0.8233879 20.58505       0.8272706 -0.7900238E-02 1.286600  
1 1 1 16  3  22 o 95.29335 1.057312  90.80224       2.013433  88.67664       2.780140  93.14684       2.919844  -2.340874      2.114625  
1 1 1 16  3  23 o 80.91557 0.9243587 65.51859       1.495763  66.10683       2.132900  64.94935       2.098185  0.7141571      1.848717  
1 1 1 16  3  24 o 30.46654 0.5929003 9.256396       0.3606204 10.05000       0.5257779 8.551416       0.4955516 2.458714       1.185801  
1 1 1 16  3  25 o 28.60847 0.6075191 8.183520       0.3474807 8.489428       0.4976336 7.892447       0.4854179 1.043036       1.215038  
1 1 1 16  3  26 o 82.22008 0.9383563 67.65200       1.542574  66.60452       2.149880  68.76349       2.214617  -1.310097      1.876713  
1 1 1 16  3  27 o 73.12185 0.8641595 53.51770       1.263681  52.91563       1.773681  54.13836       1.800857  -0.8348999     1.728319  
1 1 1 16  3  28 o 50.46585 0.6825473 25.48615       0.6889040 25.58046       0.9748810 25.39209       0.9736353 0.1865921      1.365095  
1 1 1 16  3  29 o 106.3738 1.170306  113.2218       2.486602  109.9322       3.413827  116.9396       3.629220  -3.279076      2.340613  
1 1 1 16  3  30 o 32.81050 0.6178900 10.76954       0.4053963 11.01872       0.5792994 10.53040       0.5675163 0.7436676      1.235780  
1 1 1 16  3  31 o 32.20283 0.9329113 10.19248       0.5897745 7.760960       0.7821616 13.39684       0.8978993 -8.743113      1.865823  
1 1 1 16  3  32 o 123.0154 1.642024  152.1535       3.803772  151.9783       4.652722  152.5068       6.605190  0.3553009E-01  3.284048  
1 1 1 16  3  33 o 87.61006 0.9978817 76.86289       1.747166  78.89359       2.531276  75.01511       2.414584  2.203423       1.995763  
1 1 1 16  3  34 o 43.55022 0.6641209 18.98614       0.5783905 18.77199       0.8107550 19.20809       0.8253764 -0.4997368     1.328242  
1 1 1 16  3  35 o 10.91076 1.237819  1.302370       0.2453538 1.873381       0.3415192 0.6933007      0.3527169 5.521089       2.475639  
1 1 1 16  3  36 o 37.92015 0.6503087 14.37060       0.4927078 15.18567       0.7148566 13.63300       0.6800348 2.044731       1.300617  
1 1 1 16  3  37 o 68.42999 1.175326  47.05537       1.608338  47.21420       2.258460  46.89193       2.290956  0.2402039      2.350651  
1 1 1 16  3  38 o 48.50043 0.7051312 23.54160       0.6835912 24.35983       0.9871793 22.78778       0.9475271 1.616909       1.410262  
1 1 1 16  3  39 o 30.11244 0.6764038 9.082679       0.4073127 9.010732       0.5707042 9.157373       0.5815018 -0.2424736     1.352808  
1 1 1 16  3  40 o 78.32686 1.304738  61.15586       2.026544  57.28136       2.666003  66.45867       3.118934  -5.771751      2.609476  
1 1 1 16  3  41 o 37.13440 0.7952873 13.75990       0.5695681 14.08991       0.9446137 13.57138       0.7139517 0.6688652      1.590575  
1 1 1 16  3  42 o 15.08997 1.015793  2.273656       0.3049734 1.972874       0.4146818 2.627989       0.4500854 -2.164388      2.031586  
1 1 1 16  3  43 o 4.569769 1.427930  -0.2154787     0.2696204 -0.4999072     0.3756016 0.8689282E-01  0.3872678 -1.626063      2.855859  
1 1 1 16  3  44 o 40.76709 0.7101506 16.62866       0.5783677 15.77368       0.7964166 17.58272       0.8412983 -2.212524      1.420301  
1 1 1 16  3  45 f 37.62531 0.8096633 14.45699       0.5985455 12.34223       0.8890778 16.20992       0.8094559 -5.152943      1.619327  
1 1 1 16  3  46 o 47.35364 0.9469064 22.54752       0.8809537 22.54025       1.143622  22.55813       1.381543  0.3063583E-01  1.893813  
1 1 1 16  3  47 o 10.41722 1.512604  1.139106       0.3102826 0.7682061      0.4357140 1.520724       0.4419646 -3.698554      3.025208  
1 1 1 16  3  48 o 21.68050 0.8634225 4.703668       0.3724822 4.077067       0.5097979 5.421257       0.5455571 -3.092249      1.726845  
1 1 1 16  3  49 o 16.27108 4.009573  0.000000       0.000000  ?              ?         2.903925       1.298090  ?              ?         
1 1 1 16  4  0  o 298.7984 4.413176  894.9642       26.32783  868.2628       35.99674  925.6774       38.60644  -9.515472      8.826351  
1 1 1 16  4  1  o 235.6561 3.488211  556.6715       16.43512  564.7972       23.60254  549.0231       22.89896  3.327011       6.976422  
1 1 1 16  4  2  o 108.1341 1.468600  112.9936       2.855973  108.2107       3.336380  126.1076       5.524557  -8.249878      2.937200  
1 1 1 16  4  3  o 169.6440 1.786665  287.9428       6.061018  290.8773       8.662790  285.1288       8.483178  1.691757       3.573330  
1 1 1 16  4  4  o 83.75862 0.9437893 69.76554       1.575193  74.80151       2.354324  65.68423       2.119459  5.440865       1.887579  
1 1 1 16  4  5  o 289.6404 3.017618  840.4830       17.47816  848.5533       24.96334  832.7223       24.47947  2.721375       6.035236  
1 1 1 16  4  6  o 273.5775 2.852885  749.8380       15.60925  753.4125       22.17683  746.3284       21.97419  1.289917       5.705770  
1 1 1 16  4  7  o 75.90646 0.8684983 57.17061       1.311053  53.57150       1.745136  61.83379       1.986428  -5.440598      1.736997  
1 1 1 16  4  8  o 297.4974 3.100653  887.0931       18.44658  894.7962       26.32856  879.6660       25.85276  2.529633       6.201305  
1 1 1 16  4  9  o 204.8068 2.146201  419.8436       8.788931  414.8296       12.26647  425.1331       12.59905  -2.508820      4.292401  
1 1 1 16  4  10 o 154.6775 1.639061  237.9209       5.043955  225.6564       6.732798  253.6092       7.614814  -9.021744      3.278122  
1 1 1 16  4  11 o 87.10857 0.9733509 75.16730       1.683535  81.84654       2.574600  70.17799       2.225191  6.694183       1.946702  
1 1 1 16  4  12 o 185.0313 1.945613  342.4583       7.194587  350.2960       10.41941  335.3159       9.946427  4.037994       3.891226  
1 1 1 16  4  13 o 118.5015 1.277472  140.4308       3.026459  142.8509       4.354143  138.1687       4.209635  1.973450       2.554945  
1 1 1 16  4  14 o 116.7945 1.261990  135.3096       2.927328  127.1818       3.874790  146.1167       4.468037  -8.096878      2.523980  
1 1 1 16  4  15 o 172.2985 2.579451  297.5797       8.887231  300.6680       12.70794  294.6234       12.43344  1.744385       5.158902  
1 1 1 16  4  16 o 206.7464 2.170959  428.0933       8.972619  421.1734       12.46488  435.5348       12.92609  -3.457672      4.341917  
1 1 1 16  4  17 o 172.5432 1.821603  298.1291       6.285315  300.7607       8.974158  295.5953       8.805789  1.491760       3.643206  
1 1 1 16  4  18 o 151.9747 1.614639  231.0484       4.903421  236.6831       7.114247  225.9492       6.767694  3.520889       3.229279  
1 1 1 16  4  19 o 70.25926 0.8303036 49.28137       1.165061  51.25695       1.704100  47.54749       1.596454  2.637878       1.660607  
1 1 1 16  4  20 o 156.1298 2.029243  244.3502       5.975496  244.1370       7.319707  244.7761       10.34633  -0.5725098E-01 4.058486  
1 1 1 16  4  21 o 66.44891 1.108667  44.15965       1.472585  45.33492       2.126085  43.07594       2.041584  1.697136       2.217333  
1 1 1 16  4  22 o 78.24046 1.144573  61.62654       1.779518  57.57318       2.615257  65.12125       2.428359  -4.830559      2.289146  
1 1 1 16  4  23 o 81.87795 0.9345429 67.05675       1.529647  65.85693       2.124246  68.34890       2.204478  -1.519165      1.869086  
1 1 1 16  4  24 f 39.25130 0.6119570 15.40094       0.4802090 15.89412       0.6907901 14.93973       0.6680184 1.215183       1.223914  
1 1 1 16  4  25 o 84.17351 0.9554712 70.92290       1.608314  71.61178       2.296103  70.25935       2.253494  0.8015289      1.910942  
1 1 1 16  4  26 f 72.39923 0.8519398 52.46350       1.233538  52.04418       1.734203  52.89292       1.754953  -0.5853043     1.703880  
1 1 1 16  4  27 o 53.53207 0.7004369 28.65101       0.7494988 29.45931       1.082302  27.90619       1.038930  1.449074       1.400874  
1 1 1 16  4  28 o 16.33460 0.7621022 2.679611       0.2472264 3.071264       0.3518953 2.297878       0.3474096 2.367138       1.524204  
1 1 1 16  4  29 o 32.56912 0.9249659 10.65598       0.6006296 9.941106       0.8630680 11.32736       0.8363968 -2.129660      1.849932  
1 1 1 16  4  30 o 75.81577 1.149246  57.96379       1.722415  60.06400       2.293243  55.24565       2.608896  3.202850       2.298492  
1 1 1 16  4  31 f 77.58319 0.9060432 60.26477       1.405439  61.30449       2.018346  59.28609       1.958201  1.296913       1.812086  
1 1 1 16  4  32 f 95.67052 1.072180  91.71729       2.050613  93.49969       2.953628  90.05868       2.849199  1.789253       2.144360  
1 1 1 16  4  33 o 23.33644 0.6757398 5.451495       0.3148864 5.047050       0.4408309 5.872830       0.4499420 -1.768747      1.351480  
1 1 1 16  4  34 o 54.39433 0.7236359 29.54273       0.7857365 28.24745       1.071543  31.04923       1.155612  -2.569286      1.447272  
1 1 1 16  4  35 f 22.90667 0.6882569 5.253175       0.3148987 5.227065       0.4338317 5.282252       0.4578027 -0.1187096     1.376514  
1 1 1 16  4  36 o 35.04096 0.8733509 12.02338       0.6032481 10.70611       0.7768095 14.02471       0.9574923 -4.717037      1.746702  
1 1 1 16  4  37 o 43.38123 0.6735122 18.84553       0.5842859 19.13785       0.8341406 18.56394       0.8186862 0.6601486      1.347024  
1 1 1 16  4  38 o 25.93222 0.6869465 6.734900       0.3562159 6.562765       0.4992692 6.913380       0.5083852 -0.6751766     1.373893  
1 1 1 16  4  39 o 53.08470 0.7321510 27.92770       0.7723048 25.57172       1.023584  31.04166       1.176777  -5.136200      1.464302  
1 1 1 16  4  40 o 34.69537 0.6732327 12.06148       0.4670962 12.29497       0.6606514 11.82810       0.6604963 0.6727982      1.346465  
1 1 1 16  4  41 o 45.55396 0.8696454 20.09575       0.7297125 19.04025       0.8654037 22.69243       1.357371  -3.938286      1.739291  
1 1 1 16  4  42 o 45.92162 1.156259  20.66727       0.8977667 22.29029       1.892139  20.19574       1.019876  2.108253       2.312517  
1 1 1 16  4  43 o 39.94669 0.6986629 15.95050       0.5573237 17.16035       0.8124326 14.87509       0.7659676 2.854511       1.397326  
1 1 1 16  4  44 o 24.63334 1.045481  6.224587       0.4620198 5.831025       0.8590466 6.384760       0.5480310 -1.186174      2.090963  
1 1 1 16  4  45 o 15.65612 1.303667  2.578198       0.3768280 2.774774       0.4632618 2.193779       0.6478357 1.905177       2.607333  
1 1 1 16  4  46 o 14.60237 1.117821  2.149914       0.3260854 2.024677       0.4596663 2.276786       0.4626571 -0.8625126     2.235642  
1 1 1 16  4  47 o 11.60160 1.417867  1.407325       0.3166947 1.657531       0.4406701 1.140063       0.4554430 2.419473       2.835735  
1 1 1 16  4  48 o 17.71211 0.9911220 3.134972       0.3489447 2.686394       0.4732684 3.669305       0.5165293 -2.764067      1.982244  
1 1 1 16  4  49 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  5  0  o 56.64299 0.6928616 31.78175       0.7801012 34.82651       1.186190  29.46123       1.035549  4.735207       1.385723  
1 1 1 16  5  1  o 176.2791 1.854997  309.9397       6.521248  298.0496       8.831916  324.1930       9.669812  -7.402969      3.709994  
1 1 1 16  5  2  o 81.19097 0.9123544 65.77560       1.478828  68.42948       2.171638  63.48074       2.019408  3.046509       1.824709  
1 1 1 16  5  3  f 55.04651 0.6808102 29.78628       0.7414934 33.86691       1.156700  26.93960       0.9661080 6.291218       1.361620  
1 1 1 16  5  4  o 138.4700 1.472498  191.3039       4.068679  199.3357       6.001625  184.4733       5.534661  5.361191       2.944996  
1 1 1 16  5  5  o 161.1402 1.702712  259.7704       5.486169  256.9688       7.658995  262.7227       7.862226  -1.782501      3.405424  
1 1 1 16  5  6  o 159.8788 1.689286  255.5820       5.397752  250.5885       7.466752  261.0482       7.812102  -3.266052      3.378572  
1 1 1 16  5  7  o 122.6658 1.315472  150.5348       3.227255  150.3973       4.556743  150.6732       4.571348  -0.1122971     2.630943  
1 1 1 16  5  8  o 39.99995 0.5866488 15.48156       0.4613722 19.16470       0.7384498 13.12323       0.5908989 7.551044       1.173298  
1 1 1 16  5  9  o 153.3563 1.626182  234.3865       4.970847  224.3618       6.707084  246.6033       7.404175  -7.240631      3.252365  
1 1 1 16  5  10 o 39.42001 0.5856001 15.12799       0.4548589 13.19161       0.5852265 18.08263       0.7229053 -6.202904      1.171200  
1 1 1 16  5  11 o 102.3517 1.123595  104.5894       2.296416  101.2876       3.143115  108.3700       3.363300  -3.457146      2.247190  
1 1 1 16  5  12 o 118.8322 1.280568  141.2088       3.042065  138.9273       4.226363  143.6616       4.382122  -1.989746      2.561136  
1 1 1 16  5  13 o 261.0421 2.724921  682.8763       14.22173  673.5965       19.81218  692.7413       20.42706  -3.647034      5.449842  
1 1 1 16  5  14 f 132.8832 1.423070  176.4053       3.776425  182.0760       5.523658  171.4284       5.174744  3.999847       2.846139  
1 1 1 16  5  15 o 245.8951 2.571608  605.9911       12.64087  596.0934       17.55554  616.6482       18.21657  -4.154297      5.143216  
1 1 1 16  5  16 o 212.5636 2.229529  452.8338       9.478005  454.9749       13.47139  450.7351       13.33746  0.9925079      4.459059  
1 1 1 16  5  17 f 127.4550 1.369839  162.2276       3.485293  168.3836       5.120875  156.9151       4.757101  4.490295       2.739677  
1 1 1 16  5  18 o 25.36470 0.6081903 6.453492       0.3074218 7.043950       0.4330649 5.853697       0.4364752 2.346321       1.216381  
1 1 1 16  5  19 o 69.07940 0.8181904 47.04092       1.119001  52.60987       1.739262  43.10761       1.461697  6.872543       1.636381  
1 1 1 16  5  20 o 47.42057 0.6542445 22.48007       0.6202601 21.99053       0.8628268 23.00360       0.8922745 -1.067669      1.308489  
1 1 1 16  5  21 o 84.09536 0.9529681 70.68581       1.601270  68.83578       2.206887  72.74261       2.326955  -2.319366      1.905936  
1 1 1 16  5  22 o 48.73207 0.8028976 22.58308       0.7137815 21.04920       0.8378891 26.64119       1.362865  -5.723446      1.605795  
1 1 1 16  5  23 o 162.0432 2.432313  264.0254       7.878898  259.6898       10.93903  268.6993       11.35765  -2.742981      4.864627  
1 1 1 16  5  24 o 62.97345 0.9289153 39.84290       1.123396  39.17597       1.863132  40.22388       1.408170  -0.8500404     1.857831  
1 1 1 16  5  25 o 45.92484 0.6514865 21.09655       0.5982969 21.58871       0.8538323 20.62178       0.8386121 1.052277       1.302973  
1 1 1 16  5  26 o 34.44375 0.6037762 11.85349       0.4155742 11.48825       0.5734497 12.25746       0.6030914 -1.115742      1.207552  
1 1 1 16  5  27 o 46.32589 0.8908259 20.70746       0.7829151 23.91689       1.380902  19.18711       0.9504328 5.084484       1.781652  
1 1 1 16  5  28 o 37.78061 0.9532194 14.22564       0.7172244 12.50066       0.9808214 16.20809       1.051478  -4.902760      1.906439  
1 1 1 16  5  29 o 23.72364 0.6558691 5.630558       0.3108616 5.995416       0.4443736 5.280890       0.4350248 1.505547       1.311738  
1 1 1 16  5  30 o 22.60724 0.6578850 5.114666       0.2974057 4.979851       0.4182859 5.252499       0.4229429 -0.6027946     1.315770  
1 1 1 16  5  31 o 38.76779 0.6344331 15.03507       0.4917949 14.67750       0.6868132 15.41133       0.7045313 -0.9455986     1.268866  
1 1 1 16  5  32 o 74.84023 0.8833838 56.11390       1.322251  56.05376       1.868005  56.17427       1.871892  -0.8021545E-01 1.766768  
1 1 1 16  5  33 o 59.86153 0.7630478 35.66065       0.9098576 33.46650       1.221496  38.39534       1.363679  -4.106842      1.526096  
1 1 1 16  5  34 f 54.17018 0.7265899 29.38755       0.7871599 29.16837       1.107296  29.61148       1.119225  -0.4080963     1.453180  
1 1 1 16  5  35 f 65.24786 1.123821  42.04505       1.448311  38.62980       1.878142  47.05539       2.274840  -6.408115      2.247642  
1 1 1 16  5  36 o 60.81973 0.7763231 37.06499       0.9443091 37.25421       1.337235  36.87677       1.333681  0.3099632      1.552646  
1 1 1 16  5  37 o 16.68534 0.8422758 2.809147       0.2792230 3.090579       0.3880692 2.507049       0.4020646 1.750150       1.684552  
1 1 1 16  5  38 o 71.42317 0.8672783 50.90773       1.234708  54.16547       1.840415  48.24137       1.665012  4.126480       1.734557  
1 1 1 16  5  39 o 18.49941 0.8140067 3.425726       0.3005501 3.346160       0.4100937 3.518052       0.4417540 -0.4608574     1.628013  
1 1 1 16  5  40 o 41.64758 0.6781495 17.33595       0.5639012 16.67702       0.7705371 18.09581       0.8274552 -1.697514      1.356299  
1 1 1 16  5  41 o 31.52037 0.6861743 9.964123       0.4321443 10.47945       0.6114331 9.449762       0.6108559 1.633307       1.372349  
1 1 1 16  5  42 f 41.91010 0.7752632 17.66741       0.6396133 17.91044       0.8370098 17.32629       0.9916156 0.7179451      1.550526  
1 1 1 16  5  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  5  44 o 16.33850 0.9861964 2.661615       0.3204796 2.308144       0.4333456 3.088315       0.4761215 -2.379128      1.972393  
1 1 1 16  5  45 o 53.84698 0.7665639 29.04469       0.8246062 27.91964       1.133611  30.30897       1.201704  -2.207035      1.533128  
1 1 1 16  5  46 o 16.73063 0.9851227 2.823508       0.3287143 3.023596       0.4608009 2.616188       0.4690533 1.219358       1.970245  
1 1 1 16  5  47 o 40.72715 0.7256152 16.64764       0.5910228 16.76617       0.8344257 16.52832       0.8372465 0.2924995      1.451230  
1 1 1 16  5  48 o 23.15020 0.8368520 5.364697       0.3863252 4.821076       0.5300872 5.980535       0.5641995 -2.497242      1.673704  
1 1 1 16  6  0  o 107.1317 1.161886  114.6677       2.487245  117.9263       3.611692  111.7282       3.430304  2.891106       2.323772  
1 1 1 16  6  1  o 128.6455 1.374601  165.5136       3.535779  163.4572       4.932573  167.6871       5.070991  -1.642517      2.749202  
1 1 1 16  6  2  o 119.0681 1.280014  141.4251       3.041171  136.3064       4.135870  147.4506       4.487328  -4.676239      2.560027  
1 1 1 16  6  3  o 188.4433 1.980117  355.3976       7.462274  357.7751       10.62870  353.0865       10.47938  1.241638       3.960234  
1 1 1 16  6  4  o 158.0285 1.673526  248.0922       5.257908  234.4124       6.993570  265.8770       7.974165  -9.941528      3.347053  
1 1 1 16  6  5  o 99.12965 1.086322  98.12740       2.150762  95.28483       2.949874  101.3534       3.142532  -3.059090      2.172645  
1 1 1 16  6  6  o 48.88964 0.6372939 23.88316       0.6228534 24.64733       0.8974240 23.17294       0.8651572 1.507690       1.274588  
1 1 1 16  6  7  o 143.2918 1.521951  204.2657       4.340629  194.1725       5.806942  217.0462       6.534399  -7.971268      3.043902  
1 1 1 16  6  8  o 159.6677 1.687921  254.7722       5.383625  248.1766       7.399124  262.1921       7.847867  -4.381638      3.375841  
1 1 1 16  6  9  f 106.0296 1.153641  112.4653       2.446394  112.6944       3.464607  112.2376       3.454862  0.2153244      2.307281  
1 1 1 16  6  10 o 175.8286 1.853006  308.6360       6.501233  297.8340       8.842213  321.3467       9.591719  -6.671356      3.706012  
1 1 1 16  6  11 o 101.3388 1.111344  101.1948       2.225399  93.46362       2.890546  112.4465       3.487115  -9.358643      2.222687  
1 1 1 16  6  12 o 251.8624 2.631023  635.5757       13.24890  627.1065       18.46052  644.5716       19.02580  -3.449677      5.262047  
1 1 1 16  6  13 o 138.6325 1.479014  192.1149       4.096698  197.1769       5.955014  187.5669       5.644650  3.460114       2.958028  
1 1 1 16  6  14 o 192.5813 2.024929  370.3620       7.779147  356.6863       10.55705  386.6096       11.50698  -7.741241      4.049858  
1 1 1 16  6  15 o 89.06187 0.9980783 79.10229       1.773412  75.97428       2.407899  82.81038       2.621684  -3.834465      1.996157  
1 1 1 16  6  16 o 59.88597 0.7404933 35.64911       0.8834636 38.39011       1.322576  33.44061       1.187175  4.130749       1.480987  
1 1 1 16  6  17 o 37.20917 0.6080081 13.84975       0.4523712 13.93911       0.6343686 13.75729       0.6452698 0.2444572      1.216016  
1 1 1 16  6  18 o 121.8719 1.698760  149.6470       4.101275  155.8449       5.504333  141.9117       6.149267  5.740608       3.397521  
1 1 1 16  6  19 o 98.98710 1.092332  97.88501       2.159373  94.91766       2.958983  101.2658       3.158391  -3.201172      2.184664  
1 1 1 16  6  20 o 12.63472 0.8654094 1.631637       0.2139913 1.854561       0.2885662 1.359261       0.3189718 1.960816       1.730819  
1 1 1 16  6  21 o 44.45650 0.6373406 19.71992       0.5657946 18.88111       0.7741343 20.68180       0.8289881 -2.024082      1.274681  
1 1 1 16  6  22 o 44.92670 0.6433783 20.19056       0.5780416 20.59025       0.8212292 19.79809       0.8137702 0.8814468      1.286757  
1 1 1 16  6  23 o 21.21928 0.6416395 4.362006       0.2671992 3.400878       0.3469360 5.763300       0.4189126 -5.564852      1.283279  
1 1 1 16  6  24 o 71.22423 1.019220  51.03719       1.386084  51.62143       1.726005  49.97610       2.326036  1.182045       2.038440  
1 1 1 16  6  25 o 56.21238 2.041622  0.000000       0.000000  ?              ?         31.68621       2.295289  ?              ?         
1 1 1 16  6  26 o 37.21406 1.371565  0.000000       0.000000  ?              ?         13.86780       1.020830  ?              ?         
1 1 1 16  6  27 o 50.04029 0.6806821 25.05001       0.6811177 25.54390       0.9738764 24.57711       0.9529558 0.9652405      1.361364  
1 1 1 16  6  28 o 86.31010 0.9816699 74.46685       1.692026  77.19335       2.476129  72.07847       2.317510  2.953911       1.963340  
1 1 1 16  6  29 o 54.01593 0.7120661 29.07957       0.7671703 30.89676       1.137354  27.56259       1.039167  3.081497       1.424132  
1 1 1 16  6  30 o 29.46993 0.6179844 8.673289       0.3634615 9.512727       0.5261419 7.907033       0.5026845 2.723274       1.235969  
1 1 1 16  6  31 f 45.51093 0.6614717 20.72829       0.6020179 20.39252       0.8440974 21.07590       0.8588583 -0.7500000     1.322943  
1 1 1 16  6  32 o 41.54311 0.6535261 17.08742       0.5400068 19.36985       0.8151606 15.30247       0.7208720 4.890057       1.307052  
1 1 1 16  6  33 o 48.91998 0.6895497 23.86644       0.6730680 22.58940       0.9142915 25.37731       0.9944801 -2.844055      1.379099  
1 1 1 16  6  34 o 36.06181 0.7463548 13.17446       0.5262704 12.26468       0.8206170 13.81004       0.6858898 -2.153103      1.492710  
1 1 1 16  6  35 o 28.03274 0.6531683 7.851449       0.3639775 9.111867       0.5288500 6.717098       0.5017059 4.269394       1.306337  
1 1 1 16  6  36 o 29.56974 0.6528326 8.760321       0.3859006 9.028744       0.5441040 8.488631       0.5474026 0.9135494      1.305665  
1 1 1 16  6  37 o 52.51282 0.7249503 27.44046       0.7584894 29.87949       1.134582  25.46961       1.019893  4.187798       1.449901  
1 1 1 16  6  38 o 28.94312 0.6655080 8.383718       0.3849087 8.214640       0.5314599 8.570246       0.5582112 -0.6118679     1.331016  
1 1 1 16  6  39 f 37.52293 0.6707769 14.06467       0.5024652 15.30526       0.7313216 12.95540       0.6915331 3.127338       1.341554  
1 1 1 16  6  40 o 29.97752 0.6808473 8.996088       0.4079967 8.703957       0.5663835 9.311185       0.5882249 -1.010469      1.361695  
1 1 1 16  6  41 f 40.44752 0.7672848 16.55033       0.6138220 15.25842       0.9172479 17.59811       0.8260483 -2.904427      1.534570  
1 1 1 16  6  42 o 32.11409 1.066045  10.23704       0.6767049 11.23045       1.057432  9.548015       0.8806493 2.586025       2.132089  
1 1 1 16  6  43 o 15.02715 1.094713  2.389982       0.3101927 3.133244       0.4256878 1.548521       0.4529365 5.278260       2.189427  
1 1 1 16  6  44 o 28.25520 0.9644378 7.959382       0.5401039 7.561386       0.7104005 8.504566       0.8314476 -1.645483      1.928876  
1 1 1 16  6  45 o 14.51797 1.103305  2.122158       0.3149654 1.636245       0.4318703 2.674268       0.4603491 -3.568052      2.206609  
1 1 1 16  6  46 f 43.64379 0.7217071 19.09716       0.6295023 18.75289       0.8708178 19.47398       0.9110454 -0.8194962     1.443414  
1 1 1 16  6  47 f 48.26053 0.7499366 23.38287       0.7238308 23.25834       1.019517  23.50943       1.027837  -0.2585793     1.499873  
1 1 1 16  6  48 o 16.75041 1.348225  3.108602       0.3979898 3.538519       0.4844553 2.216122       0.6980081 4.012728       2.696450  
1 1 1 16  7  0  o 94.19415 1.487899  88.76894       2.803021  88.98616       3.969270  88.55283       3.958891  0.2298813      2.975798  
1 1 1 16  7  1  o 67.38438 1.155461  45.41393       1.557022  45.01208       2.182163  45.83070       2.222309  -0.6070404     2.310922  
1 1 1 16  7  2  o 154.2431 2.324470  238.1890       7.170049  240.0926       10.22149  236.3449       10.06039  1.211700       4.648940  
1 1 1 16  7  3  o 142.0273 2.150773  201.4350       6.096707  209.5585       8.975885  194.4772       8.307002  5.296783       4.301546  
1 1 1 16  7  4  f 257.3660 3.810344  664.0595       19.59421  681.0255       28.46667  648.7838       27.01136  6.214188       7.620687  
1 1 1 16  7  5  o 167.9479 2.519060  282.5181       8.461192  281.2579       11.91330  283.8008       12.01926  -0.7546234     5.038120  
1 1 1 16  7  6  o 221.3108 2.321941  489.7919       10.26509  504.0003       14.96211  477.1567       14.10944  6.046097       4.643881  
1 1 1 16  7  7  o 175.1407 1.846318  306.8807       6.464618  302.0717       8.988289  312.0343       9.304616  -2.838440      3.692637  
1 1 1 16  7  8  o 219.2812 2.299367  478.6750       10.03220  509.1487       15.13436  454.7893       13.39897  12.35371       4.598735  
1 1 1 16  7  9  o 117.5805 1.267442  137.9824       2.974722  133.2497       4.057315  143.4836       4.374332  -4.347549      2.534885  
1 1 1 16  7  10 o 56.48738 0.7031036 31.08904       0.7804881 27.76516       0.9970083 36.35005       1.254329  -7.596912      1.406207  
1 1 1 16  7  11 o 109.8013 1.192750  119.9796       2.607940  114.1815       3.497940  127.2363       3.913280  -5.938873      2.385499  
1 1 1 16  7  12 o 92.90424 1.029564  86.27029       1.911779  88.33054       2.764547  84.38204       2.646634  2.123489       2.059129  
1 1 1 16  7  13 o 112.2536 1.221359  124.7495       2.718801  136.0417       4.185466  116.5065       3.575995  8.690712       2.442719  
1 1 1 16  7  14 o 153.9378 1.633767  237.1779       5.028786  234.1418       7.020527  240.3772       7.206682  -2.020508      3.267534  
1 1 1 16  7  15 f 73.09539 0.8501967 52.85496       1.232810  49.09019       1.622974  57.99016       1.895491  -6.084061      1.700393  
1 1 1 16  7  16 o 109.1883 1.190000  119.3096       2.598653  119.0078       3.664727  119.6149       3.685459  -0.2775421     2.380000  
1 1 1 16  7  17 o 139.2823 1.487538  194.0360       4.139834  199.1720       6.013794  189.4100       5.707430  3.494431       2.975076  
1 1 1 16  7  18 o 82.86456 0.9436416 68.38548       1.558506  72.44954       2.323835  65.06320       2.101081  4.451843       1.887283  
1 1 1 16  7  19 o 72.04059 1.232342  51.63393       1.767852  55.36607       2.655062  48.66146       2.369479  4.643700       2.464684  
1 1 1 16  7  20 o 121.5633 1.313645  147.8032       3.190320  152.0980       4.644419  143.9662       4.389918  3.334137       2.627290  
1 1 1 16  7  21 o 25.00872 0.6036521 6.222088       0.3010528 5.796402       0.4073844 6.734253       0.4468534 -1.874245      1.207304  
1 1 1 16  7  22 f 105.2640 1.156033  110.4190       2.424466  116.9428       3.624885  105.1383       3.261291  5.591377       2.312065  
1 1 1 16  7  23 o 43.17965 0.9838308 18.66192       0.8493266 18.85252       1.220006  18.48268       1.183102  0.4266777      1.967662  
1 1 1 16  7  24 o 51.12546 1.028041  25.66254       1.040038  22.68576       1.356254  29.91189       1.620424  -7.054554      2.056081  
1 1 1 16  7  25 o 90.93007 1.023269  82.78527       1.860565  81.89220       2.600979  83.72113       2.662574  -1.002563      2.046539  
1 1 1 16  7  26 o 51.68748 0.8352578 26.24732       0.8118547 25.33786       0.9837936 28.18885       1.437423  -2.737835      1.670516  
1 1 1 16  7  27 o 74.49860 1.211095  55.55608       1.803070  57.46675       2.614401  53.82291       2.489997  2.437103       2.422191  
1 1 1 16  7  28 o 32.62849 0.6974417 10.44805       0.4401028 11.45115       0.7355494 9.888689       0.5492715 2.386047       1.394883  
1 1 1 16  7  29 o 74.80647 0.8797415 55.70431       1.310460  59.60215       1.968107  52.59978       1.756443  4.667236       1.759483  
1 1 1 16  7  30 o 93.13792 1.052209  86.91699       1.959520  85.66959       2.734270  88.23412       2.809624  -1.370895      2.104418  
1 1 1 16  7  31 o 50.47106 0.6965858 25.34039       0.7007311 27.53745       1.044999  23.54536       0.9445617 3.949017       1.393172  
1 1 1 16  7  32 o 77.48170 0.9096070 60.13825       1.409180  59.18427       1.965344  61.14764       2.021610  -1.262337      1.819214  
1 1 1 16  7  33 o 65.55386 0.8109591 43.01001       1.062516  41.86762       1.470059  44.25956       1.537456  -1.818787      1.621918  
1 1 1 16  7  34 o 16.19681 0.8212029 2.627156       0.2654869 2.604553       0.3634222 2.653024       0.3887686 -0.1473999     1.642406  
1 1 1 16  7  35 o 50.04488 0.7069404 25.00204       0.7061590 26.41343       1.039701  23.79340       0.9621242 2.611263       1.413881  
1 1 1 16  7  36 o 37.21391 0.6527317 13.86969       0.4857736 13.84576       0.6823311 13.89429       0.6917408 -0.6441498E-01 1.305463  
1 1 1 16  7  37 o 5.693735 1.503087  0.2258198      0.2397634 0.3817585      0.3246062 0.3860444E-01  0.3556726 1.353739       3.006173  
1 1 1 16  7  38 o 33.13647 0.6598395 10.89936       0.4352141 9.674017       0.5857075 12.40997       0.6503223 -4.122259      1.319679  
1 1 1 16  7  39 o 71.86673 0.8767695 51.81242       1.260174  51.99562       1.790267  51.63249       1.774153  0.2505569      1.753539  
1 1 1 16  7  40 o 47.49870 0.9866592 22.79547       0.9088122 22.11507       1.466609  23.21960       1.157924  -1.212719      1.973318  
1 1 1 16  7  41 o 27.82920 0.9219530 8.151175       0.4717174 8.857891       0.5796535 6.765419       0.8116882 3.795630       1.843906  
1 1 1 16  7  42 o 26.25132 0.7259153 6.919792       0.3805708 7.237579       0.5331865 6.589744       0.5433748 1.235245       1.451831  
1 1 1 16  7  43 o 51.25466 0.7438089 26.25782       0.7610785 28.03083       1.117566  24.72433       1.039341  3.214062       1.487618  
1 1 1 16  7  44 o 43.31647 1.091967  18.81141       0.9408830 19.69038       1.418503  18.12091       1.257260  1.774315       2.183935  
1 1 1 16  7  45 o 12.69197 1.571600  1.736291       0.3742838 2.023482       0.4907801 1.337072       0.5786390 2.933687       3.143200  
1 1 1 16  7  46 o 9.509594 1.588716  0.9548861      0.2961987 0.9505931      0.3970083 0.9602756      0.4448363 -0.3226185E-01 3.177432  
1 1 1 16  7  47 o 32.05835 0.7294011 10.18912       0.4647032 8.913025       0.6202739 11.82174       0.7015926 -4.521723      1.458802  
1 1 1 16  7  48 o 25.59015 2.463688  0.000000       0.000000  ?              ?         6.690664       1.260923  ?              ?         
1 1 1 16  8  0  o 75.07150 1.250724  55.77353       1.863220  51.83402       2.456049  61.11462       2.859772  -6.176819      2.501448  
1 1 1 16  8  1  o 78.44841 1.291790  61.44749       2.024174  63.86243       2.955472  59.31388       2.777993  2.897049       2.583579  
1 1 1 16  8  2  o 220.1066 3.269329  485.7495       14.39110  482.7861       20.21622  488.7939       20.49074  -1.356674      6.538658  
1 1 1 16  8  3  o 174.4790 2.611509  304.7731       9.108295  310.6368       13.13876  299.3479       12.63798  3.223099       5.223018  
1 1 1 16  8  4  o 169.3844 2.539824  286.8860       8.591247  296.3643       12.56887  278.5740       11.77014  5.232483       5.079647  
1 1 1 16  8  5  o 187.1499 2.795756  350.9774       10.46395  353.0985       14.89132  348.9085       14.70692  1.114426       5.591513  
1 1 1 16  8  6  o 169.7661 2.546446  288.6692       8.644239  292.0488       12.37556  285.4493       12.07942  1.936081       5.092891  
1 1 1 16  8  7  o 64.32474 1.139950  41.28708       1.464074  43.16811       2.147924  39.65472       2.000910  2.729210       2.279901  
1 1 1 16  8  8  o 27.78671 0.9867836 7.725409       0.5477246 7.766793       0.7572838 7.680010       0.7931601 0.1565437      1.973567  
1 1 1 16  8  9  f 173.6246 1.834956  300.5919       6.350840  315.8123       9.452857  288.0697       8.574184  7.970932       3.669912  
1 1 1 16  8  10 o 152.8585 1.620801  233.8565       4.954906  232.8428       6.974148  234.8898       7.040918  -0.6682434     3.241602  
1 1 1 16  8  11 o 56.16719 0.7020140 31.55330       0.7885975 31.56512       1.113254  31.54138       1.117247  0.2117538E-01  1.404028  
1 1 1 16  8  12 o 90.22739 1.005327  81.27144       1.811330  84.40498       2.652937  78.53510       2.479103  3.250282       2.010653  
1 1 1 16  8  13 o 154.9756 1.643343  240.4501       5.093323  239.1745       7.161829  241.7556       7.244985  -0.8305817     3.286686  
1 1 1 16  8  14 o 165.3939 1.748427  273.8463       5.781803  270.2026       8.057965  277.7130       8.300853  -2.263412      3.496854  
1 1 1 16  8  15 o 44.89706 0.6382993 20.08074       0.5719484 21.48921       0.8425035 18.87678       0.7789446 2.908592       1.276599  
1 1 1 16  8  16 o 238.8448 2.502764  572.5529       11.95355  567.2402       16.72832  578.0958       17.08713  -2.253082      5.005529  
1 1 1 16  8  17 f 41.07953 0.6081634 16.82296       0.4984758 16.10445       0.6771928 17.67267       0.7364293 -1.907909      1.216327  
1 1 1 16  8  18 o 60.07941 0.7433787 36.02151       0.8915434 34.74984       1.216455  37.49731       1.310451  -2.284653      1.486757  
1 1 1 16  8  19 o 87.49118 0.9853793 76.60338       1.724106  77.27697       2.456969  75.94994       2.419960  0.7572556      1.970759  
1 1 1 16  8  20 o 129.9555 1.995873  169.2996       5.181980  164.9768       7.133473  174.1296       7.540291  -3.494293      3.991746  
1 1 1 16  8  21 o 89.39142 1.449705  79.40941       2.575522  85.88725       3.917013  74.47585       3.418372  6.356750       2.899411  
1 1 1 16  8  22 o 143.4315 2.190018  206.9073       6.282187  207.6539       8.922985  206.1735       8.846218  0.5088959      4.380036  
1 1 1 16  8  23 o 96.72228 1.076389  93.63931       2.081348  95.40147       2.996244  91.99606       2.893391  1.755386       2.152777  
1 1 1 16  8  24 o 66.13821 0.8012351 43.72573       1.058771  42.62618       1.458349  44.95122       1.539608  -1.754570      1.602470  
1 1 1 16  8  25 o 25.84715 0.6238287 6.634210       0.3177514 8.376846       0.4713869 5.182977       0.4301725 6.177044       1.247657  
1 1 1 16  8  26 o 51.76935 0.6997463 26.64084       0.7217933 28.95897       1.079290  24.76516       0.9708411 4.046299       1.399493  
1 1 1 16  8  27 o 52.06525 0.7017918 27.13169       0.7307466 27.26747       1.030220  26.99421       1.036673  0.2626877      1.403584  
1 1 1 16  8  28 o 85.12189 1.350876  72.55217       2.296245  75.60481       3.363000  69.88599       3.142921  3.338539       2.701751  
1 1 1 16  8  29 o 96.70840 1.510310  93.93138       2.920840  95.18651       4.170640  92.72321       4.091868  1.265182       3.020621  
1 1 1 16  8  30 o 45.93312 0.7131727 20.49274       0.6392819 23.96578       1.052068  18.45975       0.8049276 5.979370       1.426345  
1 1 1 16  8  31 o 59.64594 0.9133882 35.94165       1.048981  36.77225       1.324318  34.54299       1.718510  1.899605       1.826776  
1 1 1 16  8  32 o 96.33908 1.084294  93.07918       2.088505  94.41711       3.000089  91.82105       2.909192  1.337685       2.168588  
1 1 1 16  8  33 o 49.15315 0.6961604 24.13467       0.6833490 23.12035       0.9356427 25.29426       1.000408  -2.206635      1.392321  
1 1 1 16  8  34 o 60.82153 0.7762384 36.99504       0.9431486 35.69555       1.296240  38.45695       1.374856  -2.263233      1.552477  
1 1 1 16  8  35 o 76.66507 0.9075653 58.93496       1.391451  58.39051       1.952253  59.49710       1.983744  -0.7182083     1.815131  
1 1 1 16  8  36 o 61.18652 0.7867839 37.51133       0.9625918 36.91891       1.343870  38.13554       1.379448  -0.9904938     1.573568  
1 1 1 16  8  37 o 54.39059 0.7416941 29.51579       0.8046319 27.94028       1.089873  31.40339       1.192942  -3.173069      1.483388  
1 1 1 16  8  38 o 57.74220 0.8390754 33.41240       0.9543212 33.58876       1.486163  33.28865       1.244892  0.2304306      1.678151  
1 1 1 16  8  39 o 41.56068 1.056629  17.37328       0.8760782 17.11271       1.279853  17.60302       1.201755  -0.6025810     2.113258  
1 1 1 16  8  40 o 23.84571 0.7240138 5.713808       0.3444422 5.955142       0.4775034 5.452014       0.4973311 1.057459       1.448028  
1 1 1 16  8  41 o 19.65951 0.8040531 3.815892       0.3135878 3.367840       0.4134168 4.422982       0.4812273 -2.673903      1.608106  
1 1 1 16  8  42 o 24.31743 0.7371534 5.877377       0.3566697 5.419854       0.4758256 6.464121       0.5388470 -2.138414      1.474307  
1 1 1 16  8  43 o 28.65268 0.7256474 8.251168       0.4143881 9.064064       0.5870638 7.443953       0.5850082 2.826857       1.451295  
1 1 1 16  8  44 o 47.85641 0.7332189 22.98053       0.7016947 23.00504       0.9847876 22.95525       1.000081  0.5453110E-01  1.466438  
1 1 1 16  8  45 o 8.339287 1.533440  0.7488279      0.2831049 1.124680       0.3795143 0.2772770      0.4250928 4.094842       3.066880  
1 1 1 16  8  46 o 24.02312 0.9962978 5.748499       0.4716399 5.468526       0.6102913 6.163659       0.7431660 -1.414427      1.992596  
1 1 1 16  8  47 o 56.42329 0.8379424 32.04999       0.9429826 31.05493       1.372773  32.93900       1.297561  -1.684948      1.675885  
1 1 1 16  9  0  o 63.31990 1.122611  40.03312       1.420099  41.66570       2.068783  38.57835       1.952872  2.436699       2.245223  
1 1 1 16  9  1  o 114.9814 1.776673  131.8339       4.074042  138.4615       6.042981  126.3116       5.516127  5.274734       3.553347  
1 1 1 16  9  2  f 118.3392 1.828476  139.7723       4.318120  145.8889       6.366135  134.5601       5.876676  4.778099       3.656952  
1 1 1 16  9  3  o 102.8895 1.617219  105.9008       3.326768  104.5564       4.633771  107.3309       4.779118  -1.346039      3.234437  
1 1 1 16  9  4  o 199.0706 2.970416  396.3832       11.80346  383.5774       16.10279  411.2537       17.35239  -6.913696      5.940832  
1 1 1 16  9  5  o 121.5921 1.875788  147.9623       4.560699  146.1677       6.372891  149.8462       6.529570  -1.509506      3.751576  
1 1 1 16  9  6  o 319.7083 4.735188  1027.292       30.22912  997.8734       41.37741  1060.968       44.26990  -9.718750      9.470375  
1 1 1 16  9  7  o 159.2869 2.400426  254.1472       7.646131  251.8649       10.71000  256.5196       10.91957  -1.455460      4.800853  
1 1 1 16  9  8  f 349.4234 5.180505  1230.445       36.16888  1202.735       49.86162  1261.218       52.54484  -8.205933      10.36101  
1 1 1 16  9  9  o 139.3763 2.119647  194.4913       5.906815  197.3937       8.478858  191.7544       8.233538  2.016571       4.239294  
1 1 1 16  9  10 o 24.61285 1.063964  6.039259       0.5226364 5.743514       0.7113664 6.386122       0.7703966 -1.304581      2.127928  
1 1 1 16  9  11 o 170.6328 1.804564  291.5340       6.157955  293.5611       8.768986  289.5617       8.649569  1.168686       3.609127  
1 1 1 16  9  12 o 98.03525 1.079589  96.12030       2.116051  94.71842       2.947228  97.61185       3.040026  -1.474113      2.159177  
1 1 1 16  9  13 o 135.2784 1.446190  183.1854       3.912760  183.3918       5.538950  182.9799       5.528024  0.1519775      2.892380  
1 1 1 16  9  14 o 141.9482 1.513895  201.6438       4.296076  198.4806       5.972425  205.0353       6.184249  -2.302658      3.027791  
1 1 1 16  9  15 o 126.3289 1.357955  159.7604       3.430791  160.7995       4.882706  158.7472       4.821613  0.8104858      2.715909  
1 1 1 16  9  16 o 102.9482 1.131453  105.9952       2.328345  108.3694       3.360949  103.8044       3.228591  2.213570       2.262906  
1 1 1 16  9  17 o 86.32021 0.9721157 74.50061       1.677231  76.33653       2.424231  72.81490       2.322936  2.037216       1.944231  
1 1 1 16  9  18 o 31.04375 0.8131123 9.999362       0.4489938 8.851119       0.8340421 10.46792       0.5327842 -2.611284      1.626225  
1 1 1 16  9  19 o 102.9274 1.625360  106.1899       3.345515  105.2372       4.689616  107.1772       4.774058  -0.9377975     3.250719  
1 1 1 16  9  20 f 100.3143 1.372912  100.7138       2.580020  100.5164       3.138863  101.1251       4.529969  -0.2365189     2.745824  
1 1 1 16  9  21 o 78.40518 1.318877  61.51324       2.066228  59.66695       2.848335  63.56397       3.001882  -2.476723      2.637754  
1 1 1 16  9  22 o 26.52384 0.6037462 6.856540       0.3160742 5.846097       0.4097447 8.341309       0.4966915 -4.701347      1.207492  
1 1 1 16  9  23 o 66.14039 0.8029852 43.76107       1.061885  44.70935       1.524439  42.86726       1.480010  1.390869       1.605970  
1 1 1 16  9  24 o 43.01146 0.6416255 18.29778       0.5482895 16.70859       0.7261298 20.40569       0.8362825 -4.294155      1.283251  
1 1 1 16  9  25 o 50.09772 0.6841232 25.11534       0.6853984 25.07548       0.9624916 25.15634       0.9762543 -0.8019257E-01 1.368246  
1 1 1 16  9  26 o 23.71223 0.6379302 5.543495       0.3002474 4.798155       0.3986307 6.520708       0.4564450 -3.630053      1.275860  
1 1 1 16  9  27 o 14.91840 0.8405694 2.307930       0.2408555 2.928082       0.3326034 1.624157       0.3492480 4.371094       1.681139  
1 1 1 16  9  28 o 89.20953 1.013259  79.42046       1.802367  83.77202       2.678164  75.81799       2.436765  4.440918       2.026518  
1 1 1 16  9  29 o 68.63894 0.9022921 46.53123       1.208532  44.33207       1.532253  50.15141       1.965921  -4.209076      1.804584  
1 1 1 16  9  30 o 15.93590 0.9600334 2.631146       0.2956897 3.065695       0.3942831 2.072637       0.4469968 3.119942       1.920067  
1 1 1 16  9  31 o 76.55643 1.142095  57.89860       1.689787  62.28864       2.818530  55.43528       2.111300  4.400856       2.284189  
1 1 1 16  9  32 o 43.22038 0.6659581 18.70431       0.5756588 18.72577       0.8146419 18.68291       0.8135682 0.4950714E-01  1.331916  
1 1 1 16  9  33 o 38.97191 0.6498162 15.20811       0.5064602 15.23988       0.7127023 15.17570       0.7198369 0.8284378E-01  1.299632  
1 1 1 16  9  34 o 28.38150 0.6604325 8.062341       0.3747714 7.875877       0.5224088 8.260061       0.5379462 -0.6756115     1.320865  
1 1 1 16  9  35 o 43.25233 0.6683193 18.71243       0.5776415 18.13553       0.7971543 19.35028       0.8382077 -1.400745      1.336639  
1 1 1 16  9  36 o 17.56251 0.8136538 3.091786       0.2842502 3.087762       0.3825093 3.096749       0.4247876 -0.2092743E-01 1.627308  
1 1 1 16  9  37 o 54.75865 1.116127  30.13976       1.221932  29.16182       1.724570  31.12570       1.731599  -1.792099      2.232254  
1 1 1 16  9  38 o 54.93322 0.9481123 29.92177       0.9587832 29.36455       1.144806  31.23077       1.754642  -1.614632      1.896225  
1 1 1 16  9  39 o 36.75596 0.6747291 13.53826       0.4959806 13.48421       0.6973212 13.59360       0.7055969 -0.1478844     1.349458  
1 1 1 16  9  40 o 21.41320 0.7940137 4.651155       0.3340509 5.662240       0.4732094 3.646796       0.4716333 4.705864       1.588027  
1 1 1 16  9  41 o 28.47271 0.6947566 8.099411       0.3948797 7.686030       0.5385386 8.580107       0.5807340 -1.564772      1.389513  
1 1 1 16  9  42 o 46.94743 0.7172921 22.05501       0.6727376 21.02620       0.9253816 23.20821       0.9797323 -2.316216      1.434584  
1 1 1 16  9  43 o 39.50055 0.7023364 15.62843       0.5544966 16.32931       0.8005443 14.98206       0.7687737 1.700691       1.404673  
1 1 1 16  9  44 o 41.43020 0.7075388 17.21795       0.5862618 17.34227       0.8308898 17.09470       0.8273205 0.2982254      1.415078  
1 1 1 16  9  45 o 14.08483 1.429484  1.908689       0.3566757 1.800381       0.4119227 2.233178       0.7129934 -1.437851      2.858969  
1 1 1 16  9  46 o 7.312563 1.696633  0.4976250      0.2867255 0.3631535      0.3739533 0.6894558      0.4466437 -1.751859      3.393266  
1 1 1 16  9  47 o 30.02843 1.228625  9.311024       0.7044333 8.397935       1.153324  9.854353       0.8896648 -2.504030      2.457251  
1 1 1 16  10 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  10 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  10 2  o 83.23452 1.935845  0.000000       0.000000  ?              ?         69.31809       3.222582  ?              ?         
1 1 1 16  10 3  o 251.3569 3.730091  634.0766       18.74186  623.2675       26.00685  645.7553       27.03290  -4.432358      7.460182  
1 1 1 16  10 4  o 306.2651 4.535979  943.8765       27.78192  937.2808       38.98945  950.6794       39.59672  -2.157227      9.071959  
1 1 1 16  10 5  o 83.98330 1.378628  70.24854       2.307820  66.83662       3.112556  74.41455       3.439360  -4.506485      2.757257  
1 1 1 16  10 6  o 287.0158 4.255136  828.7012       24.42558  830.5438       34.63490  826.8782       34.45182  0.6294556      8.510273  
1 1 1 16  10 7  o 84.27587 1.386040  69.60196       2.301269  63.12047       2.960654  79.49493       3.657744  -9.702896      2.772080  
1 1 1 16  10 8  o 244.3588 3.631574  599.7687       17.74072  609.6815       25.53464  590.5186       24.66622  3.879272       7.263148  
1 1 1 16  10 9  o 89.81966 1.455485  80.37313       2.606282  85.28511       3.879062  76.33099       3.518883  4.976891       2.910971  
1 1 1 16  10 10 o 187.4982 2.808020  352.7611       10.52950  354.7737       14.97696  350.7941       14.80642  1.053757       5.616040  
1 1 1 16  10 11 o 54.78765 1.076134  29.74943       1.173372  33.11549       1.768227  27.10094       1.568470  5.485451       2.152268  
1 1 1 16  10 12 o 103.6705 1.637097  107.5383       3.392182  105.4775       4.697305  109.7843       4.903901  -2.071175      3.274194  
1 1 1 16  10 13 o 153.4332 1.630872  235.7612       5.004317  234.4440       7.032817  237.1121       7.122380  -0.8664856     3.261744  
1 1 1 16  10 14 o 143.7502 1.532980  206.5862       4.400861  200.6615       6.031138  213.3333       6.436094  -4.393692      3.065961  
1 1 1 16  10 15 o 124.6969 1.342792  155.5918       3.347139  152.9006       4.645683  158.4967       4.826640  -2.237976      2.685583  
1 1 1 16  10 16 o 90.33052 1.463052  81.64720       2.641106  83.79126       3.827633  79.69867       3.648947  2.258141       2.926105  
1 1 1 16  10 17 o 128.6494 1.980470  166.0667       5.095424  167.2847       7.254024  164.8804       7.158954  0.9285583      3.960939  
1 1 1 16  10 18 o 193.0897 2.496520  377.0048       9.157763  381.4586       11.34216  368.6637       15.52184  3.657990       4.993040  
1 1 1 16  10 19 o 69.33787 0.8238794 48.06455       1.141842  49.41277       1.649981  46.82547       1.581794  1.863708       1.647759  
1 1 1 16  10 20 o 44.85725 0.6400500 20.03501       0.5728344 21.71231       0.8452680 18.61039       0.7790033 3.455772       1.280100  
1 1 1 16  10 21 o 62.89986 0.7708533 39.15679       0.9622277 36.28907       1.268518  43.04283       1.476668  -5.361420      1.541707  
1 1 1 16  10 22 o 89.97068 1.256630  81.58914       2.133485  82.56415       2.623305  79.68439       3.666596  1.661438       2.513261  
1 1 1 16  10 23 o 91.82252 1.031124  83.91100       1.884378  79.38562       2.519297  89.65820       2.839100  -5.576828      2.062247  
1 1 1 16  10 24 o 43.61303 0.6441296 19.02809       0.5617473 19.54064       0.8010437 18.53213       0.7879788 1.155758       1.288259  
1 1 1 16  10 25 o 47.94929 0.6713082 22.98590       0.6432986 22.46154       0.8893245 23.56140       0.9316757 -1.145260      1.342616  
1 1 1 16  10 26 o 126.9047 1.374930  161.6088       3.489619  161.0299       4.915012  162.1972       4.955369  -0.4562988     2.749860  
1 1 1 16  10 27 o 11.52154 0.9731998 1.352941       0.2195185 1.471584       0.2906643 1.195430       0.3349077 1.201407       1.946400  
1 1 1 16  10 28 o 49.71790 0.6971943 24.59662       0.6905059 23.17613       0.9274629 26.36319       1.034294  -3.199596      1.394389  
1 1 1 16  10 29 o 45.00179 0.6709675 20.27186       0.6037778 20.21526       0.8450436 20.33089       0.8629802 -0.1274757     1.341935  
1 1 1 16  10 30 o 86.14857 0.9907247 74.23981       1.704126  71.76455       2.329911  77.08728       2.498955  -3.074135      1.981449  
1 1 1 16  10 31 o 59.12073 0.9063855 35.08928       1.025656  35.22254       1.278455  34.84863       1.718095  0.3563919      1.812771  
1 1 1 16  10 32 o 49.30379 0.9185857 24.20980       0.9013119 22.85576       1.204361  25.93356       1.358876  -3.106174      1.837171  
1 1 1 16  10 33 o 17.56342 0.8332788 3.110337       0.2906231 2.715643       0.4144918 3.492017       0.4076011 -2.210855      1.666558  
1 1 1 16  10 34 o 36.66499 0.6479939 13.36327       0.4734080 12.15229       0.6385608 14.84110       0.7054214 -3.661320      1.295988  
1 1 1 16  10 35 o 22.86841 1.082205  5.403473       0.4160897 4.973577       0.8497595 5.539052       0.4772131 -1.287645      2.164409  
1 1 1 16  10 36 o 8.618120 1.827211  0.6668046      0.3231465 0.4903641      0.3874619 1.069940       0.5856736 -2.988755      3.654423  
1 1 1 16  10 37 o 41.35569 0.6803784 17.10402       0.5620833 18.30537       0.8131123 16.00456       0.7778699 2.778229       1.360757  
1 1 1 16  10 38 o 70.29276 0.8654281 49.56684       1.216539  49.00503       1.705410  50.14891       1.735887  -0.8095093     1.730856  
1 1 1 16  10 39 o 38.83550 0.6847631 14.93393       0.5285051 17.35239       0.7969593 13.03549       0.7061000 5.547054       1.369526  
1 1 1 16  10 40 o 39.62412 0.6868858 15.73329       0.5442656 16.07096       0.7770767 15.40814       0.7625448 0.8346138      1.373772  
1 1 1 16  10 41 o 32.39915 0.6880817 10.47749       0.4439951 11.92882       0.6497781 9.206369       0.6081000 4.195997       1.376163  
1 1 1 16  10 42 o 49.14965 0.7306652 24.22413       0.7181528 23.81700       1.006501  24.64637       1.024994  -0.8410110     1.461330  
1 1 1 16  10 43 o 27.56829 0.7310213 7.560036       0.4013188 6.830016       0.5393718 8.465394       0.6006637 -2.956034      1.462043  
1 1 1 16  10 44 o 14.85831 1.043009  2.264189       0.3037400 2.677219       0.4197496 1.810185       0.4400775 2.922336       2.086018  
1 1 1 16  10 45 o 32.20008 0.7311903 10.40315       0.4708043 10.20042       0.6584696 10.61518       0.6734176 -0.6413631     1.462381  
1 1 1 16  10 46 o 23.88017 0.8366604 5.738241       0.3946175 6.972762       0.5708891 4.608670       0.5460838 4.944897       1.673321  
1 1 1 16  11 0  o 93.09837 1.497023  86.70162       2.786724  85.39632       3.888906  88.07932       3.995294  -1.439217      2.994045  
1 1 1 16  11 1  o 195.4536 4.126972  383.0363       16.13263  383.0363       16.13263  ?              ?         ?              ?         
1 1 1 16  11 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  11 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  11 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  11 5  o 145.1444 3.128726  0.000000       0.000000  ?              ?         211.0355       9.082341  ?              ?         
1 1 1 16  11 6  o 141.3420 2.153065  199.3943       6.067770  191.3266       8.205541  209.1290       9.013501  -6.274185      4.306129  
1 1 1 16  11 7  o 225.8474 3.364541  512.4496       15.19738  511.5669       21.45289  513.3389       21.53201  -0.3884277     6.729081  
1 1 1 16  11 8  o 62.00641 1.142997  38.44965       1.417073  39.39305       2.032924  37.55801       1.976361  1.478718       2.285994  
1 1 1 16  11 9  o 273.9528 4.073011  756.1965       22.31608  757.7995       31.63518  754.6087       31.48475  0.5724487      8.146022  
1 1 1 16  11 10 f 75.85099 1.291477  57.31489       1.952129  54.64827       2.629520  60.58918       2.913764  -3.909866      2.582954  
1 1 1 16  11 11 o 112.7370 1.761201  127.3033       3.970871  128.0703       5.648294  126.5539       5.583584  0.6703262      3.522403  
1 1 1 16  11 12 o 91.37039 1.481521  83.51225       2.705070  81.64646       3.734845  85.57098       3.923196  -2.141571      2.963041  
1 1 1 16  11 13 o 146.0573 2.224493  212.7281       6.466172  201.8067       8.645365  226.5945       9.741559  -8.429031      4.448987  
1 1 1 16  11 14 o 172.7395 2.604585  299.7858       8.996689  296.6797       12.58170  303.0357       12.86966  -1.820633      5.209170  
1 1 1 16  11 15 o 43.57096 0.8468149 19.42840       0.6614687 20.00691       0.7848446 18.00987       1.228985  2.302189       1.693630  
1 1 1 16  11 16 o 95.25542 1.057813  90.82577       2.015194  90.50780       2.837631  91.14929       2.862360  -0.3358841     2.115627  
1 1 1 16  11 17 o 69.48320 0.8224410 48.14371       1.140364  50.75277       1.682847  45.92837       1.550684  3.467949       1.644882  
1 1 1 16  11 18 o 38.85532 0.6015466 15.09630       0.4673413 15.58041       0.6683283 14.63308       0.6537534 1.218719       1.203093  
1 1 1 16  11 19 o 38.08280 0.5970234 14.48691       0.4543384 13.97058       0.6269231 15.05807       0.6593670 -1.426975      1.194047  
1 1 1 16  11 20 o 91.47202 1.025949  83.76283       1.876507  82.82915       2.621405  84.74410       2.687387  -1.043686      2.051897  
1 1 1 16  11 21 o 24.45252 0.5859891 5.877975       0.2840248 5.168544       0.3731618 6.854935       0.4379053 -3.446491      1.171978  
1 1 1 16  11 22 o 72.04152 0.8507161 51.70840       1.221416  49.19975       1.645805  54.78410       1.822340  -3.868073      1.701432  
1 1 1 16  11 23 o 70.31250 0.8382105 49.49177       1.178731  49.55742       1.665888  49.42594       1.668068  0.9358978E-01  1.676421  
1 1 1 16  11 24 o 77.37623 0.9018778 59.83197       1.393846  62.18026       2.035842  57.75996       1.912340  2.849991       1.803756  
1 1 1 16  11 25 o 80.86295 0.9350849 65.39281       1.510484  63.54664       2.076048  67.46940       2.201788  -2.417923      1.870170  
1 1 1 16  11 26 o 101.5382 1.129124  103.1922       2.290069  106.5717       3.341882  100.2002       3.144424  3.121796       2.258247  
1 1 1 16  11 27 o 56.09841 0.9730455 31.11952       1.081491  28.70500       1.416676  34.49216       1.674328  -5.139679      1.946091  
1 1 1 16  11 28 o 37.08916 0.6377571 13.77348       0.4727417 14.41492       0.6701261 13.13801       0.6670002 1.721245       1.275514  
1 1 1 16  11 29 o 68.95813 0.8409806 47.21147       1.152368  44.11837       1.528054  51.29039       1.754750  -5.183342      1.681961  
1 1 1 16  11 30 o 15.86059 0.7996918 2.555016       0.2500192 2.817011       0.3382990 2.239685       0.3711395 1.822599       1.599384  
1 1 1 16  11 31 o 35.23751 0.6451875 12.42518       0.4540446 12.30574       0.6242428 12.55934       0.6616179 -0.3573036     1.290375  
1 1 1 16  11 32 o 51.02645 0.7100821 26.02006       0.7236439 27.17276       1.058226  25.00759       0.9917768 2.116283       1.420164  
1 1 1 16  11 33 o 36.61456 1.022543  13.71883       0.7151186 12.51586       1.175114  14.42635       0.9012052 -2.642490      2.045087  
1 1 1 16  11 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  11 35 o 30.26501 0.6659963 9.119443       0.4018455 8.268156       0.5454583 10.12988       0.5942640 -3.071270      1.331993  
1 1 1 16  11 36 o 43.25343 0.6853996 18.67162       0.5916824 19.92954       0.8715663 17.59631       0.8058255 2.690605       1.370799  
1 1 1 16  11 37 f 36.75308 0.6628847 13.51300       0.4868852 12.87472       0.6742991 14.20828       0.7037652 -1.811249      1.325769  
1 1 1 16  11 38 f 36.34671 0.6767529 13.15308       0.4902811 14.65493       0.7264923 11.89704       0.6643871 3.786682       1.353506  
1 1 1 16  11 39 o 48.07309 0.7195547 23.16995       0.6918043 23.16297       0.9820252 23.17684       0.9747335 -0.1534653E-01 1.439109  
1 1 1 16  11 40 o 58.60781 0.7857707 34.19744       0.9167507 37.15736       1.380448  31.86211       1.226181  4.495300       1.571541  
1 1 1 16  11 41 o 41.85317 0.6978089 17.48218       0.5826887 16.33381       0.7915577 18.84055       0.8608946 -2.985069      1.395618  
1 1 1 16  11 42 f 29.68355 0.7062247 8.812033       0.4186451 8.260046       0.5749089 9.435154       0.6108299 -1.973942      1.412449  
1 1 1 16  11 43 o 44.68662 0.7250372 20.02725       0.6478624 20.56140       0.9255650 19.51416       0.9071443 1.168816       1.450074  
1 1 1 16  11 44 o 29.30562 0.7200336 8.631450       0.4212952 9.114609       0.5916719 8.134562       0.6000185 1.673515       1.440067  
1 1 1 16  11 45 o 45.45310 1.077746  20.12989       0.9170860 22.81450       1.655422  18.94114       1.101573  4.111530       2.155491  
1 1 1 16  11 46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  12 0  o 262.8961 3.902654  693.1689       20.48117  718.2552       30.08856  671.5093       27.95814  8.791718       7.805307  
1 1 1 16  12 1  o 161.2265 2.434960  260.2988       7.847506  265.6201       11.32076  255.3767       10.88799  3.163834       4.869920  
1 1 1 16  12 2  f 66.02254 1.175112  43.26820       1.544217  47.10780       2.327684  40.24992       2.063764  5.189640       2.350224  
1 1 1 16  12 3  o 189.3842 2.836708  359.7497       10.74433  361.1313       15.25461  358.3896       15.13564  0.7193298      5.673417  
1 1 1 16  12 4  o 96.57948 2.185075  93.36591       4.220668  93.36591       4.220668  ?              ?         ?              ?         
1 1 1 16  12 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  12 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  12 7  o 88.10846 2.934477  0.000000       0.000000  ?              ?         77.78555       5.171044  ?              ?         
1 1 1 16  12 8  o 137.0064 2.099344  188.1024       5.752164  187.1229       8.085324  189.1062       8.185170  -0.7201843     4.198687  
1 1 1 16  12 9  o 139.6146 2.132100  195.1252       5.946667  200.9744       8.662184  189.9112       8.178370  3.942245       4.264199  
1 1 1 16  12 10 o 133.5853 2.050842  178.7273       5.474840  183.0683       7.936057  174.7852       7.562622  3.083939       4.101684  
1 1 1 16  12 11 o 174.8320 2.634341  306.3766       9.195015  317.5764       13.49424  296.6691       12.56306  5.923233       5.268682  
1 1 1 16  12 12 o 98.37224 1.576290  96.59566       3.092447  92.67052       4.187746  101.3031       4.586114  -4.372238      3.152580  
1 1 1 16  12 13 o 114.5029 1.791832  131.4284       4.103206  130.6442       5.769023  132.2312       5.837196  -0.6896133     3.583664  
1 1 1 16  12 14 o 83.69368 1.395570  69.03714       2.308645  63.26466       2.999747  77.42348       3.615675  -8.432243      2.791140  
1 1 1 16  12 15 f 103.5480 1.138607  107.3290       2.357595  106.1817       3.297144  108.5293       3.372416  -1.130737      2.277215  
1 1 1 16  12 16 o 72.70974 0.8518667 52.89910       1.238675  52.50787       1.738232  53.30274       1.765591  -0.5458069     1.703733  
1 1 1 16  12 17 o 102.7221 1.131073  105.5048       2.320910  108.8013       3.384039  102.5770       3.189150  3.021133       2.262145  
1 1 1 16  12 18 o 59.00360 0.7399610 34.30448       0.8641186 31.35705       1.127393  38.50203       1.345405  -6.047630      1.479922  
1 1 1 16  12 19 o 83.84966 0.9554607 70.38004       1.602115  69.74343       2.245180  71.04049       2.286859  -0.7716293     1.910921  
1 1 1 16  12 20 f 109.6521 1.200842  120.3755       2.631833  123.0824       3.804401  117.8911       3.644683  2.357864       2.401684  
1 1 1 16  12 21 o 43.13670 0.6334371 18.59551       0.5459838 18.10779       0.7528040 19.13676       0.7930418 -1.191372      1.266874  
1 1 1 16  12 22 o 88.08696 0.9972468 77.67378       1.756220  76.40788       2.443326  79.02689       2.526081  -1.482124      1.994494  
1 1 1 16  12 23 o 37.31096 0.8394749 14.11295       0.5632917 13.53302       1.050598  14.34692       0.6673166 -1.108730      1.678950  
1 1 1 16  12 24 o 20.80089 0.6222135 4.341331       0.2581572 4.618016       0.3607751 4.051003       0.3695622 1.363312       1.244427  
1 1 1 16  12 25 o 23.20122 0.7123321 5.285347       0.3272819 4.628965       0.4283949 6.205494       0.5072181 -3.393566      1.424664  
1 1 1 16  12 26 o 58.04378 0.7476963 33.71466       0.8677089 33.15670       1.208806  34.30777       1.246304  -0.9894981     1.495393  
1 1 1 16  12 27 o 10.57005 1.014060  1.105790       0.2130114 0.9834274      0.2831638 1.265296       0.3232969 -1.329998      2.028120  
1 1 1 16  12 28 o 51.42204 0.7091686 26.23605       0.7249324 24.41420       0.9628474 28.62038       1.101504  -4.081177      1.418337  
1 1 1 16  12 29 o 48.80496 0.6969905 23.82917       0.6800001 24.80113       0.9783360 22.92075       0.9458190 1.924175       1.393981  
1 1 1 16  12 30 o 18.46798 0.7749841 3.494121       0.2749589 4.662879       0.3921096 2.363428       0.3856716 6.225004       1.549968  
1 1 1 16  12 31 o 16.30808 0.8137606 2.668699       0.2646593 2.717402       0.3627800 2.613286       0.3869586 0.3214092      1.627521  
1 1 1 16  12 32 o 11.26758 2.142418  1.252836       0.5373293 0.5023540      0.7356722 2.111011       0.7866871 -5.828761      4.284836  
1 1 1 16  12 33 o 23.96509 0.7492982 5.641200       0.3508907 5.257589       0.4445185 6.275418       0.5715627 -2.111130      1.498596  
1 1 1 16  12 34 o 52.09343 0.8588611 26.53967       0.8441482 25.27559       1.023650  29.22634       1.492350  -3.737526      1.717722  
1 1 1 16  12 35 o 50.65448 0.9402092 25.71296       0.9518091 26.93965       1.376584  24.58935       1.317483  2.311928       1.880418  
1 1 1 16  12 36 o 38.70220 0.7520611 15.03849       0.5706105 14.88977       0.8986428 15.13895       0.7386185 -0.3396683     1.504122  
1 1 1 16  12 37 o 16.19744 0.8655939 2.600455       0.2785234 2.246917       0.3724056 3.049245       0.4195845 -2.469927      1.731188  
1 1 1 16  12 38 o 67.32552 0.8475549 45.43980       1.140363  46.71023       1.652623  44.28507       1.575568  1.789566       1.695110  
1 1 1 16  12 39 o 26.07153 0.7029583 6.739291       0.3644755 5.942531       0.4878647 7.745699       0.5483058 -3.450491      1.405917  
1 1 1 16  12 40 f 67.29276 0.8527903 45.46168       1.147610  45.69122       1.636623  45.23965       1.609645  0.3310318      1.705581  
1 1 1 16  12 41 o 44.05709 0.7152864 19.36827       0.6286505 17.93782       0.8539744 21.06047       0.9288273 -3.532890      1.430573  
1 1 1 16  12 42 o 44.64687 0.7174643 19.96552       0.6401297 19.05062       0.8852372 20.96824       0.9267492 -2.140923      1.434929  
1 1 1 16  12 43 o 27.08233 0.7435921 7.337230       0.4019898 6.993747       0.5480894 7.737109       0.5913739 -1.365059      1.487184  
1 1 1 16  12 44 o 53.65022 1.206151  28.76717       1.282506  31.34481       1.979366  26.90196       1.683757  4.051231       2.412303  
1 1 1 16  12 45 f 33.87400 0.8723085 11.60125       0.5828477 11.97237       0.7705671 11.10502       0.8910366 1.305798       1.744617  
1 1 1 16  13 0  o 159.7994 2.416809  255.9621       7.723961  255.4825       10.88730  256.4480       10.95972  -0.2995911     4.833618  
1 1 1 16  13 1  o 73.12731 1.259318  52.95286       1.829524  58.32278       2.791262  48.90830       2.422436  6.430084       2.518636  
1 1 1 16  13 2  o 57.54120 1.095453  32.74088       1.251378  30.09783       1.651709  36.30215       1.917268  -5.386684      2.190905  
1 1 1 16  13 3  o 92.10417 1.494944  84.82049       2.751127  82.86021       3.791854  86.99933       3.997663  -2.242081      2.989889  
1 1 1 16  13 4  o 228.5000 3.407456  524.4215       15.55924  513.3560       21.48923  536.6147       22.55780  -5.030029      6.814912  
1 1 1 16  13 5  o 122.3874 1.895828  150.0369       4.640234  149.2908       6.520731  150.8023       6.604636  -0.6147919     3.791656  
1 1 1 16  13 6  o 90.72726 1.479955  82.11749       2.677734  78.81622       3.625579  86.07944       3.971838  -3.993393      2.959910  
1 1 1 16  13 7  o 206.4219 4.373491  428.4179       18.05569  428.4179       18.05569  ?              ?         ?              ?         
1 1 1 16  13 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  13 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  13 10 o 173.7584 3.709756  0.000000       0.000000  ?              ?         303.3719       12.89202  ?              ?         
1 1 1 16  13 11 o 63.27221 1.165084  39.95279       1.471699  42.12451       2.162093  38.07786       2.008929  3.192940       2.330168  
1 1 1 16  13 12 o 167.1143 2.529410  280.6353       8.449876  285.8017       12.18048  275.8423       11.73199  2.945541       5.058820  
1 1 1 16  13 13 o 48.81895 1.052330  23.66524       1.022452  21.98868       1.365857  25.80225       1.542055  -3.899761      2.104660  
1 1 1 16  13 14 o 37.34992 1.015302  13.96876       0.7581456 14.19734       1.063530  13.73258       1.081045  0.6227684      2.030604  
1 1 1 16  13 15 o 99.04675 1.596435  98.33318       3.161783  97.04214       4.417336  99.68948       4.527574  -1.329987      3.192870  
1 1 1 16  13 16 o 44.14665 0.6255685 19.48303       0.5521123 20.07256       0.7944629 18.93237       0.7678276 1.290665       1.251137  
1 1 1 16  13 17 o 94.97983 1.058653  89.86806       2.003021  95.44932       2.998617  85.37122       2.691588  5.290810       2.117307  
1 1 1 16  13 18 o 76.38876 0.8886755 58.25298       1.355162  60.95636       1.992047  55.92411       1.848923  3.287918       1.777351  
1 1 1 16  13 19 o 133.8622 1.440719  179.6060       3.855301  182.9956       5.556871  176.4602       5.353267  2.426559       2.881438  
1 1 1 16  13 20 o 54.90754 0.7124883 29.61810       0.7732177 26.75471       1.003934  33.79332       1.212287  -6.401642      1.424977  
1 1 1 16  13 21 o 79.36391 0.9191698 63.00083       1.457719  61.52211       2.011840  64.63524       2.115086  -1.956093      1.838340  
1 1 1 16  13 22 o 144.2025 1.547334  208.5285       4.458199  203.5192       6.143560  214.1008       6.479537  -3.638275      3.094669  
1 1 1 16  13 23 o 93.89967 1.138434  88.56178       2.125391  90.08428       2.868642  86.70892       3.164621  1.819923       2.276868  
1 1 1 16  13 24 o 90.34576 1.358321  81.61013       2.382155  80.64474       3.016174  83.21069       3.883699  -1.337952      2.716642  
1 1 1 16  13 25 o 54.16318 0.7218028 29.36486       0.7818362 29.90328       1.112120  28.83874       1.099357  0.9820404      1.443606  
1 1 1 16  13 26 o 15.04428 0.7408196 2.254603       0.2212356 2.176725       0.2932412 2.357497       0.3370652 -0.5981197     1.481639  
1 1 1 16  13 27 o 28.02309 0.6205449 7.775447       0.3457361 7.082895       0.4595509 8.678664       0.5248117 -2.843647      1.241090  
1 1 1 16  13 28 f 68.42146 0.8372395 46.90514       1.145626  46.74229       1.609677  47.07231       1.630850  -0.2394028     1.674479  
1 1 1 16  13 29 o 51.73478 0.7242701 26.61610       0.7465855 29.13989       1.115855  24.57066       1.004557  4.407543       1.448540  
1 1 1 16  13 30 f 8.160777 2.244655  0.4089780      0.5321067 0.5981141      0.7415175 0.2081931      0.7640115 1.036850       4.489310  
1 1 1 16  13 31 o 12.12599 1.739188  1.399546       0.2934217 1.356760       0.3147648 1.683335       0.8106456 -0.9921350     3.478376  
1 1 1 16  13 32 o 57.13034 0.7638345 32.66942       0.8721594 33.76602       1.262459  31.66822       1.206297  1.830406       1.527669  
1 1 1 16  13 33 o 11.91267 1.034557  1.398594       0.2441440 1.226293       0.3200139 1.638536       0.3776416 -1.722166      2.069115  
1 1 1 16  13 34 o 24.43959 0.6853783 5.980851       0.3344832 6.454918       0.4794550 5.531366       0.4668578 1.888229       1.370757  
1 1 1 16  13 35 o 35.87073 0.6651733 12.86519       0.4766789 13.70550       0.6907113 12.10102       0.6586804 2.233341       1.330347  
1 1 1 16  13 36 o 30.09876 0.8032960 9.098218       0.4829237 9.458400       0.6754606 8.721592       0.6907089 1.225979       1.606592  
1 1 1 16  13 37 f 48.19355 0.8577738 22.83357       0.8070788 25.45572       1.318467  21.26224       1.020645  4.305710       1.715548  
1 1 1 16  13 38 o 45.96432 0.7143803 21.04042       0.6545092 19.33447       0.8837638 23.11270       0.9740388 -4.098492      1.428761  
1 1 1 16  13 39 o 34.25435 0.6935876 11.74338       0.4747346 12.40363       0.6875219 11.14170       0.6563168 1.837852       1.387175  
1 1 1 16  13 40 o 33.28092 0.6924098 11.05002       0.4597102 10.21058       0.6249531 12.03981       0.6786139 -2.740700      1.384820  
1 1 1 16  13 41 f 39.19680 0.7012042 15.41152       0.5496709 15.42648       0.7815007 15.39688       0.7732689 0.3645706E-01  1.402408  
1 1 1 16  13 42 o 12.39068 1.988068  1.494861       0.3963883 1.779866       0.9342040 1.432283       0.4377471 0.9729776      3.976135  
1 1 1 16  13 43 o 39.37477 0.7961518 15.74370       0.6183183 16.87976       0.8283962 14.31460       0.9291132 3.276691       1.592304  
1 1 1 16  13 44 f 18.58362 0.9030536 3.495809       0.3325975 4.015450       0.4688849 2.969558       0.4718570 2.814669       1.806107  
1 1 1 16  13 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  14 0  o 104.5572 1.655149  109.1006       3.452092  104.7737       4.682366  114.2531       5.109550  -4.521408      3.310299  
1 1 1 16  14 1  o 120.8229 1.874497  146.1681       4.528297  148.5948       6.500971  143.8811       6.311203  1.944626       3.748995  
1 1 1 16  14 2  o 114.0931 1.783812  130.2255       4.066822  133.9332       5.903527  126.8768       5.610373  3.083099       3.567624  
1 1 1 16  14 3  o 89.20564 1.461987  79.30199       2.600355  84.23344       3.866544  75.22963       3.513649  5.036858       2.923974  
1 1 1 16  14 4  o 57.51559 1.106477  32.99601       1.269894  31.59235       1.726466  34.65060       1.874451  -2.655289      2.212955  
1 1 1 16  14 5  o 101.2465 1.617038  102.5486       3.271115  100.0559       4.506725  105.3239       4.755396  -2.592842      3.234076  
1 1 1 16  14 6  o 130.5363 2.011506  170.8401       5.251479  171.1456       7.435588  170.5360       7.417870  0.2326660      4.023011  
1 1 1 16  14 7  o 121.9401 1.893674  149.0323       4.617692  147.7544       6.468265  150.3604       6.594368  -1.062836      3.787349  
1 1 1 16  14 8  o 108.0015 1.708044  116.8058       3.687567  119.4709       5.318852  114.3392       5.117016  2.366882       3.416088  
1 1 1 16  14 9  o 36.71552 1.433186  13.49132       1.052404  13.49132       1.052404  ?              ?         ?              ?         
1 1 1 16  14 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  14 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  14 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  14 13 o 71.52202 1.787649  0.000000       0.000000  ?              ?         51.23742       2.557125  ?              ?         
1 1 1 16  14 14 o 124.4968 1.935175  155.4939       4.814368  159.6225       6.984504  151.7566       6.645248  3.132278       3.870350  
1 1 1 16  14 15 o 69.12972 1.232148  47.87764       1.703513  48.34101       2.418644  47.42148       2.399731  0.6640472      2.464295  
1 1 1 16  14 16 o 89.67278 1.474974  80.46230       2.641451  83.81667       3.864925  77.52221       3.618400  3.493027       2.949949  
1 1 1 16  14 17 o 15.20255 0.5574618 2.287263       0.1684386 1.977172       0.2261853 2.673330       0.2523775 -2.288904      1.114924  
1 1 1 16  14 18 o 71.23907 0.8443887 50.57285       1.199478  53.71429       1.782364  47.97242       1.621641  4.023010       1.688777  
1 1 1 16  14 19 o 137.8146 1.482515  190.3764       4.082902  186.1612       5.638905  195.0216       5.919503  -3.192154      2.965029  
1 1 1 16  14 20 o 61.73422 0.7706870 38.14772       0.9515404 38.30011       1.343797  37.99447       1.347573  0.2477036      1.541374  
1 1 1 16  14 21 o 93.01047 1.208812  86.57458       2.245589  83.91157       3.080167  89.59581       3.280805  -3.040718      2.417625  
1 1 1 16  14 22 o 28.36047 0.5902681 8.033661       0.3341570 7.822630       0.4562100 8.277927       0.4908251 -0.8012791     1.180536  
1 1 1 16  14 23 o 57.90064 0.7463359 33.54421       0.8640165 34.30680       1.240236  32.82510       1.204361  1.277645       1.492672  
1 1 1 16  14 24 o 28.42727 0.5993240 8.048923       0.3397366 7.606853       0.4593693 8.582654       0.5047511 -1.714228      1.198648  
1 1 1 16  14 25 o 39.08630 0.6349294 14.99032       0.4909452 13.27702       0.6395058 17.44924       0.7661253 -5.330467      1.269859  
1 1 1 16  14 26 o 49.61655 0.6973220 24.56843       0.6902788 23.57100       0.9373503 25.75025       1.020322  -2.190876      1.394644  
1 1 1 16  14 27 o 71.20892 0.9418113 50.77790       1.323490  51.18621       2.048968  50.48558       1.733685  0.4621429      1.883623  
1 1 1 16  14 28 o 33.53244 1.151273  11.22927       0.7699450 10.22555       1.048462  12.40415       1.134334  -3.238098      2.302547  
1 1 1 16  14 29 o 38.37999 0.7305693 14.80847       0.5460567 14.99482       0.6992905 14.51729       0.8741234 0.6362991      1.461139  
1 1 1 16  14 30 f 18.12918 0.7423149 3.252502       0.2674868 2.865884       0.3566718 3.749437       0.4043688 -2.432558      1.484630  
1 1 1 16  14 31 f 17.42897 0.7642028 3.011857       0.2649321 2.720792       0.3532996 3.385807       0.4004569 -1.903099      1.528406  
1 1 1 16  14 32 o 54.53609 0.7469444 29.36629       0.8074179 26.65976       1.058809  33.12723       1.248127  -5.910301      1.493889  
1 1 1 16  14 33 o 14.53081 0.8848232 2.132784       0.2550760 2.269234       0.3468652 1.972102       0.3764068 1.026119       1.769646  
1 1 1 16  14 34 o 63.79523 0.8229277 40.58504       1.046503  43.62136       1.559551  38.09798       1.411462  4.311085       1.645855  
1 1 1 16  14 35 o 43.25736 0.6859604 18.62173       0.5913692 20.50085       0.8811187 17.08146       0.7977299 3.943150       1.371921  
1 1 1 16  14 36 o 61.27654 0.8006434 37.51853       0.9784815 39.60725       1.451116  35.77702       1.325027  3.107643       1.601287  
1 1 1 16  14 37 o 5.968027 1.485838  0.2641791      0.2525136 0.5404390      0.3217006 -0.1792147     0.4075564 2.540028       2.971675  
1 1 1 16  14 38 o 25.11762 0.8468465 6.243062       0.4219806 5.640822       0.5553621 7.065704       0.6490788 -2.821383      1.693693  
1 1 1 16  14 39 o 27.29415 0.7313763 7.441203       0.3984161 8.035048       0.5857264 6.929842       0.5435280 2.018457       1.462753  
1 1 1 16  14 40 o 20.53006 0.8050252 4.227433       0.3301119 4.148005       0.4536474 4.316829       0.4812740 -0.4062214     1.610050  
1 1 1 16  14 41 o 21.18410 1.586416  4.582707       0.6661333 4.350565       0.9958292 4.770700       0.8961459 -1.026518      3.172831  
1 1 1 16  14 42 o 33.01866 0.7059786 10.93296       0.4658197 10.80212       0.6440837 11.07646       0.6745059 -0.4103355     1.411957  
1 1 1 16  14 43 o 32.24693 0.7684032 10.47291       0.4901581 10.66275       0.6503678 10.22328       0.7457587 0.6996098      1.536806  
1 1 1 16  14 44 o 18.44093 1.633082  0.000000       0.000000  ?              ?         3.433144       0.6023108 ?              ?         
1 1 1 16  15 0  o 118.1115 1.842730  139.7878       4.352952  139.7728       6.154546  139.8027       6.157461  -0.1255035E-01 3.685459  
1 1 1 16  15 1  o 168.1531 2.541254  283.6372       8.540218  290.1884       12.36325  277.6581       11.81105  3.695068       5.082508  
1 1 1 16  15 2  o 25.30014 1.178372  6.425464       0.5919948 7.394904       0.8445845 5.489171       0.8300197 3.765865       2.356745  
1 1 1 16  15 3  o 197.5287 2.965788  392.4477       11.71654  392.9267       16.58942  391.9710       16.55003  0.2391815      5.931575  
1 1 1 16  15 4  o 115.9200 1.814334  134.6279       4.204956  132.7379       5.857018  136.6381       6.040643  -1.674103      3.628667  
1 1 1 16  15 5  o 87.36525 1.441656  76.43255       2.518687  75.79173       3.528245  77.09846       3.596662  -0.7452850     2.883313  
1 1 1 16  15 6  o 67.74930 1.213814  45.80097       1.640810  43.86191       2.229262  48.09331       2.423844  -3.116226      2.427628  
1 1 1 16  15 7  o 27.46115 1.114632  7.483023       0.6086448 6.467197       0.8221859 8.714646       0.9053138 -4.089264      2.229264  
1 1 1 16  15 8  o 85.80046 1.425952  73.68944       2.445635  75.66313       3.530103  71.86784       3.391368  2.205345       2.851904  
1 1 1 16  15 9  o 78.09794 1.336570  61.09288       2.087615  61.57514       2.964575  60.61850       2.940243  0.6113739      2.673139  
1 1 1 16  15 10 o 78.02545 1.337827  60.97428       2.087322  60.41212       2.919547  61.56208       2.985391  -0.7338791     2.675654  
1 1 1 16  15 11 o 64.69138 1.195804  41.87774       1.546490  43.13369       2.227214  40.70845       2.149016  1.871014       2.391607  
1 1 1 16  15 12 o 67.23759 1.715990  45.28678       2.307580  45.28678       2.307580  ?              ?         ?              ?         
1 1 1 16  15 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  15 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  15 15 o 64.01331 1.700768  0.000000       0.000000  ?              ?         41.05707       2.177436  ?              ?         
1 1 1 16  15 16 o 46.71677 1.073435  21.85797       1.002798  21.71542       1.404192  22.00633       1.432574  -0.3098030     2.146870  
1 1 1 16  15 17 o 61.42886 0.7645106 37.64358       0.9371898 39.59902       1.382527  35.98103       1.274792  2.940464       1.529021  
1 1 1 16  15 18 o 145.8734 1.564466  213.0892       4.555116  205.9887       6.210488  221.3563       6.701287  -5.225098      3.128932  
1 1 1 16  15 19 o 36.95360 0.7241110 13.66789       0.5351470 13.70059       0.7538294 13.63467       0.7598305 0.8945465E-01  1.448222  
1 1 1 16  15 20 o 76.16901 0.8949069 57.96690       1.360888  55.92194       1.859051  60.32799       1.997581  -2.884094      1.789814  
1 1 1 16  15 21 o 71.78314 0.8578158 51.55618       1.230595  50.46152       1.700946  52.75841       1.782571  -1.594963      1.715632  
1 1 1 16  15 22 o 47.31011 0.6747289 22.28123       0.6366694 24.23043       0.9428388 20.64741       0.8631961 3.782887       1.349458  
1 1 1 16  15 23 o 56.63682 0.7383242 32.11344       0.8361923 31.93661       1.170746  32.29759       1.194727  -0.3172646     1.476648  
1 1 1 16  15 24 o 19.32385 0.6445022 3.668981       0.2467689 3.193765       0.3240767 4.324717       0.3806862 -2.923199      1.289004  
1 1 1 16  15 25 o 89.39027 1.501966  80.37090       2.685004  79.66946       3.767976  81.09452       3.827053  -0.7888489     3.003933  
1 1 1 16  15 26 o 87.83197 1.486578  77.63289       2.611241  78.32169       3.716479  76.96133       3.669671  0.7672501      2.973156  
1 1 1 16  15 27 f 58.10135 0.7607891 33.59652       0.8798691 31.69268       1.176915  36.00893       1.324821  -3.702484      1.521578  
1 1 1 16  15 28 o 70.15424 0.8563805 49.28780       1.200680  48.25024       1.660023  50.42608       1.738746  -1.543091      1.712761  
1 1 1 16  15 29 o 29.41304 0.6359760 8.611617       0.3728239 8.057655       0.5023301 9.290993       0.5562953 -2.092398      1.271952  
1 1 1 16  15 30 o 17.00637 0.7555912 2.881868       0.2555858 2.751855       0.3410017 3.048535       0.3860885 -0.8677959     1.511182  
1 1 1 16  15 31 f 36.90598 0.6532948 13.61714       0.4814266 13.21906       0.6587791 14.07342       0.7052770 -1.153347      1.306590  
1 1 1 16  15 32 o 16.39749 0.8140148 2.706222       0.2648045 2.784774       0.3557265 2.608592       0.3965751 0.5419598      1.628030  
1 1 1 16  15 33 o 76.00317 0.9208893 57.82637       1.397622  60.46135       2.047738  55.52848       1.912281  3.226822       1.841779  
1 1 1 16  15 34 o 30.96436 0.6801521 9.624533       0.4203584 10.26287       0.5919055 8.974977       0.5970814 2.080210       1.360304  
1 1 1 16  15 35 o 67.31633 0.8492644 45.36893       1.141314  47.20345       1.676176  43.78319       1.558378  2.522873       1.698529  
1 1 1 16  15 36 o 57.25231 0.7739947 32.86423       0.8858889 33.28348       1.274508  32.47234       1.232234  0.7025948      1.547989  
1 1 1 16  15 37 f 46.00641 0.7157088 21.15000       0.6573610 19.94479       0.8978816 22.54226       0.9650456 -2.813892      1.431418  
1 1 1 16  15 38 o 39.72934 0.7014410 15.74874       0.5559411 17.23748       0.8193585 14.47865       0.7568014 3.463280       1.402882  
1 1 1 16  15 39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  15 40 f 42.23178 0.8220227 17.95764       0.6921718 17.14664       1.004580  18.69065       0.9550541 -1.836975      1.644045  
1 1 1 16  15 41 o 21.26088 0.8028631 4.527892       0.3406498 4.372664       0.4638018 4.709713       0.5019608 -0.7854557     1.605726  
1 1 1 16  15 42 o 6.694858 1.711614  0.3857893      0.2939485 0.4435550      0.3805926 0.3003879      0.4627624 0.2994208      3.423229  
1 1 1 16  15 43 f 11.37429 1.416522  1.274474       0.3084047 0.9298362      0.3957506 1.807433       0.4921382 -3.980397      2.833044  
1 1 1 16  16 0  o 95.43610 1.543946  90.58161       2.931717  97.53194       4.427886  85.15643       3.912020  6.463104       3.087891  
1 1 1 16  16 1  o 45.08614 1.030632  20.31406       0.9284157 21.62826       1.339520  19.09910       1.287954  2.803379       2.061265  
1 1 1 16  16 2  o 65.67106 1.192057  42.97314       1.561487  45.98763       2.314019  40.45292       2.115820  4.207279       2.384115  
1 1 1 16  16 3  o 111.2333 1.753774  124.0065       3.900370  122.4265       5.436522  125.6822       5.598976  -1.454956      3.507547  
1 1 1 16  16 4  o 92.16835 1.509142  84.98560       2.778311  82.60561       3.814370  87.67523       4.054904  -2.738831      3.018284  
1 1 1 16  16 5  o 102.4988 1.640824  105.3030       3.363262  106.4830       4.801031  104.1660       4.712934  1.125565       3.281648  
1 1 1 16  16 6  f 33.68155 1.043665  11.36257       0.7012756 12.41838       1.000129  10.34139       0.9835854 3.082710       2.087329  
1 1 1 16  16 7  o 174.7721 2.646158  307.4568       9.247801  311.1185       13.23191  303.9604       12.93004  2.020401       5.292317  
1 1 1 16  16 8  o 91.85376 1.510308  84.52482       2.773337  83.19728       3.854591  85.94958       3.993267  -1.490623      3.020615  
1 1 1 16  16 9  o 160.7828 2.450042  260.2101       7.877493  257.8979       11.03544  262.6124       11.24853  -1.445435      4.900085  
1 1 1 16  16 10 o 62.68283 1.179159  39.35844       1.478238  39.61641       2.090742  39.10056       2.090345  0.4114571      2.358318  
1 1 1 16  16 11 o 52.21926 1.089253  27.29678       1.136952  26.95268       1.577431  27.66880       1.640190  -0.6826172     2.178507  
1 1 1 16  16 12 o 67.21814 1.227578  45.23742       1.649622  46.46816       2.375155  44.09048       2.292857  1.763969       2.455157  
1 1 1 16  16 13 o 52.40638 1.107964  27.50532       1.160995  28.38487       1.653071  26.64915       1.630941  1.654842       2.215927  
1 1 1 16  16 14 o 30.37177 1.139147  9.233335       0.6880534 9.164579       0.9235947 9.319079       1.031418  -0.2481079     2.278295  
1 1 1 16  16 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  16 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  16 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  16 18 o 19.76761 0.5462475 3.910536       0.2134722 4.738945       0.3096362 3.160084       0.2947074 3.993040       1.092495  
1 1 1 16  16 19 o 59.14579 0.7516762 35.01739       0.8890429 34.79897       1.245248  35.24448       1.269702  -0.3753281     1.503352  
1 1 1 16  16 20 o 68.91487 0.8315880 47.50683       1.145176  46.40992       1.580353  48.71965       1.661758  -1.671043      1.663176  
1 1 1 16  16 21 o 26.50248 0.5832775 6.889464       0.3059417 6.049362       0.3994175 8.082078       0.4758947 -3.831551      1.166555  
1 1 1 16  16 22 o 37.56619 0.6211345 14.06738       0.4656487 15.37228       0.6824056 12.93039       0.6369910 3.247784       1.242269  
1 1 1 16  16 23 o 68.28920 1.135096  47.05090       1.518479  45.41174       2.380093  48.17606       1.971940  -2.064568      2.270192  
1 1 1 16  16 24 f 80.60559 1.409171  65.28344       2.270599  63.98617       3.151079  66.68450       3.274711  -1.656799      2.818343  
1 1 1 16  16 25 o 27.21301 0.6182838 7.381120       0.3354611 7.021933       0.4532078 7.816394       0.4989051 -1.456762      1.236568  
1 1 1 16  16 26 o 34.53181 0.6257465 11.87189       0.4306995 11.15544       0.5805942 12.74863       0.6422665 -2.302673      1.251493  
1 1 1 16  16 27 o 27.63071 0.6345237 7.397547       0.3449320 6.141206       0.4438847 9.312554       0.5480268 -5.731140      1.269047  
1 1 1 16  16 28 o 32.52784 0.6324201 10.49353       0.4092914 9.592465       0.5460960 11.64841       0.6182466 -3.154615      1.264840  
1 1 1 16  16 29 o 51.80067 0.7249133 26.72923       0.7480624 25.21131       1.005024  28.61485       1.120156  -3.274143      1.449827  
1 1 1 16  16 30 o 30.40307 0.6489720 9.232980       0.3922074 10.73254       0.5709507 7.893095       0.5396979 4.666910       1.297944  
1 1 1 16  16 31 o 29.33968 0.6449927 8.624164       0.3782190 8.661217       0.5258700 8.584455       0.5443745 0.1325397      1.289985  
1 1 1 16  16 32 o 73.85304 0.9005195 54.52802       1.327142  57.68325       1.958746  51.85026       1.804458  3.928497       1.801039  
1 1 1 16  16 33 o 27.00795 0.6850230 7.288508       0.3690999 7.022611       0.5012456 7.603470       0.5455346 -1.070383      1.370046  
1 1 1 16  16 34 o 47.67387 0.7226936 22.75085       0.6885069 23.96602       0.9957598 21.63772       0.9530365 2.436481       1.445387  
1 1 1 16  16 35 o 49.45289 0.7400874 24.50089       0.7314543 23.97615       1.011444  25.07620       1.059063  -1.105968      1.480175  
1 1 1 16  16 36 o 56.42320 0.7729777 31.88529       0.8714985 30.70026       1.201931  33.19897       1.265495  -2.204979      1.545955  
1 1 1 16  16 37 o 28.01485 1.145218  7.585000       0.5023933 8.433176       1.183679  7.398633       0.5548493 1.708759       2.290437  
1 1 1 16  16 38 o 69.78674 1.119915  49.36216       1.456585  49.87048       1.770021  48.29578       2.563699  1.319618       2.239830  
1 1 1 16  16 39 o 25.70426 0.7401720 6.634029       0.3802584 6.822098       0.5335961 6.439964       0.5420363 0.7447052      1.480344  
1 1 1 16  16 40 o 18.90548 0.9653372 3.630945       0.3598190 3.841662       0.4791961 3.358563       0.5448186 1.292364       1.930674  
1 1 1 16  16 41 o 37.02068 0.8563028 13.77887       0.6332819 14.65728       0.9016945 12.92382       0.8896194 2.338593       1.712606  
1 1 1 16  16 42 o 32.48595 0.8514846 10.62651       0.5519541 11.39050       0.7776527 9.850900       0.7835426 2.370886       1.702969  
1 1 1 16  17 0  o 124.2880 1.931937  155.0036       4.802207  155.8550       6.821287  154.1670       6.761797  0.6752853      3.863873  
1 1 1 16  17 1  o 62.95024 1.178663  39.54478       1.480706  37.73318       2.014371  41.67427       2.183964  -3.123657      2.357326  
1 1 1 16  17 2  o 60.79103 1.151523  36.95477       1.399143  38.49868       2.021698  35.53561       1.938310  2.433846       2.303046  
1 1 1 16  17 3  o 145.4966 2.229147  212.3695       6.477727  206.5242       8.886032  218.9984       9.462939  -4.242599      4.458295  
1 1 1 16  17 4  o 72.58986 1.272187  52.26734       1.835800  57.41916       2.790029  48.33393       2.437884  6.241982       2.544374  
1 1 1 16  17 5  o 69.62553 1.243502  48.53446       1.730974  47.74764       2.409411  49.37374       2.488435  -1.164032      2.487004  
1 1 1 16  17 6  o 51.09239 1.086494  25.69777       1.100568  29.86414       1.695442  22.66369       1.446831  7.035469       2.172988  
1 1 1 16  17 7  o 37.17778 1.037941  13.81871       0.7709789 13.38636       1.061441  14.30155       1.121711  -1.228100      2.075882  
1 1 1 16  17 8  o 119.5046 1.876477  143.3458       4.482245  140.6087       6.210754  146.3210       6.475218  -2.367737      3.752954  
1 1 1 16  17 9  o 35.57181 1.077409  12.68638       0.7653369 13.47610       1.081305  11.89359       1.083397  2.224491       2.154819  
1 1 1 16  17 10 o 73.76476 1.304489  54.34988       1.919548  52.09246       2.604038  57.03622       2.840672  -3.336433      2.608979  
1 1 1 16  17 11 o 45.02496 1.068904  20.18002       0.9591263 22.67354       1.416112  18.06674       1.303673  5.109890       2.137807  
1 1 1 16  17 12 o 33.29201 1.098328  11.12304       0.7295247 11.99025       1.030018  10.25014       1.033397  2.613600       2.196656  
1 1 1 16  17 13 f 83.50908 1.424982  69.74908       2.374108  67.22914       3.224751  72.73135       3.508110  -3.272667      2.849965  
1 1 1 16  17 14 o 123.5011 3.939049  0.000000       0.000000  ?              ?         154.3746       9.729538  ?              ?         
1 1 1 16  17 15 o 28.01433 1.199569  7.841544       0.6689140 7.623046       0.8978219 8.114147       1.002841  -0.8691692     2.399138  
1 1 1 16  17 16 o 78.29996 1.369447  61.51869       2.144491  61.80547       3.026043  61.22934       3.039539  0.3690948      2.738894  
1 1 1 16  17 17 o 112.2864 2.538275  126.8842       5.700276  126.8842       5.700276  ?              ?         ?              ?         
1 1 1 16  17 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  17 19 o 49.04067 0.8500951 24.01776       0.8324028 25.28188       1.220969  22.91996       1.137815  2.402863       1.700190  
1 1 1 16  17 20 o 45.09643 0.9396722 0.000000       0.000000  ?              ?         20.35760       0.8475173 ?              ?         
1 1 1 16  17 21 o 91.34222 1.530215  83.88696       2.795038  85.22124       3.995611  82.60839       3.911300  1.419144       3.060429  
1 1 1 16  17 22 o 71.63518 1.109429  51.61754       1.460298  51.82627       1.750710  51.14023       2.647449  0.5698166      2.218858  
1 1 1 16  17 23 o 30.79676 0.6000615 9.502512       0.3692451 9.917265       0.5199492 9.080526       0.5244631 1.358763       1.200123  
1 1 1 16  17 24 o 61.04851 0.7816882 37.29680       0.9535035 36.47081       1.314599  38.21372       1.385074  -1.421665      1.563376  
1 1 1 16  17 25 o 32.31141 0.6217062 10.46317       0.4013612 10.78199       0.5611098 10.12913       0.5743423 1.011185       1.243412  
1 1 1 16  17 26 o 69.42831 1.309344  48.48492       1.817976  48.80731       2.561065  48.15748       2.581064  0.4711151      2.618687  
1 1 1 16  17 27 o 17.23240 0.7115565 2.936422       0.2436404 2.601709       0.3237915 3.373288       0.3699161 -2.234554      1.423113  
1 1 1 16  17 28 o 44.65094 0.6814054 19.76995       0.6047204 18.23433       0.8023257 21.78963       0.9201354 -3.970390      1.362811  
1 1 1 16  17 29 o 24.35532 0.6482642 5.919508       0.3146257 5.699580       0.4241433 6.188585       0.4691486 -0.9998665     1.296528  
1 1 1 16  17 30 o 20.10833 0.6943839 4.051991       0.2777702 4.056370       0.3741398 4.046614       0.4146253 0.2835083E-01  1.388768  
1 1 1 16  17 31 o 57.19216 0.7746173 32.79463       0.8859017 33.52995       1.254898  32.06408       1.250820  1.281055       1.549235  
1 1 1 16  17 32 o 48.77408 0.7244742 23.83802       0.7062185 23.58753       0.9784225 24.11045       1.020386  -0.5309715     1.448948  
1 1 1 16  17 33 o 24.15499 0.6827929 5.838975       0.3287443 5.740862       0.4452814 5.956525       0.4873972 -0.4413509     1.365586  
1 1 1 16  17 34 o 41.76081 0.6939052 17.46652       0.5791174 17.11034       0.8005036 17.85763       0.8388317 -0.8899765     1.387810  
1 1 1 16  17 35 o 39.05033 1.030960  14.89468       0.6822813 16.17774       1.435802  14.52046       0.7754232 1.995792       2.061921  
1 1 1 16  17 36 f 21.09478 1.265738  4.282811       0.4762133 4.051198       0.5523592 4.953442       0.9399014 -2.041660      2.531476  
1 1 1 16  17 37 o 58.40484 0.7939484 34.22379       0.9271018 33.33716       1.291374  35.16679       1.331800  -1.559235      1.587897  
1 1 1 16  17 38 o 18.98674 0.8338278 3.623083       0.3154598 3.650244       0.4289767 3.591098       0.4655147 0.1624775      1.667656  
1 1 1 16  17 39 o 17.64842 1.026485  3.233851       0.3510577 3.791566       0.4718213 2.542184       0.5254362 3.552195       2.052969  
1 1 1 16  17 40 o 31.08918 0.8442044 9.742393       0.5230255 10.62033       0.7363947 8.848667       0.7429888 2.850716       1.688409  
1 1 1 16  17 41 o 54.43273 0.9935880 29.83409       1.081306  29.85245       1.509949  29.81477       1.549203  0.4424667E-01  1.987176  
1 1 1 16  18 0  o 151.3331 2.314830  229.6375       6.987653  220.9824       9.477872  239.9443       10.34274  -6.187210      4.629660  
1 1 1 16  18 1  o 21.09385 1.233184  4.441935       0.5192630 4.209427       0.7082160 4.712235       0.7636058 -1.189062      2.466369  
1 1 1 16  18 2  o 83.38428 1.401709  69.49371       2.332522  66.84152       3.174586  72.60534       3.438575  -3.440453      2.803418  
1 1 1 16  18 3  f 92.49752 1.516188  85.75421       2.803599  84.30603       3.894994  87.31122       4.038686  -1.614914      3.032376  
1 1 1 16  18 4  o 22.74637 1.242818  5.182567       0.5652525 5.023214       0.7926023 5.347497       0.8063507 -0.7120571     2.485635  
1 1 1 16  18 5  o 55.97903 1.130425  31.38605       1.265448  31.27083       1.774408  31.50532       1.805218  -0.2078629     2.260850  
1 1 1 16  18 6  o 32.08174 1.059427  10.30478       0.6784012 10.26467       0.9295412 10.35050       0.9923434 -0.1306839     2.118854  
1 1 1 16  18 7  f 83.22314 1.408279  69.32697       2.340732  67.32271       3.209654  71.60392       3.421039  -2.557892      2.816559  
1 1 1 16  18 8  o 56.68246 1.136322  32.07577       1.284919  30.71127       1.743450  33.69813       1.901063  -2.625820      2.272644  
1 1 1 16  18 9  o 19.84123 1.436811  3.953147       0.5661060 3.987522       0.7585852 3.909941       0.8504578 0.2023201      2.873621  
1 1 1 16  18 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  18 11 o 12.82769 1.998806  1.733758       0.5172110 2.380414       0.7206110 1.046690       0.7427866 5.136708       3.997612  
1 1 1 16  18 12 o 29.52399 1.171091  8.757802       0.6885526 9.006698       0.9394809 8.468948       1.012089  0.9154987      2.342182  
1 1 1 16  18 13 f 18.72155 1.508572  3.508135       0.5624462 3.411830       0.7567576 3.626984       0.8406839 -0.5669842     3.017144  
1 1 1 16  18 14 o 25.97886 1.278805  6.855109       0.6560351 7.651330       0.8974643 5.941444       0.9613771 3.296263       2.557610  
1 1 1 16  18 15 o 73.23517 1.313331  53.81883       1.923451  53.91381       2.702573  53.72134       2.738115  0.1346741      2.626662  
1 1 1 16  18 16 o 115.3306 1.835426  133.5499       4.225417  139.3226       6.214311  128.5860       5.762516  4.596588       3.670853  
1 1 1 16  18 17 o 51.40597 1.137676  26.46523       1.167655  25.97096       1.598767  27.03028       1.709408  -1.020950      2.275352  
1 1 1 16  18 18 o 48.25132 1.134655  23.34966       1.094013  24.67796       1.558814  22.06031       1.535779  2.710388       2.269310  
1 1 1 16  18 19 o 31.96571 1.471652  10.75283       0.8662626 11.67554       1.065576  8.954564       1.487579  4.307024       2.943305  
1 1 1 16  18 20 o 97.54999 1.504372  95.24408       2.923458  100.8864       4.374485  90.69027       3.929939  5.164635       3.008744  
1 1 1 16  18 21 o 35.16941 0.7076061 12.37483       0.4974463 12.94998       0.7151006 11.83555       0.6924373 1.582764       1.415212  
1 1 1 16  18 22 o 15.43239 0.6643373 2.385154       0.2048583 2.395592       0.2840354 2.373839       0.2957460 0.7129383E-01  1.328675  
1 1 1 16  18 23 o 65.08364 0.8138953 42.13180       1.054023  39.51376       1.406811  45.48208       1.591431  -4.568729      1.627791  
1 1 1 16  18 24 o 80.02174 0.9428002 64.21248       1.508651  63.71524       2.111650  64.73089       2.156155  -0.6297226     1.885600  
1 1 1 16  18 25 o 82.82979 0.9699045 68.83334       1.606705  68.75902       2.264288  68.90871       2.280245  -0.8843994E-01 1.939809  
1 1 1 16  18 26 o 83.44931 1.065676  69.87186       1.757622  70.32953       2.704900  69.53741       2.312320  0.4195862      2.131351  
1 1 1 16  18 27 o 92.60960 1.064080  86.08779       1.969849  84.64970       2.733558  87.64128       2.841129  -1.599586      2.128160  
1 1 1 16  18 28 o 22.28276 0.6687288 5.006139       0.2944033 5.952945       0.4189959 4.082884       0.4137519 4.195715       1.337458  
1 1 1 16  18 29 o 61.36544 0.8012502 37.75893       0.9832806 37.88136       1.381991  37.63343       1.399309  0.2040329      1.602500  
1 1 1 16  18 30 o 37.31516 0.6684515 13.92966       0.4979334 15.18167       0.7186117 12.77338       0.6905923 3.224049       1.336903  
1 1 1 16  18 31 o 32.85996 0.6654544 10.82287       0.4372156 11.12166       0.6185678 10.52457       0.6180649 0.9084740      1.330909  
1 1 1 16  18 32 o 42.08059 0.6913081 17.72390       0.5812385 17.19064       0.8005891 18.31826       0.8452159 -1.334396      1.382616  
1 1 1 16  18 33 o 27.32898 1.142414  7.404041       0.4833323 7.700984       1.137630  7.338634       0.5339156 0.5452538      2.284828  
1 1 1 16  18 34 o 51.93600 1.116670  27.41367       1.098305  27.98049       1.359008  26.34636       1.864843  1.681065       2.233339  
1 1 1 16  18 35 o 52.24647 0.7573680 27.29292       0.7894126 26.14486       1.071418  28.65627       1.167565  -2.388763      1.514736  
1 1 1 16  18 36 o 11.24344 1.159886  1.242610       0.2574604 1.062827       0.3338911 1.506277       0.4043512 -1.953767      2.319772  
1 1 1 16  18 37 o 24.88774 0.7645558 6.208153       0.3802139 6.411650       0.5522996 6.024832       0.5242069 0.7723579      1.529112  
1 1 1 16  18 38 o 64.02384 1.095203  41.31184       1.402240  42.09659       1.997544  40.54943       1.968901  1.200851       2.190405  
1 1 1 16  18 39 o 38.46200 0.8440786 14.77886       0.6463785 13.98218       0.8658609 15.78171       0.9714600 -2.316936      1.688157  
1 1 1 16  18 40 o 41.11784 0.8678093 16.99945       0.7133705 17.57494       1.010202  16.42701       1.007520  1.395332       1.735619  
1 1 1 16  19 0  o 58.08105 1.150322  33.69562       1.333011  32.49055       1.811353  35.11928       1.968796  -2.254658      2.300644  
1 1 1 16  19 1  o 109.9918 1.751785  120.7126       3.834830  114.2686       5.127027  128.8958       5.777609  -6.596085      3.503570  
1 1 1 16  19 2  o 90.03623 1.496330  81.27900       2.693472  80.27563       3.749337  82.34904       3.871910  -1.142715      2.992661  
1 1 1 16  19 3  o 57.07551 1.145648  32.53897       1.305178  31.18528       1.778825  34.11763       1.920959  -2.560921      2.291296  
1 1 1 16  19 4  o 58.18087 1.157351  33.80793       1.344521  35.90708       1.970249  31.97841       1.839372  3.368679       2.314701  
1 1 1 16  19 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  19 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  19 7  o 49.94738 1.107101  24.99276       1.105612  24.93976       1.544214  25.04850       1.583676  -0.1065025     2.214203  
1 1 1 16  19 8  o 92.42543 1.533910  84.91866       2.814824  79.37597       3.719723  92.34557       4.305801  -6.966759      3.067820  
1 1 1 16  19 9  f 68.03993 1.259322  46.39257       1.713318  47.56799       2.451784  45.27079       2.395201  1.684082       2.518643  
1 1 1 16  19 10 o 56.88650 1.158762  32.43177       1.317878  33.63951       1.874473  31.25125       1.853230  2.097672       2.317525  
1 1 1 16  19 11 o 44.73072 1.111680  20.03197       0.9935365 21.33597       1.428780  18.81105       1.382508  2.819031       2.223360  
1 1 1 16  19 12 o 25.65627 1.253951  6.635818       0.6392358 7.458808       0.9001603 5.798575       0.9079216 3.236202       2.507902  
1 1 1 16  19 13 o 62.27590 1.213989  38.85436       1.511231  40.38450       2.178895  37.43597       2.097816  2.360405       2.427979  
1 1 1 16  19 14 o 69.60535 1.286542  48.59985       1.790464  48.20076       2.497352  49.02196       2.568336  -0.5833969     2.573084  
1 1 1 16  19 15 o 39.92042 1.121753  15.96109       0.8945352 15.61616       1.230016  16.34835       1.303290  -0.9107170     2.243507  
1 1 1 16  19 16 o 42.48514 1.138667  18.10397       0.9668996 18.09221       1.343225  18.11661       1.392935  -0.2404404E-01 2.277334  
1 1 1 16  19 17 o 24.59619 1.420949  6.204640       0.6711770 8.332458       0.9609972 4.178295       0.9378030 8.442003       2.841897  
1 1 1 16  19 18 f 74.29158 1.345732  55.42133       1.998891  56.75715       2.871490  54.16544       2.784245  1.733437       2.691464  
1 1 1 16  19 19 o 44.01500 0.6450238 19.38252       0.5675212 20.27909       0.8135893 18.53283       0.7920371 1.982307       1.290048  
1 1 1 16  19 20 o 90.76879 1.036923  82.52536       1.880292  85.22021       2.738966  80.12330       2.585899  2.791016       2.073847  
1 1 1 16  19 21 o 17.96749 0.5908464 3.229612       0.2116351 3.205685       0.2874576 3.257931       0.3127315 -0.1437778     1.181693  
1 1 1 16  19 22 o 41.84641 0.7326642 16.46716       0.5770931 14.61179       0.6911058 20.74065       1.048866  -7.292839      1.465328  
1 1 1 16  19 23 o 44.28006 0.8108260 19.65281       0.7180215 19.79041       1.012025  19.51335       1.018881  0.3135262      1.621652  
1 1 1 16  19 24 o 52.23637 0.8639923 27.26741       0.8962970 28.12590       1.359169  26.60680       1.192276  1.435406       1.727985  
1 1 1 16  19 25 o 49.24774 0.7115707 24.30438       0.7003230 24.40641       0.9725873 24.19451       1.009242  0.2186661      1.423141  
1 1 1 16  19 26 o 20.30175 0.6684249 4.169577       0.2646020 5.364515       0.3808205 3.054224       0.3679201 5.688717       1.336850  
1 1 1 16  19 27 o 52.24789 0.8191481 27.30716       0.8351082 27.07328       1.067368  27.67629       1.340944  -0.5446091     1.638296  
1 1 1 16  19 28 o 5.438955 1.249444  0.2460324      0.1843501 0.4905918      0.2402553 -0.1041013     0.2874734 2.823711       2.498888  
1 1 1 16  19 29 o 55.15635 0.7598787 30.49314       0.8380732 31.33955       1.196889  29.67897       1.173875  1.502476       1.519757  
1 1 1 16  19 30 o 49.72981 0.7281132 24.76152       0.7236038 23.95415       0.9992656 25.65163       1.049222  -1.700317      1.456226  
1 1 1 16  19 31 o 67.75107 1.134417  46.89249       1.415917  44.37762       2.523281  48.04832       1.710624  -2.867622      2.268834  
1 1 1 16  19 32 o 29.69901 1.265053  9.351823       0.6327127 9.792923       0.7309762 8.034041       1.263444  3.077799       2.530105  
1 1 1 16  19 33 o 57.97097 0.7961112 33.63449       0.9211792 32.36687       1.255548  35.11242       1.355697  -2.352253      1.592222  
1 1 1 16  19 34 o 34.36849 0.6918954 11.86258       0.4748747 12.38527       0.6643693 11.31659       0.6790188 1.556824       1.383791  
1 1 1 16  19 35 f 30.46979 0.7048042 9.313185       0.4290798 9.313457       0.5937765 9.312888       0.6207422 0.5170822E-02  1.409608  
1 1 1 16  19 36 o 34.95272 0.7703848 12.24567       0.5380568 12.66322       0.7814561 11.86928       0.7419356 1.128883       1.540770  
1 1 1 16  19 37 o 50.24553 0.9319634 25.23499       0.9321280 23.83911       1.247124  27.00180       1.403068  -3.112206      1.863927  
1 1 1 16  19 38 o 28.75666 0.8022001 8.241301       0.4589981 7.691978       0.6123707 8.945608       0.6933968 -2.163542      1.604400  
1 1 1 16  19 39 o 17.70178 0.9666276 3.161719       0.3396426 3.218284       0.4556510 3.090993       0.5095019 0.3725910      1.933255  
1 1 1 16  20 0  o 73.40611 1.312208  53.78843       1.920034  51.32935       2.590555  56.78582       2.860083  -3.697975      2.624415  
1 1 1 16  20 1  o 37.57626 1.101892  14.15427       0.8255394 15.62105       1.178956  12.74321       1.156350  3.828014       2.203784  
1 1 1 16  20 2  o 113.4847 1.806779  129.3776       4.099407  127.5649       5.708147  131.3083       5.891053  -1.631424      3.613558  
1 1 1 16  20 3  f 55.13972 1.146726  30.43492       1.263963  31.62578       1.820751  29.32720       1.756033  2.080273       2.293452  
1 1 1 16  20 4  o 35.78014 1.102400  12.81821       0.7866462 14.17769       1.130717  11.54301       1.095108  3.679600       2.204800  
1 1 1 16  20 5  o 37.43167 1.095716  13.74246       0.8114326 11.93752       1.058940  16.30960       1.262890  -5.827332      2.191432  
1 1 1 16  20 6  o 75.12707 1.333086  56.59314       2.002729  57.62335       2.861391  55.60381       2.804053  1.339554       2.666172  
1 1 1 16  20 7  o 101.3181 1.652498  102.4433       3.330530  96.75402       4.441102  109.7551       5.034711  -6.354378      3.304996  
1 1 1 16  20 8  o 64.03246 1.225173  41.10515       1.568720  42.21396       2.239389  40.03677       2.198193  1.696690       2.450346  
1 1 1 16  20 9  o 37.99083 1.100852  14.37041       0.8321072 13.57224       1.110619  15.39181       1.256368  -2.383522      2.201703  
1 1 1 16  20 10 o 35.13266 1.124025  12.40124       0.7880130 12.97929       1.096144  11.78296       1.133639  1.705540       2.248049  
1 1 1 16  20 11 o 56.37732 1.166684  31.85787       1.315023  33.08054       1.878757  30.68352       1.841258  2.122780       2.333369  
1 1 1 16  20 12 o 40.56606 1.138386  16.40980       0.9205677 15.39958       1.241862  17.64201       1.371534  -2.752750      2.276772  
1 1 1 16  20 13 o 46.46829 1.143025  21.64322       1.061046  23.14497       1.520985  20.21958       1.480908  3.144020       2.286051  
1 1 1 16  20 14 f 31.24765 1.184220  9.681112       0.7356554 8.666860       0.9790923 10.99606       1.114820  -3.713440      2.368441  
1 1 1 16  20 15 o 25.24730 1.360876  6.373613       0.6855078 5.945514       0.9315495 6.879247       1.012398  -1.839418      2.721752  
1 1 1 16  20 16 f 11.56853 2.267891  1.275291       0.5568613 0.7617127      0.7163089 2.059797       0.8853097 -4.825830      4.535782  
1 1 1 16  20 17 o 56.12182 1.200756  31.61843       1.347316  31.28084       1.877173  31.97713       1.934925  -0.6132431     2.401511  
1 1 1 16  20 18 f 17.90860 1.889713  3.370676       0.6403282 4.098550       0.8833330 2.564632       0.9295558 4.529252       3.779425  
1 1 1 16  20 19 o 95.69888 1.609556  92.24738       3.079346  94.49328       4.434690  90.15623       4.279179  2.238785       3.219112  
1 1 1 16  20 20 o 56.79858 0.7468514 32.29512       0.8480793 33.42624       1.218112  31.23106       1.181458  1.929276       1.493703  
1 1 1 16  20 21 o 31.46862 0.5938684 9.845241       0.3721592 11.21045       0.5508110 8.698504       0.5048168 3.987886       1.187737  
1 1 1 16  20 22 o 8.375620 0.8549086 0.7022018      0.1417469 0.6952834      0.1871151 0.7115184      0.2171401 -0.9362125E-01 1.709817  
1 1 1 16  20 23 o 52.96121 0.7303784 28.10460       0.7735282 28.75047       1.098143  27.46854       1.089773  1.209435       1.460757  
1 1 1 16  20 24 o 25.55079 0.6403236 6.562309       0.3240539 6.720230       0.4323314 6.359825       0.4895461 0.7102737      1.280647  
1 1 1 16  20 25 o 49.25256 0.8745764 24.32071       0.8610373 23.95840       1.194788  24.71219       1.241963  -0.7592888     1.749153  
1 1 1 16  20 26 f 20.16645 0.6963384 4.056042       0.2798187 3.867326       0.3767470 4.288226       0.4178901 -1.039356      1.392677  
1 1 1 16  20 27 o 35.52614 1.300931  12.65517       0.9220968 11.77622       1.253356  13.69223       1.361420  -2.674488      2.601861  
1 1 1 16  20 28 o 23.11790 0.6550021 5.378173       0.3005785 6.165452       0.4266626 4.602451       0.4235192 3.380146       1.310004  
1 1 1 16  20 29 o 26.43036 1.137916  7.267661       0.4729888 6.646776       1.055494  7.423670       0.5290861 -1.568048      2.275833  
1 1 1 16  20 30 o 7.080364 2.075217  -0.2700803     0.2475625 -0.3514188     0.2545354 1.153767       1.064957  -8.022212      4.150434  
1 1 1 16  20 31 o 38.41933 0.7033614 14.73858       0.5390952 15.66049       0.7977661 13.96378       0.7313479 2.199219       1.406723  
1 1 1 16  20 32 o 15.41288 0.8490630 2.342436       0.2587043 1.911396       0.3429833 2.911334       0.3940319 -3.235227      1.698126  
1 1 1 16  20 33 o 27.67991 0.7212647 7.687700       0.3992157 7.562666       0.5667133 7.810867       0.5624632 -0.4490070     1.442529  
1 1 1 16  20 34 o 54.28917 0.9103282 29.48750       0.9794976 30.62293       1.500858  28.64510       1.292757  1.779831       1.820656  
1 1 1 16  20 35 o 26.06123 0.7695659 6.833945       0.3993259 7.007136       0.5438081 6.631274       0.5882735 0.7289391      1.539132  
1 1 1 16  20 36 o 30.78474 0.7766961 9.530581       0.4774622 9.844724       0.6643360 9.194944       0.6866855 1.059660       1.553392  
1 1 1 16  20 37 o 19.26873 0.8597912 3.699492       0.3283794 3.505531       0.4318610 3.965353       0.5056065 -1.177654      1.719582  
1 1 1 16  20 38 o 19.56011 1.342915  0.000000       0.000000  ?              ?         3.851016       0.5253513 ?              ?         
1 1 1 16  21 0  o 86.28287 1.325279  74.25928       2.208369  73.12665       2.772520  76.22506       3.652541  -1.726601      2.650558  
1 1 1 16  21 1  f 35.58026 1.099587  12.52059       0.7769011 11.30917       1.026885  14.14215       1.188062  -3.970253      2.199174  
1 1 1 16  21 2  o 63.12728 1.213011  39.95944       1.531350  40.38551       2.159956  39.52884       2.171401  0.6794167      2.426021  
1 1 1 16  21 3  o 85.24104 1.452675  72.62520       2.469482  77.15038       3.665522  68.86435       3.341653  4.829102       2.905351  
1 1 1 16  21 4  o 43.68307 1.100632  18.68257       0.9500409 16.16661       1.234508  22.33677       1.487782  -7.043175      2.201265  
1 1 1 16  21 5  o 21.47650 1.436975  4.641217       0.6157445 4.822465       0.8529589 4.443974       0.8897974 0.8848858      2.873950  
1 1 1 16  21 6  o 32.40581 1.133302  10.34436       0.7280654 8.947303       0.9598298 12.23741       1.117296  -5.063911      2.266603  
1 1 1 16  21 7  o 33.37053 1.128884  11.16440       0.7516375 11.16740       1.028247  11.16095       1.101479  0.1548386E-01  2.257768  
1 1 1 16  21 8  o 77.02895 1.363340  59.53786       2.099887  60.95782       3.006052  58.18459       2.934613  1.792984       2.726680  
1 1 1 16  21 9  o 59.38498 1.201325  35.32791       1.424840  34.48302       1.955258  36.28462       2.080636  -1.505135      2.402649  
1 1 1 16  21 10 o 27.58762 1.268422  7.708620       0.6932507 8.383771       0.9468930 6.928648       1.017746  2.644575       2.536845  
1 1 1 16  21 11 o 49.00788 1.156178  23.95217       1.129350  22.41860       1.521998  25.83101       1.684642  -3.465576      2.312355  
1 1 1 16  21 12 o 43.99844 1.141783  19.39486       1.003347  18.94339       1.377006  19.90586       1.464969  -1.084892      2.283566  
1 1 1 16  21 13 o 58.74360 1.215910  34.42177       1.423283  32.11916       1.915015  37.26328       2.127338  -4.354240      2.431821  
1 1 1 16  21 14 o 16.36809 1.861777  2.791622       0.5825239 3.041738       0.7749242 2.466655       0.8833008 2.022625       3.723554  
1 1 1 16  21 15 o 69.29850 1.303998  48.05013       1.801692  45.70023       2.434160  50.89742       2.679417  -3.716507      2.607995  
1 1 1 16  21 16 o 46.25061 1.171114  21.49060       1.082390  21.80047       1.506882  21.16030       1.555749  0.6981430      2.342228  
1 1 1 16  21 17 o 38.85383 1.183942  15.07971       0.9149597 14.42221       1.220979  15.92179       1.381787  -1.908646      2.367884  
1 1 1 16  21 18 o 15.94004 2.089877  2.634944       0.6380640 2.454219       0.8496898 2.868639       0.9662171 -1.240148      4.179755  
1 1 1 16  21 19 o 54.78757 1.215378  30.17243       1.331359  31.12514       1.888604  29.23129       1.877101  1.726643       2.430755  
1 1 1 16  21 20 o 22.87391 0.5506899 5.240509       0.2512799 5.736729       0.3586096 4.761858       0.3522037 2.130510       1.101380  
1 1 1 16  21 21 o 49.24579 0.6983005 24.28769       0.6876367 24.90017       0.9828129 23.70034       0.9624376 1.216290       1.396601  
1 1 1 16  21 22 o 68.77513 0.8497922 47.15392       1.163869  44.60326       1.560725  50.34933       1.746880  -4.155746      1.699584  
1 1 1 16  21 23 o 47.64474 0.6940713 22.73822       0.6610672 22.54496       0.9192397 22.94522       0.9513682 -0.4168434     1.388143  
1 1 1 16  21 24 o 67.83549 0.8517511 46.09921       1.154359  45.01554       1.589513  47.30861       1.679197  -1.678970      1.703502  
1 1 1 16  21 25 f 58.13783 0.7749989 33.89017       0.9010901 34.06929       1.270181  33.70870       1.278528  0.3111115      1.549998  
1 1 1 16  21 26 o 68.18811 1.002337  45.66016       1.286463  43.71391       1.557993  49.83054       2.280626  -4.363297      2.004674  
1 1 1 16  21 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  21 28 o 29.14289 0.9209336 8.763811       0.4933519 9.163358       0.5984884 7.916646       0.8714774 2.182102       1.841867  
1 1 1 16  21 29 f 48.86854 0.7647216 23.78473       0.7429901 25.46176       1.126603  22.49391       0.9884025 3.016918       1.529443  
1 1 1 16  21 30 o 67.09866 0.9567344 45.21440       1.283360  46.74237       1.846977  43.78801       1.784524  2.189674       1.913469  
1 1 1 16  21 31 o 64.15608 1.008924  41.07168       1.273917  43.21704       2.009187  39.62939       1.647388  2.721294       2.017848  
1 1 1 16  21 32 o 63.15390 1.064676  40.17105       1.344736  40.40908       1.899305  39.93179       1.904192  0.3790474      2.129352  
1 1 1 16  21 33 o 31.97879 0.7652243 10.27054       0.4887367 10.93900       0.6933864 9.610527       0.6889905 2.076372       1.530449  
1 1 1 16  21 34 o 34.51364 0.7805550 11.90933       0.5368741 11.39515       0.7235703 12.53913       0.8007991 -1.643097      1.561110  
1 1 1 16  21 35 o 52.68168 0.9490987 27.93143       0.9998971 28.48571       1.418468  27.38398       1.409709  1.043545       1.898197  
1 1 1 16  21 36 o 20.91241 0.8152419 4.305171       0.3366620 3.866108       0.4358521 4.954615       0.5300853 -2.583698      1.630484  
1 1 1 16  22 0  o 59.34043 0.7533461 34.64973       0.8835987 31.55061       1.147704  39.15994       1.384552  -6.399075      1.506692  
1 1 1 16  22 1  o 29.98986 0.9522610 9.417287       0.4351422 9.654585       0.4826657 8.387146       1.005652  2.145317       1.904522  
1 1 1 16  22 2  o 40.94452 1.119245  16.73052       0.9137321 18.68229       1.339181  15.03042       1.249862  4.452412       2.238489  
1 1 1 16  22 3  o 32.54980 1.177466  10.71385       0.7593251 12.16576       1.060869  9.188650       1.087315  4.575428       2.354931  
1 1 1 16  22 4  o 48.93386 1.144867  23.89064       1.117513  26.24216       1.646741  21.88324       1.521485  4.442905       2.289734  
1 1 1 16  22 5  o 39.46559 1.152835  15.56280       0.9059265 17.76117       1.322609  13.61985       1.243403  5.239471       2.305670  
1 1 1 16  22 6  o 21.81673 1.466074  4.762528       0.6382925 4.428077       0.8698544 5.152706       0.9395306 -1.652306      2.932148  
1 1 1 16  22 7  o 68.68510 1.293739  47.31205       1.776195  49.04965       2.564383  45.70971       2.462549  2.420227       2.587478  
1 1 1 16  22 8  o 71.28055 1.317861  50.90033       1.874901  49.17612       2.555219  52.91135       2.759577  -2.596642      2.635722  
1 1 1 16  22 9  o 22.02297 1.508894  4.880585       0.6627673 4.907159       0.9056613 4.849943       0.9724920 0.1390629      3.017789  
1 1 1 16  22 10 o 57.88637 1.209383  33.61880       1.398956  33.11820       1.933238  34.16910       2.026932  -0.8968277     2.418767  
1 1 1 16  22 11 o 28.14808 1.325648  8.090938       0.7294777 9.986743       1.027763  6.166274       1.035556  6.787401       2.651297  
1 1 1 16  22 12 o 47.35935 1.181599  22.36219       1.114641  20.79683       1.496093  24.31509       1.671059  -3.692844      2.363198  
1 1 1 16  22 13 o 32.71763 1.226248  10.74295       0.8008385 10.60383       1.095719  10.90250       1.173379  -0.4463501     2.452496  
1 1 1 16  22 14 o 25.32755 1.404887  6.433733       0.7069059 6.284611       0.9418970 6.626063       1.069682  -0.6543789     2.809774  
1 1 1 16  22 15 o 34.18097 1.237843  11.62174       0.8404922 10.76488       1.112535  12.76103       1.282846  -2.895710      2.475687  
1 1 1 16  22 16 o 36.51924 1.226291  13.42873       0.8931885 13.78128       1.228360  13.03320       1.301094  1.034927       2.452583  
1 1 1 16  22 17 o 54.62175 1.218803  29.90805       1.328799  28.71511       1.810884  31.29971       1.955893  -2.343628      2.437607  
1 1 1 16  22 18 o 36.73774 1.265944  13.62261       0.9270091 14.49684       1.289460  12.68744       1.333634  2.469959       2.531889  
1 1 1 16  22 19 o 28.32730 1.415452  8.155505       0.7944324 8.802086       1.082048  7.399404       1.170106  2.492622       2.830904  
1 1 1 16  22 20 f 62.13544 0.7973987 38.70072       0.9908894 39.18612       1.408292  38.22480       1.394469  0.7720375      1.594797  
1 1 1 16  22 21 o 58.30502 0.7667793 34.00144       0.8925495 32.89403       1.219291  35.27995       1.310108  -2.035988      1.533559  
1 1 1 16  22 22 o 47.82462 0.6967467 22.91042       0.6655651 22.77306       0.9168497 23.06343       0.9677106 -0.2983818     1.393493  
1 1 1 16  22 23 o 56.45242 0.7593064 31.60277       0.8510476 29.23763       1.123934  34.78128       1.302934  -4.888985      1.518613  
1 1 1 16  22 24 o 27.67736 1.062354  7.114181       0.4304686 8.593876       1.126162  6.860987       0.4658442 3.017210       2.124708  
1 1 1 16  22 25 o 49.13681 1.104632  23.60568       0.9899500 22.67817       1.168608  25.96268       1.862898  -3.208984      2.209265  
1 1 1 16  22 26 o 12.45163 0.9009303 1.656346       0.2073003 2.288275       0.2867687 0.9646981      0.3000133 5.316820       1.801861  
1 1 1 16  22 27 o 37.26612 0.6835714 13.87947       0.5087157 13.06199       0.6976107 14.80789       0.7434397 -2.336739      1.367143  
1 1 1 16  22 28 o 17.31161 2.510754  4.201452       0.3801146 4.321836       0.3896789 1.838986       1.726263  6.904291       5.021507  
1 1 1 16  22 29 o 9.328562 1.180114  0.8712509      0.2122830 0.6496739      0.2798887 1.171343       0.3257245 -2.918876      2.360229  
1 1 1 16  22 30 o 89.80707 1.416477  81.61732       2.543206  83.29247       3.659340  80.05226       3.537049  1.765724       2.832955  
1 1 1 16  22 31 o 45.49308 0.8551210 20.76452       0.7771161 20.28981       1.068605  21.29739       1.132164  -1.095428      1.710242  
1 1 1 16  22 32 f 74.20615 1.205004  55.37454       1.782952  53.05354       2.411237  58.17450       2.648362  -3.384979      2.410009  
1 1 1 16  22 33 o 16.16498 0.8635326 2.611860       0.2776893 2.492640       0.3707376 2.764229       0.4191225 -0.8297453     1.727065  
1 1 1 16  22 34 f 22.01813 0.7975881 4.895615       0.3449334 6.108200       0.4971509 3.770072       0.4789755 5.306042       1.595176  
1 1 1 16  22 35 f 45.73587 1.736427  0.000000       0.000000  ?              ?         21.14283       1.588340  ?              ?         
1 1 1 16  23 0  f 60.86417 1.752178  0.000000       0.000000  ?              ?         37.17856       2.132898  ?              ?         
1 1 1 16  23 1  o 39.03976 1.154908  15.08237       0.8942717 18.09563       1.348899  12.71940       1.194510  6.870552       2.309817  
1 1 1 16  23 2  o 68.59958 1.095321  47.65803       1.380230  48.38803       1.659181  46.01778       2.487063  1.803596       2.190641  
1 1 1 16  23 3  o 42.85383 1.142618  18.31721       0.9759871 20.53045       1.438955  16.43158       1.328197  4.771271       2.285235  
1 1 1 16  23 4  f 33.33880 1.207830  11.17463       0.8017310 12.51800       1.142757  9.872484       1.125087  3.965693       2.415660  
1 1 1 16  23 5  o 50.06067 1.161466  25.15046       1.162141  25.14729       1.615074  25.15387       1.673516  -0.1945496E-03 2.322932  
1 1 1 16  23 6  o 21.89263 1.478952  4.748923       0.6426327 4.144555       0.8510673 5.550591       0.9801896 -3.192480      2.957904  
1 1 1 16  23 7  o 51.74749 1.196972  26.78154       1.235204  25.56323       1.671352  28.24784       1.833582  -2.574150      2.393943  
1 1 1 16  23 8  o 44.41159 1.183258  19.55577       1.044081  17.58488       1.384122  22.15783       1.590379  -5.122940      2.366515  
1 1 1 16  23 9  o 62.85077 1.268032  39.62912       1.591990  38.50509       2.187190  40.89560       2.321649  -1.883789      2.536065  
1 1 1 16  23 10 f 29.70421 1.329226  8.744729       0.7835649 7.484032       1.043425  10.37509       1.186584  -4.845995      2.658453  
1 1 1 16  23 11 o 55.12454 1.221014  30.49121       1.345217  32.05209       1.939767  29.04500       1.867157  2.717663       2.442029  
1 1 1 16  23 12 o 60.23862 1.256273  36.41889       1.511183  35.53144       2.070523  37.43050       2.210622  -1.555878      2.512546  
1 1 1 16  23 13 o 48.75320 1.193467  23.89769       1.163008  24.66308       1.636866  23.11739       1.652732  1.587502       2.386935  
1 1 1 16  23 14 o 24.59895 1.428753  6.131311       0.6985490 6.584136       0.9610895 5.624187       1.017082  1.961195       2.857507  
1 1 1 16  23 15 o 34.22614 1.273421  11.82117       0.8688937 12.47917       1.205415  11.10952       1.253604  2.008900       2.546841  
1 1 1 16  23 16 o 47.43875 1.210558  22.62041       1.145690  22.49432       1.564036  22.76641       1.682998  -0.2673569     2.421116  
1 1 1 16  23 17 o 14.77991 2.360031  2.318223       0.6809537 2.340626       0.9398782 2.293471       0.9879468 0.1717844      4.720063  
1 1 1 16  23 18 o 33.10813 1.326453  11.10651       0.8713481 12.60037       1.225367  9.578502       1.239296  4.566217       2.652906  
1 1 1 16  23 19 o 40.89983 1.252579  16.77847       1.019576  19.25394       1.486558  14.57965       1.401035  5.698746       2.505157  
1 1 1 16  23 20 o 35.60388 1.070322  13.20680       0.5743821 13.46670       0.6344254 12.02544       1.352603  2.128853       2.140644  
1 1 1 16  23 21 o 61.01649 0.8821958 37.30869       1.062126  37.66977       1.645700  37.05091       1.390491  0.4716492      1.764392  
1 1 1 16  23 22 o 63.43197 1.325931  40.16769       1.671651  37.05243       2.217861  44.26529       2.543621  -5.611656      2.651862  
1 1 1 16  23 23 o 29.29467 0.6081443 8.583423       0.3558054 8.347111       0.4879338 8.851774       0.5199615 -0.8579292     1.216289  
1 1 1 16  23 24 o 34.35789 0.6373643 11.82534       0.4378378 12.24252       0.6244326 11.42186       0.6140893 1.193115       1.274729  
1 1 1 16  23 25 o 49.01792 0.7501534 24.11441       0.7347584 23.61291       1.054890  24.58698       1.024008  -0.9978294     1.500307  
1 1 1 16  23 26 o 19.59752 0.6754124 3.832904       0.2641196 3.534345       0.3602935 4.179722       0.3883224 -1.642895      1.350825  
1 1 1 16  23 27 o 30.55273 0.7087060 9.354687       0.4325243 9.235803       0.5954171 9.487511       0.6293564 -0.4071102     1.417412  
1 1 1 16  23 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  23 29 o 21.55192 0.7266909 4.624466       0.3116926 4.316634       0.4163465 5.016982       0.4701388 -1.616135      1.453382  
1 1 1 16  23 30 o 27.09276 0.7288520 7.346081       0.3939331 7.114574       0.5351176 7.619977       0.5820476 -0.9250011     1.457704  
1 1 1 16  23 31 o 75.65601 1.223913  57.80488       1.851454  57.21333       2.584268  58.42870       2.653821  -0.7828293     2.447826  
1 1 1 16  23 32 o 44.17011 0.8432655 19.61080       0.7448564 19.79725       1.048806  19.42105       1.058026  0.4278145      1.686531  
1 1 1 16  23 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  24 0  o 60.18679 0.8822017 36.44362       1.034091  36.92967       1.324674  35.68533       1.654593  1.062874       1.764403  
1 1 1 16  24 1  o 31.07240 0.6479065 9.667054       0.4026029 9.503475       0.5687684 9.831326       0.5699664 -0.5274792     1.295813  
1 1 1 16  24 2  o 45.48003 0.8010172 20.51996       0.7239472 22.50356       1.102554  19.01662       0.9598480 3.821602       1.602034  
1 1 1 16  24 3  o 36.52256 0.6751114 13.16713       0.4873017 14.55942       0.7626444 12.20649       0.6334868 3.212074       1.350223  
1 1 1 16  24 4  o 74.76578 1.375549  56.20792       2.056481  55.89821       2.876753  56.53161       2.940915  -0.4142838     2.751097  
1 1 1 16  24 5  o 27.18935 1.354976  7.404030       0.7333863 7.145421       0.9836972 7.727651       1.100420  -1.053793      2.709953  
1 1 1 16  24 6  o 68.40457 1.322889  46.78091       1.804268  50.53603       2.682817  43.67995       2.437961  4.975952       2.645778  
1 1 1 16  24 7  o 54.20684 1.220346  29.51060       1.321898  31.23885       1.890130  27.85598       1.849426  3.114738       2.440691  
1 1 1 16  24 8  o 48.78615 1.188833  23.85626       1.158086  25.84996       1.679254  22.04803       1.599236  3.885494       2.377667  
1 1 1 16  24 9  o 45.60575 1.193616  20.87330       1.087483  20.38873       1.496253  21.41590       1.583304  -1.113705      2.387231  
1 1 1 16  24 10 o 10.27216 2.470536  1.003562       0.6045319 1.065944       0.7956045 0.9183444      0.9298912 0.1947899      4.941071  
1 1 1 16  24 11 o 51.30263 1.244831  26.40361       1.275342  25.34664       1.746002  27.61256       1.867314  -2.189041      2.489663  
1 1 1 16  24 12 o 68.56090 1.338874  47.14899       1.832458  50.39163       2.691703  44.34800       2.501690  4.373810       2.677747  
1 1 1 16  24 13 o 33.26929 1.330438  11.11528       0.8825085 10.80697       1.195028  11.48511       1.308833  -0.9986916     2.660875  
1 1 1 16  24 14 o 66.05518 1.331851  43.34694       1.747328  49.35624       2.666429  38.82420       2.313228  7.907833       2.663701  
1 1 1 16  24 15 o 38.70018 1.264084  15.01394       0.9757105 14.32880       1.321616  15.83474       1.446558  -1.923416      2.528168  
1 1 1 16  24 16 o 19.54755 1.812477  3.876059       0.7076991 4.092198       0.9999475 3.659148       1.001730  1.108156       3.624954  
1 1 1 16  24 17 o 44.40581 1.242643  19.78828       1.101408  18.99063       1.501018  20.71873       1.621163  -1.923885      2.485287  
1 1 1 16  24 18 o 16.04157 2.245943  2.783621       0.6941684 3.359052       0.9285000 2.054394       1.045241  4.316823       4.491886  
1 1 1 16  24 19 o 29.81520 1.425808  8.910620       0.8461742 8.359727       1.131451  9.609777       1.274647  -2.062656      2.851616  
1 1 1 16  24 20 o 40.25414 1.054050  16.54123       0.6641321 16.69665       0.7393759 15.89209       1.511042  1.132298       2.108100  
1 1 1 16  24 21 f 31.24300 0.5988699 9.719209       0.3730233 9.008940       0.5039390 10.58005       0.5547886 -2.508965      1.197740  
1 1 1 16  24 22 o 52.45787 0.7386646 27.48834       0.7727351 26.28936       1.045838  28.92984       1.146745  -2.503525      1.477329  
1 1 1 16  24 23 o 15.80729 0.6758008 2.472838       0.2073244 3.420332       0.3128644 1.731016       0.2768329 5.339078       1.351602  
1 1 1 16  24 24 o 28.88877 0.6680645 8.361776       0.3856939 8.258001       0.5336791 8.475244       0.5580434 -0.3728065     1.336129  
1 1 1 16  24 25 o 30.86981 0.6883537 9.557620       0.4248715 9.738216       0.5980566 9.373597       0.6037014 0.5913563      1.376707  
1 1 1 16  24 26 o 27.90794 0.6798237 7.779932       0.3784814 7.400342       0.5133396 8.232046       0.5602371 -1.483160      1.359647  
1 1 1 16  24 27 o 30.61236 0.7037814 9.397054       0.4304349 9.332529       0.5943072 9.468243       0.6242498 -0.2169952     1.407563  
1 1 1 16  24 28 o 30.74649 0.7214893 9.312512       0.4392957 8.265223       0.5743948 10.78830       0.6818494 -4.085594      1.442979  
1 1 1 16  24 29 o 61.39391 1.032643  37.93139       1.267016  37.23074       1.752240  38.69913       1.834233  -1.175827      2.065287  
1 1 1 16  24 30 o 10.86014 1.007232  1.169540       0.2170224 1.037149       0.2860658 1.349056       0.3331098 -1.424040      2.014464  
1 1 1 16  24 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  24 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  25 0  o 38.14489 0.6199373 14.55471       0.4727308 14.05161       0.6572467 15.09394       0.6804411 -1.364670      1.239875  
1 1 1 16  25 1  o 58.65257 0.7620426 34.37722       0.8924741 35.99847       1.308389  32.96648       1.220489  2.577045       1.524085  
1 1 1 16  25 2  o 57.65997 0.7529472 33.18168       0.8660811 31.62017       1.174738  35.04113       1.281916  -2.957111      1.505894  
1 1 1 16  25 3  o 102.9256 1.374654  107.4013       2.732373  109.7934       3.463843  103.4608       4.445660  3.234070       2.749308  
1 1 1 16  25 4  o 42.34458 0.7617933 17.94245       0.6447125 17.30227       0.8920349 18.64256       0.9328568 -1.578838      1.523587  
1 1 1 16  25 5  o 57.86348 1.351424  33.58865       1.563961  33.58865       1.563961  ?              ?         ?              ?         
1 1 1 16  25 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  25 7  f 25.89596 2.173147  0.000000       0.000000  ?              ?         6.764239       1.125515  ?              ?         
1 1 1 16  25 8  o 59.76569 1.270245  35.78988       1.513808  34.14753       2.047212  37.77131       2.248632  -2.997593      2.540489  
1 1 1 16  25 9  o 56.21488 1.266733  31.72299       1.422364  30.38464       1.952130  33.23759       2.076697  -2.516197      2.533466  
1 1 1 16  25 10 o 15.37070 2.256053  2.497934       0.6709787 2.675986       0.9446960 2.316671       0.9531754 1.177745       4.512105  
1 1 1 16  25 11 o 30.37657 1.371903  9.294057       0.8326466 9.264382       1.151353  9.326593       1.205600  -0.9208679E-01 2.743806  
1 1 1 16  25 12 o 9.314438 2.466981  0.6181285      0.6478324 1.048801       0.8805822 0.1100375      0.9564610 2.277198       4.933962  
1 1 1 16  25 13 o 40.05718 1.287370  16.00524       1.026488  14.51541       1.374534  17.88375       1.543452  -4.172649      2.574740  
1 1 1 16  25 14 o 11.06363 2.514560  1.051802       0.6691891 0.3868706      0.8798712 1.964189       1.030671  -5.064156      5.029120  
1 1 1 16  25 15 o 10.48699 2.469168  0.9282327      0.6422670 0.3245071      0.8579233 1.698005       0.9687456 -4.401501      4.938335  
1 1 1 16  25 16 o 36.66463 1.335811  13.54873       0.9773452 13.47498       1.336542  13.63349       1.432825  -0.1951027     2.671622  
1 1 1 16  25 17 o 50.10209 1.284968  25.27377       1.285670  24.76276       1.763439  25.85359       1.878429  -1.063019      2.569935  
1 1 1 16  25 18 o 10.30188 2.650349  0.8637567      0.7046176 0.6013130      0.9171435 1.241802       1.100757  -2.223490      5.300698  
1 1 1 16  25 19 o 31.24576 1.974406  9.753426       1.109329  10.41591       2.119881  9.503598       1.301800  1.180075       3.948812  
1 1 1 16  25 20 o 17.49618 3.380213  0.000000       0.000000  ?              ?         3.248190       1.140603  ?              ?         
1 1 1 16  25 21 o 45.62625 0.7715593 20.91560       0.7029841 20.03363       1.007601  21.75207       0.9812613 -1.887016      1.543119  
1 1 1 16  25 22 o 41.90394 0.7690299 17.59283       0.6439053 17.06755       0.8875056 18.17664       0.9356391 -1.316021      1.538060  
1 1 1 16  25 23 o 48.94077 0.8554345 24.04574       0.8371869 24.45469       1.196610  23.65364       1.171705  0.8140678      1.710869  
1 1 1 16  25 24 o 30.38193 0.6740190 9.246462       0.4092556 9.757634       0.5889780 8.769237       0.5690843 1.623655       1.348038  
1 1 1 16  25 25 o 35.18763 0.7190645 12.41811       0.5059274 12.79886       0.7216559 12.05011       0.7094783 1.062004       1.438129  
1 1 1 16  25 26 o 16.80997 0.6968017 2.837766       0.2338076 2.893791       0.3226620 2.775825       0.3392706 0.3534908      1.393603  
1 1 1 16  25 27 o 30.51169 0.7005627 9.342622       0.4273923 9.478110       0.6004485 9.203485       0.6084794 0.4513664      1.401125  
1 1 1 16  25 28 o 31.10677 1.022628  0.000000       0.000000  ?              ?         9.712442       0.6362128 ?              ?         
1 1 1 16  25 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  25 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  26 0  o 50.98827 0.7152775 25.99865       0.7287036 27.20378       1.059185  24.91561       1.004104  2.238682       1.430555  
1 1 1 16  26 1  o 56.04662 0.7451997 31.29846       0.8321744 29.51823       1.119187  33.49968       1.244508  -3.539566      1.490399  
1 1 1 16  26 2  o 36.96185 0.6170039 13.66599       0.4558531 13.13343       0.6327536 14.24065       0.6572938 -1.495762      1.234008  
1 1 1 16  26 3  o 42.05462 0.6463878 17.51079       0.5403287 15.87305       0.7175096 19.65626       0.8212301 -4.488922      1.292776  
1 1 1 16  26 4  o 43.16413 0.6484722 18.65597       0.5597171 18.37099       0.7826604 18.95428       0.8007692 -0.6740685     1.296944  
1 1 1 16  26 5  o 30.45080 0.5807391 9.221070       0.3524602 10.15298       0.5247392 8.455013       0.4757604 2.784157       1.161478  
1 1 1 16  26 6  o 37.89286 0.6253024 14.38192       0.4737970 14.45206       0.6644282 14.30935       0.6758173 0.1892853      1.250605  
1 1 1 16  26 7  o 52.62547 1.811796  27.87600       1.906932  27.87600       1.906932  ?              ?         ?              ?         
1 1 1 16  26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  26 10 o 12.88536 3.805739  0.000000       0.000000  ?              ?         1.739501       1.047631  ?              ?         
1 1 1 16  26 11 o 52.50685 1.299517  27.70937       1.362978  29.66003       1.976260  25.93986       1.882258  3.524090       2.599035  
1 1 1 16  26 12 o 36.38078 1.358878  13.17523       0.9823885 11.60686       1.307869  15.20573       1.488137  -4.907112      2.717756  
1 1 1 16  26 13 o 34.07981 1.382388  11.77247       0.9378220 12.75725       1.306476  10.72562       1.347014  2.990082       2.764777  
1 1 1 16  26 14 o 36.96299 1.316743  13.64017       0.9680985 12.44297       1.289816  15.18480       1.465063  -3.668556      2.633485  
1 1 1 16  26 15 f 28.10381 2.008155  8.179262       1.051982  7.704427       1.828936  8.414026       1.286009  -1.449926      4.016310  
1 1 1 16  26 16 o 53.96711 1.686241  30.08952       1.712856  27.83017       2.909935  31.28735       2.118803  -3.433350      3.372483  
1 1 1 16  26 17 o 14.72760 4.628161  0.000000       0.000000  ?              ?         2.288061       1.516989  ?              ?         
1 1 1 16  26 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  26 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  26 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  26 21 f 25.80978 0.8553068 6.676067       0.4415057 6.676067       0.4415057 ?              ?         ?              ?         
1 1 1 16  26 22 o 13.25052 0.6401649 1.759044       0.1695262 1.729133       0.2345282 1.791774       0.2453289 -0.2348261     1.280330  
1 1 1 16  26 23 o 48.08993 0.8450292 23.04158       0.8084162 21.50172       1.077532  25.02440       1.222731  -3.635498      1.690058  
1 1 1 16  26 24 o 26.16020 0.6436128 6.816424       0.3355809 6.296127       0.4525448 7.452044       0.5001900 -2.202290      1.287226  
1 1 1 16  26 25 o 18.43003 0.6504228 3.389732       0.2390532 3.065115       0.3263023 3.765810       0.3512152 -1.897053      1.300846  
1 1 1 16  26 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  26 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  26 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 0  o 32.29126 0.6116280 10.42669       0.3946403 9.843893       0.5469177 11.05974       0.5700098 -1.880611      1.223256  
1 1 1 16  27 1  f 21.67410 0.6044572 4.594282       0.2585424 5.783300       0.3994678 3.737185       0.3391583 4.714945       1.208914  
1 1 1 16  27 2  o 59.31943 0.7764406 35.06611       0.9176759 32.97905       1.233936  37.64900       1.372707  -3.920593      1.552881  
1 1 1 16  27 3  o 57.77939 0.7687361 33.40033       0.8870065 32.33506       1.214835  34.61672       1.298138  -1.965107      1.537472  
1 1 1 16  27 4  o 19.37157 0.5605294 3.690542       0.2152052 4.397795       0.3300530 3.167477       0.2838403 3.171782       1.121059  
1 1 1 16  27 5  o 33.85361 0.6050262 11.47822       0.4096464 11.47653       0.5790712 11.47991       0.5795839 -0.4936218E-02 1.210052  
1 1 1 16  27 6  o 63.75121 0.8141893 40.67598       1.036922  42.46985       1.511319  39.08045       1.425315  2.647701       1.628379  
1 1 1 16  27 7  o 20.39009 0.5459923 4.163284       0.2224251 4.158120       0.3218768 4.168002       0.3077140 -0.2544403E-01 1.091985  
1 1 1 16  27 8  o 28.62371 1.464637  8.014450       0.8250337 6.562243       1.065892  10.18483       1.303067  -6.271124      2.929274  
1 1 1 16  27 9  o 21.93036 1.736955  4.906667       0.7563201 5.167145       1.027945  4.599231       1.116764  1.320990       3.473910  
1 1 1 16  27 10 o 22.38158 2.364824  5.184930       0.9401426 5.136304       1.121345  5.299987       1.724886  0.2193832      4.729648  
1 1 1 16  27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 21 o 19.01160 0.8022643 3.621818       0.3050466 3.621818       0.3050466 ?              ?         ?              ?         
1 1 1 16  27 22 o 15.76441 0.6208964 2.500165       0.1928048 3.079752       0.2783138 1.965340       0.2673507 3.533011       1.241793  
1 1 1 16  27 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  27 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 0  o 56.30056 0.7573521 31.75966       0.8525073 32.64455       1.224482  30.92725       1.187618  1.520634       1.514704  
1 1 1 16  28 1  o 38.50585 0.6390330 14.84676       0.4919907 14.47367       0.6861770 15.24149       0.7057975 -0.9949646     1.278066  
1 1 1 16  28 2  o 44.95146 0.6767091 19.92460       0.6027668 22.72169       0.9330725 17.92132       0.7896484 5.323196       1.353418  
1 1 1 16  28 3  o 30.81934 0.9975698 8.818101       0.4533725 10.65531       1.175721  8.497196       0.4913750 3.389025       1.995140  
1 1 1 16  28 4  o 20.73121 1.780679  4.354732       0.7363036 3.925478       1.017080  4.827437       1.067317  -2.159803      3.561358  
1 1 1 16  28 5  o 59.72147 1.099159  36.59136       1.164862  37.47045       1.371944  34.32070       2.204935  2.792053       2.198317  
1 1 1 16  28 6  o 49.43256 0.7162603 24.48513       0.7078266 24.07574       0.9837962 24.92450       1.019177  -0.8540382     1.432521  
1 1 1 16  28 7  f 63.36328 0.8538606 40.32880       1.078359  40.72036       1.469513  39.87193       1.587356  0.6872292      1.707721  
1 1 1 16  28 8  o 16.35419 0.5572383 2.652311       0.1812461 2.935772       0.2746119 2.433529       0.2412567 1.532222       1.114477  
1 1 1 16  28 9  o 16.15786 0.5613760 2.630067       0.1802930 2.431775       0.2634605 2.804717       0.2472558 -1.155683      1.122752  
1 1 1 16  28 10 o 36.41430 0.9377539 13.29037       0.6829531 13.29037       0.6829531 ?              ?         ?              ?         
1 1 1 16  28 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  28 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  29 0  o 51.57136 1.500073  26.24482       0.9815083 26.05618       1.041109  27.75229       2.943114  -1.185055      3.000145  
1 1 1 16  29 1  o 12.28538 2.945393  1.530085       0.7864185 1.722763       0.8739448 0.7101160      1.802881  0.8648777      5.890786  
1 1 1 16  29 2  o 42.81889 0.7253822 18.46899       0.6167242 19.21301       0.8341086 17.57171       0.9159898 1.927135       1.450764  
1 1 1 16  29 3  o 14.90860 0.6594876 2.259913       0.1936659 1.974996       0.2879352 2.495291       0.2617092 -1.748041      1.318975  
1 1 1 16  29 4  o 35.54461 0.6666405 12.66411       0.4728117 13.83230       0.6760928 11.54594       0.6614608 3.214394       1.333281  
1 1 1 16  29 5  o 28.46679 0.6342495 8.113818       0.3609402 8.379751       0.5197716 7.866148       0.5016059 0.8999405      1.268499  
1 1 1 16  29 6  o 52.30624 0.8920460 27.47588       0.9331493 27.13449       1.313335  27.82394       1.326102  -0.6568642     1.784092  
1 1 1 16  29 7  o 30.35431 0.6539478 9.187446       0.3958087 8.299035       0.5395570 10.22259       0.5824123 -3.162981      1.307896  
1 1 1 16  29 8  o 41.97525 0.7654173 17.65919       0.6422406 17.04551       0.8916893 18.32073       0.9258016 -1.513821      1.530835  
1 1 1 16  29 9  o 50.82523 0.8689302 25.90966       0.8824009 26.65622       1.282745  25.23905       1.215755  1.382473       1.737860  
1 1 1 16  29 10 o 67.87900 1.093461  46.21854       1.480365  44.10358       2.005105  48.75272       2.194842  -3.381546      2.186922  
1 1 1 16  29 11 o 19.10246 0.5697991 3.664391       0.2151838 2.972534       0.2987125 4.410709       0.3102469 -3.762949      1.139598  
1 1 1 16  29 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  29 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  29 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  29 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  29 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  29 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  29 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  29 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  29 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  30 0  f 23.08344 0.6703722 5.364633       0.3070310 4.562965       0.4321239 6.181951       0.4363214 -3.506258      1.340744  
1 1 1 16  30 1  o 47.48907 0.8481979 22.64275       0.8055529 22.29236       1.135473  22.99781       1.143012  -0.7414818     1.696396  
1 1 1 16  30 2  o 58.93236 1.399728  34.92324       1.649786  34.92324       1.649786  ?              ?         ?              ?         
1 1 1 16  30 3  o 44.90116 0.8164759 20.17885       0.7313531 21.03817       1.081305  19.45428       0.9929178 1.749092       1.632952  
1 1 1 16  30 4  o 65.37579 1.066171  43.00974       1.393485  43.61731       2.004213  42.44118       1.938787  0.8849335      2.132342  
1 1 1 16  30 5  o 22.38061 0.6295173 4.754098       0.2741647 6.420560       0.4533907 3.793479       0.3442314 5.854187       1.259035  
1 1 1 16  30 6  o 33.71272 0.6879802 11.39285       0.4636014 10.85468       0.6479319 11.95737       0.6636122 -1.633022      1.375960  
1 1 1 16  30 7  o 27.66088 0.6367397 7.672029       0.3518461 7.645115       0.5095472 7.696555       0.4864286 -0.9626389E-01 1.273479  
1 1 1 16  30 8  o 9.422996 0.7692474 0.8908933      0.1402130 0.8924457      0.2296319 0.8899705      0.1770501 0.4281998E-02  1.538495  
1 1 1 16  30 9  o 29.19586 0.6431648 8.522340       0.3746690 7.738495       0.5164020 9.393589       0.5444325 -2.830482      1.286330  
1 1 1 16  30 10 o 15.98966 0.5981338 2.602597       0.1880794 2.122271       0.2717842 3.044004       0.2605408 -2.883771      1.196268  
1 1 1 16  30 11 o 16.05637 0.5761521 2.526346       0.1829537 3.044729       0.2844151 2.160438       0.2389536 2.747654       1.152304  
1 1 1 16  30 12 o 36.53121 0.7040456 13.35355       0.5132819 13.92042       0.7564129 12.86977       0.6987874 1.428349       1.408091  
1 1 1 16  30 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  30 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  30 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  30 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  30 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  31 0  o 50.05137 0.8828925 25.17409       0.8836914 25.10994       1.258720  25.23644       1.240926  -0.1298447     1.765785  
1 1 1 16  31 1  o 32.72461 0.7059436 10.54835       0.4570448 12.08882       0.7133128 9.475455       0.5952951 3.974573       1.411887  
1 1 1 16  31 2  o 20.16693 0.6660200 4.101422       0.2665902 3.857438       0.3950964 4.305348       0.3612095 -1.115486      1.332040  
1 1 1 16  31 3  f 33.17957 0.7041311 10.91667       0.4638452 12.08972       0.7103444 10.04469       0.6124423 3.066284       1.408262  
1 1 1 16  31 4  f 18.14707 1.212807  0.000000       0.000000  ?              ?         3.308740       0.4401777 ?              ?         
1 1 1 16  31 5  f 5.051299 1.192179  0.2372323      0.1348370 0.2577007      0.2371425 0.2274536      0.1639115 0.5153179      2.384357  
1 1 1 16  31 6  o 15.14140 0.6731064 2.310516       0.1999769 2.240946       0.3123378 2.358848       0.2603325 -0.3975239     1.346213  
1 1 1 16  31 7  o 60.77461 1.004031  37.19072       1.220360  37.13564       1.731419  37.24510       1.720333  -0.9275055E-01 2.008063  
1 1 1 16  31 8  o 32.39838 0.9369889 0.000000       0.000000  ?              ?         10.52906       0.6071385 ?              ?         
1 1 1 16  31 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  31 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  31 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  31 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  31 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  32 0  o 43.81817 0.8184167 19.01862       0.7103634 21.24914       1.101318  17.42949       0.9295850 4.323162       1.636833  
1 1 1 16  32 1  o 20.35876 0.6865678 4.197970       0.2764120 3.835100       0.4118876 4.495292       0.3728347 -1.628115      1.373136  
1 1 1 16  32 2  o 12.37179 0.8036736 1.496539       0.1951511 1.751271       0.3150746 1.337991       0.2485715 1.656789       1.607347  
1 1 1 16  32 3  o 46.34859 1.667423  0.000000       0.000000  ?              ?         21.69162       1.545654  ?              ?         
1 1 1 16  32 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  32 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  32 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  32 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 16  32 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  0  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  0  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  0  2  o 123.1380 2.657080  151.7490       6.514944  158.0346       9.616699  146.4172       8.857143  -0.000000      0.000000  
1 1 1 17  0  3  o 223.3089 3.309895  499.8430       14.76566  505.2008       21.11411  494.7147       20.65700  -0.000000      0.000000  
1 1 1 17  0  4  o 76.89005 1.242574  59.22167       1.908550  58.93279       2.685996  59.51626       2.712391  -0.000000      0.000000  
1 1 1 17  0  5  o 307.9349 4.550430  951.7269       27.99319  961.6379       40.01059  942.2236       39.17921  -0.000000      0.000000  
1 1 1 17  0  6  o 177.9789 3.753271  317.4712       13.34683  317.4712       13.34683  317.4712       13.34683  -0.000000      0.000000  
1 1 1 17  0  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  0  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  0  9  o 198.6226 4.175653  395.5280       16.57125  395.5280       16.57125  395.5280       16.57125  -0.000000      0.000000  
1 1 1 17  0  10 o 72.16692 1.187615  52.17614       1.712054  52.22412       2.426428  52.12857       2.416026  -0.000000      0.000000  
1 1 1 17  0  11 o 120.4361 1.838260  145.3211       4.423109  144.4673       6.223502  146.1924       6.287430  -0.000000      0.000000  
1 1 1 17  0  12 f 55.36680 0.9948172 30.71058       1.099824  30.27795       1.537704  31.16371       1.573692  -0.000000      0.000000  
1 1 1 17  0  13 o 250.8344 3.714944  631.4007       18.61376  623.5370       25.97446  639.7021       26.68769  -0.000000      0.000000  
1 1 1 17  0  14 o 147.4501 2.221133  217.9056       6.542792  219.6926       9.335810  216.1808       9.172171  -0.000000      0.000000  
1 1 1 17  0  15 o 19.36522 1.030330  3.814730       0.3945209 3.854539       0.5560442 3.774373       0.5598487 -0.000000      0.000000  
1 1 1 17  0  16 o 71.43922 1.187660  51.13747       1.694821  51.08591       2.393646  51.18933       2.400046  -0.000000      0.000000  
1 1 1 17  0  17 f 245.3631 3.640334  605.0710       17.84624  602.9761       25.14888  607.1959       25.32887  -0.000000      0.000000  
1 1 1 17  0  18 o 74.04592 1.219761  54.74427       1.799899  52.19488       2.444663  57.76214       2.659806  -0.000000      0.000000  
1 1 1 17  0  19 o 68.68480 1.155188  47.07265       1.580463  44.64639       2.139652  49.98599       2.344605  -0.000000      0.000000  
1 1 1 17  0  20 o 22.03274 0.9223170 4.869242       0.4017872 5.344227       0.6023437 4.488489       0.5392957 -0.000000      0.000000  
1 1 1 17  0  21 o 70.65935 1.176116  50.04111       1.659860  50.14361       2.365332  49.94165       2.329862  -0.000000      0.000000  
1 1 1 17  0  22 o 85.84761 1.378321  73.15430       2.347369  68.08236       3.105220  79.91747       3.585756  -0.000000      0.000000  
1 1 1 17  0  23 o 103.8824 1.615179  108.1537       3.349913  110.3977       4.844681  106.0978       4.637116  -0.000000      0.000000  
1 1 1 17  0  24 f 66.65865 1.133538  44.15481       1.499231  47.85320       2.285061  41.35945       1.986596  -0.000000      0.000000  
1 1 1 17  0  25 o 114.0697 1.757999  130.5759       4.006372  130.7416       5.685238  130.4125       5.646690  -0.000000      0.000000  
1 1 1 17  0  26 o 83.03718 1.344345  68.77280       2.221965  64.90691       2.991238  73.53205       3.318910  -0.000000      0.000000  
1 1 1 17  0  27 o 62.41319 1.090040  38.79430       1.351968  41.64077       2.039814  36.56423       1.805499  -0.000000      0.000000  
1 1 1 17  0  28 o 12.49965 1.396967  1.695340       0.3172593 1.533033       0.4771269 1.823979       0.4247685 -0.000000      0.000000  
1 1 1 17  0  29 o 6.479424 2.102203  0.5937054      0.2934545 0.7458274      0.4611942 0.4902167      0.3803946 -0.000000      0.000000  
1 1 1 17  0  30 o 10.29160 1.747400  1.227991       0.3089789 1.220563       0.4680400 1.233729       0.4113524 -0.000000      0.000000  
1 1 1 17  0  31 o 55.86160 1.028414  31.31055       1.147102  30.87299       1.626895  31.74315       1.617638  -0.000000      0.000000  
1 1 1 17  0  32 o 70.91896 1.713608  50.47538       2.427396  50.47538       2.427396  50.47538       2.427396  -0.000000      0.000000  
1 1 1 17  0  33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  0  34 o 12.90391 1.854791  1.861694       0.3853270 1.862710       0.7027605 1.861257       0.4607639 -0.000000      0.000000  
1 1 1 17  0  35 o 19.64059 1.073043  3.878012       0.4102345 4.240571       0.6493313 3.637165       0.5292339 -0.000000      0.000000  
1 1 1 17  0  36 o 6.143782 2.203555  0.5354365      0.3300391 0.7036521      0.5279098 0.4275034      0.4228669 -0.000000      0.000000  
1 1 1 17  0  37 o 25.01615 0.9811667 6.188212       0.4822006 7.384321       0.7517182 5.351932       0.6285589 -0.000000      0.000000  
1 1 1 17  0  38 o 18.04860 1.153274  3.303865       0.4057746 3.626367       0.6297081 3.074863       0.5306317 -0.000000      0.000000  
1 1 1 17  0  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  0  40 o 34.63388 0.9652528 12.10741       0.6623306 10.53352       0.9301894 13.72597       0.9433020 -0.000000      0.000000  
1 1 1 17  0  41 o 6.825375 2.226040  0.7013668      0.3707014 0.3263911      0.6118801 0.9188091      0.4659473 -0.000000      0.000000  
1 1 1 17  0  42 o 10.02877 2.184748  1.259646       0.3750850 1.272779       0.6118007 1.251737       0.4747804 -0.000000      0.000000  
1 1 1 17  0  43 o 6.165292 2.308153  0.5024692      0.3713807 0.7953203      0.6159624 0.3352087      0.4655084 -0.000000      0.000000  
1 1 1 17  0  44 o 49.93910 1.046271  25.07972       1.040446  25.16541       1.526465  25.00536       1.421917  -0.000000      0.000000  
1 1 1 17  0  45 o 12.39897 2.154223  2.165857       0.4586260 0.9751225      0.7371613 2.917823       0.5858064 -0.000000      0.000000  
1 1 1 17  0  46 o 16.55122 2.138970  2.849216       0.6249180 2.274756       0.7860612 3.835888       1.030180  -0.000000      0.000000  
1 1 1 17  0  47 o 31.59631 1.842556  10.14421       1.156106  10.14421       1.156106  10.14421       1.156106  -0.000000      0.000000  
1 1 1 17  0  48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  1  0  o 100.5612 1.098826  100.9006       2.205524  104.9458       3.245414  97.42923       3.006442  3.735268       2.197652  
1 1 1 17  1  1  o 175.1514 1.842897  306.6210       6.448826  299.1147       8.877672  315.0068       9.383359  -4.529434      3.685795  
1 1 1 17  1  2  f 102.8284 1.120374  105.4367       2.298499  101.3378       3.121809  110.2892       3.396697  -4.350197      2.240748  
1 1 1 17  1  3  o 210.7437 2.711260  443.1563       10.70506  449.7739       18.84234  440.0021       13.00842  2.192795       5.422520  
1 1 1 17  1  4  o 269.3432 3.980699  727.3840       21.42289  745.8569       31.12254  710.7498       29.53301  6.463837       7.961398  
1 1 1 17  1  5  o 146.9223 2.207033  216.0884       6.484389  218.1424       9.261157  214.1129       9.082088  1.367828       4.414066  
1 1 1 17  1  6  o 64.16174 0.9991917 40.12071       1.222193  37.87820       1.496338  44.61541       2.118423  -5.244576      1.998383  
1 1 1 17  1  7  o 224.1895 3.321430  503.4884       14.87777  516.3893       21.62429  491.8928       20.50128  5.428696       6.642860  
1 1 1 17  1  8  o 200.0931 2.099330  400.4084       8.393093  391.2769       11.56934  410.5535       12.19457  -4.804169      4.198660  
1 1 1 17  1  9  o 234.1885 3.467312  550.3469       16.23984  551.9269       23.04254  548.7876       22.89142  0.6648865      6.934624  
1 1 1 17  1  10 o 209.5315 3.107935  440.3205       13.02406  439.2082       18.36690  441.4455       18.47115  -0.5303802     6.215870  
1 1 1 17  1  11 o 134.2372 2.028342  180.4318       5.445575  180.1776       7.698371  180.6863       7.704043  -0.1893768     4.056684  
1 1 1 17  1  12 f 138.9415 1.480892  193.1823       4.115023  192.2675       5.792413  194.1145       5.847014  -0.6636963     2.961785  
1 1 1 17  1  13 o 227.3569 2.380172  517.7333       10.81836  509.6203       15.03910  526.4335       15.57385  -3.680908      4.760344  
1 1 1 17  1  14 o 80.83536 0.3733701 65.52509       0.5934992 64.35580       0.9239427 66.34647       0.7743914 -1.232132      0.7467403 
1 1 1 17  1  15 f 64.29590 0.7768098 41.35058       0.9989083 41.44366       1.415484  41.25823       1.409872  0.1441422      1.553620  
1 1 1 17  1  16 o 78.37610 0.8971241 61.43704       1.406019  62.23913       2.011271  60.67041       1.966314  1.000069       1.794248  
1 1 1 17  1  17 o 26.15584 0.6193723 6.830846       0.3217047 8.003782       0.4671335 5.772688       0.4436896 4.264709       1.238745  
1 1 1 17  1  18 o 56.84302 0.7177334 32.23875       0.8145654 30.96714       1.112930  33.70586       1.195428  -2.407673      1.435467  
1 1 1 17  1  19 o 24.04326 0.6230140 5.719995       0.2976888 4.936041       0.3997779 6.695685       0.4459946 -3.658594      1.246028  
1 1 1 17  1  20 o 36.17537 0.6042008 12.59970       0.4288688 16.19672       0.6880999 10.31482       0.5484182 8.127190       1.208402  
1 1 1 17  1  21 o 131.2304 1.408304  172.5293       3.696165  171.8028       5.206200  173.2675       5.248388  -0.5561066     2.816609  
1 1 1 17  1  22 o 91.78168 1.023575  84.22498       1.877132  86.56354       2.727139  82.11949       2.587679  2.415955       2.047151  
1 1 1 17  1  23 o 53.67246 0.6936515 28.75418       0.7434607 30.05622       1.088870  27.61707       1.017572  2.270180       1.387303  
1 1 1 17  1  24 o 57.29472 0.7245894 32.50773       0.8248631 35.81786       1.257597  30.00846       1.092760  5.064335       1.449179  
1 1 1 17  1  25 o 79.65019 0.9137874 63.45153       1.454613  61.96599       2.011287  65.08070       2.106265  -1.951065      1.827575  
1 1 1 17  1  26 o 48.05727 0.6631209 22.99045       0.6355179 21.55067       0.8598363 24.72403       0.9434938 -3.298729      1.326242  
1 1 1 17  1  27 o 56.49486 0.7230389 31.93352       0.8168093 31.47943       1.141826  32.40942       1.168937  -0.8219948     1.446078  
1 1 1 17  1  28 o 103.9785 1.145916  108.3555       2.382916  107.7487       3.351928  108.9754       3.388270  -0.5873337     2.291831  
1 1 1 17  1  29 o 29.09185 0.6152533 8.361545       0.3554628 7.197565       0.4748450 9.845273       0.5361133 -4.547966      1.230507  
1 1 1 17  1  30 o 19.96535 0.6898136 3.991808       0.2752558 4.045936       0.3837533 3.934452       0.3950326 0.2797489      1.379627  
1 1 1 17  1  31 o 113.6537 1.767228  130.1058       4.016999  130.0462       5.693317  130.1648       5.668552  -0.5570984E-01 3.534456  
1 1 1 17  1  32 o 8.894936 1.550690  0.8543743      0.2749206 0.9990094      0.3556091 0.6395066      0.4334325 1.834275       3.101381  
1 1 1 17  1  33 o 52.84956 0.7134241 27.83660       0.7520017 29.80938       1.115307  26.19213       1.018285  3.415203       1.426848  
1 1 1 17  1  34 o 18.41355 0.9970850 3.414169       0.3597036 3.470000       0.4662379 3.332073       0.5653703 0.3849487      1.994170  
1 1 1 17  1  35 o 55.93495 0.9401054 31.30945       1.030668  31.71785       1.633472  31.03931       1.328508  0.5735512      1.880211  
1 1 1 17  1  36 o 43.66751 0.6690829 18.94050       0.5818380 17.32522       0.7806576 20.95913       0.8727009 -4.153126      1.338166  
1 1 1 17  1  37 o 6.284449 1.518621  0.3250905      0.2436216 0.5649197      0.3498980 0.9942671E-01  0.3394074 2.293456       3.037241  
1 1 1 17  1  38 o 16.21320 1.179537  2.596142       0.3780924 2.348401       0.4913836 2.955675       0.5919592 -1.856034      2.359074  
1 1 1 17  1  39 o 17.23441 0.8526126 2.985233       0.2932865 3.130322       0.4091052 2.831821       0.4206764 0.8674526      1.705225  
1 1 1 17  1  40 o 39.10877 0.8183157 15.03063       0.6058257 14.41615       0.7381717 16.29855       1.060353  -2.363632      1.636631  
1 1 1 17  1  41 o 32.87881 0.6755772 10.81578       0.4438514 10.34265       0.6126916 11.33828       0.6438698 -1.510372      1.351154  
1 1 1 17  1  42 o 8.500856 1.594775  0.7595671      0.2753987 0.7871385      0.3742865 0.7270179      0.4066710 0.3013735      3.189551  
1 1 1 17  1  43 o 27.68529 0.7149393 7.684887       0.3953502 7.163960       0.5534908 8.227516       0.5649032 -1.919193      1.429879  
1 1 1 17  1  44 o 20.20127 0.8334635 4.098423       0.3365901 3.945533       0.4747778 4.252910       0.4772522 -0.7603531     1.666927  
1 1 1 17  1  45 o 20.57604 1.208486  4.639640       0.4397059 3.419223       0.7766708 5.215318       0.5334244 -4.424871      2.416972  
1 1 1 17  1  46 o 15.55499 1.271909  2.571557       0.3743889 3.011703       0.4870821 1.936072       0.5852696 3.485462       2.543817  
1 1 1 17  1  47 o 25.81674 0.9196733 6.867327       0.4605530 7.544151       0.6022605 5.914125       0.7147250 3.182384       1.839347  
1 1 1 17  1  48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  2  0  o 266.9017 3.404197  716.9969       17.23968  705.2199       29.35036  723.2004       21.30159  -3.578949      6.808395  
1 1 1 17  2  1  o 191.6897 2.849912  368.0767       10.92523  370.5035       15.55979  365.7169       15.34370  1.243729       5.699824  
1 1 1 17  2  2  o 67.65234 1.132876  45.45779       1.525576  49.04459       2.297906  42.63087       2.040023  4.737892       2.265753  
1 1 1 17  2  3  o 131.4879 1.721850  173.0409       4.267516  173.1037       5.225377  172.9151       7.395069  0.1019287      3.443701  
1 1 1 17  2  4  o 98.55835 1.081154  97.13696       2.130559  98.30777       3.055472  96.02896       2.972378  1.155312       2.162308  
1 1 1 17  2  5  o 204.6437 2.145479  418.6482       8.770370  407.3975       12.04967  431.3234       12.78975  -5.831650      4.290958  
1 1 1 17  2  6  o 90.51147 1.003213  81.70396       1.811904  85.36253       2.673595  78.59637       2.464051  3.735825       2.006426  
1 1 1 17  2  7  o 81.35124 0.9174854 66.02454       1.489853  63.62812       2.031606  68.81277       2.191396  -3.185204      1.834971  
1 1 1 17  2  8  o 180.0453 1.893643  324.3920       6.817149  328.5478       9.771715  320.4516       9.515210  2.243576       3.787285  
1 1 1 17  2  9  o 80.12534 0.9081689 64.18571       1.454796  63.16771       2.024121  65.27352       2.092360  -1.313431      1.816338  
1 1 1 17  2  10 o 202.9280 3.016001  412.7793       12.23630  406.8694       17.03582  419.0777       17.58680  -2.989960      6.032001  
1 1 1 17  2  11 o 106.2076 1.419172  112.3175       2.823879  111.3009       3.429629  114.4576       4.976048  -1.461517      2.838344  
1 1 1 17  2  12 o 209.6546 3.110731  440.9463       13.04205  444.7798       18.61592  437.2511       18.27722  1.782745       6.221462  
1 1 1 17  2  13 o 43.90013 0.8781027 19.26860       0.7706932 19.60281       1.108225  18.95559       1.072502  0.7367210      1.756205  
1 1 1 17  2  14 o 218.4836 2.817421  475.6508       11.48210  488.1578       20.43136  469.8774       13.88155  3.908844       5.634842  
1 1 1 17  2  15 o 122.7706 1.321551  150.8394       3.244830  151.6175       4.613122  150.0774       4.565022  0.6262207      2.643102  
1 1 1 17  2  16 o 29.65435 0.5985013 8.765779       0.3543648 8.204845       0.4853056 9.406440       0.5186495 -2.025646      1.197003  
1 1 1 17  2  17 o 46.83350 0.6470322 21.93709       0.6059904 21.80543       0.8497785 22.07332       0.8644085 -0.2858009     1.294064  
1 1 1 17  2  18 o 61.93513 0.7576059 38.37298       0.9384358 38.58455       1.331281  38.16402       1.323054  0.3393440      1.515212  
1 1 1 17  2  19 o 54.27253 0.7008730 29.05814       0.7544492 32.67041       1.162111  26.42655       0.9918967 5.749210       1.401746  
1 1 1 17  2  20 f 93.66019 1.040810  87.79899       1.949567  88.33250       2.772542  87.27721       2.741921  0.5623932      2.081619  
1 1 1 17  2  21 o 29.35065 0.5984126 8.506503       0.3486056 7.238651       0.4660744 10.11651       0.5252123 -4.901369      1.196825  
1 1 1 17  2  22 o 79.88440 0.9139627 63.86885       1.460220  63.68784       2.061034  64.05127       2.069114  -0.2272034     1.827925  
1 1 1 17  2  23 f 84.24463 0.9550707 70.64697       1.602329  66.95302       2.149327  75.26849       2.404084  -4.924919      1.910141  
1 1 1 17  2  24 f 61.07513 0.7556537 37.30721       0.9226908 38.11414       1.327173  36.55230       1.283678  1.277126       1.511307  
1 1 1 17  2  25 f 42.40073 0.6285335 17.93620       0.5322178 16.98476       0.7293180 19.02006       0.7784181 -2.398571      1.257067  
1 1 1 17  2  26 o 33.47257 0.6018922 11.19068       0.4025423 11.88221       0.5823154 10.55778       0.5570840 1.977573       1.203784  
1 1 1 17  2  27 o 89.02187 1.002725  79.33609       1.784660  78.01095       2.484199  80.74945       2.565546  -1.533577      2.005450  
1 1 1 17  2  28 o 43.17094 0.6414073 18.64664       0.5537393 18.95056       0.7902943 18.35353       0.7761095 0.6908989      1.282815  
1 1 1 17  2  29 o 44.56175 0.8173804 19.64940       0.6747767 20.50354       1.221155  19.27397       0.8096044 1.356335       1.634761  
1 1 1 17  2  30 o 34.50196 0.8914174 11.92209       0.6142104 11.94577       0.8935601 11.90088       0.8456665 0.6194305E-01  1.782835  
1 1 1 17  2  31 o 47.49709 0.6753666 22.57793       0.6414447 22.28850       0.8968903 22.88097       0.9177489 -0.6225281     1.350733  
1 1 1 17  2  32 o 28.92978 0.6304146 8.344258       0.3639852 7.692901       0.4979049 9.091895       0.5334356 -2.415895      1.260829  
1 1 1 17  2  33 o 40.65289 0.6528785 16.39496       0.5282713 14.96466       0.7064915 18.20881       0.7955978 -3.984097      1.305757  
1 1 1 17  2  34 o 62.19203 0.7826398 38.66562       0.9721436 40.33246       1.421086  37.19947       1.332795  2.511421       1.565280  
1 1 1 17  2  35 f 24.82782 0.7487714 6.002254       0.3634229 5.415574       0.4592008 6.985720       0.5945408 -3.150230      1.497543  
1 1 1 17  2  36 o 16.42790 1.156181  2.711591       0.3770058 2.710617       0.5032256 2.712837       0.5691785 0.2916336E-02  2.312362  
1 1 1 17  2  37 o 47.23077 0.9631160 22.31363       0.9068442 21.53343       1.225838  23.25673       1.347757  -1.808441      1.926232  
1 1 1 17  2  38 o 37.40839 0.6596915 14.01778       0.4935377 14.20641       0.7002053 13.83154       0.6957514 0.5006256      1.319383  
1 1 1 17  2  39 o 29.71238 0.6737516 8.844838       0.4003715 8.814280       0.5646917 8.875726       0.5677420 -0.1030979     1.347503  
1 1 1 17  2  40 o 17.49979 0.8520340 3.076098       0.2974780 3.343662       0.4226597 2.813447       0.4187621 1.514372       1.704068  
1 1 1 17  2  41 o 18.70445 0.8369189 3.501385       0.3126596 3.314288       0.4292023 3.712931       0.4563834 -1.061626      1.673838  
1 1 1 17  2  42 o 47.43110 0.7175360 22.53814       0.6803930 21.84111       0.9465376 23.28335       0.9787111 -1.516167      1.435072  
1 1 1 17  2  43 o 9.252991 1.533719  0.8970568      0.2798363 0.7495996      0.3854277 1.061438       0.4069450 -1.608285      3.067438  
1 1 1 17  2  44 o 20.80307 1.190604  4.364446       0.4799634 4.365776       0.7819734 4.363642       0.6079538 -0.3875732E-01 2.381208  
1 1 1 17  2  45 o 26.21463 0.9053466 6.903787       0.4545168 6.895419       0.5662960 6.918934       0.7619736 -0.6227493E-02 1.810693  
1 1 1 17  2  46 o 58.59846 0.8021051 34.38524       0.9385226 36.26517       1.375884  32.74936       1.283472  2.982471       1.604210  
1 1 1 17  2  47 f 40.22993 0.7295379 16.24393       0.5869470 16.13016       0.8244082 16.36088       0.8358468 -0.2846794     1.459076  
1 1 1 17  2  48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  3  0  o 48.99293 0.7949234 24.37063       0.7370796 25.18838       0.9143228 22.85278       1.245669  2.385616       1.589847  
1 1 1 17  3  1  o 112.7896 1.218459  127.0759       2.745390  123.7266       3.774724  130.8372       4.000217  -3.150032      2.436918  
1 1 1 17  3  2  o 220.4892 2.306100  485.3305       10.14397  467.9559       13.77559  505.9122       14.99310  -8.584503      4.612200  
1 1 1 17  3  3  o 97.86281 1.073245  95.74551       2.099802  97.59505       3.021114  94.01702       2.920575  1.827171       2.146490  
1 1 1 17  3  4  f 159.2908 1.682910  252.8742       5.342971  242.1823       7.206698  265.9240       7.961811  -7.441147      3.365820  
1 1 1 17  3  5  o 28.57763 0.5447932 8.159672       0.3111976 8.551708       0.4473260 7.791983       0.4332130 1.329161       1.089586  
1 1 1 17  3  6  o 269.1102 2.806362  725.3567       15.09836  714.4561       20.99981  737.0211       21.72317  -4.173767      5.612725  
1 1 1 17  3  7  o 143.3304 1.523514  205.5430       4.366895  204.0405       6.125160  207.0962       6.227559  -1.064453      3.047028  
1 1 1 17  3  8  o 146.1863 1.552410  213.1638       4.526760  222.8862       6.701402  205.0045       6.139102  6.107239       3.104820  
1 1 1 17  3  9  o 260.8955 2.722675  681.9781       14.20302  673.7494       19.81946  690.6652       20.36382  -3.226135      5.445350  
1 1 1 17  3  10 o 86.97547 0.9728116 75.65925       1.692053  76.39915       2.413327  74.94384       2.373031  0.8361816      1.945623  
1 1 1 17  3  11 o 149.2181 1.583437  222.7346       4.723618  226.4777       6.797774  219.2396       6.568532  2.421143       3.166873  
1 1 1 17  3  12 o 195.0057 2.217408  382.0409       8.603373  368.8623       12.70674  393.1962       11.69068  -6.267380      4.434816  
1 1 1 17  3  13 o 100.0427 1.337304  100.6413       2.548724  101.7754       3.165153  98.54967       4.298438  1.633118       2.674609  
1 1 1 17  3  14 o 138.4079 2.084198  191.3540       5.755362  199.8983       8.503433  184.1312       7.818286  5.673676       4.168396  
1 1 1 17  3  15 o 26.21441 0.7928984 6.796896       0.4133699 6.063745       0.5517436 7.734975       0.6241085 -3.186672      1.585797  
1 1 1 17  3  16 o 44.89279 0.7561758 20.33929       0.6556787 19.44913       1.064831  20.88292       0.8321481 -1.600136      1.512352  
1 1 1 17  3  17 o 111.0738 1.207389  123.4224       2.681159  125.5954       3.856665  121.3900       3.729971  1.889755       2.414778  
1 1 1 17  3  18 o 44.10813 0.6344644 19.06203       0.5533053 16.87888       0.7193048 22.22586       0.8659180 -6.059010      1.268929  
1 1 1 17  3  19 o 76.98622 0.8861997 59.25571       1.363710  60.68478       1.969844  57.94043       1.889801  1.780434       1.772399  
1 1 1 17  3  20 o 88.51825 0.9943710 77.96650       1.752659  73.84565       2.349197  83.13974       2.632132  -5.240959      1.988742  
1 1 1 17  3  21 o 78.59251 0.9025072 61.80186       1.418389  62.59240       2.027646  61.04433       1.984850  0.9835663      1.805014  
1 1 1 17  3  22 o 67.64842 0.8088291 45.11742       1.083252  41.31230       1.414810  50.50837       1.684015  -6.788795      1.617658  
1 1 1 17  3  23 o 39.27409 0.6095987 15.43095       0.4788111 15.24580       0.6748866 15.61861       0.6794184 -0.4745064     1.219197  
1 1 1 17  3  24 o 20.04851 0.6633086 4.002364       0.2641055 4.718350       0.3874085 3.380691       0.3609923 3.335253       1.326617  
1 1 1 17  3  25 o 55.21960 0.7102849 30.41040       0.7828947 28.90047       1.067077  32.17076       1.152174  -2.958164      1.420570  
1 1 1 17  3  26 f 65.90479 0.7980353 43.37516       1.050169  45.18642       1.539620  41.79927       1.436103  2.565300       1.596071  
1 1 1 17  3  27 o 63.15851 0.9659914 39.69035       1.133572  40.64825       2.031361  39.25717       1.366052  1.065487       1.931983  
1 1 1 17  3  28 o 88.11147 1.420700  77.71497       2.497921  80.87339       3.684045  75.02735       3.398407  3.291191       2.841400  
1 1 1 17  3  29 o 20.12772 0.9258894 4.530710       0.3317335 5.653556       0.4224893 2.725513       0.5356957 7.280350       1.851779  
1 1 1 17  3  30 f 56.82536 0.7316399 32.32545       0.8314781 32.07890       1.169257  32.57768       1.182632  -0.4381409     1.463280  
1 1 1 17  3  31 o 19.85560 0.7120648 3.901085       0.2802681 3.244684       0.3763467 4.718381       0.4199456 -3.708452      1.424130  
1 1 1 17  3  32 o 42.61421 0.6513054 18.08701       0.5536385 19.56859       0.8193441 16.84217       0.7510343 3.194851       1.302611  
1 1 1 17  3  33 o 50.96670 0.7021974 25.87075       0.7135547 27.86177       1.061404  24.22884       0.9638696 3.556927       1.404395  
1 1 1 17  3  34 f 23.78968 0.6816350 5.659830       0.3218516 6.656750       0.4669732 4.757719       0.4442131 3.989626       1.363270  
1 1 1 17  3  35 o 40.44407 0.6564569 16.37154       0.5308379 15.87183       0.7411911 16.89780       0.7606222 -1.266865      1.312914  
1 1 1 17  3  36 o 58.90303 0.9389610 34.47385       1.039147  33.85252       1.262937  35.77616       1.828426  -1.565258      1.877922  
1 1 1 17  3  37 o 11.99892 1.544508  1.609172       0.3434627 2.085431       0.4522966 0.9604551      0.5278734 4.816071       3.089015  
1 1 1 17  3  38 o 19.50754 0.8971820 3.927976       0.3400015 3.139237       0.5092794 4.562200       0.4566791 -3.653839      1.794364  
1 1 1 17  3  39 f 42.56882 0.6821322 18.15314       0.5806948 17.84556       0.8149732 18.47033       0.8276259 -0.7325478     1.364264  
1 1 1 17  3  40 o 10.65955 1.280902  1.160834       0.2668996 1.067805       0.3705012 1.261188       0.3848116 -1.062382      2.561805  
1 1 1 17  3  41 o 32.84504 0.8951567 10.91963       0.5377352 10.61025       0.9778035 11.05376       0.6438377 -0.7265625     1.790313  
1 1 1 17  3  42 o 9.482882 1.429116  0.9124420      0.2724342 0.5145912      0.3672168 1.399490       0.4063014 -4.603582      2.858231  
1 1 1 17  3  43 o 20.24255 1.299442  4.256731       0.5102784 3.450794       0.7719483 4.882186       0.6800426 -3.558784      2.598884  
1 1 1 17  3  44 o 6.414541 1.640976  0.3160062      0.2811204 0.1121902      0.3935977 0.5282504      0.4016533 -1.824684      3.281951  
1 1 1 17  3  45 o 26.70601 0.7667732 7.137189       0.4085222 7.890290       0.5941458 6.461892       0.5626180 2.668961       1.533546  
1 1 1 17  3  46 f 10.36130 1.546100  1.135445       0.3109691 1.319667       0.4399470 0.9515075      0.4396065 1.759487       3.092200  
1 1 1 17  3  47 o 43.30689 0.7368156 18.78320       0.6374056 20.05444       0.9255491 17.63636       0.8790991 2.783344       1.473631  
1 1 1 17  3  48 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  4  0  o 188.1846 1.976305  354.2488       7.434699  348.4249       10.32626  360.5169       10.71290  -3.206757      3.952609  
1 1 1 17  4  1  o 221.9709 2.321226  493.2155       10.30292  488.1110       14.40330  498.5642       14.74372  -2.348190      4.642452  
1 1 1 17  4  2  o 109.2467 1.184013  119.1757       2.583185  123.1324       3.778192  115.7024       3.539801  3.398186       2.368027  
1 1 1 17  4  3  o 80.69482 0.9114672 64.81062       1.465676  68.75384       2.188633  61.60426       1.973568  4.428291       1.822934  
1 1 1 17  4  4  o 98.49327 1.078701  97.02283       2.124624  96.14370       2.976242  97.93638       3.033933  -0.9094849     2.157401  
1 1 1 17  4  5  o 211.9073 2.219362  449.6219       9.405970  449.3456       13.29105  449.8990       13.31308  -0.1301270     4.438724  
1 1 1 17  4  6  o 135.7045 1.446275  184.2231       3.924645  186.1698       5.612886  182.3610       5.489737  1.401657       2.892549  
1 1 1 17  4  7  o 93.76919 1.038802  87.40972       1.938917  93.34837       2.918707  82.71889       2.594008  5.664536       2.077604  
1 1 1 17  4  8  f 131.7718 1.407619  173.6375       3.707824  170.7041       5.146867  176.8024       5.346116  -2.311020      2.815239  
1 1 1 17  4  9  o 177.7195 1.871061  315.7264       6.642395  325.0078       9.684093  307.4803       9.128077  4.919907       3.742122  
1 1 1 17  4  10 o 138.6556 1.481770  190.6158       4.076674  206.0269       6.252476  179.2197       5.376702  9.652084       2.963541  
1 1 1 17  4  11 f 126.5120 1.357134  159.6013       3.424159  167.1852       5.076982  153.2728       4.637755  5.491302       2.714268  
1 1 1 17  4  12 o 215.3081 2.256535  464.1603       9.711759  473.0441       14.01302  455.9493       13.47195  3.953720       4.513070  
1 1 1 17  4  13 o 116.1586 1.255053  135.0127       2.915627  135.6399       4.141739  134.3966       4.105143  0.5344925      2.510107  
1 1 1 17  4  14 o 109.1973 1.284981  119.5462       2.784093  117.5520       4.191902  121.1202       3.724088  -1.643387      2.569962  
1 1 1 17  4  15 o 159.6583 1.690694  255.0917       5.395726  260.1528       7.786572  250.4164       7.483847  3.040359       3.381387  
1 1 1 17  4  16 o 162.2730 2.230262  261.3369       6.991608  253.8827       8.755555  274.4550       11.61494  -6.212051      4.460524  
1 1 1 17  4  17 o 116.7225 1.777616  136.3126       4.144906  140.5259       6.040436  132.5634       5.698095  3.397163       3.555233  
1 1 1 17  4  18 o 95.25641 1.282091  91.44944       2.337932  88.71845       3.891479  92.99189       2.924562  -2.273613      2.564182  
1 1 1 17  4  19 o 123.2489 1.328916  151.9783       3.273257  148.6427       4.524178  155.6422       4.741644  -2.831207      2.657831  
1 1 1 17  4  20 o 59.59244 0.7419858 35.41687       0.8823720 33.91307       1.200173  37.18593       1.301729  -2.743568      1.483972  
1 1 1 17  4  21 o 100.7355 1.110393  101.1994       2.230235  96.82418       3.014820  106.4877       3.314493  -4.785011      2.220786  
1 1 1 17  4  22 o 27.55129 0.5995434 7.594027       0.3299657 8.097422       0.4703920 7.106371       0.4629802 1.798380       1.199087  
1 1 1 17  4  23 o 26.09261 0.6085327 6.811858       0.3166164 7.528912       0.4534776 6.129842       0.4422596 2.680666       1.217065  
1 1 1 17  4  24 f 42.86282 0.6293465 18.28998       0.5380727 19.70257       0.7970256 17.10702       0.7293672 3.025738       1.258693  
1 1 1 17  4  25 o 87.78798 1.226265  76.87821       2.008451  78.22417       3.565520  76.25263       2.430793  1.052834       2.452530  
1 1 1 17  4  26 f 34.77354 0.9068674 11.83239       0.6229119 13.97345       0.9787803 10.37487       0.8075653 5.165867       1.813735  
1 1 1 17  4  27 o 26.61611 0.7829181 7.402331       0.3886001 8.085816       0.4839463 6.161698       0.6520098 3.621964       1.565836  
1 1 1 17  4  28 o 49.09569 0.6739200 24.05246       0.6606418 25.41767       0.9687651 22.86566       0.9032490 2.596035       1.347840  
1 1 1 17  4  29 o 16.85081 0.7539696 2.845466       0.2536971 2.657824       0.3584658 3.033772       0.3590989 -1.115486      1.507939  
1 1 1 17  4  30 o 48.28487 0.6762391 23.27517       0.6520659 24.50442       0.9545564 22.19969       0.8928539 2.383343       1.352478  
1 1 1 17  4  31 f 67.21544 0.8167989 45.20267       1.097217  46.48697       1.589421  44.03345       1.516541  1.820030       1.633598  
1 1 1 17  4  32 o 77.76561 0.9104056 60.54891       1.414967  62.18799       2.048407  59.05305       1.956862  2.007668       1.820811  
1 1 1 17  4  33 o 19.60605 0.7188690 3.814372       0.2804057 3.340341       0.3778462 4.395470       0.4183465 -2.687788      1.437738  
1 1 1 17  4  34 o 7.840300 1.438534  0.6340490      0.2273268 0.5523303      0.3055767 0.7353213      0.3401768 -1.081096      2.877067  
1 1 1 17  4  35 o 31.12710 0.8313236 9.655885       0.5076698 9.433634       0.6535026 9.994145       0.8062181 -0.8850861     1.662647  
1 1 1 17  4  36 o 50.90973 0.7126944 25.96656       0.7256526 25.90313       1.023219  26.03075       1.029263  -0.1247826     1.425389  
1 1 1 17  4  37 o 46.11227 0.6888903 21.13237       0.6326540 19.41378       0.8489586 23.27874       0.9487519 -4.181416      1.377781  
1 1 1 17  4  38 o 41.12585 0.8285497 17.01872       0.6464508 17.14524       0.7984015 16.77789       1.101523  0.4826508      1.657099  
1 1 1 17  4  39 o 43.82018 0.9399046 18.94570       0.8132273 17.34500       1.053304  21.30807       1.279596  -4.489483      1.879809  
1 1 1 17  4  40 o 23.29062 0.7296677 5.416410       0.3391171 5.110828       0.4610255 5.776680       0.5005808 -1.424452      1.459335  
1 1 1 17  4  41 f 25.07379 0.7400600 6.267999       0.3690622 5.400896       0.5032482 7.277000       0.5428659 -3.736006      1.480120  
1 1 1 17  4  42 o 23.32125 1.182941  5.462598       0.5463450 5.594710       0.8374577 5.364707       0.7208786 0.4673748      2.365882  
1 1 1 17  4  43 o 35.73053 0.6956934 12.80053       0.4970437 12.75151       0.6951804 12.85179       0.7109362 -0.1381378     1.391387  
1 1 1 17  4  44 o 29.00460 0.7251845 8.436841       0.4202451 8.976442       0.6011547 7.921113       0.5877060 1.817072       1.450369  
1 1 1 17  4  45 o 24.44638 0.7850814 6.004626       0.3835060 6.172094       0.5363257 5.829405       0.5486014 0.7030506      1.570163  
1 1 1 17  4  46 o 37.02251 0.7062109 13.75483       0.5228749 13.89600       0.7377598 13.61236       0.7411654 0.3836555      1.412422  
1 1 1 17  4  47 f 14.58290 1.096662  2.132871       0.3189318 1.937515       0.4343221 2.361490       0.4698446 -1.444159      2.193324  
1 1 1 17  5  0  o 138.8417 1.477032  192.4367       4.093770  199.6120       6.014479  186.2430       5.587952  4.809204       2.954064  
1 1 1 17  5  1  o 137.5950 1.464236  189.4226       4.029425  189.3421       5.693363  189.5034       5.703586  -0.5850220E-01 2.928472  
1 1 1 17  5  2  o 82.72476 0.9276862 68.23885       1.531304  71.41490       2.260480  65.54523       2.081729  3.546242       1.855372  
1 1 1 17  5  3  o 38.60707 0.5647500 14.86002       0.4353105 14.12808       0.5946230 15.70532       0.6390154 -2.042454      1.129500  
1 1 1 17  5  4  o 101.9243 1.111902  103.2861       2.255549  97.91697       3.016008  110.1000       3.397642  -5.972610      2.223803  
1 1 1 17  5  5  o 175.4229 1.846767  308.0062       6.479162  309.1403       9.199659  306.8901       9.126614  0.6400757      3.693534  
1 1 1 17  5  6  o 77.71171 0.8853264 59.34071       1.358016  54.25646       1.757127  66.88232       2.140040  -8.120148      1.770653  
1 1 1 17  5  7  o 324.3961 3.379945  1055.237       21.91741  1074.400       31.61040  1037.494       30.41590  5.646484       6.759890  
1 1 1 17  5  8  o 241.8911 2.527394  586.0175       12.22280  594.8628       17.56606  577.7153       17.01824  3.529465       5.054788  
1 1 1 17  5  9  o 41.74908 0.6067844 17.26262       0.5041740 19.38818       0.7584379 15.57963       0.6748747 4.560661       1.213569  
1 1 1 17  5  10 o 37.07497 0.5818655 13.52054       0.4278823 15.88648       0.6553280 11.76236       0.5649210 5.561249       1.163731  
1 1 1 17  5  11 o 96.24884 1.065091  91.67024       2.032938  85.44494       2.673667  100.2018       3.129974  -7.659782      2.130181  
1 1 1 17  5  12 o 133.9511 1.431625  179.4504       3.833073  176.1064       5.312065  183.0827       5.536462  -2.599457      2.863250  
1 1 1 17  5  13 o 194.6429 2.045327  379.5590       7.962142  380.1599       11.27774  378.9618       11.24268  0.3066559      4.090655  
1 1 1 17  5  14 o 105.3763 1.151310  110.8736       2.422177  107.3475       3.310043  114.9382       3.553891  -3.597061      2.302621  
1 1 1 17  5  15 o 46.72527 0.6473965 21.34942       0.5970799 18.93213       0.7719178 24.94986       0.9420725 -6.437431      1.294793  
1 1 1 17  5  16 f 101.9876 1.600698  104.0446       3.261805  107.0284       4.741717  101.3645       4.494022  2.768219       3.201395  
1 1 1 17  5  17 o 124.4031 1.338974  154.6487       3.326312  160.0699       4.869568  149.9066       4.554458  4.074867       2.677948  
1 1 1 17  5  18 o 59.03786 0.8843250 34.97631       0.9951956 35.21212       1.235273  34.54018       1.679956  0.5794907      1.768650  
1 1 1 17  5  19 o 112.7572 1.722955  127.3310       3.881830  124.4203       5.352162  130.5616       5.638494  -2.707947      3.445910  
1 1 1 17  5  20 o 48.27016 0.8206208 23.42632       0.7875216 22.07746       1.158218  24.58614       1.073992  -2.600899      1.641242  
1 1 1 17  5  21 o 69.37889 0.8226045 48.13244       1.140791  47.16927       1.581708  49.17666       1.646911  -1.444740      1.645209  
1 1 1 17  5  22 o 101.1100 1.115029  102.0964       2.249794  98.30301       3.061064  106.5529       3.317799  -4.067383      2.230059  
1 1 1 17  5  23 o 84.69353 1.195663  71.03724       1.872289  74.01764       3.399188  69.73923       2.243246  2.463913       2.391326  
1 1 1 17  5  24 o 23.90232 1.019637  5.718666       0.4866980 6.161634       0.6971014 5.297395       0.6798141 1.806999       2.039274  
1 1 1 17  5  25 o 69.72365 1.026095  49.48088       1.371887  51.68741       1.733360  45.78111       2.244506  4.262695       2.052191  
1 1 1 17  5  26 o 59.19035 0.7449467 34.89503       0.8791820 32.97672       1.187947  37.21821       1.307308  -3.578014      1.489893  
1 1 1 17  5  27 f 31.21035 0.6082891 9.707005       0.3788036 10.66570       0.5548118 8.869848       0.5184528 2.875654       1.216578  
1 1 1 17  5  28 o 57.14631 0.7316196 32.68979       0.8361599 32.47134       1.176697  32.91262       1.188408  -0.3854904     1.463239  
1 1 1 17  5  29 o 39.08755 0.6334924 15.12922       0.4925982 17.08805       0.7430413 13.59326       0.6579689 4.466629       1.266985  
1 1 1 17  5  30 o 69.55020 0.8351737 48.38179       1.160627  46.96117       1.599446  49.96180       1.686784  -2.151237      1.670347  
1 1 1 17  5  31 o 44.63446 0.6647490 19.59213       0.5878823 22.73461       0.9094626 17.33664       0.7704945 6.038734       1.329498  
1 1 1 17  5  32 o 65.65706 0.8068036 43.10942       1.058141  41.68740       1.453117  44.71462       1.543878  -2.298019      1.613607  
1 1 1 17  5  33 o 36.60966 0.6421632 13.41968       0.4701689 13.52195       0.6638425 13.31675       0.6660011 0.2803917      1.284326  
1 1 1 17  5  34 o 44.95165 0.9139308 19.62768       0.8044741 17.34973       1.018887  23.39858       1.310921  -6.697697      1.827862  
1 1 1 17  5  35 o 57.20312 0.7522816 32.76197       0.8602665 31.98096       1.194764  33.60279       1.239680  -1.413414      1.504563  
1 1 1 17  5  36 o 52.98608 0.7270568 27.99364       0.7682789 29.96723       1.140443  26.35374       1.039570  3.400036       1.454114  
1 1 1 17  5  37 o 33.91317 0.6578524 11.51185       0.4460227 11.19655       0.6204111 11.84912       0.6416686 -0.9601784     1.315705  
1 1 1 17  5  38 o 61.64734 0.7913703 38.09797       0.9756329 38.42415       1.390886  37.78203       1.368883  0.5182571      1.582741  
1 1 1 17  5  39 o 33.42966 0.7403163 11.02569       0.4833480 10.43091       0.6130684 12.00267       0.7857365 -2.330627      1.480633  
1 1 1 17  5  40 f 48.33653 1.414961  0.000000       0.000000  ?              ?         23.48022       1.367886  ?              ?         
1 1 1 17  5  41 f 20.03132 1.059203  3.923914       0.4121670 3.601244       0.5157590 4.494164       0.6856467 -2.196835      2.118406  
1 1 1 17  5  42 f 55.88102 0.7689996 31.32681       0.8594357 31.57846       1.217447  31.07683       1.213414  0.4482422      1.537999  
1 1 1 17  5  43 o 15.00267 1.031872  2.263747       0.3090490 2.082746       0.4318494 2.453758       0.4424664 -1.234279      2.063744  
1 1 1 17  5  44 o 26.24640 0.7491434 6.907131       0.3930275 6.598934       0.5475792 7.234616       0.5644544 -1.208168      1.498287  
1 1 1 17  5  45 o 34.56773 0.7096292 11.98193       0.4904775 12.33377       0.7024281 11.64717       0.6851736 0.9903336      1.419258  
1 1 1 17  5  46 o 4.818834 1.479192  -0.1494088     0.2841231 0.1453732      0.3844330 -0.5042484     0.4217803 1.492885       2.958384  
1 1 1 17  5  47 o 44.51521 0.8107173 20.06261       0.7127205 21.05197       0.9504679 18.79164       1.077278  2.563839       1.621435  
1 1 1 17  6  0  o 198.5803 2.083277  394.2825       8.265355  384.7356       11.38231  404.9324       12.02185  -5.073532      4.166555  
1 1 1 17  6  1  o 116.8180 1.258245  136.1185       2.932858  142.1462       4.329401  131.0064       3.987090  4.764130       2.516489  
1 1 1 17  6  2  o 98.49847 1.077958  96.84459       2.120092  100.4765       3.107067  93.68027       2.900142  3.447899       2.155916  
1 1 1 17  6  3  o 160.9175 1.699896  258.6138       5.461396  250.7184       7.465342  267.7048       8.010614  -5.269333      3.399792  
1 1 1 17  6  4  o 21.69996 0.5096548 4.688284       0.2206773 4.391875       0.3000301 5.037629       0.3257203 -1.487787      1.019310  
1 1 1 17  6  5  o 113.9100 1.230770  128.1411       2.774797  119.0081       3.623944  141.0830       4.313939  -9.681122      2.461540  
1 1 1 17  6  6  o 104.8662 1.142189  109.6614       2.389419  105.4123       3.242667  114.7095       3.534454  -4.429390      2.284378  
1 1 1 17  6  7  o 189.7826 1.993498  360.5923       7.566226  358.6097       10.63514  362.6241       10.76659  -1.054794      3.986996  
1 1 1 17  6  8  o 235.5383 2.462338  555.8527       11.59948  555.3704       16.38775  556.3369       16.42059  -0.2042389     4.924676  
1 1 1 17  6  9  o 19.72401 0.5653395 3.901269       0.2218056 4.400346       0.3153399 3.412560       0.3120471 2.503998       1.130679  
1 1 1 17  6  10 o 78.36224 0.8935517 60.72616       1.388611  56.39011       1.825966  66.67314       2.138425  -6.557671      1.787103  
1 1 1 17  6  11 o 128.2493 1.374451  164.5851       3.525158  165.8816       5.024269  163.3279       4.947275  0.9941177      2.748901  
1 1 1 17  6  12 o 91.38017 1.017539  81.84723       1.830547  74.61348       2.351478  92.97372       2.916340  -10.03717      2.035078  
1 1 1 17  6  13 f 33.81597 0.5741456 11.41888       0.3879044 11.05733       0.5339555 11.82295       0.5644752 -1.131760      1.148291  
1 1 1 17  6  14 f 137.8324 1.471328  190.0601       4.053744  193.8347       5.849539  186.5723       5.622896  2.628540       2.942656  
1 1 1 17  6  15 o 25.67828 0.5870357 6.412345       0.2972749 5.388325       0.3850337 7.923656       0.4677581 -4.935715      1.174071  
1 1 1 17  6  16 o 133.5624 1.429652  178.4075       3.815169  183.2928       5.545876  174.0184       5.256661  3.462433       2.859304  
1 1 1 17  6  17 o 25.17322 0.5998334 6.333931       0.3004306 7.242634       0.4335775 5.494706       0.4166727 3.471544       1.199667  
1 1 1 17  6  18 o 131.9726 1.415148  174.3376       3.733168  177.9207       5.387971  171.0292       5.177322  2.602173       2.830296  
1 1 1 17  6  19 o 44.09556 0.6344793 19.14353       0.5543317 17.27932       0.7258610 21.75220       0.8586501 -5.069031      1.268959  
1 1 1 17  6  20 o 110.0455 1.465853  121.1220       3.039745  120.6625       3.717455  122.0491       5.280530  -0.5518646     2.931706  
1 1 1 17  6  21 o 117.6903 2.540589  0.000000       0.000000  ?              ?         139.0152       5.980052  ?              ?         
1 1 1 17  6  22 o 57.53082 2.143842  0.000000       0.000000  ?              ?         33.19399       2.466740  ?              ?         
1 1 1 17  6  23 o 46.48315 0.8345701 21.17381       0.7089325 20.54439       0.8395882 22.73732       1.323270  -2.340210      1.669140  
1 1 1 17  6  24 o 26.55484 0.6067413 7.062400       0.3218894 7.382783       0.4528707 6.735280       0.4576070 1.219330       1.213483  
1 1 1 17  6  25 o 37.76928 0.6193664 14.24154       0.4672001 15.33508       0.6775125 13.25006       0.6451185 2.759109       1.238733  
1 1 1 17  6  26 o 114.8869 1.254163  132.1829       2.879309  135.6784       4.176782  129.0176       3.974649  2.884315       2.508326  
1 1 1 17  6  27 o 75.10020 0.8821369 56.45941       1.324626  55.52628       1.847623  57.44627       1.900085  -1.275238      1.764274  
1 1 1 17  6  28 o 28.54422 0.6162493 8.134380       0.3511191 8.888247       0.5092228 7.451115       0.4847923 2.516325       1.232499  
1 1 1 17  6  29 o 29.20375 0.6210558 8.528636       0.3622603 9.163908       0.5200081 7.929622       0.5049505 2.112526       1.242112  
1 1 1 17  6  30 o 42.66163 0.6528301 17.94268       0.5527079 20.70490       0.8466464 15.89121       0.7296351 5.635307       1.305660  
1 1 1 17  6  31 f 6.838119 1.436580  0.4738893      0.2200126 0.6386589      0.2990637 0.2795174      0.3248194 1.958722       2.873159  
1 1 1 17  6  32 o 42.63425 0.6586733 17.87852       0.5565493 20.86448       0.8588904 15.71729       0.7307134 6.027718       1.317347  
1 1 1 17  6  33 o 40.93710 0.8719139 16.79427       0.7127715 16.74264       0.9804389 16.85216       1.038049  -0.1283493     1.743828  
1 1 1 17  6  34 o 13.62718 0.9433142 1.849727       0.2555602 1.586576       0.3473051 2.160462       0.3774013 -2.102339      1.886628  
1 1 1 17  6  35 o 41.27208 0.6632074 17.05298       0.5472763 16.74525       0.7626790 17.37963       0.7857684 -0.7665710     1.326415  
1 1 1 17  6  36 o 42.21292 0.6699494 17.84728       0.5655026 17.71955       0.7909015 17.98089       0.8088846 -0.3079109     1.339899  
1 1 1 17  6  37 f 59.99048 0.7766850 36.06670       0.9317432 36.64737       1.331333  35.50925       1.304446  0.9456177      1.553370  
1 1 1 17  6  38 f 13.12939 1.065319  1.747172       0.2772246 1.946042       0.3838010 1.530226       0.4008649 1.586191       2.130638  
1 1 1 17  6  39 f 9.769225 2.022819  0.8888261      0.4355966 1.496762       0.6878421 0.4817708      0.5628424 4.227389       4.045638  
1 1 1 17  6  40 o 48.58858 0.7230396 23.60819       0.7015754 22.56109       0.9605361 24.80561       1.027167  -2.301235      1.446079  
1 1 1 17  6  41 o 46.10255 0.9579356 21.32201       0.8796366 21.01272       1.187374  21.69825       1.309572  -0.7223549     1.915871  
1 1 1 17  6  42 o 23.99301 0.7762477 5.769163       0.3719286 5.338097       0.5171322 6.231071       0.5353117 -1.858126      1.552495  
1 1 1 17  6  43 f 16.05685 1.402550  2.613378       0.3914327 2.597971       0.7759123 2.618638       0.4533499 -0.1561480     2.805100  
1 1 1 17  6  44 o 25.64754 0.7490807 6.593395       0.3839954 6.389645       0.5315577 6.815771       0.5553246 -0.8268089     1.498161  
1 1 1 17  6  45 o 31.02195 0.7159059 9.654789       0.4440039 9.611106       0.6187249 9.701166       0.6375299 -0.1420231     1.431812  
1 1 1 17  6  46 o 58.82527 0.8029873 34.74479       0.9444153 35.47348       1.356828  34.05998       1.315348  1.193047       1.605975  
1 1 1 17  6  47 o 7.511513 2.950020  0.000000       0.000000  ?              ?         0.3581916      0.6464635 ?              ?         
1 1 1 17  7  0  o 63.50172 0.7550156 40.16803       0.9563625 42.51917       1.416787  38.19997       1.296240  3.400017       1.510031  
1 1 1 17  7  1  o 96.02512 1.517172  92.26021       2.913664  92.89458       4.137623  91.63619       4.103672  0.6547699      3.034343  
1 1 1 17  7  2  f 177.1622 2.649134  314.1902       9.379794  321.2787       13.57700  307.7177       12.97363  3.811981       5.298268  
1 1 1 17  7  3  o 18.99058 1.107015  3.566489       0.4172734 3.018444       0.5602290 4.249360       0.6253552 -3.240147      2.214031  
1 1 1 17  7  4  o 109.4635 1.698016  119.7783       3.713726  116.8650       5.116916  123.0210       5.398384  -2.806984      3.396032  
1 1 1 17  7  5  o 69.07090 1.005714  48.21319       1.311052  49.24971       1.616259  46.21905       2.241810  2.200455       2.011428  
1 1 1 17  7  6  o 82.74301 0.9311396 67.94542       1.531957  73.32432       2.323060  63.80613       2.037873  5.748741       1.862279  
1 1 1 17  7  7  o 155.0265 1.643759  240.0845       5.088584  248.3493       7.450261  232.8577       6.966737  4.987381       3.287519  
1 1 1 17  7  8  o 54.89655 0.6883454 29.97603       0.7529333 28.33316       1.012882  32.00503       1.125638  -3.343433      1.376691  
1 1 1 17  7  9  o 82.38647 0.9291469 67.82918       1.529763  66.30765       2.113251  69.50426       2.217322  -1.938774      1.858294  
1 1 1 17  7  10 o 13.25424 0.6410041 1.746443       0.1694073 1.601691       0.2295503 1.919574       0.2510463 -1.198982      1.282008  
1 1 1 17  7  11 o 106.9397 1.165461  113.5247       2.476723  106.9588       3.286776  122.1516       3.767453  -7.094749      2.330921  
1 1 1 17  7  12 o 72.47668 0.8408232 52.37716       1.215827  50.27574       1.651180  54.86593       1.796929  -3.164673      1.681646  
1 1 1 17  7  13 o 106.5359 1.162363  112.9060       2.465221  120.2972       3.707431  107.0479       3.300620  6.209846       2.324726  
1 1 1 17  7  14 o 123.1760 1.326035  151.8624       3.266422  150.8251       4.583089  152.9333       4.656626  -0.8538055     2.652070  
1 1 1 17  7  15 o 105.2850 1.151084  110.9430       2.423835  111.0839       3.431351  110.8027       3.424300  0.1333923      2.302168  
1 1 1 17  7  16 o 125.9666 1.354374  158.8801       3.412115  158.8883       4.822679  158.8718       4.828242  0.6698608E-02  2.708748  
1 1 1 17  7  17 o 59.34789 0.7360039 35.22769       0.8734875 35.85864       1.247549  34.62093       1.223401  1.042255       1.472008  
1 1 1 17  7  18 o 122.9686 1.326972  151.4218       3.262991  153.1973       4.665615  149.7221       4.565156  1.408760       2.653945  
1 1 1 17  7  19 o 87.80983 1.421582  77.25537       2.496575  77.14923       3.528142  77.36182       3.533244  -0.1208038     2.843163  
1 1 1 17  7  20 f 60.88609 1.105050  36.69949       1.336115  40.64658       2.043620  33.75268       1.765784  5.649708       2.210099  
1 1 1 17  7  21 o 31.20679 0.7944425 9.514623       0.4355882 9.272775       0.5037198 10.23165       0.8673346 -1.523989      1.588885  
1 1 1 17  7  22 o 113.7493 1.503209  130.7614       3.274458  133.3226       4.101291  126.2583       5.438111  3.196014       3.006417  
1 1 1 17  7  23 o 34.08254 0.7734586 11.47602       0.5231341 10.47148       0.6892948 12.84061       0.8033885 -3.471245      1.546917  
1 1 1 17  7  24 o 62.19886 0.9332383 37.13471       1.065055  42.75470       2.003250  34.92015       1.257511  6.261349       1.866477  
1 1 1 17  7  25 o 96.19254 1.073086  92.61376       2.062987  90.61260       2.853358  94.80554       2.986179  -2.171547      2.146172  
1 1 1 17  7  26 o 65.28302 0.8012004 42.64081       1.045663  43.51875       1.505387  41.82230       1.453556  1.296753       1.602401  
1 1 1 17  7  27 f 20.03586 0.6892824 4.000193       0.2742965 3.874045       0.3645244 4.164858       0.4164729 -0.7232285     1.378565  
1 1 1 17  7  28 o 61.27888 0.7676258 37.52463       0.9395990 36.25031       1.289882  38.96522       1.371454  -2.210758      1.535252  
1 1 1 17  7  29 o 41.75083 0.6452375 17.43456       0.5385762 16.92316       0.7494630 17.98067       0.7744764 -1.265160      1.290475  
1 1 1 17  7  30 f 41.33205 0.6459742 17.09990       0.5339606 17.34885       0.7581694 16.85489       0.7521356 0.5971985      1.291948  
1 1 1 17  7  31 o 36.93111 0.6428355 13.63136       0.4743691 14.44072       0.6862668 12.89080       0.6564448 2.096508       1.285671  
1 1 1 17  7  32 o 45.51294 0.6749698 20.69274       0.6135744 19.79265       0.8415461 21.71425       0.8965102 -2.107151      1.349940  
1 1 1 17  7  33 o 25.54520 0.6612228 6.497899       0.3367724 6.071604       0.4549364 7.014709       0.5009125 -1.842533      1.322446  
1 1 1 17  7  34 o 7.097060 1.424349  0.4778119      0.2244104 0.2292568      0.2997464 0.7948018      0.3385051 -3.233217      2.848698  
1 1 1 17  7  35 o 32.14849 0.6480591 10.36015       0.4163212 10.65039       0.5824001 10.05686       0.5953476 0.9242172      1.296118  
1 1 1 17  7  36 f 25.55473 0.6705891 6.484973       0.3412186 5.805539       0.4592777 7.322027       0.5097750 -2.962502      1.341178  
1 1 1 17  7  37 o 38.15805 0.8892720 14.82234       0.6172057 14.08630       1.126462  15.13810       0.7378134 -1.427162      1.778544  
1 1 1 17  7  38 o 26.66872 0.9222525 6.797241       0.4717004 6.029131       0.5771680 8.342195       0.8185561 -4.302429      1.844505  
1 1 1 17  7  39 o 34.46728 0.6736519 11.86657       0.4634084 11.31563       0.6308982 12.51208       0.6829036 -1.729568      1.347304  
1 1 1 17  7  40 f 41.27140 0.6867343 16.94720       0.5646790 15.58081       0.7596772 18.63431       0.8441371 -3.689049      1.373469  
1 1 1 17  7  41 o 10.94655 1.237678  1.197788       0.2696230 1.108942       0.3600431 1.311230       0.4068401 -0.9131737     2.475357  
1 1 1 17  7  42 f 28.10064 0.9289923 7.620922       0.5085971 6.634418       0.6372120 9.352506       0.8442211 -4.797859      1.857985  
1 1 1 17  7  43 o 37.78160 0.7991870 14.16301       0.5885414 15.06853       0.9579334 13.61395       0.7459283 1.887474       1.598374  
1 1 1 17  7  44 o 5.131934 1.566273  -0.3208357E-01 0.2893561 0.8681272E-02  0.3737184 -0.9309909E-01 0.4572163 -0.2287388     3.132546  
1 1 1 17  7  45 o 22.56763 0.8069882 5.103487       0.3634313 4.944739       0.4948490 5.289383       0.5354928 -0.7556744     1.613976  
1 1 1 17  7  46 o 35.35006 0.7225720 12.54235       0.5108015 12.59561       0.7178949 12.48774       0.7269552 0.1541748      1.445144  
1 1 1 17  7  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  8  0  o 143.2135 2.169765  204.8678       6.202187  198.0023       8.454504  212.8679       9.126414  -5.175766      4.339529  
1 1 1 17  8  1  o 121.8671 1.871059  148.6286       4.559603  150.4283       6.522944  146.9091       6.376070  1.441124       3.742117  
1 1 1 17  8  2  o 165.9041 2.491110  275.7402       8.265695  276.0985       11.70184  275.3835       11.67712  0.2148743      4.982221  
1 1 1 17  8  3  o 198.1272 2.953891  393.4741       11.70231  389.1190       16.34505  398.0543       16.76196  -2.241852      5.907782  
1 1 1 17  8  4  o 115.0186 1.779307  132.3711       4.091908  134.4681       5.872202  130.3918       5.705080  1.768761       3.558615  
1 1 1 17  8  5  o 47.56515 0.9787129 22.60816       0.9305058 21.96484       1.289191  23.30778       1.344413  -1.411072      1.957426  
1 1 1 17  8  6  o 104.6260 1.638616  109.5611       3.428789  109.2539       4.833690  109.8723       4.864538  -0.2949524     3.277233  
1 1 1 17  8  7  o 227.5809 3.385544  519.6144       15.40029  530.2380       22.24985  509.8444       21.33739  4.442596       6.771088  
1 1 1 17  8  8  o 127.5696 1.954358  162.8214       4.982408  166.6008       7.219689  159.3848       6.884624  2.819588       3.908715  
1 1 1 17  8  9  o 37.86084 0.5718191 14.11680       0.4296592 16.42571       0.6567453 12.38908       0.5681068 5.330139       1.143638  
1 1 1 17  8  10 o 168.7121 1.784373  284.9841       6.019979  282.0595       8.424907  288.0351       8.605025  -1.765884      3.568747  
1 1 1 17  8  11 o 42.12970 0.6003371 17.60879       0.5033184 16.37735       0.6720092 19.18221       0.7596139 -3.327976      1.200674  
1 1 1 17  8  12 f 152.1494 1.615085  231.7383       4.913609  229.0036       6.863183  234.6138       7.037894  -1.838593      3.230170  
1 1 1 17  8  13 o 80.83804 0.9193103 65.37195       1.486191  66.01035       2.117882  64.75259       2.086063  0.7773514      1.838621  
1 1 1 17  8  14 o 20.75315 0.5774560 4.325789       0.2382219 4.871027       0.3366954 3.779247       0.3370983 2.630400       1.154912  
1 1 1 17  8  15 o 127.5726 1.370899  162.9395       3.497378  161.6141       4.901705  164.3140       4.991598  -1.055176      2.741797  
1 1 1 17  8  16 o 87.47162 0.9823875 76.20126       1.712097  72.58587       2.303481  80.66394       2.559200  -4.610481      1.964775  
1 1 1 17  8  17 o 117.9977 1.827388  139.4584       4.307820  143.6082       6.271742  135.7520       5.927202  3.308968       3.654777  
1 1 1 17  8  18 o 67.11914 1.177268  44.99443       1.577706  43.20941       2.156456  47.05038       2.314327  -2.855034      2.354536  
1 1 1 17  8  19 o 109.4040 1.485669  118.3023       2.992823  115.7930       3.571726  124.2167       5.483447  -3.747322      2.971338  
1 1 1 17  8  20 o 55.14645 1.056967  30.45241       1.165758  30.46783       1.650152  30.43704       1.647112  0.2777481E-01  2.113933  
1 1 1 17  8  21 o 61.05826 0.7546955 36.89055       0.9145875 34.11589       1.206177  40.64370       1.402828  -5.338821      1.509391  
1 1 1 17  8  22 o 24.64252 0.6076863 5.955630       0.2965261 5.116352       0.3891778 7.117188       0.4578423 -4.057714      1.215373  
1 1 1 17  8  23 o 16.60462 0.7324547 2.841017       0.2352164 3.543036       0.3254487 2.073269       0.3403435 4.426332       1.464909  
1 1 1 17  8  24 o 73.86974 1.044856  55.04752       1.483976  56.11329       1.867919  53.22382       2.443466  1.988205       2.089712  
1 1 1 17  8  25 o 87.73337 1.381430  76.74304       2.413179  82.08810       3.626002  72.49337       3.233179  5.436180       2.762859  
1 1 1 17  8  26 o 37.74684 0.7117230 14.38514       0.5291204 13.48541       0.8081135 15.06032       0.7000457 -2.091320      1.423446  
1 1 1 17  8  27 o 22.78650 0.6603892 5.187937       0.3003972 5.061682       0.4104564 5.333560       0.4408183 -0.5951748     1.320778  
1 1 1 17  8  28 o 43.56445 0.6619694 18.81939       0.5740672 21.15625       0.8615548 16.95345       0.7698677 4.818981       1.323939  
1 1 1 17  8  29 f 70.19278 0.8432044 49.31020       1.183050  48.12449       1.639322  50.59888       1.709026  -1.757607      1.686409  
1 1 1 17  8  30 o 47.42832 0.8020963 22.89941       0.7403329 24.35175       0.9613848 20.78328       1.160468  3.776630       1.604193  
1 1 1 17  8  31 o 74.23520 0.8822922 55.23436       1.309941  55.19350       1.850779  55.27539       1.854299  -0.5483246E-01 1.764584  
1 1 1 17  8  32 o 22.81704 0.6924044 5.242470       0.3142107 5.715714       0.4367761 4.734863       0.4523552 2.150543       1.384809  
1 1 1 17  8  33 o 32.49944 0.6420573 10.56100       0.4170069 10.05043       0.5777656 11.11620       0.6024844 -1.637806      1.284115  
1 1 1 17  8  34 o 39.33986 0.6528097 15.48376       0.5133532 16.13669       0.7394269 14.87622       0.7132621 1.599842       1.305619  
1 1 1 17  8  35 o 62.75589 0.7966524 39.46376       0.9996213 38.86677       1.394089  40.09552       1.434116  -0.9746819     1.593305  
1 1 1 17  8  36 o 64.23497 1.190145  41.48879       1.528073  41.68270       2.201485  41.30851       2.122712  0.2779999      2.380290  
1 1 1 17  8  37 o 19.90843 0.8392683 3.712677       0.3228640 2.815819       0.4023922 5.333554       0.5409570 -6.306229      1.678537  
1 1 1 17  8  38 o 28.71857 0.6742620 8.260768       0.3868269 8.182831       0.5332119 8.347358       0.5620374 -0.2832737     1.348524  
1 1 1 17  8  39 o 22.20234 0.7553684 4.884618       0.3330752 4.185145       0.4462155 5.764732       0.5005282 -3.550047      1.510737  
1 1 1 17  8  40 f 18.95439 0.8264701 3.581474       0.3122643 3.294796       0.4217308 3.929383       0.4645908 -1.667648      1.652940  
1 1 1 17  8  41 o 31.36260 0.6955480 9.808792       0.4350801 9.095303       0.5898175 10.66042       0.6443901 -2.487810      1.391096  
1 1 1 17  8  42 o 13.65583 1.096985  1.836997       0.2940415 1.402885       0.3881935 2.421324       0.4503757 -3.715147      2.193971  
1 1 1 17  8  43 o 28.19199 0.8948168 7.936370       0.4920759 7.761220       0.6266789 8.218005       0.7946618 -0.7768784     1.789634  
1 1 1 17  8  44 o 24.68830 0.8632135 6.152637       0.4201747 5.948902       0.6453320 6.302566       0.5535946 -0.7342930     1.726427  
1 1 1 17  8  45 o 29.86395 0.7291469 8.945564       0.4346573 8.848312       0.5949458 9.056896       0.6365584 -0.3415890     1.458294  
1 1 1 17  8  46 o 32.43822 0.9141713 10.63855       0.5803089 10.86309       0.7515792 10.30706       0.9131857 0.8930550      1.828343  
1 1 1 17  9  0  o 133.1079 2.031240  176.9189       5.395901  184.3832       7.950458  170.5444       7.347118  5.185349       4.062481  
1 1 1 17  9  1  o 142.2803 2.159908  202.5949       6.143189  206.6720       8.858109  198.8170       8.526915  2.752655       4.319816  
1 1 1 17  9  2  o 225.0503 3.347406  507.2406       15.04091  492.0896       20.56484  524.6676       22.05543  -7.182892      6.694811  
1 1 1 17  9  3  o 254.8320 3.781154  652.3297       19.27038  655.6274       27.40155  649.1027       27.10574  1.267548       7.562307  
1 1 1 17  9  4  f 357.8205 5.303415  1290.776       37.91622  1261.236       52.25891  1323.611       55.09685  -8.540527      10.60683  
1 1 1 17  9  5  o 75.86983 1.275429  57.48351       1.932818  59.70682       2.822516  55.52034       2.652256  2.756340       2.550858  
1 1 1 17  9  6  o 163.9094 2.467952  268.9360       8.082211  262.4414       11.13350  276.1716       11.75146  -4.168610      4.935904  
1 1 1 17  9  7  o 120.5682 1.859349  145.5212       4.482498  147.5592       6.424684  143.5881       6.257057  1.642433       3.718698  
1 1 1 17  9  8  o 114.5266 1.777324  130.0947       4.040015  121.8974       5.332478  141.1397       6.189785  -8.377594      3.554649  
1 1 1 17  9  9  o 135.1058 2.061499  182.6004       5.563049  177.6552       7.635883  188.1942       8.121206  -3.884293      4.122998  
1 1 1 17  9  10 o 87.28716 1.418135  76.21198       2.474312  74.82303       3.431012  77.71712       3.571632  -1.654449      2.836270  
1 1 1 17  9  11 o 152.6528 2.309345  233.6110       7.048706  230.6774       9.834050  236.7106       10.10836  -1.964294      4.618691  
1 1 1 17  9  12 o 166.4987 1.762989  277.7182       5.870466  279.2831       8.348186  276.1873       8.256755  0.9262543      3.525978  
1 1 1 17  9  13 o 71.19038 0.8310345 50.34396       1.177540  54.29087       1.774529  47.23855       1.574028  4.949326       1.662069  
1 1 1 17  9  14 o 67.72308 1.015189  45.93758       1.278137  45.78925       2.272990  46.00617       1.545655  -0.1783218     2.030378  
1 1 1 17  9  15 o 46.88614 0.9960368 21.98232       0.9334562 21.49411       1.293399  22.51305       1.348539  -1.085045      1.992074  
1 1 1 17  9  16 o 132.7524 1.841844  177.7437       4.838318  184.2361       6.461275  169.4563       7.300081  5.615662       3.683688  
1 1 1 17  9  17 o 39.76604 0.6019179 15.73828       0.4770436 14.90743       0.6427397 16.75734       0.7118197 -2.324589      1.203836  
1 1 1 17  9  18 o 57.68687 0.7272910 32.94030       0.8331257 30.47948       1.101017  36.23680       1.274328  -4.985554      1.454582  
1 1 1 17  9  19 o 89.69295 1.006443  80.51807       1.804974  81.75288       2.587687  79.34801       2.518939  1.337677       2.012886  
1 1 1 17  9  20 o 16.06302 0.6973187 2.475595       0.2162842 1.713450       0.2788036 3.627431       0.3427477 -5.955750      1.394637  
1 1 1 17  9  21 o 72.13803 1.243665  52.14694       1.794306  52.29026       2.540774  52.00435       2.534302  0.1977844      2.487330  
1 1 1 17  9  22 o 13.04147 0.7868261 1.726735       0.2017017 1.870214       0.2689501 1.542306       0.3049230 1.258611       1.573652  
1 1 1 17  9  23 f 63.11761 0.7769320 39.79652       0.9793546 38.48716       1.342105  41.28783       1.432327  -2.214813      1.553864  
1 1 1 17  9  24 o 34.53273 0.6093117 11.86185       0.4194477 11.06897       0.5659626 12.82802       0.6247640 -2.544876      1.218623  
1 1 1 17  9  25 o 59.24464 0.7490733 35.11739       0.8872046 34.53386       1.233507  35.74281       1.277017  -1.018166      1.498147  
1 1 1 17  9  26 o 51.59194 0.9257481 26.65133       0.9549948 27.44633       1.365501  25.89018       1.336111  1.506218       1.851496  
1 1 1 17  9  27 f 55.87219 0.9752577 31.25989       1.089462  32.17555       1.563253  30.39517       1.519158  1.590084       1.950515  
1 1 1 17  9  28 o 102.7350 1.229106  105.7182       2.496021  107.2159       3.846175  104.6284       3.280695  1.201942       2.458212  
1 1 1 17  9  29 o 45.04687 0.8719618 20.33630       0.7853857 20.73863       1.106619  19.92798       1.114833  0.9004173      1.743924  
1 1 1 17  9  30 o 81.03719 0.9412994 65.81932       1.525300  66.65839       2.183658  65.01987       2.131487  1.006004       1.882599  
1 1 1 17  9  31 o 54.73251 0.7301870 29.90566       0.7976632 31.52262       1.174964  28.52336       1.086370  2.733089       1.460374  
1 1 1 17  9  32 o 43.97564 0.6669902 19.36632       0.5866069 19.57565       0.8306594 19.15807       0.8285195 0.4746208      1.333980  
1 1 1 17  9  33 o 7.426108 1.441014  0.5495555      0.2233099 0.3904033      0.2954048 0.7617800      0.3411215 -2.202581      2.882028  
1 1 1 17  9  34 o 13.56714 1.743557  2.039945       0.4150623 1.561795       0.7444677 2.255610       0.4999802 -2.824596      3.487114  
1 1 1 17  9  35 o 35.89821 0.8683121 13.31426       0.5735871 13.99117       0.6973985 11.89902       1.008393  2.949909       1.736624  
1 1 1 17  9  36 o 14.15199 0.9933051 1.968814       0.2696522 1.290236       0.3553548 2.889961       0.4140252 -5.643713      1.986610  
1 1 1 17  9  37 o 29.57011 0.6685476 8.758602       0.3951575 8.694796       0.5488002 8.827300       0.5694456 -0.2219315     1.337095  
1 1 1 17  9  38 o 34.66013 0.6678728 11.94826       0.4612102 10.88699       0.6213993 13.24999       0.6882041 -3.401093      1.335746  
1 1 1 17  9  39 o 24.83570 0.7064585 6.189647       0.3504167 6.321717       0.4861026 6.046769       0.5056002 0.5559673      1.412917  
1 1 1 17  9  40 o 8.834619 1.300273  0.7004728      0.2518256 0.1152684      0.3241665 1.591122       0.3999150 -7.475211      2.600545  
1 1 1 17  9  41 o 27.19896 0.7109203 7.373783       0.3854466 6.863918       0.5200050 7.995523       0.5742271 -2.072550      1.421841  
1 1 1 17  9  42 o 47.76218 0.7289162 22.78991       0.6946647 21.45678       0.9439142 24.36507       1.026023  -3.031364      1.457832  
1 1 1 17  9  43 o 32.25711 0.7135606 10.43403       0.4600349 10.98395       0.6575040 9.906663       0.6438849 1.667694       1.427121  
1 1 1 17  9  44 o 20.53632 1.010211  4.123847       0.4016519 3.792333       0.5000306 4.726748       0.6743247 -2.233068      2.020423  
1 1 1 17  9  45 o 29.94545 1.417759  9.079650       0.8483534 8.763413       1.169960  9.430281       1.231945  -1.091671      2.835517  
1 1 1 17  9  46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  10 0  o 137.0419 2.087655  187.6321       5.711297  194.9030       8.390352  181.3543       7.796310  4.929184       4.175311  
1 1 1 17  10 1  o 155.6912 2.352257  242.6187       7.319113  237.4697       10.11999  248.2659       10.59814  -3.454117      4.704515  
1 1 1 17  10 2  o 102.5445 1.617352  105.0611       3.312598  108.6986       4.838058  101.8508       4.545097  3.333252       3.234704  
1 1 1 17  10 3  o 320.5452 4.752409  1034.531       30.43834  1011.124       41.96878  1060.507       44.21135  -7.570160      9.504819  
1 1 1 17  10 4  o 154.8365 2.343420  240.2220       7.256493  241.2729       10.32854  239.1977       10.19718  0.6660614      4.686841  
1 1 1 17  10 5  o 54.39837 1.076526  29.47639       1.167782  28.00721       1.579383  31.24827       1.734478  -2.976646      2.153052  
1 1 1 17  10 6  o 151.6240 2.297319  230.3221       6.964374  234.1017       10.00238  226.7656       9.702679  2.408722       4.594638  
1 1 1 17  10 7  o 59.47398 1.109911  34.89941       1.309778  39.42067       2.012795  31.57883       1.724952  6.587593       2.219823  
1 1 1 17  10 8  o 43.85388 1.006340  19.23489       0.8823172 19.98043       1.258813  18.51492       1.237042  1.670547       2.012681  
1 1 1 17  10 9  o 120.7060 1.867104  145.8696       4.505459  148.7205       6.488482  143.2153       6.260969  2.272873       3.734209  
1 1 1 17  10 10 o 125.7279 1.935413  157.5112       4.844310  149.6393       6.487700  167.4308       7.282808  -7.044662      3.870826  
1 1 1 17  10 11 o 82.20490 1.358625  67.64891       2.233551  67.25211       3.136452  68.05718       3.181464  -0.4883270     2.717250  
1 1 1 17  10 12 o 92.79682 1.493250  86.23624       2.771297  86.79523       3.937499  85.68752       3.901166  0.5955658      2.986500  
1 1 1 17  10 13 o 130.9022 2.009587  171.7967       5.259393  169.4780       7.324769  174.2644       7.556449  -1.816132      4.019175  
1 1 1 17  10 14 o 99.90290 1.366115  99.79376       2.550769  99.49323       3.095793  100.4292       4.501353  -0.4129486     2.732229  
1 1 1 17  10 15 o 119.9768 1.296380  144.1657       3.110704  144.0253       4.393924  144.3069       4.404496  -0.1168976     2.592761  
1 1 1 17  10 16 f 50.05292 0.6648358 25.04982       0.6651013 24.70646       0.9214523 25.42328       0.9609832 -0.7151718     1.329672  
1 1 1 17  10 17 o 93.89095 1.044876  88.05260       1.958653  91.55003       2.874613  85.02188       2.675951  3.468781       2.089751  
1 1 1 17  10 18 o 77.86910 0.8982745 60.69385       1.398916  60.54233       1.969907  60.84800       1.986937  -0.1956177     1.796549  
1 1 1 17  10 19 o 49.69235 0.6717716 24.10784       0.6583313 28.44861       1.042670  21.23020       0.8489500 7.257210       1.343543  
1 1 1 17  10 20 o 37.06863 0.5980508 13.73872       0.4428620 13.57550       0.6101378 13.92047       0.6438218 -0.4643593     1.196102  
1 1 1 17  10 21 o 39.72865 0.6174247 15.59740       0.4875375 17.97483       0.7374039 13.75111       0.6498331 5.312950       1.234849  
1 1 1 17  10 22 f 114.7587 1.798152  132.3040       4.126032  130.5671       5.757780  134.1375       5.915603  -1.540306      3.596304  
1 1 1 17  10 23 o 19.86794 0.6252712 3.955844       0.2476106 4.029040       0.3383190 3.871408       0.3633700 0.3975906      1.250542  
1 1 1 17  10 24 o 59.71067 0.7522091 35.62574       0.8971148 34.50232       1.230979  36.89829       1.310142  -2.002506      1.504418  
1 1 1 17  10 25 o 118.3611 1.291092  140.4774       3.054917  143.0980       4.400840  138.0402       4.244036  2.122391       2.582185  
1 1 1 17  10 26 o 64.05554 0.7914644 41.04292       1.013227  40.06689       1.401089  42.11298       1.467022  -1.593361      1.582929  
1 1 1 17  10 27 o 65.63995 0.9629592 43.53209       1.220787  44.59927       1.548408  41.77906       1.984553  2.182037       1.925918  
1 1 1 17  10 28 o 24.66740 0.7725328 6.105671       0.3793663 6.227530       0.5153292 5.961500       0.5605258 0.5422859      1.545066  
1 1 1 17  10 29 o 41.02818 0.8300195 16.85431       0.6803328 16.64219       0.9377919 17.08997       0.9884799 -0.5415611     1.660039  
1 1 1 17  10 30 o 36.55607 0.6417197 13.36832       0.4687344 14.21144       0.6728129 12.57316       0.6533945 2.239468       1.283439  
1 1 1 17  10 31 o 43.03845 0.6610093 18.54806       0.5689602 18.35282       0.8026083 18.74529       0.8066699 -0.4556503     1.322019  
1 1 1 17  10 32 o 23.50302 1.073150  6.230433       0.4156457 4.305732       0.8015166 6.938411       0.4861167 -5.637495      2.146300  
1 1 1 17  10 33 o 63.91156 1.195886  41.00047       1.527432  39.05334       2.115350  43.12160       2.207848  -3.168301      2.391772  
1 1 1 17  10 34 o 30.64282 0.6509309 9.408174       0.3987485 9.525581       0.5577797 9.285454       0.5702583 0.3929214      1.301862  
1 1 1 17  10 35 o 57.51073 0.7619919 33.02488       0.8743779 34.99738       1.292138  31.35869       1.187582  3.152020       1.523984  
1 1 1 17  10 36 o 36.85803 0.6646922 13.61016       0.4899807 13.56959       0.6911817 13.65113       0.6947064 -0.1102715     1.329384  
1 1 1 17  10 37 o 34.91885 0.6636505 12.19042       0.4629220 11.62275       0.6361664 12.82931       0.6748895 -1.723370      1.327301  
1 1 1 17  10 38 o 54.91096 0.7516009 30.23463       0.8253877 29.96688       1.160825  30.50841       1.173833  -0.4913826     1.503202  
1 1 1 17  10 39 o 44.99300 0.6968402 20.21704       0.6258056 21.57165       0.9209383 19.05491       0.8530060 2.788288       1.393680  
1 1 1 17  10 40 f 47.44469 0.7196496 22.56744       0.6827292 22.91551       0.9777743 22.23627       0.9537245 0.7124290      1.439299  
1 1 1 17  10 41 o 41.59729 0.6964992 17.34407       0.5792983 16.98951       0.8080699 17.71897       0.8309105 -0.8735313     1.392998  
1 1 1 17  10 42 o 48.67420 0.7285014 23.74708       0.7087653 23.10226       0.9818928 24.44857       1.024132  -1.376152      1.457003  
1 1 1 17  10 43 o 51.98393 0.7550489 27.09915       0.7846485 26.28734       1.090021  27.97222       1.130401  -1.613575      1.510098  
1 1 1 17  10 44 o 21.08749 1.339715  4.644775       0.4695151 4.246009       0.9709051 4.766493       0.5364064 -1.372234      2.679431  
1 1 1 17  10 45 o 40.10245 1.113482  16.53964       0.8084369 17.00256       0.9654538 15.45340       1.478907  2.067188       2.226963  
1 1 1 17  11 0  o 124.8855 2.720566  0.000000       0.000000  ?              ?         156.1716       6.795185  ?              ?         
1 1 1 17  11 1  o 78.49008 1.313499  61.62822       2.061304  60.93681       2.873651  62.36103       2.958445  -0.9057770     2.626997  
1 1 1 17  11 2  f 133.0644 2.041792  176.7035       5.417541  185.4175       8.043993  169.4698       7.328953  5.972000       4.083585  
1 1 1 17  11 3  o 113.4180 1.771963  128.7136       4.017314  126.1324       5.572447  131.5069       5.796878  -2.363449      3.543925  
1 1 1 17  11 4  o 139.6209 2.132211  195.1972       5.950793  191.5511       8.253697  199.1444       8.587615  -2.708191      4.264422  
1 1 1 17  11 5  o 99.78548 1.589377  99.65209       3.171220  101.1989       4.544009  98.18335       4.427813  1.508072       3.178754  
1 1 1 17  11 6  o 75.16647 1.279979  56.54239       1.924169  56.42070       2.709235  56.66624       2.733296  -0.1628189     2.559957  
1 1 1 17  11 7  f 138.9486 2.120894  193.1744       5.885555  187.6891       8.069926  199.4075       8.602433  -4.196747      4.241788  
1 1 1 17  11 8  o 68.68462 1.210742  46.88409       1.656022  50.75603       2.487212  43.80074       2.219521  5.056824       2.421483  
1 1 1 17  11 9  f 185.3640 2.783571  344.3274       10.29664  332.5485       14.01491  358.1421       15.17781  -6.833633      5.567142  
1 1 1 17  11 10 f 74.42502 1.280119  55.42006       1.904899  54.20222       2.655065  56.71192       2.734562  -1.683723      2.560239  
1 1 1 17  11 11 o 151.3576 2.299870  229.3023       6.945860  221.1132       9.444638  238.9488       10.25065  -5.845749      4.599741  
1 1 1 17  11 12 o 57.31865 1.098561  32.81795       1.257343  31.76490       1.720427  34.02522       1.842107  -1.968014      2.197121  
1 1 1 17  11 13 o 22.14380 1.234932  4.944914       0.5180879 7.223574       0.7678871 3.040932       0.7019222 9.441887       2.469864  
1 1 1 17  11 14 o 108.6867 1.708829  118.4455       3.714407  119.1348       5.280230  117.7701       5.226118  0.6247482      3.417659  
1 1 1 17  11 15 o 118.8453 1.287557  140.5804       3.044881  149.9954       4.592611  133.1961       4.067307  7.044357       2.575115  
1 1 1 17  11 16 o 21.90740 0.5353690 4.766703       0.2335987 4.436357       0.3133925 5.179712       0.3504163 -1.695820      1.070738  
1 1 1 17  11 17 o 29.89803 0.5529208 8.942631       0.3304460 8.952780       0.4599555 8.931806       0.4750525 0.3543854E-01  1.105842  
1 1 1 17  11 18 o 94.06095 1.049548  88.49655       1.972618  86.32468       2.720357  90.90491       2.864637  -2.427826      2.099096  
1 1 1 17  11 19 o 42.31169 0.6217105 17.90565       0.5258961 17.69782       0.7316166 18.12783       0.7564644 -0.5074120     1.243421  
1 1 1 17  11 20 o 36.74017 0.5965105 13.18628       0.4327256 11.51959       0.5603331 15.64907       0.6811353 -5.616123      1.193021  
1 1 1 17  11 21 o 41.44312 0.6232979 17.10297       0.5153853 18.57610       0.7600543 15.84906       0.7012248 3.288113       1.246596  
1 1 1 17  11 22 o 50.24290 0.6795583 25.24329       0.6826018 26.09874       0.9807155 24.43944       0.9506747 1.650108       1.359117  
1 1 1 17  11 23 o 20.33350 1.311932  4.168099       0.5297657 4.722548       0.7477614 3.609357       0.7506505 2.737574       2.623864  
1 1 1 17  11 24 o 75.75562 0.8879142 57.35784       1.343339  59.65740       1.965289  55.34127       1.840392  2.840935       1.775828  
1 1 1 17  11 25 o 24.13893 0.6145306 5.739413       0.2942579 5.091504       0.3875555 6.621343       0.4521619 -3.165977      1.229061  
1 1 1 17  11 26 o 64.14832 0.8511596 41.22205       1.086343  41.17982       1.620495  41.25652       1.464035  -0.7052612E-01 1.702319  
1 1 1 17  11 27 f 27.55147 0.6315653 7.625574       0.3458807 8.628098       0.4904623 6.633715       0.4878467 3.619234       1.263131  
1 1 1 17  11 28 o 20.81957 0.6817303 4.327784       0.2824270 4.224423       0.3787593 4.457226       0.4238593 -0.5561314     1.363461  
1 1 1 17  11 29 o 58.51511 0.8959910 34.15714       1.001022  33.77669       1.239467  34.87074       1.697513  -0.8924065     1.791982  
1 1 1 17  11 30 o 31.11686 0.9704012 9.236609       0.5589957 10.96247       1.040297  8.535995       0.6628165 3.859030       1.940802  
1 1 1 17  11 31 o 10.67709 3.264865  0.000000       0.000000  ?              ?         1.165295       0.7618647 ?              ?         
1 1 1 17  11 32 o 48.21002 0.6971240 23.24468       0.6716044 22.28326       0.9274519 24.30464       0.9738284 -2.092289      1.394248  
1 1 1 17  11 33 o 56.73051 0.7501877 32.20285       0.8503706 31.13371       1.171909  33.39184       1.235848  -1.983734      1.500375  
1 1 1 17  11 34 o 51.95988 0.7231302 27.04212       0.7512821 26.50461       1.048072  27.61023       1.077486  -1.060925      1.446260  
1 1 1 17  11 35 f 59.99837 0.7813840 36.08835       0.9376120 36.20045       1.331493  35.97809       1.320542  0.1840477      1.562768  
1 1 1 17  11 36 o 15.75322 0.8424868 2.492589       0.2642738 2.522860       0.3585886 2.456601       0.3909890 0.2146730      1.684974  
1 1 1 17  11 37 o 31.59398 0.6755130 10.00194       0.4264923 9.945347       0.5905256 10.06364       0.6166227 -0.1841106     1.351026  
1 1 1 17  11 38 o 67.71920 0.8481684 45.95183       1.147333  47.42488       1.673380  44.64502       1.576131  2.037857       1.696337  
1 1 1 17  11 39 o 19.83139 0.7943109 3.964246       0.3134418 4.356559       0.4389136 3.555948       0.4477662 2.019875       1.588622  
1 1 1 17  11 40 o 19.74263 0.8193217 3.969109       0.3172878 4.812588       0.4460151 3.104912       0.4514598 4.325718       1.638643  
1 1 1 17  11 41 o 85.78945 1.010552  74.06620       1.733812  73.29057       2.438058  74.85983       2.466146  -0.9082642     2.021104  
1 1 1 17  11 42 o 22.65479 0.7844063 5.148250       0.3544749 5.097646       0.4829760 5.207336       0.5218887 -0.2352772     1.568813  
1 1 1 17  11 43 o 38.22578 1.163420  14.74153       0.8870391 14.82586       1.304936  14.66910       1.209426  0.1781960      2.326839  
1 1 1 17  11 44 o 65.86319 0.8540059 43.57516       1.124443  44.37762       1.619748  42.82869       1.562218  1.163788       1.708012  
1 1 1 17  11 45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  12 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  12 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  12 2  o 72.06245 2.568353  0.000000       0.000000  ?              ?         52.00783       3.701637  ?              ?         
1 1 1 17  12 3  o 114.9747 1.795250  132.3118       4.126316  129.9045       5.732583  134.9001       5.944150  -2.166206      3.590499  
1 1 1 17  12 4  o 163.3943 2.468664  267.7398       8.066594  270.0413       11.50135  265.5116       11.31666  1.378250       4.937329  
1 1 1 17  12 5  o 116.9269 1.818288  136.9561       4.252100  136.7252       5.998806  137.1892       6.028055  -0.1974564     3.636576  
1 1 1 17  12 6  o 88.83224 1.447788  78.93134       2.570299  77.15519       3.553338  80.88058       3.722460  -2.091896      2.895576  
1 1 1 17  12 7  o 28.45731 1.063375  7.916922       0.5953194 6.186429       0.7835732 10.27955       0.9155719 -7.188644      2.126750  
1 1 1 17  12 8  o 73.63010 1.266796  54.14683       1.862415  52.22902       2.546669  56.35175       2.730650  -2.794235      2.533593  
1 1 1 17  12 9  o 28.74419 1.063890  8.272884       0.6081526 9.468209       0.8739278 7.150544       0.8468278 4.030828       2.127781  
1 1 1 17  12 10 o 132.1419 2.032846  175.1125       5.371013  172.8765       7.491475  177.4775       7.704524  -1.729172      4.065692  
1 1 1 17  12 11 o 109.3456 1.720943  119.8352       3.762735  118.4873       5.256283  121.2519       5.388813  -1.257332      3.441885  
1 1 1 17  12 12 o 127.0948 1.964013  162.0702       4.991492  163.9103       7.137794  160.3091       6.982829  1.406822       3.928027  
1 1 1 17  12 13 o 16.79746 1.407273  2.811917       0.4706126 2.458565       0.6425200 3.220887       0.6912407 -2.266843      2.814545  
1 1 1 17  12 14 o 43.83106 1.012501  19.22376       0.8872524 19.97653       1.267725  18.50100       1.242194  1.682274       2.025002  
1 1 1 17  12 15 o 94.35959 1.527662  88.95690       2.874957  85.22510       3.894278  93.42714       4.262191  -4.323067      3.055325  
1 1 1 17  12 16 o 107.7993 1.181893  116.3001       2.546267  119.1770       3.687429  113.6782       3.520311  2.541710       2.363786  
1 1 1 17  12 17 o 57.46246 0.7244605 32.40664       0.8214757 29.39175       1.061604  36.90598       1.296884  -6.530506      1.448921  
1 1 1 17  12 18 o 104.0703 1.145714  108.2904       2.381090  112.2076       3.484994  104.8607       3.260904  3.517227       2.291427  
1 1 1 17  12 19 o 68.79559 0.8198059 47.01461       1.121736  44.15255       1.494091  50.71201       1.698184  -4.758598      1.639612  
1 1 1 17  12 20 f 45.26486 0.6398906 20.48192       0.5788425 20.02085       0.7998615 20.98888       0.8387352 -1.067932      1.279781  
1 1 1 17  12 21 o 83.22119 0.9523216 68.94675       1.577927  65.26960       2.113714  73.57561       2.371524  -4.976135      1.904643  
1 1 1 17  12 22 f 41.64347 0.6325110 17.35509       0.5267821 17.45564       0.7435188 17.25375       0.7464548 0.2425270      1.265022  
1 1 1 17  12 23 f 12.39570 0.8050745 1.486385       0.1928243 1.024410       0.2506159 2.156644       0.3018704 -4.564202      1.610149  
1 1 1 17  12 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  12 25 o 62.39011 0.7809715 38.90722       0.9731028 37.70612       1.333776  40.27419       1.422893  -2.052444      1.561943  
1 1 1 17  12 26 o 49.63561 0.6906476 24.41508       0.6818420 27.17279       1.032173  22.27995       0.9082174 4.921352       1.381295  
1 1 1 17  12 27 o 59.95681 0.7646562 36.00460       0.9169008 35.93002       1.291244  36.08046       1.302212  -0.1246643     1.529312  
1 1 1 17  12 28 o 55.05139 0.8049630 30.51655       0.8800125 28.87909       1.303833  31.88663       1.192639  -2.740864      1.609926  
1 1 1 17  12 29 o 48.48939 1.096624  23.47507       1.060657  21.78811       1.438927  25.48224       1.569562  -3.793659      2.193247  
1 1 1 17  12 30 o 28.82167 0.7317194 8.538277       0.4090329 9.469167       0.5366428 7.247687       0.6318738 3.861845       1.463439  
1 1 1 17  12 31 o 44.34483 0.8604369 19.68385       0.7618832 19.17347       1.042989  20.26777       1.115604  -1.225937      1.720874  
1 1 1 17  12 32 o 25.46201 0.8017994 6.526034       0.4033878 7.831368       0.5784602 5.290357       0.5628144 4.988138       1.603599  
1 1 1 17  12 33 f 63.73855 0.8069438 40.65810       1.027622  39.16054       1.414776  42.33055       1.495103  -2.477722      1.613888  
1 1 1 17  12 34 f 50.38643 0.7155802 25.40396       0.7205731 24.36642       0.9966720 26.54018       1.042994  -2.152241      1.431160  
1 1 1 17  12 35 f 36.05891 0.6547921 13.02605       0.4721286 12.98026       0.6606332 13.07386       0.6749793 -0.1283226     1.309584  
1 1 1 17  12 36 o 25.90704 0.6839934 6.729265       0.3541925 7.011091       0.5016507 6.449111       0.5001603 1.084436       1.367987  
1 1 1 17  12 37 f 71.49162 0.8809562 51.13410       1.256413  53.66686       1.858835  49.00368       1.704814  3.237389       1.761912  
1 1 1 17  12 38 o 43.57370 0.7006615 18.97166       0.6094013 18.04614       0.8304788 20.05141       0.8970084 -2.292366      1.401323  
1 1 1 17  12 39 f 46.29917 0.7159367 21.43636       0.6619532 22.69449       0.9686353 20.33394       0.9067159 2.540413       1.431873  
1 1 1 17  12 40 o 55.70778 0.7720259 31.14411       0.8601092 30.70436       1.210248  31.59288       1.222602  -0.7954140     1.544052  
1 1 1 17  12 41 o 36.33553 1.027178  13.76951       0.6486697 12.30530       1.251063  14.30787       0.7586062 -2.861782      2.054356  
1 1 1 17  12 42 o 48.08813 0.9516081 23.44121       0.8413346 23.72401       1.011386  22.80583       1.515969  1.064388       1.903216  
1 1 1 17  12 43 o 29.87345 0.7175591 8.935717       0.4281788 8.525517       0.5879133 9.399071       0.6248454 -1.455414      1.435118  
1 1 1 17  12 44 o 42.07164 0.9199867 17.77695       0.7731048 19.10110       1.116198  16.55600       1.071822  3.014545       1.839973  
1 1 1 17  13 0  o 77.93663 1.320018  60.47112       2.049516  57.37143       2.754886  64.31317       3.067093  -4.446358      2.640037  
1 1 1 17  13 1  o 102.2851 1.629538  104.0733       3.317548  111.6129       4.997460  98.13252       4.436003  6.573120       3.259077  
1 1 1 17  13 2  o 38.95705 1.419820  15.18481       1.106240  15.18481       1.106240  ?              ?         ?              ?         
1 1 1 17  13 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  13 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  13 5  o 63.10546 1.657679  0.000000       0.000000  ?              ?         39.85812       2.092172  ?              ?         
1 1 1 17  13 6  o 126.5270 1.956464  160.4754       4.950202  158.9402       6.930618  162.0742       7.072836  -1.231834      3.912929  
1 1 1 17  13 7  o 170.2820 2.571487  291.3349       8.757356  290.3921       12.33545  292.2930       12.43469  -0.5516510     5.142975  
1 1 1 17  13 8  o 71.74174 1.253040  51.23083       1.791369  55.03749       2.676634  48.14249       2.410908  4.796173       2.506079  
1 1 1 17  13 9  o 88.17897 1.448946  77.37822       2.543440  83.12189       3.828114  72.83888       3.403197  5.812080       2.897892  
1 1 1 17  13 10 o 45.42980 1.024840  20.64503       0.9306528 20.27329       1.290732  21.04756       1.343114  -0.8504219     2.049679  
1 1 1 17  13 11 o 126.2012 1.955484  159.6889       4.931866  163.7301       7.146523  156.0143       6.814724  3.035072       3.910968  
1 1 1 17  13 12 o 39.78420 1.004848  15.84166       0.7984154 16.99692       1.140440  14.73112       1.118150  2.846813       2.009696  
1 1 1 17  13 13 o 21.62022 1.259923  4.763255       0.5320973 5.890037       0.7486706 3.613127       0.7563872 5.266071       2.519846  
1 1 1 17  13 14 o 38.59014 1.016140  14.92221       0.7831412 15.88653       1.109969  13.96632       1.105105  2.487732       2.032279  
1 1 1 17  13 15 o 32.82375 1.031306  10.59835       0.6708426 9.338805       0.8802789 12.34319       1.036077  -4.569250      2.062612  
1 1 1 17  13 16 o 58.21966 1.123400  33.91474       1.307296  35.08129       1.888959  32.84238       1.811089  1.918678       2.246801  
1 1 1 17  13 17 o 92.94730 1.041871  86.46706       1.935865  88.36340       2.790492  84.70768       2.687845  1.961166       2.083742  
1 1 1 17  13 18 o 86.17102 0.9765601 74.06270       1.678055  78.11492       2.491879  70.70033       2.269882  4.290688       1.953120  
1 1 1 17  13 19 f 59.69006 0.7470455 35.64241       0.8915976 36.50700       1.278226  34.82313       1.244278  1.409107       1.494091  
1 1 1 17  13 20 o 101.9696 1.129943  103.7883       2.297318  99.25043       3.105497  109.2731       3.414195  -4.893799      2.259885  
1 1 1 17  13 21 f 80.58841 0.9303044 65.04327       1.499257  64.53260       2.101109  65.57299       2.139965  -0.6430664     1.860609  
1 1 1 17  13 22 o 76.96773 1.223805  58.69046       1.866053  54.48026       2.444707  64.56776       2.888447  -6.514938      2.447610  
1 1 1 17  13 23 o 18.98375 0.6294998 3.624254       0.2378260 3.939074       0.3311989 3.289111       0.3417214 1.712374       1.259000  
1 1 1 17  13 24 o 48.07277 0.6775866 23.09818       0.6507352 22.41151       0.8948539 23.86884       0.9480010 -1.512810      1.355173  
1 1 1 17  13 25 o 56.04958 0.7347132 31.45402       0.8234745 31.27999       1.152913  31.63526       1.176585  -0.3154030     1.469426  
1 1 1 17  13 26 o 73.10219 0.9530978 53.54027       1.375129  53.76812       2.126032  53.37638       1.803081  0.2382736      1.906196  
1 1 1 17  13 27 o 54.44049 1.141043  29.60052       1.239095  31.97579       1.834459  27.60756       1.680354  3.993587       2.282087  
1 1 1 17  13 28 o 50.83681 0.7839598 25.81345       0.7810274 25.50337       1.005587  26.28492       1.239952  -0.7488060     1.567920  
1 1 1 17  13 29 o 9.930071 1.092947  0.9795946      0.2091872 0.7842482      0.2743722 1.250787       0.3232785 -2.468837      2.185894  
1 1 1 17  13 30 o 74.58414 0.8942847 55.74790       1.333404  57.06778       1.920846  54.52035       1.852449  1.700027       1.788569  
1 1 1 17  13 31 o 26.27943 0.6577516 6.912926       0.3450054 6.848769       0.4720803 6.986475       0.5054499 -0.2590542     1.315503  
1 1 1 17  13 32 o 30.63976 0.7385444 9.606715       0.4422693 10.69503       0.5892622 8.202773       0.6692772 4.075066       1.477089  
1 1 1 17  13 33 o 8.040810 1.349241  0.5311087      0.2463316 0.9621922E-01  0.3122146 1.248220       0.4009192 -6.188715      2.698482  
1 1 1 17  13 34 o 28.33043 0.7170459 7.874383       0.4000000 8.999744       0.6371018 7.142138       0.5139143 3.264898       1.434092  
1 1 1 17  13 35 o 23.70470 0.6891491 5.619943       0.3262828 5.405980       0.4474693 5.862866       0.4767924 -0.9602299     1.378298  
1 1 1 17  13 36 o 41.29424 0.6895663 16.98127       0.5676069 18.86789       0.8412933 15.40494       0.7690037 4.184231       1.379133  
1 1 1 17  13 37 o 35.92693 0.6814061 12.93400       0.4895156 12.72870       0.6838279 13.14978       0.7010527 -0.5838814     1.362812  
1 1 1 17  13 38 o 21.43926 0.7587510 4.627982       0.3238233 5.110633       0.4560811 4.137315       0.4598528 2.270508       1.517502  
1 1 1 17  13 39 o 28.28102 0.7002490 8.013470       0.3958215 7.808763       0.5479233 8.236900       0.5724329 -0.7533379     1.400498  
1 1 1 17  13 40 o 20.55056 1.568643  4.273779       0.6335126 4.366052       0.9972076 4.211339       0.8203183 0.3152523      3.137287  
1 1 1 17  13 41 o 29.79274 0.7126493 8.916845       0.4240798 9.257853       0.5928954 8.559628       0.6068261 1.174084       1.425299  
1 1 1 17  13 42 o 26.46511 0.7380830 7.030626       0.3903923 7.017567       0.5417684 7.044730       0.5630422 -0.4737282E-01 1.476166  
1 1 1 17  13 43 o 43.53750 0.8797724 19.16437       0.7614265 20.44284       1.045125  17.71814       1.111584  3.143368       1.759545  
1 1 1 17  14 0  o 70.55655 1.246309  49.29593       1.747553  54.63291       2.661008  45.24857       2.317313  6.640839       2.492618  
1 1 1 17  14 1  o 107.1093 1.693979  114.3701       3.615624  121.3307       5.399309  108.7112       4.868343  5.870644       3.387959  
1 1 1 17  14 2  o 70.97372 1.242946  50.19595       1.759391  53.43892       2.610404  47.49652       2.381614  4.179718       2.485892  
1 1 1 17  14 3  o 98.13145 1.578379  95.71128       3.080345  103.3588       4.666184  89.80447       4.100890  6.884583       3.156758  
1 1 1 17  14 4  f 18.67086 1.881987  3.907079       0.5849491 4.370881       0.6982459 2.815494       1.071202  4.450451       3.763975  
1 1 1 17  14 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  14 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  14 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  14 8  o 42.03079 1.473145  0.000000       0.000000  ?              ?         17.68382       1.238349  ?              ?         
1 1 1 17  14 9  o 93.57611 1.521348  87.75890       2.847219  88.01604       4.035123  87.50393       4.018081  0.2727356      3.042695  
1 1 1 17  14 10 o 81.44712 1.371866  66.32829       2.231813  69.05122       3.258952  63.92342       3.062704  3.138306       2.743731  
1 1 1 17  14 11 o 25.57483 1.132654  6.565678       0.5774489 6.779483       0.7932757 6.324693       0.8421897 0.8913288      2.265308  
1 1 1 17  14 12 o 75.71114 1.306481  57.44024       1.978198  57.25504       2.781443  57.62980       2.814031  -0.2456436     2.612961  
1 1 1 17  14 13 o 69.04170 1.230731  47.76075       1.699396  47.94817       2.398195  47.57174       2.408455  0.2731857      2.461462  
1 1 1 17  14 14 o 64.99670 1.192692  42.03620       1.542877  39.56534       2.062117  45.17843       2.325457  -4.303288      2.385385  
1 1 1 17  14 15 o 137.6287 2.122844  190.4979       5.840560  194.1200       8.416092  187.1330       8.111902  2.506409       4.245688  
1 1 1 17  14 16 o 68.96165 1.237286  47.54539       1.704014  49.88275       2.493676  45.49790       2.333927  3.168823       2.474572  
1 1 1 17  14 17 o 42.30731 1.050203  17.93181       0.8882388 18.01418       1.239586  17.84488       1.273416  0.2020035      2.100407  
1 1 1 17  14 18 o 134.3756 1.451671  181.1787       3.901359  181.6559       5.528696  180.7054       5.506084  0.3518066      2.903341  
1 1 1 17  14 19 o 22.87782 0.5564978 5.142406       0.2522475 4.371324       0.3330088 6.180424       0.3863740 -3.951971      1.112996  
1 1 1 17  14 20 o 53.81544 0.8556445 29.02019       0.9134960 28.86410       1.380583  29.14175       1.218333  -0.2676086     1.711289  
1 1 1 17  14 21 f 29.57281 0.5786983 8.688425       0.3409088 8.055166       0.4578498 9.476334       0.5107049 -2.400682      1.157397  
1 1 1 17  14 22 o 45.13403 0.6581208 20.39319       0.5939699 20.75084       0.8379050 20.03193       0.8421112 0.7966347      1.316242  
1 1 1 17  14 23 o 69.79193 0.8420108 48.38180       1.168108  45.32515       1.551369  52.38340       1.775040  -5.040985      1.684022  
1 1 1 17  14 24 o 47.99716 0.9107126 23.53563       0.8018788 21.93704       1.434750  24.26181       0.9670085 -2.458549      1.821425  
1 1 1 17  14 25 o 78.40755 1.366791  61.79865       2.143290  61.87415       3.022347  61.72228       3.039867  0.9921265E-01  2.733582  
1 1 1 17  14 26 o 78.21751 0.9213938 61.30295       1.440917  62.50422       2.070185  60.17408       2.006820  1.483421       1.842788  
1 1 1 17  14 27 o 11.54227 0.8963935 1.320256       0.2056755 1.153252       0.2752988 1.531223       0.3094203 -1.633986      1.792787  
1 1 1 17  14 28 o 45.15995 0.6770844 20.30629       0.6092301 19.12091       0.8192261 21.77300       0.9112679 -2.928982      1.354169  
1 1 1 17  14 29 o 13.33718 0.8452262 1.824952       0.2200995 2.068945       0.2950463 1.518804       0.3304972 2.066161       1.690452  
1 1 1 17  14 30 o 52.18372 0.7263442 27.06372       0.7542369 25.16734       1.006666  29.49069       1.138821  -4.129501      1.452688  
1 1 1 17  14 31 o 16.70648 0.7642985 2.813639       0.2531161 2.939546       0.3408372 2.658816       0.3779539 0.8440895      1.528597  
1 1 1 17  14 32 f 15.82128 0.8006539 2.476035       0.2516260 2.167601       0.3347006 2.876963       0.3815997 -2.236315      1.601308  
1 1 1 17  14 33 o 50.23666 0.7338903 25.22298       0.7362930 26.81225       1.076035  23.82368       1.009681  2.967060       1.467781  
1 1 1 17  14 34 o 29.25855 0.7897407 8.615735       0.4604369 9.317678       0.6446809 7.884867       0.6578304 2.450304       1.579481  
1 1 1 17  14 35 o 32.86040 0.8070926 10.73838       0.5267339 12.70510       0.7826384 9.109887       0.7121671 5.460445       1.614185  
1 1 1 17  14 36 o 5.624659 1.506969  0.2142105      0.2335952 0.1312249      0.3122561 0.3196731      0.3520128 -1.067319      3.013938  
1 1 1 17  14 37 o 18.01321 0.8230726 3.191404       0.2929874 2.611317       0.3866459 3.973697       0.4490052 -3.771572      1.646145  
1 1 1 17  14 38 o 27.21738 1.166369  7.222685       0.5760542 8.048271       1.096372  6.907856       0.6770387 1.995872       2.332739  
1 1 1 17  14 39 o 20.89775 0.8972175 4.427994       0.3587992 4.527570       0.4494113 4.252950       0.5958545 0.6858845      1.794435  
1 1 1 17  14 40 o 49.62456 0.7429957 24.70371       0.7372671 24.22613       1.030177  25.20514       1.055594  -0.9821320     1.485991  
1 1 1 17  14 41 o 14.36917 1.002141  2.092527       0.2852180 2.192392       0.3835076 1.968929       0.4266515 0.7882042      2.004283  
1 1 1 17  14 42 f 41.36258 0.7160968 17.14264       0.5918853 18.12146       0.8551776 16.24263       0.8200324 2.265026       1.432194  
1 1 1 17  15 0  o 17.53873 1.409776  3.053350       0.4796921 2.131750       0.6438282 4.203312       0.7191843 -5.902946      2.819553  
1 1 1 17  15 1  o 132.3388 2.042496  174.9105       5.386711  184.7747       8.037720  166.8678       7.257766  6.721512       4.084991  
1 1 1 17  15 2  o 61.97878 1.158198  38.43871       1.434976  37.93326       1.993346  38.98241       2.067402  -0.8438873     2.316395  
1 1 1 17  15 3  o 74.42284 1.288299  55.46332       1.917512  55.99563       2.724812  54.94108       2.698916  0.7074661      2.576598  
1 1 1 17  15 4  o 69.90669 1.239780  48.86568       1.731540  47.46028       2.383071  50.43751       2.520216  -2.123985      2.479560  
1 1 1 17  15 5  o 86.17653 1.432803  74.39426       2.469239  75.31045       3.522235  73.50883       3.462591  1.042465       2.865606  
1 1 1 17  15 6  o 76.91731 1.321200  58.99741       2.025768  56.19657       2.733748  62.40842       3.016868  -4.025337      2.642401  
1 1 1 17  15 7  o 50.82538 1.520624  25.86174       1.545726  25.86174       1.545726  ?              ?         ?              ?         
1 1 1 17  15 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  15 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  15 10 o 21.95181 2.917930  0.000000       0.000000  ?              ?         4.844447       1.281077  ?              ?         
1 1 1 17  15 11 o 30.04632 1.107518  8.752122       0.6533163 6.869203       0.8473191 11.51267       1.025956  -7.718245      2.215036  
1 1 1 17  15 12 o 57.42851 1.130386  32.99447       1.297504  34.37132       1.874379  31.72769       1.797905  2.297604       2.260771  
1 1 1 17  15 13 o 32.02394 1.046358  10.17989       0.6664553 9.444048       0.8872305 11.13272       1.009603  -2.630255      2.092717  
1 1 1 17  15 14 o 97.02678 1.579277  94.42176       3.063130  96.52116       4.417153  92.47692       4.251438  2.070442       3.158554  
1 1 1 17  15 15 f 104.3035 1.674283  108.9834       3.486194  113.6091       5.122768  104.9931       4.757875  4.097214       3.348567  
1 1 1 17  15 16 o 32.49403 1.099318  10.44286       0.7097160 9.342864       0.9413555 11.89157       1.080311  -3.913258      2.198636  
1 1 1 17  15 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  15 18 o 94.08752 1.552479  88.57662       2.912799  84.56750       3.940593  93.40565       4.324804  -4.656563      3.104958  
1 1 1 17  15 19 o 39.47007 0.6097569 15.59256       0.4812460 15.94928       0.6804418 15.23554       0.6807274 0.9041672      1.219514  
1 1 1 17  15 20 o 75.91112 0.8922153 57.66342       1.353499  56.42688       1.869890  59.02433       1.961682  -1.704964      1.784431  
1 1 1 17  15 21 f 66.71899 0.8118788 44.58099       1.083342  44.67519       1.529301  44.48611       1.534867  0.1420517      1.623758  
1 1 1 17  15 22 o 68.56929 1.056008  48.37496       1.385284  42.54510       2.242347  51.97328       1.761667  -6.917076      2.112015  
1 1 1 17  15 23 o 61.95310 1.202314  38.50979       1.489406  39.58685       2.130358  37.47997       2.083115  1.695168       2.404629  
1 1 1 17  15 24 o 29.16693 0.5979947 8.511151       0.3482966 8.434196       0.4784653 8.597897       0.5079912 -0.2788315     1.195989  
1 1 1 17  15 25 f 36.98637 0.6278814 13.66596       0.4635494 13.24675       0.6324017 14.15273       0.6814593 -1.221508      1.255763  
1 1 1 17  15 26 o 43.01034 1.129597  18.52419       0.9701478 20.02019       1.410407  17.18073       1.336562  3.291592       2.259194  
1 1 1 17  15 27 o 46.38865 0.6832475 21.55332       0.6338439 21.92320       0.8979608 21.18602       0.8948287 0.7943192      1.366495  
1 1 1 17  15 28 o 54.88888 0.7408726 30.18929       0.8132764 30.42922       1.148034  29.94758       1.152270  0.4391403      1.481745  
1 1 1 17  15 29 o 20.03215 0.6690730 3.987659       0.2667386 3.710018       0.3562502 4.341897       0.4024028 -1.572987      1.338146  
1 1 1 17  15 30 o 56.50988 0.7563596 32.00554       0.8547717 32.00006       1.201449  32.01117       1.216349  -0.8258820E-02 1.512719  
1 1 1 17  15 31 o 26.74372 0.6493540 7.177033       0.3450983 8.238664       0.4940561 6.165560       0.4822438 3.874760       1.298708  
1 1 1 17  15 32 o 61.70218 0.8023810 38.11000       0.9891813 39.71398       1.438800  36.67231       1.362171  2.455360       1.604762  
1 1 1 17  15 33 f 33.38602 0.6657190 11.16138       0.4433375 12.31317       0.6375142 10.08273       0.6169398 3.338045       1.331438  
1 1 1 17  15 34 o 42.87172 0.7001920 18.40697       0.5999615 19.38329       0.8622237 17.49053       0.8353611 2.204147       1.400384  
1 1 1 17  15 35 o 20.82232 0.8131379 4.392510       0.3286964 4.536925       0.4211833 4.167537       0.5256903 0.9021950      1.626276  
1 1 1 17  15 36 o 46.44396 1.296248  0.000000       0.000000  ?              ?         21.67078       1.204057  ?              ?         
1 1 1 17  15 37 f 23.92463 1.172657  5.833474       0.5250219 5.957717       0.6422512 5.583196       0.9115451 0.8457088      2.345314  
1 1 1 17  15 38 o 19.73730 0.7923536 3.916159       0.3119112 3.986458       0.4277543 3.836341       0.4557982 0.3852425      1.584707  
1 1 1 17  15 39 o 59.02685 0.8055066 34.98562       0.9509088 34.66834       1.342988  35.30462       1.346596  -0.5383110     1.611013  
1 1 1 17  15 40 o 11.44623 1.207148  1.316110       0.2747433 1.260361       0.3662157 1.387885       0.4155315 -0.5425367     2.414297  
1 1 1 17  15 41 o 22.94635 0.8050089 5.239684       0.3657095 4.963930       0.4791045 5.624665       0.5660944 -1.422527      1.610018  
1 1 1 17  15 42 f 12.73937 1.981455  0.000000       0.000000  ?              ?         1.646085       0.5048496 ?              ?         
1 1 1 17  16 0  o 86.82675 1.443256  75.16659       2.498028  79.97121       3.721230  71.22548       3.370277  5.019653       2.886513  
1 1 1 17  16 1  o 124.8580 1.943038  156.4361       4.851585  155.4409       6.804613  157.4650       6.919175  -0.8031311     3.886075  
1 1 1 17  16 2  f 59.65410 1.141554  35.40849       1.357383  38.45446       2.023038  32.91439       1.830614  4.636051       2.283109  
1 1 1 17  16 3  o 51.85944 1.068901  26.82527       1.105889  25.59661       1.500774  28.28510       1.635871  -2.587090      2.137803  
1 1 1 17  16 4  o 116.4432 1.827938  136.0511       4.256999  135.9249       6.009666  136.1782       6.031003  -0.1073380     3.655877  
1 1 1 17  16 5  o 93.67171 1.529375  87.66103       2.858184  92.21935       4.225543  83.81652       3.880615  4.464928       3.058750  
1 1 1 17  16 6  o 9.821479 1.958233  0.9617981      0.4513141 1.582813       0.6145133 0.2345962      0.6649786 5.008387       3.916466  
1 1 1 17  16 7  o 139.8871 2.155833  196.4881       6.023627  202.9418       8.793105  190.7814       8.268471  4.296799       4.311666  
1 1 1 17  16 8  o 62.77468 1.178193  39.36161       1.476248  37.75880       2.011650  41.23209       2.173150  -2.757896      2.356387  
1 1 1 17  16 9  o 38.43212 1.044559  14.77371       0.8003834 14.57711       1.086418  15.00707       1.183648  -0.5546951     2.089118  
1 1 1 17  16 10 o 47.52356 1.522620  22.62034       1.447206  22.62034       1.447206  ?              ?         ?              ?         
1 1 1 17  16 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  16 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  16 13 o 58.78656 1.665287  0.000000       0.000000  ?              ?         34.63206       1.957929  ?              ?         
1 1 1 17  16 14 o 77.63438 1.703414  59.65029       2.441216  58.26526       2.918303  62.87843       4.455282  -2.826530      3.406829  
1 1 1 17  16 15 o 44.17657 1.113842  19.35888       0.9782615 22.54731       1.462715  16.77859       1.315851  6.519382       2.227684  
1 1 1 17  16 16 o 42.58513 1.089753  18.19435       0.9269596 19.17139       1.307085  17.20575       1.314787  2.308449       2.179506  
1 1 1 17  16 17 o 75.34038 1.327447  56.89648       1.998413  55.53522       2.756790  58.40398       2.901095  -1.890404      2.654894  
1 1 1 17  16 18 o 42.00457 1.088862  17.55927       0.9103751 16.46072       1.217095  18.95453       1.371647  -2.956623      2.177724  
1 1 1 17  16 19 o 79.17593 1.379694  62.79800       2.180745  60.60735       2.976902  65.33508       3.203645  -2.961426      2.759389  
1 1 1 17  16 20 o 29.47588 1.168057  8.751667       0.6856784 9.282121       0.9472514 8.167780       0.9938148 1.894764       2.336115  
1 1 1 17  16 21 o 41.32449 0.9138774 15.89792       0.6080234 15.13926       0.6740818 19.20951       1.408339  -4.867027      1.827755  
1 1 1 17  16 22 o 40.24194 0.6319771 16.21256       0.5086178 16.34144       0.7180763 16.08281       0.7205182 0.3215065      1.263954  
1 1 1 17  16 23 o 56.42415 0.7376933 31.78493       0.8310416 33.72004       1.219441  30.10683       1.135576  3.195396       1.475387  
1 1 1 17  16 24 o 45.74923 0.6694646 20.85643       0.6110574 22.65192       0.9015297 19.33054       0.8310928 3.624931       1.338929  
1 1 1 17  16 25 o 64.02430 0.8025115 41.06882       1.027502  41.65116       1.465705  40.50608       1.440828  0.8919640      1.605023  
1 1 1 17  16 26 o 39.65572 0.6465324 15.74381       0.5123695 16.62460       0.7316284 14.89606       0.7177700 2.178337       1.293065  
1 1 1 17  16 27 o 43.82665 0.9565609 19.77160       0.7325410 20.33316       0.8562891 18.23894       1.414635  2.456100       1.913122  
1 1 1 17  16 28 o 58.75542 0.7705158 34.57635       0.9049776 33.87732       1.255721  35.33178       1.305387  -1.232521      1.541032  
1 1 1 17  16 29 o 41.69442 0.6648270 17.41739       0.5541233 17.49725       0.7727011 17.33284       0.7950751 0.1992683      1.329654  
1 1 1 17  16 30 o 35.86380 0.6536122 12.84434       0.4676938 14.16936       0.6809788 11.66133       0.6434532 3.493019       1.307224  
1 1 1 17  16 31 o 71.62462 0.8832958 51.47263       1.265179  51.16049       1.774177  51.79558       1.804679  -0.4391403     1.766592  
1 1 1 17  16 32 o 20.46954 0.7196468 4.235711       0.2920821 4.724012       0.4052404 3.707780       0.4213643 2.484295       1.439294  
1 1 1 17  16 33 o 28.33043 0.6641915 8.065189       0.3752604 8.434935       0.5195352 7.661863       0.5426135 1.367081       1.328383  
1 1 1 17  16 34 o 14.96154 0.8750129 2.213018       0.2597172 1.974770       0.3420362 2.537440       0.3991291 -1.871303      1.750026  
1 1 1 17  16 35 o 35.61392 1.313519  12.73734       0.9329250 11.90136       1.262753  13.74203       1.384322  -2.552837      2.627038  
1 1 1 17  16 36 o 51.12389 0.7452146 26.21984       0.7619573 26.34359       1.080581  26.09745       1.074585  0.2398109      1.490429  
1 1 1 17  16 37 o 18.71741 0.9076625 3.462759       0.3361537 3.139109       0.4380590 3.926307       0.5242541 -2.085360      1.815325  
1 1 1 17  16 38 o 36.11174 0.7565675 13.09273       0.5410128 13.05464       0.8244635 13.12154       0.7169653 -0.1108704     1.513135  
1 1 1 17  16 39 o 5.999925 1.581771  0.2815169      0.2554255 0.3570938      0.3289350 0.1667299      0.4053800 0.4710913      3.163542  
1 1 1 17  16 40 o 33.97435 0.8323612 11.60688       0.5646579 11.76158       0.7796764 11.43625       0.8188573 0.4868317      1.664722  
1 1 1 17  16 41 o 24.37938 1.263328  0.000000       0.000000  ?              ?         5.977785       0.6159829 ?              ?         
1 1 1 17  17 0  o 64.50338 1.191776  41.46783       1.532423  39.29311       2.067543  44.11885       2.282749  -3.730850      2.383552  
1 1 1 17  17 1  o 65.35134 1.195435  42.77755       1.562383  42.78349       2.198316  42.77148       2.220943  0.1026917E-01  2.390870  
1 1 1 17  17 2  o 53.04284 1.088057  28.03176       1.151282  30.37640       1.702671  26.05692       1.562644  4.065247       2.176115  
1 1 1 17  17 3  o 78.91821 1.348466  62.36330       2.126799  61.00228       2.940494  63.85638       3.079838  -1.800034      2.696932  
1 1 1 17  17 4  o 75.67072 1.312558  57.36789       1.986115  58.37064       2.840421  56.40859       2.778193  1.292793       2.625115  
1 1 1 17  17 5  o 23.84061 1.205258  5.701607       0.5735310 5.826456       0.7917271 5.563749       0.8319585 0.5531654      2.410516  
1 1 1 17  17 6  o 102.5741 1.652088  105.2329       3.381046  110.5929       4.996980  100.7070       4.591727  4.787773       3.304176  
1 1 1 17  17 7  o 49.90197 1.089435  24.85065       1.085299  26.68045       1.592140  23.26243       1.483322  3.419052       2.178869  
1 1 1 17  17 8  o 22.91723 1.272268  5.271034       0.5811199 5.354960       0.7931777 5.173783       0.8538248 0.3991318      2.544537  
1 1 1 17  17 9  o 40.77158 1.070518  16.66633       0.8720484 17.09530       1.216558  16.21297       1.250675  1.083939       2.141036  
1 1 1 17  17 10 o 35.00286 1.084982  12.16114       0.7542757 11.37738       0.9981537 13.20449       1.151651  -2.601009      2.169965  
1 1 1 17  17 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  17 12 o 50.35588 1.407039  26.06877       1.330936  27.42523       1.647856  23.52351       2.257257  3.921814       2.814079  
1 1 1 17  17 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  17 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  17 15 o 37.49433 2.472255  0.000000       0.000000  ?              ?         14.14364       1.853910  ?              ?         
1 1 1 17  17 16 o 32.33868 1.182056  10.46938       0.7547006 12.87965       1.101828  8.339146       1.035841  7.014814       2.364111  
1 1 1 17  17 17 o 34.26225 1.130091  11.82173       0.7709404 12.83041       1.075986  10.75763       1.105148  3.027367       2.260183  
1 1 1 17  17 18 o 36.41127 1.093211  13.07850       0.7889825 11.69815       1.034975  14.99358       1.219071  -4.508701      2.186422  
1 1 1 17  17 19 o 48.32548 1.129967  23.43980       1.091467  23.95401       1.528691  22.90508       1.558886  1.088234       2.259933  
1 1 1 17  17 20 o 73.71028 1.334088  54.42141       1.963388  57.53807       2.880730  51.71773       2.683093  3.923347       2.668175  
1 1 1 17  17 21 o 41.64667 0.6299375 17.33524       0.5242515 18.24356       0.7590914 16.50692       0.7248971 2.082767       1.259875  
1 1 1 17  17 22 o 7.021654 1.032021  0.5310711      0.1408178 0.6593959      0.1864347 0.3606134      0.2148719 2.181381       2.064042  
1 1 1 17  17 23 o 52.11556 0.7129303 27.16577       0.7425478 28.23298       1.075417  26.19338       1.026531  1.952946       1.425861  
1 1 1 17  17 24 o 30.13062 0.6057839 9.023998       0.3631874 10.41776       0.5373779 7.852045       0.4927660 4.254465       1.211568  
1 1 1 17  17 25 o 55.50716 0.7413579 30.76026       0.8213079 32.59864       1.210103  29.19016       1.118327  3.061737       1.482716  
1 1 1 17  17 26 o 39.82534 0.6472628 15.88591       0.5152798 16.57432       0.7325262 15.21164       0.7249640 1.710163       1.294526  
1 1 1 17  17 27 o 78.97151 0.9374481 62.55111       1.480132  61.64071       2.061254  63.52027       2.126728  -1.181625      1.874896  
1 1 1 17  17 28 o 44.05041 0.6806220 19.44072       0.5995969 19.73700       0.8500615 19.14734       0.8458701 0.6688919      1.361244  
1 1 1 17  17 29 o 60.72630 0.7925898 36.88445       0.9609239 35.55916       1.312549  38.41524       1.410651  -2.340145      1.585180  
1 1 1 17  17 30 o 48.90082 0.7146102 23.92778       0.6980712 23.17636       0.9592150 24.77384       1.017834  -1.626656      1.429220  
1 1 1 17  17 31 o 28.60327 0.6570994 8.109238       0.3736466 7.387396       0.4964013 9.052826       0.5675488 -2.903078      1.314199  
1 1 1 17  17 32 o 32.85226 0.6681105 10.83522       0.4378543 11.72607       0.6191561 9.944011       0.6192828 2.712242       1.336221  
1 1 1 17  17 33 o 12.38026 2.447741  1.617075       0.6553138 2.188683       0.9167619 1.019849       0.9370795 3.885403       4.895482  
1 1 1 17  17 34 o 53.34800 0.7590679 28.51138       0.8093206 29.82608       1.170064  27.30541       1.120639  2.355057       1.518136  
1 1 1 17  17 35 o 20.10658 0.7621638 4.061487       0.3036127 4.093900       0.4036018 4.019234       0.4608091 0.1946716      1.524328  
1 1 1 17  17 36 o 12.25595 1.056212  1.483137       0.2538564 1.373022       0.3236657 1.659150       0.4092076 -1.147169      2.112424  
1 1 1 17  17 37 o 43.98380 0.7054784 19.39029       0.6203095 20.00123       0.8936650 18.82226       0.8617076 1.335133       1.410957  
1 1 1 17  17 38 f 23.04806 0.8486452 5.297589       0.3883613 5.020538       0.5139370 5.666376       0.5929499 -1.384716      1.697290  
1 1 1 17  17 39 o 17.75714 0.9448310 3.123340       0.3326649 2.800666       0.4369637 3.568194       0.5130645 -2.143448      1.889662  
1 1 1 17  17 40 o 32.51407 1.221351  0.000000       0.000000  ?              ?         10.62856       0.7942219 ?              ?         
1 1 1 17  18 0  o 22.91104 1.239424  5.219532       0.5637923 4.400846       0.7646896 6.194579       0.8345255 -3.910633      2.478848  
1 1 1 17  18 1  o 116.7405 1.840492  136.7929       4.295052  139.7236       6.194006  134.0786       5.960938  2.397942       3.680984  
1 1 1 17  18 2  o 20.91030 1.335276  4.359308       0.5567636 4.080502       0.7528440 4.695873       0.8271572 -1.466784      2.670551  
1 1 1 17  18 3  o 74.66910 1.309522  55.88370       1.955463  55.78186       2.747161  55.98830       2.784093  -0.1359100     2.619043  
1 1 1 17  18 4  o 69.86927 1.266682  48.91127       1.769756  49.98847       2.528628  47.87695       2.477773  1.507858       2.533363  
1 1 1 17  18 5  o 88.22955 1.475892  78.07167       2.603613  77.35798       3.632524  78.82566       3.733689  -0.8240967     2.951785  
1 1 1 17  18 6  o 40.46546 1.072485  16.34577       0.8660483 15.58541       1.177814  17.24076       1.277847  -2.039722      2.144970  
1 1 1 17  18 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  18 8  o 36.62419 1.121653  13.38068       0.8181136 15.24351       1.197238  11.74888       1.120542  4.766224       2.243306  
1 1 1 17  18 9  o 58.29659 1.169013  34.03919       1.362011  33.55807       1.885350  34.56435       1.969771  -0.8574753     2.338026  
1 1 1 17  18 10 o 51.37480 1.128294  26.35456       1.157139  28.53962       1.693455  24.44084       1.584825  3.981773       2.256589  
1 1 1 17  18 11 o 9.461312 2.115074  0.8292283      0.5101734 1.419727       0.6680149 0.2774792E-02  0.7902892 4.359610       4.230149  
1 1 1 17  18 12 o 24.76556 1.284286  6.009809       0.6268745 4.798954       0.8238280 7.675182       0.9661536 -5.794275      2.568571  
1 1 1 17  18 13 o 57.69690 1.172633  33.38886       1.352696  33.79841       1.896086  32.96436       1.930375  0.7256012      2.345266  
1 1 1 17  18 14 o 97.92773 1.611850  96.29656       3.154733  99.17617       4.566052  93.66646       4.363753  2.789879       3.223700  
1 1 1 17  18 15 o 50.72553 1.590465  25.80223       1.613543  25.80223       1.613543  ?              ?         ?              ?         
1 1 1 17  18 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  18 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  18 18 o 65.78798 1.524729  44.20882       1.941741  40.71995       3.099786  46.46193       2.491032  -4.449345      3.049457  
1 1 1 17  18 19 o 42.86932 1.145924  18.19960       0.9738888 21.97540       1.467314  15.22655       1.302026  7.852272       2.291847  
1 1 1 17  18 20 o 32.37187 1.222254  10.60242       0.7853210 11.76845       1.091664  9.351772       1.130581  3.737640       2.444507  
1 1 1 17  18 21 o 28.67247 1.278737  8.070307       0.7243670 6.704255       0.9483731 9.983225       1.122261  -5.693787      2.557475  
1 1 1 17  18 22 o 49.75650 0.6937457 24.78828       0.6901800 24.47762       0.9627419 25.11675       0.9899506 -0.6400642     1.387491  
1 1 1 17  18 23 o 54.07869 0.7271163 29.10063       0.7825379 27.42549       1.045531  31.23428       1.179978  -3.509506      1.454233  
1 1 1 17  18 24 o 86.32214 1.000845  74.75660       1.727404  76.19877       2.479618  73.39675       2.407802  1.613609       2.001691  
1 1 1 17  18 25 o 48.47867 0.6961134 23.52951       0.6744033 23.16588       0.9325486 23.92821       0.9764671 -0.7821121     1.392227  
1 1 1 17  18 26 o 69.45541 0.8599547 48.29942       1.193350  50.17875       1.736369  46.61713       1.642817  2.552727       1.719909  
1 1 1 17  18 27 o 69.91418 0.8625740 49.03036       1.206081  49.05220       1.698773  49.00816       1.712623  0.3324890E-01  1.725148  
1 1 1 17  18 28 o 66.69803 1.307496  44.53966       1.738225  48.18967       2.591906  41.55627       2.343296  4.923584       2.614991  
1 1 1 17  18 29 o 22.57537 0.6573186 5.029855       0.2942992 4.521112       0.3869002 5.728388       0.4533598 -2.666567      1.314637  
1 1 1 17  18 30 o 15.88926 0.7872825 2.559755       0.2474726 2.826651       0.3387580 2.254314       0.3623947 1.804264       1.574565  
1 1 1 17  18 31 o 17.23342 2.092356  3.059710       0.7042212 2.740505       0.9570868 3.436542       1.039897  -2.241268      4.184711  
1 1 1 17  18 32 o 50.35328 0.7328911 25.42184       0.7377894 25.25457       1.027844  25.59963       1.059667  -0.3382568     1.465782  
1 1 1 17  18 33 o 26.91311 0.6818250 7.252735       0.3658041 7.150361       0.4960673 7.374752       0.5415730 -0.4107056     1.363650  
1 1 1 17  18 34 o 33.95030 0.6833791 11.56898       0.4635833 11.90011       0.6481184 11.22208       0.6633588 1.000778       1.366758  
1 1 1 17  18 35 o 20.32179 0.7480826 4.136984       0.3014308 4.090201       0.3998113 4.198599       0.4588323 -0.2569542     1.496165  
1 1 1 17  18 36 o 27.25601 0.7312474 7.433716       0.3980509 7.954298       0.5802449 6.970950       0.5470761 1.798382       1.462495  
1 1 1 17  18 37 o 43.01400 0.8530898 18.59370       0.7333634 18.53449       1.017191  18.65779       1.058295  -0.1346588     1.706180  
1 1 1 17  18 38 o 14.79954 1.031064  2.184205       0.3022048 2.057899       0.3960781 2.360180       0.4675148 -1.003197      2.062129  
1 1 1 17  18 39 o 29.31591 1.180908  0.000000       0.000000  ?              ?         8.637772       0.6923879 ?              ?         
1 1 1 17  19 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  19 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  19 2  o 97.79491 1.620567  96.02002       3.169608  96.34010       4.474289  95.69758       4.490763  0.3299332      3.241133  
1 1 1 17  19 3  o 46.05095 1.088209  21.22114       1.000508  20.85710       1.369927  21.63728       1.464687  -0.8414955     2.176417  
1 1 1 17  19 4  o 90.92343 1.511689  82.81015       2.745643  86.02538       4.004942  79.95895       3.771422  3.316612       3.023379  
1 1 1 17  19 5  o 49.32098 1.103848  24.38182       1.088313  24.72046       1.521842  24.02735       1.556974  0.7048302      2.207696  
1 1 1 17  19 6  o 90.94469 1.518043  83.02320       2.761124  82.97842       3.894616  83.06845       3.915103  -0.4768372E-01 3.036086  
1 1 1 17  19 7  o 79.17780 1.374941  62.83130       2.175410  61.40781       3.002444  64.40443       3.156307  -1.879341      2.749882  
1 1 1 17  19 8  o 40.20354 1.103834  16.19201       0.8860784 17.50886       1.269636  14.94158       1.237202  3.190506       2.207667  
1 1 1 17  19 9  o 45.31525 1.097864  20.47159       0.9907069 19.45492       1.328838  21.74386       1.486529  -2.513523      2.195729  
1 1 1 17  19 10 o 27.93417 1.180061  7.689023       0.6531622 6.826340       0.8559896 8.891380       1.010554  -3.683447      2.360122  
1 1 1 17  19 11 f 55.88741 1.168757  31.30362       1.304981  30.99846       1.800436  31.64138       1.894172  -0.5674782     2.337514  
1 1 1 17  19 12 o 59.93491 1.201561  35.89593       1.435454  34.48265       1.937635  37.61510       2.137064  -2.595264      2.403122  
1 1 1 17  19 13 o 88.01436 1.493270  77.85815       2.628537  78.50876       3.723070  77.21155       3.711582  0.7355499      2.986541  
1 1 1 17  19 14 o 38.24452 1.146541  14.69097       0.8755289 15.07380       1.213878  14.27585       1.264013  1.048050       2.293083  
1 1 1 17  19 15 o 102.4720 1.677995  105.7152       3.438388  107.2830       4.917405  104.2155       4.809617  1.480743       3.355991  
1 1 1 17  19 16 o 47.90784 1.154039  23.01567       1.104711  22.64158       1.524560  23.42924       1.602983  -0.8134727     2.308077  
1 1 1 17  19 17 o 69.66109 1.831550  48.76197       2.551755  48.76197       2.551755  ?              ?         ?              ?         
1 1 1 17  19 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  19 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  19 20 o 33.21460 1.875271  0.000000       0.000000  ?              ?         11.09531       1.245728  ?              ?         
1 1 1 17  19 21 f 16.79485 1.966041  2.918316       0.6381487 3.037355       0.8546076 2.768291       0.9594147 1.085466       3.932083  
1 1 1 17  19 22 o 64.01324 1.273414  41.18651       1.628507  40.55437       2.243739  41.89023       2.367341  -1.023109      2.546827  
1 1 1 17  19 23 o 72.01348 0.8745245 52.01245       1.259438  52.15244       1.770635  51.86910       1.791782  0.1992188      1.749049  
1 1 1 17  19 24 o 29.69860 0.5980812 8.783501       0.3536805 10.03661       0.5200192 7.704913       0.4824504 3.922520       1.196162  
1 1 1 17  19 25 f 47.85959 0.6961951 22.95577       0.6659084 23.08623       0.9257279 22.81588       0.9586056 0.2857513      1.392390  
1 1 1 17  19 26 o 47.08374 0.7052575 22.21682       0.6640574 22.50672       0.9372458 21.92460       0.9410034 0.6185722      1.410515  
1 1 1 17  19 27 o 17.59494 0.6674821 3.106795       0.2336594 3.151198       0.3159991 3.053231       0.3470709 0.2816906      1.334964  
1 1 1 17  19 28 o 38.87013 0.7505111 15.13159       0.5713992 15.24467       0.9062156 15.05697       0.7361854 0.2194099      1.501022  
1 1 1 17  19 29 o 31.81167 1.384523  10.12808       0.8733385 8.420835       1.181571  12.18392       1.296603  -5.886703      2.769045  
1 1 1 17  19 30 o 39.27649 0.6761361 15.44221       0.5306801 16.34752       0.7648503 14.60182       0.7369186 2.218929       1.352272  
1 1 1 17  19 31 o 51.12708 0.7390130 26.10921       0.7535002 24.86131       1.019652  27.61053       1.118401  -2.674507      1.478026  
1 1 1 17  19 32 o 25.23351 0.6707948 6.284580       0.3356571 5.631555       0.4411199 7.182683       0.5173147 -3.063303      1.341590  
1 1 1 17  19 33 o 32.48291 0.6704912 10.57096       0.4350310 10.39318       0.5981488 10.77059       0.6338564 -0.5756531     1.340982  
1 1 1 17  19 34 f 20.12177 0.7398512 4.065629       0.2968776 4.103216       0.4057435 4.022320       0.4355342 0.2058697      1.479702  
1 1 1 17  19 35 o 18.64465 0.8690378 3.597059       0.3138281 4.405689       0.4311356 2.685737       0.4576939 4.617634       1.738076  
1 1 1 17  19 36 o 22.10433 0.8020957 4.814834       0.3507055 4.296166       0.4565499 5.561446       0.5477613 -2.843662      1.604191  
1 1 1 17  19 37 o 35.96462 0.8049833 12.99879       0.5785226 13.63503       0.8189680 12.36507       0.8173432 1.765247       1.609967  
1 1 1 17  20 0  o 101.3693 1.647728  102.8949       3.332530  98.93825       4.527514  107.5732       4.923120  -4.221748      3.295455  
1 1 1 17  20 1  o 96.02747 1.580147  92.18880       3.024252  87.99805       4.077695  97.31195       4.508565  -4.809525      3.160294  
1 1 1 17  20 2  o 52.54019 1.120305  27.66428       1.176910  27.66084       1.645573  27.66788       1.683892  -0.4089355E-02 2.240610  
1 1 1 17  20 3  o 55.97269 1.153157  31.14471       1.285475  34.55487       1.925853  28.40452       1.726341  5.479431       2.306315  
1 1 1 17  20 4  o 78.82350 1.370239  62.35048       2.159963  62.25180       3.034137  62.45189       3.075582  -0.1231308     2.740478  
1 1 1 17  20 5  o 62.88667 1.211249  39.65825       1.522969  39.53867       2.126376  39.78420       2.182322  -0.1905060     2.422498  
1 1 1 17  20 6  f 63.04947 1.213401  39.72263       1.525724  38.05050       2.065756  41.72954       2.263125  -2.900749      2.426802  
1 1 1 17  20 7  o 62.96383 1.208047  39.71713       1.519708  38.88901       2.093964  40.63876       2.209032  -1.379753      2.416094  
1 1 1 17  20 8  o 14.21504 1.906041  1.953507       0.5215941 1.105398       0.6680048 3.278287       0.8348829 -7.684558      3.812082  
1 1 1 17  20 9  o 55.34209 1.167527  30.72109       1.292095  31.15412       1.822045  30.28304       1.832598  0.7879295      2.335055  
1 1 1 17  20 10 o 29.34710 1.223856  8.519363       0.7131963 7.533859       0.9446047 9.826029       1.087685  -3.891157      2.447712  
1 1 1 17  20 11 o 64.89047 1.261432  42.10197       1.632717  40.13764       2.212631  44.45020       2.419191  -3.301151      2.522865  
1 1 1 17  20 12 o 60.85004 1.226318  36.99805       1.489060  39.93764       2.194737  34.49073       2.026954  4.457790       2.452636  
1 1 1 17  20 13 o 22.50341 1.456769  5.064818       0.6534044 4.777402       0.8806747 5.416770       0.9745458 -1.408003      2.913538  
1 1 1 17  20 14 o 42.50757 1.146805  18.12651       0.9731939 19.65746       1.394859  16.67440       1.358471  3.504738       2.293609  
1 1 1 17  20 15 o 49.67076 1.162064  24.77750       1.154037  25.22925       1.621910  24.31427       1.642393  0.9235191      2.324129  
1 1 1 17  20 16 o 33.07757 1.225175  11.05988       0.8042658 12.49108       1.128893  9.584682       1.146110  4.395523       2.450350  
1 1 1 17  20 17 o 51.25838 1.185369  25.89186       1.202415  23.02796       1.568000  29.98009       1.873415  -6.741543      2.370737  
1 1 1 17  20 18 o 51.35912 1.200873  26.50664       1.233282  26.77016       1.732881  26.23617       1.755588  0.5230331      2.401747  
1 1 1 17  20 19 f 54.26623 1.224201  29.58959       1.327129  31.57923       1.897906  27.68588       1.856468  3.581078       2.448401  
1 1 1 17  20 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  20 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  20 22 o 41.48565 1.863629  0.000000       0.000000  ?              ?         17.32630       1.546277  ?              ?         
1 1 1 17  20 23 o 39.10313 0.6304972 15.25118       0.4920381 16.57569       0.7223302 14.10455       0.6720783 3.155231       1.260994  
1 1 1 17  20 24 o 41.53127 0.6508967 17.25334       0.5395399 16.90469       0.7366027 17.65692       0.7925102 -0.9002800     1.301793  
1 1 1 17  20 25 o 55.73212 0.7523512 31.02195       0.8369288 33.04000       1.231786  29.29146       1.140653  3.352406       1.504702  
1 1 1 17  20 26 o 20.11014 1.274573  4.071150       0.3428883 4.081608       0.9554513 4.069604       0.3673599 -0.8610916E-01 2.549145  
1 1 1 17  20 27 o 36.37522 1.057327  13.37199       0.5909978 13.41014       0.6533152 13.20016       1.386561  0.4166641      2.114655  
1 1 1 17  20 28 o 22.52747 0.6439001 4.876912       0.2840526 3.901967       0.3626132 6.425348       0.4569829 -5.589911      1.287800  
1 1 1 17  20 29 o 17.16950 0.8260105 2.885008       0.2777150 3.313627       0.4512480 2.623681       0.3523473 1.993975       1.652021  
1 1 1 17  20 30 o 34.00877 0.6574111 11.49447       0.4449762 10.60607       0.5945224 12.62604       0.6709735 -2.959797      1.314822  
1 1 1 17  20 31 o 23.68518 0.6822121 5.636626       0.3224907 5.955201       0.4513588 5.304393       0.4609332 1.375217       1.364424  
1 1 1 17  20 32 o 32.59157 0.7026505 10.64087       0.4569494 10.85793       0.6722886 10.45448       0.6229734 0.6112137      1.405301  
1 1 1 17  20 33 o 31.64004 0.7256970 10.01110       0.4584641 10.71622       0.6710706 9.393950       0.6278206 2.082544       1.451394  
1 1 1 17  20 34 o 9.578238 1.299835  1.078431       0.2360281 1.533046       0.3093548 0.4451349      0.3651227 5.541906       2.599670  
1 1 1 17  20 35 f 19.07354 0.8187120 3.581513       0.3081626 3.227532       0.3982061 4.110026       0.4865709 -2.295139      1.637424  
1 1 1 17  20 36 o 25.73604 0.9305092 6.591392       0.4637390 6.947210       0.7662987 6.385780       0.5825148 1.048843       1.861018  
1 1 1 17  21 0  o 72.76184 1.315482  53.00320       1.910964  51.19273       2.610593  55.09318       2.804875  -2.662331      2.630963  
1 1 1 17  21 1  o 59.65784 1.199255  35.60225       1.429055  37.61528       2.085237  33.81952       1.962336  3.170940       2.398510  
1 1 1 17  21 2  o 57.35485 1.175733  32.98592       1.348230  32.98793       1.882596  32.98380       1.931723  0.7644653E-02  2.351466  
1 1 1 17  21 3  o 71.44218 1.302057  51.19701       1.860142  52.33259       2.657078  50.10552       2.604972  1.553848       2.604114  
1 1 1 17  21 4  o 34.39813 1.172069  11.80660       0.7993250 14.15227       1.174101  9.780213       1.091271  6.348030       2.344137  
1 1 1 17  21 5  o 66.90388 1.255364  44.91920       1.679529  45.26767       2.360860  44.56213       2.389830  0.5300674      2.510728  
1 1 1 17  21 6  o 12.65924 2.016893  1.576854       0.5278491 0.8214844      0.7000817 2.572006       0.8035518 -6.642048      4.033786  
1 1 1 17  21 7  o 25.88037 1.284909  6.706151       0.6637087 6.464479       0.9043096 6.988334       0.9771706 -1.004316      2.569818  
1 1 1 17  21 8  o 33.35149 1.178976  11.19158       0.7839604 12.06574       1.100271  10.29015       1.117300  2.663639       2.357952  
1 1 1 17  21 9  o 45.81726 1.131421  21.06131       1.036578  21.16800       1.454047  20.95104       1.478134  0.2391739      2.262843  
1 1 1 17  21 10 f 23.75511 1.385854  5.717661       0.6530148 6.294225       0.9014128 5.080901       0.9472999 2.559696       2.771708  
1 1 1 17  21 11 o 51.61485 1.178190  26.72962       1.215587  27.99812       1.739637  25.51931       1.699273  2.396553       2.356381  
1 1 1 17  21 12 o 41.89728 1.155420  17.60780       0.9666090 19.04596       1.388088  16.25385       1.346829  3.327156       2.310841  
1 1 1 17  21 13 o 32.76232 1.246248  10.82022       0.8089318 12.70852       1.157070  9.014884       1.131368  5.633680       2.492496  
1 1 1 17  21 14 f 32.74895 1.221027  10.76118       0.7973183 10.61753       1.082858  10.93127       1.178340  -0.4664192     2.442054  
1 1 1 17  21 15 f 76.31483 1.386493  58.18151       2.107220  63.14528       3.163405  54.22211       2.825294  5.793152       2.772986  
1 1 1 17  21 16 o 76.53980 1.389842  58.90182       2.125813  57.53997       2.935503  60.40357       3.082596  -1.846420      2.779684  
1 1 1 17  21 17 o 63.90154 1.281444  41.07332       1.637592  41.51707       2.310555  40.62544       2.321292  0.6993713      2.562887  
1 1 1 17  21 18 o 28.08175 1.330220  7.818076       0.7414554 6.831707       0.9820195 9.125975       1.130804  -4.059126      2.660439  
1 1 1 17  21 19 o 45.98736 1.206049  21.28563       1.108164  21.89517       1.548434  20.64565       1.586625  1.364765       2.412098  
1 1 1 17  21 20 o 40.32958 1.223061  16.33696       0.9848434 15.99852       1.348382  16.72396       1.441872  -0.8836975     2.446122  
1 1 1 17  21 21 o 40.29840 1.246438  16.19051       0.9960039 15.25831       1.310865  17.46369       1.531962  -2.696724      2.492876  
1 1 1 17  21 22 o 32.25108 1.898183  10.47894       1.224369  10.47894       1.224369  ?              ?         ?              ?         
1 1 1 17  21 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  21 24 o 50.44313 2.854906  0.000000       0.000000  ?              ?         25.93584       2.880208  ?              ?         
1 1 1 17  21 25 o 30.87047 0.6077155 9.534312       0.3745285 10.37399       0.5398169 8.754968       0.5200617 2.620174       1.215431  
1 1 1 17  21 26 o 26.32349 0.6039505 6.926435       0.3168245 6.768770       0.4281725 7.117218       0.4709981 -0.6572895     1.207901  
1 1 1 17  21 27 o 51.54173 0.7731434 26.52691       0.7930245 27.80594       1.192860  25.51388       1.061594  2.204983       1.546287  
1 1 1 17  21 28 o 29.06300 0.6392972 8.466220       0.3715372 8.501311       0.5213603 8.430010       0.5296025 0.1236935      1.278594  
1 1 1 17  21 29 o 33.51222 0.6903081 11.08689       0.4575163 12.41056       0.7146543 10.16763       0.5955579 3.329922       1.380616  
1 1 1 17  21 30 o 69.24332 2.844406  0.000000       0.000000  ?              ?         49.15608       3.939123  ?              ?         
1 1 1 17  21 31 o 47.11376 0.8703507 21.95637       0.8132845 25.15332       1.251950  19.62228       1.069739  5.834900       1.740701  
1 1 1 17  21 32 o 15.51630 0.8550199 2.469300       0.2592823 2.742839       0.3451696 2.115079       0.3927897 2.032084       1.710040  
1 1 1 17  21 33 o 11.12884 1.060567  1.230651       0.2329313 1.147300       0.3017677 1.353519       0.3663843 -0.9095783     2.121134  
1 1 1 17  21 34 o 14.86492 1.065324  2.136022       0.3101143 2.815537       0.4986802 1.707532       0.3959982 3.700009       2.130648  
1 1 1 17  21 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  22 0  o 47.67723 1.131155  22.78226       1.077661  24.16019       1.544200  21.47401       1.504655  2.813454       2.262311  
1 1 1 17  22 1  o 34.07291 1.140484  11.63294       0.7755521 11.47210       1.059609  11.81852       1.138195  -0.5010109     2.280968  
1 1 1 17  22 2  o 50.76797 1.161375  25.80129       1.177937  27.38166       1.709852  24.37374       1.625086  2.954208       2.322750  
1 1 1 17  22 3  f 54.27497 1.166231  29.54597       1.265155  29.33789       1.755713  29.77073       1.824679  -0.3919220     2.332462  
1 1 1 17  22 4  o 41.95713 1.129824  17.66187       0.9466699 18.94620       1.349452  16.41734       1.328383  3.011555       2.259648  
1 1 1 17  22 5  o 39.14056 1.153819  15.01882       0.8906241 19.06998       1.372310  12.07078       1.170654  8.920319       2.307638  
1 1 1 17  22 6  o 25.93496 1.292427  6.633399       0.6640809 5.638821       0.8764871 7.973794       1.017519  -4.484573      2.584854  
1 1 1 17  22 7  o 27.29595 1.314615  7.537950       0.7094833 8.871963       1.005917  6.217413       1.000824  4.861885       2.629230  
1 1 1 17  22 8  o 36.21819 1.163489  13.08642       0.8395467 12.26457       1.128366  14.10561       1.256547  -2.526344      2.326977  
1 1 1 17  22 9  o 46.51906 1.176571  21.68925       1.093200  23.32662       1.580466  20.18723       1.513730  3.366116       2.353142  
1 1 1 17  22 10 o 10.28465 2.424840  1.011274       0.5953007 1.275942       0.8137063 0.7064877      0.8732039 1.737346       4.849681  
1 1 1 17  22 11 o 8.540730 2.329425  0.4872531      0.5627489 0.4338529      0.7674929 0.5493443      0.8275954 -0.5422812     4.658851  
1 1 1 17  22 12 o 44.02422 1.194032  19.37868       1.048166  21.60520       1.537486  17.44526       1.432716  4.710449       2.388064  
1 1 1 17  22 13 o 25.13412 1.419019  6.364500       0.7108859 6.421027       0.9687033 6.298532       1.046485  0.2566776      2.838037  
1 1 1 17  22 14 f 34.72890 1.242577  12.13892       0.8606843 13.26733       1.223903  11.03493       1.210589  3.212013       2.485153  
1 1 1 17  22 15 o 60.76371 1.261800  37.11798       1.532177  36.71492       2.119390  37.55925       2.217595  -0.6788445     2.523600  
1 1 1 17  22 16 o 57.41458 1.253321  33.13317       1.437936  35.12953       2.062915  31.24658       2.005402  3.371883       2.506642  
1 1 1 17  22 17 o 41.85284 1.224150  17.58629       1.022463  17.17037       1.394041  18.07054       1.504195  -1.057064      2.448300  
1 1 1 17  22 18 o 37.68082 1.242226  14.19402       0.9320556 13.36981       1.248969  15.22991       1.400209  -2.442108      2.484453  
1 1 1 17  22 19 o 56.45793 1.258764  32.05890       1.420749  33.34004       2.038426  30.84859       1.981277  2.196037       2.517528  
1 1 1 17  22 20 o 40.09652 1.266229  16.10489       1.011626  15.32017       1.361359  17.07255       1.511741  -2.157242      2.532458  
1 1 1 17  22 21 o 45.11170 1.245829  20.51563       1.121686  20.97119       1.547785  20.01172       1.627847  1.078838       2.491659  
1 1 1 17  22 22 o 54.95422 1.272685  30.33100       1.395657  28.99344       1.897907  31.90603       2.059494  -2.615459      2.545371  
1 1 1 17  22 23 o 52.27869 1.277070  27.49653       1.332913  26.67170       1.821584  28.44719       1.955589  -1.668030      2.554141  
1 1 1 17  22 24 f 41.44460 1.160105  17.23426       0.9616016 17.23426       0.9616016 ?              ?         ?              ?         
1 1 1 17  22 25 o 5.780972 1.011769  0.3605000      0.1215142 0.4911586      0.1635922 0.1996839      0.1814924 2.218647       2.023537  
1 1 1 17  22 26 o 32.17318 0.6804091 10.36131       0.4372153 10.09171       0.5998585 10.66683       0.6385890 -0.8887119     1.360818  
1 1 1 17  22 27 o 14.06364 0.7286642 1.983164       0.2034224 1.978686       0.2714616 1.988900       0.3072090 -0.3112316E-01 1.457328  
1 1 1 17  22 28 o 37.41749 0.7443506 14.04416       0.5568954 14.49433       0.7937979 13.60786       0.7814847 1.182606       1.488701  
1 1 1 17  22 29 o 34.24304 0.7284306 11.76424       0.4986785 12.21409       0.7091408 11.32416       0.7013987 1.298183       1.456861  
1 1 1 17  22 30 o 56.27698 0.9666328 31.77320       1.086269  33.39038       1.591846  30.36384       1.486040  2.665985       1.933266  
1 1 1 17  22 31 o 20.13159 0.8932713 4.110600       0.3285003 4.164809       0.3930987 3.985105       0.5981065 0.4887867      1.786543  
1 1 1 17  22 32 o 21.21787 0.9107801 4.694390       0.3723599 3.638332       0.5632505 5.514239       0.4962777 -4.435492      1.821560  
1 1 1 17  22 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  23 0  o 44.70032 1.158877  20.00491       1.034561  21.53505       1.502070  18.62391       1.426995  3.248051       2.317754  
1 1 1 17  23 1  o 80.53899 1.420613  65.22558       2.288166  65.20818       3.218782  65.24334       3.253406  -0.1704407E-01 2.841225  
1 1 1 17  23 2  o 44.06509 1.152463  19.48471       1.014312  19.38322       1.397112  19.59782       1.474960  -0.2345238     2.304926  
1 1 1 17  23 3  o 61.29279 1.243069  37.71159       1.523234  39.16760       2.183783  36.33195       2.125747  2.305801       2.486139  
1 1 1 17  23 4  o 58.19662 1.231538  33.91874       1.430183  32.60567       1.945118  35.46400       2.110111  -2.434605      2.463076  
1 1 1 17  23 5  o 94.44986 1.595409  89.81747       3.011722  88.22110       4.170045  91.55806       4.354367  -1.735672      3.190818  
1 1 1 17  23 6  o 55.23561 1.208890  30.51917       1.332493  33.40445       1.952023  28.00159       1.823404  4.874241       2.417781  
1 1 1 17  23 7  o 50.42467 1.181602  25.53348       1.191258  26.42414       1.694093  24.66230       1.675450  1.744614       2.363204  
1 1 1 17  23 8  o 23.15908 1.537129  5.412445       0.7104743 5.571025       0.9827530 5.238817       1.028320  0.7250919      3.074258  
1 1 1 17  23 9  o 19.51434 1.750487  3.813731       0.6785476 3.242872       0.9181017 4.500919       1.007313  -3.205328      3.500975  
1 1 1 17  23 10 f 42.89195 1.191815  18.11996       1.012125  15.73865       1.325155  21.45412       1.568023  -6.627895      2.383629  
1 1 1 17  23 11 o 60.31448 1.253570  36.59131       1.511595  37.13742       2.119149  36.02563       2.156784  0.9275360      2.507139  
1 1 1 17  23 12 o 50.86835 1.209712  25.99348       1.228840  25.65562       1.686987  26.37539       1.793593  -0.6908188     2.419425  
1 1 1 17  23 13 o 18.29619 1.984538  3.546199       0.6840057 4.382888       0.9443730 2.622900       0.9920473 5.076857       3.969076  
1 1 1 17  23 14 o 32.26514 1.285624  10.44766       0.8268136 10.14650       1.117583  10.81182       1.228912  -1.011595      2.571248  
1 1 1 17  23 15 o 27.89409 1.388327  7.872429       0.7711083 8.515278       1.074811  7.190597       1.106921  2.380598       2.776653  
1 1 1 17  23 16 f 10.36875 2.511360  0.9931686      0.6521533 1.398348       0.8740714 0.4843817      0.9794696 2.492044       5.022719  
1 1 1 17  23 17 o 54.95022 1.260745  30.24086       1.380205  28.75895       1.855989  32.07429       2.064415  -2.978241      2.521490  
1 1 1 17  23 18 o 51.62897 1.253971  26.84107       1.294256  27.71268       1.828435  25.96580       1.832280  1.692490       2.507943  
1 1 1 17  23 19 f 19.78552 1.836219  4.055518       0.7108432 4.566375       0.9550681 3.421056       1.064357  2.925777       3.672437  
1 1 1 17  23 20 o 26.85964 1.555370  7.409986       0.8188646 8.966521       1.148221  5.798990       1.168135  5.901651       3.110741  
1 1 1 17  23 21 o 42.70664 1.281679  18.39057       1.091837  18.42676       1.491888  18.34884       1.602186  0.1161041      2.563358  
1 1 1 17  23 22 o 23.53823 1.661942  5.626735       0.7792727 5.737901       1.062264  5.497196       1.146688  0.5360641      3.323884  
1 1 1 17  23 23 o 49.17742 1.512116  24.45828       1.444828  24.51247       2.338670  24.42483       1.837418  -0.4777908E-01 3.024232  
1 1 1 17  23 24 o 66.24386 2.713673  0.000000       0.000000  ?              ?         44.76449       3.595284  ?              ?         
1 1 1 17  23 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  23 26 o 14.31943 0.6328201 2.064999       0.1803778 2.214187       0.2497844 1.902419       0.2607545 1.090079       1.265640  
1 1 1 17  23 27 o 36.68455 0.7240618 13.49116       0.5308112 13.24605       0.7335610 13.76057       0.7690571 -0.6955490     1.448124  
1 1 1 17  23 28 o 25.16701 0.6615924 6.360353       0.3324941 6.696412       0.4670851 6.015125       0.4734140 1.354464       1.323185  
1 1 1 17  23 29 o 44.50513 0.8203580 19.89702       0.7301173 20.03426       1.026938  19.75675       1.038239  0.3139496      1.640716  
1 1 1 17  23 30 o 25.11244 0.9999852 0.000000       0.000000  ?              ?         6.328771       0.5022414 ?              ?         
1 1 1 17  23 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  23 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  24 0  o 27.36934 1.313663  7.372696       0.7111080 6.154674       0.9350237 9.043699       1.095176  -5.255318      2.627326  
1 1 1 17  24 1  o 25.33092 1.347015  6.434437       0.6813450 5.977361       0.9377337 6.945596       0.9916608 -1.903267      2.694029  
1 1 1 17  24 2  o 57.54265 1.217894  33.17056       1.398759  31.85417       1.905637  34.70826       2.059611  -2.459160      2.435789  
1 1 1 17  24 3  o 62.07138 1.266366  38.66256       1.570633  40.98946       2.270746  36.52818       2.174783  3.579895       2.532732  
1 1 1 17  24 4  o 77.63838 1.413977  60.63443       2.194890  62.38200       3.150601  58.98648       3.059489  2.171822       2.827955  
1 1 1 17  24 5  o 81.06029 1.446316  65.91093       2.339436  70.00939       3.454058  62.43739       3.179850  4.623543       2.892632  
1 1 1 17  24 6  f 39.29407 1.234097  15.51266       0.9692150 15.29979       1.342808  15.74418       1.400357  -0.5568275     2.468193  
1 1 1 17  24 7  o 61.84766 1.276451  38.46638       1.578338  38.27141       2.200180  38.67310       2.265465  -0.3143044     2.552903  
1 1 1 17  24 8  o 34.08892 1.307841  11.69342       0.8909382 11.70302       1.235744  11.68303       1.285694  0.3775024E-01  2.615682  
1 1 1 17  24 9  o 34.32488 1.278099  11.73480       0.8729579 10.57471       1.167354  13.20661       1.314866  -3.808823      2.556197  
1 1 1 17  24 10 o 23.28912 1.653342  5.352789       0.7381808 3.505747       0.9705371 7.887784       1.137005  -9.371941      3.306684  
1 1 1 17  24 11 o 54.41131 1.242831  29.60165       1.347505  27.75245       1.812996  31.88397       2.014159  -3.762474      2.485661  
1 1 1 17  24 12 o 8.070125 2.358996  0.8816782E-01  0.6294522 -0.2754505     0.8341564 0.5690288      0.9592556 -2.400477      4.717992  
1 1 1 17  24 13 f 37.83922 1.260296  14.40404       0.9524041 14.29132       1.309946  14.53044       1.387175  -0.3019714     2.520591  
1 1 1 17  24 14 o 13.21643 2.395228  1.786768       0.6506804 1.172725       0.8675894 2.576187       0.9837137 -4.765089      4.790456  
1 1 1 17  24 15 o 21.66490 1.676367  4.704297       0.7196152 4.441779       0.9449061 5.066813       1.110382  -1.401363      3.352735  
1 1 1 17  24 16 o 16.10225 2.196069  2.722180       0.6871498 2.930852       0.9280985 2.469016       1.022265  1.755471       4.392138  
1 1 1 17  24 17 o 24.22075 1.641989  5.937270       0.7932932 5.885129       1.081113  5.998093       1.167649  -0.2093830     3.283978  
1 1 1 17  24 18 o 22.76599 1.737847  5.309453       0.7830251 6.019872       1.089469  4.550361       1.126172  3.238482       3.475694  
1 1 1 17  24 19 o 29.57847 1.486042  8.876675       0.8719200 10.27441       1.242608  7.520997       1.223770  4.649532       2.972085  
1 1 1 17  24 20 o 24.32092 1.764443  6.084957       0.8454029 7.094773       1.176764  5.007871       1.215328  4.302271       3.528886  
1 1 1 17  24 21 o 34.80089 2.119851  0.000000       0.000000  ?              ?         12.25336       1.475454  ?              ?         
1 1 1 17  24 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  24 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  24 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  24 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  24 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  24 27 o 16.58332 0.6290619 2.712036       0.2068433 2.314348       0.2740113 3.238839       0.3153710 -2.781358      1.258124  
1 1 1 17  24 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  24 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  24 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 0  o 80.34504 1.785277  64.91446       2.868764  64.91446       2.868764  ?              ?         ?              ?         
1 1 1 17  25 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 2  f 62.21075 1.829596  0.000000       0.000000  ?              ?         38.93690       2.276411  ?              ?         
1 1 1 17  25 3  o 43.53514 1.221056  19.01611       1.061379  20.64416       1.537540  17.53407       1.466980  3.560677       2.442112  
1 1 1 17  25 4  o 30.58426 1.359594  9.439066       0.8232132 11.21847       1.184216  7.775088       1.145164  5.622341       2.719187  
1 1 1 17  25 5  o 15.89481 2.140612  2.715792       0.6519648 3.313333       0.8804485 1.990381       0.9700911 4.412012       4.281223  
1 1 1 17  25 6  o 8.713223 2.379269  0.4933677      0.5977345 0.7369559      0.8178513 0.2140596      0.8757659 1.226893       4.758538  
1 1 1 17  25 7  o 45.53505 1.229215  20.83127       1.118446  20.31140       1.542802  21.40713       1.623742  -1.189568      2.458429  
1 1 1 17  25 8  o 45.71585 1.245904  20.88891       1.135223  23.31665       1.681584  18.85595       1.538798  4.853947       2.491808  
1 1 1 17  25 9  o 26.48676 1.456721  7.064992       0.7696486 6.932848       1.046907  7.220410       1.135360  -0.5243683     2.913442  
1 1 1 17  25 10 o 60.53590 1.318897  36.58883       1.589864  41.06627       2.378683  32.97355       2.137432  6.637806       2.637795  
1 1 1 17  25 11 o 34.42645 1.326720  11.67125       0.9025872 10.20358       1.172069  13.80984       1.414830  -5.190319      2.653440  
1 1 1 17  25 12 o 37.70679 1.301843  14.34810       0.9767099 14.61155       1.323099  14.03261       1.447871  0.7921143      2.603685  
1 1 1 17  25 13 o 32.69432 1.390073  10.54306       0.8983459 8.779337       1.178448  12.98991       1.388031  -6.393024      2.780146  
1 1 1 17  25 14 o 45.01420 1.263044  20.37808       1.135840  19.60231       1.562009  21.24858       1.654630  -1.808865      2.526087  
1 1 1 17  25 15 o 65.45614 1.357116  43.19861       1.775053  42.40538       2.450467  44.07434       2.574751  -1.245346      2.714232  
1 1 1 17  25 16 o 39.36133 1.312031  15.69116       1.028431  16.72669       1.423939  14.56196       1.486949  2.764328       2.624062  
1 1 1 17  25 17 o 20.12533 2.288485  4.215337       0.8850776 4.206588       1.377026  4.221496       1.155334  -0.4330254     4.576971  
1 1 1 17  25 18 o 28.85627 2.239276  0.000000       0.000000  ?              ?         8.434254       1.292343  ?              ?         
1 1 1 17  25 19 o 33.64332 2.714612  0.000000       0.000000  ?              ?         11.54411       1.826571  ?              ?         
1 1 1 17  25 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  25 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 0  o 14.44198 0.5796048 2.046603       0.1651782 2.588330       0.2526241 1.642050       0.2183094 3.273443       1.159210  
1 1 1 17  26 1  o 45.01933 0.9973549 20.21980       0.7426203 20.12221       0.8394385 20.57117       1.592817  -0.3995781     1.994710  
1 1 1 17  26 2  o 22.30529 2.247067  5.024817       1.002429  5.024817       1.002429  ?              ?         ?              ?         
1 1 1 17  26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 5  o 56.59587 1.871693  0.000000       0.000000  ?              ?         32.26250       2.118602  ?              ?         
1 1 1 17  26 6  f 12.45952 2.445184  1.504988       0.6744024 0.6910113      0.8988358 2.553488       1.020137  -6.090245      4.890367  
1 1 1 17  26 7  o 54.65649 1.272034  30.07686       1.389839  31.29993       1.974382  28.87549       1.956793  2.214577       2.544068  
1 1 1 17  26 8  o 37.23882 1.316812  13.98592       0.9788362 14.24247       1.350524  13.70201       1.420709  0.7397461      2.633624  
1 1 1 17  26 9  o 82.65317 1.503500  69.00796       2.484949  68.78949       3.479536  69.23536       3.550021  -0.2528152     3.007001  
1 1 1 17  26 10 o 46.25080 1.275091  21.53794       1.176290  21.31661       1.601919  21.79692       1.732833  -0.4913101     2.550182  
1 1 1 17  26 11 o 28.85665 1.466101  8.438287       0.8436180 8.852286       1.168982  7.988335       1.218682  1.509598       2.932202  
1 1 1 17  26 12 o 13.35327 2.335135  1.863348       0.7300666 3.162050       0.9950451 0.3490669      1.074463  8.509505       4.670269  
1 1 1 17  26 13 o 15.25609 2.974682  2.377977       0.8939254 2.966239       1.565606  2.093427       1.088871  2.545835       5.949363  
1 1 1 17  26 14 o 41.89723 1.933824  0.000000       0.000000  ?              ?         17.71877       1.620438  ?              ?         
1 1 1 17  26 15 o 29.94802 2.881053  0.000000       0.000000  ?              ?         9.161126       1.725637  ?              ?         
1 1 1 17  26 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  26 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 0  o 34.57558 0.6038457 11.96454       0.4174158 12.31453       0.6000077 11.63628       0.5810772 0.9791260      1.207691  
1 1 1 17  27 1  o 17.05975 0.5519717 2.860628       0.1860050 3.584403       0.2834312 2.313108       0.2465166 3.722955       1.103943  
1 1 1 17  27 2  o 14.88810 1.822651  2.414049       0.2317266 2.428521       0.2380554 2.152670       1.011690  1.371439       3.645302  
1 1 1 17  27 3  o 9.467477 2.484064  0.6208441      0.6486217 0.1600301      0.8808530 1.166659       0.9586573 -2.977484      4.968129  
1 1 1 17  27 4  o 15.51395 2.242711  2.589614       0.6789190 3.218949       0.9264241 1.859542       0.9978191 4.577494       4.485421  
1 1 1 17  27 5  o 59.24026 1.829016  35.37423       2.167027  35.37423       2.167027  ?              ?         ?              ?         
1 1 1 17  27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 9  o 35.06599 1.924358  13.52456       1.234850  9.398506       2.001103  16.06196       1.569266  -9.638468      3.848715  
1 1 1 17  27 10 f 21.83733 2.739166  5.021986       1.153161  5.025197       1.779877  5.019664       1.513861  -0.4872532     5.478332  
1 1 1 17  27 11 o 16.61777 4.621842  0.000000       0.000000  ?              ?         3.004234       1.591050  ?              ?         
1 1 1 17  27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  27 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 0  o 49.99505 1.049185  25.99039       0.9093405 26.93093       1.061122  23.38999       1.764403  3.664902       2.098370  
1 1 1 17  28 1  o 50.82317 0.7211935 25.75657       0.7308646 27.75683       1.086167  24.10157       0.9879916 3.583576       1.442387  
1 1 1 17  28 2  o 34.66331 0.6217985 11.84980       0.4269617 10.72969       0.5586508 13.42300       0.6620662 -3.873600      1.243597  
1 1 1 17  28 3  o 36.23419 1.573500  13.62404       1.083712  14.49354       1.364111  12.13623       1.784372  3.366806       3.147001  
1 1 1 17  28 4  o 28.10220 2.086628  8.001993       1.165925  8.685616       1.768909  7.476861       1.550355  2.069838       4.173257  
1 1 1 17  28 5  o 43.27490 1.801043  19.05775       1.556676  18.12582       2.217299  19.96354       2.185979  -2.133369      3.602086  
1 1 1 17  28 6  o 49.24700 2.746893  24.72274       2.705524  24.72274       2.705524  ?              ?         ?              ?         
1 1 1 17  28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  28 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 0  f 31.09374 0.6481186 9.680441       0.4028004 9.429675       0.5577962 9.953708       0.5822842 -0.8396664     1.296237  
1 1 1 17  29 1  o 36.32020 0.7074206 13.18573       0.5130627 12.38913       0.7030803 14.09313       0.7503884 -2.339386      1.414841  
1 1 1 17  29 2  o 7.486577 0.8101526 0.5395382      0.1156117 0.7323940      0.1910201 0.4280575      0.1452321 2.113422       1.620305  
1 1 1 17  29 3  o 35.99002 0.6914197 12.97066       0.4971796 13.34379       0.7230173 12.63595       0.6847763 0.9781532      1.382839  
1 1 1 17  29 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  29 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 0  o 22.22405 0.6282901 4.957307       0.2774659 4.250985       0.3870064 5.704391       0.3980173 -3.268394      1.256580  
1 1 1 17  30 1  o 68.32690 1.102030  47.02565       1.505514  47.67756       2.160970  46.41082       2.098634  0.9117126      2.204059  
1 1 1 17  30 2  o 52.53401 0.8950801 27.73501       0.9403096 27.91185       1.342862  27.56489       1.317109  0.3250732      1.790160  
1 1 1 17  30 3  o 97.33223 1.510414  96.04037       2.938802  97.81230       4.236203  94.39643       4.080362  1.702339       3.020829  
1 1 1 17  30 4  o 65.98232 1.510992  43.84696       1.993975  43.84696       1.993975  ?              ?         ?              ?         
1 1 1 17  30 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  30 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  31 0  o 38.87529 0.7483816 15.15115       0.5812358 15.51887       0.8456810 14.82193       0.8001874 0.8884735      1.496763  
1 1 1 17  31 1  o 36.70961 0.7211755 13.49733       0.5285432 13.92454       0.7752637 13.12632       0.7224715 1.078274       1.442351  
1 1 1 17  31 2  o 44.59400 0.8002699 19.88147       0.7113994 21.05594       1.059460  18.91713       0.9600160 2.379108       1.600540  
1 1 1 17  31 3  o 7.052269 1.045672  0.000000       0.000000  ?              ?         0.4992180      0.1474872 ?              ?         
1 1 1 17  31 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  31 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  31 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  31 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  31 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  31 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  31 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  32 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  32 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  32 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  32 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 17  32 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  0  0  o 153.4815 2.309327  235.6721       7.073378  243.3887       10.30916  228.8079       9.723081  -0.000000      0.000000  
1 1 1 18  0  1  o 80.00504 1.814302  64.12012       2.899746  64.12012       2.899746  64.12012       2.899746  -0.000000      0.000000  
1 1 1 18  0  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  0  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  0  4  o 53.65457 1.368951  28.84799       1.466890  28.84799       1.466890  28.84799       1.466890  -0.000000      0.000000  
1 1 1 18  0  5  o 57.43670 1.018996  32.97721       1.166957  31.75490       1.595033  34.38502       1.711799  -0.000000      0.000000  
1 1 1 18  0  6  o 88.73538 1.400154  78.88022       2.482111  78.91605       3.509029  78.84435       3.511443  -0.000000      0.000000  
1 1 1 18  0  7  o 13.89683 1.208809  2.042489       0.3144604 2.435939       0.4363885 1.617513       0.4535354 -0.000000      0.000000  
1 1 1 18  0  8  o 66.86124 1.120889  44.75596       1.496210  43.84339       2.075242  45.74384       2.159176  -0.000000      0.000000  
1 1 1 18  0  9  o 41.97685 0.8804483 17.66992       0.7376294 17.70601       1.035056  17.63269       1.051469  -0.000000      0.000000  
1 1 1 18  0  10 o 44.05242 0.8922603 19.43035       0.7837866 18.94413       1.077786  19.97610       1.141871  -0.000000      0.000000  
1 1 1 18  0  11 o 68.68181 1.154952  47.09845       1.580933  44.89204       2.149500  49.69843       2.333353  -0.000000      0.000000  
1 1 1 18  0  12 o 310.1661 4.588953  967.7764       28.43886  965.9174       40.14248  969.6497       40.29519  -0.000000      0.000000  
1 1 1 18  0  13 o 75.37746 1.242329  56.89732       1.869597  55.98052       2.593786  57.88874       2.697268  -0.000000      0.000000  
1 1 1 18  0  14 o 173.5742 2.599824  302.2197       9.016121  302.2856       12.78307  302.1544       12.71862  -0.000000      0.000000  
1 1 1 18  0  15 o 91.41534 1.443374  83.74035       2.635898  83.22019       3.707479  84.27202       3.748302  -0.000000      0.000000  
1 1 1 18  0  16 f 154.7562 2.327697  240.1650       7.195244  236.8789       10.03386  243.6435       10.32354  -0.000000      0.000000  
1 1 1 18  0  17 o 73.54642 1.212164  54.19949       1.780663  53.60928       2.495972  54.81123       2.541111  -0.000000      0.000000  
1 1 1 18  0  18 o 73.49881 1.209492  54.00671       1.772122  56.16354       2.608706  52.15857       2.414826  -0.000000      0.000000  
1 1 1 18  0  19 o 250.1631 3.721283  630.5484       18.59569  622.9625       25.95819  638.5454       26.65210  -0.000000      0.000000  
1 1 1 18  0  20 o 147.3635 2.225490  217.3792       6.537308  209.4616       8.889403  226.7046       9.647336  -0.000000      0.000000  
1 1 1 18  0  21 f 84.84908 1.357903  72.16496       2.301133  72.93678       3.298080  71.43282       3.212205  -0.000000      0.000000  
1 1 1 18  0  22 o 20.73112 0.9771956 4.356260       0.3856316 2.955016       0.5218473 6.042017       0.5723796 -0.000000      0.000000  
1 1 1 18  0  23 o 18.42743 0.9929495 3.354770       0.3561839 4.154768       0.5639286 2.823804       0.4594232 -0.000000      0.000000  
1 1 1 18  0  24 o 59.75832 1.057476  35.74803       1.261041  34.28265       1.741240  37.36438       1.828738  -0.000000      0.000000  
1 1 1 18  0  25 o 78.04376 1.278310  60.76680       1.986069  57.45534       2.676842  64.82203       2.962243  -0.000000      0.000000  
1 1 1 18  0  26 o 60.60421 1.067171  36.79892       1.290586  37.58131       1.872091  36.09034       1.781597  -0.000000      0.000000  
1 1 1 18  0  27 o 7.403485 1.459554  0.4565607      0.2945050 1.543576       0.4624405 -0.2851145     0.3819838 -0.000000      0.000000  
1 1 1 18  0  28 o 63.87201 1.111525  40.89303       1.417523  39.75035       1.974915  42.10728       2.035832  -0.000000      0.000000  
1 1 1 18  0  29 o 90.58601 2.061798  82.38054       3.731099  82.38054       3.731099  82.38054       3.731099  -0.000000      0.000000  
1 1 1 18  0  30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  0  31 o 5.239101 2.029748  0.3824033      0.3139091 0.1864325      0.5011718 0.5089198      0.4026841 -0.000000      0.000000  
1 1 1 18  0  32 o 21.44110 0.9893011 4.500848       0.4121147 5.931911       0.6517907 3.547684       0.5319397 -0.000000      0.000000  
1 1 1 18  0  33 o 31.66136 0.8917057 9.985088       0.5578635 10.81596       0.8587850 9.378528       0.7337610 -0.000000      0.000000  
1 1 1 18  0  34 o 46.46667 0.9629912 21.64890       0.8915750 22.18450       1.307702  21.18368       1.218747  -0.000000      0.000000  
1 1 1 18  0  35 o 59.85810 1.090981  35.88373       1.300594  37.22577       1.924768  34.75611       1.764324  -0.000000      0.000000  
1 1 1 18  0  36 o 35.07851 0.9221343 12.39784       0.6438022 11.73260       0.9197601 13.03688       0.9014632 -0.000000      0.000000  
1 1 1 18  0  37 f 14.99810 1.318619  2.320038       0.3882762 2.331979       0.5919880 2.311023       0.5143682 -0.000000      0.000000  
1 1 1 18  0  38 o 33.81251 0.9495753 11.53201       0.6379027 10.49263       0.9018675 12.57260       0.9023941 -0.000000      0.000000  
1 1 1 18  0  39 o 89.47090 1.460158  80.52644       2.608549  78.37800       3.622935  82.83918       3.758913  -0.000000      0.000000  
1 1 1 18  0  40 o 28.16561 1.001090  7.949847       0.5531205 8.378999       0.8660868 7.654244       0.7188023 -0.000000      0.000000  
1 1 1 18  0  41 o 5.542957 2.168228  0.4053611      0.3754591 0.7141618E-01  0.5914564 0.6307660      0.4859225 -0.000000      0.000000  
1 1 1 18  0  42 f 10.03008 2.307417  1.241305       0.3964751 1.498196       0.6622806 1.097815       0.4949690 -0.000000      0.000000  
1 1 1 18  0  43 o 54.11666 1.076288  29.39464       1.159601  30.31341       1.715590  28.62181       1.573460  -0.000000      0.000000  
1 1 1 18  0  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  0  45 o 25.65370 1.158359  6.771875       0.5800106 6.125558       0.8731272 7.282345       0.7759609 -0.000000      0.000000  
1 1 1 18  0  46 o 24.07310 1.158881  5.872920       0.5442837 6.065471       0.8522998 5.740314       0.7072899 -0.000000      0.000000  
1 1 1 18  0  47 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  1  0  f 52.05666 0.9477006 26.97848       0.9835967 25.58596       1.328478  28.66798       1.463307  -2.959118      1.895401  
1 1 1 18  1  1  o 175.2996 2.256363  308.7966       7.502098  311.1994       9.263018  304.2158       12.78975  2.062653       4.512727  
1 1 1 18  1  2  o 87.98460 0.9809266 77.16969       1.721680  80.94946       2.547800  73.99316       2.335655  3.951225       1.961853  
1 1 1 18  1  3  o 148.2736 1.819768  220.0433       5.396428  220.2057       7.648378  219.8822       7.615133  0.1085510      3.639536  
1 1 1 18  1  4  f 118.7534 3.639042  141.2806       8.642975  141.2806       8.642975  ?              ?         ?              ?         
1 1 1 18  1  5  o 128.6240 3.897574  165.8022       10.02643  165.8022       10.02643  ?              ?         ?              ?         
1 1 1 18  1  6  o 117.1610 1.786185  137.0523       4.177453  132.1208       5.699053  142.7790       6.141328  -4.540192      3.572370  
1 1 1 18  1  7  o 129.2505 1.686286  168.3120       4.155616  163.4907       6.980834  170.9582       5.171819  -2.921738      3.372572  
1 1 1 18  1  8  o 210.2253 2.203254  442.5120       9.261262  447.9508       13.27627  437.3567       12.92557  2.510895       4.406508  
1 1 1 18  1  9  o 159.4277 1.685646  254.4011       5.374481  252.9604       7.553895  255.8781       7.648314  -0.9131470     3.371291  
1 1 1 18  1  10 o 116.4514 1.257967  135.6745       2.929614  136.7432       4.174491  134.6374       4.112406  0.9031219      2.515934  
1 1 1 18  1  11 o 81.99139 0.9289314 66.69385       1.513896  62.55523       2.010429  72.11416       2.300768  -5.825302      1.857863  
1 1 1 18  1  12 o 50.57542 0.6684936 25.56620       0.6759136 26.19888       0.9729697 24.97609       0.9396720 1.208534       1.336987  
1 1 1 18  1  13 o 99.18851 1.090646  98.40773       2.163062  99.77113       3.100667  97.11516       3.019030  1.337372       2.181291  
1 1 1 18  1  14 o 146.6447 1.559109  215.2703       4.571748  212.8244       6.387625  217.8391       6.546144  -1.705185      3.118218  
1 1 1 18  1  15 o 119.3849 1.288226  142.5734       3.074173  139.8961       4.262662  145.4750       4.437692  -2.331657      2.576452  
1 1 1 18  1  16 o 109.1310 1.188552  119.1472       2.593133  121.2675       3.731047  117.1660       3.606607  1.875664       2.377104  
1 1 1 18  1  17 o 116.0146 1.256144  134.7477       2.914502  134.0457       4.099566  135.4651       4.144253  -0.6102142     2.512287  
1 1 1 18  1  18 f 98.75003 1.089000  97.61363       2.150734  98.03040       3.053261  97.20317       3.030067  0.4180832      2.178001  
1 1 1 18  1  19 f 117.1300 1.267512  137.3784       2.968852  138.7891       4.241784  136.0237       4.156691  1.176903       2.535023  
1 1 1 18  1  20 o 100.6278 1.107367  101.3083       2.227247  103.4634       3.218854  99.32878       3.085014  2.049095       2.214734  
1 1 1 18  1  21 o 65.49144 0.7855964 42.87549       1.028200  44.08391       1.490194  41.77747       1.420498  1.758553       1.571193  
1 1 1 18  1  22 o 21.82493 0.6390596 4.707114       0.2746749 3.661661       0.3684446 6.015053       0.4121109 -5.390272      1.278119  
1 1 1 18  1  23 f 44.70336 0.6433021 19.67924       0.5702615 22.56896       0.8787746 17.57716       0.7495059 5.579250       1.286604  
1 1 1 18  1  24 o 80.86787 0.9246462 65.30053       1.492467  68.17825       2.196806  62.83374       2.033927  3.296616       1.849292  
1 1 1 18  1  25 o 34.46194 0.6006106 11.87924       0.4138955 12.08888       0.5919281 11.67869       0.5789605 0.5947113      1.201221  
1 1 1 18  1  26 o 83.10492 0.9483646 69.16782       1.576247  68.93630       2.221168  69.40270       2.237218  -0.2797012     1.896729  
1 1 1 18  1  27 o 58.50240 0.9090710 34.98707       1.022406  31.53220       1.649544  37.14227       1.302840  -4.816090      1.818142  
1 1 1 18  1  28 o 29.86517 0.8820500 8.947293       0.5257626 8.667298       0.7611159 9.202841       0.7271292 -0.8987064     1.764100  
1 1 1 18  1  29 o 30.03553 0.7526116 9.238065       0.4290562 9.742571       0.5372388 8.349625       0.7129317 2.329117       1.505223  
1 1 1 18  1  30 o 59.09792 0.7510529 34.97323       0.8877068 35.15040       1.257763  34.79740       1.253064  0.2983589      1.502106  
1 1 1 18  1  31 o 54.11319 1.006440  29.35863       1.088512  29.22710       1.510574  29.50070       1.569919  -0.2470093     2.012880  
1 1 1 18  1  32 o 38.25565 0.7635032 14.45552       0.5543458 15.30250       0.9601606 14.03204       0.6789303 1.638165       1.527006  
1 1 1 18  1  33 o 13.82304 0.9163991 1.925409       0.2511669 2.225466       0.3563727 1.629257       0.3540459 2.156342       1.832798  
1 1 1 18  1  34 o 30.75099 0.6408168 9.461348       0.3937949 8.937995       0.5488933 10.01643       0.5652887 -1.752226      1.281634  
1 1 1 18  1  35 o 45.36700 0.6759533 20.61590       0.6132850 20.68694       0.8725786 20.54656       0.8621474 0.1537895      1.351907  
1 1 1 18  1  36 o 11.40417 1.124057  1.320039       0.2534499 1.112793       0.3633556 1.516420       0.3537039 -1.771116      2.248115  
1 1 1 18  1  37 o 35.25835 0.6562925 12.42850       0.4623265 11.84616       0.6371269 13.07617       0.6719161 -1.740952      1.312585  
1 1 1 18  1  38 o 32.55658 0.6664828 10.59622       0.4334893 10.04447       0.5971755 11.21079       0.6302539 -1.787863      1.332966  
1 1 1 18  1  39 o 58.26830 0.9631798 34.02264       1.046391  34.33617       1.855680  33.87647       1.267043  0.2981491      1.926360  
1 1 1 18  1  40 o 19.60175 0.8089950 3.843710       0.3166879 4.079668       0.4630741 3.636393       0.4340612 1.126558       1.617990  
1 1 1 18  1  41 o 18.88401 0.8383522 3.566767       0.3157206 3.207779       0.4338125 3.971040       0.4603621 -2.016777      1.676704  
1 1 1 18  1  42 o 34.90900 0.6959234 12.21320       0.4857379 11.95015       0.6770283 12.49224       0.6972942 -0.7736168     1.391847  
1 1 1 18  1  43 o 7.272746 1.974956  0.3779129      0.4013407 0.1336848      0.6835819 0.5063833      0.4957859 -0.4534421     3.949912  
1 1 1 18  1  44 o 39.91544 0.7111676 15.98293       0.5677252 16.03020       0.8051590 15.93619       0.8006294 0.1170425      1.422335  
1 1 1 18  1  45 f 10.28765 1.993810  0.9810765      0.4207267 0.6171054      0.5182596 1.684564       0.7205137 -4.536880      3.987620  
1 1 1 18  1  46 o 19.01880 0.9286574 3.640087       0.3528882 3.439282       0.4972423 3.843855       0.5008965 -1.062782      1.857315  
1 1 1 18  2  0  o 211.3993 2.213975  447.3878       9.359541  451.3375       13.36044  443.5816       13.11573  1.829575       4.427950  
1 1 1 18  2  1  f 246.2493 2.571655  606.1439       12.64266  627.7336       18.55595  587.4389       17.27188  8.151657       5.143310  
1 1 1 18  2  2  o 183.8999 1.933920  338.5202       7.112900  339.1357       10.08190  337.9103       10.03657  0.3323517      3.867840  
1 1 1 18  2  3  o 88.45950 0.9842834 78.09026       1.738261  75.42881       2.374009  81.16621       2.552195  -3.241272      1.968567  
1 1 1 18  2  4  o 306.0163 3.187936  939.0792       19.51051  934.8190       27.45362  943.4263       27.73254  -1.397552      6.375872  
1 1 1 18  2  5  o 143.8319 1.529166  206.8303       4.395378  202.6034       6.073545  211.4784       6.368981  -3.080551      3.058332  
1 1 1 18  2  6  o 149.0951 1.927437  223.7317       5.470631  226.4889       6.790219  218.6315       9.235103  2.684738       3.854874  
1 1 1 18  2  7  o 153.8663 2.303349  236.6087       7.075062  228.9013       9.659537  245.5291       10.39185  -5.384628      4.606699  
1 1 1 18  2  8  o 216.9609 3.961478  470.1608       16.04543  481.4134       28.48513  464.9310       19.41938  3.390366       7.922957  
1 1 1 18  2  9  o 124.6119 2.318191  156.2648       5.495438  153.2974       9.299327  157.8572       6.812177  -1.899094      4.636382  
1 1 1 18  2  10 o 53.12942 0.6874297 27.83641       0.7242393 25.32417       0.9513767 31.29868       1.116871  -5.621078      1.374859  
1 1 1 18  2  11 f 69.88054 0.8218478 48.84676       1.148622  48.96632       1.625111  48.72741       1.623683  0.1709213      1.643696  
1 1 1 18  2  12 o 88.38191 0.9905726 77.34035       1.737433  72.06406       2.291249  84.47900       2.665118  -7.017555      1.981145  
1 1 1 18  2  13 o 126.8693 1.361002  160.9733       3.451177  164.4954       4.989183  157.7417       4.779000  2.656830       2.722003  
1 1 1 18  2  14 o 33.27362 0.5851239 11.07485       0.3893213 11.17164       0.5472108 10.97563       0.5540193 0.2946243      1.170248  
1 1 1 18  2  15 f 166.7574 1.763479  278.4825       5.879107  274.0890       8.176594  283.1851       8.459236  -2.716385      3.526957  
1 1 1 18  2  16 o 101.8207 1.116718  103.7428       2.273752  102.7044       3.182315  104.8257       3.249891  -1.039894      2.233436  
1 1 1 18  2  17 o 29.78123 0.5918823 8.695008       0.3488366 7.298304       0.4593275 10.59838       0.5362059 -5.539284      1.183765  
1 1 1 18  2  18 o 84.59341 0.9567758 71.60144       1.618429  72.45316       2.316259  70.78895       2.262303  0.9820328      1.913552  
1 1 1 18  2  19 o 74.86458 0.8686249 55.92691       1.297918  58.50574       1.911319  53.72007       1.768101  3.192032       1.737250  
1 1 1 18  2  20 o 41.25636 0.6230645 16.95400       0.5129529 18.20786       0.7565402 15.88712       0.6978577 2.811237       1.246129  
1 1 1 18  2  21 o 62.10902 0.7607185 38.20958       0.9387313 41.99773       1.431352  35.35045       1.243511  5.345139       1.521437  
1 1 1 18  2  22 o 51.63309 0.6790999 26.45805       0.6978608 24.55039       0.9322961 28.88906       1.052438  -4.197727      1.358200  
1 1 1 18  2  23 o 40.65705 0.6161492 16.53791       0.5009930 16.60488       0.7125195 16.47244       0.7045696 0.1626282      1.232298  
1 1 1 18  2  24 o 92.95356 1.036950  86.51945       1.927353  87.58215       2.760163  85.50827       2.692474  1.111847       2.073900  
1 1 1 18  2  25 f 52.92049 0.6971202 28.01719       0.7376406 28.43150       1.058109  27.62545       1.028869  0.7604370      1.394240  
1 1 1 18  2  26 o 40.46499 0.9054676 16.40279       0.7324059 15.78101       1.035484  17.02527       1.036073  -1.537430      1.810935  
1 1 1 18  2  27 f 38.16992 0.8056242 14.35135       0.5972468 13.65133       0.7509699 15.55618       0.9852055 -2.482094      1.611248  
1 1 1 18  2  28 o 52.00502 0.6945544 26.98386       0.7209970 25.71602       0.9827829 28.46152       1.060990  -2.635807      1.389109  
1 1 1 18  2  29 o 63.84189 0.7846850 40.79676       1.001626  41.55401       1.437802  40.08275       1.396141  1.149628       1.569370  
1 1 1 18  2  30 f 35.42167 0.6232700 12.42830       0.4392124 14.19210       0.6599049 11.02560       0.5884916 4.465851       1.246540  
1 1 1 18  2  31 o 18.05662 0.7480358 3.239831       0.2680874 2.721410       0.3633772 3.859044       0.3971333 -3.147713      1.496072  
1 1 1 18  2  32 o 34.39675 0.7853520 12.24548       0.5134618 13.32647       0.6509324 10.46503       0.8353894 4.174271       1.570704  
1 1 1 18  2  33 o 28.55811 0.8906965 8.061847       0.5038588 7.397785       0.6593723 8.993796       0.7811286 -2.782103      1.781393  
1 1 1 18  2  34 o 29.93259 0.6446308 8.950818       0.3854370 9.525013       0.5607164 8.436447       0.5307018 1.815994       1.289262  
1 1 1 18  2  35 o 42.01418 0.6599880 17.60139       0.5533124 16.42742       0.7528807 18.98019       0.8159192 -3.032478      1.319976  
1 1 1 18  2  36 o 37.84510 0.6581706 14.34600       0.4981486 14.28733       0.7006365 14.40598       0.7084045 -0.1560516     1.316341  
1 1 1 18  2  37 o 15.42633 0.9187964 2.394302       0.2742636 1.653390       0.3739840 3.256442       0.4034212 -5.192001      1.837593  
1 1 1 18  2  38 o 26.92530 0.6842651 7.259737       0.3682458 7.635761       0.5276012 6.902554       0.5142132 1.360144       1.368530  
1 1 1 18  2  39 o 35.88828 0.6652812 12.89795       0.4772956 13.44877       0.6848584 12.37776       0.6655515 1.489906       1.330562  
1 1 1 18  2  40 o 22.31224 1.199648  5.282549       0.5059780 3.561648       0.7515306 6.709350       0.6843063 -7.067268      2.399295  
1 1 1 18  2  41 o 7.204978 1.736274  0.4928454      0.3030710 0.2964844      0.4982254 0.6081835      0.3818428 -0.9918838     3.472548  
1 1 1 18  2  42 o 50.04132 1.051365  25.20967       1.051466  24.83907       1.509450  25.55900       1.465516  -0.7285728     2.102731  
1 1 1 18  2  43 o 46.92072 0.7243323 22.08862       0.6797045 22.10765       0.9578642 22.06932       0.9646666 0.4195023E-01  1.448665  
1 1 1 18  2  44 o 35.94831 0.7163818 12.96568       0.5149942 13.03049       0.7238767 12.89926       0.7328295 0.1839714      1.432764  
1 1 1 18  2  45 f 49.60676 0.7472081 24.70317       0.7413313 24.68164       1.048017  24.72474       1.048785  -0.4330063E-01 1.494416  
1 1 1 18  2  46 o 36.71694 0.9615393 13.37297       0.6814573 12.85586       0.8506602 14.29928       1.138531  -1.898258      1.923079  
1 1 1 18  3  0  o 86.04636 0.9690706 73.29136       1.655769  80.34796       2.532631  68.02373       2.188174  7.158356       1.938141  
1 1 1 18  3  1  o 351.3660 3.657456  1238.745       25.69954  1248.354       36.65577  1229.455       36.04128  2.668671       7.314912  
1 1 1 18  3  2  o 102.5731 1.122630  104.7393       2.294310  99.76958       3.086937  110.8726       3.429289  -5.408623      2.245260  
1 1 1 18  3  3  o 286.0196 2.981356  819.9736       17.05268  813.5653       23.90722  826.6111       24.33063  -2.268280      5.962713  
1 1 1 18  3  4  o 119.6268 1.287583  142.2979       3.065217  134.9718       4.096488  151.6178       4.620388  -6.950645      2.575165  
1 1 1 18  3  5  o 229.2243 2.396871  526.3233       10.98817  524.3774       15.47758  528.3006       15.60242  -0.8526154     4.793742  
1 1 1 18  3  6  o 171.2007 1.804470  293.0503       6.172476  286.1574       8.506598  300.7150       8.970243  -4.242493      3.608940  
1 1 1 18  3  7  o 178.0927 1.875252  317.3874       6.676850  322.2998       9.601490  312.7875       9.291141  2.664047       3.750505  
1 1 1 18  3  8  o 159.4496 1.686910  254.2027       5.374559  248.3483       7.412045  260.6938       7.804698  -3.863480      3.373820  
1 1 1 18  3  9  o 125.4741 1.631557  159.2232       3.938328  163.8586       4.974333  151.4367       6.447067  4.979958       3.263113  
1 1 1 18  3  10 o 83.20172 1.314724  69.26416       2.187543  69.85754       3.119464  68.69002       3.068473  0.7006912      2.629449  
1 1 1 18  3  11 o 65.39825 1.362095  39.45302       1.548146  49.70273       3.240731  36.42227       1.762232  10.12277       2.724190  
1 1 1 18  3  12 o 195.0892 2.516470  380.3338       9.209058  385.6512       16.16528  377.7789       11.20507  1.818176       5.032941  
1 1 1 18  3  13 o 129.3902 1.387010  167.3566       3.585434  172.1336       5.218325  163.0847       4.934692  3.489815       2.774020  
1 1 1 18  3  14 o 78.25873 0.8952150 61.21381       1.400143  59.82240       1.935858  62.74011       2.027522  -1.862473      1.790430  
1 1 1 18  3  15 o 57.90328 0.7230476 33.49636       0.8365731 32.59050       1.153554  34.50133       1.215024  -1.649014      1.446095  
1 1 1 18  3  16 o 112.2067 1.218149  125.5859       2.725820  120.4823       3.690358  131.7132       4.043595  -4.993858      2.436298  
1 1 1 18  3  17 o 44.98236 0.6333116 20.13958       0.5682212 21.67454       0.8420007 18.85594       0.7699911 3.131699       1.266623  
1 1 1 18  3  18 o 39.04842 0.6081987 14.97105       0.4704581 13.14092       0.6165239 17.52231       0.7279230 -5.608021      1.216397  
1 1 1 18  3  19 o 79.47816 0.9096477 63.21688       1.445918  63.42984       2.052060  63.00692       2.037688  0.2656097      1.819295  
1 1 1 18  3  20 o 72.32649 0.8464951 52.34254       1.224334  52.93060       1.748020  51.77622       1.715382  0.7969742      1.692990  
1 1 1 18  3  21 o 52.44157 0.6879476 27.50548       0.7213215 27.05828       1.005137  27.98035       1.035758  -0.8782196     1.375895  
1 1 1 18  3  22 f 95.13239 1.057443  90.47332       2.009222  93.58794       2.935143  87.72681       2.756227  3.071793       2.114886  
1 1 1 18  3  23 f 35.02784 0.6001433 12.15652       0.4183806 13.66316       0.6292168 10.96250       0.5601471 3.852966       1.200287  
1 1 1 18  3  24 o 123.9991 1.904745  154.4739       4.720291  157.7330       6.832542  151.4980       6.528811  2.483253       3.809489  
1 1 1 18  3  25 o 95.87425 1.519642  92.07603       2.909042  95.21045       4.263585  89.34589       3.979141  3.034279       3.039284  
1 1 1 18  3  26 f 99.07487 1.098647  98.36288       2.176862  98.94834       3.096918  97.79111       3.060502  0.5815048      2.197295  
1 1 1 18  3  27 o 62.42957 0.7726660 38.80326       0.9612930 41.55323       1.435598  36.56797       1.294302  3.985035       1.545332  
1 1 1 18  3  28 o 13.60976 0.8566183 1.861654       0.2320643 1.937641       0.3172584 1.774212       0.3403320 0.6018353      1.713237  
1 1 1 18  3  29 f 45.78770 0.6610014 20.98529       0.6052940 20.86037       0.8517293 21.11275       0.8603659 -0.2751350     1.322003  
1 1 1 18  3  30 o 34.12003 0.6227458 11.58671       0.4236685 12.86272       0.6252024 10.50319       0.5761185 3.454967       1.245492  
1 1 1 18  3  31 o 33.54794 0.6237245 11.26850       0.4184383 11.38582       0.5890688 11.14902       0.5944907 0.3532639      1.247449  
1 1 1 18  3  32 o 41.05947 0.6470647 16.85139       0.5309134 17.70550       0.7691274 16.07401       0.7337698 1.984329       1.294129  
1 1 1 18  3  33 o 21.46178 0.7006716 4.616436       0.3005490 4.770123       0.4226790 4.459267       0.4274420 0.7245884      1.401343  
1 1 1 18  3  34 o 57.12662 1.039865  32.74621       1.187169  32.45945       1.643847  33.05882       1.716318  -0.5152435     2.079730  
1 1 1 18  3  35 o 27.34945 0.7580212 7.542798       0.4037458 7.285752       0.6436589 7.709545       0.5184174 -0.7873726     1.516042  
1 1 1 18  3  36 o 12.66939 1.107159  1.642594       0.2597093 1.045215       0.3528240 2.349037       0.3836821 -5.267308      2.214319  
1 1 1 18  3  37 o 30.64161 0.6584197 9.396625       0.4032254 9.166478       0.5578375 9.648453       0.5835229 -0.7839985     1.316839  
1 1 1 18  3  38 f 53.18054 0.7338965 28.34611       0.7805318 28.70931       1.111066  27.99221       1.096751  0.6725655      1.467793  
1 1 1 18  3  39 o 13.31161 1.029007  1.785692       0.2729529 1.842117       0.3740749 1.721442       0.3991738 0.4577847      2.058015  
1 1 1 18  3  40 o 34.56680 0.8790514 11.44825       0.5450605 13.23727       1.066347  10.81551       0.6341652 3.436390       1.758103  
1 1 1 18  3  41 o 36.15318 0.8668904 13.00914       0.6134917 12.58937       0.7846896 13.66918       0.9839559 -1.460514      1.733781  
1 1 1 18  3  42 f 16.14513 0.9525213 2.612632       0.3070657 2.421955       0.4225532 2.826000       0.4469895 -1.246614      1.905043  
1 1 1 18  3  43 o 5.399905 1.551706  0.7702577E-01  0.2748319 0.2809251      0.3764112 -0.1557841     0.4022123 1.366051       3.103413  
1 1 1 18  3  44 o 29.57822 0.7296237 8.778907       0.4315982 8.717077       0.6119234 8.840113       0.6088323 -0.2084942     1.459247  
1 1 1 18  3  45 f 31.54979 0.7216710 9.990560       0.4553305 10.15958       0.6447130 9.822354       0.6431589 0.5341511      1.443342  
1 1 1 18  3  46 o 21.41606 0.8487953 4.611942       0.3633410 4.751161       0.5109438 4.469518       0.5167896 0.6587620      1.697591  
1 1 1 18  4  0  o 106.1319 1.153503  112.6736       2.448373  113.2578       3.481180  112.1018       3.444161  0.5442123      2.307006  
1 1 1 18  4  1  o 231.7748 2.422190  538.0118       11.22756  535.3531       15.79096  540.7302       15.96686  -1.155960      4.844379  
1 1 1 18  4  2  o 301.4608 3.140818  911.2132       18.93591  906.7980       26.63747  915.7238       26.92367  -1.471680      6.281637  
1 1 1 18  4  3  o 304.6559 3.175700  930.8011       19.34948  934.3062       27.47518  927.3519       27.25475  1.134277       6.351400  
1 1 1 18  4  4  o 182.8511 1.922835  334.7050       7.031738  335.8006       9.978229  333.6241       9.910872  0.5938110      3.845670  
1 1 1 18  4  5  o 163.5568 1.727595  267.7073       5.650408  265.2070       7.911876  270.3101       8.072305  -1.557037      3.455191  
1 1 1 18  4  6  o 93.76176 1.034758  87.73241       1.936895  91.28818       2.844665  84.65915       2.644627  3.532730       2.069516  
1 1 1 18  4  7  o 139.2910 1.482892  193.8179       4.124993  188.2360       5.652757  200.1760       6.033035  -4.279434      2.965784  
1 1 1 18  4  8  f 133.0020 1.420651  176.9126       3.777120  180.2509       5.445526  173.8174       5.243508  2.415054       2.841302  
1 1 1 18  4  9  o 85.54556 0.9602739 73.20305       1.642902  72.80965       2.313363  73.60336       2.333597  -0.4636536     1.920548  
1 1 1 18  4  10 f 202.4052 2.125709  408.2414       8.565292  432.5627       12.87455  388.9286       11.47261  10.73471       4.251417  
1 1 1 18  4  11 o 201.4627 2.575315  410.0092       9.915641  417.3043       12.38305  396.9731       16.55344  5.213898       5.150631  
1 1 1 18  4  12 o 118.8233 1.803179  140.2819       4.256906  132.2566       5.644769  150.8645       6.482050  -7.804787      3.606357  
1 1 1 18  4  13 f 147.9762 2.220185  219.5454       6.570691  219.5891       9.289845  219.5016       9.294877  0.2978516E-01  4.440371  
1 1 1 18  4  14 o 57.10532 1.238550  33.01565       1.370956  31.04973       2.196152  34.27092       1.754888  -2.832027      2.477101  
1 1 1 18  4  15 o 100.0741 1.100839  100.1836       2.202484  98.67711       3.064931  101.7923       3.167150  -1.553810      2.201678  
1 1 1 18  4  16 o 87.43533 0.9847996 76.43724       1.721033  74.71066       2.382936  78.31989       2.488300  -2.061218      1.969599  
1 1 1 18  4  17 o 82.54668 0.9363679 68.13218       1.544905  69.76684       2.233456  66.63251       2.139240  1.895844       1.872736  
1 1 1 18  4  18 o 50.63302 0.6719201 25.54082       0.6787943 27.20785       1.003370  24.13401       0.9217371 3.033581       1.343840  
1 1 1 18  4  19 o 123.8716 1.335703  153.2299       3.300706  147.3526       4.480032  160.2079       4.881583  -5.170174      2.671406  
1 1 1 18  4  20 o 52.61990 0.6870912 27.70171       0.7230530 27.53266       1.016117  27.87511       1.029110  -0.3250465     1.374182  
1 1 1 18  4  21 o 76.37759 0.8850250 58.38680       1.351798  57.93972       1.896407  58.84864       1.927433  -0.5937881     1.770050  
1 1 1 18  4  22 o 59.05962 1.076056  34.81673       1.268232  36.66401       1.870886  33.24618       1.725075  2.886150       2.152112  
1 1 1 18  4  23 f 34.72992 0.9283668 11.93649       0.6410502 13.72625       0.9668735 10.53261       0.8563236 4.592590       1.856734  
1 1 1 18  4  24 o 43.41688 0.6949429 18.89261       0.5990767 21.91397       0.8598581 16.04254       0.8351280 6.760769       1.389886  
1 1 1 18  4  25 o 76.69945 0.8891737 58.88599       1.363686  59.71266       1.953430  58.10014       1.904583  1.048691       1.778347  
1 1 1 18  4  26 o 108.7960 1.192515  118.6793       2.594817  118.7154       3.671918  118.6432       3.667337  0.3282928E-01  2.385031  
1 1 1 18  4  27 o 48.69843 0.6737811 23.72580       0.6560628 24.19917       0.9413674 23.27876       0.9148275 0.9437485      1.347562  
1 1 1 18  4  28 o 51.78673 0.6952727 26.72968       0.7183034 28.49802       1.063005  25.24375       0.9744332 3.137363       1.390545  
1 1 1 18  4  29 o 43.68311 0.6492886 18.99857       0.5656438 20.53514       0.8391634 17.71909       0.7657499 3.219284       1.298577  
1 1 1 18  4  30 o 23.80774 0.6534777 5.682888       0.3105765 6.054959       0.4378380 5.306076       0.4406180 1.572939       1.306955  
1 1 1 18  4  31 o 41.95868 0.6499949 17.62700       0.5454574 17.58485       0.7713532 17.66915       0.7714334 -0.1004486     1.299990  
1 1 1 18  4  32 o 32.36216 0.6286967 10.48374       0.4065938 11.06621       0.5799518 9.920702       0.5701931 1.769161       1.257393  
1 1 1 18  4  33 o 11.79388 1.149604  1.488793       0.2461077 2.060770       0.3446732 0.8938469      0.3515256 5.088861       2.299208  
1 1 1 18  4  34 o 38.30225 0.6515496 14.68235       0.4988461 15.37877       0.7152541 14.02276       0.6960862 1.768562       1.303099  
1 1 1 18  4  35 o 43.74911 0.8196614 18.61007       0.6649992 17.71235       0.7936218 20.72612       1.218442  -3.397690      1.639323  
1 1 1 18  4  36 o 37.46088 0.8883223 14.10212       0.6643636 14.75181       0.9278073 13.41846       0.9517542 1.782658       1.776645  
1 1 1 18  4  37 o 72.48346 0.8759828 52.70390       1.269861  52.37070       1.789188  53.04211       1.802596  -0.4614258     1.751966  
1 1 1 18  4  38 o 37.17264 0.6645092 13.84402       0.4939937 14.05472       0.7034737 13.63904       0.6938509 0.5580826      1.329018  
1 1 1 18  4  39 o 37.90038 0.9908301 14.36876       0.7481229 15.15007       1.118672  13.73661       1.006246  1.845097       1.981660  
1 1 1 18  4  40 o 15.59625 1.003030  2.384335       0.3089462 2.038826       0.4012118 2.887639       0.4842384 -2.706320      2.006059  
1 1 1 18  4  41 o 13.98431 1.027744  1.953798       0.2864758 1.792778       0.3868812 2.149255       0.4262499 -1.266684      2.055488  
1 1 1 18  4  42 o 35.80541 0.6907592 12.85107       0.4945629 12.52785       0.6924173 13.18769       0.7066346 -0.9194183     1.381518  
1 1 1 18  4  43 o 44.97643 0.7148677 20.29309       0.6430260 20.21419       0.9053641 20.37341       0.9134418 -0.1757317     1.429735  
1 1 1 18  4  44 o 12.02355 1.244237  1.452065       0.2981653 1.298389       0.4063160 1.631381       0.4389061 -1.375463      2.488474  
1 1 1 18  4  45 o 15.43492 1.065868  2.403960       0.3251373 1.942132       0.4498209 2.909234       0.4705031 -3.127346      2.131736  
1 1 1 18  4  46 o 35.27580 0.8989174 12.51000       0.5953971 12.50284       0.7263221 12.52466       1.039573  0.3725815E-01  1.797835  
1 1 1 18  5  0  o 120.5252 1.294684  144.9695       3.114520  150.7366       4.583190  140.0211       4.245375  4.441154       2.589369  
1 1 1 18  5  1  o 202.0449 2.117945  408.6516       8.556922  404.6064       11.96916  412.8804       12.23795  -2.041962      4.235890  
1 1 1 18  5  2  o 188.0154 1.975029  353.6721       7.422722  347.4744       10.29708  360.3764       10.70970  -3.422806      3.950058  
1 1 1 18  5  3  f 89.99016 0.9985586 80.99680       1.797066  80.28305       2.522099  81.73286       2.561222  -0.8051224     1.997117  
1 1 1 18  5  4  o 152.7825 1.618169  233.6109       4.944525  233.2475       6.977968  233.9774       7.007353  -0.2383575     3.236338  
1 1 1 18  5  5  o 57.48437 0.7082792 33.03947       0.8141354 33.54602       1.165756  32.55720       1.137487  0.8598518      1.416558  
1 1 1 18  5  6  o 109.3475 1.187069  119.0949       2.586787  113.7596       3.485638  125.6357       3.859384  -5.425308      2.374138  
1 1 1 18  5  7  o 203.0235 2.129211  412.6981       8.643285  418.2050       12.39657  407.4884       12.05738  2.630463       4.258423  
1 1 1 18  5  8  o 206.4505 2.165131  426.9388       8.939466  424.7473       12.57313  429.1794       12.71265  -1.069443      4.330262  
1 1 1 18  5  9  o 143.4392 1.525453  205.2621       4.364218  214.7726       6.465329  197.3012       5.915174  6.078018       3.050907  
1 1 1 18  5  10 o 94.23959 1.040973  88.85325       1.962002  88.76704       2.768864  88.94019       2.780554  -0.9168243E-01 2.081945  
1 1 1 18  5  11 o 196.2275 2.062117  385.4928       8.087214  377.8082       11.18921  393.8980       11.70212  -4.082458      4.124233  
1 1 1 18  5  12 o 141.8546 1.511230  201.4568       4.287431  202.1103       6.083974  200.8121       6.042920  0.4564972      3.022460  
1 1 1 18  5  13 o 144.7154 1.540953  209.7013       4.459692  208.5516       6.264152  210.8829       6.350652  -0.8027496     3.081907  
1 1 1 18  5  14 o 63.31404 1.049285  40.11392       1.328671  40.37808       1.884453  39.85278       1.873643  0.4145889      2.098570  
1 1 1 18  5  15 o 83.89297 1.322333  68.85703       2.180395  79.04668       3.497784  62.38102       2.788475  9.909302       2.644666  
1 1 1 18  5  16 f 97.66501 1.389363  95.31224       2.660269  96.63863       4.214065  94.43343       3.430160  1.098106       2.778725  
1 1 1 18  5  17 o 42.16817 0.6184893 17.78174       0.5215029 18.28774       0.7446202 17.29461       0.7306122 1.177303       1.236979  
1 1 1 18  5  18 o 84.50902 0.9559054 71.28938       1.612374  68.65806       2.197240  74.35958       2.373418  -3.367607      1.911811  
1 1 1 18  5  19 o 97.00060 1.074531  94.16019       2.083827  92.62225       2.899540  95.80305       2.996818  -1.635674      2.149062  
1 1 1 18  5  20 o 55.64671 1.048459  30.69523       1.160001  28.21841       1.541625  33.92781       1.761190  -5.120041      2.096917  
1 1 1 18  5  21 o 34.86250 0.9218423 12.17228       0.6424866 12.47528       0.9040459 11.86308       0.9132504 0.8783951      1.843685  
1 1 1 18  5  22 o 102.4674 1.129255  105.1772       2.314197  105.6156       3.284642  104.7452       3.261023  0.4234085      2.258511  
1 1 1 18  5  23 f 17.75906 0.6948451 3.139379       0.2461395 2.903089       0.3341459 3.419698       0.3639480 -1.453403      1.389690  
1 1 1 18  5  24 f 19.81788 0.6651755 3.919125       0.2628972 3.792872       0.3563282 4.069950       0.3894630 -0.6978474     1.330351  
1 1 1 18  5  25 f 32.89428 0.6037902 10.81821       0.3968301 10.64054       0.5472879 11.01518       0.5762354 -0.5684013     1.207580  
1 1 1 18  5  26 o 83.40048 0.9521750 69.67898       1.588222  69.50981       2.240362  69.84990       2.251853  -0.2031250     1.904350  
1 1 1 18  5  27 o 90.99191 1.023938  82.96556       1.863361  82.65048       2.624944  83.28563       2.645558  -0.3475342     2.047875  
1 1 1 18  5  28 o 21.12105 0.6800678 4.470326       0.2869499 4.602444       0.4004017 4.330822       0.4114402 0.6436024      1.360136  
1 1 1 18  5  29 o 58.80564 0.7485869 34.42475       0.8771616 36.96294       1.311323  32.36938       1.180027  3.897282       1.497174  
1 1 1 18  5  30 o 41.69822 0.6424361 17.39896       0.5356261 17.07108       0.7470099 17.74590       0.7684233 -0.8078537     1.284872  
1 1 1 18  5  31 f 15.97555 0.8054817 2.543251       0.2565447 2.289350       0.3495798 2.839585       0.3776635 -1.719752      1.610963  
1 1 1 18  5  32 o 21.99529 0.6906852 4.825548       0.3032223 4.497652       0.4138715 5.205505       0.4455172 -1.606695      1.381370  
1 1 1 18  5  33 o 18.90511 0.9350341 3.641057       0.3309487 3.752237       0.4059167 3.420621       0.5715650 0.8951664      1.870068  
1 1 1 18  5  34 o 18.77425 0.7718309 3.533912       0.2886657 3.549232       0.3916853 3.515697       0.4270768 0.9285927E-01  1.543662  
1 1 1 18  5  35 o 18.70414 0.7788955 3.507896       0.2912420 3.560495       0.4078088 3.453144       0.4160723 0.2878456      1.557791  
1 1 1 18  5  36 o 67.33308 0.9051082 45.44537       1.202856  45.22147       1.576607  45.75722       1.860654  -0.3608704     1.810216  
1 1 1 18  5  37 o 49.64817 1.213262  25.06422       1.146837  23.92435       1.922205  25.69423       1.429046  -1.870110      2.426525  
1 1 1 18  5  38 o 50.89069 1.070523  25.95845       1.085727  26.96704       1.616549  25.12960       1.465448  1.778023       2.141046  
1 1 1 18  5  39 f 24.87265 0.7213358 6.183195       0.3582586 5.840143       0.4903933 6.575847       0.5246480 -1.474586      1.442672  
1 1 1 18  5  40 f 36.01978 0.6801605 13.00389       0.4894185 13.85842       0.6982967 12.17883       0.6861477 2.329987       1.360321  
1 1 1 18  5  41 o 8.908872 1.472622  0.8378618      0.2712857 1.147686       0.3744535 0.4955929      0.3935719 3.516432       2.945245  
1 1 1 18  5  42 o 23.12105 0.7915153 5.366121       0.3660039 5.336043       0.5184128 5.396013       0.5168064 -0.1299572     1.583031  
1 1 1 18  5  43 o 25.34178 0.7497063 6.443797       0.3799518 6.343204       0.5343069 6.546700       0.5404112 -0.4004955     1.499413  
1 1 1 18  5  44 o 46.49696 0.7264725 21.69082       0.6754735 21.92833       0.9654399 21.46307       0.9454028 0.4969139      1.452945  
1 1 1 18  5  45 o 10.59392 1.467116  1.174975       0.2987877 1.151658       0.4045865 1.202947       0.4431394 -0.2081871     2.934231  
1 1 1 18  5  46 o 6.829316 2.851057  0.000000       0.000000  ?              ?         0.1157717      0.6492788 ?              ?         
1 1 1 18  6  0  o 210.6005 2.206703  443.7541       9.287596  434.6882       12.83894  453.7062       13.45177  -4.501450      4.413406  
1 1 1 18  6  1  o 22.04344 0.6079859 4.964302       0.2622079 3.968659       0.3832130 5.840795       0.3595529 -4.246614      1.215972  
1 1 1 18  6  2  o 100.2943 1.096615  100.4874       2.197182  97.89380       3.021986  103.3961       3.200240  -2.740974      2.193231  
1 1 1 18  6  3  o 102.8026 1.129124  105.4291       2.315655  109.6990       3.422894  101.8256       3.144458  3.825928       2.258248  
1 1 1 18  6  4  o 150.5284 1.729870  226.4885       5.140246  228.7518       7.953590  224.8652       6.736004  1.267334       3.459740  
1 1 1 18  6  5  o 122.3646 1.314605  149.3164       3.208418  156.2917       4.753236  143.4783       4.348505  5.229553       2.629209  
1 1 1 18  6  6  o 186.1288 1.957090  346.8994       7.285411  347.1249       10.30919  346.6746       10.29708  0.1206818      3.914180  
1 1 1 18  6  7  o 25.77377 0.5348989 6.638634       0.2755720 6.504209       0.3820413 6.784433       0.3978762 -0.5435123     1.069798  
1 1 1 18  6  8  o 162.2115 1.715587  263.0425       5.558617  270.9696       8.110920  256.0221       7.632973  4.595566       3.431174  
1 1 1 18  6  9  o 193.8198 2.037905  376.1833       7.896799  382.1270       11.35444  370.6150       10.98999  2.958191       4.075809  
1 1 1 18  6  10 o 124.4016 1.336107  154.8753       3.324123  155.8156       4.728659  153.9567       4.673860  0.7459564      2.672215  
1 1 1 18  6  11 o 31.32185 0.5711406 9.770349       0.3569186 10.74582       0.5231543 8.920949       0.4881772 2.912750       1.142281  
1 1 1 18  6  12 o 208.1696 2.185513  433.9170       9.088391  422.8497       12.49466  446.3513       13.24389  -5.611938      4.371026  
1 1 1 18  6  13 o 195.5182 2.056355  383.2646       8.040624  385.6301       11.44590  380.9599       11.29786  1.187561       4.112711  
1 1 1 18  6  14 o 69.54833 0.8166463 48.27762       1.134196  50.40964       1.660994  46.41506       1.552488  2.869659       1.633293  
1 1 1 18  6  15 o 90.47188 1.010129  81.62036       1.822932  85.83910       2.699673  78.08475       2.471450  4.279205       2.020259  
1 1 1 18  6  16 o 126.0862 1.653469  159.7710       3.957378  160.6824       4.888226  158.0376       6.741488  1.142357       3.306938  
1 1 1 18  6  17 o 146.6611 3.122280  0.000000       0.000000  ?              ?         216.0857       9.158336  ?              ?         
1 1 1 18  6  18 f 110.8684 2.455381  0.000000       0.000000  ?              ?         123.2890       5.444485  ?              ?         
1 1 1 18  6  19 o 57.00887 1.064953  32.32006       1.208902  30.27521       1.619549  34.89299       1.816674  -4.041401      2.129907  
1 1 1 18  6  20 o 76.65129 0.8865789 58.76175       1.358380  60.28800       1.961745  57.35591       1.882768  1.909477       1.773158  
1 1 1 18  6  21 o 45.94014 0.6487591 20.82793       0.5917234 23.66023       0.9056161 18.71796       0.7816495 5.375252       1.297518  
1 1 1 18  6  22 o 45.56234 0.6460094 20.74746       0.5882630 20.13953       0.8135301 21.41369       0.8516366 -1.397015      1.292019  
1 1 1 18  6  23 o 81.17200 0.9316596 65.82468       1.510020  68.53185       2.213758  63.46917       2.064978  3.111008       1.863319  
1 1 1 18  6  24 o 43.73908 0.6487209 19.04972       0.5660655 20.61177       0.8365666 17.73050       0.7687955 3.291203       1.297442  
1 1 1 18  6  25 o 86.57525 0.9833315 75.07918       1.702527  74.60460       2.391102  75.56718       2.424725  -0.5537872     1.966663  
1 1 1 18  6  26 f 46.28673 0.6652272 21.34845       0.6141787 20.18741       0.8321825 22.73743       0.9102128 -2.750946      1.330454  
1 1 1 18  6  27 f 23.51184 0.6324806 5.523945       0.2970859 5.357346       0.4086094 5.710778       0.4327118 -0.7504864     1.264961  
1 1 1 18  6  28 o 46.38756 0.6623341 21.33591       0.6112680 19.56384       0.8152465 23.61143       0.9238262 -4.356865      1.324668  
1 1 1 18  6  29 o 10.67946 1.078082  1.142722       0.2194683 0.8414394      0.2929546 1.528096       0.3313252 -3.336265      2.156165  
1 1 1 18  6  30 o 28.77597 0.6288708 8.184129       0.3594501 7.076906       0.4799286 9.598765       0.5424773 -4.377920      1.257742  
1 1 1 18  6  31 o 13.33206 0.9659868 1.848369       0.2461087 2.404383       0.3422306 1.252857       0.3541774 4.319801       1.931974  
1 1 1 18  6  32 o 51.22224 0.9564275 26.13922       0.9744690 24.74231       1.299245  27.93555       1.473327  -3.098057      1.912855  
1 1 1 18  6  33 o 33.03099 0.6421041 10.92656       0.4241040 11.20830       0.6013021 10.64767       0.5982568 0.8484039      1.284208  
1 1 1 18  6  34 o 27.89433 0.6685567 7.796452       0.3728240 8.046677       0.5268463 7.545453       0.5276602 0.8985043      1.337113  
1 1 1 18  6  35 o 83.95197 0.9738351 70.59122       1.632624  68.19267       2.235364  73.33348       2.390159  -3.041008      1.947670  
1 1 1 18  6  36 o 33.22453 0.9314503 10.89418       0.5960131 11.74929       1.003058  10.42749       0.7410147 1.953674       1.862901  
1 1 1 18  6  37 f 68.20172 1.042511  46.94289       1.340736  47.36652       1.646349  46.10873       2.310228  1.027512       2.085021  
1 1 1 18  6  38 o 14.50324 1.229030  2.020867       0.3477235 1.675732       0.4372679 2.614548       0.5734953 -3.207400      2.458059  
1 1 1 18  6  39 o 41.24292 0.8009827 16.71223       0.6329231 18.27182       1.081122  15.89898       0.7806909 2.834305       1.601965  
1 1 1 18  6  40 o 39.69612 0.6855918 15.79629       0.5442243 16.17704       0.7727327 15.42154       0.7666026 0.9508133      1.371184  
1 1 1 18  6  41 o 7.167282 1.567440  0.4561967      0.2636178 0.1806384      0.3497790 0.8185312      0.4010900 -3.298401      3.134880  
1 1 1 18  6  42 o 24.63825 0.7534655 6.049058       0.3699597 5.488588       0.5000138 6.727059       0.5499477 -2.504950      1.506931  
1 1 1 18  6  43 o 29.46967 1.132772  8.758139       0.6586872 8.733465       1.017252  8.775954       0.8643606 -0.1104736     2.265545  
1 1 1 18  6  44 o 11.87160 1.296037  1.468346       0.2951726 1.652069       0.4019515 1.253306       0.4348626 1.856134       2.592074  
1 1 1 18  6  45 o 51.61848 0.7568826 26.73848       0.7811731 26.22108       1.089418  27.28605       1.120739  -1.025753      1.513765  
1 1 1 18  6  46 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  7  0  o 157.0687 1.664496  246.5765       5.222921  253.6844       7.606011  240.2343       7.184639  4.274063       3.328992  
1 1 1 18  7  1  o 95.57391 1.055229  90.77857       2.006441  85.93140       2.677537  96.98643       3.030136  -5.779411      2.110458  
1 1 1 18  7  2  o 37.85005 0.9167397 13.95895       0.6849070 11.84242       0.8887137 17.05472       1.074816  -6.883553      1.833479  
1 1 1 18  7  3  o 78.59384 1.295998  61.79842       2.036933  61.46177       2.856707  62.14659       2.905221  -0.4349365     2.591997  
1 1 1 18  7  4  o 67.53860 1.165260  45.03025       1.559983  50.12561       2.410109  41.35632       2.046513  6.486977       2.330521  
1 1 1 18  7  5  o 50.14198 0.6515160 25.03465       0.6513468 26.52111       0.9685779 23.80746       0.8800585 2.705235       1.303032  
1 1 1 18  7  6  o 60.91736 0.7363066 36.80316       0.8921158 40.06063       1.351172  34.28565       1.187836  4.738369       1.472613  
1 1 1 18  7  7  o 100.9203 1.107493  101.1865       2.223129  95.50542       2.962931  108.5047       3.362866  -6.433838      2.214986  
1 1 1 18  7  8  o 82.88954 0.9351583 67.85811       1.535275  62.85482       2.009411  74.87505       2.379658  -7.245308      1.870317  
1 1 1 18  7  9  o 141.9980 1.512077  201.7112       4.291878  205.7641       6.194351  197.9690       5.952154  2.738800       3.024154  
1 1 1 18  7  10 f 52.71317 0.6765764 27.59506       0.7099404 25.85360       0.9495133 29.80282       1.069108  -3.744526      1.353153  
1 1 1 18  7  11 o 98.03736 1.079302  96.16191       2.115943  95.34672       2.963116  97.01015       3.022561  -0.8470917     2.158604  
1 1 1 18  7  12 o 132.5854 1.418786  175.9930       3.761886  174.7415       5.279005  177.2843       5.362190  -0.9563141     2.837572  
1 1 1 18  7  13 f 83.05820 0.9383099 68.87142       1.556137  71.65856       2.281291  66.44603       2.128106  3.134438       1.876620  
1 1 1 18  7  14 o 101.0239 1.109306  102.1199       2.240804  103.6206       3.211431  100.6961       3.128161  1.444939       2.218613  
1 1 1 18  7  15 f 163.4739 2.143631  265.7541       6.500587  275.0674       11.70950  261.6050       7.815585  3.868454       4.287261  
1 1 1 18  7  16 o 110.5198 1.723692  122.1772       3.802601  127.2241       5.592600  117.8378       5.185791  4.223206       3.447385  
1 1 1 18  7  17 o 55.99537 0.9034031 31.12684       0.9233793 30.76801       1.097199  31.99795       1.709537  -1.079464      1.806806  
1 1 1 18  7  18 o 57.71148 0.8608787 33.76181       0.9645417 35.27252       1.240193  31.44918       1.534447  3.322311       1.721757  
1 1 1 18  7  19 o 28.45693 1.487004  8.109173       0.8463114 8.109173       0.8463114 ?              ?         ?              ?         
1 1 1 18  7  20 o 69.64442 1.001717  47.50549       1.299587  51.46118       2.347629  45.75768       1.560504  4.058723       2.003434  
1 1 1 18  7  21 o 90.99538 1.021308  82.87292       1.857851  84.49075       2.676399  81.36839       2.580993  1.710861       2.042617  
1 1 1 18  7  22 o 48.33244 0.6643259 23.37725       0.6421272 23.60677       0.9061967 23.14578       0.9100255 0.4770279      1.328652  
1 1 1 18  7  23 o 57.44997 0.7331302 32.88971       0.8400938 31.16324       1.138081  34.95677       1.245288  -3.297237      1.466260  
1 1 1 18  7  24 f 99.63625 1.106580  99.02945       2.197316  104.6768       3.277979  94.42122       2.961076  5.125206       2.213161  
1 1 1 18  7  25 o 75.64604 0.8868966 57.25724       1.340892  55.91251       1.855222  58.72805       1.940250  -1.855766      1.773793  
1 1 1 18  7  26 o 92.48154 1.040363  85.67580       1.923674  87.09747       2.763029  84.33843       2.679850  1.485588       2.080726  
1 1 1 18  7  27 o 58.12534 0.7458032 33.81134       0.8666726 33.27209       1.205824  34.38758       1.246509  -0.9571571     1.491606  
1 1 1 18  7  28 o 14.04327 0.8502921 1.976217       0.2385548 1.989852       0.3303427 1.961358       0.3448601 0.1025057      1.700584  
1 1 1 18  7  29 o 27.61270 0.6241261 7.577447       0.3433225 6.771360       0.4647976 8.545331       0.5093127 -3.209602      1.248252  
1 1 1 18  7  30 o 50.02147 0.6917696 25.02049       0.6914784 24.19651       0.9541211 25.93204       1.003546  -1.731224      1.383539  
1 1 1 18  7  31 o 30.20314 0.6407942 9.093559       0.3862006 8.376972       0.5272015 9.923431       0.5673456 -2.557293      1.281588  
1 1 1 18  7  32 o 34.36584 0.6339149 11.68136       0.4330116 10.29560       0.5773965 13.46238       0.6545826 -4.601654      1.267830  
1 1 1 18  7  33 o 36.88411 0.6403848 13.60730       0.4720256 13.20485       0.6518471 14.05100       0.6844345 -1.144360      1.280770  
1 1 1 18  7  34 o 22.82865 0.8283623 5.269934       0.3658570 5.043243       0.5917379 5.410215       0.4654897 -0.8177662     1.656725  
1 1 1 18  7  35 o 43.46140 1.030887  18.95075       0.8949389 19.32645       1.303938  18.61617       1.230520  0.8063889      2.061775  
1 1 1 18  7  36 o 22.64811 0.7192950 5.133822       0.3252511 5.034594       0.4452663 5.247337       0.4762438 -0.4663944     1.438590  
1 1 1 18  7  37 o 24.88530 0.6972083 6.200230       0.3467445 6.047796       0.4792310 6.367708       0.5023254 -0.6401367     1.394417  
1 1 1 18  7  38 o 37.86483 0.6716728 14.36573       0.5085145 14.21204       0.7093877 14.52817       0.7293228 -0.4151001     1.343346  
1 1 1 18  7  39 o 27.13889 0.8756882 7.405890       0.4662860 7.457409       0.6046851 7.330318       0.7323625 0.2540302      1.751376  
1 1 1 18  7  40 o 25.42108 0.7957630 6.524014       0.4019929 6.009935       0.5871923 6.977485       0.5514930 -1.908539      1.591526  
1 1 1 18  7  41 o 30.59373 0.6976096 9.392797       0.4263298 9.542169       0.5913393 9.231121       0.6152117 0.5117435      1.395219  
1 1 1 18  7  42 o 25.89365 0.7272493 6.694700       0.3757129 6.188692       0.5114152 7.288030       0.5537873 -2.115938      1.454499  
1 1 1 18  7  43 o 14.50356 1.040971  2.101152       0.3005880 1.858575       0.4061873 2.394815       0.4469169 -1.838990      2.081942  
1 1 1 18  7  44 o 35.75561 0.7081205 12.83034       0.5063298 12.85073       0.7111101 12.80938       0.7211118 0.5960464E-01  1.416241  
1 1 1 18  7  45 o 21.32473 0.9568946 4.660751       0.3892343 4.881125       0.4892050 4.280564       0.6425542 1.443317       1.913789  
1 1 1 18  8  0  o 149.4738 2.258751  223.1584       6.736998  232.7122       9.940313  215.0417       9.162282  5.890991       4.517503  
1 1 1 18  8  1  o 139.5647 2.119535  194.9648       5.913684  198.4795       8.515436  191.6907       8.218870  2.424866       4.239071  
1 1 1 18  8  2  o 75.02201 1.259599  56.30345       1.889738  56.94333       2.697430  55.68670       2.648236  0.8367615      2.519197  
1 1 1 18  8  3  o 84.51131 1.377851  71.37556       2.326399  69.55356       3.202378  73.41166       3.385287  -2.279449      2.755702  
1 1 1 18  8  4  o 56.70777 1.066196  32.10485       1.207667  30.91169       1.657112  33.45637       1.763659  -2.242168      2.132392  
1 1 1 18  8  5  o 105.4550 1.650913  109.9607       3.447871  102.1897       4.512351  120.8629       5.344693  -8.833984      3.301826  
1 1 1 18  8  6  o 125.7438 1.927614  158.3695       4.847711  158.4338       6.855537  158.3053       6.855861  0.5113220E-01  3.855229  
1 1 1 18  8  7  o 167.6835 2.521377  281.3228       8.439092  272.1107       11.50876  292.0372       12.41168  -5.905350      5.042754  
1 1 1 18  8  8  o 69.95488 1.208669  48.69928       1.684400  46.08565       2.263458  51.94305       2.521598  -4.181358      2.417338  
1 1 1 18  8  9  o 57.27769 1.070746  32.82621       1.226573  33.11443       1.737999  32.54019       1.731294  0.5011520      2.141492  
1 1 1 18  8  10 o 53.12145 0.6793261 28.22744       0.7216118 28.28274       1.011709  28.17018       1.029551  0.1061859      1.358652  
1 1 1 18  8  11 o 43.53127 0.6080394 18.94354       0.5292165 19.55950       0.7581835 18.35830       0.7390343 1.379429       1.216079  
1 1 1 18  8  12 o 58.66813 0.7943782 33.58660       0.9008098 37.65917       1.513815  31.35395       1.120854  5.366131       1.588756  
1 1 1 18  8  13 o 70.12083 1.206478  49.21935       1.691856  48.90081       2.375266  49.54737       2.410413  -0.4598999     2.412955  
1 1 1 18  8  14 o 136.4400 2.083601  186.6604       5.681066  191.3117       8.237324  182.4410       7.845473  3.226074       4.167202  
1 1 1 18  8  15 o 14.03694 1.281304  2.214035       0.2336629 2.300580       0.2535143 1.725445       0.6023557 2.256503       2.562607  
1 1 1 18  8  16 o 61.89713 0.7535999 38.19827       0.9305666 36.52992       1.262772  40.18101       1.376627  -2.946373      1.507200  
1 1 1 18  8  17 o 56.16074 0.7091909 31.40038       0.7939155 29.73194       1.070745  33.43764       1.183190  -3.296120      1.418382  
1 1 1 18  8  18 o 71.72279 0.8408626 51.48487       1.206160  51.81830       1.711702  51.15603       1.699894  0.4612503      1.681725  
1 1 1 18  8  19 o 27.09719 0.5797912 7.333228       0.3130068 8.267307       0.4528351 6.478639       0.4331386 3.299948       1.159582  
1 1 1 18  8  20 o 92.12694 2.107004  85.13222       3.882237  85.13222       3.882237  ?              ?         ?              ?         
1 1 1 18  8  21 o 36.98859 0.7637138 13.67348       0.5644509 14.51717       0.8144135 12.89358       0.7830200 2.193462       1.527428  
1 1 1 18  8  22 o 56.20531 0.8489017 31.91110       0.9288400 30.32807       1.475669  32.94981       1.195339  -2.345150      1.697803  
1 1 1 18  8  23 o 38.85850 0.6235393 15.04504       0.4833940 16.57838       0.7083873 13.70883       0.6612853 3.690586       1.247079  
1 1 1 18  8  24 o 62.28848 0.7706031 38.58045       0.9555390 36.27529       1.278555  41.49703       1.438153  -4.183331      1.541206  
1 1 1 18  8  25 o 94.55466 1.059058  89.59083       2.002555  90.49121       2.858006  88.72243       2.806770  0.9315186      2.118115  
1 1 1 18  8  26 o 19.42378 0.6816323 3.694583       0.2618612 3.200109       0.3414497 4.400729       0.4080395 -3.087177      1.363265  
1 1 1 18  8  27 o 42.23660 0.6511023 17.85537       0.5498765 18.39973       0.7818626 17.32260       0.7734905 1.274658       1.302205  
1 1 1 18  8  28 o 59.37025 0.7626651 35.07464       0.9021894 37.92764       1.349356  32.76818       1.213247  4.335758       1.525330  
1 1 1 18  8  29 o 69.56996 1.017447  48.30376       1.340615  47.80432       1.645462  49.28984       2.312066  -0.9994583     2.034893  
1 1 1 18  8  30 o 44.83938 0.6701484 20.02060       0.5991209 21.59597       0.8910800 18.72089       0.8093712 3.200169       1.340297  
1 1 1 18  8  31 o 40.77368 0.6488262 16.63073       0.5288231 16.10570       0.7336971 17.19838       0.7628947 -1.337761      1.297652  
1 1 1 18  8  32 o 33.40673 0.6402251 11.13200       0.4268083 12.18926       0.6247752 10.20685       0.5844381 2.963884       1.280450  
1 1 1 18  8  33 f 39.20669 1.011719  15.44010       0.7927361 15.13675       1.136135  15.72792       1.106643  -0.7578888     2.023438  
1 1 1 18  8  34 o 19.71419 1.003552  3.938681       0.3475652 3.980155       0.4055092 3.823864       0.6747046 0.4322147      2.007104  
1 1 1 18  8  35 o 44.92882 0.6833528 20.20946       0.6137874 20.76767       0.8837628 19.68931       0.8531017 1.197021       1.366706  
1 1 1 18  8  36 o 27.26443 0.6784824 7.459111       0.3693967 7.718483       0.5143953 7.182929       0.5308027 0.9838524      1.356965  
1 1 1 18  8  37 o 12.07258 1.231804  1.612579       0.2630105 2.336301       0.3649540 0.8305486      0.3793708 6.371563       2.463608  
1 1 1 18  8  38 o 31.71380 0.6683169 10.07143       0.4236695 9.825889       0.5874894 10.33751       0.6115531 -0.8037815     1.336634  
1 1 1 18  8  39 o 14.93914 0.9547855 2.310947       0.2765870 2.738940       0.3740950 1.794897       0.4107800 3.165926       1.909571  
1 1 1 18  8  40 o 16.10061 1.054276  2.504792       0.3228177 2.296421       0.3924171 2.941004       0.5677775 -1.964936      2.108553  
1 1 1 18  8  41 o 23.94567 0.8507957 5.730914       0.4063871 6.309870       0.5980390 5.234215       0.5539287 2.237867       1.701591  
1 1 1 18  8  42 f 34.88984 0.6998811 12.09965       0.4861488 10.95045       0.6519929 13.53858       0.7295650 -3.697021      1.399762  
1 1 1 18  8  43 o 41.03384 0.7071510 16.89547       0.5802779 17.03042       0.8166880 16.75788       0.8246437 0.3334198      1.414302  
1 1 1 18  8  44 o 44.26086 0.9709477 19.71902       0.7761511 19.72518       1.451963  19.71656       0.9183753 -0.1166916     1.941895  
1 1 1 18  8  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  9  0  o 42.49548 0.9753029 17.63253       0.8189445 21.43934       1.277790  14.97878       1.066864  7.598927       1.950606  
1 1 1 18  9  1  o 207.4785 3.092654  431.9224       12.83203  435.3684       18.29533  428.5857       18.00268  1.622940       6.185308  
1 1 1 18  9  2  f 74.94113 1.271802  55.02251       1.880176  63.32996       2.973687  49.48957       2.426826  9.224724       2.543604  
1 1 1 18  9  3  o 268.3469 3.983347  724.7084       21.37705  720.4672       30.03280  729.0640       30.43462  -1.578705      7.966695  
1 1 1 18  9  4  o 134.7734 2.056562  181.2063       5.524093  173.3898       7.448754  190.7595       8.234738  -6.419357      4.113123  
1 1 1 18  9  5  o 38.69856 0.9650650 14.92427       0.7454093 14.05891       1.015664  15.93454       1.097412  -2.422127      1.930130  
1 1 1 18  9  6  o 178.8619 2.682496  320.1863       9.575779  309.4366       13.04590  332.7430       14.09981  -6.468811      5.364992  
1 1 1 18  9  7  f 32.61569 0.9777723 10.61621       0.6367534 10.20283       0.8704045 11.09216       0.9339617 -1.362270      1.955545  
1 1 1 18  9  8  o 32.48597 0.9634790 10.51973       0.6248028 9.894663       0.8527121 11.24437       0.9181181 -2.076157      1.926958  
1 1 1 18  9  9  o 178.5855 2.682762  319.7376       9.567282  310.5404       13.10237  330.2425       14.00284  -5.464508      5.365525  
1 1 1 18  9  10 o 56.52323 1.073947  31.95120       1.213472  31.32028       1.684593  32.63165       1.749461  -1.158436      2.147894  
1 1 1 18  9  11 o 93.75279 1.502957  87.42553       2.803028  82.52199       3.737942  93.72568       4.236947  -5.956604      3.005914  
1 1 1 18  9  12 o 103.2899 1.396455  107.8058       2.743151  110.0337       3.408755  103.7114       4.620965  3.106285       2.792910  
1 1 1 18  9  13 o 28.81553 0.5401342 8.126633       0.3074294 10.15389       0.4728819 6.642547       0.4046014 6.091673       1.080268  
1 1 1 18  9  14 o 115.4694 1.251691  132.9882       2.881260  139.9594       4.287509  127.2475       3.890756  5.487991       2.503382  
1 1 1 18  9  15 o 65.32475 0.7827224 42.52453       1.019651  40.54183       1.379584  44.91161       1.513743  -3.341038      1.565445  
1 1 1 18  9  16 f 73.33313 0.8546994 53.70535       1.251793  55.93234       1.830537  51.74913       1.715648  2.848404       1.709399  
1 1 1 18  9  17 o 47.53746 0.6465082 22.57045       0.6141322 23.71484       0.8901832 21.53108       0.8483543 2.295704       1.293016  
1 1 1 18  9  18 o 58.49365 0.7289534 34.18729       0.8518863 33.17890       1.172501  35.31479       1.239814  -1.823509      1.457907  
1 1 1 18  9  19 o 108.9235 1.190771  118.8725       2.594058  118.9641       3.668093  118.7808       3.669010  0.8420563E-01  2.381543  
1 1 1 18  9  20 f 53.13316 0.6964556 28.00609       0.7365978 30.88267       1.109280  25.73729       0.9851464 4.837490       1.392911  
1 1 1 18  9  21 o 63.94772 0.7805169 40.88574       0.9974089 39.87823       1.376857  41.99827       1.446842  -1.654663      1.561034  
1 1 1 18  9  22 o 46.94302 0.8064311 22.15904       0.7521742 23.08241       1.020383  21.06018       1.113128  2.158203       1.612862  
1 1 1 18  9  23 o 49.49644 0.8893418 24.37687       0.8762706 22.99938       1.172507  26.11962       1.318825  -3.143513      1.778684  
1 1 1 18  9  24 o 42.99215 0.7326556 18.64002       0.6173055 17.78205       0.9632175 19.23803       0.8041579 -1.701435      1.465311  
1 1 1 18  9  25 o 75.63805 0.8876630 57.24504       1.341911  58.84874       1.941903  55.77934       1.856477  2.023499       1.775326  
1 1 1 18  9  26 f 61.10560 0.7709141 37.32658       0.9409505 36.19568       1.291930  38.60421       1.373194  -1.965672      1.541828  
1 1 1 18  9  27 f 42.51684 0.6577479 17.85476       0.5555413 20.48712       0.8453448 15.85364       0.7370500 5.442741       1.315496  
1 1 1 18  9  28 o 33.93810 0.7108364 11.57944       0.4782080 11.16883       0.7189614 11.90522       0.6404105 -1.090370      1.421673  
1 1 1 18  9  29 o 26.76056 0.6540763 7.016936       0.3461251 6.135991       0.4505685 8.285297       0.5406394 -4.009630      1.308153  
1 1 1 18  9  30 o 22.83530 0.6667591 5.219448       0.3033958 5.194896       0.4113480 5.248739       0.4492912 -0.1150913     1.333518  
1 1 1 18  9  31 o 25.10859 0.9808687 6.388280       0.4221825 6.201659       0.8504512 6.449311       0.4863398 -0.5342846     1.961737  
1 1 1 18  9  32 o 8.760958 1.609333  0.8855534      0.3038188 1.144064       0.3592392 0.2361916      0.5693611 3.814793       3.218665  
1 1 1 18  9  33 o 44.39585 0.6783900 19.70471       0.6017426 20.78538       0.8740249 18.73090       0.8296899 2.309727       1.356780  
1 1 1 18  9  34 o 51.01129 0.7113808 25.96815       0.7239709 27.58112       1.070989  24.61091       0.9824327 2.902306       1.422762  
1 1 1 18  9  35 o 39.21027 0.6659123 15.40142       0.5221680 15.29449       0.7327889 15.51171       0.7442588 -0.2758675     1.331825  
1 1 1 18  9  36 o 42.97630 0.6837001 18.50934       0.5876495 18.64270       0.8333623 18.37744       0.8287804 0.3081017      1.367400  
1 1 1 18  9  37 o 46.13700 0.6968538 21.25297       0.6416438 20.02684       0.8734652 22.69020       0.9456729 -2.877495      1.393708  
1 1 1 18  9  38 o 5.639756 1.507517  0.2330925      0.2330525 0.2929488      0.3004941 0.1427447      0.3691811 0.3159938      3.015035  
1 1 1 18  9  39 o 40.86431 0.6853065 16.70397       0.5594230 15.94333       0.7687659 17.56011       0.8155966 -1.972004      1.370613  
1 1 1 18  9  40 o 33.58364 0.6841668 11.30728       0.4594621 11.22393       0.6430891 11.39420       0.6566790 -0.2516174     1.368334  
1 1 1 18  9  41 o 50.32664 0.8852931 25.11732       0.8446914 24.42849       1.033914  26.49992       1.464799  -1.973625      1.770586  
1 1 1 18  9  42 o 36.59164 0.8114050 13.35871       0.5898908 14.17653       0.8968377 12.73511       0.7831374 1.948669       1.622810  
1 1 1 18  9  43 o 20.90905 1.419601  4.696815       0.5346624 3.783452       0.9424047 5.130341       0.6492680 -3.318758      2.839202  
1 1 1 18  9  44 o 18.45316 0.9327387 3.460139       0.3393719 3.673395       0.4525980 3.186234       0.5129331 1.333603       1.865477  
1 1 1 18  10 0  o 44.21416 0.9890301 19.55946       0.8743947 20.03023       1.236700  19.08887       1.236461  1.064537       1.978060  
1 1 1 18  10 1  o 177.6643 2.667248  315.4752       9.449091  302.9383       12.78398  330.5721       14.02864  -7.726929      5.334496  
1 1 1 18  10 2  o 138.4257 2.110626  191.9885       5.843186  192.8110       8.294474  191.1782       8.232896  0.5877533      4.221251  
1 1 1 18  10 3  o 42.27364 0.9894717 17.43367       0.8249688 15.26495       1.064256  20.69861       1.305815  -6.422939      1.978943  
1 1 1 18  10 4  o 178.0458 2.678617  317.0714       9.514336  304.9035       12.91607  331.5071       14.06825  -7.420029      5.357234  
1 1 1 18  10 5  o 146.4836 2.226078  214.4832       6.506293  206.6816       8.844217  223.6856       9.605421  -5.774506      4.452156  
1 1 1 18  10 6  o 126.9947 1.957410  161.4966       4.968988  164.9294       7.169536  158.3235       6.893039  2.590553       3.914821  
1 1 1 18  10 7  o 158.6184 2.398294  252.4022       7.607045  255.2632       10.87656  249.6626       10.64320  1.753723       4.796588  
1 1 1 18  10 8  o 76.93833 1.295598  58.82829       1.983368  55.26750       2.646842  63.38791       2.995153  -5.267105      2.591196  
1 1 1 18  10 9  o 85.08554 1.395294  72.35977       2.371421  75.01368       3.460599  70.01022       3.256124  2.933456       2.790588  
1 1 1 18  10 10 o 147.6398 2.243623  217.6748       6.597190  207.4615       8.856926  230.4035       9.887607  -7.709488      4.487246  
1 1 1 18  10 11 o 79.59283 1.327090  63.40622       2.111608  62.32443       2.934328  64.56815       3.041061  -1.405411      2.654180  
1 1 1 18  10 12 o 44.37856 0.9984043 19.11441       0.8719146 16.36203       1.118675  23.37431       1.391712  -7.891857      1.996809  
1 1 1 18  10 13 o 150.7218 2.290605  228.2935       6.904713  229.2997       9.806444  227.3042       9.723559  0.6556396      4.581210  
1 1 1 18  10 14 o 118.2459 1.282175  139.7475       3.026918  135.2638       4.136117  144.9180       4.441610  -4.068504      2.564349  
1 1 1 18  10 15 o 88.42678 0.9915475 78.25481       1.753190  79.37815       2.512050  77.18806       2.447961  1.235840       1.983095  
1 1 1 18  10 16 o 65.35301 0.7852675 42.65751       1.024961  41.20709       1.405093  44.30703       1.498434  -2.368454      1.570535  
1 1 1 18  10 17 f 21.91319 0.5477978 4.796880       0.2394150 4.715913       0.3254480 4.892380       0.3534508 -0.4019470     1.095596  
1 1 1 18  10 18 o 69.02444 0.8200951 47.65797       1.131508  46.85028       1.569432  48.53225       1.632837  -1.215866      1.640190  
1 1 1 18  10 19 o 26.70059 0.5621405 7.105114       0.2994925 6.743854       0.4069253 7.532081       0.4423862 -1.475014      1.124281  
1 1 1 18  10 20 o 45.35245 0.6407145 20.55822       0.5808306 21.41802       0.8375040 19.76145       0.8062257 1.825249       1.281429  
1 1 1 18  10 21 o 18.98643 0.6198485 3.632140       0.2337435 3.957521       0.3226731 3.272866       0.3390620 1.803589       1.239697  
1 1 1 18  10 22 o 53.77560 0.7031885 28.93181       0.7560171 28.50959       1.052429  29.38199       1.086735  -0.8096046     1.406377  
1 1 1 18  10 23 o 45.56173 0.6548440 20.77680       0.5966536 20.80502       0.8380373 20.74780       0.8496743 0.6333160E-01  1.309688  
1 1 1 18  10 24 o 62.49237 1.044116  39.13280       1.304880  39.69484       1.859240  38.58722       1.831824  0.8841591      2.088231  
1 1 1 18  10 25 o 44.66433 0.8417311 19.97771       0.7515936 19.86405       1.046563  20.09875       1.080055  -0.2604713     1.683462  
1 1 1 18  10 26 o 83.67081 1.325422  70.03912       2.211983  73.85542       3.278035  66.84865       2.997226  4.154991       2.650844  
1 1 1 18  10 27 o 59.94825 0.7669392 35.98550       0.9193989 36.56960       1.313974  35.42523       1.286901  0.9524765      1.533878  
1 1 1 18  10 28 o 59.92445 0.7684998 35.96897       0.9209993 36.39545       1.308971  35.55083       1.296104  0.7037086      1.537000  
1 1 1 18  10 29 o 28.27170 0.9186482 7.886765       0.4505734 8.269403       0.9090044 7.762129       0.5187910 0.8593044      1.837296  
1 1 1 18  10 30 o 19.63066 1.423191  3.880745       0.5577672 3.899959       0.7673337 3.859219       0.8121790 0.1112614      2.846382  
1 1 1 18  10 31 o 45.29873 0.6755947 20.46339       0.6106622 19.19521       0.8302537 21.95800       0.9013321 -3.043427      1.351189  
1 1 1 18  10 32 o 31.41128 0.6372434 9.882160       0.4002357 10.17042       0.5678919 9.597675       0.5641642 0.9113617      1.274487  
1 1 1 18  10 33 o 44.93591 0.6797724 20.22865       0.6109035 20.16739       0.8599284 20.29108       0.8680245 -0.1368561     1.359545  
1 1 1 18  10 34 o 45.78622 0.6892012 20.99096       0.6308897 20.47784       0.8779470 21.53883       0.9071974 -1.155689      1.378402  
1 1 1 18  10 35 o 39.82773 0.6654115 15.89493       0.5299856 16.00461       0.7459934 15.78314       0.7530824 0.2787704      1.330823  
1 1 1 18  10 36 o 11.54846 1.080328  1.318596       0.2472664 1.118259       0.3273766 1.584671       0.3772849 -2.009977      2.160655  
1 1 1 18  10 37 o 42.72583 0.6837360 18.25577       0.5835432 17.44613       0.8014209 19.16944       0.8513497 -2.010674      1.367472  
1 1 1 18  10 38 o 13.47957 1.035030  1.823923       0.2769830 1.800275       0.3688783 1.854492       0.4193917 -0.1913519     2.070060  
1 1 1 18  10 39 o 47.46292 0.7188113 22.55341       0.6817256 21.60748       0.9405586 23.60037       0.9895146 -2.092411      1.437623  
1 1 1 18  10 40 o 40.12690 0.6956398 16.09508       0.5573111 15.14851       0.7619832 17.18387       0.8172275 -2.527706      1.391280  
1 1 1 18  10 41 o 36.77866 0.6932040 13.52741       0.5090423 12.89203       0.6956221 14.25991       0.7468988 -1.851757      1.386408  
1 1 1 18  10 42 o 32.50562 1.751374  10.67449       1.138590  10.67449       1.138590  ?              ?         ?              ?         
1 1 1 18  10 43 o 23.90712 0.8688152 5.747015       0.4153421 5.822433       0.5845107 5.670097       0.5902968 0.3198566      1.737630  
1 1 1 18  10 44 o 40.65785 1.359165  0.000000       0.000000  ?              ?         16.63966       1.105214  ?              ?         
1 1 1 18  11 0  o 231.2507 3.444257  536.9133       15.91052  523.2404       21.86832  552.2912       23.19169  -6.207626      6.888513  
1 1 1 18  11 1  o 187.1524 2.806024  351.5052       10.50197  348.7664       14.72460  354.3409       14.98283  -1.477325      5.612048  
1 1 1 18  11 2  o 151.0591 2.291962  227.8875       6.902109  218.4648       9.323197  239.3147       10.26703  -6.864105      4.583923  
1 1 1 18  11 3  o 178.6426 2.684975  320.2435       9.591224  324.1031       13.72506  316.5599       13.40855  2.095718       5.369949  
1 1 1 18  11 4  o 94.79039 1.524189  89.38961       2.875198  84.52390       3.841882  95.58425       4.334899  -5.819252      3.048378  
1 1 1 18  11 5  o 131.9609 2.025254  174.5669       5.345087  174.6890       7.559443  174.4449       7.558743  0.9246826E-01  4.050508  
1 1 1 18  11 6  o 163.3055 2.468124  267.5012       8.055719  273.4038       11.65236  262.0972       11.14930  3.433868       4.936248  
1 1 1 18  11 7  o 78.89233 1.326465  62.26714       2.091672  61.07108       2.897738  63.56828       3.022338  -1.578743      2.652931  
1 1 1 18  11 8  o 237.0808 3.542101  566.7165       16.78378  578.7758       24.27877  555.6787       23.22779  4.776047       7.084202  
1 1 1 18  11 9  o 125.7898 1.943259  158.0618       4.873260  151.1378       6.582729  166.4584       7.249011  -6.053444      3.886518  
1 1 1 18  11 10 o 89.31462 1.451380  79.91740       2.592584  79.90307       3.662861  79.93177       3.670085  -0.1573944E-01 2.902760  
1 1 1 18  11 11 f 19.90571 1.314436  4.102945       0.4923669 5.781743       0.7039445 2.495034       0.6889223 8.255082       2.628873  
1 1 1 18  11 12 o 101.7601 1.616192  103.7418       3.287645  105.9468       4.740906  101.6992       4.563057  2.077309       3.232384  
1 1 1 18  11 13 o 49.05180 1.023008  23.69408       0.9943143 21.27330       1.302491  27.07532       1.539346  -5.905289      2.046016  
1 1 1 18  11 14 o 81.66525 1.359275  66.74535       2.218009  68.88164       3.223289  64.82405       3.056806  2.474846       2.718549  
1 1 1 18  11 15 o 78.29556 1.322453  61.17992       2.064796  58.24955       2.793196  64.71054       3.065953  -4.109909      2.644907  
1 1 1 18  11 16 f 71.00704 0.8344344 50.15414       1.179615  47.39633       1.579527  53.63196       1.773772  -4.383362      1.668869  
1 1 1 18  11 17 f 58.17460 0.7304348 33.57475       0.8453547 36.71591       1.278535  31.13489       1.126811  4.791348       1.460870  
1 1 1 18  11 18 o 56.43137 0.7156658 31.53878       0.8019856 29.25495       1.060078  34.59533       1.226365  -4.725510      1.431332  
1 1 1 18  11 19 o 51.25880 0.6788418 26.28853       0.6957803 26.07808       0.9723004 26.50941       0.9960951 -0.4198532     1.357684  
1 1 1 18  11 20 o 78.86163 0.9112637 61.82025       1.429384  58.19732       1.904577  66.49254       2.162881  -5.245789      1.822527  
1 1 1 18  11 21 o 63.12682 0.7762546 39.87365       0.9797530 40.70225       1.406940  39.09354       1.365164  1.272102       1.552509  
1 1 1 18  11 22 o 51.01649 0.6900795 25.85787       0.7011738 28.22627       1.051873  23.96388       0.9406427 4.172062       1.380159  
1 1 1 18  11 23 o 32.34685 0.5917634 10.47398       0.3827079 10.70666       0.5388367 10.23712       0.5436569 0.7259903      1.183527  
1 1 1 18  11 24 o 17.12814 0.7128097 2.989090       0.2394697 3.297538       0.3201714 2.597448       0.3607752 2.045971       1.425619  
1 1 1 18  11 25 o 38.53231 0.6709188 14.78743       0.5096397 14.42945       0.6630562 15.30424       0.7966819 -1.127472      1.341838  
1 1 1 18  11 26 o 28.24817 0.7245639 7.973197       0.4083446 7.755622       0.5552607 8.229463       0.6026141 -0.8354683     1.449128  
1 1 1 18  11 27 o 49.07157 1.273089  0.000000       0.000000  ?              ?         24.13742       1.249449  ?              ?         
1 1 1 18  11 28 o 64.97176 1.219875  42.39655       1.584990  41.87457       2.222388  42.93689       2.261142  -0.8124466     2.439749  
1 1 1 18  11 29 o 53.26362 0.7237352 28.29501       0.7687355 26.87487       1.039923  30.00605       1.141471  -2.930809      1.447470  
1 1 1 18  11 30 o 7.043762 1.380088  0.4500553      0.2138527 0.1953956      0.2764089 0.8298003      0.3375342 -3.724343      2.760177  
1 1 1 18  11 31 o 9.952564 1.199593  0.9756479      0.2278242 0.6927142      0.2953699 1.391198       0.3579610 -3.633256      2.399186  
1 1 1 18  11 32 o 63.49761 0.8000059 40.29421       1.014041  38.45042       1.382905  42.43857       1.491371  -3.128456      1.600012  
1 1 1 18  11 33 o 27.08678 0.6606540 7.335845       0.3575391 7.017776       0.4925194 7.690209       0.5198613 -1.238621      1.321308  
1 1 1 18  11 34 o 84.46453 0.9820046 71.55141       1.657463  69.64942       2.287059  73.65539       2.405433  -2.353714      1.964009  
1 1 1 18  11 35 o 6.268600 1.417413  0.3690023      0.2219732 0.5952684      0.2924869 0.6167898E-01  0.3408745 2.538544       2.834826  
1 1 1 18  11 36 o 31.26376 0.6611529 9.740694       0.4121128 9.108752       0.5566316 10.50731       0.6130801 -2.230120      1.322306  
1 1 1 18  11 37 o 39.10596 0.6764817 15.32434       0.5290085 15.67638       0.7551254 14.98503       0.7413273 0.8822403      1.352963  
1 1 1 18  11 38 o 11.37174 1.144960  1.316131       0.2576117 1.442832       0.3516783 1.169424       0.3784263 1.208135       2.289920  
1 1 1 18  11 39 o 61.01339 0.8019701 37.36386       0.9785685 36.90354       1.376239  37.83459       1.391700  -0.7603989     1.603940  
1 1 1 18  11 40 o 40.90659 1.001428  17.20491       0.7215304 16.05561       1.379880  17.63740       0.8464713 -2.047001      2.002856  
1 1 1 18  11 41 o 28.56391 0.9932722 8.557153       0.4984655 8.982432       0.5880981 7.472167       0.9393435 2.719875       1.986544  
1 1 1 18  11 42 o 34.06400 0.7042109 11.64205       0.4796921 11.51274       0.6713399 11.77694       0.6856610 -0.3852654     1.408422  
1 1 1 18  11 43 o 36.12537 0.8203176 13.02625       0.5726672 12.78856       0.7191529 13.43820       0.9467278 -0.8537636     1.640635  
1 1 1 18  12 0  o 100.6953 1.602508  101.5317       3.227084  101.2048       4.534487  101.8673       4.593662  -0.3271484     3.205015  
1 1 1 18  12 1  o 138.2301 2.113478  190.7334       5.822089  182.3615       7.846143  200.9911       8.684959  -6.702835      4.226956  
1 1 1 18  12 2  f 78.54456 1.322665  61.75616       2.077737  62.17170       2.945393  61.34456       2.931384  0.5261459      2.645329  
1 1 1 18  12 3  o 41.15115 0.9930068 16.93654       0.8168243 16.71231       1.133645  17.17864       1.177956  -0.5656281     1.986014  
1 1 1 18  12 4  o 141.4953 2.160372  200.7316       6.111307  197.7806       8.503115  203.8847       8.789377  -2.142685      4.320745  
1 1 1 18  12 5  f 89.75813 1.462315  79.85055       2.604476  74.45913       3.433254  87.15912       3.997335  -7.054474      2.924629  
1 1 1 18  12 6  o 91.53999 1.485787  83.91781       2.719767  83.14165       3.806995  84.72688       3.886913  -0.8627625     2.971574  
1 1 1 18  12 7  o 76.99898 1.312183  59.37069       2.020726  59.52781       2.856162  59.21321       2.859317  0.2043991      2.624367  
1 1 1 18  12 8  f 59.36034 1.122196  35.05466       1.326738  32.98158       1.780018  37.64593       1.990089  -3.921581      2.244391  
1 1 1 18  12 9  o 41.22385 1.001485  17.00835       0.8255283 16.93894       1.154651  17.08093       1.180733  -0.1713676     2.002969  
1 1 1 18  12 10 o 124.0496 1.922102  154.3328       4.766323  151.6123       6.615815  157.2687       6.872719  -2.263206      3.844204  
1 1 1 18  12 11 o 93.26124 1.508495  87.11617       2.812100  85.50585       3.899223  88.86155       4.059434  -1.790497      3.016990  
1 1 1 18  12 12 o 110.9556 1.744822  122.5279       3.847634  132.2327       5.850370  115.1306       5.107683  7.655205       3.489643  
1 1 1 18  12 13 f 62.59254 1.148274  39.16259       1.435826  40.92762       2.092551  37.59224       1.973780  2.658394       2.296548  
1 1 1 18  12 14 o 66.76791 1.197857  44.22752       1.589981  48.62650       2.415751  40.86554       2.111901  5.795383       2.395714  
1 1 1 18  12 15 o 40.46163 1.007901  16.28802       0.8128864 15.06685       1.096769  17.77650       1.210871  -3.342983      2.015803  
1 1 1 18  12 16 o 80.90387 1.359206  65.45121       2.195316  68.45050       3.225147  62.86174       2.996715  3.438339       2.718412  
1 1 1 18  12 17 o 46.66071 0.6396624 21.56296       0.5936174 23.99158       0.8990787 19.68605       0.7903883 4.609962       1.279325  
1 1 1 18  12 18 o 17.69439 0.5498571 3.124917       0.1939659 3.044404       0.2625726 3.221628       0.2877749 -0.5000305     1.099714  
1 1 1 18  12 19 o 30.01939 0.5646002 8.780224       0.3344973 7.446950       0.4337858 10.73584       0.5253610 -5.474909      1.129200  
1 1 1 18  12 20 o 57.16110 0.7275558 32.58230       0.8294591 31.13453       1.123518  34.31675       1.229729  -2.778442      1.455112  
1 1 1 18  12 21 o 39.41130 0.6127402 15.49324       0.4821597 16.70835       0.7043781 14.42187       0.6614027 2.898949       1.225480  
1 1 1 18  12 22 o 60.40849 0.8127958 36.62798       0.9769207 37.47742       1.324993  35.61619       1.446084  1.547611       1.625592  
1 1 1 18  12 23 f 27.91552 0.5924106 7.754657       0.3297110 7.243242       0.4452937 8.375300       0.4905478 -2.025492      1.184821  
1 1 1 18  12 24 o 68.27962 0.8283817 46.64653       1.130239  45.52233       1.559508  47.89032       1.640354  -1.728287      1.656763  
1 1 1 18  12 25 o 76.59892 1.137951  59.16498       1.628223  58.06363       2.857383  59.69455       1.981378  -1.156952      2.275901  
1 1 1 18  12 26 o 62.44650 1.190978  38.96857       1.483077  36.77757       2.005501  41.61280       2.203184  -3.847107      2.381956  
1 1 1 18  12 27 o 51.13924 0.8202254 26.09535       0.8049956 25.81912       1.003169  26.59489       1.349043  -0.7283936     1.640451  
1 1 1 18  12 28 o 45.23724 0.8542616 20.24306       0.7662660 18.56098       1.006480  22.56238       1.181849  -4.405396      1.708523  
1 1 1 18  12 29 o 70.75159 1.019364  50.14066       1.380896  50.58448       2.320259  49.89724       1.718352  0.4104233      2.038728  
1 1 1 18  12 30 o 40.74508 0.6544745 16.63021       0.5332323 16.73815       0.7483395 16.51887       0.7600045 0.2701035      1.308949  
1 1 1 18  12 31 o 61.37794 0.7911457 37.70651       0.9704186 39.31253       1.406161  36.24606       1.340921  2.490967       1.582291  
1 1 1 18  12 32 o 25.24630 0.6829956 6.340304       0.3435090 5.873487       0.4615603 6.919892       0.5142977 -2.067163      1.365991  
1 1 1 18  12 33 o 41.65353 0.6670269 17.19102       0.5525311 15.50548       0.7360250 19.36737       0.8363478 -4.625729      1.334054  
1 1 1 18  12 34 f 11.99339 1.012530  1.432514       0.2417831 1.285256       0.3250467 1.614914       0.3617577 -1.368116      2.025060  
1 1 1 18  12 35 o 36.91518 0.6689839 13.65072       0.4936081 13.47062       0.6843077 13.84608       0.7126915 -0.5051956     1.337968  
1 1 1 18  12 36 f 32.32226 0.6687102 10.47091       0.4322726 10.46494       0.6089975 10.47696       0.6136811 -0.1804352E-01 1.337420  
1 1 1 18  12 37 o 56.02685 0.7672285 31.29126       0.8564285 33.78518       1.281502  29.27843       1.151282  4.002583       1.534457  
1 1 1 18  12 38 o 33.56367 0.6804273 11.29141       0.4565660 11.75436       0.6515465 10.84477       0.6399727 1.353436       1.360855  
1 1 1 18  12 39 o 15.04068 2.031317  2.421729       0.5791522 2.118561       0.9249402 2.617246       0.7427866 -2.003741      4.062635  
1 1 1 18  12 40 o 38.02427 0.6960208 14.47234       0.5287153 13.84826       0.7270350 15.17285       0.7702695 -1.735016      1.392042  
1 1 1 18  12 41 f 40.55730 0.7088948 16.49561       0.5746692 16.22688       0.7965003 16.78738       0.8299410 -0.6852264     1.417790  
1 1 1 18  12 42 o 26.08433 0.7531983 6.852608       0.3888969 8.124762       0.5576582 5.648156       0.5426165 4.744553       1.506397  
1 1 1 18  12 43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  13 0  o 92.64211 2.131658  0.000000       0.000000  ?              ?         85.95221       3.949625  ?              ?         
1 1 1 18  13 1  o 66.57367 1.198319  44.26099       1.593406  46.34806       2.328062  42.42167       2.185519  2.944862       2.396637  
1 1 1 18  13 2  o 111.5341 1.750384  124.6375       3.903980  126.1981       5.579532  123.1407       5.464392  1.365623       3.500768  
1 1 1 18  13 3  o 17.51256 1.384265  3.067794       0.4842088 3.007868       0.6653604 3.135264       0.7059939 -0.3622608     2.768530  
1 1 1 18  13 4  o 150.8459 2.296190  228.4320       6.925871  225.8880       9.673538  231.1075       9.920447  -1.714294      4.592379  
1 1 1 18  13 5  o 69.38834 1.223551  48.19776       1.697819  49.01891       2.421981  47.40436       2.380708  1.161903       2.447103  
1 1 1 18  13 6  o 178.0272 2.687227  318.9403       9.566719  322.0273       13.66374  315.9719       13.39891  1.678101       5.374454  
1 1 1 18  13 7  o 65.77288 1.183259  43.31738       1.556445  43.30375       2.189817  43.33130       2.212653  -0.2005005E-01 2.366517  
1 1 1 18  13 8  o 91.53938 1.490286  83.92373       2.727320  85.69185       3.924930  82.27291       3.792503  1.860756       2.980572  
1 1 1 18  13 9  o 42.65482 1.010535  18.18501       0.8612161 19.36020       1.243288  17.10099       1.194089  2.646481       2.021069  
1 1 1 18  13 10 o 17.11163 1.392055  2.924765       0.4744849 2.574633       0.6525139 3.317646       0.6912022 -2.168961      2.784110  
1 1 1 18  13 11 o 46.94165 1.039838  21.97105       0.9739743 24.08471       1.428006  20.13251       1.331833  4.205353       2.079677  
1 1 1 18  13 12 f 49.31823 1.051727  24.35721       1.037381  24.38293       1.465283  24.33137       1.468880  0.5244827E-01  2.103453  
1 1 1 18  13 13 o 67.61559 1.211110  45.42762       1.628519  42.44139       2.167170  49.30120       2.468238  -5.055687      2.422219  
1 1 1 18  13 14 o 48.81578 1.043797  23.85973       1.018601  23.67630       1.416668  24.05605       1.465617  -0.3864517     2.087595  
1 1 1 18  13 15 o 99.95069 1.604225  100.2138       3.205189  98.36484       4.447039  102.2126       4.623766  -1.910095      3.208450  
1 1 1 18  13 16 o 56.09834 1.109147  31.39138       1.241542  33.66623       1.832913  29.46276       1.687676  3.737801       2.218294  
1 1 1 18  13 17 o 29.65894 1.072414  8.793161       0.6354107 8.384538       0.8739729 9.251335       0.9254475 -1.458174      2.144828  
1 1 1 18  13 18 o 36.80631 1.041741  13.52394       0.7645313 12.98826       1.034167  14.16954       1.135320  -1.598293      2.083481  
1 1 1 18  13 19 o 33.82768 0.5741779 11.44324       0.3882617 11.97472       0.5561309 10.93786       0.5423002 1.532017       1.148356  
1 1 1 18  13 20 o 36.93816 0.7211931 13.53292       0.5298439 12.51068       0.7053865 14.85641       0.8026196 -3.170300      1.442386  
1 1 1 18  13 21 o 21.49388 0.5747325 4.638983       0.2462114 4.955390       0.3428965 4.302231       0.3537480 1.519867       1.149465  
1 1 1 18  13 22 o 53.66143 0.7086335 28.80904       0.7602632 29.71214       1.091847  27.95906       1.059244  1.631580       1.417267  
1 1 1 18  13 23 o 100.5738 1.401083  101.5596       2.629443  101.8602       4.648434  101.4181       3.188606  0.4498291E-01  2.802166  
1 1 1 18  13 24 o 55.21461 1.131492  30.47374       1.247037  32.67269       1.833318  28.58023       1.701234  3.691650       2.262984  
1 1 1 18  13 25 o 51.70214 0.7043428 26.73123       0.7274592 26.01832       0.9999828 27.53261       1.060223  -1.460026      1.408686  
1 1 1 18  13 26 o 45.34638 0.6647197 20.59139       0.6028147 20.67892       0.8488520 20.50234       0.8562134 0.1952171      1.329439  
1 1 1 18  13 27 o 36.25050 0.6318802 12.84416       0.4524542 11.10880       0.5871621 15.38089       0.7099040 -5.883484      1.263760  
1 1 1 18  13 28 f 73.34261 0.8816030 53.85613       1.291978  55.80334       1.877355  52.10418       1.780738  2.511292       1.763206  
1 1 1 18  13 29 o 46.17535 0.8626704 21.37287       0.7962800 21.13461       1.106130  21.62916       1.147213  -0.5308075     1.725341  
1 1 1 18  13 30 o 42.43344 0.8323945 17.97414       0.7048507 19.53535       1.036550  16.63133       0.9613152 3.413300       1.664789  
1 1 1 18  13 31 o 28.43944 0.6437146 8.103372       0.3656072 8.133112       0.5041639 8.070385       0.5309703 0.1127777      1.287429  
1 1 1 18  13 32 o 34.95447 0.6520366 12.22975       0.4551823 12.05855       0.6253272 12.42268       0.6638485 -0.5171394     1.304073  
1 1 1 18  13 33 o 30.55624 0.6724903 9.358358       0.4102084 9.387027       0.5636418 9.326070       0.5981384 0.1035690      1.344981  
1 1 1 18  13 34 o 16.81029 0.8155205 2.773328       0.2706119 2.248249       0.3562049 3.490032       0.4161573 -3.684953      1.631041  
1 1 1 18  13 35 o 21.39937 0.7244845 4.584521       0.3093786 4.493646       0.4218647 4.690269       0.4550751 -0.4551315     1.448969  
1 1 1 18  13 36 o 61.27386 0.8037151 37.66298       0.9847047 38.24294       1.411274  37.11277       1.374615  0.9166069      1.607430  
1 1 1 18  13 37 o 36.90488 0.9946533 13.28869       0.6208165 14.46680       1.311045  12.94817       0.7048495 1.940361       1.989307  
1 1 1 18  13 38 o 6.912005 1.856559  0.3480713      0.2895216 0.3505357      0.3183485 0.3362826      0.6962724 -1.492163      3.713118  
1 1 1 18  13 39 o 11.42370 1.261801  1.388270       0.2703333 1.658996       0.3633290 1.052526       0.4046124 2.832524       2.523602  
1 1 1 18  13 40 o 18.56974 0.8453258 3.469941       0.3116135 3.507852       0.4173381 3.422174       0.4684539 0.2409248      1.690652  
1 1 1 18  13 41 f 22.28196 0.7969801 5.014344       0.3523931 5.717605       0.4974945 4.306174       0.4992281 3.167549       1.593960  
1 1 1 18  13 42 o 35.66609 1.090705  12.78893       0.7392724 12.95551       1.263126  12.70214       0.9117399 0.2598801      2.181410  
1 1 1 18  14 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  14 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  14 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  14 3  o 54.76134 1.548669  0.000000       0.000000  ?              ?         30.02068       1.696144  ?              ?         
1 1 1 18  14 4  f 35.74018 1.021219  12.76215       0.7291374 13.63436       1.055169  11.96505       1.008711  2.333771       2.042438  
1 1 1 18  14 5  o 48.25174 1.042177  23.18632       1.003071  25.10126       1.484711  21.57832       1.360525  3.646210       2.084353  
1 1 1 18  14 6  o 122.1967 1.900729  149.4935       4.636060  144.5048       6.322237  155.2964       6.818624  -4.382828      3.801458  
1 1 1 18  14 7  o 91.95540 1.500933  84.58358       2.756337  87.87492       4.032856  81.69828       3.775916  3.344139       3.001867  
1 1 1 18  14 8  o 50.98932 1.071085  26.00879       1.091666  27.22612       1.569436  24.86772       1.519473  2.310455       2.142170  
1 1 1 18  14 9  o 82.03889 1.380204  67.45723       2.264516  68.14258       3.219665  66.78629       3.185624  0.8245544      2.760409  
1 1 1 18  14 10 f 95.46579 1.549058  91.34388       2.955631  89.56614       4.090686  93.28561       4.275202  -1.935158      3.098116  
1 1 1 18  14 11 o 50.00201 1.065197  25.04986       1.064780  25.57194       1.494905  24.51225       1.516991  1.060734       2.130394  
1 1 1 18  14 12 o 83.19787 1.398762  68.83450       2.313241  64.56068       3.072617  74.42625       3.514581  -5.898849      2.797524  
1 1 1 18  14 13 o 85.91228 1.436713  74.01134       2.468211  75.06601       3.530358  73.00291       3.452113  1.194923       2.873426  
1 1 1 18  14 14 f 165.4905 2.523672  276.0492       8.341122  268.2050       11.43816  284.9584       12.18996  -4.959976      5.047344  
1 1 1 18  14 15 o 81.76436 1.387428  66.46709       2.255456  72.38195       3.423889  61.93280       2.997803  6.357124       2.774856  
1 1 1 18  14 16 o 59.61853 1.154458  35.62436       1.376380  35.76845       1.933989  35.47648       1.959248  0.2465744      2.308916  
1 1 1 18  14 17 o 88.19402 1.470110  78.05021       2.592248  79.66711       3.724825  76.53157       3.609862  1.766632       2.940220  
1 1 1 18  14 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  14 19 o 53.62724 1.120132  28.58255       1.195269  26.45408       1.594902  31.30967       1.805317  -4.510559      2.240264  
1 1 1 18  14 20 o 125.1164 1.359181  157.1686       3.401049  157.8464       4.828387  156.5011       4.791445  0.5337372      2.718361  
1 1 1 18  14 21 o 84.79362 1.433753  72.22160       2.430786  71.18392       3.389633  73.32021       3.487769  -1.247971      2.867507  
1 1 1 18  14 22 o 81.78951 1.399154  67.15758       2.287225  69.03277       3.308522  65.44103       3.165469  2.177917       2.798308  
1 1 1 18  14 23 o 56.81599 0.7352500 32.33006       0.8353764 32.39201       1.172845  32.26628       1.190146  0.1118965      1.470500  
1 1 1 18  14 24 o 71.46101 0.8578817 51.12960       1.225220  49.97546       1.694336  52.39458       1.773844  -1.685486      1.715763  
1 1 1 18  14 25 o 40.08381 0.6382253 16.08999       0.5115042 16.54275       0.7236972 15.63803       0.7230555 1.128490       1.276451  
1 1 1 18  14 26 o 94.11388 1.066577  88.72720       2.004530  85.84622       2.744677  92.02046       2.934500  -3.256599      2.133153  
1 1 1 18  14 27 o 51.10009 0.7084563 26.15301       0.7238544 25.93279       1.010463  26.38515       1.037439  -0.4402390     1.416913  
1 1 1 18  14 28 o 26.47155 0.6276163 6.891506       0.3292206 6.043895       0.4320947 8.064508       0.5083123 -3.810202      1.255233  
1 1 1 18  14 29 f 39.78611 0.6513142 15.83329       0.5176040 15.44604       0.7109869 16.26997       0.7549992 -1.031532      1.302628  
1 1 1 18  14 30 o 35.72255 0.7144403 12.94827       0.5010037 13.77594       0.6616187 11.83573       0.7670723 2.726460       1.428881  
1 1 1 18  14 31 o 9.832350 1.236229  1.061819       0.2255715 1.337047       0.2976838 0.6906792      0.3456829 3.421258       2.472458  
1 1 1 18  14 32 o 23.15678 0.7119469 5.375412       0.3296469 5.225391       0.4652156 5.526698       0.4671730 -0.6503487     1.423894  
1 1 1 18  14 33 o 18.78531 0.7553850 3.598351       0.2781228 4.332198       0.3883065 2.825302       0.3985432 4.012169       1.510770  
1 1 1 18  14 34 o 16.46250 0.8098673 2.751920       0.2631802 3.166509       0.3654837 2.305426       0.3792859 2.617246       1.619735  
1 1 1 18  14 35 o 31.53679 0.7623429 9.881777       0.4665284 10.36198       0.7661449 9.598790       0.5881420 1.184443       1.524686  
1 1 1 18  14 36 o 29.62629 1.039699  8.796163       0.5825300 8.725097       0.7144020 8.937165       1.006296  -0.2980881     2.079399  
1 1 1 18  14 37 o 20.47396 0.7594701 4.151945       0.3086804 3.549814       0.4123401 4.919574       0.4655711 -3.336256      1.518940  
1 1 1 18  14 38 o 16.27038 0.9309986 2.738906       0.2912596 3.550404       0.4084485 1.899359       0.4154472 5.075156       1.861997  
1 1 1 18  14 39 o 47.31299 0.7250436 22.43211       0.6855563 23.26868       0.9934819 21.67164       0.9472180 1.679893       1.450087  
1 1 1 18  14 40 o 20.01984 0.7992942 4.008470       0.3189110 3.827387       0.4298738 4.230128       0.4756016 -0.9966297     1.598588  
1 1 1 18  14 41 o 36.91972 0.8540418 13.67556       0.6287357 13.39738       0.8530130 14.00646       0.9303445 -0.8085403     1.708084  
1 1 1 18  15 0  o 146.7769 2.245413  216.0796       6.581825  209.8616       9.019977  223.1607       9.625735  -4.485001      4.490826  
1 1 1 18  15 1  f 98.08698 1.583641  96.44000       3.106671  96.87884       4.402110  96.00458       4.384931  0.4447327      3.167282  
1 1 1 18  15 2  o 49.58059 1.489454  24.60887       1.476961  24.60887       1.476961  ?              ?         ?              ?         
1 1 1 18  15 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  15 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  15 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  15 6  o 69.68765 1.255616  48.61645       1.748956  49.79156       2.527470  47.53678       2.422653  1.612068       2.511233  
1 1 1 18  15 7  o 111.5907 1.762491  124.9469       3.931704  122.9362       5.461222  127.1104       5.664909  -1.854256      3.524981  
1 1 1 18  15 8  o 87.37724 1.449949  76.50848       2.532900  78.22686       3.643690  74.90165       3.523458  1.894829       2.899898  
1 1 1 18  15 9  o 24.53640 1.177992  6.097126       0.5701801 6.527253       0.7636216 5.555150       0.8571757 1.986097       2.355984  
1 1 1 18  15 10 o 59.99158 1.148762  36.05415       1.378253  36.56578       1.956451  35.55010       1.941919  0.8456917      2.297525  
1 1 1 18  15 11 o 67.39471 1.232151  45.16428       1.652065  42.22581       2.202882  48.94130       2.497500  -4.963394      2.464302  
1 1 1 18  15 12 o 35.02187 1.071775  12.17169       0.7464483 11.24947       0.9930145 13.36976       1.131829  -3.019115      2.143549  
1 1 1 18  15 13 f 81.62025 1.391120  66.76597       2.269330  65.44881       3.140770  68.20475       3.282556  -1.677399      2.782240  
1 1 1 18  15 14 o 41.31293 1.059734  17.09310       0.8749271 18.05133       1.249909  16.17248       1.225130  2.272415       2.119467  
1 1 1 18  15 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  15 16 o 31.72358 1.153436  10.04327       0.7208923 12.62693       1.062162  7.836728       0.9815896 7.543526       2.306871  
1 1 1 18  15 17 f 55.84683 1.144501  31.18070       1.275151  30.08873       1.731932  32.47335       1.884367  -2.122749      2.289002  
1 1 1 18  15 18 o 93.33162 1.540933  87.15391       2.866720  83.11362       3.867611  92.08000       4.270586  -4.757744      3.081867  
1 1 1 18  15 19 o 102.5647 1.661490  105.8596       3.408113  105.6636       4.800626  106.0588       4.839207  -0.1874466     3.322979  
1 1 1 18  15 20 o 46.62044 1.101081  21.74067       1.024290  21.00056       1.393222  22.61128       1.511075  -1.716373      2.202162  
1 1 1 18  15 21 o 89.09656 1.013474  79.52514       1.804625  77.85989       2.495600  81.35031       2.612673  -1.947800      2.026948  
1 1 1 18  15 22 o 54.51664 0.7191892 29.62246       0.7814725 28.14073       1.053571  31.43474       1.165175  -3.012932      1.438378  
1 1 1 18  15 23 o 19.49877 0.5984066 3.785802       0.2325852 3.568349       0.3136466 4.051470       0.3466789 -1.236769      1.196813  
1 1 1 18  15 24 o 19.43534 0.6104678 3.755734       0.2362106 3.523458       0.3161658 4.049175       0.3553640 -1.349821      1.220936  
1 1 1 18  15 25 o 25.78777 0.6005340 6.522246       0.3065392 5.636254       0.4011877 7.765107       0.4751645 -4.122372      1.201068  
1 1 1 18  15 26 o 21.39962 0.6277055 4.600948       0.2677671 4.878863       0.3719559 4.301988       0.3857823 1.348959       1.255411  
1 1 1 18  15 27 o 31.25851 0.7019727 9.800596       0.4327325 9.720190       0.6688172 9.858491       0.5675328 -0.2307301     1.403945  
1 1 1 18  15 28 o 39.82410 0.6534523 15.88663       0.5203740 16.26356       0.7373835 15.51268       0.7344650 0.9424820      1.306905  
1 1 1 18  15 29 f 63.24619 0.8068950 40.05253       1.019857  41.51048       1.478612  38.72952       1.408530  2.190292       1.613790  
1 1 1 18  15 30 o 36.31284 0.6548703 13.20160       0.4749226 14.20945       0.6809542 12.24705       0.6627016 2.700298       1.309741  
1 1 1 18  15 31 o 30.00076 0.6456034 9.018877       0.3867925 9.680552       0.5516235 8.378895       0.5425048 2.168402       1.291207  
1 1 1 18  15 32 o 31.86925 0.7662392 10.15342       0.4865238 11.47983       0.7084631 8.969596       0.6693029 3.933067       1.532478  
1 1 1 18  15 33 o 11.58246 1.122549  1.305847       0.2430210 0.8704545      0.3121662 1.975681       0.3871943 -4.879837      2.245098  
1 1 1 18  15 34 f 31.76771 1.323863  10.19218       0.8392457 11.06786       1.195380  9.341004       1.178544  2.713734       2.647726  
1 1 1 18  15 35 o 17.28179 0.7892327 2.995358       0.2708449 2.982582       0.3617273 3.011660       0.4086082 -0.7675934E-01 1.578465  
1 1 1 18  15 36 o 7.242263 1.424283  0.5581168      0.2164229 0.6562013      0.2812504 0.4157190      0.3388790 1.326285       2.848566  
1 1 1 18  15 37 o 9.953663 1.312328  0.9976715      0.2514633 0.6279434      0.3325466 1.491391       0.3842830 -4.422788      2.624655  
1 1 1 18  15 38 o 53.53786 0.7656263 28.77224       0.8197688 29.12731       1.163090  28.42173       1.155602  0.6576195      1.531253  
1 1 1 18  15 39 o 50.43685 0.7466697 25.53940       0.7531839 25.40881       1.061973  25.67157       1.068382  -0.2592697     1.493339  
1 1 1 18  15 40 o 35.85195 0.8171826 12.91046       0.5818003 12.89046       0.7776636 12.93589       0.8768097 -0.4352951E-01 1.634365  
1 1 1 18  16 0  f 131.1707 2.031145  172.8244       5.328075  174.5309       7.596364  171.1718       7.475168  1.270721       4.062290  
1 1 1 18  16 1  o 99.85016 1.608229  99.95163       3.210265  98.38084       4.462564  101.6364       4.621614  -1.619652      3.216458  
1 1 1 18  16 2  o 51.50483 1.075394  26.56441       1.107404  26.54563       1.546379  26.58418       1.586607  -0.3556442E-01 2.150788  
1 1 1 18  16 3  o 69.24437 1.242275  47.94547       1.717900  46.37702       2.353676  49.73360       2.513108  -2.414940      2.484549  
1 1 1 18  16 4  f 30.96922 1.047881  9.613454       0.6477910 9.765779       0.8929759 9.444249       0.9411508 0.5213871      2.095762  
1 1 1 18  16 5  f 66.54259 1.715076  44.36364       2.282512  44.36364       2.282512  ?              ?         ?              ?         
1 1 1 18  16 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  16 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  16 8  o 24.41202 1.815089  0.000000       0.000000  ?              ?         5.973601       0.8861997 ?              ?         
1 1 1 18  16 9  o 46.61340 1.075952  21.73979       1.001657  21.30756       1.374871  22.22873       1.462279  -0.9831276     2.151904  
1 1 1 18  16 10 o 41.15656 1.069369  16.96987       0.8796789 17.76089       1.250016  16.19376       1.238176  1.903183       2.138738  
1 1 1 18  16 11 o 68.86833 1.258914  47.53543       1.733620  47.02418       2.422202  48.07237       2.482321  -0.7567978     2.517828  
1 1 1 18  16 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  16 13 f 51.75925 1.123441  26.84919       1.162684  27.67493       1.652746  26.04014       1.635951  1.578022       2.246882  
1 1 1 18  16 14 o 29.13759 1.153705  8.447746       0.6688448 7.913400       0.8923224 9.132903       1.010428  -2.083195      2.307411  
1 1 1 18  16 15 o 59.49406 1.177374  35.42646       1.399538  37.58073       2.027089  33.46423       1.934636  3.451958       2.354747  
1 1 1 18  16 16 o 43.90305 1.097657  19.27249       0.9620960 18.52858       1.313763  20.13285       1.412853  -1.819176      2.195314  
1 1 1 18  16 17 f 108.1656 1.737321  117.7444       3.756976  116.1063       5.229150  119.4922       5.401367  -1.541298      3.474642  
1 1 1 18  16 18 o 36.42795 1.101709  13.26681       0.8002570 12.80613       1.083308  13.82019       1.187295  -1.382233      2.203418  
1 1 1 18  16 19 o 7.895775 2.184888  0.3791906      0.4954582 0.3742319      0.6485223 0.3861422      0.7678667 -0.5047307     4.369776  
1 1 1 18  16 20 o 21.44739 1.440639  4.656347       0.6115019 4.866849       0.8194339 4.391796       0.9186308 1.121422       2.881277  
1 1 1 18  16 21 o 11.31397 2.164158  1.380402       0.5283668 1.854284       0.6947622 0.7303820      0.8137012 3.992684       4.328316  
1 1 1 18  16 22 o 26.25910 0.5508217 6.872342       0.2883448 7.703578       0.4219266 6.143930       0.3949692 2.968138       1.101643  
1 1 1 18  16 23 o 41.01598 0.6321556 16.80514       0.5177016 16.19556       0.7076931 17.50689       0.7593104 -1.594833      1.264311  
1 1 1 18  16 24 o 52.84626 0.7129543 27.97453       0.7534881 28.43820       1.069605  27.51775       1.061626  0.8701897      1.425909  
1 1 1 18  16 25 o 40.86961 0.6425151 16.71700       0.5250054 17.23722       0.7540333 16.22751       0.7314223 1.233398       1.285030  
1 1 1 18  16 26 f 39.23525 0.6423861 15.42470       0.5038413 15.92302       0.7109290 14.92183       0.7141604 1.276173       1.284772  
1 1 1 18  16 27 o 10.69515 0.9877322 1.221246       0.1942629 1.558407       0.2644243 0.8258778      0.2863410 3.549332       1.975464  
1 1 1 18  16 28 o 66.69601 1.158268  44.13538       1.476512  46.73077       2.518432  42.77604       1.822614  2.847809       2.316535  
1 1 1 18  16 29 o 17.09724 0.7119069 2.898611       0.2416086 2.692217       0.3188649 3.176860       0.3702324 -1.411768      1.423814  
1 1 1 18  16 30 o 33.19377 0.6469162 11.04023       0.4286132 11.98872       0.6126105 10.13072       0.5998911 2.797325       1.293832  
1 1 1 18  16 31 o 14.69584 0.8581684 2.277353       0.2391756 2.887933       0.3243491 1.549642       0.3540959 4.557574       1.716337  
1 1 1 18  16 32 o 16.32419 2.140379  2.794595       0.6797034 3.025207       0.9311967 2.531613       0.9944050 1.822389       4.280759  
1 1 1 18  16 33 o 25.30859 0.7267542 6.458679       0.3605072 6.609412       0.4685852 6.240054       0.5643290 0.7428608      1.453508  
1 1 1 18  16 34 o 44.84553 0.8678833 20.18538       0.7775668 19.96344       1.072315  20.43149       1.129178  -0.5119972     1.735767  
1 1 1 18  16 35 f 54.88502 0.7789775 30.23626       0.8550283 30.16432       1.201730  30.31001       1.216797  -0.1301460     1.557955  
1 1 1 18  16 36 o 30.33436 0.6645415 9.215603       0.4028368 8.957065       0.5560902 9.501089       0.5843547 -0.8925743     1.329083  
1 1 1 18  16 37 o 30.14820 0.6755796 9.118429       0.4072461 9.328056       0.5747876 8.907124       0.5770853 0.6984653      1.351159  
1 1 1 18  16 38 o 6.253586 1.529258  0.3577026      0.2285581 0.3525760      0.2902762 0.3660658      0.3707555 -0.3673263     3.058515  
1 1 1 18  16 39 o 47.35719 0.9179105 22.49449       0.8673534 21.68933       1.179210  23.44355       1.280257  -1.829411      1.835821  
1 1 1 18  17 0  f 92.40973 1.519035  85.39922       2.801470  82.02888       3.813644  89.34971       4.128856  -3.939209      3.038070  
1 1 1 18  17 1  o 172.1681 2.619582  299.0799       9.020102  299.9085       12.78677  298.2591       12.72615  0.4716492      5.239164  
1 1 1 18  17 2  o 17.37717 1.473692  3.041900       0.5070708 3.132969       0.6771063 2.925607       0.7651516 0.6027565      2.947383  
1 1 1 18  17 3  o 15.40357 1.632341  2.388970       0.4998265 2.458543       0.6766015 2.305391       0.7415821 0.5022573      3.264682  
1 1 1 18  17 4  o 32.89177 1.071000  10.82891       0.7010182 12.35110       1.011159  9.420213       0.9727358 4.453300       2.142000  
1 1 1 18  17 5  o 37.96301 1.068004  14.43495       0.8105737 14.40289       1.129990  14.46893       1.163388  -0.8514023E-01 2.136008  
1 1 1 18  17 6  o 94.15123 1.552873  88.75182       2.918143  85.82175       3.977828  92.16624       4.294043  -3.343239      3.105746  
1 1 1 18  17 7  o 27.48833 1.242817  7.687152       0.6698124 9.337349       0.9412477 5.994124       0.9533845 6.081970       2.485633  
1 1 1 18  17 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  17 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  17 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  17 11 o 59.41246 1.688010  0.000000       0.000000  ?              ?         35.39290       2.005776  ?              ?         
1 1 1 18  17 12 o 50.42640 1.123472  25.42290       1.130457  24.53571       1.537661  26.46644       1.667654  -1.904167      2.246943  
1 1 1 18  17 13 f 41.37096 1.087938  17.10974       0.8987346 16.36915       1.229086  17.96074       1.317523  -1.916817      2.175876  
1 1 1 18  17 14 o 49.28194 1.111606  24.31141       1.094397  26.00140       1.579505  22.75095       1.517763  3.292801       2.223213  
1 1 1 18  17 15 o 7.011988 2.084250  0.5218633E-01  0.5005992 0.2565153      0.6580037 -0.2285888     0.7713343 0.6438494      4.168501  
1 1 1 18  17 16 o 69.91484 1.284468  48.95911       1.793797  51.37735       2.618301  46.82014       2.462487  3.242317       2.568937  
1 1 1 18  17 17 o 56.47729 1.176045  32.00726       1.328290  32.55199       1.882729  31.46741       1.874272  0.9593124      2.352090  
1 1 1 18  17 18 o 14.99788 2.017427  2.349764       0.5804273 2.367284       0.7829659 2.328388       0.8648213 0.1787672      4.034854  
1 1 1 18  17 19 o 85.21918 1.460650  73.07629       2.489418  73.12048       3.506306  73.03136       3.535007  0.5661011E-01  2.921300  
1 1 1 18  17 20 o 23.80125 1.386999  5.699203       0.6559344 5.712028       0.8794784 5.683128       0.9846717 0.7610130E-01  2.773999  
1 1 1 18  17 21 o 41.71760 1.136690  17.45676       0.9468834 17.17786       1.298408  17.77358       1.383864  -0.7031822     2.273380  
1 1 1 18  17 22 o 25.07168 1.384514  6.132925       0.6785423 4.583945       0.8846236 8.346814       1.057581  -7.476204      2.769029  
1 1 1 18  17 23 o 74.46368 0.8883030 55.51554       1.321560  57.50202       1.923112  53.73803       1.819154  2.515785       1.776606  
1 1 1 18  17 24 o 16.55820 0.5832365 2.731549       0.1924845 2.588680       0.2594588 2.906429       0.2870570 -0.9573460     1.166473  
1 1 1 18  17 25 f 30.84968 0.6036092 9.409547       0.3698224 11.07430       0.5576173 8.102270       0.4941340 4.811741       1.207218  
1 1 1 18  17 26 o 30.76688 0.6083366 9.488109       0.3739209 9.685869       0.5201660 9.276643       0.5378872 0.6665783      1.216673  
1 1 1 18  17 27 o 70.62433 0.8643745 50.00928       1.220630  51.19155       1.748995  48.88662       1.704334  1.626160       1.728749  
1 1 1 18  17 28 o 59.23683 0.7814101 35.17662       0.9256526 35.73532       1.321570  34.63857       1.296919  0.9227257      1.562820  
1 1 1 18  17 29 o 11.25774 2.463605  1.279116       0.6383308 1.779259       0.8863660 0.7402401      0.9200480 3.329846       4.927210  
1 1 1 18  17 30 f 35.34557 1.291273  12.58788       0.9120844 12.38300       1.260834  12.81280       1.321035  -0.5943031     2.582547  
1 1 1 18  17 31 o 32.44019 0.6522155 10.55339       0.4222991 10.66206       0.5806899 10.43141       0.6152498 0.3595428      1.304431  
1 1 1 18  17 32 o 22.31242 0.6889713 5.006322       0.3061337 5.182930       0.4186395 4.803341       0.4488106 0.8546276      1.377943  
1 1 1 18  17 33 o 35.66240 0.6691463 12.75200       0.4769201 12.79482       0.6625596 12.70597       0.6870400 0.1278610      1.338293  
1 1 1 18  17 34 o 30.02336 0.6769191 9.057662       0.4054428 9.346191       0.5595682 8.738770       0.5882735 1.015890       1.353838  
1 1 1 18  17 35 o 20.32880 0.8036828 4.103811       0.3236094 3.843609       0.4240324 4.466743       0.5007914 -1.519009      1.607366  
1 1 1 18  17 36 o 25.40305 0.7279891 6.431550       0.3684925 7.226567       0.5458841 5.766007       0.4994591 2.866892       1.455978  
1 1 1 18  17 37 o 16.95888 0.8946941 2.807133       0.2985824 2.422000       0.3828792 3.404838       0.4769797 -2.876414      1.789388  
1 1 1 18  17 38 f 25.28974 0.7979425 6.407209       0.4003178 6.296743       0.5311702 6.552447       0.6090587 -0.4903412     1.595885  
1 1 1 18  18 0  o 83.30395 1.413072  69.56834       2.353392  68.59428       3.274807  70.60860       3.384290  -1.201035      2.826145  
1 1 1 18  18 1  o 21.77160 1.316260  4.809330       0.5661985 5.325679       0.7728709 4.211199       0.8318269 2.563520       2.632521  
1 1 1 18  18 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  18 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  18 4  o 72.58183 1.308967  52.76924       1.898684  51.56358       2.623818  54.09459       2.750983  -1.734413      2.617933  
1 1 1 18  18 5  o 77.44424 1.352033  60.14904       2.094023  60.02263       2.944276  60.27843       2.978819  -0.1625214     2.704067  
1 1 1 18  18 6  o 86.42235 1.463120  74.94814       2.528852  75.69273       3.590843  74.21547       3.562004  0.8522110      2.926240  
1 1 1 18  18 7  o 65.60957 1.229802  43.04580       1.610410  41.48834       2.194151  44.86450       2.371049  -2.559479      2.459603  
1 1 1 18  18 8  o 80.18671 1.392032  64.36266       2.228885  67.50639       3.267103  61.62560       3.048479  3.646790       2.784065  
1 1 1 18  18 9  o 66.13506 1.253855  43.87593       1.658374  44.05331       2.335277  43.69548       2.355445  0.2723007      2.507710  
1 1 1 18  18 10 o 82.53491 2.003319  68.39125       3.306875  68.39125       3.306875  ?              ?         ?              ?         
1 1 1 18  18 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  18 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  18 13 o 47.09129 1.663122  0.000000       0.000000  ?              ?         22.24642       1.566371  ?              ?         
1 1 1 18  18 14 o 26.89367 1.229894  7.305036       0.6572523 8.002676       0.9119681 6.551063       0.9480729 2.702543       2.459788  
1 1 1 18  18 15 o 22.07426 1.428267  4.806466       0.6243530 4.238409       0.8167488 5.605126       0.9684420 -3.076328      2.856535  
1 1 1 18  18 16 o 69.66837 1.295390  48.76146       1.804637  48.87707       2.530214  48.64177       2.574650  0.1744308      2.590780  
1 1 1 18  18 17 o 7.066257 2.118716  0.2594802E-02  0.5284306 0.2424535      0.6949196 -0.3262527     0.8136809 0.7500262      4.237431  
1 1 1 18  18 18 o 36.16278 1.158717  13.15191       0.8363312 13.56644       1.158160  12.70021       1.208978  1.203876       2.317434  
1 1 1 18  18 19 o 17.57022 1.809456  3.275288       0.5935740 4.126245       0.8175712 2.326776       0.8631644 5.357487       3.618911  
1 1 1 18  18 20 o 49.11416 1.174232  24.13518       1.150478  22.93913       1.560311  25.56015       1.703093  -2.648712      2.348463  
1 1 1 18  18 21 o 40.95105 1.163820  16.71447       0.9489077 15.45074       1.270535  18.30853       1.426961  -3.466778      2.327640  
1 1 1 18  18 22 f 33.10160 1.219784  11.05252       0.8045129 12.02982       1.130330  10.04912       1.145324  2.994232       2.439568  
1 1 1 18  18 23 o 76.14367 1.383521  58.37904       2.106238  57.47916       2.933692  59.33629       3.025783  -1.202225      2.767042  
1 1 1 18  18 24 o 41.07682 0.9961137 17.98577       0.6836300 18.96667       0.7886658 15.02137       1.371034  4.877609       1.992227  
1 1 1 18  18 25 o 12.03561 0.7032565 1.454551       0.1683313 1.482223       0.2275725 1.421119       0.2501371 0.2561560      1.406513  
1 1 1 18  18 26 o 33.47684 0.6144785 11.21307       0.4109810 11.96606       0.5908553 10.50730       0.5720316 2.177040       1.228957  
1 1 1 18  18 27 o 29.53466 0.6118303 8.722919       0.3606152 8.522037       0.4916429 8.956856       0.5305503 -0.7322178     1.223661  
1 1 1 18  18 28 o 35.75942 1.271742  12.89381       0.9055111 14.52748       1.298898  11.34912       1.263028  4.436127       2.543484  
1 1 1 18  18 29 o 49.22272 0.7171739 24.28947       0.7059995 24.56855       1.002651  24.01504       0.9942700 0.5611877      1.434348  
1 1 1 18  18 30 o 43.02655 1.071626  19.04819       0.8541299 19.81892       1.041114  17.46155       1.493781  2.825863       2.143252  
1 1 1 18  18 31 o 33.19416 0.6536489 11.05383       0.4334582 11.27460       0.6026413 10.81721       0.6239171 0.6916962      1.307298  
1 1 1 18  18 32 o 38.83101 0.6752658 15.11579       0.5237207 15.07534       0.7217315 15.16078       0.7611449 -0.1046066     1.350532  
1 1 1 18  18 33 o 23.88670 0.6762335 5.743795       0.3209632 5.937172       0.4343597 5.511210       0.4763636 0.8979626      1.352467  
1 1 1 18  18 34 o 41.30524 0.6920840 17.11256       0.5714813 17.79624       0.8122464 16.44235       0.8042067 1.637646       1.384168  
1 1 1 18  18 35 o 37.01079 0.7663419 13.64973       0.5647128 14.83037       0.8492818 12.71402       0.7560697 2.842201       1.532684  
1 1 1 18  18 36 o 39.15179 0.8156245 15.40736       0.6384038 15.79961       0.8988328 15.00804       0.9068998 1.012566       1.631249  
1 1 1 18  18 37 o 27.71819 0.7839950 7.751664       0.4315566 8.805813       0.6102962 6.697399       0.6103302 3.803310       1.567990  
1 1 1 18  19 0  o 41.37959 1.064423  17.10798       0.8787000 16.54769       1.193636  17.77083       1.298289  -1.471645      2.128846  
1 1 1 18  19 1  o 26.64117 1.218085  7.122004       0.6482460 7.485275       0.9135953 6.753659       0.9199542 1.373539       2.436170  
1 1 1 18  19 2  o 89.92015 1.506004  80.80497       2.699271  77.01784       3.641059  85.42599       4.021996  -4.640961      3.012009  
1 1 1 18  19 3  o 90.10695 1.511832  81.52073       2.724506  81.43762       3.843823  81.60463       3.862309  -0.9091949E-01 3.023664  
1 1 1 18  19 4  f 64.40057 1.228290  41.46123       1.578532  39.75148       2.147141  43.47227       2.328654  -2.874096      2.456580  
1 1 1 18  19 5  o 76.25801 1.346992  58.16624       2.050460  61.49433       3.015908  55.30554       2.796126  4.037361       2.693985  
1 1 1 18  19 6  o 14.76257 1.828192  2.200350       0.5262394 1.959813       0.7004162 2.512121       0.7974126 -2.074385      3.656384  
1 1 1 18  19 7  o 60.20531 1.186446  36.31449       1.427861  37.93582       2.052437  34.79380       1.987720  2.604046       2.372892  
1 1 1 18  19 8  o 70.82228 1.299161  50.29839       1.839025  49.53209       2.548199  51.13136       2.656744  -1.119034      2.598322  
1 1 1 18  19 9  o 52.10207 1.151730  27.22727       1.199848  27.94890       1.697657  26.50702       1.696027  1.383572       2.303461  
1 1 1 18  19 10 o 12.48568 2.173860  1.597595       0.5426531 1.217603       0.7230057 2.087801       0.8211915 -3.249258      4.347720  
1 1 1 18  19 11 o 77.22961 1.375280  59.75735       2.119963  57.63332       2.889593  62.23327       3.119784  -2.951622      2.750561  
1 1 1 18  19 12 o 33.21264 1.208043  11.09095       0.7994009 11.33068       1.091070  10.81311       1.174591  0.7879410      2.416085  
1 1 1 18  19 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  19 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  19 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  19 16 o 8.214849 2.216025  0.2072350      0.5447864 -0.3610631     0.7103582 1.018847       0.8489138 -4.218482      4.432050  
1 1 1 18  19 17 o 13.82678 2.090028  1.920641       0.5731660 1.354755       0.7581092 2.675705       0.8757076 -4.877558      4.180056  
1 1 1 18  19 18 f 19.65743 1.657830  3.980310       0.6379290 4.629543       0.8712795 3.230093       0.9365926 3.571993       3.315661  
1 1 1 18  19 19 o 12.89434 2.275740  1.762562       0.5829335 1.814946       0.7786187 1.695752       0.8793217 0.4368992      4.551479  
1 1 1 18  19 20 o 58.36334 1.222440  34.24592       1.426551  35.32746       2.029084  33.18884       2.006009  1.828499       2.444880  
1 1 1 18  19 21 o 50.08956 1.200060  25.24262       1.199591  25.46623       1.647214  24.99011       1.750444  0.4919777      2.400120  
1 1 1 18  19 22 o 65.10912 1.297556  42.63305       1.688319  41.80605       2.333236  43.54196       2.446044  -1.312943      2.595113  
1 1 1 18  19 23 o 43.25071 1.195951  18.82572       1.032491  20.33919       1.469670  17.35078       1.450838  3.451496       2.391902  
1 1 1 18  19 24 o 35.96702 1.238287  13.03671       0.8884067 14.17259       1.259858  11.91323       1.252964  3.139622       2.476575  
1 1 1 18  19 25 o 52.01220 1.226054  27.18677       1.273729  26.37227       1.748172  28.10846       1.859643  -1.647549      2.452108  
1 1 1 18  19 26 o 35.25867 1.281363  12.51432       0.9012507 12.30928       1.226810  12.75472       1.328360  -0.6093140     2.562726  
1 1 1 18  19 27 o 39.93095 0.6494203 15.83002       0.5156989 14.64166       0.6860772 17.37352       0.7818984 -3.409756      1.298841  
1 1 1 18  19 28 f 29.10752 0.6121857 8.494009       0.3561432 8.704146       0.4988317 8.275530       0.5086365 0.7373333      1.224371  
1 1 1 18  19 29 o 19.73253 0.6446308 3.919379       0.2531672 4.132627       0.3476757 3.678685       0.3693736 1.152874       1.289262  
1 1 1 18  19 30 o 12.97487 0.8215213 1.730940       0.2079444 1.975211       0.2791752 1.426527       0.3116538 2.119619       1.643043  
1 1 1 18  19 31 o 24.38866 1.260335  5.659531       0.3962694 5.558187       0.4202751 6.471392       1.189534  -1.681894      2.520670  
1 1 1 18  19 32 o 15.85368 0.7672241 2.464662       0.2402602 2.154596       0.3115251 2.919832       0.3774436 -2.402197      1.534448  
1 1 1 18  19 33 o 30.92306 0.6981728 9.602303       0.4311936 9.360197       0.6215667 9.826907       0.5986770 -0.7582397     1.396346  
1 1 1 18  19 34 o 19.14166 0.8260632 3.770015       0.3042032 4.964744       0.4313378 2.587720       0.4290875 6.208601       1.652126  
1 1 1 18  19 35 o 19.50787 0.7936211 3.813620       0.3071122 3.755222       0.4076198 3.890295       0.4670691 -0.3344727     1.587242  
1 1 1 18  19 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  20 0  o 72.05481 1.303662  52.08512       1.878528  53.05377       2.674360  51.14173       2.639267  1.323601       2.607323  
1 1 1 18  20 1  o 89.87387 1.506854  80.97324       2.704151  78.41731       3.699706  83.90482       3.962275  -3.025085      3.013708  
1 1 1 18  20 2  o 67.15643 1.258567  45.24017       1.690380  45.66560       2.397195  44.81942       2.383977  0.6288300      2.517134  
1 1 1 18  20 3  o 34.78271 1.129000  12.11473       0.7835843 11.92878       1.068792  12.33084       1.152215  -0.5713463     2.258000  
1 1 1 18  20 4  o 56.88930 1.168490  32.35301       1.327427  34.50868       1.941641  30.46128       1.818896  3.546986       2.336980  
1 1 1 18  20 5  o 18.00391 1.544110  3.151015       0.5423104 2.323623       0.7051840 4.348632       0.8484098 -5.607443      3.088220  
1 1 1 18  20 6  o 41.38392 1.119326  17.10786       0.9220340 19.61539       1.346615  14.89471       1.265104  5.696335       2.238651  
1 1 1 18  20 7  o 50.88460 1.153368  25.60272       1.163389  23.32124       1.526252  28.76666       1.797350  -5.325085      2.306736  
1 1 1 18  20 8  o 43.23626 1.135052  18.71631       0.9798130 20.33899       1.416544  17.22780       1.356721  3.592171       2.270104  
1 1 1 18  20 9  o 55.88963 1.188865  31.28412       1.327586  33.05943       1.926192  29.67765       1.832306  3.015648       2.377729  
1 1 1 18  20 10 o 33.24076 1.187078  10.97000       0.7844898 10.00036       1.042468  12.23613       1.191227  -3.346735      2.374155  
1 1 1 18  20 11 o 53.41898 1.183406  28.64765       1.264238  28.74410       1.779176  28.54928       1.796759  0.1843948      2.366812  
1 1 1 18  20 12 o 45.65549 1.162497  20.93884       1.060828  21.44241       1.486696  20.41649       1.514156  1.126835       2.324995  
1 1 1 18  20 13 o 61.16842 1.233121  37.55332       1.507901  39.02220       2.166851  36.17404       2.099721  2.319435       2.466242  
1 1 1 18  20 14 o 57.48524 1.229031  33.09690       1.410732  35.69595       2.057201  30.78969       1.938262  4.251663       2.458063  
1 1 1 18  20 15 o 63.62732 1.792922  40.69228       2.281576  40.69228       2.281576  ?              ?         ?              ?         
1 1 1 18  20 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  20 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  20 18 o 12.69811 3.662612  0.000000       0.000000  ?              ?         1.690713       0.9815579 ?              ?         
1 1 1 18  20 19 f 67.84119 1.325815  46.33505       1.798713  47.16807       2.547029  45.50629       2.540512  1.223595       2.651629  
1 1 1 18  20 20 o 45.51891 1.217209  20.86076       1.106914  21.73129       1.554374  19.96504       1.576689  1.943859       2.434418  
1 1 1 18  20 21 o 10.68432 2.461159  1.137390       0.6166450 1.418822       0.8129840 0.7561356      0.9462422 1.898921       4.922318  
1 1 1 18  20 22 o 36.46208 1.251744  13.45141       0.9072531 14.21802       1.240244  12.56900       1.330617  2.277794       2.503488  
1 1 1 18  20 23 o 82.69839 1.474493  69.03096       2.438645  69.87354       3.467933  68.20676       3.429913  0.9991074      2.948987  
1 1 1 18  20 24 o 34.56227 1.278354  12.05879       0.8818044 12.43518       1.220673  11.64800       1.275235  1.150524       2.556708  
1 1 1 18  20 25 o 32.38796 1.353529  10.64037       0.8720281 11.39445       1.202970  9.805312       1.265904  2.468208       2.707059  
1 1 1 18  20 26 o 23.04161 1.677084  5.383410       0.7708372 5.377749       1.052749  5.389952       1.131795  -0.3051758E-02 3.354169  
1 1 1 18  20 27 f 36.39534 0.6322246 13.27556       0.4601231 13.53367       0.6499649 13.01627       0.6514623 0.7109833      1.264449  
1 1 1 18  20 28 o 46.39726 0.6977999 21.51785       0.6464781 23.15115       0.9438044 20.07420       0.8873237 3.308132       1.395600  
1 1 1 18  20 29 o 28.13141 0.6211221 7.925593       0.3487830 7.844707       0.4774794 8.018126       0.5107023 -0.3040695     1.242244  
1 1 1 18  20 30 o 36.59658 0.6557842 13.42833       0.4797647 13.99138       0.6826503 12.87881       0.6744043 1.518852       1.311568  
1 1 1 18  20 31 o 44.25349 0.7300463 19.65289       0.6456336 19.54148       0.9302747 19.75643       0.8967744 -0.2482605     1.460093  
1 1 1 18  20 32 o 30.53963 0.7302923 9.229075       0.4419797 8.448400       0.5792592 10.31686       0.6837682 -3.041410      1.460585  
1 1 1 18  20 33 o 26.28312 0.7313479 6.619814       0.3755213 5.410373       0.4745037 8.646865       0.6142985 -6.131403      1.462696  
1 1 1 18  20 34 f 23.65757 1.579219  0.000000       0.000000  ?              ?         5.645057       0.7472097 ?              ?         
1 1 1 18  20 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  21 0  o 24.97540 1.253525  6.266461       0.6212330 7.321618       0.8936428 5.279668       0.8642086 4.085075       2.507050  
1 1 1 18  21 1  o 33.88643 1.151038  11.53371       0.7761109 13.04632       1.109246  10.08308       1.086287  4.370216       2.302076  
1 1 1 18  21 2  o 12.93269 2.124363  1.696693       0.5426533 1.216447       0.7144445 2.351538       0.8342687 -4.172346      4.248727  
1 1 1 18  21 3  o 46.57764 1.131974  21.76632       1.053820  21.94067       1.467710  21.58079       1.514023  0.3906975      2.263948  
1 1 1 18  21 4  o 17.61539 1.775056  3.302327       0.5726964 4.564630       0.8085823 2.031668       0.8112544 7.406930       3.550113  
1 1 1 18  21 5  f 41.96084 1.109398  17.59229       0.9282252 16.83004       1.255337  18.51178       1.378742  -1.991940      2.218796  
1 1 1 18  21 6  o 53.44561 1.169813  28.47286       1.244555  26.79361       1.664859  30.59990       1.873732  -3.538639      2.339627  
1 1 1 18  21 7  o 61.82998 1.240099  38.04107       1.526314  42.28051       2.296046  34.68427       2.043097  6.112873       2.480198  
1 1 1 18  21 8  o 27.07882 1.290631  7.368578       0.6986649 7.412854       0.9753179 7.321911       1.001318  0.1712914      2.581263  
1 1 1 18  21 9  o 103.5110 1.700255  107.8047       3.514268  112.3302       5.150325  103.8621       4.807245  4.029907       3.400511  
1 1 1 18  21 10 o 39.27485 1.162424  15.50843       0.9117020 16.01674       1.269021  14.96621       1.310670  1.342491       2.324847  
1 1 1 18  21 11 f 61.79901 1.250253  38.10680       1.539761  41.78612       2.297093  35.10478       2.074918  5.375839       2.500505  
1 1 1 18  21 12 o 48.69495 1.190342  23.82042       1.159136  23.97973       1.630197  23.65751       1.648487  0.3332863      2.380683  
1 1 1 18  21 13 o 49.19877 1.181439  24.20610       1.159466  26.73505       1.701302  22.01275       1.584398  4.783096       2.362878  
1 1 1 18  21 14 f 26.33755 1.388527  7.044289       0.7235999 7.524898       0.9769474 6.460194       1.077003  2.038059       2.777055  
1 1 1 18  21 15 o 71.05714 1.342501  50.79955       1.907419  52.37859       2.725139  49.28297       2.670680  2.168945       2.685003  
1 1 1 18  21 16 o 41.41014 1.216363  16.99508       0.9990467 15.36953       1.313615  19.22529       1.538652  -4.619186      2.432727  
1 1 1 18  21 17 o 60.48228 1.592600  37.20438       1.793808  37.68816       2.180157  36.19046       3.156183  1.444744       3.185199  
1 1 1 18  21 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  21 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  21 20 f 27.43891 2.197057  0.000000       0.000000  ?              ?         7.604309       1.205697  ?              ?         
1 1 1 18  21 21 o 45.37867 1.237927  20.75537       1.121750  21.30678       1.556872  20.16006       1.617663  1.275070       2.475854  
1 1 1 18  21 22 o 50.82870 1.242324  25.94779       1.260442  28.32532       1.834220  23.82055       1.734986  4.410686       2.484647  
1 1 1 18  21 23 o 31.06758 1.381949  9.756451       0.8557059 9.912029       1.168183  9.576318       1.256993  0.5618172      2.763899  
1 1 1 18  21 24 o 23.53218 1.735668  5.801651       0.7875915 7.200765       1.082865  4.230269       1.147596  6.330708       3.471335  
1 1 1 18  21 25 o 24.75064 1.564804  6.225938       0.7715775 6.611208       1.068985  5.806931       1.114808  1.637712       3.129608  
1 1 1 18  21 26 o 44.59237 1.285948  20.05293       1.146075  19.77537       1.587088  20.35538       1.656745  -0.6330643     2.571897  
1 1 1 18  21 27 o 21.53543 2.065017  4.738584       0.8775331 4.816281       1.360395  4.683216       1.148402  0.2217731      4.130034  
1 1 1 18  21 28 o 38.22724 0.6922530 14.62139       0.5252096 14.92779       0.7971119 14.38632       0.6981955 0.6935272      1.384506  
1 1 1 18  21 29 o 17.59945 0.6317168 3.107732       0.2218372 3.145288       0.3045409 3.065275       0.3237939 0.2300129      1.263434  
1 1 1 18  21 30 o 53.44077 0.8777632 28.47153       0.9269837 30.13047       1.442319  27.30401       1.209980  2.598541       1.755526  
1 1 1 18  21 31 o 24.19864 0.6840897 5.844194       0.3297293 5.561949       0.4428801 6.195207       0.4938953 -1.300106      1.368179  
1 1 1 18  21 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  21 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  22 0  o 46.37868 1.129429  21.55614       1.046115  21.15864       1.435821  22.00588       1.527270  -0.9040489     2.258858  
1 1 1 18  22 1  o 33.67609 1.177900  11.28295       0.7824574 14.17406       1.163404  8.895091       1.057312  7.826345       2.355800  
1 1 1 18  22 2  o 34.67319 1.160454  12.03624       0.8033226 11.58518       1.097273  12.55725       1.179295  -1.392612      2.320909  
1 1 1 18  22 3  o 45.54450 1.141799  20.80843       1.038047  22.62351       1.488336  19.08918       1.448514  3.875572       2.283599  
1 1 1 18  22 4  o 15.86466 1.873431  2.514650       0.5754309 2.144875       0.7473648 3.053007       0.9017760 -3.047530      3.746862  
1 1 1 18  22 5  o 23.69013 1.448362  5.629964       0.6850948 5.355054       0.9364683 5.946511       1.004887  -1.238001      2.896724  
1 1 1 18  22 6  o 26.16541 1.351941  6.915127       0.7003490 8.129616       0.9987023 5.739999       0.9823853 4.564072       2.703881  
1 1 1 18  22 7  o 52.88148 1.206209  27.96672       1.272937  30.42221       1.869769  25.84544       1.737868  4.310413       2.412417  
1 1 1 18  22 8  o 80.70039 1.436363  65.12981       2.309151  70.15858       3.458660  61.08551       3.101690  5.565109       2.872725  
1 1 1 18  22 9  o 27.64110 1.381939  7.699439       0.7626925 7.992865       1.062501  7.387519       1.095474  1.100191       2.763877  
1 1 1 18  22 10 o 42.83380 1.206413  18.41198       1.032017  19.85782       1.486702  17.06734       1.433723  3.249817       2.412827  
1 1 1 18  22 11 o 48.20620 1.194595  23.35519       1.151502  23.93271       1.630284  22.78023       1.626660  1.194836       2.389190  
1 1 1 18  22 12 o 21.38706 1.647820  4.546014       0.6936001 3.530217       0.9248681 5.851601       1.048526  -5.401447      3.295639  
1 1 1 18  22 13 o 29.82108 1.351454  8.960481       0.8035349 9.045753       1.097051  8.861785       1.180244  0.3232651      2.702909  
1 1 1 18  22 14 o 31.54346 1.331255  9.870392       0.8323715 8.961143       1.091732  11.13275       1.286373  -3.407188      2.662509  
1 1 1 18  22 15 o 73.10008 1.380675  53.76460       2.016451  52.47207       2.776987  55.20621       2.932770  -1.840721      2.761349  
1 1 1 18  22 16 o 8.983362 2.449349  0.5579966      0.6141085 0.5670559      0.7952771 0.5446159      0.9665118 -0.4918203     4.898698  
1 1 1 18  22 17 o 47.66656 1.225433  22.87797       1.166884  23.24537       1.619584  22.48138       1.682671  0.8126678      2.450867  
1 1 1 18  22 18 o 58.98737 1.284304  35.03114       1.514705  34.88543       2.114541  35.18470       2.170799  -0.2430000     2.568609  
1 1 1 18  22 19 o 18.22507 2.018993  3.318730       0.7002723 2.422954       0.9114936 4.609039       1.093958  -6.176847      4.037986  
1 1 1 18  22 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  22 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  22 22 o 8.787498 3.701675  0.000000       0.000000  ?              ?         0.1397393      1.110553  ?              ?         
1 1 1 18  22 23 o 21.21192 2.097570  4.530643       0.8801435 5.071712       1.373291  4.153474       1.146582  2.078321       4.195140  
1 1 1 18  22 24 f 41.78776 1.506234  16.95851       1.212631  20.34854       2.074374  15.19863       1.494606  5.994125       3.012467  
1 1 1 18  22 25 o 19.66164 4.487793  0.000000       0.000000  ?              ?         4.231504       1.726550  ?              ?         
1 1 1 18  22 26 o 29.46281 3.310679  0.000000       0.000000  ?              ?         8.962738       1.950838  ?              ?         
1 1 1 18  22 27 f 10.84929 4.673214  0.000000       0.000000  ?              ?         0.6330422E-01  1.839432  ?              ?         
1 1 1 18  22 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  22 29 o 9.325929 0.8800639 0.8483254      0.1481047 0.4726762      0.1901364 1.427911       0.2361742 -5.208618      1.760128  
1 1 1 18  22 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  22 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  22 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  23 0  o 25.16682 1.383083  6.382461       0.6947418 6.698515       0.9696538 6.049065       0.9958984 1.294100       2.766167  
1 1 1 18  23 1  o 43.08728 1.161154  18.57551       0.9968866 20.98038       1.453178  16.43774       1.370107  5.261253       2.322307  
1 1 1 18  23 2  o 14.50704 2.065301  2.132977       0.5937072 1.082000       0.7916574 3.483860       0.8975314 -8.151761      4.130603  
1 1 1 18  23 3  o 81.53239 1.441217  66.89753       2.349770  66.55762       3.291341  67.25086       3.355748  -0.4149399     2.882435  
1 1 1 18  23 4  f 52.68608 1.201558  27.63886       1.260255  31.40336       1.881686  24.57666       1.697111  6.453728       2.403116  
1 1 1 18  23 5  o 38.08484 1.174674  14.57587       0.8935429 14.69256       1.234888  14.44762       1.294543  0.3296509      2.349347  
1 1 1 18  23 6  o 105.3710 1.735994  112.1442       3.658182  111.6346       5.136707  112.6686       5.210995  -0.4754181     3.471987  
1 1 1 18  23 7  f 20.33075 1.677054  4.177392       0.6762003 4.204947       0.9017168 4.141985       1.022149  0.1793766      3.354109  
1 1 1 18  23 8  o 15.21668 2.116880  2.435143       0.6245390 2.674624       0.8343602 2.129992       0.9418373 2.085566       4.233761  
1 1 1 18  23 9  o 58.46325 1.247011  34.15932       1.451812  32.17892       1.946353  36.64317       2.179760  -3.780224      2.494023  
1 1 1 18  23 10 o 30.58669 1.349117  9.441397       0.8232515 9.854132       1.141974  8.994804       1.187890  1.412987       2.698235  
1 1 1 18  23 11 o 75.52205 1.399345  57.33886       2.109763  55.51708       2.881184  59.44499       3.097899  -2.559395      2.798689  
1 1 1 18  23 12 o 48.51189 1.235787  23.67010       1.198712  24.41026       1.705492  22.94749       1.685158  1.504200       2.471573  
1 1 1 18  23 13 o 15.80192 2.194746  2.665272       0.6678496 3.031261       0.8845026 2.179903       1.018592  2.992240       4.389492  
1 1 1 18  23 14 o 27.39609 1.425778  7.544035       0.7798486 6.992061       1.070898  8.167234       1.137894  -2.130880      2.851556  
1 1 1 18  23 15 o 14.88083 2.286587  2.184186       0.6780285 1.413059       0.8763390 3.334251       1.070213  -6.431302      4.573174  
1 1 1 18  23 16 o 17.16153 2.000207  3.002919       0.6676766 2.584760       0.8948793 3.527998       1.002781  -2.953321      4.000413  
1 1 1 18  23 17 o 51.35420 1.253961  26.55799       1.287309  26.36910       1.790313  26.76019       1.852329  -0.3680649     2.507921  
1 1 1 18  23 18 o 57.21420 1.278914  32.95148       1.461297  32.20063       2.004096  33.80387       2.135313  -1.371986      2.557827  
1 1 1 18  23 19 o 52.61064 1.281320  27.89665       1.345937  27.75904       1.848369  28.05197       1.963751  -0.2523613     2.562639  
1 1 1 18  23 20 o 55.97713 1.305929  31.60739       1.461537  31.83274       2.044560  31.37190       2.090041  0.4221535      2.611858  
1 1 1 18  23 21 o 41.79698 1.540865  17.77216       1.268235  17.14898       1.953935  18.22582       1.667126  -1.368347      3.081729  
1 1 1 18  23 22 o 62.58959 2.677092  39.94141       3.351161  39.94141       3.351161  ?              ?         ?              ?         
1 1 1 18  23 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  23 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  23 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  23 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  23 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  23 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  23 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  23 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  24 0  o 67.21694 1.304937  45.41692       1.753813  46.69657       2.513324  44.20246       2.448478  1.845169       2.609875  
1 1 1 18  24 1  o 28.19728 1.283930  8.002895       0.7232720 8.184481       1.006948  7.809360       1.039554  0.6702480      2.567859  
1 1 1 18  24 2  o 10.55691 2.293207  1.102829       0.5769925 1.685198       0.7779894 0.3909333      0.8601661 4.140471       4.586414  
1 1 1 18  24 3  f 62.66766 1.288403  39.30534       1.610666  42.57600       2.381793  36.54934       2.186383  4.776646       2.576806  
1 1 1 18  24 4  o 83.77782 1.488424  70.75461       2.493680  70.74124       3.501407  70.76836       3.552338  -0.6401062E-02 2.976849  
1 1 1 18  24 5  o 65.99419 1.313852  43.72878       1.732015  46.09921       2.525395  41.62354       2.379950  3.365753       2.627705  
1 1 1 18  24 6  o 49.28467 1.215026  24.31471       1.194034  23.06182       1.613961  25.82959       1.774697  -2.781719      2.430052  
1 1 1 18  24 7  o 19.70321 1.733320  3.924499       0.6825006 3.869350       0.9439368 3.984914       0.9879715 -0.2829075     3.466640  
1 1 1 18  24 8  f 34.99298 1.252192  12.28329       0.8746610 11.76720       1.192516  12.88419       1.286769  -1.579891      2.504384  
1 1 1 18  24 9  o 8.113727 2.358983  0.1686933      0.6177554 -0.1017785     0.8224015 0.5189136      0.9358228 -1.902979      4.717967  
1 1 1 18  24 10 f 67.90805 1.340763  46.39950       1.819121  45.35147       2.506261  47.56639       2.644558  -1.604164      2.681526  
1 1 1 18  24 11 o 12.53970 2.413017  1.670057       0.6338442 2.075200       0.8771676 1.227344       0.9169363 2.897104       4.826033  
1 1 1 18  24 12 o 59.17521 1.273240  35.24192       1.506104  34.91179       2.092396  35.59687       2.169608  -0.5643845     2.546479  
1 1 1 18  24 13 f 7.026670 2.197332  -0.3996314     0.6409556 0.1495939      0.8459354 -1.139946      0.9821322 1.579414       4.394663  
1 1 1 18  24 14 o 31.64602 1.400308  9.956246       0.8796877 8.670812       1.166839  11.64894       1.338984  -4.666166      2.800616  
1 1 1 18  24 15 o 40.81068 1.285356  16.81425       1.046916  17.25671       1.446517  16.32755       1.517132  1.153980       2.570713  
1 1 1 18  24 16 f 31.84285 1.397588  10.28986       0.8849448 10.88831       1.212375  9.607404       1.294677  2.031456       2.795176  
1 1 1 18  24 17 o 47.66351 1.269179  22.88179       1.208391  24.51166       1.734339  21.34407       1.684591  3.311729       2.538357  
1 1 1 18  24 18 f 22.91410 2.016740  5.349644       0.9149994 5.422848       1.399740  5.295023       1.209101  0.2102375      4.033481  
1 1 1 18  24 19 o 51.67570 1.908856  0.000000       0.000000  ?              ?         26.96081       1.972829  ?              ?         
1 1 1 18  24 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  24 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  24 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  24 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  24 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  24 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  24 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  24 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  24 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 0  o 68.72098 1.330328  47.23135       1.821713  51.31092       2.722394  43.92345       2.451439  5.326256       2.660657  
1 1 1 18  25 1  f 45.97913 1.196213  21.25290       1.099291  21.14907       1.525487  21.36506       1.585516  -0.2251396     2.392425  
1 1 1 18  25 2  f 64.31084 1.301995  41.11773       1.662273  37.58234       2.193782  45.88409       2.547235  -6.391617      2.603990  
1 1 1 18  25 3  o 12.92545 2.324104  1.724039       0.6119423 1.219559       0.8215398 2.352802       0.9171700 -3.983913      4.648208  
1 1 1 18  25 4  o 14.02720 2.304146  2.091508       0.6344946 2.182636       0.8785703 1.992169       0.9173043 0.6671972      4.608292  
1 1 1 18  25 5  o 13.83356 2.323822  2.027247       0.6339641 1.871590       0.8779812 2.196815       0.9163719 -1.115177      4.647643  
1 1 1 18  25 6  o 36.16004 1.285024  13.17587       0.9277347 14.10516       1.315148  12.25538       1.308905  2.556610       2.570048  
1 1 1 18  25 7  f 34.17155 1.371250  11.80374       0.9261792 14.16691       1.331490  9.588415       1.289165  6.690887       2.742500  
1 1 1 18  25 8  f 17.11428 1.992328  2.966580       0.6800745 2.839000       0.9214386 3.119229       1.007909  -0.7933216     3.984655  
1 1 1 18  25 9  f 92.21448 1.606945  85.93292       2.962857  87.85712       4.251294  84.11563       4.131498  1.999527       3.213889  
1 1 1 18  25 10 o 45.03905 1.258636  20.46347       1.131781  21.26948       1.576531  19.60632       1.625765  1.856194       2.517272  
1 1 1 18  25 11 o 56.73034 1.287903  32.27100       1.455192  30.73415       1.953937  34.18504       2.180569  -2.992565      2.575806  
1 1 1 18  25 12 o 24.05357 1.669754  5.864182       0.7993937 5.855217       1.078728  5.875104       1.190552  -0.8876801E-02 3.339508  
1 1 1 18  25 13 o 69.18056 1.382674  48.06020       1.905631  45.58834       2.561698  51.12292       2.851470  -3.929489      2.765347  
1 1 1 18  25 14 o 62.03168 1.330625  38.82208       1.650692  39.11656       2.326077  38.52333       2.342876  0.4821091      2.661250  
1 1 1 18  25 15 o 87.39586 1.909384  78.09596       3.181172  76.73162       5.352032  78.84131       3.955796  -1.676682      3.818769  
1 1 1 18  25 16 o 65.34889 1.962499  0.000000       0.000000  ?              ?         43.13531       2.564943  ?              ?         
1 1 1 18  25 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  25 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 0  o 34.58328 1.894062  0.000000       0.000000  ?              ?         12.04868       1.310058  ?              ?         
1 1 1 18  26 1  f 30.86852 1.396701  9.550453       0.8592210 8.530996       1.170059  10.74362       1.265828  -3.564396      2.793402  
1 1 1 18  26 2  o 31.24278 1.347387  9.767009       0.8376699 9.199488       1.118598  10.49162       1.263966  -2.039074      2.694775  
1 1 1 18  26 3  o 81.19397 1.478709  66.42309       2.399155  69.25046       3.482151  63.86804       3.310210  3.276665       2.957418  
1 1 1 18  26 4  o 62.28869 1.302970  39.06840       1.622825  40.24928       2.318596  37.93436       2.272151  1.848972       2.605941  
1 1 1 18  26 5  f 29.13987 1.412569  8.609690       0.8177928 9.678162       1.151538  7.522475       1.161594  3.701092       2.825138  
1 1 1 18  26 6  o 40.60445 1.316425  16.63059       1.067950  17.50636       1.510978  15.75637       1.509642  2.154636       2.632849  
1 1 1 18  26 7  o 50.79246 1.263134  25.90189       1.279208  24.85529       1.729738  27.16524       1.900432  -2.237148      2.526268  
1 1 1 18  26 8  o 84.31149 1.535445  71.90394       2.588336  71.58429       3.612952  72.24096       3.709893  -0.3634338     3.070891  
1 1 1 18  26 9  o 43.86845 1.310904  19.26285       1.144461  18.00916       1.528571  20.86216       1.726462  -3.206043      2.621807  
1 1 1 18  26 10 o 66.20264 1.707920  45.32011       2.170866  41.15687       3.515808  47.88540       2.759797  -5.305206      3.415839  
1 1 1 18  26 11 o 16.13869 3.556661  0.000000       0.000000  ?              ?         2.787024       1.117091  ?              ?         
1 1 1 18  26 12 o 17.10349 3.295778  0.000000       0.000000  ?              ?         3.099901       1.087155  ?              ?         
1 1 1 18  26 13 o 22.14609 3.411740  0.000000       0.000000  ?              ?         5.056068       1.511134  ?              ?         
1 1 1 18  26 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  26 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 0  o 53.49268 1.797159  28.83690       1.922697  28.83690       1.922697  ?              ?         ?              ?         
1 1 1 18  27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 3  o 52.90652 3.098073  0.000000       0.000000  ?              ?         28.65929       3.278165  ?              ?         
1 1 1 18  27 4  o 23.15826 1.745443  5.431223       0.8068538 4.979211       1.113852  5.930273       1.170372  -2.036026      3.490885  
1 1 1 18  27 5  o 56.85838 1.653640  33.13960       1.792416  31.49710       2.989803  34.06115       2.239491  -2.469952      3.307281  
1 1 1 18  27 6  o 63.85221 1.897268  41.51964       2.420921  41.12836       3.484895  41.88459       3.365617  -0.6322060     3.794537  
1 1 1 18  27 7  o 60.99379 1.927467  37.91463       2.349235  36.00706       3.313164  39.84344       3.331553  -3.138557      3.854934  
1 1 1 18  27 8  o 59.40721 2.650245  0.000000       0.000000  ?              ?         35.93304       3.148872  ?              ?         
1 1 1 18  27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  27 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 0  o 10.23110 4.174690  0.4777930      1.352028  0.4777930      1.352028  ?              ?         ?              ?         
1 1 1 18  28 1  o 12.48940 4.626125  1.346800       1.533245  1.346800       1.533245  ?              ?         ?              ?         
1 1 1 18  28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  28 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  29 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  30 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  31 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  31 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  31 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  31 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  31 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  31 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  31 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 18  31 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  0  0  o 53.55216 0.9758979 28.72722       1.043465  29.47400       1.492976  28.01407       1.458977  -0.000000      0.000000  
1 1 1 19  0  1  o 80.19555 1.296781  64.42533       2.077405  65.29111       2.951167  63.57495       2.924799  -0.000000      0.000000  
1 1 1 19  0  2  o 125.5537 1.909012  157.9368       4.788611  158.8170       6.802058  157.0719       6.742570  -0.000000      0.000000  
1 1 1 19  0  3  o 22.25850 0.8804187 4.999358       0.3891932 4.937790       0.5411208 5.065339       0.5601786 -0.000000      0.000000  
1 1 1 19  0  4  o 87.81020 1.389950  77.24470       2.438291  77.59254       3.457273  76.90047       3.439326  -0.000000      0.000000  
1 1 1 19  0  5  o 134.4754 2.034042  181.2093       5.464983  181.0090       7.717301  181.4108       7.740057  -0.000000      0.000000  
1 1 1 19  0  6  o 244.3269 3.619519  599.1018       17.66893  596.2482       24.85543  602.0168       25.12196  -0.000000      0.000000  
1 1 1 19  0  7  f 177.8591 2.657430  317.1675       9.443007  315.0342       13.26743  319.3578       13.44316  -0.000000      0.000000  
1 1 1 19  0  8  f 19.78505 0.9581623 4.000237       0.3723674 4.421114       0.5164282 3.544463       0.5374123 -0.000000      0.000000  
1 1 1 19  0  9  o 31.26122 0.8393543 9.780543       0.5216416 9.371912       0.7062389 10.27110       0.7738076 -0.000000      0.000000  
1 1 1 19  0  10 o 169.8303 2.542558  289.1927       8.626027  286.3477       12.06875  292.1640       12.33365  -0.000000      0.000000  
1 1 1 19  0  11 o 104.9887 1.624934  110.4600       3.408344  110.5742       4.827255  110.3465       4.813030  -0.000000      0.000000  
1 1 1 19  0  12 o 93.45058 1.471567  87.51566       2.747330  87.37119       3.878484  87.66116       3.892174  -0.000000      0.000000  
1 1 1 19  0  13 o 134.8296 2.042853  182.2856       5.503107  182.0416       7.776553  182.5303       7.788598  -0.000000      0.000000  
1 1 1 19  0  14 o 48.71888 0.9258649 23.78980       0.9006107 24.08511       1.284757  23.50448       1.262838  -0.000000      0.000000  
1 1 1 19  0  15 o 17.07079 1.032776  2.976856       0.3475212 2.905385       0.4833581 3.053333       0.5000028 -0.000000      0.000000  
1 1 1 19  0  16 o 25.69092 0.8606451 6.635030       0.4388372 7.348905       0.6344920 5.980386       0.6076001 -0.000000      0.000000  
1 1 1 19  0  17 f 222.2189 3.310231  496.9802       14.69526  501.6628       20.99610  492.4837       20.57478  -0.000000      0.000000  
1 1 1 19  0  18 o 37.56927 0.8538393 13.98132       0.6356124 15.78143       0.9713535 12.63338       0.8405508 -0.000000      0.000000  
1 1 1 19  0  19 o 205.0851 3.061867  423.5448       12.54580  421.1198       17.63871  426.0278       17.84801  -0.000000      0.000000  
1 1 1 19  0  20 f 46.19600 0.9086216 21.30715       0.8355657 22.59392       1.241423  20.24140       1.129787  -0.000000      0.000000  
1 1 1 19  0  21 f 54.85957 0.9973743 29.92031       1.086142  32.45069       1.649549  27.98357       1.443135  -0.000000      0.000000  
1 1 1 19  0  22 o 42.00849 0.8845716 17.69670       0.7411996 17.89276       1.071272  17.51666       1.026584  -0.000000      0.000000  
1 1 1 19  0  23 o 76.92832 1.261582  59.30345       1.937882  57.83866       2.692980  60.87658       2.790796  -0.000000      0.000000  
1 1 1 19  0  24 o 36.21089 0.8574927 13.16539       0.6190054 13.13876       0.8925838 13.19008       0.8591830 -0.000000      0.000000  
1 1 1 19  0  25 o 28.61195 0.8583184 8.237130       0.4891136 8.201287       0.6992397 8.271470       0.6844206 -0.000000      0.000000  
1 1 1 19  0  26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  0  27 o 52.06469 1.896785  27.26830       1.969389  27.26830       1.969389  27.26830       1.969389  -0.000000      0.000000  
1 1 1 19  0  28 o 69.05766 1.175079  47.61950       1.614659  50.39528       2.414183  45.37284       2.171926  -0.000000      0.000000  
1 1 1 19  0  29 o 36.11085 0.8800013 13.08906       0.6327103 13.26653       0.9262236 12.93379       0.8663493 -0.000000      0.000000  
1 1 1 19  0  30 o 26.48773 0.9035906 6.865382       0.4690959 8.462479       0.7434809 5.809087       0.6046397 -0.000000      0.000000  
1 1 1 19  0  31 o 7.693060 2.058508  0.7655209      0.3130948 1.148058       0.4883076 0.4984609      0.4080008 -0.000000      0.000000  
1 1 1 19  0  32 o 4.426643 1.925063  0.1759601      0.3175029 0.1469156      0.5060585 0.1948150      0.4077375 -0.000000      0.000000  
1 1 1 19  0  33 o 104.1162 1.640385  108.9793       3.409684  106.2659       4.716397  111.9501       4.935076  -0.000000      0.000000  
1 1 1 19  0  34 o 8.233782 2.143389  0.9460615      0.3357149 0.7503260      0.5466446 1.064591       0.4253868 -0.000000      0.000000  
1 1 1 19  0  35 o 39.77261 0.9248584 15.79957       0.7295196 16.74748       1.105505  15.06838       0.9709377 -0.000000      0.000000  
1 1 1 19  0  36 o 14.53448 1.340091  2.215201       0.3706285 2.128153       0.5742866 2.277337       0.4851995 -0.000000      0.000000  
1 1 1 19  0  37 o 27.31085 0.9722673 7.386285       0.5222642 8.528926       0.8168694 6.596288       0.6792203 -0.000000      0.000000  
1 1 1 19  0  38 o 66.96821 1.662133  45.08407       2.223160  45.08407       2.223160  45.08407       2.223160  -0.000000      0.000000  
1 1 1 19  0  39 o 14.05837 1.692263  2.041749       0.4104661 3.055336       0.6674458 1.425250       0.5205377 -0.000000      0.000000  
1 1 1 19  0  40 o 25.31276 1.045659  6.543498       0.5197061 6.077485       0.7772553 6.920312       0.6989207 -0.000000      0.000000  
1 1 1 19  0  41 o 46.62434 1.492249  21.87462       1.388370  21.87462       1.388370  21.87462       1.388370  -0.000000      0.000000  
1 1 1 19  0  42 o 2.333339 1.721402  -1.099841      0.4774907 -1.099841      0.4774907 -1.099841      0.4774907 -0.000000      0.000000  
1 1 1 19  0  43 o 12.29194 2.054555  1.832776       0.4186347 1.435164       0.6895254 2.064906       0.5268503 -0.000000      0.000000  
1 1 1 19  0  44 f 6.069527 2.173852  0.5188242      0.3854978 -0.2699609E-01 0.6407801 0.8284290      0.4826008 -0.000000      0.000000  
1 1 1 19  0  45 o 12.09015 2.189339  1.767659       0.4502465 1.588853       0.7034667 1.891734       0.5859975 -0.000000      0.000000  
1 1 1 19  1  0  o 98.72636 1.528463  97.53264       3.017944  97.08741       4.253272  97.98412       4.282917  -0.4536667     3.056926  
1 1 1 19  1  1  o 100.7203 1.556497  101.5156       3.135270  101.8872       4.458878  101.1521       4.409420  0.3640900      3.112993  
1 1 1 19  1  2  o 250.8703 3.196064  635.2962       15.28598  618.0121       25.68763  644.7722       19.02016  -5.560913      6.392128  
1 1 1 19  1  3  f 219.7021 2.299965  483.4215       10.10489  487.7473       14.42670  479.2554       14.15805  1.925735       4.599929  
1 1 1 19  1  4  o 96.13613 1.063224  91.88723       2.034332  98.00874       3.064489  87.06409       2.720152  5.688065       2.126449  
1 1 1 19  1  5  o 172.5494 1.818717  297.9863       6.274967  294.5519       8.763887  301.5992       8.988668  -2.037247      3.637434  
1 1 1 19  1  6  o 10.41255 1.004335  1.087558       0.2083197 0.9762456      0.2947483 1.198659       0.2944688 -1.068009      2.008669  
1 1 1 19  1  7  f 68.09271 0.8028651 46.32892       1.092595  47.61879       1.582235  45.15323       1.510580  1.809647       1.605730  
1 1 1 19  1  8  o 101.0626 1.108824  102.1727       2.240963  101.0792       3.140722  103.3069       3.198468  -1.101181      2.217647  
1 1 1 19  1  9  o 181.9726 1.915645  331.5261       6.968993  326.4191       9.689741  336.9985       10.03037  -2.896484      3.831289  
1 1 1 19  1  10 o 119.9474 1.292138  143.9745       3.099546  145.0068       4.415534  142.9717       4.351997  0.8469696      2.584275  
1 1 1 19  1  11 o 127.1306 1.363782  160.9468       3.452945  153.2830       4.634674  170.5074       5.176539  -6.760498      2.727564  
1 1 1 19  1  12 o 76.06924 0.8742118 57.88390       1.329892  58.45805       1.896400  57.32832       1.865483  0.7419968      1.748424  
1 1 1 19  1  13 o 35.01105 0.5907435 12.11237       0.4111297 13.94490       0.6212571 10.68452       0.5483876 4.655228       1.181487  
1 1 1 19  1  14 f 147.6209 1.569888  217.6237       4.622896  209.4519       6.272262  227.3422       6.840107  -6.036896      3.139777  
1 1 1 19  1  15 f 115.7030 1.254146  134.0151       2.901638  132.6036       4.057284  135.4928       4.151406  -1.245110      2.508292  
1 1 1 19  1  16 o 74.93411 0.9335130 56.29639       1.395589  51.83566       1.976445  60.73208       1.970888  -5.936333      1.867026  
1 1 1 19  1  17 o 36.20101 0.5922670 13.08390       0.4283393 12.56967       0.5890802 13.66080       0.6239491 -1.506348      1.184534  
1 1 1 19  1  18 o 120.1625 1.297406  144.5467       3.116179  141.8211       4.319388  147.5051       4.500045  -2.356285      2.594812  
1 1 1 19  1  19 o 26.41114 0.5972816 6.954165       0.3149131 6.570621       0.4297959 7.398748       0.4627349 -1.566904      1.194563  
1 1 1 19  1  20 o 38.37480 0.6022949 14.72725       0.4621664 15.07952       0.6612370 14.39079       0.6462254 0.8969650      1.204590  
1 1 1 19  1  21 o 54.24186 0.6992683 29.32777       0.7567851 31.07224       1.118500  27.85487       1.027760  2.962681       1.398537  
1 1 1 19  1  22 o 24.29008 0.6090808 5.886386       0.2952054 6.483555       0.4292074 5.350284       0.4066707 2.332067       1.218162  
1 1 1 19  1  23 o 20.34586 0.6601359 4.120892       0.2648718 3.241224       0.3604294 5.153738       0.3905518 -4.698929      1.320272  
1 1 1 19  1  24 o 35.04053 0.8050138 12.34266       0.5533038 12.02471       0.8662426 12.56177       0.7191157 -0.7733498     1.610028  
1 1 1 19  1  25 o 59.79420 1.065352  35.83411       1.273958  35.41522       1.803154  36.25159       1.800147  -0.6995964     2.130704  
1 1 1 19  1  26 o 47.94184 0.6642969 23.00046       0.6368752 22.76948       0.8922908 23.24033       0.9093052 -0.4902725     1.328594  
1 1 1 19  1  27 o 60.24360 0.9219764 36.70560       1.057823  37.52851       1.317264  35.21121       1.775115  1.955692       1.843953  
1 1 1 19  1  28 o 15.36370 1.162425  2.456790       0.3437887 2.991757       0.4658009 1.816698       0.5095162 3.828306       2.324850  
1 1 1 19  1  29 o 49.85970 0.8307089 24.37285       0.7732089 26.37875       1.390795  23.47553       0.9302126 2.875732       1.661418  
1 1 1 19  1  30 f 36.36257 0.6246253 13.15413       0.4528261 14.47126       0.6720256 12.05877       0.6128439 3.313416       1.249251  
1 1 1 19  1  31 o 30.08193 0.6265876 9.060522       0.3769600 9.158274       0.5327779 8.962534       0.5334266 0.3253860      1.253175  
1 1 1 19  1  32 o 40.12655 0.6438602 16.06947       0.5158283 17.12927       0.7564903 15.14853       0.7051911 2.464226       1.287720  
1 1 1 19  1  33 o 37.18687 0.6357597 13.81199       0.4721787 14.58858       0.6901187 13.12848       0.6474452 1.959713       1.271519  
1 1 1 19  1  34 o 61.38314 0.7777178 37.76112       0.9546980 38.16603       1.360784  37.36863       1.339756  0.6473160      1.555436  
1 1 1 19  1  35 o 30.35660 0.6433086 9.230201       0.3905632 9.182514       0.5499510 9.278724       0.5547601 -0.1580238     1.286617  
1 1 1 19  1  36 o 24.07543 0.6996714 5.777666       0.3353817 6.611213       0.4924951 5.056840       0.4579856 3.224586       1.399343  
1 1 1 19  1  37 o 17.41558 0.9480491 3.055772       0.3225999 2.997459       0.5117394 3.094229       0.4155762 -0.2926788     1.896098  
1 1 1 19  1  38 o 75.87876 0.9089391 57.80543       1.379265  58.35526       1.966362  57.27290       1.935162  0.7082214      1.817878  
1 1 1 19  1  39 o 21.32529 0.8094369 4.469341       0.3413714 3.711608       0.4495302 5.501595       0.5246794 -4.185993      1.618874  
1 1 1 19  1  40 o 24.38353 1.021265  6.072106       0.4801534 5.611006       0.7747927 6.359608       0.6117974 -1.567015      2.042529  
1 1 1 19  1  41 o 12.68703 1.393834  1.457110       0.3215934 0.8519605      0.3917632 2.707426       0.5631219 -7.394484      2.787669  
1 1 1 19  1  42 o 15.24477 1.171849  2.395618       0.3430049 2.553071       0.4371636 2.143442       0.5532480 1.373101       2.343698  
1 1 1 19  1  43 o 29.57734 0.8723204 8.733696       0.5105355 9.174673       0.7892361 8.416400       0.6694689 1.257919       1.744641  
1 1 1 19  1  44 o 23.16703 0.7843331 5.394983       0.3627744 5.007278       0.5113137 5.787971       0.5147849 -1.684237      1.568666  
1 1 1 19  1  45 f 21.13777 0.9740620 4.506972       0.3993640 4.537035       0.5074382 4.458046       0.6473434 0.2200241      1.948124  
1 1 1 19  2  0  o 140.4015 1.493916  197.2323       4.194549  198.8393       5.982543  195.6786       5.882692  1.124069       2.987831  
1 1 1 19  2  1  o 173.1232 2.247011  296.9869       7.221060  291.7679       8.681523  308.7043       13.00821  -4.789001      4.494023  
1 1 1 19  2  2  o 34.07272 0.7761040 11.56975       0.5278168 10.65528       0.7236676 12.60915       0.7715196 -2.866798      1.552208  
1 1 1 19  2  3  o 46.07743 0.8754323 21.19258       0.8055075 21.99442       1.179514  20.49180       1.102682  1.629784       1.750865  
1 1 1 19  2  4  o 103.0546 1.585655  105.7992       3.256258  100.9011       4.385211  111.8195       4.861640  -5.288620      3.171310  
1 1 1 19  2  5  o 105.9018 1.248749  112.0051       2.612398  113.5193       4.035095  110.9123       3.427741  1.221680       2.497499  
1 1 1 19  2  6  o 66.46850 0.9149829 43.56425       1.204750  39.89140       1.576679  48.71735       1.867566  -6.635742      1.829966  
1 1 1 19  2  7  o 188.0633 2.807508  354.6904       10.55720  359.1764       15.13173  350.4357       14.73639  2.308197       5.615015  
1 1 1 19  2  8  o 59.15727 0.7299277 34.33127       0.8528305 30.98015       1.104761  39.27337       1.341620  -7.006802      1.459855  
1 1 1 19  2  9  o 120.5261 1.297681  145.3747       3.128055  145.7757       4.435891  144.9781       4.411686  0.3303909      2.595362  
1 1 1 19  2  10 o 131.4084 1.405833  172.0562       3.680890  164.3083       4.954551  181.6006       5.499055  -6.566528      2.811666  
1 1 1 19  2  11 o 76.14572 0.8782834 57.99706       1.337310  57.56082       1.870767  58.45293       1.912404  -0.5850906     1.756567  
1 1 1 19  2  12 o 126.0057 1.353821  158.3126       3.400598  151.5445       4.591242  166.5379       5.061406  -5.935715      2.707643  
1 1 1 19  2  13 o 32.98244 0.5901971 10.79076       0.3877065 9.769114       0.5215524 12.05264       0.5796351 -3.460926      1.180394  
1 1 1 19  2  14 o 31.28073 0.6475340 9.616645       0.3978528 10.66907       0.6373287 8.944661       0.5092684 2.754187       1.295068  
1 1 1 19  2  15 o 126.2717 1.357869  158.7157       3.411858  150.6118       4.558387  169.0391       5.144865  -7.273087      2.715739  
1 1 1 19  2  16 o 26.36542 0.5932944 6.949646       0.3125935 7.354594       0.4475373 6.563885       0.4368060 1.499311       1.186589  
1 1 1 19  2  17 o 86.57042 0.9748272 74.99276       1.687456  75.95901       2.417058  74.07398       2.356924  1.086716       1.949654  
1 1 1 19  2  18 o 45.54685 0.6362131 20.75407       0.5795316 20.98478       0.8212160 20.52518       0.8179567 0.5044403      1.272426  
1 1 1 19  2  19 o 81.19778 0.9252005 65.47841       1.493573  61.49998       1.985719  70.66140       2.266480  -5.629982      1.850401  
1 1 1 19  2  20 o 65.21394 0.7850253 42.27808       1.019364  45.53414       1.532041  39.69149       1.365488  4.473587       1.570051  
1 1 1 19  2  21 o 64.97024 0.7867769 41.66174       1.012752  46.48225       1.568545  38.21548       1.326247  6.352589       1.573554  
1 1 1 19  2  22 o 17.71595 0.9681342 3.419239       0.3006535 2.536845       0.5410689 3.813390       0.3616207 -3.611369      1.936268  
1 1 1 19  2  23 o 67.61310 1.155157  45.80476       1.561968  45.12077       2.195506  46.50577       2.222656  -1.022484      2.310314  
1 1 1 19  2  24 o 70.43506 0.8975455 49.83514       1.260238  52.43326       1.744563  46.99975       1.822481  3.861336       1.795091  
1 1 1 19  2  25 o 27.72396 0.6050162 7.689031       0.3353522 7.981211       0.4787401 7.407540       0.4699025 1.034241       1.210032  
1 1 1 19  2  26 o 46.17484 0.6543805 21.33176       0.6042028 21.73599       0.8648106 20.94630       0.8444952 0.8541794      1.308761  
1 1 1 19  2  27 o 27.11750 0.6165806 7.347675       0.3340487 6.900597       0.4628088 7.833903       0.4826479 -1.719887      1.233161  
1 1 1 19  2  28 o 29.72545 0.6216850 8.758832       0.3672089 10.29434       0.5476068 7.504211       0.4949933 4.690369       1.243370  
1 1 1 19  2  29 o 35.24068 0.8142700 12.57800       0.5655076 13.41474       0.7543179 11.50419       0.8545191 2.718441       1.628540  
1 1 1 19  2  30 o 51.84312 0.9777956 26.95713       1.013664  27.45919       1.430914  26.45136       1.436175  0.9725266      1.955591  
1 1 1 19  2  31 o 41.45534 0.6495166 17.09245       0.5367061 18.84067       0.7981058 15.64918       0.7251608 3.844116       1.299033  
1 1 1 19  2  32 o 22.23468 0.6781996 4.957486       0.3010180 5.312811       0.4258975 4.602808       0.4255101 1.596581       1.356399  
1 1 1 19  2  33 o 18.36953 0.7615453 3.367315       0.2777533 2.835910       0.3802704 3.975039       0.4066612 -3.098009      1.523091  
1 1 1 19  2  34 f 60.91748 0.7744365 37.19392       0.9435214 36.99792       1.330168  37.39240       1.338553  -0.3228951     1.548873  
1 1 1 19  2  35 o 20.44071 0.7362878 4.197610       0.2979623 4.986775       0.4283196 3.457579       0.4147715 3.739149       1.472576  
1 1 1 19  2  36 f 26.80153 0.7737932 7.102326       0.4037153 7.622131       0.6605943 6.792445       0.5100488 1.530642       1.547586  
1 1 1 19  2  37 o 20.42742 0.7557740 4.191004       0.3080960 4.493454       0.4346259 3.885508       0.4368094 1.488338       1.511548  
1 1 1 19  2  38 f 20.43244 0.7688969 4.185747       0.3130605 4.682120       0.4498818 3.719711       0.4359173 2.353214       1.537794  
1 1 1 19  2  39 o 46.28372 1.014239  21.32297       0.9305015 23.06572       1.434068  20.05572       1.222876  3.213085       2.028477  
1 1 1 19  2  40 o 29.43692 0.6985962 8.648648       0.4102339 7.882889       0.5602387 9.533900       0.6023660 -2.798546      1.397192  
1 1 1 19  2  41 o 27.18090 0.7204388 7.410352       0.3916230 7.305934       0.5524157 7.515851       0.5552726 -0.3857193     1.440878  
1 1 1 19  2  42 o 47.97008 0.7246647 23.03994       0.6944391 22.12489       0.9544084 24.06941       1.012318  -2.017513      1.449329  
1 1 1 19  2  43 o 36.40780 0.7786936 13.38265       0.5587972 13.78446       0.7369035 12.83897       0.8571816 1.319935       1.557387  
1 1 1 19  2  44 o 12.03138 1.511963  1.560380       0.3428968 0.9174773      0.4865587 2.194742       0.4833162 -5.425499      3.023926  
1 1 1 19  2  45 o 35.82713 0.9683201 12.73686       0.6830727 11.94736       0.8803309 13.93134       1.082829  -2.720379      1.936640  
1 1 1 19  3  0  o 85.27798 0.9557325 72.01826       1.617885  78.52163       2.477967  67.18599       2.136000  6.642799       1.911465  
1 1 1 19  3  1  o 124.5325 1.335521  155.1323       3.325671  153.4279       4.648584  156.9192       4.759806  -1.400139      2.671042  
1 1 1 19  3  2  o 100.6883 1.103816  101.4170       2.222772  101.8593       3.156948  100.9821       3.130172  0.4353104      2.207633  
1 1 1 19  3  3  o 134.4210 1.434333  180.7525       3.855051  183.1748       5.529204  178.4612       5.377685  1.750839       2.868665  
1 1 1 19  3  4  o 216.8122 2.767792  474.1245       11.44347  480.9155       14.24051  461.7455       19.22662  4.582550       5.535583  
1 1 1 19  3  5  o 91.44264 1.422920  83.63840       2.601243  84.97290       3.743299  82.39220       3.617359  1.408844       2.845841  
1 1 1 19  3  6  o 63.11777 1.055373  39.85191       1.332195  39.39204       1.874084  40.32166       1.894093  -0.7361336     2.110746  
1 1 1 19  3  7  o 98.57207 1.308331  98.45002       2.490630  92.35886       4.023764  102.2333       3.171134  -5.024956      2.616662  
1 1 1 19  3  8  o 71.22093 0.8307994 50.73995       1.183390  50.77507       1.669529  50.70448       1.677633  0.4965973E-01  1.661599  
1 1 1 19  3  9  o 145.6427 1.548879  212.2299       4.509596  216.2582       6.497102  208.4850       6.264331  2.662689       3.097759  
1 1 1 19  3  10 o 75.77342 1.133622  57.48726       1.682754  57.28351       2.660570  57.62310       2.172479  -0.2338638     2.267244  
1 1 1 19  3  11 o 38.59499 0.6017540 14.76340       0.4622668 13.49286       0.6182365 16.37444       0.6961681 -3.732151      1.203508  
1 1 1 19  3  12 o 123.2600 1.325718  152.0619       3.267535  153.8884       4.676374  150.3195       4.567534  1.444534       2.651435  
1 1 1 19  3  13 o 20.95977 0.6262754 4.405470       0.2618401 4.615914       0.3633493 4.178123       0.3776608 1.044579       1.252551  
1 1 1 19  3  14 o 72.15608 0.8401111 51.91990       1.209447  49.74434       1.642540  54.49631       1.787468  -3.289543      1.680222  
1 1 1 19  3  15 o 73.75443 0.8555706 54.10570       1.256698  57.87891       1.885656  51.09063       1.685602  4.596680       1.711141  
1 1 1 19  3  16 o 23.50759 0.6004297 5.524392       0.2821226 5.431936       0.3910094 5.624793       0.4074624 -0.4098721     1.200859  
1 1 1 19  3  17 o 49.08501 0.6575981 24.10264       0.6455421 23.98115       0.9084171 24.22658       0.9175199 -0.2497902     1.315196  
1 1 1 19  3  18 o 60.96677 0.7470884 37.09981       0.9094519 38.78049       1.333717  35.63916       1.243351  2.573540       1.494177  
1 1 1 19  3  19 o 102.5846 1.126311  105.4006       2.310776  105.8937       3.282974  104.9165       3.253094  0.4747772      2.252622  
1 1 1 19  3  20 f 22.89905 0.8305351 5.384011       0.3443615 4.924575       0.6269908 5.582464       0.4120775 -1.444530      1.661070  
1 1 1 19  3  21 o 82.90166 1.346917  68.71562       2.228693  71.74337       3.280963  66.12164       3.036866  3.374115       2.693833  
1 1 1 19  3  22 o 67.03630 0.9890607 45.54690       1.263417  46.86897       1.577096  43.17846       2.110881  2.780418       1.978121  
1 1 1 19  3  23 o 62.05503 0.7634979 38.21891       0.9423671 41.60292       1.426995  35.60173       1.254939  4.828011       1.526996  
1 1 1 19  3  24 o 29.60986 0.6020203 8.766877       0.3563879 8.491732       0.4966395 9.058981       0.5117157 -0.9573040     1.204041  
1 1 1 19  3  25 o 100.9353 1.117291  101.4798       2.244260  108.4485       3.383484  96.00524       2.998925  6.133812       2.234583  
1 1 1 19  3  26 o 38.78139 0.6203464 15.02386       0.4807110 15.77529       0.6977596 14.34500       0.6632116 1.842514       1.240693  
1 1 1 19  3  27 o 18.00955 0.7235070 3.200869       0.2575541 2.585447       0.3441387 3.984471       0.3883243 -3.881546      1.447014  
1 1 1 19  3  28 o 43.76186 0.6478621 19.14181       0.5666000 19.99523       0.8204734 18.36377       0.7833984 1.861923       1.295724  
1 1 1 19  3  29 o 21.61177 0.6697651 4.671334       0.2880082 5.345182       0.4162402 4.052393       0.3989218 2.989807       1.339530  
1 1 1 19  3  30 f 29.26733 0.7005572 8.685089       0.4029393 9.265480       0.5339350 7.917266       0.6141280 2.309107       1.401114  
1 1 1 19  3  31 o 32.76717 0.8455436 10.76159       0.5522835 10.76760       0.7512212 10.75452       0.8147328 0.2593231E-01  1.691087  
1 1 1 19  3  32 o 36.48554 0.7417222 13.23473       0.5200030 13.70198       0.8721963 12.97706       0.6477073 0.9734688      1.483444  
1 1 1 19  3  33 o 57.22996 0.7465641 32.82020       0.8545149 32.90573       1.209609  32.73500       1.207327  0.1489372      1.493128  
1 1 1 19  3  34 o 34.64887 0.6426484 12.00724       0.4449796 11.59822       0.6143623 12.45859       0.6453749 -1.238834      1.285297  
1 1 1 19  3  35 o 27.21032 0.6971892 7.426634       0.3788593 7.246703       0.5467789 7.592791       0.5254342 -0.6381035     1.394378  
1 1 1 19  3  36 o 29.13626 0.6688468 8.498381       0.3893645 9.049678       0.5587001 7.977770       0.5429278 1.837896       1.337694  
1 1 1 19  3  37 o 66.57387 0.9066533 44.16657       1.181714  46.07232       1.891550  42.94664       1.513393  2.289658       1.813307  
1 1 1 19  3  38 o 53.64154 1.068226  28.92479       1.144178  29.16333       1.669166  28.71336       1.571473  0.4010315      2.136451  
1 1 1 19  3  39 f 10.19418 1.342648  1.076989       0.2626202 1.024215       0.3539993 1.141585       0.3916502 -0.5500603     2.685295  
1 1 1 19  3  40 o 40.63761 0.6893420 16.53965       0.5599477 17.16232       0.8081700 15.96475       0.7765477 1.469166       1.378684  
1 1 1 19  3  41 o 46.09156 0.7098978 21.19120       0.6524892 19.75110       0.8827717 22.92540       0.9687241 -3.430504      1.419796  
1 1 1 19  3  42 f 7.166024 1.617232  0.4869603      0.2716880 0.2733258      0.3768989 0.7180518      0.3919955 -2.227065      3.234465  
1 1 1 19  3  43 o 5.969325 1.585689  0.2080945      0.2719939 -0.3352667E-01 0.3750787 0.4760765      0.3950097 -2.162389      3.171378  
1 1 1 19  3  44 f 29.55638 0.8182532 8.691481       0.4729097 8.386012       0.6033162 9.178246       0.7615915 -1.307642      1.636506  
1 1 1 19  3  45 o 11.68042 2.997444  0.000000       0.000000  ?              ?         1.460535       0.7036665 ?              ?         
1 1 1 19  4  0  o 171.9980 1.813954  296.1288       6.239857  295.1596       8.798491  297.1096       8.850718  -0.5658417     3.627909  
1 1 1 19  4  1  o 253.4262 2.647082  642.0321       13.38733  620.5216       18.22515  667.2396       19.72927  -9.172897      5.294164  
1 1 1 19  4  2  o 264.1831 2.756605  699.4595       14.56171  707.8312       20.85900  691.5011       20.33762  3.074219       5.513210  
1 1 1 19  4  3  o 95.97160 1.057219  91.62718       2.020481  86.97189       2.709635  97.45718       3.032296  -5.458672      2.114437  
1 1 1 19  4  4  o 172.6746 1.819504  298.3520       6.280820  303.5528       9.046343  293.5117       8.727097  2.900330       3.639008  
1 1 1 19  4  5  o 78.15513 0.8898405 60.81035       1.386062  64.45834       2.067476  57.83223       1.868037  4.236725       1.779681  
1 1 1 19  4  6  o 19.94287 0.6390170 3.919091       0.2434926 5.785953       0.3710729 2.507427       0.3226778 8.219367       1.278034  
1 1 1 19  4  7  o 121.2220 1.834431  146.9448       4.441926  151.3464       6.478597  143.0401       6.101972  3.415413       3.668862  
1 1 1 19  4  8  o 103.8993 1.593668  106.7427       3.279437  117.3903       5.082291  99.14660       4.292700  8.759224       3.187336  
1 1 1 19  4  9  o 54.74784 0.9460512 29.94545       1.034943  29.07546       1.426981  30.91095       1.503257  -1.675095      1.892102  
1 1 1 19  4  10 o 50.26736 0.6662803 25.16873       0.6681162 26.72568       0.9892808 23.86309       0.9059297 2.846302       1.332561  
1 1 1 19  4  11 o 34.90344 0.5774825 12.18866       0.4029905 12.49443       0.5682950 11.87938       0.5715483 0.8811150      1.154965  
1 1 1 19  4  12 o 66.70873 0.7918305 44.46947       1.055544  43.38898       1.456948  45.66315       1.531359  -1.703186      1.583661  
1 1 1 19  4  13 o 80.14382 1.308731  64.30918       2.097731  64.43552       2.969491  64.18332       2.963795  0.1571503      2.617461  
1 1 1 19  4  14 o 88.71015 0.9930413 78.71966       1.761239  80.15024       2.531813  77.37823       2.451658  1.560104       1.986083  
1 1 1 19  4  15 o 46.11615 0.6393658 21.22859       0.5888367 20.46146       0.8065370 22.10419       0.8616765 -1.779957      1.278732  
1 1 1 19  4  16 o 82.32060 0.9338310 67.78129       1.536733  66.53839       2.133738  69.12076       2.215082  -1.565910      1.867662  
1 1 1 19  4  17 o 50.98721 0.6710433 25.81794       0.6814638 28.16322       1.022052  23.94078       0.9143826 4.138027       1.342087  
1 1 1 19  4  18 o 78.97076 1.120124  62.48277       1.661150  62.38716       2.898941  62.52951       2.026925  -0.1312027     2.240249  
1 1 1 19  4  19 o 76.40495 1.267677  58.18521       1.929995  55.06041       2.597234  62.03839       2.884101  -4.549980      2.535354  
1 1 1 19  4  20 o 69.68045 1.024731  48.23519       1.325811  47.59472       1.595927  49.66171       2.381765  -1.445358      2.049462  
1 1 1 19  4  21 o 66.17099 0.7953681 43.75579       1.051416  42.41836       1.445721  45.25738       1.531870  -2.141685      1.590736  
1 1 1 19  4  22 o 35.09459 0.6097395 12.31562       0.4278038 12.80096       0.6129937 11.85477       0.5973226 1.347542       1.219479  
1 1 1 19  4  23 o 69.03445 0.8229365 47.60212       1.134511  49.62560       1.660965  45.83243       1.553320  2.742203       1.645873  
1 1 1 19  4  24 o 54.68284 0.7659190 30.03207       0.8346153 32.57750       1.170945  27.40341       1.189933  4.731953       1.531838  
1 1 1 19  4  25 o 63.51803 0.7782452 40.39209       0.9886239 40.16001       1.391717  40.62849       1.404623  -0.3680763     1.556490  
1 1 1 19  4  26 o 49.50435 0.6785318 24.23391       0.6671784 27.12582       1.019216  22.06559       0.8825397 5.104031       1.357064  
1 1 1 19  4  27 o 38.97946 0.6251444 15.18707       0.4870195 15.89925       0.7035683 14.53188       0.6748294 1.752480       1.250289  
1 1 1 19  4  28 o 35.37077 0.6228776 12.50738       0.4403545 12.01339       0.6103598 13.04364       0.6359379 -1.454933      1.245755  
1 1 1 19  4  29 o 19.09500 0.7025957 3.651782       0.2682779 3.681388       0.3769824 3.621403       0.3818694 0.1574173      1.405191  
1 1 1 19  4  30 o 19.67197 0.7291840 3.882948       0.2819719 4.876198       0.4098446 2.990256       0.3885445 4.791859       1.458368  
1 1 1 19  4  31 o 70.12547 0.8457400 49.23493       1.185210  50.59052       1.718329  48.00475       1.636914  1.835838       1.691480  
1 1 1 19  4  32 f 15.33839 1.104210  2.459793       0.3228331 2.782446       0.4169162 1.976627       0.5101863 2.639096       2.208421  
1 1 1 19  4  33 f 32.04121 0.7766865 10.05103       0.4891979 11.57025       0.7845260 9.084506       0.6257514 3.862541       1.553373  
1 1 1 19  4  34 o 78.64542 0.9256688 62.04259       1.455773  61.26643       2.037288  62.85238       2.080954  -1.002739      1.851338  
1 1 1 19  4  35 o 45.17579 0.6811961 20.44441       0.6154178 20.80769       0.8761659 20.09065       0.8646134 0.7924728      1.362392  
1 1 1 19  4  36 f 83.30649 1.273217  69.83952       2.072243  70.11366       3.307108  69.66230       2.658975  0.1450577      2.546435  
1 1 1 19  4  37 o 28.48337 0.8475587 8.477261       0.4529607 9.274904       0.5677525 7.080523       0.7512978 3.878006       1.695117  
1 1 1 19  4  38 f 37.75397 0.6661052 14.28258       0.5028633 14.16111       0.7030446 14.40983       0.7195552 -0.3274651     1.332210  
1 1 1 19  4  39 o 66.40141 0.8319672 44.24185       1.104742  44.87408       1.577414  43.63321       1.547692  0.9297867      1.663934  
1 1 1 19  4  40 o 35.00806 0.6774364 12.24051       0.4734092 11.44110       0.6466610 13.16376       0.6949472 -2.453865      1.354873  
1 1 1 19  4  41 o 15.75710 1.306793  2.363676       0.3738925 2.860394       0.7225554 2.182037       0.4369392 2.071098       2.613586  
1 1 1 19  4  42 o 30.72996 0.7045634 9.405509       0.4313817 8.431248       0.5841061 10.57451       0.6398259 -3.478586      1.409127  
1 1 1 19  4  43 o 12.16095 1.219064  1.489340       0.2940982 1.244409       0.4040762 1.765246       0.4288652 -2.134317      2.438127  
1 1 1 19  4  44 o 8.223735 1.618193  0.7060343      0.2875685 0.9598030      0.4003784 0.4356266      0.4132958 2.621738       3.236386  
1 1 1 19  4  45 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  5  0  o 152.2970 1.613541  232.0331       4.912908  235.7178       7.064761  228.5824       6.836654  2.338470       3.227083  
1 1 1 19  5  1  o 248.7347 2.597983  620.0476       12.92406  621.5128       18.32380  618.5973       18.23130  0.5832825      5.195966  
1 1 1 19  5  2  o 117.8238 1.269665  138.6808       2.988130  134.8120       4.103251  143.0492       4.360148  -3.491699      2.539330  
1 1 1 19  5  3  o 101.8651 1.113465  103.8063       2.268405  104.3522       3.222283  103.2700       3.193924  0.5307999      2.226930  
1 1 1 19  5  4  o 42.53439 0.6023527 18.03488       0.5115061 19.12639       0.7510584 17.09065       0.6985501 2.392624       1.204705  
1 1 1 19  5  5  o 71.82629 0.8321467 51.58021       1.194975  50.73763       1.663310  52.47902       1.717913  -1.211571      1.664293  
1 1 1 19  5  6  o 74.48284 0.8572855 55.42253       1.275892  57.11705       1.853243  53.89563       1.759196  2.161285       1.714571  
1 1 1 19  5  7  o 129.9832 1.391508  168.4306       3.605583  177.0837       5.366343  161.3097       4.868117  6.056595       2.783017  
1 1 1 19  5  8  o 213.8822 2.242253  458.3867       9.588752  464.7914       13.76137  452.3427       13.36826  2.895416       4.484505  
1 1 1 19  5  9  o 148.2009 1.905493  222.4608       5.440861  229.5269       6.891685  210.7699       8.864603  6.396622       3.810986  
1 1 1 19  5  10 o 113.0347 1.717721  127.8294       3.879207  124.6719       5.341906  131.3523       5.642481  -2.944313      3.435442  
1 1 1 19  5  11 o 79.80446 1.261357  63.72065       2.012547  64.91160       2.892722  62.60339       2.801797  1.443581       2.522715  
1 1 1 19  5  12 o 172.8302 2.236648  298.9859       7.267017  301.9316       12.68854  297.5480       8.864930  1.062363       4.473295  
1 1 1 19  5  13 o 102.5838 1.123624  105.1934       2.302876  108.3290       3.351057  102.3875       3.169997  2.890350       2.247248  
1 1 1 19  5  14 o 67.71547 0.8039115 45.21654       1.078068  50.56862       1.673394  41.41906       1.409564  6.749336       1.607823  
1 1 1 19  5  15 o 91.39376 1.458921  83.64445       2.665556  85.35065       3.839346  82.05674       3.703645  1.795456       2.917842  
1 1 1 19  5  16 f 96.28928 1.526610  92.62666       2.932701  97.08925       4.335151  88.86108       3.982221  4.253822       3.053219  
1 1 1 19  5  17 o 54.90424 1.032513  30.11024       1.132257  31.54921       1.654671  28.84315       1.552698  2.460144       2.065027  
1 1 1 19  5  18 o 48.98072 0.8387730 24.04560       0.7588901 24.09946       0.9130409 23.92524       1.364857  0.1943283      1.677546  
1 1 1 19  5  19 f 84.21061 0.9551721 70.99863       1.608710  71.07407       2.277547  70.92352       2.272580  0.8917236E-01  1.910344  
1 1 1 19  5  20 f 96.09569 1.066728  92.34902       2.047676  89.78160       2.813647  95.24007       2.985710  -2.831055      2.133456  
1 1 1 19  5  21 o 53.68068 0.7011808 28.71950       0.7509422 27.21374       1.019142  30.50813       1.110747  -3.065102      1.402362  
1 1 1 19  5  22 o 15.32980 0.7746114 2.390462       0.2321334 2.954416       0.3271336 1.818489       0.3294511 3.705058       1.549223  
1 1 1 19  5  23 o 42.07082 0.6295576 17.63612       0.5284231 16.65667       0.7172625 18.79875       0.7814645 -2.543358      1.259115  
1 1 1 19  5  24 o 40.46893 0.6276252 16.38980       0.5079750 16.54239       0.7195466 16.23820       0.7172292 0.3757286      1.255250  
1 1 1 19  5  25 o 19.02139 0.6966671 3.494672       0.2594308 2.679206       0.3355969 4.705689       0.4089686 -5.323292      1.393334  
1 1 1 19  5  26 o 34.88954 0.6154694 12.14640       0.4288205 12.93487       0.6270305 11.45360       0.5877600 2.120918       1.230939  
1 1 1 19  5  27 o 31.82174 0.6134250 10.10333       0.3896886 10.97983       0.5681525 9.324675       0.5355014 2.598967       1.226850  
1 1 1 19  5  28 o 44.57249 0.6540125 19.80713       0.5818038 21.33357       0.8559266 18.49610       0.7932349 3.179153       1.308025  
1 1 1 19  5  29 o 34.88846 0.6223854 12.15520       0.4337345 11.48943       0.5963742 12.90279       0.6319577 -2.023243      1.244771  
1 1 1 19  5  30 o 37.18189 0.6342264 13.80676       0.4710349 13.02778       0.6478030 14.68065       0.6861362 -2.220074      1.268453  
1 1 1 19  5  31 o 76.98016 0.9048432 59.39988       1.392791  58.50733       1.944861  60.33955       1.995523  -1.184700      1.809686  
1 1 1 19  5  32 f 37.10378 0.7121803 13.87341       0.5197279 14.27170       0.6816027 13.32017       0.8033160 1.293163       1.424361  
1 1 1 19  5  33 o 45.40574 0.8187584 20.58756       0.7026185 20.42087       0.8609401 20.91999       1.215809  -0.5108910     1.637517  
1 1 1 19  5  34 o 45.84192 0.9311756 21.09890       0.8532499 21.66965       1.198424  20.51216       1.215104  1.264656       1.862351  
1 1 1 19  5  35 o 51.55335 1.053166  26.51896       1.080166  28.40362       1.631676  25.04870       1.441170  3.224445       2.106331  
1 1 1 19  5  36 f 43.43076 0.6810969 18.81768       0.5902650 20.26268       0.8705577 17.58810       0.8030450 3.071808       1.362194  
1 1 1 19  5  37 o 44.82484 0.6875984 20.14059       0.6164008 20.24625       0.8689942 20.03360       0.8744763 0.2378616      1.375197  
1 1 1 19  5  38 o 30.00788 0.6796477 9.011760       0.4072832 9.737807       0.5875881 8.340356       0.5650440 2.325760       1.359295  
1 1 1 19  5  39 o 25.72151 0.7061747 6.625889       0.3629501 6.459657       0.5006093 6.810098       0.5269837 -0.6776791     1.412349  
1 1 1 19  5  40 o 28.74051 0.6897834 8.279783       0.3963667 8.183820       0.5523511 8.381661       0.5691192 -0.3418713     1.379567  
1 1 1 19  5  41 o 37.44358 0.6865346 13.96721       0.5123866 12.79323       0.6921368 15.39076       0.7621620 -3.457840      1.373069  
1 1 1 19  5  42 o 13.49681 1.808384  1.917964       0.4674374 1.765751       0.7301883 2.023654       0.6084512 -1.250428      3.616769  
1 1 1 19  5  43 o 42.64452 0.7125246 18.12030       0.6055518 16.55417       0.8172516 20.02694       0.9017258 -4.057083      1.425049  
1 1 1 19  5  44 o 7.573579 1.653290  0.5817880      0.2745920 0.5465792      0.3719135 0.6239815      0.4071356 -0.4621906     3.306581  
1 1 1 19  6  0  o 22.25757 0.5439115 4.960200       0.2417375 5.274965       0.3414928 4.644047       0.3422454 1.417316       1.087823  
1 1 1 19  6  1  o 168.4242 1.777098  283.9771       5.986121  283.7700       8.459120  284.1848       8.472200  -0.1228790     3.554195  
1 1 1 19  6  2  o 66.94812 0.7889224 44.83061       1.056337  44.89775       1.494177  44.76353       1.493595  0.1002426      1.577845  
1 1 1 19  6  3  f 152.4505 1.617505  232.2314       4.924441  239.8909       7.203806  225.5125       6.747035  4.705704       3.235010  
1 1 1 19  6  4  f 29.55623 0.5390512 8.650708       0.3170545 7.820043       0.4240047 9.704268       0.4775153 -3.187105      1.078102  
1 1 1 19  6  5  o 79.78595 0.9033638 63.31106       1.435126  59.99708       1.923296  67.47422       2.155673  -4.682495      1.806728  
1 1 1 19  6  6  o 97.79037 1.075834  95.29294       2.097584  100.4033       3.118454  91.07035       2.834674  4.767021       2.151669  
1 1 1 19  6  7  o 104.0991 1.135523  108.4207       2.363928  107.5994       3.316584  109.2689       3.370260  -0.8008881     2.271047  
1 1 1 19  6  8  o 151.7133 1.610101  229.9661       4.876490  238.5588       7.161770  222.5386       6.658494  5.264893       3.220202  
1 1 1 19  6  9  o 50.20773 0.6564279 25.20158       0.6588959 24.77976       0.9164284 25.65298       0.9480130 -0.8691750     1.312856  
1 1 1 19  6  10 o 75.48146 0.8676084 56.18688       1.296238  62.57378       2.016532  51.68951       1.692151  7.203590       1.735217  
1 1 1 19  6  11 o 141.2304 1.847646  198.1590       4.863502  195.1355       5.871013  204.7715       8.682523  -3.288498      3.695291  
1 1 1 19  6  12 o 34.90353 0.7251477 12.01508       0.5026119 13.90432       0.7655120 10.58355       0.6663592 4.755154       1.450295  
1 1 1 19  6  13 f 73.40619 1.668379  0.000000       0.000000  ?              ?         53.94829       2.449387  ?              ?         
1 1 1 19  6  14 o 46.50838 1.370018  0.000000       0.000000  ?              ?         21.64913       1.274346  ?              ?         
1 1 1 19  6  15 o 114.3472 1.772196  130.8924       4.046577  135.5600       5.925603  126.8135       5.539352  3.801163       3.544392  
1 1 1 19  6  16 o 129.4619 1.391216  167.9446       3.602079  167.2945       5.070812  168.6068       5.117731  -0.5043640     2.782432  
1 1 1 19  6  17 o 120.7904 1.864901  146.3588       4.501229  150.2664       6.533968  142.8293       6.209796  3.052353       3.729801  
1 1 1 19  6  18 o 53.04523 0.6886911 27.94654       0.7268852 26.21298       0.9700131 30.16669       1.097736  -3.722736      1.377382  
1 1 1 19  6  19 o 61.42819 0.7563149 37.31929       0.9222141 41.37689       1.413942  34.31525       1.216606  5.740734       1.512630  
1 1 1 19  6  20 o 74.54631 0.8680978 55.43021       1.291077  58.43593       1.909361  52.89826       1.752433  3.707222       1.736196  
1 1 1 19  6  21 o 28.70922 0.5949233 8.246679       0.3415099 8.494604       0.4847655 8.002398       0.4811902 0.8571129      1.189847  
1 1 1 19  6  22 o 56.98275 0.7294121 32.09404       0.8246881 35.70076       1.267530  29.44654       1.085976  5.480213       1.458824  
1 1 1 19  6  23 o 21.35246 0.6462676 4.581318       0.2748405 4.864557       0.3799965 4.270616       0.3979942 1.391554       1.292535  
1 1 1 19  6  24 o 49.81743 0.6780111 24.83860       0.6754931 25.23426       0.9594309 24.44970       0.9512052 0.7870445      1.356022  
1 1 1 19  6  25 o 10.52793 1.021838  1.110293       0.2138948 1.106552       0.2871298 1.114959       0.3206192 -0.3744411E-01 2.043675  
1 1 1 19  6  26 o 28.29628 0.6136385 8.020980       0.3469600 8.283758       0.4861765 7.748245       0.4953021 0.9467182      1.227277  
1 1 1 19  6  27 o 32.93649 0.6101798 10.83323       0.4014467 10.16553       0.5536204 11.57362       0.5829796 -2.135996      1.220360  
1 1 1 19  6  28 o 29.16388 0.6189842 8.512140       0.3609796 8.393228       0.5049057 8.636476       0.5162892 -0.4163437     1.237968  
1 1 1 19  6  29 o 26.97900 0.6377503 7.205064       0.3419097 6.225741       0.4584347 8.432655       0.5132643 -4.086397      1.275501  
1 1 1 19  6  30 o 55.26642 0.7313706 30.59212       0.8083495 30.33522       1.135110  30.85646       1.151423  -0.4702415     1.462741  
1 1 1 19  6  31 o 27.01918 0.8241434 7.125959       0.4390860 6.182150       0.5663405 8.548157       0.6952091 -4.365551      1.648287  
1 1 1 19  6  32 o 13.62626 0.9141197 1.857395       0.2483748 1.800798       0.3364097 1.925216       0.3682567 -0.4527369     1.828239  
1 1 1 19  6  33 o 27.13002 0.9678096 7.925856       0.4621345 6.201483       0.8403698 8.673382       0.5533097 -4.591135      1.935619  
1 1 1 19  6  34 o 51.54258 0.9535127 26.76806       0.9609805 27.17185       1.240487  26.16206       1.519689  1.017639       1.907025  
1 1 1 19  6  35 o 54.92914 1.008333  30.27690       1.106214  29.86477       1.520542  30.74030       1.612336  -0.7832298     2.016666  
1 1 1 19  6  36 o 37.20648 0.6981186 13.78378       0.5159299 14.62383       0.7853906 13.14609       0.6842844 1.974083       1.396237  
1 1 1 19  6  37 o 11.83202 1.115343  1.395211       0.2625093 1.220002       0.3534330 1.610801       0.3920517 -1.643866      2.230685  
1 1 1 19  6  38 o 24.65550 0.7177361 6.102925       0.3533208 6.490138       0.4984742 5.711972       0.5008767 1.578386       1.435472  
1 1 1 19  6  39 o 44.58353 0.6989599 19.89050       0.6225819 19.03030       0.8569623 20.85200       0.9060112 -2.036301      1.397920  
1 1 1 19  6  40 o 23.26224 0.7419583 5.419375       0.3444189 5.297621       0.4694121 5.561359       0.5069100 -0.5611496     1.483917  
1 1 1 19  6  41 o 7.650246 1.538212  0.5998282      0.2625238 0.8757380      0.3637454 0.2998636      0.3792704 2.941145       3.076423  
1 1 1 19  6  42 o 21.19682 0.8052702 4.469779       0.3388100 3.766358       0.4574508 5.324528       0.5042614 -3.666880      1.610540  
1 1 1 19  6  43 o 22.79678 0.8406489 5.101126       0.3766499 4.610301       0.4815784 5.874353       0.6044450 -2.746426      1.681298  
1 1 1 19  6  44 o 42.79391 0.8691276 18.40904       0.7437813 18.40943       1.059941  18.40866       1.043972  -0.2506256E-02 1.738255  
1 1 1 19  7  0  o 181.8456 1.915448  330.5204       6.955713  341.4858       10.17893  320.9145       9.527115  5.640167       3.830896  
1 1 1 19  7  1  f 107.1979 1.166654  114.9068       2.500042  112.9501       3.471329  117.0154       3.603565  -1.894112      2.333307  
1 1 1 19  7  2  o 108.4183 1.181747  117.3921       2.558748  121.5200       3.742187  113.7678       3.506529  3.571098       2.363494  
1 1 1 19  7  3  o 101.6061 1.115667  102.8914       2.260257  98.46490       3.055970  108.2372       3.358356  -4.803810      2.231335  
1 1 1 19  7  4  o 47.50175 0.6333728 22.54814       0.6014588 23.34838       0.8656573 21.80129       0.8362854 1.628159       1.266746  
1 1 1 19  7  5  o 118.9591 1.285493  141.5980       3.058047  140.2742       4.284445  142.9726       4.366175  -1.132446      2.570987  
1 1 1 19  7  6  o 46.36485 0.6207618 21.44482       0.5747487 20.51042       0.7866199 22.51495       0.8418196 -2.161102      1.241524  
1 1 1 19  7  7  f 42.29718 0.5937980 17.78846       0.5007988 19.36931       0.7436976 16.47686       0.6774075 3.418461       1.187596  
1 1 1 19  7  8  o 29.38810 0.5307739 8.589391       0.3109635 8.044727       0.4196776 9.252459       0.4630523 -2.054317      1.061548  
1 1 1 19  7  9  o 141.4239 1.507032  199.8542       4.254866  207.2991       6.247352  193.4132       5.810905  4.894516       3.014064  
1 1 1 19  7  10 o 76.94937 0.8804258 59.01791       1.351028  56.46498       1.828376  62.08829       2.005116  -3.650162      1.760852  
1 1 1 19  7  11 o 111.0390 1.577585  122.4551       3.387279  127.6650       5.605544  119.4586       4.251224  3.638908       3.155169  
1 1 1 19  7  12 o 84.55080 1.376880  71.41626       2.323628  68.84816       3.167027  74.41050       3.419712  -3.279007      2.753761  
1 1 1 19  7  13 o 73.51513 1.069630  54.66811       1.482875  55.85442       1.826760  52.37613       2.539154  2.390030       2.139259  
1 1 1 19  7  14 o 81.67130 1.282417  66.76524       2.093820  68.18104       3.015812  65.44770       2.909279  1.668732       2.564833  
1 1 1 19  7  15 o 80.48184 1.268043  64.83226       2.040017  66.33947       2.943667  63.43946       2.829745  1.796356       2.536087  
1 1 1 19  7  16 o 93.08603 1.269204  84.74512       2.171793  92.05363       4.021909  81.73685       2.580334  5.465187       2.538408  
1 1 1 19  7  17 o 55.68951 0.7067231 31.02164       0.7869882 31.62282       1.126543  30.44860       1.099875  1.053406       1.413446  
1 1 1 19  7  18 o 68.75612 0.8158764 47.28865       1.121559  48.37026       1.611692  46.27306       1.561734  1.523186       1.631753  
1 1 1 19  7  19 o 116.5059 1.561103  136.2242       3.418500  136.2564       4.174654  136.1585       5.955797  0.1799164      3.122205  
1 1 1 19  7  20 o 32.29124 0.5870841 10.32977       0.3771892 11.83624       0.5648857 9.117662       0.5066980 4.207642       1.174168  
1 1 1 19  7  21 o 50.97740 0.6787044 26.00267       0.6919145 26.47289       0.9840727 25.54294       0.9730502 0.9116974      1.357409  
1 1 1 19  7  22 o 77.27776 0.8974587 59.62870       1.384236  62.42403       2.038400  57.23645       1.885714  3.348038       1.794917  
1 1 1 19  7  23 o 67.23380 0.8115646 44.81140       1.083879  49.06812       1.654429  41.61058       1.434633  5.533554       1.623129  
1 1 1 19  7  24 o 52.51305 0.6978742 27.60274       0.7329124 27.58944       1.031162  27.61633       1.041911  -0.2507401E-01 1.395748  
1 1 1 19  7  25 o 75.70819 0.8865480 57.17168       1.338345  60.49030       1.988658  54.42430       1.809426  3.993721       1.773096  
1 1 1 19  7  26 o 69.81561 0.8358389 48.81858       1.167021  49.30133       1.661630  48.34865       1.639428  0.6807098      1.671678  
1 1 1 19  7  27 o 16.86427 0.7585014 2.876476       0.2532790 3.154609       0.3465726 2.557649       0.3710612 1.771613       1.517003  
1 1 1 19  7  28 o 43.14116 0.6512914 18.63429       0.5619354 18.68659       0.7979512 18.58285       0.7914816 0.1198006      1.302583  
1 1 1 19  7  29 o 76.29796 0.8976209 58.29959       1.368837  56.86787       1.894518  59.86338       1.979965  -1.954811      1.795242  
1 1 1 19  7  30 f 20.24115 0.7184094 4.052489       0.2887764 3.480281       0.3860977 4.779007       0.4350544 -3.204062      1.436819  
1 1 1 19  7  31 o 26.04367 0.7641035 6.784523       0.3851114 6.845195       0.6311952 6.748542       0.4860669 0.1717587      1.528207  
1 1 1 19  7  32 o 34.87270 1.012046  12.16798       0.7011017 10.31875       0.9627526 14.25590       1.023003  -5.636890      2.024092  
1 1 1 19  7  33 o 8.046688 1.451374  0.6846139      0.2340250 0.7454252      0.3105404 0.6046839      0.3560254 0.7835193      2.902748  
1 1 1 19  7  34 o 63.14289 0.7967831 39.75639       1.002527  37.55717       1.349118  42.46829       1.498136  -3.871536      1.593566  
1 1 1 19  7  35 f 49.40791 0.7046925 24.44183       0.6960059 25.22368       1.003510  23.71711       0.9661545 1.520542       1.409385  
1 1 1 19  7  36 o 22.30447 0.9043744 4.994122       0.3993433 4.989566       0.5284221 5.000189       0.6097910 -0.1106834E-01 1.808749  
1 1 1 19  7  37 o 31.64305 0.7497932 10.11161       0.4677896 9.584737       0.7141840 10.50749       0.6190722 -1.470566      1.499586  
1 1 1 19  7  38 o 15.40116 0.8973767 2.338359       0.2737391 1.975624       0.3614433 2.826273       0.4191964 -2.752031      1.794753  
1 1 1 19  7  39 o 9.632494 1.378328  0.9685298      0.2583772 1.046538       0.3442736 0.8679268      0.3909646 1.113341       2.756657  
1 1 1 19  7  40 o 53.77141 0.7553282 29.00970       0.8122088 29.41322       1.159368  28.62079       1.138198  0.7333488      1.510656  
1 1 1 19  7  41 o 30.67967 0.6965261 9.441839       0.4264540 10.28194       0.6094053 8.635650       0.5969809 2.681118       1.393052  
1 1 1 19  7  42 o 32.62104 0.6953436 10.66553       0.4531727 10.46980       0.6243262 10.88350       0.6588309 -0.6284409     1.390687  
1 1 1 19  7  43 o 23.04462 1.129838  5.506471       0.4587989 5.040009       0.8716840 5.685212       0.5395880 -1.489910      2.259675  
1 1 1 19  7  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  8  0  o 143.5832 2.180820  206.5481       6.261889  205.3404       8.780203  207.7983       8.933073  -0.8510284     4.361640  
1 1 1 19  8  1  o 95.83395 1.524502  91.60899       2.914335  96.26155       4.314715  87.70558       3.952102  4.455498       3.049005  
1 1 1 19  8  2  o 226.5743 3.371922  515.8021       15.27587  522.6887       21.90383  509.2809       21.31491  2.927490       6.743844  
1 1 1 19  8  3  o 113.0281 1.753166  127.8277       3.960630  130.7619       5.725591  125.1354       5.484535  2.482124       3.506332  
1 1 1 19  8  4  o 42.23188 0.9587059 17.84496       0.8096581 18.14313       1.143848  17.54556       1.146214  0.7075310      1.917412  
1 1 1 19  8  5  o 44.97273 0.9725307 19.99369       0.8688743 18.19239       1.150310  22.38670       1.325850  -4.660099      1.945061  
1 1 1 19  8  6  o 22.11954 1.107835  4.883195       0.4889448 4.719736       0.6648756 5.075704       0.7215397 -0.8034039     2.215670  
1 1 1 19  8  7  o 69.18642 1.195305  47.90136       1.653814  48.46399       2.359240  47.35779       2.318972  0.7984009      2.390610  
1 1 1 19  8  8  o 146.5617 2.224073  215.3448       6.515627  219.6565       9.405362  211.3662       9.034783  2.809402       4.448145  
1 1 1 19  8  9  o 54.79943 1.047633  30.04767       1.147898  29.84603       1.602970  30.25991       1.644575  -0.3765640     2.095266  
1 1 1 19  8  10 o 178.1566 2.679039  318.7453       9.535947  327.4094       13.86815  310.9747       13.13354  4.559265       5.358079  
1 1 1 19  8  11 o 155.8129 1.655287  242.4673       5.142605  232.8347       6.955534  254.0822       7.637725  -6.784348      3.310573  
1 1 1 19  8  12 o 61.57518 0.7482006 37.54394       0.9154991 41.37793       1.394658  34.64094       1.213571  5.466118       1.496401  
1 1 1 19  8  13 o 104.5683 1.143741  109.0100       2.383646  104.1736       3.213715  114.9242       3.553862  -5.127243      2.287483  
1 1 1 19  8  14 o 24.31833 0.5410169 5.920358       0.2628155 6.028122       0.3648525 5.804137       0.3788999 0.4608021      1.082034  
1 1 1 19  8  15 o 78.36189 0.8979782 60.96449       1.398699  57.23645       1.857756  65.84335       2.125237  -5.481705      1.795956  
1 1 1 19  8  16 o 79.42603 1.252552  63.20949       1.989690  63.48425       2.820023  62.93712       2.807710  0.3437347      2.505103  
1 1 1 19  8  17 o 66.01860 1.077776  43.58261       1.421633  45.14484       2.068005  42.18284       1.957528  2.237770       2.155553  
1 1 1 19  8  18 o 71.20757 1.009100  50.15377       1.350878  52.59370       2.380256  48.99448       1.640710  2.490593       2.018199  
1 1 1 19  8  19 o 17.14977 0.6389593 2.924268       0.2173154 2.807680       0.2868206 3.081401       0.3329802 -0.7964687     1.277919  
1 1 1 19  8  20 o 68.38040 1.032249  45.85518       1.286382  49.21228       2.412001  44.52075       1.520708  3.380554       2.064498  
1 1 1 19  8  21 o 55.71663 0.7160659 31.06662       0.7978582 31.68276       1.134451  30.46358       1.122330  1.093559       1.432132  
1 1 1 19  8  22 o 86.10911 0.9790669 74.18819       1.684583  76.43082       2.446918  72.16755       2.322655  2.467270       1.958134  
1 1 1 19  8  23 o 139.0271 1.494184  194.0720       4.153437  196.8500       5.960696  191.4501       5.790686  1.924240       2.988368  
1 1 1 19  8  24 o 52.81381 0.7029312 27.89993       0.7421645 28.68818       1.069037  27.16658       1.031146  1.438534       1.405862  
1 1 1 19  8  25 o 9.228676 1.195002  0.9318185      0.2054863 1.145727       0.2682207 0.6278848      0.3197183 2.930660       2.390004  
1 1 1 19  8  26 o 95.40240 1.070692  91.25561       2.042474  90.19495       2.852528  92.37154       2.925857  -1.133728      2.141385  
1 1 1 19  8  27 o 80.40707 0.9344980 64.72858       1.501498  66.77666       2.179617  62.87883       2.071392  2.413673       1.868996  
1 1 1 19  8  28 o 34.65106 0.8034678 12.02549       0.5557960 13.04373       0.7960913 11.05721       0.7763102 2.864792       1.606936  
1 1 1 19  8  29 f 25.60429 0.6475195 6.578101       0.3304750 7.209853       0.4679221 5.949365       0.4668043 2.461395       1.295039  
1 1 1 19  8  30 o 9.239161 2.040821  0.7886719      0.4278574 1.234633       0.6632428 0.4708008      0.5599504 3.232355       4.081642  
1 1 1 19  8  31 o 45.93949 0.8563049 21.49721       0.7373148 22.16704       0.9054151 20.17852       1.270379  2.204258       1.712610  
1 1 1 19  8  32 o 25.38633 0.6627863 6.454519       0.3363796 6.710676       0.4790465 6.205370       0.4724474 0.9946384      1.325573  
1 1 1 19  8  33 o 27.55069 0.6594290 7.623676       0.3623181 8.185361       0.5083238 7.043630       0.5165659 2.072832       1.318858  
1 1 1 19  8  34 o 60.48551 0.7801827 36.66612       0.9435020 37.13590       1.354453  36.22329       1.315046  0.7498550      1.560365  
1 1 1 19  8  35 o 35.81811 0.6562905 12.85736       0.4700505 13.12031       0.6637521 12.59282       0.6657560 0.7365608      1.312581  
1 1 1 19  8  36 o 24.63048 0.6907456 6.082098       0.3399783 6.107988       0.4717253 6.054115       0.4904237 0.1116371      1.381491  
1 1 1 19  8  37 o 28.72556 0.7929125 8.431422       0.4385573 8.907497       0.5591873 7.670652       0.7068810 2.173449       1.585825  
1 1 1 19  8  38 o 17.75123 0.9344409 3.171193       0.3295532 2.716864       0.4601775 3.649512       0.4721708 -2.624834      1.868882  
1 1 1 19  8  39 f 15.90349 0.9105249 2.504718       0.2875075 2.216316       0.3805258 2.888364       0.4388843 -2.102126      1.821050  
1 1 1 19  8  40 o 47.00880 0.7130550 22.08045       0.6690226 23.67998       0.9845571 20.70830       0.9118968 3.149197       1.426110  
1 1 1 19  8  41 o 32.05261 0.6999858 10.31952       0.4479775 10.96234       0.6318048 9.669609       0.6352810 2.017132       1.399972  
1 1 1 19  8  42 o 38.90971 1.106986  15.31715       0.8586376 14.39228       1.239150  16.17138       1.190882  -2.299347      2.213971  
1 1 1 19  8  43 o 10.01252 1.483927  1.041043       0.2859133 0.9339221      0.3788790 1.182732       0.4357430 -1.198035      2.967855  
1 1 1 19  9  0  o 133.9587 2.044949  179.7574       5.477875  178.1225       7.664916  181.4641       7.831542  -1.241791      4.089898  
1 1 1 19  9  1  o 98.29143 1.559097  96.71811       3.064873  97.23938       4.348548  96.20358       4.320360  0.5261765      3.118194  
1 1 1 19  9  2  o 140.0095 2.131991  196.1369       5.962226  202.3961       8.702774  190.6006       8.184769  4.193634       4.263983  
1 1 1 19  9  3  o 125.6589 1.930400  158.0757       4.848449  161.6254       7.006803  154.8146       6.715927  2.699913       3.860800  
1 1 1 19  9  4  o 88.63744 1.434982  78.58313       2.542118  76.80907       3.517122  80.52372       3.678502  -2.090889      2.869964  
1 1 1 19  9  5  o 35.33178 0.9511988 12.47257       0.6715797 12.07725       0.9266623 12.90992       0.9746695 -1.177395      1.902398  
1 1 1 19  9  6  o 80.44788 1.332867  64.64520       2.140912  62.41358       2.926629  67.21415       3.140038  -2.977272      2.665735  
1 1 1 19  9  7  o 83.57628 1.376050  69.93604       2.300028  69.65025       3.237324  70.22736       3.268360  -0.3442612     2.752099  
1 1 1 19  9  8  o 133.0193 2.036955  177.4254       5.417942  179.6349       7.758776  175.3228       7.569001  1.610977       4.073910  
1 1 1 19  9  9  o 45.39499 0.9947153 20.60528       0.9025069 20.15445       1.249206  21.09753       1.305317  -1.037170      1.989431  
1 1 1 19  9  10 o 142.4492 2.170609  203.7545       6.184018  203.6499       8.735820  203.8595       8.755259  -0.7226563E-01 4.341218  
1 1 1 19  9  11 f 71.05799 1.222865  50.37473       1.733480  48.05545       2.351673  53.13440       2.565249  -3.565170      2.445731  
1 1 1 19  9  12 f 88.02917 1.430035  77.48381       2.513750  74.93456       3.440454  80.40321       3.681761  -3.094345      2.860070  
1 1 1 19  9  13 o 84.55254 0.9536569 71.37304       1.609507  68.75925       2.194474  74.41593       2.367764  -3.338936      1.907314  
1 1 1 19  9  14 o 56.28102 0.7060539 31.42393       0.7901551 29.31715       1.050867  34.16439       1.198533  -4.301872      1.412108  
1 1 1 19  9  15 o 27.05490 0.5387635 7.287158       0.2907813 6.820093       0.3945464 7.842499       0.4302193 -1.888638      1.077527  
1 1 1 19  9  16 o 104.5934 1.147600  109.3166       2.395955  113.7496       3.523384  105.5033       3.267814  3.928429       2.295201  
1 1 1 19  9  17 o 106.2062 1.164007  112.9978       2.472203  112.1509       3.464813  113.8761       3.528503  -0.8084946     2.328013  
1 1 1 19  9  18 o 24.45061 0.6557663 5.847938       0.3169954 5.057402       0.4127669 6.984543       0.4949361 -3.938038      1.311533  
1 1 1 19  9  19 o 51.67408 0.8986313 26.63323       0.9260449 25.46707       1.253408  28.03490       1.374156  -2.478691      1.797263  
1 1 1 19  9  20 o 97.81149 1.306565  96.75936       2.461998  92.81786       4.025817  99.11416       3.111711  -3.287666      2.613129  
1 1 1 19  9  21 o 23.38662 0.5981873 5.490239       0.2782586 6.176747       0.3946808 4.811768       0.3923637 2.918198       1.196375  
1 1 1 19  9  22 f 48.15567 0.6645690 23.18639       0.6397247 24.01577       0.9224941 22.41803       0.8879112 1.657318       1.329138  
1 1 1 19  9  23 o 32.17233 0.5940384 10.21058       0.3793653 9.135522       0.5008488 11.65748       0.5810471 -3.915977      1.188077  
1 1 1 19  9  24 o 62.20701 0.7746736 38.72609       0.9632772 38.04937       1.336155  39.45847       1.389999  -1.129185      1.549347  
1 1 1 19  9  25 o 64.26657 0.7919734 41.00028       1.011521  38.30647       1.342080  44.54299       1.539085  -4.838459      1.583947  
1 1 1 19  9  26 o 63.89133 0.7925330 40.87844       1.012360  40.43399       1.409990  41.35135       1.454432  -0.7144814     1.585066  
1 1 1 19  9  27 o 46.76907 0.6841576 21.68601       0.6353782 20.19234       0.8398705 23.68485       0.9715686 -3.724365      1.368315  
1 1 1 19  9  28 o 61.91680 1.060974  38.20497       1.271574  39.51353       2.094969  37.44168       1.600011  1.616055       2.121949  
1 1 1 19  9  29 o 34.81528 0.9173056 12.49991       0.6034065 13.32409       0.7546202 11.03860       1.004821  3.308674       1.834611  
1 1 1 19  9  30 o 25.38667 0.6555438 6.440080       0.3297963 7.703822       0.4806688 5.315979       0.4533351 4.700682       1.311088  
1 1 1 19  9  31 o 20.36871 0.7029207 4.140296       0.2856733 3.926412       0.3879986 4.393508       0.4221668 -1.143358      1.405841  
1 1 1 19  9  32 o 45.56524 0.6784768 20.66533       0.6162604 22.62230       0.9170088 19.05360       0.8321984 3.907990       1.356954  
1 1 1 19  9  33 o 43.60971 0.6744472 19.04466       0.5881047 19.50612       0.8428913 18.60691       0.8209536 1.028809       1.348894  
1 1 1 19  9  34 o 50.26237 0.7120226 25.26446       0.7149161 26.50125       1.042234  24.16538       0.9824964 2.317009       1.424045  
1 1 1 19  9  35 o 32.89088 0.6548852 10.84238       0.4307385 10.98575       0.6071857 10.69713       0.6111460 0.4391975      1.309770  
1 1 1 19  9  36 f 45.65843 0.6936576 20.86065       0.6328426 21.78318       0.9191852 20.02930       0.8725817 1.914940       1.387315  
1 1 1 19  9  37 o 11.23521 1.136610  1.255395       0.2536924 1.138238       0.3359505 1.410855       0.3869895 -1.202428      2.273219  
1 1 1 19  9  38 o 39.59082 0.7994496 15.71367       0.6097158 15.66726       0.7650658 15.79444       1.009377  -0.1220589     1.598899  
1 1 1 19  9  39 o 52.56536 0.9882782 27.71133       1.035819  26.76322       1.401836  28.85147       1.537249  -1.957191      1.976556  
1 1 1 19  9  40 o 5.170169 1.522295  0.6313547E-01  0.2574537 0.6014353E-01  0.3362618 0.6737386E-01  0.4002228 -0.4292197     3.044589  
1 1 1 19  9  41 o 42.29299 1.104417  18.01478       0.9318092 18.26186       1.371478  17.80293       1.269928  0.5162773      2.208834  
1 1 1 19  9  42 o 34.91285 0.6959419 12.23324       0.4857900 12.32582       0.6799627 12.13672       0.6942826 0.2733192      1.391884  
1 1 1 19  9  43 o 41.71394 1.162807  17.95454       0.9327851 16.01556       1.497270  19.18443       1.192470  -3.885094      2.325614  
1 1 1 19  10 0  o 58.10175 1.092390  33.77859       1.269318  33.78513       1.785400  33.77190       1.804934  0.1176834E-01  2.184779  
1 1 1 19  10 1  o 65.03699 1.163376  42.31487       1.512823  41.77402       2.109710  42.88734       2.170495  -0.8545685     2.326751  
1 1 1 19  10 2  o 121.2572 1.874694  147.2764       4.545164  149.5089       6.520666  145.1666       6.338853  1.783630       3.749389  
1 1 1 19  10 3  o 96.37516 1.539242  92.58883       2.956942  98.05809       4.405993  88.10676       3.988589  5.148972       3.078485  
1 1 1 19  10 4  o 85.38800 1.398049  72.99215       2.387361  73.85426       3.401025  72.15472       3.351985  0.9936447      2.796098  
1 1 1 19  10 5  o 32.19717 0.9763070 10.33066       0.6269621 11.46679       0.9172343 9.334336       0.8589493 3.310211       1.952614  
1 1 1 19  10 6  o 129.2223 1.984228  167.3558       5.125772  170.4893       7.384983  164.4429       7.120143  2.326309       3.968456  
1 1 1 19  10 7  o 135.9110 2.078970  184.8889       5.640036  192.1900       8.294033  178.6087       7.692339  4.962128       4.157940  
1 1 1 19  10 8  o 66.64556 1.179698  43.47400       1.549015  39.04094       1.992288  50.25010       2.463150  -8.392868      2.359397  
1 1 1 19  10 9  f 146.2342 2.227276  214.7890       6.513570  216.5639       9.282099  213.0669       9.142643  1.185684       4.454552  
1 1 1 19  10 10 o 60.12340 1.114718  35.56891       1.326051  32.14575       1.727730  40.47607       2.068605  -6.914906      2.229435  
1 1 1 19  10 11 f 88.86728 1.447345  79.12291       2.572011  78.38070       3.598760  79.89785       3.677255  -0.8496399     2.894691  
1 1 1 19  10 12 o 113.6954 1.777751  129.3568       4.033564  124.6450       5.489677  134.8850       5.946286  -4.471832      3.555503  
1 1 1 19  10 13 o 97.22661 1.557315  94.76809       3.027146  93.31608       4.213215  96.31750       4.352231  -1.534142      3.114629  
1 1 1 19  10 14 o 107.6823 1.697408  116.2524       3.652375  113.4933       5.039182  119.3061       5.301255  -2.678970      3.394815  
1 1 1 19  10 15 o 55.15761 0.6961395 30.39781       0.7672589 31.50277       1.114338  29.40178       1.057990  1.902676       1.392279  
1 1 1 19  10 16 o 55.26049 0.7000694 30.55878       0.7737128 30.67157       1.092690  30.44536       1.095706  0.2047729      1.400139  
1 1 1 19  10 17 o 70.14575 0.8281007 48.50552       1.149360  54.32007       1.791477  44.43787       1.498390  7.031166       1.656201  
1 1 1 19  10 18 o 90.17435 1.012331  81.40340       1.824972  80.12834       2.537579  82.76942       2.626518  -1.459480      2.024661  
1 1 1 19  10 19 o 84.36649 0.9595998 71.08595       1.615603  68.45438       2.198692  74.17435       2.381906  -3.379654      1.919200  
1 1 1 19  10 20 o 65.29158 1.067919  42.61708       1.391878  41.13913       1.899191  44.33202       2.045799  -2.434784      2.135838  
1 1 1 19  10 21 o 76.49107 1.217789  58.63914       1.861903  57.52412       2.580501  59.85000       2.689113  -1.511070      2.435577  
1 1 1 19  10 22 o 37.06790 0.6841138 13.64496       0.4946938 14.23570       0.8001851 13.27950       0.6293799 1.281399       1.368228  
1 1 1 19  10 23 o 38.28366 1.034248  14.66088       0.7910283 13.98800       1.088580  15.41369       1.151429  -1.856770      2.068495  
1 1 1 19  10 24 o 31.25774 0.6001089 9.754336       0.3743353 9.430107       0.5096042 10.13431       0.5516754 -1.124271      1.200218  
1 1 1 19  10 25 o 49.43248 0.8357500 24.54154       0.8239292 23.46502       1.194237  25.51941       1.138205  -2.082405      1.671500  
1 1 1 19  10 26 o 51.81131 0.9180254 27.24499       0.8819806 26.00636       1.557879  27.82927       1.069965  -1.804596      1.836051  
1 1 1 19  10 27 o 85.91217 1.440635  74.24681       2.474697  75.42429       3.550081  73.13381       3.451500  1.317772       2.881270  
1 1 1 19  10 28 o 56.83247 0.7429579 32.35708       0.8444548 32.72662       1.196994  31.99092       1.191504  0.6467781      1.485916  
1 1 1 19  10 29 o 59.63903 0.7682038 35.62631       0.9160870 36.42464       1.312631  34.86824       1.279105  1.301636       1.536408  
1 1 1 19  10 30 o 49.98370 0.7027271 24.99215       0.7019616 26.14411       1.016177  23.94073       0.9708225 2.199833       1.405454  
1 1 1 19  10 31 f 26.38758 0.6615457 6.943493       0.3466101 8.198637       0.5079469 5.849785       0.4741571 4.447624       1.323091  
1 1 1 19  10 32 o 17.05294 0.7774451 2.918793       0.2642632 2.961203       0.3607474 2.869680       0.3882113 0.2714558      1.554890  
1 1 1 19  10 33 o 28.77370 0.6511443 8.298901       0.3744878 8.475549       0.5242714 8.114874       0.5351062 0.6278095      1.302289  
1 1 1 19  10 34 o 33.47767 0.6486270 11.21971       0.4338320 11.01651       0.5977711 11.44584       0.6306070 -0.6375999     1.297254  
1 1 1 19  10 35 o 23.50361 0.6876425 5.530550       0.3230197 5.359377       0.4468095 5.717968       0.4675326 -0.7603283     1.375285  
1 1 1 19  10 36 o 27.71386 0.6848711 7.671779       0.3787009 7.325386       0.5143406 8.081890       0.5596519 -1.359245      1.369742  
1 1 1 19  10 37 o 29.95170 0.6744602 8.993551       0.4038949 8.989143       0.5640342 8.998192       0.5786330 -0.1317596E-01 1.348920  
1 1 1 19  10 38 o 10.40018 1.270710  1.097724       0.2579626 1.017081       0.3433552 1.202235       0.3908753 -1.027696      2.541420  
1 1 1 19  10 39 o 37.34974 1.030818  14.23151       0.7222469 13.48741       1.244954  14.60899       0.8867182 -1.581902      2.061636  
1 1 1 19  10 40 o 19.78785 1.249196  3.935229       0.4943778 3.935229       0.4943778 ?              ?         ?              ?         
1 1 1 19  10 41 o 16.01130 0.9416012 2.584656       0.3004200 2.646405       0.4106461 2.513553       0.4406556 0.4218693      1.883202  
1 1 1 19  10 42 o 34.36531 0.7034133 11.82447       0.4828733 11.33552       0.6632176 12.37605       0.7044147 -1.506851      1.406827  
1 1 1 19  11 0  o 105.1499 1.661945  109.6699       3.467874  102.6391       4.573946  119.1758       5.318455  -7.836533      3.323889  
1 1 1 19  11 1  o 112.7700 1.760269  127.3842       3.969306  129.1745       5.683534  125.6797       5.545888  1.544075       3.520538  
1 1 1 19  11 2  o 55.38629 1.074399  30.37365       1.181678  28.11592       1.561754  33.39711       1.807295  -4.761471      2.148799  
1 1 1 19  11 3  o 144.2615 2.197717  208.6026       6.336058  213.7111       9.179502  203.9540       8.756533  3.359192       4.395434  
1 1 1 19  11 4  o 97.14180 1.552238  94.41190       3.012993  97.21503       4.375933  91.88503       4.154701  2.734550       3.104475  
1 1 1 19  11 5  o 51.91119 1.043613  26.61872       1.075931  30.13447       1.643625  23.98255       1.423249  5.919037       2.087225  
1 1 1 19  11 6  o 140.6022 2.147595  198.2318       6.033481  203.5613       8.763660  193.4295       8.318958  3.574356       4.295190  
1 1 1 19  11 7  o 46.20261 1.010777  21.21436       0.9306764 23.48355       1.385700  19.34959       1.256164  4.469540       2.021553  
1 1 1 19  11 8  o 108.0018 1.700774  116.9401       3.673238  118.2703       5.247499  115.6622       5.143546  1.201561       3.401549  
1 1 1 19  11 9  o 23.19553 1.184548  5.414305       0.5260617 7.655144       0.7768811 3.516736       0.7149045 8.918280       2.369097  
1 1 1 19  11 10 o 19.40830 1.242449  3.768088       0.4802462 3.722131       0.6482117 3.824009       0.7150363 -0.2593956     2.484899  
1 1 1 19  11 11 o 87.17142 1.429690  75.87659       2.485267  72.55684       3.362772  79.87229       3.689272  -4.176689      2.859380  
1 1 1 19  11 12 o 75.81830 1.292305  57.60461       1.959592  57.58696       2.765783  57.62242       2.776814  -0.2275085E-01 2.584609  
1 1 1 19  11 13 o 71.32672 1.242849  50.85615       1.770008  49.00117       2.419677  52.99123       2.595948  -2.787018      2.485697  
1 1 1 19  11 14 o 91.10744 1.485263  82.89252       2.697535  79.04979       3.641277  87.56680       4.015967  -4.647514      2.970526  
1 1 1 19  11 15 o 51.59081 1.061711  26.66185       1.095346  26.84631       1.539908  26.47294       1.558364  0.3628502      2.123421  
1 1 1 19  11 16 o 48.09041 1.031267  22.86622       0.9839734 20.91158       1.295422  25.53201       1.512835  -4.791885      2.062533  
1 1 1 19  11 17 o 63.34796 0.7702968 40.15704       0.9758016 40.76864       1.394115  39.56962       1.366289  0.9451904      1.540594  
1 1 1 19  11 18 o 64.13150 0.7774954 40.80091       0.9909589 38.07150       1.314801  44.39039       1.507794  -4.917595      1.554991  
1 1 1 19  11 19 o 74.72962 0.8720000 55.91539       1.303051  55.43086       1.822579  56.42201       1.863693  -0.6607666     1.744000  
1 1 1 19  11 20 o 38.37935 0.6059252 14.70680       0.4645146 14.07015       0.6377069 15.42643       0.6779878 -1.765232      1.211850  
1 1 1 19  11 21 o 30.75798 0.6099473 9.507223       0.3729843 10.68028       0.5268002 8.328096       0.5281614 3.823755       1.219895  
1 1 1 19  11 22 o 37.95325 0.7537963 14.41128       0.5717786 14.12467       0.7910743 14.72479       0.8273811 -0.7884026     1.507593  
1 1 1 19  11 23 o 26.98866 0.6974634 7.165849       0.3718851 8.966763       0.5651960 5.790930       0.4938454 5.879395       1.394927  
1 1 1 19  11 24 o 24.68618 1.243769  6.132027       0.6126417 6.371530       0.8490272 5.871858       0.8848981 1.016245       2.487538  
1 1 1 19  11 25 o 15.46033 1.782144  2.421651       0.5312536 1.915289       0.7144072 3.048047       0.7945847 -3.864192      3.564289  
1 1 1 19  11 26 o 34.29047 0.6153205 11.77475       0.4218755 11.93925       0.5924315 11.60552       0.6009029 0.4871674      1.230641  
1 1 1 19  11 27 o 33.45915 0.6199750 11.08619       0.4125120 10.02493       0.5492502 12.45940       0.6247812 -3.632605      1.239950  
1 1 1 19  11 28 o 47.51807 0.6798734 22.61710       0.6460937 22.80836       0.9120755 22.42446       0.9153625 0.4042244      1.359747  
1 1 1 19  11 29 o 45.16364 0.6749343 20.43561       0.6095291 20.64291       0.8563069 20.22271       0.8678172 0.4662323      1.349869  
1 1 1 19  11 30 o 37.98622 0.6457719 14.24714       0.4866687 12.86644       0.6406271 16.13134       0.7483730 -4.287971      1.291544  
1 1 1 19  11 31 o 7.324018 1.450170  0.5417105      0.2186268 0.4644641      0.2841426 0.6538012      0.3422804 -1.178483      2.900341  
1 1 1 19  11 32 o 46.95542 0.6877862 22.09162       0.6459036 22.02454       0.9121207 22.15909       0.9147766 -0.1429977     1.375572  
1 1 1 19  11 33 o 50.44744 0.7110261 25.47445       0.7168633 24.58491       0.9910197 26.45076       1.038222  -1.843773      1.422052  
1 1 1 19  11 34 o 22.09802 0.7120853 4.909023       0.3135738 5.366549       0.4421589 4.446070       0.4447734 2.083044       1.424171  
1 1 1 19  11 35 o 33.85912 0.6603068 11.45835       0.4465287 10.86032       0.6125515 12.13651       0.6522945 -1.879890      1.320614  
1 1 1 19  11 36 o 29.39911 0.6686473 8.635497       0.3923750 7.938008       0.5390396 9.421588       0.5722528 -2.518934      1.337295  
1 1 1 19  11 37 f 32.19529 0.6742179 10.37191       0.4336787 9.947211       0.5969435 10.84663       0.6311104 -1.392199      1.348436  
1 1 1 19  11 38 o 59.95702 1.220142  36.29445       1.462272  36.01350       2.099352  36.55920       2.037944  -0.4717712     2.440283  
1 1 1 19  11 39 o 22.78187 0.7543974 5.224328       0.3426230 5.479798       0.4738328 4.944380       0.4960120 1.178804       1.508795  
1 1 1 19  11 40 o 36.34909 0.7506062 13.03563       0.5345707 12.20782       0.6812584 14.36203       0.8623506 -2.930817      1.501212  
1 1 1 19  11 41 o 13.19481 1.243775  1.723034       0.3230891 1.564270       0.4149421 1.967506       0.5149034 -1.496996      2.487550  
1 1 1 19  11 42 o 29.63362 1.308664  0.000000       0.000000  ?              ?         8.835334       0.7756088 ?              ?         
1 1 1 19  12 0  o 158.1211 2.398866  250.9946       7.584908  249.0456       10.61199  253.0303       10.84517  -1.246124      4.797732  
1 1 1 19  12 1  o 170.6966 2.577487  292.3795       8.788541  284.8413       12.07607  300.8680       12.81453  -4.644913      5.154974  
1 1 1 19  12 2  f 42.86099 1.014766  18.34952       0.8684562 17.79634       1.188169  18.98404       1.272532  -1.383175      2.029532  
1 1 1 19  12 3  o 104.3725 1.654996  109.1829       3.454711  109.5028       4.889910  108.8640       4.881500  0.3056107      3.309991  
1 1 1 19  12 4  o 16.02287 1.625988  2.710298       0.4704457 4.051677       0.6809244 1.485266       0.6507240 8.186524       3.251975  
1 1 1 19  12 5  o 44.25723 1.008439  19.58113       0.8917063 20.87096       1.283956  18.37936       1.239353  2.813442       2.016877  
1 1 1 19  12 6  o 74.42328 1.276746  54.69472       1.881806  50.23582       2.460977  60.97245       2.920082  -7.193520      2.553492  
1 1 1 19  12 7  o 36.99892 0.9843534 13.71897       0.7274941 14.31192       1.020228  13.10560       1.037657  1.630802       1.968707  
1 1 1 19  12 8  o 47.53470 1.024200  22.35119       0.9673383 20.29107       1.281907  25.07576       1.474208  -5.025589      2.048399  
1 1 1 19  12 9  f 41.46471 0.9942369 17.20641       0.8242496 17.83476       1.177086  16.60187       1.154570  1.485760       1.988474  
1 1 1 19  12 10 o 25.30996 1.089965  6.353600       0.5490737 5.696550       0.7362577 7.176933       0.8241733 -2.920300      2.179930  
1 1 1 19  12 11 o 71.89780 1.252204  51.49695       1.793896  55.21425       2.682249  48.48857       2.412969  4.661980       2.504408  
1 1 1 19  12 12 o 98.66304 1.585497  97.64610       3.128100  98.85594       4.472689  96.48775       4.376483  1.193001       3.170995  
1 1 1 19  12 13 o 125.0288 1.941301  157.1370       4.854151  156.3633       6.826250  157.9285       6.904025  -0.6184769     3.882602  
1 1 1 19  12 14 o 33.33812 1.011645  10.91896       0.6679916 9.519842       0.8754836 12.86834       1.033400  -5.013672      2.023291  
1 1 1 19  12 15 o 15.99180 1.475469  2.538747       0.4674220 2.382091       0.6128483 2.756614       0.7227271 -1.162198      2.950938  
1 1 1 19  12 16 o 72.18714 1.262878  52.22199       1.822738  51.44968       2.540821  53.04087       2.616317  -1.096756      2.525756  
1 1 1 19  12 17 o 61.86294 1.163170  38.17050       1.434425  36.13689       1.935337  40.64942       2.136751  -3.632854      2.326339  
1 1 1 19  12 18 o 35.91957 1.044109  12.92968       0.7497854 13.41145       1.064949  12.45613       1.055823  1.329147       2.088218  
1 1 1 19  12 19 o 44.83994 0.6345811 20.09389       0.5686854 21.06397       0.8216944 19.20207       0.7878575 2.074657       1.269162  
1 1 1 19  12 20 o 22.15423 0.5598409 4.929046       0.2469471 5.427039       0.3475484 4.421262       0.3509485 2.270084       1.119682  
1 1 1 19  12 21 f 35.79460 0.7197320 12.82385       0.5150408 12.69623       0.7167482 12.96010       0.7405921 -0.3671913     1.439464  
1 1 1 19  12 22 o 67.02493 1.101403  45.26562       1.446292  43.98607       2.270548  46.13927       1.876155  -1.643539      2.202806  
1 1 1 19  12 23 o 42.29414 1.494853  17.94148       1.264471  17.94148       1.264471  ?              ?         ?              ?         
1 1 1 19  12 24 o 35.63578 0.7432373 12.55669       0.5258473 11.40517       0.6943013 14.10584       0.8053052 -3.780727      1.486475  
1 1 1 19  12 25 f 11.40297 1.002843  1.357251       0.2191323 1.062098       0.3381718 1.570887       0.2877080 -2.236171      2.005687  
1 1 1 19  12 26 f 51.32312 0.7057458 26.09056       0.7192693 24.05248       0.9504896 28.82158       1.100270  -4.634056      1.411492  
1 1 1 19  12 27 o 50.43147 0.7012849 25.47661       0.7072808 25.90640       1.002424  25.05053       0.9980824 0.8481674      1.402570  
1 1 1 19  12 28 f 76.19775 0.9040893 58.03364       1.374393  55.49287       1.865721  61.04842       2.032320  -3.625687      1.808179  
1 1 1 19  12 29 o 41.81959 0.6567699 17.52143       0.5491855 17.91820       0.7753372 17.12194       0.7780007 0.9522591      1.313540  
1 1 1 19  12 30 o 58.34983 0.7616408 33.92846       0.8853209 32.01254       1.189363  36.30909       1.325783  -3.666855      1.523282  
1 1 1 19  12 31 o 11.26987 0.9968265 1.229358       0.2187164 0.8972005      0.2832855 1.719562       0.3441446 -3.639690      1.993653  
1 1 1 19  12 32 o 29.89224 0.6489136 8.967856       0.3872790 9.352681       0.5402872 8.561179       0.5554165 1.325502       1.297827  
1 1 1 19  12 33 o 36.01062 0.6487590 12.99557       0.4671981 13.06620       0.6571966 12.92340       0.6642963 0.1990814      1.297518  
1 1 1 19  12 34 o 21.91808 0.7139796 4.784532       0.3119349 4.401856       0.4212033 5.249344       0.4642111 -1.927876      1.427959  
1 1 1 19  12 35 o 49.50517 0.7197303 24.55664       0.7123451 23.81290       0.9919673 25.34856       1.023593  -1.546753      1.439461  
1 1 1 19  12 36 o 47.42886 1.027123  22.39707       0.9204519 23.33309       1.602551  21.93625       1.124425  1.375740       2.054246  
1 1 1 19  12 37 o 14.96093 1.299809  1.999596       0.3269365 1.807358       0.3655118 2.768847       0.7311662 -3.110573      2.599617  
1 1 1 19  12 38 o 12.72091 1.132458  1.609478       0.2686530 1.052479       0.3525250 2.381101       0.4149206 -5.332790      2.264916  
1 1 1 19  12 39 o 6.493433 1.579286  0.3675047      0.2491999 0.2461206      0.3284047 0.5322739      0.3826189 -1.605056      3.158571  
1 1 1 19  12 40 o 24.30363 0.7311756 5.896592       0.3543710 5.493079       0.4795401 6.382056       0.5259867 -1.820318      1.462351  
1 1 1 19  12 41 o 25.55540 0.8689042 6.609786       0.4372548 6.844745       0.5762956 6.291018       0.6712529 1.103554       1.737808  
1 1 1 19  13 0  o 169.6425 2.565490  289.2722       8.700521  284.7627       12.09288  294.1118       12.52741  -2.721558      5.130979  
1 1 1 19  13 1  o 87.62787 1.441406  76.92923       2.526139  76.86489       3.567595  76.99391       3.577424  -0.7317352E-01 2.882811  
1 1 1 19  13 2  o 171.2673 2.589927  295.0791       8.869593  291.9438       12.39516  298.3690       12.69729  -1.850159      5.179854  
1 1 1 19  13 3  o 104.6932 1.660672  109.8505       3.476241  111.6060       4.988520  108.1933       4.846836  1.622009       3.321343  
1 1 1 19  13 4  o 145.1283 2.217963  211.6013       6.437183  210.1582       9.030812  213.0918       9.178079  -0.9995270     4.435925  
1 1 1 19  13 5  o 68.68770 1.221395  47.22412       1.677189  46.39184       2.331294  48.11701       2.414711  -1.252197      2.442791  
1 1 1 19  13 6  o 65.67081 1.185157  43.15258       1.555816  44.44020       2.244301  41.96130       2.158707  1.883499       2.370315  
1 1 1 19  13 7  o 61.24864 1.139961  37.16380       1.386752  34.27683       1.834057  41.01744       2.118980  -5.489113      2.279922  
1 1 1 19  13 8  o 84.34912 1.403689  71.25829       2.366612  73.15281       3.419164  69.51589       3.279022  2.147186       2.807378  
1 1 1 19  13 9  o 128.6812 1.993821  166.2225       5.126271  170.9171       7.451965  162.0053       7.062953  3.427628       3.987642  
1 1 1 19  13 10 f 63.24180 1.172417  39.95940       1.479816  38.49038       2.015641  41.67699       2.179502  -2.510422      2.344834  
1 1 1 19  13 11 o 23.99307 1.156842  5.768111       0.5547388 5.789384       0.7710754 5.745287       0.7986916 0.9345818E-01  2.313683  
1 1 1 19  13 12 o 145.3211 2.229321  212.7077       6.479271  213.3579       9.190070  212.0651       9.136313  0.4386292      4.458642  
1 1 1 19  13 13 o 58.21891 1.123218  33.85115       1.305171  32.34404       1.777600  35.61396       1.922482  -2.799568      2.246436  
1 1 1 19  13 14 o 137.7100 2.123037  190.6763       5.839755  185.4319       8.018403  196.6000       8.521894  -3.995941      4.246074  
1 1 1 19  13 15 o 36.17873 1.039578  12.88163       0.7444355 11.56503       0.9712081 14.75703       1.159126  -4.400005      2.079156  
1 1 1 19  13 16 o 30.97998 1.074019  9.630924       0.6645476 10.01983       0.9293276 9.223959       0.9506600 1.285973       2.148037  
1 1 1 19  13 17 o 7.598692 2.071603  0.3541124      0.4464273 0.2017158      0.5986210 0.5450729      0.6700946 -1.389649      4.143206  
1 1 1 19  13 18 o 38.55278 1.079657  14.89738       0.8307309 16.20911       1.187732  13.64113       1.162341  3.328552       2.159314  
1 1 1 19  13 19 o 62.22454 1.195899  38.80271       1.487549  39.99360       2.145161  37.69961       2.064576  1.835983       2.391797  
1 1 1 19  13 20 o 53.96962 1.114877  29.21225       1.203117  29.22803       1.683895  29.19580       1.719597  0.3315735E-01  2.229755  
1 1 1 19  13 21 o 80.34390 1.179992  64.46494       1.745038  63.98750       2.088944  65.56758       3.174580  -0.8729095     2.359985  
1 1 1 19  13 22 o 66.55711 0.8110384 44.35799       1.079227  43.66262       1.502391  45.09939       1.551300  -1.075523      1.622077  
1 1 1 19  13 23 o 72.40739 0.8622514 52.53961       1.248627  53.06834       1.773767  52.02025       1.757988  0.7223282      1.724503  
1 1 1 19  13 24 f 28.07613 0.5919090 7.896435       0.3318951 8.415415       0.4707645 7.383557       0.4679890 1.837431       1.183818  
1 1 1 19  13 25 f 57.23452 0.9168026 32.65193       1.032599  31.79533       1.337247  33.91704       1.625117  -1.823265      1.833605  
1 1 1 19  13 26 o 24.97484 0.6963295 6.247411       0.3471940 6.239144       0.4768293 6.256740       0.5065281 -0.3268623E-01 1.392659  
1 1 1 19  13 27 o 46.77962 0.7144127 21.89277       0.6670714 20.02372       0.9256685 23.91205       0.9621516 -4.152580      1.428825  
1 1 1 19  13 28 o 71.88483 0.8663719 51.76037       1.244629  53.40671       1.803810  50.26426       1.719554  2.175819       1.732744  
1 1 1 19  13 29 o 29.53405 0.6303172 8.748452       0.3717830 9.049580       0.5182058 8.429052       0.5336977 1.051918       1.260634  
1 1 1 19  13 30 o 28.69096 0.6377090 8.253265       0.3652020 8.894508       0.5183461 7.621204       0.5146211 2.218655       1.275418  
1 1 1 19  13 31 o 24.56880 0.6577954 6.053514       0.3223066 6.125137       0.4409838 5.971379       0.4722408 0.3161812      1.315591  
1 1 1 19  13 32 o 21.04108 0.6921425 4.345503       0.2882007 3.760843       0.3767115 5.170652       0.4475315 -3.341574      1.384285  
1 1 1 19  13 33 o 23.86267 0.6834952 5.690012       0.3250028 5.515237       0.4384306 5.903197       0.4842199 -0.8073769     1.366990  
1 1 1 19  13 34 o 54.87358 0.8318570 30.19527       0.8940359 30.34139       1.417151  30.09867       1.152272  0.1806870      1.663714  
1 1 1 19  13 35 o 62.33217 1.097387  38.91940       1.327956  38.31292       1.680450  39.92794       2.167032  -1.190098      2.194774  
1 1 1 19  13 36 o 49.64091 0.7249759 24.71743       0.7197335 24.51952       1.011690  24.92025       1.024138  -0.4017258     1.449952  
1 1 1 19  13 37 f 34.06637 0.6772133 11.61773       0.4607934 12.49226       0.6660365 10.81484       0.6381764 2.457806       1.354427  
1 1 1 19  13 38 o 28.83265 0.6961362 8.344821       0.4011568 8.563785       0.5622526 8.117780       0.5725297 0.7750759      1.392272  
1 1 1 19  13 39 o 30.61637 0.6976702 9.388118       0.4265983 9.091160       0.5847804 9.725918       0.6237006 -1.029852      1.395340  
1 1 1 19  13 40 o 22.80470 0.8129174 5.143354       0.3627586 4.857254       0.4616974 5.604905       0.5864189 -1.614534      1.625835  
1 1 1 19  14 0  o 38.73881 0.9908634 14.99293       0.7665361 14.53882       1.049884  15.51136       1.121775  -1.252815      1.981727  
1 1 1 19  14 1  o 67.05270 1.200460  44.68449       1.601068  41.97081       2.133179  48.18534       2.422893  -4.621979      2.400920  
1 1 1 19  14 2  o 107.6682 1.705732  116.1990       3.671432  118.5257       5.288572  114.0346       5.100891  2.074043       3.411465  
1 1 1 19  14 3  f 49.11412 1.048629  24.10773       1.029011  25.62037       1.488928  22.72464       1.423742  2.945332       2.097257  
1 1 1 19  14 4  o 50.76306 1.060021  25.73983       1.074632  24.67084       1.471935  26.96000       1.572568  -2.250340      2.120042  
1 1 1 19  14 5  o 96.41094 1.557523  93.20087       3.002717  94.70340       4.296098  91.76580       4.198549  1.516861       3.115046  
1 1 1 19  14 6  f 31.38939 1.038386  9.880792       0.6508481 10.21137       0.9054241 9.527345       0.9362249 1.091007       2.076771  
1 1 1 19  14 7  o 77.91053 1.330087  60.83211       2.072431  61.56425       2.950074  60.11875       2.912016  0.9253540      2.660174  
1 1 1 19  14 8  o 14.50284 1.647377  2.075010       0.4607732 1.726047       0.5944166 2.600391       0.7293550 -3.190719      3.294755  
1 1 1 19  14 9  o 93.65140 1.528893  87.97661       2.863162  87.24743       4.005575  88.73837       4.094121  -0.7893448     3.057785  
1 1 1 19  14 10 f 19.21023 1.369564  3.675786       0.5181525 2.858094       0.7025676 4.650981       0.7672545 -4.661974      2.739128  
1 1 1 19  14 11 o 84.90237 1.419168  72.29913       2.409611  71.95109       3.382557  72.65770       3.433422  -0.4122696     2.838335  
1 1 1 19  14 12 o 80.27175 1.367599  64.52414       2.193119  62.65833       3.016053  66.61757       3.194733  -2.452728      2.735198  
1 1 1 19  14 13 o 116.4930 1.834909  136.4483       4.275058  136.2579       6.033720  136.6403       6.058043  -0.1615753     3.669819  
1 1 1 19  14 14 o 63.75266 1.189625  40.74387       1.516732  40.60629       2.131037  40.88511       2.159205  -0.2165794     2.379250  
1 1 1 19  14 15 o 88.48868 1.474563  78.62192       2.609234  78.01035       3.652325  79.25942       3.728894  -0.6980209     2.949126  
1 1 1 19  14 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  14 17 o 33.27305 1.118720  11.10757       0.7336950 13.73478       1.066057  8.743272       1.011309  7.496460       2.237440  
1 1 1 19  14 18 o 27.52372 1.176380  7.594553       0.6467158 7.512262       0.8898963 7.686660       0.9414697 -0.3119736     2.352759  
1 1 1 19  14 19 o 43.98072 1.084195  19.21462       0.9485306 17.67961       1.263767  21.19492       1.435418  -3.980690      2.168391  
1 1 1 19  14 20 o 87.48520 1.467586  76.89143       2.566177  75.19199       3.552519  78.74579       3.710906  -2.010048      2.935172  
1 1 1 19  14 21 o 27.09594 1.175906  7.289991       0.6330771 6.692376       0.8386874 8.081494       0.9651951 -2.548498      2.351812  
1 1 1 19  14 22 o 107.2949 1.186626  115.5344       2.545144  113.5592       3.534010  117.6628       3.668512  -1.895584      2.373252  
1 1 1 19  14 23 o 35.89853 0.6035261 12.85328       0.4321768 12.27226       0.5859445 13.54647       0.6400085 -1.771183      1.207052  
1 1 1 19  14 24 o 91.40684 1.038006  83.76014       1.896035  81.80784       2.617810  85.91437       2.749860  -2.230331      2.076011  
1 1 1 19  14 25 o 17.20149 0.6490515 2.914557       0.2214469 2.547362       0.2921210 3.410665       0.3395498 -2.505558      1.298103  
1 1 1 19  14 26 o 88.30920 1.015266  78.04993       1.788784  75.10247       2.429938  81.53668       2.642905  -3.614365      2.030532  
1 1 1 19  14 27 o 26.85881 0.7006130 7.234213       0.3756734 7.349231       0.5183692 7.106976       0.5452112 0.4535370      1.401226  
1 1 1 19  14 28 o 10.29270 1.112733  1.176108       0.2054935 1.582109       0.2764200 0.6745214      0.3072406 4.540222       2.225467  
1 1 1 19  14 29 o 38.18716 0.6481555 14.60495       0.4947599 14.51709       0.6876050 14.69928       0.7124485 -0.2361755     1.296311  
1 1 1 19  14 30 o 27.72662 0.6379128 7.702982       0.3531289 8.310066       0.5037667 7.116502       0.4951444 2.151505       1.275826  
1 1 1 19  14 31 o 21.62543 0.6767701 4.552012       0.2879286 3.624951       0.3748840 5.885507       0.4496124 -5.217827      1.353540  
1 1 1 19  14 32 o 45.90017 0.6963840 21.12331       0.6391428 21.57554       0.9022740 20.66784       0.9055036 0.9891739      1.392768  
1 1 1 19  14 33 o 54.55742 1.220445  29.99420       1.331655  30.17964       1.891251  29.81186       1.875339  0.3334885      2.440891  
1 1 1 19  14 34 f 40.32302 0.6895068 16.30532       0.5559139 16.74462       0.7864982 15.86673       0.7858640 1.088490       1.379014  
1 1 1 19  14 35 o 39.70602 0.6724128 15.80453       0.5338784 16.23897       0.7603210 15.38199       0.7498246 1.077694       1.344826  
1 1 1 19  14 36 o 47.28532 0.7112859 22.40719       0.6722581 23.08051       0.9716982 21.78905       0.9310379 1.359173       1.422572  
1 1 1 19  14 37 o 7.929811 1.494290  0.6516376      0.2381313 0.6105271      0.3086939 0.7120550      0.3742253 -0.6084032     2.988581  
1 1 1 19  14 38 o 40.58511 0.6910868 16.43439       0.5593938 17.95028       0.8279148 15.16103       0.7588004 3.424553       1.382174  
1 1 1 19  14 39 o 6.563072 1.478035  0.4185139      0.2369931 0.6314992      0.3115088 0.1258323      0.3651684 2.368440       2.956070  
1 1 1 19  14 40 o 23.59435 1.322244  0.000000       0.000000  ?              ?         5.602408       0.6239494 ?              ?         
1 1 1 19  15 0  o 69.84605 2.585173  0.000000       0.000000  ?              ?         48.97702       3.611281  ?              ?         
1 1 1 19  15 1  f 58.15802 1.136670  33.87360       1.322061  33.45832       1.859146  34.29842       1.880389  -0.7212105     2.273340  
1 1 1 19  15 2  o 80.44170 1.361003  64.84325       2.189334  65.84141       3.127610  63.88423       3.065691  1.212784       2.722007  
1 1 1 19  15 3  o 83.14088 1.393797  69.24538       2.316179  67.96902       3.208469  70.63439       3.347069  -1.594208      2.787595  
1 1 1 19  15 4  o 94.87582 1.543833  90.06561       2.924465  94.06506       4.291118  86.59692       3.996245  3.914886       3.087667  
1 1 1 19  15 5  o 82.90009 1.394035  68.87594       2.310509  67.98090       3.217622  69.82879       3.319884  -1.107834      2.788069  
1 1 1 19  15 6  o 122.7552 1.918565  151.4422       4.710093  152.3945       6.697186  150.5101       6.625546  0.7608948      3.837130  
1 1 1 19  15 7  o 57.44942 1.128828  32.82198       1.291994  35.99868       1.932648  30.25518       1.737243  4.987587       2.257656  
1 1 1 19  15 8  o 61.36907 1.172630  37.74068       1.439180  37.99957       2.028989  37.47853       2.041685  0.4253006      2.345261  
1 1 1 19  15 9  o 60.64946 1.169203  36.84798       1.417993  37.61376       2.027287  36.11447       1.984099  1.233307       2.338406  
1 1 1 19  15 10 o 52.79133 1.102882  27.72709       1.158208  26.15565       1.544410  29.74671       1.750851  -3.388599      2.205765  
1 1 1 19  15 11 o 68.36472 1.245760  46.85682       1.703283  47.16833       2.407277  46.54451       2.410338  0.4564667      2.491520  
1 1 1 19  15 12 o 58.09129 1.157975  33.73204       1.343497  35.86937       1.961205  31.84217       1.844173  3.457821       2.315950  
1 1 1 19  15 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  15 14 o 27.51501 1.178629  7.662751       0.6424511 8.540464       0.8878970 6.698284       0.9307426 3.351109       2.357258  
1 1 1 19  15 15 o 10.57399 2.063288  1.184981       0.4888014 1.710411       0.6444646 0.4733382      0.7500198 4.462622       4.126576  
1 1 1 19  15 16 f 29.11006 1.180984  8.275306       0.6778098 6.740812       0.8841839 10.46229       1.055561  -6.376453      2.361967  
1 1 1 19  15 17 o 34.11649 1.126757  11.74336       0.7642206 12.77587       1.059011  10.62141       1.103930  3.161678       2.253514  
1 1 1 19  15 18 o 52.71608 1.125210  27.69400       1.181395  25.96254       1.584824  29.85946       1.772350  -3.677685      2.250419  
1 1 1 19  15 19 o 21.84832 1.431287  4.963493       0.6003523 6.346968       0.8327217 3.466097       0.8663279 6.597275       2.862575  
1 1 1 19  15 20 o 30.81974 1.157656  9.462820       0.7088092 8.946617       0.9398704 10.14361       1.079358  -1.925297      2.315312  
1 1 1 19  15 21 o 71.97136 1.307786  52.02296       1.881620  53.41383       2.711082  50.73030       2.613619  1.850830       2.615571  
1 1 1 19  15 22 o 37.80199 1.117472  14.33873       0.8444129 14.12870       1.172101  14.56537       1.217556  -0.5719185     2.234945  
1 1 1 19  15 23 o 73.19113 0.8727814 53.70518       1.277568  53.52444       1.799595  53.88883       1.814000  -0.2474442     1.745563  
1 1 1 19  15 24 o 20.16364 0.5779988 4.062585       0.2324312 3.970155       0.3155042 4.172287       0.3437203 -0.4991608     1.155998  
1 1 1 19  15 25 o 59.73034 0.7665181 35.51203       0.9114311 33.35709       1.219431  38.23961       1.371918  -4.071472      1.533036  
1 1 1 19  15 26 o 35.05055 0.6167013 12.29564       0.4321378 12.79298       0.6192600 11.82358       0.6033218 1.381516       1.233403  
1 1 1 19  15 27 f 21.70321 0.6274812 4.629166       0.2697535 3.946035       0.3553176 5.558596       0.4144511 -3.709669      1.254962  
1 1 1 19  15 28 o 53.92164 0.8408212 29.46735       0.8905336 31.01230       1.173077  27.36597       1.368109  3.405113       1.681642  
1 1 1 19  15 29 o 38.01842 0.7747399 14.47794       0.5886643 15.26506       0.8468857 13.74214       0.8188177 1.999367       1.549480  
1 1 1 19  15 30 o 39.44576 0.6891760 15.60763       0.5430647 15.32915       0.7830956 15.86564       0.7537628 -0.6835747     1.378352  
1 1 1 19  15 31 o 16.80087 1.962635  2.928097       0.6419395 3.213774       0.9035218 2.636893       0.9122198 1.966795       3.925270  
1 1 1 19  15 32 o 35.67984 0.6542636 12.68420       0.4653232 11.86208       0.6275223 13.68844       0.6935538 -2.551414      1.308527  
1 1 1 19  15 33 o 49.51335 0.7259156 24.58212       0.7187039 24.31026       1.004335  24.86743       1.028913  -0.5591164     1.451831  
1 1 1 19  15 34 o 34.39772 0.6623744 11.86882       0.4554057 12.10034       0.6371098 11.62694       0.6512032 0.6900558      1.324749  
1 1 1 19  15 35 o 21.05019 0.7095779 4.433307       0.2981932 4.258209       0.4070428 4.636128       0.4380838 -0.8927574     1.419156  
1 1 1 19  15 36 o 19.24035 0.7506608 3.647503       0.2860456 3.073881       0.3778848 4.417244       0.4377432 -3.480865      1.501322  
1 1 1 19  15 37 o 46.15458 0.7091510 21.36718       0.6544362 21.76293       0.9388967 20.99322       0.9126849 0.8293037      1.418302  
1 1 1 19  15 38 o 36.40436 0.6816275 13.29210       0.4961624 12.88310       0.6959883 13.71476       0.7075126 -1.140320      1.363255  
1 1 1 19  15 39 o 35.64682 1.208912  0.000000       0.000000  ?              ?         12.77395       0.8618772 ?              ?         
1 1 1 19  16 0  o 69.62143 1.764075  48.57001       2.456348  48.57001       2.456348  ?              ?         ?              ?         
1 1 1 19  16 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  16 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  16 3  o 47.77565 1.550715  0.000000       0.000000  ?              ?         22.86360       1.481728  ?              ?         
1 1 1 19  16 4  o 34.41629 1.050862  11.85337       0.7216632 11.71692       0.9850135 12.01148       1.060313  -0.4238892     2.101724  
1 1 1 19  16 5  o 108.8999 1.735014  119.0093       3.776215  122.0647       5.465758  116.2190       5.223242  2.661797       3.470027  
1 1 1 19  16 6  o 43.86510 1.065329  19.23109       0.9334865 18.37222       1.282472  20.19886       1.361355  -2.077583      2.130659  
1 1 1 19  16 7  o 21.28769 1.311356  4.580414       0.5536928 4.969732       0.7586499 4.136670       0.8099442 1.960337       2.622711  
1 1 1 19  16 8  o 55.69643 1.134411  30.99665       1.260998  29.80343       1.717217  32.39308       1.857697  -2.315781      2.268822  
1 1 1 19  16 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  16 10 o 23.15366 1.355113  5.337307       0.6246153 4.698926       0.8454298 6.104574       0.9268532 -3.028387      2.710227  
1 1 1 19  16 11 o 35.20653 1.111898  12.31411       0.7792306 11.26439       1.042587  13.64258       1.172881  -3.367443      2.223796  
1 1 1 19  16 12 o 55.01233 1.147696  30.19576       1.258797  28.57091       1.700027  32.16792       1.872922  -3.255341      2.295392  
1 1 1 19  16 13 o 15.36931 1.826344  2.451715       0.5376938 2.648278       0.7151397 2.196086       0.8155420 1.729396       3.652689  
1 1 1 19  16 14 o 49.50712 1.109787  24.49000       1.095968  23.46601       1.486292  25.71031       1.622517  -2.254997      2.219573  
1 1 1 19  16 15 o 46.03162 1.096372  21.25703       1.008933  21.81851       1.420788  20.68587       1.432984  1.231396       2.192745  
1 1 1 19  16 16 o 76.29248 1.343847  58.28201       2.045720  55.98215       2.780588  60.99577       3.020444  -3.257973      2.687695  
1 1 1 19  16 17 o 54.86584 1.152516  29.59662       1.248252  26.61864       1.614383  34.02377       1.968376  -6.710590      2.305032  
1 1 1 19  16 18 o 65.41748 1.241357  42.80746       1.620693  45.86525       2.387295  40.19340       2.207287  4.312592       2.482713  
1 1 1 19  16 19 o 61.54161 1.206934  37.99071       1.483644  37.17200       2.038779  38.91233       2.163116  -1.398232      2.413869  
1 1 1 19  16 20 o 70.43766 1.292041  49.78740       1.818502  51.78189       2.641706  47.99102       2.507073  2.672104       2.584082  
1 1 1 19  16 21 f 25.39307 1.304192  6.499787       0.6582620 6.639653       0.8886436 6.329728       0.9798748 0.6239262      2.608384  
1 1 1 19  16 22 o 31.68525 1.188804  9.893669       0.7458670 8.653299       0.9761094 11.63411       1.156255  -4.677603      2.377608  
1 1 1 19  16 23 o 10.09584 2.392259  0.9639541      0.5638046 0.8435107      0.7397732 1.130859       0.8708457 -1.237265      4.784518  
1 1 1 19  16 24 o 42.50871 0.9328102 17.04978       0.6431676 16.34227       0.7158175 20.01414       1.465216  -4.226967      1.865620  
1 1 1 19  16 25 o 38.45258 0.6238653 14.80996       0.4796670 15.22146       0.6795729 14.40141       0.6771370 1.066090       1.247731  
1 1 1 19  16 26 o 24.00361 0.5915080 5.780201       0.2834297 5.997490       0.3939248 5.546979       0.4081119 0.9396458      1.183016  
1 1 1 19  16 27 o 29.71134 0.6059836 8.834699       0.3597542 8.696155       0.4965306 8.987797       0.5219601 -0.4884872     1.211967  
1 1 1 19  16 28 o 10.80785 0.8710839 1.156700       0.1866547 1.060606       0.2450567 1.289486       0.2880681 -1.052659      1.742168  
1 1 1 19  16 29 o 35.58241 1.266449  12.79081       0.8981178 14.01420       1.270170  11.56757       1.270091  3.437962       2.532898  
1 1 1 19  16 30 o 20.37150 0.9109387 4.318274       0.3407893 4.583072       0.4150559 3.770426       0.5970071 2.022850       1.821877  
1 1 1 19  16 31 o 18.61326 0.7551034 3.489997       0.2796926 3.671959       0.3835080 3.283253       0.4087918 1.047699       1.510207  
1 1 1 19  16 32 o 59.17474 0.7953833 35.13921       0.9411520 35.05453       1.317438  35.22747       1.344969  -0.1417809     1.590767  
1 1 1 19  16 33 o 50.38557 0.7381329 25.47211       0.7437295 25.84787       1.049366  25.09285       1.054236  0.7499886      1.476266  
1 1 1 19  16 34 o 29.93894 0.6706586 8.995975       0.4012501 9.285462       0.5628341 8.696786       0.5721882 0.9845219      1.341317  
1 1 1 19  16 35 o 29.28708 0.6769713 8.623135       0.3955690 9.073024       0.5509242 8.144388       0.5683194 1.588062       1.353943  
1 1 1 19  16 36 o 18.23673 0.7690973 3.306796       0.2780664 3.109323       0.3656323 3.577683       0.4282370 -1.272364      1.538195  
1 1 1 19  16 37 o 28.95753 0.6751295 8.337979       0.3892760 7.529615       0.5228502 9.343395       0.5831041 -3.121756      1.350259  
1 1 1 19  16 38 o 27.81957 0.8091956 7.687648       0.4474140 6.996950       0.5936686 8.595703       0.6807008 -2.855518      1.618391  
1 1 1 19  17 0  o 23.98171 1.245462  5.767426       0.5839173 7.502471       0.8555254 4.254295       0.7989427 6.768599       2.490924  
1 1 1 19  17 1  o 67.12796 1.232434  45.16396       1.654579  45.58088       2.343574  44.74962       2.336298  0.6186829      2.464868  
1 1 1 19  17 2  o 52.70615 1.131659  27.85718       1.191800  28.57743       1.664412  27.09930       1.707325  1.404850       2.263319  
1 1 1 19  17 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  17 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  17 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  17 6  o 55.18067 1.641414  0.000000       0.000000  ?              ?         30.51844       1.811486  ?              ?         
1 1 1 19  17 7  o 61.70810 1.191199  38.04973       1.466587  36.45596       1.991916  39.93652       2.167300  -2.806854      2.382398  
1 1 1 19  17 8  o 19.59686 1.471959  3.838015       0.5755344 3.547103       0.7836589 4.178658       0.8480008 -1.604908      2.943917  
1 1 1 19  17 9  o 29.25759 1.174809  8.588798       0.6845508 8.642300       0.9281412 8.524974       1.013710  0.2075615      2.349618  
1 1 1 19  17 10 o 12.88476 2.119606  1.758308       0.5383026 2.038241       0.7419114 1.447116       0.7822381 2.206264       4.239212  
1 1 1 19  17 11 o 36.64117 1.101245  13.39524       0.8016904 15.72057       1.175474  11.37299       1.096196  5.926327       2.202491  
1 1 1 19  17 12 o 61.68479 1.205136  38.17299       1.486686  38.72370       2.106494  37.62644       2.098510  0.8886490      2.410272  
1 1 1 19  17 13 o 44.39245 1.109613  19.72956       0.9829816 19.27952       1.339834  20.25418       1.446588  -1.087963      2.219226  
1 1 1 19  17 14 o 51.51013 1.134725  26.44091       1.164162  24.76749       1.561922  28.53248       1.746194  -3.636501      2.269449  
1 1 1 19  17 15 o 28.11787 1.240692  7.951395       0.6958307 8.149282       0.9568887 7.729327       1.013671  0.7532749      2.481384  
1 1 1 19  17 16 o 78.70274 1.387789  62.26589       2.183968  61.69821       3.051126  62.86235       3.127486  -0.7289734     2.775578  
1 1 1 19  17 17 o 6.089921 1.950134  -0.4211376     0.5147020 -0.2046817     0.6884732 -0.6954054     0.7749785 0.4473648      3.900268  
1 1 1 19  17 18 f 49.04211 1.121218  23.93994       1.094125  22.21159       1.459884  26.15482       1.652634  -3.997097      2.242436  
1 1 1 19  17 19 o 67.76557 1.277872  46.11869       1.731083  47.65298       2.494899  44.69432       2.403878  2.169846       2.555743  
1 1 1 19  17 20 o 26.12482 1.325824  6.768847       0.6877390 5.879855       0.9142340 7.927707       1.043816  -3.898821      2.651649  
1 1 1 19  17 21 f 14.83894 2.015146  2.292942       0.5806944 2.424681       0.7803614 2.129475       0.8692653 1.289045       4.030293  
1 1 1 19  17 22 o 41.82749 1.153693  17.61701       0.9630691 18.74310       1.352912  16.46020       1.371243  2.731773       2.307386  
1 1 1 19  17 23 f 19.44833 1.658206  3.920801       0.6277252 4.466983       0.8390553 3.226497       0.9460126 3.212856       3.316413  
1 1 1 19  17 24 o 25.57913 1.421965  6.639559       0.7199674 6.950070       0.9658733 6.251305       1.080041  1.388918       2.843930  
1 1 1 19  17 25 o 58.51594 1.094686  34.66155       1.227374  35.31366       1.538217  33.51882       2.036246  1.612392       2.189372  
1 1 1 19  17 26 o 23.51320 0.5715268 5.524551       0.2680482 5.381792       0.3640276 5.693626       0.3961627 -0.6602612     1.143054  
1 1 1 19  17 27 f 39.71476 1.220130  15.83824       0.9657473 17.81132       1.404705  14.06968       1.329908  4.695126       2.440259  
1 1 1 19  17 28 o 8.758875 1.034796  0.7604510      0.1748432 0.6177021      0.2272326 0.9676172      0.2737434 -2.108238      2.069592  
1 1 1 19  17 29 o 63.53799 0.8150544 40.49623       1.035601  41.10349       1.479349  39.91268       1.450207  0.9328575      1.630109  
1 1 1 19  17 30 o 16.12400 0.7435960 2.635471       0.2372212 2.930159       0.3259401 2.303561       0.3459129 1.945843       1.487192  
1 1 1 19  17 31 f 30.64977 0.8875337 9.196254       0.4856258 8.918336       0.5662760 9.968825       0.9441470 -1.648088      1.775067  
1 1 1 19  17 32 o 14.06413 0.8969268 2.022099       0.2465653 2.187830       0.3248408 1.796834       0.3787189 1.400257       1.793854  
1 1 1 19  17 33 o 21.90846 0.6857798 4.850086       0.2982096 5.278484       0.4103369 4.370561       0.4341324 2.075668       1.371560  
1 1 1 19  17 34 o 44.99097 0.7183293 20.26172       0.6455892 21.57720       0.9383975 19.07959       0.8895609 2.767685       1.436659  
1 1 1 19  17 35 o 33.56209 0.6773219 11.27487       0.4534846 10.96833       0.6162574 11.63691       0.6697217 -0.9871216     1.354644  
1 1 1 19  17 36 o 14.46972 0.9240460 2.111878       0.2651895 2.153538       0.3549679 2.059257       0.3989408 0.3357410      1.848092  
1 1 1 19  17 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  18 0  o 34.89342 1.085392  12.19217       0.7567789 12.05534       1.045718  12.34264       1.096587  -0.4085426     2.170784  
1 1 1 19  18 1  o 67.49818 1.244827  45.59071       1.678855  47.79127       2.439081  43.60948       2.314347  3.088654       2.489654  
1 1 1 19  18 2  o 47.90811 1.090491  22.96433       1.043501  22.37114       1.432699  23.63456       1.522895  -1.312649      2.180982  
1 1 1 19  18 3  o 49.13071 1.101894  24.08360       1.078987  22.98224       1.454760  25.43030       1.608656  -2.480640      2.203787  
1 1 1 19  18 4  o 23.25928 1.267728  5.406806       0.5858824 5.263574       0.7805403 5.591648       0.8867011 -0.6962795     2.535455  
1 1 1 19  18 5  o 83.51695 2.019755  70.03074       3.373676  70.03074       3.373676  ?              ?         ?              ?         
1 1 1 19  18 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  18 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  18 8  f 55.63866 1.717793  0.000000       0.000000  ?              ?         31.04988       1.911515  ?              ?         
1 1 1 19  18 9  f 53.93396 1.151727  29.17912       1.241987  29.48429       1.741352  28.86315       1.771916  0.5785484      2.303455  
1 1 1 19  18 10 o 50.83803 1.135733  25.92599       1.154563  26.42520       1.630150  25.42353       1.635460  0.9856491      2.271466  
1 1 1 19  18 11 o 90.66187 1.522097  82.65184       2.759868  82.80186       3.892875  82.50025       3.913289  0.1689606      3.044193  
1 1 1 19  18 12 o 10.44413 2.318202  1.014139       0.5516221 0.6154995      0.7279810 1.551654       0.8453283 -3.476478      4.636405  
1 1 1 19  18 13 o 67.80074 1.276203  46.01744       1.726342  44.11285       2.344461  48.27323       2.551491  -3.043129      2.552406  
1 1 1 19  18 14 o 50.66508 1.161207  25.64315       1.173543  28.27952       1.725561  23.37439       1.600741  4.826069       2.322414  
1 1 1 19  18 15 f 30.60819 1.190874  9.384750       0.7265376 9.142302       0.9824190 9.677412       1.079369  -0.8620548     2.381747  
1 1 1 19  18 16 f 70.27290 1.306579  49.63942       1.836207  50.39331       2.599488  48.88865       2.594098  1.069832       2.613157  
1 1 1 19  18 17 o 22.71459 1.454545  5.273298       0.6498426 6.163952       0.9007201 4.306416       0.9384744 4.094955       2.909091  
1 1 1 19  18 18 o 17.03158 1.798532  2.857425       0.6047575 2.423418       0.7853735 3.489614       0.9478760 -3.095336      3.597063  
1 1 1 19  18 19 o 25.13477 1.344996  6.352358       0.6731205 6.298314       0.9083279 6.418189       1.002495  -0.2225952     2.689992  
1 1 1 19  18 20 o 32.12434 1.211088  10.41585       0.7743632 11.50274       1.089728  9.307198       1.100582  3.418989       2.422176  
1 1 1 19  18 21 o 25.60289 1.365120  6.626655       0.6933427 6.815738       0.9312173 6.391441       1.038621  0.8484459      2.730239  
1 1 1 19  18 22 o 20.25871 1.628764  4.180238       0.6527451 4.422872       0.8776105 3.879820       0.9765355 1.362640       3.257528  
1 1 1 19  18 23 o 54.60463 1.209146  29.94026       1.318308  29.07860       1.803502  30.92893       1.931845  -1.671661      2.418292  
1 1 1 19  18 24 o 7.788657 2.274204  0.1370461      0.5804260 -0.1347926     0.7864805 0.4621961      0.8601502 -1.730379      4.548409  
1 1 1 19  18 25 o 7.558187 2.265629  -0.4261813E-01 0.5899408 -0.3130347     0.7580791 0.3726107      0.9393807 -2.275822      4.531258  
1 1 1 19  18 26 o 22.86369 1.595006  5.213491       0.7237340 4.510233       0.9601715 6.138698       1.101313  -3.521917      3.190013  
1 1 1 19  18 27 f 44.47639 0.6660832 19.79875       0.5921028 20.67895       0.8555509 18.98962       0.8202816 1.894981       1.332166  
1 1 1 19  18 28 f 14.06089 0.6722074 1.966042       0.1882777 1.768597       0.2539977 2.206840       0.2805004 -1.555148      1.344415  
1 1 1 19  18 29 o 27.29222 0.6127323 7.475310       0.3339196 7.875454       0.4688936 7.063560       0.4756460 1.488209       1.225465  
1 1 1 19  18 30 o 32.24014 0.6318508 10.41658       0.4070009 11.06392       0.5805832 9.791044       0.5707161 1.972811       1.263702  
1 1 1 19  18 31 f 12.77215 0.8499943 1.673464       0.2123626 1.885026       0.2849751 1.409265       0.3184589 1.868672       1.699989  
1 1 1 19  18 32 o 26.19713 2.109708  8.988431       0.5172738 9.361528       0.5418957 5.160408       1.735769  8.724161       4.219416  
1 1 1 19  18 33 o 28.90770 0.7298146 8.403264       0.4209908 8.751101       0.5843179 8.027802       0.6070760 1.254877       1.459629  
1 1 1 19  18 34 o 21.01945 0.7567955 4.447676       0.3162089 4.550678       0.4271980 4.322855       0.4702727 0.5500603      1.513591  
1 1 1 19  18 35 o 22.23883 1.164836  0.000000       0.000000  ?              ?         4.968826       0.5180916 ?              ?         
1 1 1 19  18 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  19 0  o 17.23891 1.561432  2.959983       0.5358669 2.709370       0.7174115 3.276273       0.8059533 -1.634617      3.122863  
1 1 1 19  19 1  o 37.29864 1.089830  13.96231       0.8118418 14.69898       1.142214  13.21022       1.154113  1.996635       2.179660  
1 1 1 19  19 2  o 78.73610 1.374445  62.19410       2.163112  61.34301       3.000211  63.11545       3.121603  -1.113853      2.748890  
1 1 1 19  19 3  o 61.82753 1.207229  38.26456       1.490293  37.16499       2.038428  39.52715       2.184312  -1.897938      2.414458  
1 1 1 19  19 4  o 125.4431 1.976505  157.8072       4.938170  150.3965       6.631041  167.0343       7.399186  -6.522881      3.953010  
1 1 1 19  19 5  o 87.76198 1.486717  77.30374       2.608056  79.75005       3.766846  75.05124       3.614562  2.660042       2.973434  
1 1 1 19  19 6  o 40.84200 1.118128  16.73485       0.9123986 16.90686       1.265801  16.54883       1.316335  0.4427795      2.236256  
1 1 1 19  19 7  o 34.61254 1.169265  12.05573       0.8060326 13.27400       1.136953  10.82474       1.142874  3.538692       2.338530  
1 1 1 19  19 8  o 31.18071 1.679415  9.755192       1.047307  9.755192       1.047307  ?              ?         ?              ?         
1 1 1 19  19 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  19 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  19 11 o 41.34691 1.648179  0.000000       0.000000  ?              ?         17.16063       1.362942  ?              ?         
1 1 1 19  19 12 o 59.43383 1.209154  35.30175       1.432211  33.53120       1.929522  37.47412       2.137278  -3.291046      2.418308  
1 1 1 19  19 13 o 62.59015 1.244104  39.18150       1.553832  42.16325       2.291871  36.64505       2.113814  4.384895       2.488209  
1 1 1 19  19 14 o 41.67395 1.147026  16.92299       0.9406242 14.60865       1.206042  20.51689       1.502904  -7.051617      2.294052  
1 1 1 19  19 15 o 46.82136 1.159797  22.00948       1.085372  23.12871       1.550323  20.93357       1.520022  2.340164       2.319594  
1 1 1 19  19 16 o 27.93594 1.272492  7.703499       0.7042439 6.772074       0.9230329 9.000998       1.089424  -3.964018      2.544984  
1 1 1 19  19 17 o 33.27342 1.225854  11.13136       0.8132713 11.14324       1.108070  11.11748       1.197395  0.5246353E-01  2.451708  
1 1 1 19  19 18 o 17.19992 1.815066  2.998933       0.6211078 3.038211       0.8398685 2.951523       0.9227246 0.2718067      3.630132  
1 1 1 19  19 19 o 43.71267 1.183682  19.21764       1.034277  19.45901       1.444709  18.96387       1.481357  0.5722504      2.367363  
1 1 1 19  19 20 o 40.60657 1.213980  16.43617       0.9809670 15.13087       1.309679  18.10436       1.480582  -3.632576      2.427959  
1 1 1 19  19 21 o 18.15163 1.895549  3.456830       0.6536996 3.791598       0.8637363 3.007986       1.000130  2.443583       3.791099  
1 1 1 19  19 22 o 40.09643 1.211975  16.20457       0.9691621 16.62275       1.332075  15.73425       1.412678  1.122318       2.423950  
1 1 1 19  19 23 o 34.88416 1.270525  12.21594       0.8824952 11.84916       1.185932  12.67105       1.321045  -1.150990      2.541050  
1 1 1 19  19 24 o 20.53742 1.756855  4.187274       0.7113181 3.342445       0.9373572 5.334312       1.092219  -4.802927      3.513709  
1 1 1 19  19 25 o 53.81963 1.236444  29.03170       1.326734  27.28826       1.791644  31.14849       1.974180  -3.546478      2.472887  
1 1 1 19  19 26 o 16.62661 2.081457  2.941926       0.6616595 3.404237       0.8941980 2.382505       0.9836396 3.374594       4.162914  
1 1 1 19  19 27 o 32.46227 1.367274  10.53382       0.8828309 9.603009       1.176132  11.73513       1.336142  -3.243052      2.734548  
1 1 1 19  19 28 o 34.64830 1.060330  11.95603       0.5416472 11.89650       0.5912135 12.26705       1.351386  -0.3851700     2.120660  
1 1 1 19  19 29 o 28.44611 0.5995088 8.112830       0.3408965 8.354266       0.4799098 7.866937       0.4843214 0.8571301      1.199018  
1 1 1 19  19 30 o 15.10216 0.6837170 2.216591       0.2029113 1.754474       0.2634116 2.890996       0.3182137 -3.754437      1.367434  
1 1 1 19  19 31 o 38.38334 0.6604999 14.77092       0.5068058 15.40248       0.7218927 14.15711       0.7116799 1.620789       1.321000  
1 1 1 19  19 32 o 24.48238 0.6946941 5.933630       0.3376160 5.376423       0.4454796 6.685551       0.5174948 -2.661823      1.389388  
1 1 1 19  19 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  19 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  20 0  o 73.29386 1.323872  53.85681       1.938809  52.48652       2.672807  55.37854       2.816624  -1.958389      2.647744  
1 1 1 19  20 1  o 42.66388 1.106805  18.20102       0.9422582 17.54615       1.281641  18.97137       1.390061  -1.660831      2.213609  
1 1 1 19  20 2  o 67.68634 1.266208  45.98028       1.714023  46.59351       2.433168  45.37621       2.414926  0.8973541      2.532416  
1 1 1 19  20 3  o 9.735680 2.335764  0.8891447      0.5409442 0.8789054      0.7298465 0.9016262      0.8058021 -0.2519236     4.671529  
1 1 1 19  20 4  o 84.54758 1.460443  71.82736       2.468776  71.06042       3.441716  72.64021       3.543249  -0.9217072     2.920886  
1 1 1 19  20 5  o 57.77476 1.194163  33.24250       1.372740  31.12971       1.831587  35.95037       2.073545  -4.146767      2.388327  
1 1 1 19  20 6  o 30.85971 1.233746  9.274220       0.7472010 7.191140       0.9732100 12.26527       1.166178  -8.199888      2.467491  
1 1 1 19  20 7  o 11.33562 2.211293  1.223976       0.5425003 0.6376254      0.7095900 2.048821       0.8416178 -5.235279      4.422586  
1 1 1 19  20 8  o 18.71618 1.667411  3.572117       0.6163120 3.909304       0.8359018 3.170485       0.9122935 1.986364       3.334822  
1 1 1 19  20 9  o 44.64526 1.146882  20.00800       1.023662  19.97875       1.427501  20.03897       1.468733  -0.6254578E-01 2.293765  
1 1 1 19  20 10 o 21.34111 1.972172  4.580748       0.8417669 4.580748       0.8417669 ?              ?         ?              ?         
1 1 1 19  20 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  20 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  20 13 f 32.19891 1.871197  0.000000       0.000000  ?              ?         10.42771       1.205010  ?              ?         
1 1 1 19  20 14 o 104.5089 1.723180  110.2129       3.598944  113.4723       5.216778  107.2530       4.971432  2.923935       3.446360  
1 1 1 19  20 15 o 33.10609 1.235817  10.83253       0.8111596 9.510910       1.067075  12.64167       1.248470  -4.699715      2.471634  
1 1 1 19  20 16 o 47.35905 1.196718  22.51016       1.131085  21.97872       1.542467  23.12832       1.663582  -1.194405      2.393436  
1 1 1 19  20 17 o 19.68083 1.724289  3.813868       0.6680169 3.032889       0.8734276 4.914554       1.036905  -4.742338      3.448577  
1 1 1 19  20 18 o 15.86571 2.126170  2.646500       0.6545315 3.031592       0.8991961 2.212509       0.9545792 2.862518       4.252340  
1 1 1 19  20 19 o 86.39977 1.512502  75.22702       2.609920  73.15427       3.579293  77.58030       3.813828  -2.509842      3.025005  
1 1 1 19  20 20 o 41.47035 1.226475  17.34256       1.014828  18.03804       1.406669  16.58768       1.465504  1.759258       2.452951  
1 1 1 19  20 21 o 20.60840 1.702203  4.236430       0.6921123 3.932347       0.8956145 4.687249       1.090499  -1.779837      3.404406  
1 1 1 19  20 22 o 36.13701 1.281656  13.23459       0.9195760 14.94690       1.294092  11.48807       1.306957  4.788486       2.563313  
1 1 1 19  20 23 o 37.02490 1.290230  13.83307       0.9538807 14.77852       1.352388  12.89705       1.345620  2.539272       2.580461  
1 1 1 19  20 24 o 21.58225 1.730727  4.680104       0.7422501 4.327261       0.9838717 5.146200       1.130798  -1.852259      3.461455  
1 1 1 19  20 25 o 30.41044 1.383427  9.347862       0.8398302 9.490067       1.158076  9.190114       1.219719  0.5087643      2.766854  
1 1 1 19  20 26 o 30.08631 1.422045  9.110448       0.8530480 8.636928       1.152545  9.684102       1.268569  -1.708069      2.844089  
1 1 1 19  20 27 o 43.56507 1.275200  19.14559       1.110491  18.90636       1.541649  19.40358       1.600974  -0.5555000     2.550399  
1 1 1 19  20 28 o 54.23972 1.300142  29.63356       1.407758  32.22565       2.052436  27.33072       1.934534  4.478687       2.600284  
1 1 1 19  20 29 f 30.71004 1.723373  9.432894       1.023738  10.27958       1.706846  8.957170       1.279413  1.991011       3.446746  
1 1 1 19  20 30 o 61.61748 0.9577659 38.22027       1.172987  37.92837       1.755714  38.45561       1.576438  -0.4668961     1.915532  
1 1 1 19  20 31 f 51.84190 1.279201  0.000000       0.000000  ?              ?         27.02747       1.326325  ?              ?         
1 1 1 19  20 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  20 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  21 0  o 24.70161 1.308517  6.163998       0.6347693 7.685174       0.9138137 4.745584       0.8824086 5.946623       2.617035  
1 1 1 19  21 1  o 51.54523 1.150990  26.65941       1.186144  26.65260       1.655596  26.66660       1.700217  -0.8911133E-02 2.301980  
1 1 1 19  21 2  f 94.49927 1.580674  89.70786       2.983446  93.38916       4.359312  86.46444       4.091838  3.624229       3.161348  
1 1 1 19  21 3  o 41.03094 1.124995  16.88973       0.9218610 16.81514       1.268775  16.97314       1.341696  -0.1845512     2.249990  
1 1 1 19  21 4  o 54.04425 1.172076  29.25786       1.265339  31.26495       1.835951  27.44194       1.746330  3.526325       2.344151  
1 1 1 19  21 5  o 15.94254 1.905323  2.570463       0.5910674 2.222021       0.7869490 3.021443       0.8952816 -2.710349      3.810646  
1 1 1 19  21 6  o 41.76029 1.154358  17.36491       0.9591264 16.16677       1.279259  18.90305       1.449445  -3.255581      2.308717  
1 1 1 19  21 7  o 25.89366 1.328606  6.708947       0.6847053 6.442315       0.9168805 7.045114       1.029517  -1.148129      2.657213  
1 1 1 19  21 8  o 40.78680 1.180722  16.70617       0.9627463 16.67749       1.341544  16.73662       1.382434  -0.6723404E-01 2.361444  
1 1 1 19  21 9  o 38.81958 1.189893  15.08700       0.9204408 17.01924       1.341031  13.36593       1.265638  4.695389       2.379786  
1 1 1 19  21 10 o 61.39962 1.247352  37.89666       1.531583  38.44306       2.163203  37.34743       2.168778  0.8930244      2.494703  
1 1 1 19  21 11 o 14.77635 2.176576  2.299838       0.6188608 2.314422       0.8280297 2.281383       0.9314780 0.1750526      4.353152  
1 1 1 19  21 12 o 31.97828 1.252465  10.12240       0.7938154 9.117843       1.040784  11.51951       1.227406  -3.725569      2.504931  
1 1 1 19  21 13 o 29.16313 2.934028  8.640979       1.711309  8.640979       1.711309  ?              ?         ?              ?         
1 1 1 19  21 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  21 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  21 16 o 42.93281 1.247192  18.54124       1.068644  20.20779       1.530677  16.95653       1.492622  3.779751       2.494383  
1 1 1 19  21 17 o 64.05650 1.300879  41.32425       1.666319  41.68018       2.341727  40.95917       2.371618  0.5684624      2.601759  
1 1 1 19  21 18 o 42.91129 1.222748  18.35929       1.043887  16.91313       1.391854  20.21861       1.578200  -3.817848      2.445496  
1 1 1 19  21 19 o 25.18621 1.586575  6.491682       0.7875241 7.609977       1.100641  5.318575       1.127292  4.555471       3.173150  
1 1 1 19  21 20 o 52.99503 1.255055  28.28595       1.328458  28.08393       1.829113  28.51147       1.932603  -0.3813286     2.510110  
1 1 1 19  21 21 o 30.25122 1.411767  9.373099       0.8412436 10.81391       1.162799  7.790802       1.218554  5.010324       2.823534  
1 1 1 19  21 22 o 26.29657 1.482920  6.990921       0.7763059 6.989600       1.048840  6.992520       1.154471  0.2208328E-01  2.965841  
1 1 1 19  21 23 f 10.23371 2.555307  0.8599067      0.6631800 0.4393704      0.8731837 1.433158       1.019475  -3.230332      5.110615  
1 1 1 19  21 24 f 12.17575 2.182772  1.428334       0.6894701 2.868207       0.9301108 -0.3279033     1.027222  9.170164       4.365543  
1 1 1 19  21 25 o 14.65082 2.453024  2.348032       0.7160885 2.877330       0.9772871 1.734398       1.052269  3.688829       4.906048  
1 1 1 19  21 26 o 32.92450 1.425031  11.06824       0.9297766 12.06787       1.273388  9.926730       1.360762  3.277800       2.850062  
1 1 1 19  21 27 o 10.77139 2.828159  0.9852308      0.8088590 0.9368477      1.228950  1.022208       1.074369  0.1342354      5.656317  
1 1 1 19  21 28 o 17.95018 4.692780  0.000000       0.000000  ?              ?         3.570502       1.703565  ?              ?         
1 1 1 19  21 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  21 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  21 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  21 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  22 0  f 49.18031 1.156952  24.28384       1.137678  25.01856       1.613674  23.55771       1.604207  1.484051       2.313904  
1 1 1 19  22 1  o 28.09809 1.296915  7.969125       0.7223271 9.269483       1.028270  6.702338       1.014910  4.566380       2.593829  
1 1 1 19  22 2  o 15.27464 1.995796  2.471652       0.5851706 3.095541       0.8100771 1.790854       0.8462178 4.499081       3.991592  
1 1 1 19  22 3  o 28.53894 1.285142  8.203756       0.7295930 9.266953       1.039345  7.170878       1.024418  3.670252       2.570284  
1 1 1 19  22 4  o 49.66879 1.171416  24.77107       1.163025  25.90770       1.657378  23.66841       1.632438  2.250999       2.342831  
1 1 1 19  22 5  o 63.62994 1.264294  40.57118       1.605136  38.99640       2.181384  42.43068       2.370386  -2.671539      2.528589  
1 1 1 19  22 6  o 28.73580 1.287828  8.319478       0.7379794 9.033072       1.042467  7.602606       1.044857  2.489357       2.575655  
1 1 1 19  22 7  f 23.91853 1.474151  5.765023       0.7042044 5.800533       0.9722604 5.725838       1.021342  0.1648197      2.948303  
1 1 1 19  22 8  o 60.74677 1.256592  36.84592       1.520947  40.25703       2.273658  34.08325       2.046170  5.046165       2.513184  
1 1 1 19  22 9  o 47.82240 1.192390  22.98112       1.139989  22.77352       1.586556  23.20270       1.639103  -0.4406967     2.384781  
1 1 1 19  22 10 o 41.52700 1.212321  17.18892       1.001611  15.91938       1.335513  18.82100       1.514247  -3.465004      2.424642  
1 1 1 19  22 11 o 21.17114 1.602538  4.477551       0.6748307 4.037771       0.8999487 5.042480       1.019994  -2.346832      3.205077  
1 1 1 19  22 12 o 58.17384 1.248371  33.92244       1.448331  32.50851       1.961253  35.61837       2.147955  -2.641102      2.496742  
1 1 1 19  22 13 f 72.16400 1.371667  52.34373       1.976471  50.46618       2.702991  54.50114       2.897434  -2.758385      2.743334  
1 1 1 19  22 14 o 36.72514 1.250375  13.55272       0.9160283 13.29434       1.246242  13.85636       1.351010  -0.7461777     2.500751  
1 1 1 19  22 15 o 21.01744 2.344097  4.467611       0.9853385 4.467611       0.9853385 ?              ?         ?              ?         
1 1 1 19  22 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  22 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  22 18 o 24.63801 1.559352  6.139513       0.7677245 6.076029       1.061562  6.209126       1.111620  -0.2566299     3.118704  
1 1 1 19  22 19 o 12.18035 2.386760  1.560939       0.6822928 2.498946       0.9129689 0.3743146      1.026856  6.381305       4.773520  
1 1 1 19  22 20 o 43.31937 1.301600  18.94174       1.126163  20.06015       1.592085  17.82179       1.593184  2.583805       2.603200  
1 1 1 19  22 21 f 43.05240 1.300478  18.72571       1.117969  19.50948       1.560983  17.90030       1.601905  1.878540       2.600955  
1 1 1 19  22 22 o 22.62411 1.969055  5.278906       0.8791445 4.830329       1.319654  5.636853       1.178827  -1.835423      3.938110  
1 1 1 19  22 23 f 11.16836 2.783011  1.073813       0.7907739 1.694059       1.180380  0.5687760      1.065126  3.240873       5.566021  
1 1 1 19  22 24 o 35.57853 2.091196  0.000000       0.000000  ?              ?         12.82212       1.488034  ?              ?         
1 1 1 19  22 25 o 11.68015 4.684519  0.000000       0.000000  ?              ?         0.8446162      1.665166  ?              ?         
1 1 1 19  22 26 o 37.40636 3.069426  0.000000       0.000000  ?              ?         14.40498       2.296321  ?              ?         
1 1 1 19  22 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  22 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  22 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  22 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  23 0  o 61.58642 1.245511  37.77724       1.526892  41.95860       2.297692  34.47045       2.043323  6.042522       2.491021  
1 1 1 19  23 1  o 18.63789 1.705208  3.526067       0.6320249 3.865615       0.8812029 3.166353       0.9069912 1.881086       3.410416  
1 1 1 19  23 2  f 37.82348 1.171393  14.40300       0.8835505 15.62689       1.247518  13.17118       1.251550  3.246849       2.342786  
1 1 1 19  23 3  o 35.11591 1.212931  12.32955       0.8491374 11.61273       1.146127  13.20177       1.264271  -2.244923      2.425862  
1 1 1 19  23 4  f 28.26621 1.327551  8.021130       0.7486838 7.784883       1.018104  8.299324       1.104799  -0.8954773     2.655103  
1 1 1 19  23 5  o 76.48576 1.402459  58.92515       2.145225  59.48213       3.027277  58.36334       3.040378  0.7337494      2.804918  
1 1 1 19  23 6  f 41.44992 1.231444  17.30208       1.019320  18.23181       1.433213  16.35043       1.450008  2.272198       2.462887  
1 1 1 19  23 7  o 47.63539 1.224376  22.72796       1.162388  25.58899       1.699031  20.21052       1.593746  5.628128       2.448752  
1 1 1 19  23 8  o 77.37872 1.423276  60.31801       2.201280  59.71314       3.053661  60.97236       3.176108  -0.7899857     2.846552  
1 1 1 19  23 9  o 65.10471 1.311916  42.66326       1.707757  42.40074       2.383870  42.94002       2.447659  -0.4026566     2.623831  
1 1 1 19  23 10 o 29.23350 1.378667  8.646249       0.8026140 9.179136       1.109175  8.060526       1.162862  1.923670       2.757334  
1 1 1 19  23 11 o 71.66293 1.372773  51.69711       1.965647  50.53325       2.709878  52.98944       2.855528  -1.684624      2.745547  
1 1 1 19  23 12 o 18.93232 1.827048  3.604889       0.6884533 3.349586       0.9198900 3.929973       1.038018  -1.501156      3.654096  
1 1 1 19  23 13 o 31.82937 1.329412  10.21413       0.8434368 10.29622       1.149322  10.11832       1.241617  0.2978687      2.658824  
1 1 1 19  23 14 o 24.92174 1.596032  6.347784       0.7863382 7.241464       1.093049  5.389144       1.132078  3.726074       3.192064  
1 1 1 19  23 15 o 21.70590 1.690790  4.666650       0.7233022 3.722309       0.9514573 5.959612       1.113314  -5.107527      3.381579  
1 1 1 19  23 16 o 22.40413 1.723754  5.135072       0.7649226 5.494276       1.037289  4.706903       1.132498  1.785812       3.447509  
1 1 1 19  23 17 o 37.72113 1.682366  14.37212       1.166731  14.28349       1.396687  14.57680       2.122455  -0.1777229     3.364732  
1 1 1 19  23 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  23 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  23 20 o 31.08846 2.275318  0.000000       0.000000  ?              ?         9.802989       1.414723  ?              ?         
1 1 1 19  23 21 o 29.19471 3.394684  0.000000       0.000000  ?              ?         8.800722       1.982136  ?              ?         
1 1 1 19  23 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  23 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  23 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  23 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  23 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  23 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  23 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  24 0  o 67.58545 1.313817  45.90132       1.773609  44.62752       2.435135  47.34052       2.588398  -1.980370      2.627634  
1 1 1 19  24 1  o 29.25658 1.354969  8.570558       0.7880847 9.999185       1.158702  7.340799       1.075035  4.528072       2.709938  
1 1 1 19  24 2  o 20.82322 1.587812  4.371418       0.6589124 3.883895       0.9131311 4.901055       0.9517542 -2.434099      3.175624  
1 1 1 19  24 3  o 44.73817 1.192971  20.11186       1.066574  19.82380       1.474857  20.42767       1.544263  -0.6636238     2.385941  
1 1 1 19  24 4  o 55.87712 1.234348  31.41204       1.378978  31.63797       1.929578  31.17620       1.971434  0.4202805      2.468696  
1 1 1 19  24 5  o 25.34720 1.489543  6.483582       0.7533969 6.522884       1.033068  6.438931       1.101112  0.1796837      2.979086  
1 1 1 19  24 6  o 12.93669 2.267772  1.798718       0.6412465 2.612741       0.8581106 0.7692959      0.9649880 6.224258       4.535545  
1 1 1 19  24 7  o 34.91451 1.294639  12.31205       0.9010860 13.21689       1.260350  11.36592       1.288782  2.656048       2.589278  
1 1 1 19  24 8  o 41.53212 1.245472  17.31371       1.032531  18.90534       1.499895  15.88002       1.423534  3.628239       2.490945  
1 1 1 19  24 9  o 51.68879 1.263909  26.91141       1.305816  27.73274       1.836512  26.07159       1.857065  1.610714       2.527819  
1 1 1 19  24 10 o 80.75544 1.483774  65.83486       2.396175  65.64753       3.360953  66.02851       3.417151  -0.2230835     2.967547  
1 1 1 19  24 11 o 31.77129 1.397444  10.07932       0.8829156 9.207368       1.174740  11.21129       1.338485  -3.116549      2.794888  
1 1 1 19  24 12 o 45.26289 1.275138  20.41810       1.146819  18.69115       1.519561  22.70337       1.748024  -4.382336      2.550277  
1 1 1 19  24 13 o 16.24190 2.170968  2.730904       0.6951419 1.038459       0.9266459 4.909159       1.051262  -11.51884      4.341936  
1 1 1 19  24 14 o 24.23799 1.680915  5.946164       0.8136564 5.757113       1.114958  6.161548       1.190079  -0.8120346     3.361830  
1 1 1 19  24 15 o 58.42359 1.573709  34.19874       1.752009  35.73669       2.997353  33.40057       2.159295  1.767487       3.147418  
1 1 1 19  24 16 o 28.92819 1.802187  8.624724       1.014144  7.956723       1.597470  9.075705       1.312569  -2.026289      3.604374  
1 1 1 19  24 17 o 52.83485 1.936843  0.000000       0.000000  ?              ?         28.19776       2.046656  ?              ?         
1 1 1 19  24 18 o 26.20555 3.485829  0.000000       0.000000  ?              ?         7.101495       1.826961  ?              ?         
1 1 1 19  24 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  24 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  24 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  24 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  24 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  24 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  24 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  24 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 0  o 39.28958 1.259917  15.52139       0.9893304 16.36515       1.421532  14.72880       1.377744  2.074505       2.519834  
1 1 1 19  25 1  o 24.75810 1.495245  6.198040       0.7385359 6.400445       1.019912  5.974916       1.070844  0.8704185      2.990490  
1 1 1 19  25 2  o 56.77475 1.265048  32.37709       1.434290  31.24129       1.963898  33.67539       2.099687  -2.118561      2.530095  
1 1 1 19  25 3  o 15.54580 2.183263  2.593411       0.6612013 3.576727       0.9287726 1.582923       0.9415174 6.495971       4.366527  
1 1 1 19  25 4  o 67.35847 1.337504  45.62043       1.799264  44.11771       2.465799  47.33170       2.631349  -2.353050      2.675008  
1 1 1 19  25 5  o 15.79015 2.224061  2.617342       0.6768277 2.320672       0.9237450 2.961219       0.9945274 -1.994240      4.448121  
1 1 1 19  25 6  o 75.93359 1.428245  58.14112       2.167445  57.23282       2.999076  59.13422       3.135963  -1.221436      2.856491  
1 1 1 19  25 7  o 22.25974 1.790911  5.136934       0.7587094 7.106885       1.092346  3.300762       1.054603  8.538832       3.581822  
1 1 1 19  25 8  o 28.70374 1.508446  8.387466       0.8597113 9.202584       1.190222  7.498265       1.243134  2.982311       3.016891  
1 1 1 19  25 9  o 53.54398 1.285930  28.84406       1.373966  28.06502       1.871144  29.75561       2.024010  -1.544331      2.571861  
1 1 1 19  25 10 o 17.29792 2.151022  3.118978       0.7165971 3.170306       0.9430940 3.048863       1.102263  0.7023373      4.302044  
1 1 1 19  25 11 o 13.07328 2.588869  1.783267       0.7045283 1.469118       0.9420416 2.181984       1.061291  -2.381873      5.177739  
1 1 1 19  25 12 o 36.53680 1.359077  13.45478       0.9891899 13.26906       1.336532  13.67973       1.470962  -0.5294876     2.718154  
1 1 1 19  25 13 o 41.14970 1.969614  0.000000       0.000000  ?              ?         17.10295       1.620981  ?              ?         
1 1 1 19  25 14 o 37.14085 2.634050  0.000000       0.000000  ?              ?         14.05269       1.956617  ?              ?         
1 1 1 19  25 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  25 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 0  o 27.79591 1.438041  7.767665       0.7970902 7.419066       1.078435  8.187405       1.183370  -1.357954      2.876081  
1 1 1 19  26 1  o 16.86946 2.120345  2.940221       0.6987225 2.642445       0.9614041 3.273592       1.017244  -2.113873      4.240690  
1 1 1 19  26 2  o 49.51952 1.251759  24.60567       1.234836  23.65770       1.661567  25.77518       1.845528  -2.099251      2.503518  
1 1 1 19  26 3  o 36.67572 1.295817  13.45090       0.9445595 12.63501       1.254062  14.52063       1.435956  -2.530025      2.591634  
1 1 1 19  26 4  o 42.12805 1.291927  17.87806       1.086435  19.46149       1.561484  16.39224       1.512585  3.631729       2.583853  
1 1 1 19  26 5  o 61.74471 1.338822  38.41341       1.651246  37.50220       2.269150  39.43905       2.407407  -1.535843      2.677643  
1 1 1 19  26 6  o 12.53643 2.602243  1.685268       0.7076105 2.002380       0.9207811 1.227849       1.105879  2.307517       5.204485  
1 1 1 19  26 7  o 17.18297 2.660439  2.991432       0.8516724 3.805414       1.485682  2.593014       1.039413  3.198841       5.320877  
1 1 1 19  26 8  o 55.89731 1.858183  0.000000       0.000000  ?              ?         31.51708       2.077349  ?              ?         
1 1 1 19  26 9  f 10.04275 3.715705  0.000000       0.000000  ?              ?         0.8393754      0.9885900 ?              ?         
1 1 1 19  26 10 o 37.22345 2.478609  0.000000       0.000000  ?              ?         14.08250       1.845248  ?              ?         
1 1 1 19  26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  26 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 0  o 47.36234 1.614716  22.34564       1.429000  23.78783       2.553634  21.68813       1.724250  1.982899       3.229432  
1 1 1 19  27 1  o 24.40086 2.254580  5.934006       1.084342  7.469415       1.698741  4.878211       1.408656  5.194094       4.509160  
1 1 1 19  27 2  o 43.65118 1.810682  19.41430       1.576257  18.58938       2.285213  20.16298       2.177047  -1.837265      3.621364  
1 1 1 19  27 3  o 40.61754 2.440364  0.000000       0.000000  ?              ?         16.74809       1.982431  ?              ?         
1 1 1 19  27 4  o 38.67011 2.530409  0.000000       0.000000  ?              ?         15.20210       1.957024  ?              ?         
1 1 1 19  27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  27 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  28 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  29 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  30 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  30 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  30 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  30 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  30 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  30 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  30 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  30 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  30 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  31 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  31 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 19  31 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  0  0  o 106.9209 1.649430  114.5193       3.522999  113.4666       4.935679  115.6126       5.030213  -0.000000      0.000000  
1 1 1 20  0  1  o 170.1388 2.543867  290.1623       8.646776  288.0934       12.12956  292.3000       12.32967  -0.000000      0.000000  
1 1 1 20  0  2  o 109.0067 1.678083  119.0445       3.654229  118.2709       5.125844  119.8441       5.210927  -0.000000      0.000000  
1 1 1 20  0  3  o 28.45549 0.8264800 8.108233       0.4676656 7.658278       0.6368890 8.634727       0.6889307 -0.000000      0.000000  
1 1 1 20  0  4  o 125.5620 1.909990  157.9604       4.790409  156.2559       6.690267  159.7538       6.862334  -0.000000      0.000000  
1 1 1 20  0  5  o 97.02193 1.518369  94.29279       2.942461  93.10707       4.110153  95.53940       4.214339  -0.000000      0.000000  
1 1 1 20  0  6  o 224.6932 3.335406  506.7553       14.97196  502.2926       20.96122  511.4035       21.39246  -0.000000      0.000000  
1 1 1 20  0  7  o 25.38465 0.8391350 6.472978       0.4235559 6.167994       0.5828602 6.814245       0.6165560 -0.000000      0.000000  
1 1 1 20  0  8  o 144.4107 2.179346  208.9882       6.285253  205.4765       8.733868  212.7604       9.052048  -0.000000      0.000000  
1 1 1 20  0  9  o 88.22258 1.396876  77.96704       2.461284  76.85281       3.432071  79.14686       3.531626  -0.000000      0.000000  
1 1 1 20  0  10 o 15.18055 1.093808  2.395509       0.3227862 2.641413       0.4467993 2.127052       0.4668370 -0.000000      0.000000  
1 1 1 20  0  11 o 33.13550 0.8269861 11.02325       0.5465525 11.09411       0.7736511 10.95264       0.7722349 -0.000000      0.000000  
1 1 1 20  0  12 o 19.80489 0.9080628 3.963419       0.3561220 3.725882       0.4906145 4.227952       0.5177450 -0.000000      0.000000  
1 1 1 20  0  13 o 53.40172 0.9734730 28.58456       1.038138  28.29529       1.461922  28.87880       1.474456  -0.000000      0.000000  
1 1 1 20  0  14 o 30.92959 0.8243488 9.601392       0.5081156 9.913285       0.7322805 9.311789       0.7056283 -0.000000      0.000000  
1 1 1 20  0  15 o 35.10880 0.8394886 12.37203       0.5879387 12.14410       0.8280816 12.60374       0.8349019 -0.000000      0.000000  
1 1 1 20  0  16 o 155.4001 2.340423  242.5777       7.266605  241.8777       10.24657  243.2859       10.30676  -0.000000      0.000000  
1 1 1 20  0  17 o 105.9736 1.646326  112.6116       3.484597  110.7972       4.857683  114.5349       5.001389  -0.000000      0.000000  
1 1 1 20  0  18 o 83.63646 1.340133  70.03835       2.236321  72.08569       3.261639  68.22201       3.072131  -0.000000      0.000000  
1 1 1 20  0  19 o 104.1759 1.620359  108.5935       3.364611  112.9513       4.964006  104.8900       4.576177  -0.000000      0.000000  
1 1 1 20  0  20 o 61.46101 1.077270  37.30577       1.310326  33.82607       1.717105  42.15717       2.027493  -0.000000      0.000000  
1 1 1 20  0  21 o 6.384459 2.045309  0.5589016      0.2913118 0.8209101      0.4475992 0.3663639      0.3836980 -0.000000      0.000000  
1 1 1 20  0  22 o 100.3004 2.230743  100.9642       4.469967  100.9642       4.469967  100.9642       4.469967  -0.000000      0.000000  
1 1 1 20  0  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  0  24 o 35.28152 1.029307  12.49411       0.6821883 12.61479       1.182975  12.43398       0.8350164 -0.000000      0.000000  
1 1 1 20  0  25 o 51.98899 0.9779139 26.90692       1.009788  29.06929       1.527167  25.22708       1.346035  -0.000000      0.000000  
1 1 1 20  0  26 o 22.35165 0.9249983 5.053168       0.4098510 5.034478       0.5965277 5.069879       0.5640670 -0.000000      0.000000  
1 1 1 20  0  27 f 17.21382 1.064689  3.007240       0.3587212 3.517434       0.5345765 2.589315       0.4838281 -0.000000      0.000000  
1 1 1 20  0  28 o 51.14385 0.9863660 26.23643       1.006918  25.33300       1.405892  27.18795       1.442820  -0.000000      0.000000  
1 1 1 20  0  29 o 22.13436 0.9461411 4.954601       0.4137945 5.008646       0.6164030 4.910265       0.5582906 -0.000000      0.000000  
1 1 1 20  0  30 o 18.76381 1.027580  3.534245       0.3780056 4.107735       0.5785984 3.107198       0.4992887 -0.000000      0.000000  
1 1 1 20  0  31 o 46.03838 0.9481167 21.19863       0.8696153 19.70895       1.188134  22.91740       1.276231  -0.000000      0.000000  
1 1 1 20  0  32 f 68.94412 1.184113  47.67824       1.629442  45.98040       2.253288  49.53930       2.359111  -0.000000      0.000000  
1 1 1 20  0  33 o 5.327071 1.955167  0.2205611      0.3079523 0.7936714      0.4968671 -0.1369099     0.3924113 -0.000000      0.000000  
1 1 1 20  0  34 o 9.818271 1.960675  1.145840       0.3387001 1.599317       0.5256640 0.8239312      0.4428904 -0.000000      0.000000  
1 1 1 20  0  35 o 16.68266 1.187608  2.879555       0.3845496 2.845611       0.5863497 2.905174       0.5094029 -0.000000      0.000000  
1 1 1 20  0  36 o 23.91155 1.029351  5.846134       0.4797804 5.500773       0.7381121 6.098815       0.6313519 -0.000000      0.000000  
1 1 1 20  0  37 o 17.83357 1.894609  3.300613       0.6622396 3.300613       0.6622396 3.300613       0.6622396 -0.000000      0.000000  
1 1 1 20  0  38 o 23.95552 1.388405  5.599763       0.6127520 5.146760       0.7316537 6.663788       1.121324  -0.000000      0.000000  
1 1 1 20  0  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  0  40 o 40.96609 0.9827435 16.89300       0.8012994 16.85154       1.172755  16.92930       1.097411  -0.000000      0.000000  
1 1 1 20  0  41 f 28.31795 1.042621  8.226035       0.5781521 7.156106       0.8550190 9.127335       0.7847535 -0.000000      0.000000  
1 1 1 20  0  42 o 12.63705 1.955394  1.766315       0.4257905 2.148652       0.6842282 1.524685       0.5439436 -0.000000      0.000000  
1 1 1 20  0  43 o 8.302722 2.289048  0.8639839      0.3802851 1.445845       0.6284398 0.5278262      0.4776672 -0.000000      0.000000  
1 1 1 20  0  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  1  0  o 70.84602 0.8261172 49.70795       1.162494  46.22573       1.538239  54.34522       1.775117  -5.727997      1.652234  
1 1 1 20  1  1  o 154.1342 1.633610  237.6839       5.033903  233.8874       7.001323  241.7468       7.242846  -2.544510      3.267220  
1 1 1 20  1  2  o 123.8696 1.330518  153.5373       3.296173  154.0043       4.675433  153.0757       4.647677  0.3743515      2.661036  
1 1 1 20  1  3  o 83.18689 0.9374165 69.02648       1.556331  66.33664       2.119243  72.17543       2.292977  -3.507103      1.874833  
1 1 1 20  1  4  o 106.2921 1.158894  113.0380       2.463454  113.6628       3.508329  112.4303       3.459877  0.5788956      2.317788  
1 1 1 20  1  5  o 83.40331 0.9391662 69.52125       1.565436  67.92995       2.164196  71.26746       2.267110  -1.999290      1.878332  
1 1 1 20  1  6  o 154.2875 1.635947  238.3293       5.047887  236.9843       7.097641  239.7060       7.180664  -0.8797760     3.271894  
1 1 1 20  1  7  f 82.20969 0.9304487 67.17518       1.522203  63.50029       2.033770  71.85606       2.295324  -5.077675      1.860897  
1 1 1 20  1  8  o 98.59070 1.084838  97.26252       2.139053  97.65260       3.037058  96.87852       3.013238  0.3920593      2.169676  
1 1 1 20  1  9  o 90.36707 1.004838  81.67986       1.815511  80.47238       2.529477  82.96281       2.607334  -1.376251      2.009675  
1 1 1 20  1  10 o 36.95909 0.5935035 13.50757       0.4362017 11.99052       0.5824969 15.44445       0.6581775 -4.671593      1.187007  
1 1 1 20  1  11 o 39.01499 0.5958219 15.13003       0.4633572 14.05012       0.6249678 16.44828       0.6904932 -3.072395      1.191644  
1 1 1 20  1  12 o 91.04632 1.013422  82.48575       1.837268  78.18137       2.462827  87.88718       2.758881  -5.321579      2.026845  
1 1 1 20  1  13 o 12.74075 0.8670447 1.634860       0.2186302 1.912055       0.3098711 1.360089       0.3085130 2.166106       1.734089  
1 1 1 20  1  14 o 51.69283 0.6748940 26.36264       0.6919150 23.98320       0.9094812 29.63219       1.066108  -5.460438      1.349788  
1 1 1 20  1  15 o 49.80038 0.6611465 24.80478       0.6584011 25.19773       0.9415019 24.42870       0.9210739 0.7716255      1.322293  
1 1 1 20  1  16 o 33.29108 0.6451303 11.14632       0.4250428 9.219155       0.5968237 13.12974       0.6054722 -5.873098      1.290261  
1 1 1 20  1  17 o 54.79704 0.6990143 29.94597       0.7644247 28.59697       1.040147  31.53028       1.127215  -2.673805      1.398029  
1 1 1 20  1  18 o 50.62679 0.6690769 25.46675       0.6745279 23.80325       0.9039144 27.55714       1.013278  -3.703999      1.338154  
1 1 1 20  1  19 f 35.01229 0.5949406 12.07810       0.4133476 10.71237       0.5453426 13.92209       0.6336756 -4.581081      1.189881  
1 1 1 20  1  20 o 71.43246 1.033954  51.11137       1.387655  51.09861       2.420134  51.11762       1.693729  -0.5268860E-01 2.067908  
1 1 1 20  1  21 o 43.08779 0.8977622 18.48107       0.7713729 16.88202       1.047154  20.37824       1.140598  -4.052437      1.795524  
1 1 1 20  1  22 o 21.10553 0.7781610 4.486295       0.3105413 4.544135       0.3826924 4.374776       0.5313830 0.4081306      1.556322  
1 1 1 20  1  23 o 65.53728 0.7906340 42.98846       1.036080  42.31343       1.446331  43.69997       1.484907  -1.055717      1.581268  
1 1 1 20  1  24 o 13.03307 1.188457  1.691983       0.3086572 1.570097       0.4154938 1.842075       0.4610695 -1.039617      2.376914  
1 1 1 20  1  25 o 106.5923 1.516654  113.2920       3.135674  117.8579       5.145741  110.5950       3.954771  3.266739       3.033308  
1 1 1 20  1  26 o 13.62689 0.8904589 1.847005       0.2364720 2.482295       0.3526399 1.327908       0.3187640 4.233197       1.780918  
1 1 1 20  1  27 o 42.13499 0.6398848 17.59480       0.5364454 19.68603       0.8094817 15.95720       0.7163274 4.419323       1.279770  
1 1 1 20  1  28 o 19.47011 0.7110213 3.809499       0.2729389 4.663800       0.3935856 3.018073       0.3788253 4.225222       1.422043  
1 1 1 20  1  29 o 25.57956 0.6340265 6.553373       0.3242052 6.636746       0.4532695 6.466040       0.4639063 0.3343964      1.268053  
1 1 1 20  1  30 o 35.28014 0.6268847 12.45784       0.4422075 12.25666       0.6165394 12.67099       0.6346036 -0.5858879     1.253769  
1 1 1 20  1  31 o 16.03527 0.8148286 2.587683       0.2595213 2.948342       0.3680988 2.231227       0.3659478 2.235835       1.629657  
1 1 1 20  1  32 o 46.33073 0.6718315 21.43194       0.6213733 22.66930       0.9134052 20.36601       0.8477702 2.479771       1.343663  
1 1 1 20  1  33 o 24.91122 0.6651307 6.213716       0.3312836 6.431540       0.4736164 6.005047       0.4635570 0.8550968      1.330261  
1 1 1 20  1  34 o 28.41681 0.6489807 8.052967       0.3676894 9.003736       0.5386837 7.223597       0.5031189 3.128826       1.297961  
1 1 1 20  1  35 o 30.59499 0.6517207 9.370359       0.3986172 9.099346       0.5540805 9.661109       0.5739017 -0.9160423     1.303441  
1 1 1 20  1  36 f 9.906066 1.719784  1.066144       0.3305948 1.169968       0.4098555 0.8727966      0.5593067 1.375883       3.439568  
1 1 1 20  1  37 o 42.11964 0.8629191 17.68060       0.6692758 18.12995       1.219036  17.48671       0.8007523 0.7009239      1.725838  
1 1 1 20  1  38 o 50.81029 1.033847  25.94984       1.048908  26.18926       1.530504  25.73781       1.440355  0.4268036      2.067693  
1 1 1 20  1  39 o 14.73120 1.000080  2.181643       0.2933709 1.918895       0.4081261 2.462560       0.4219999 -1.842525      2.000161  
1 1 1 20  1  40 f 39.09977 0.9684246 15.40382       0.7551534 15.77550       1.037306  14.98472       1.101477  1.024963       1.936849  
1 1 1 20  1  41 o 25.15036 0.7327017 6.337460       0.3680780 5.899688       0.5108831 6.809975       0.5307680 -1.806459      1.465403  
1 1 1 20  1  42 o 12.07201 1.306616  1.539690       0.2905926 2.218234       0.4195003 0.9137202      0.4029209 5.543683       2.613232  
1 1 1 20  1  43 o 7.124582 1.630225  0.4872408      0.2735002 0.2988155      0.3863781 0.6764673      0.3871987 -1.846382      3.260449  
1 1 1 20  1  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  2  0  o 142.9617 1.758451  204.5680       5.027178  202.6010       7.041790  206.6126       7.179208  -1.399994      3.516902  
1 1 1 20  2  1  o 200.4583 2.269412  403.6559       9.055429  390.5029       13.34879  414.8687       12.32501  -6.107590      4.538824  
1 1 1 20  2  2  o 84.05527 1.097303  70.47649       1.840813  67.62649       2.506557  73.81329       2.712191  -3.677094      2.194606  
1 1 1 20  2  3  o 77.59030 1.263318  60.22913       1.960140  60.99952       2.801394  59.49020       2.743621  0.9715500      2.526637  
1 1 1 20  2  4  o 115.4514 1.771755  132.5891       4.069205  125.4581       5.428086  141.7384       6.148448  -7.030945      3.543511  
1 1 1 20  2  5  o 77.63330 1.030651  60.24868       1.599436  61.81589       2.307641  58.79974       2.218858  1.941101       2.061303  
1 1 1 20  2  6  o 132.6885 1.418640  175.4738       3.751454  167.7987       5.056745  184.8688       5.594658  -6.419632      2.837281  
1 1 1 20  2  7  o 59.12675 0.7350258 34.96948       0.8691810 35.22128       1.230240  34.71852       1.228178  0.4251175      1.470052  
1 1 1 20  2  8  o 124.7861 1.340271  155.7896       3.343398  158.6019       4.816974  153.1754       4.644310  2.169609       2.680541  
1 1 1 20  2  9  o 27.33466 0.5790007 7.473952       0.3165101 7.529696       0.4458790 7.417330       0.4493673 0.2055798      1.158001  
1 1 1 20  2  10 o 22.35507 0.6286541 4.977463       0.2768308 6.262127       0.4076144 3.877631       0.3771532 5.332787       1.257308  
1 1 1 20  2  11 o 167.5683 1.771633  280.9131       5.927945  272.6429       8.114049  290.3805       8.681446  -5.266418      3.543265  
1 1 1 20  2  12 o 27.18013 0.5904034 7.386886       0.3208485 7.280077       0.4471895 7.500201       0.4606046 -0.4047031     1.180807  
1 1 1 20  2  13 o 150.4084 1.598487  226.5517       4.804938  221.7934       6.643234  231.7718       6.958115  -3.300812      3.196974  
1 1 1 20  2  14 f 74.60869 0.8623651 55.68870       1.286554  56.46935       1.841474  54.94429       1.798221  1.020775       1.724730  
1 1 1 20  2  15 o 70.27737 0.8265242 49.04033       1.155357  53.00067       1.748676  45.97219       1.539148  4.994209       1.653048  
1 1 1 20  2  16 o 80.30082 0.9143837 64.52409       1.468162  65.52155       2.104591  63.57854       2.049108  1.207703       1.828767  
1 1 1 20  2  17 o 110.5139 1.202624  122.0220       2.652276  117.6055       3.609599  127.2047       3.910175  -4.326744      2.405248  
1 1 1 20  2  18 o 30.53867 0.7514711 9.520270       0.4284817 8.798572       0.7407075 9.883236       0.5252937 -1.783308      1.502942  
1 1 1 20  2  19 f 78.86436 1.289840  62.29783       2.033480  60.92210       2.823032  63.78139       2.931587  -1.805733      2.579680  
1 1 1 20  2  20 o 56.50792 0.8817896 32.64331       0.9615428 34.89660       1.234573  29.16885       1.533037  5.081932       1.763579  
1 1 1 20  2  21 o 58.95204 0.7360301 34.77727       0.8676847 34.45212       1.214806  35.11590       1.239757  -0.5619583     1.472060  
1 1 1 20  2  22 o 36.79440 0.6009772 13.43360       0.4403856 14.94374       0.6595167 12.21846       0.5916021 3.700867       1.201954  
1 1 1 20  2  23 o 35.84525 0.6043122 12.85477       0.4331494 12.50300       0.6076607 13.21814       0.6175917 -0.9971275     1.208624  
1 1 1 20  2  24 o 79.68727 0.9166306 63.34741       1.456515  66.85395       2.163549  60.44102       1.969716  4.011284       1.833261  
1 1 1 20  2  25 o 65.61839 0.8672277 43.13512       1.124448  43.16166       1.480265  43.09890       1.728961  0.6484985E-01  1.734455  
1 1 1 20  2  26 o 6.774276 1.651879  0.3864838      0.2697326 0.2636970      0.3468867 0.5742608      0.4289761 -1.764167      3.303758  
1 1 1 20  2  27 o 7.780233 1.491697  0.6223517      0.2357958 0.6791728      0.3634380 0.5810478      0.3098640 0.6043582      2.983395  
1 1 1 20  2  28 f 16.42806 0.7718352 2.695017       0.2521822 2.319486       0.3466994 3.116930       0.3674867 -2.425418      1.543670  
1 1 1 20  2  29 o 24.43659 0.6464983 5.966931       0.3137330 6.993774       0.4559751 5.043785       0.4323389 3.988255       1.292997  
1 1 1 20  2  30 o 90.27919 1.021663  81.76879       1.844426  80.87236       2.581632  82.70341       2.636043  -1.007584      2.043326  
1 1 1 20  2  31 o 45.58473 0.6703770 20.81335       0.6111618 20.83736       0.8613474 20.78901       0.8673100 0.5353165E-01  1.340754  
1 1 1 20  2  32 o 48.01146 0.6861691 23.09197       0.6588694 23.01194       0.9286511 23.17308       0.9349447 -0.1672287     1.372338  
1 1 1 20  2  33 o 46.37765 0.6777922 21.53186       0.6284202 22.10015       0.9050256 21.00276       0.8732659 1.180092       1.355584  
1 1 1 20  2  34 o 53.59685 0.7240925 28.77727       0.7760137 29.34082       1.111638  28.24159       1.083790  1.022503       1.448185  
1 1 1 20  2  35 o 13.08464 1.363677  1.699297       0.3513082 1.583050       0.4523327 1.876011       0.5577016 -1.096701      2.727354  
1 1 1 20  2  36 o 45.13374 0.9925830 20.37893       0.8916993 21.36215       1.339766  19.59703       1.194761  1.930229       1.985166  
1 1 1 20  2  37 o 13.66638 1.161305  1.727504       0.3041346 1.329039       0.3722791 2.527115       0.5273670 -4.351345      2.322611  
1 1 1 20  2  38 o 8.803520 1.465713  0.8192916      0.2552033 0.9619277      0.3574300 0.6709586      0.3644978 1.578776       2.931426  
1 1 1 20  2  39 o 24.32002 1.018471  5.949774       0.4817201 5.947313       0.7775980 5.951307       0.6136573 -0.4134941E-01 2.036942  
1 1 1 20  2  40 f 23.23842 0.7614061 5.422710       0.3536923 5.260322       0.5026257 5.581996       0.4978020 -0.6929359     1.522812  
1 1 1 20  2  41 o 8.659651 1.924474  0.7702593      0.3780905 0.9316763      0.4887587 0.5297264      0.5966331 1.477761       3.848949  
1 1 1 20  2  42 o 23.46185 0.7749673 5.530560       0.3616926 6.300428       0.5190880 4.804060       0.5042555 3.186186       1.549935  
1 1 1 20  2  43 o 6.971604 1.675856  0.4588172      0.2789967 0.4341531      0.3821954 0.4869533      0.4082100 -0.3326101     3.351712  
1 1 1 20  2  44 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  3  0  f 120.0628 1.822415  144.0059       4.367964  139.4122       5.963534  149.3225       6.415685  -4.116570      3.644830  
1 1 1 20  3  1  o 41.68291 0.8215443 17.16138       0.6800936 19.28683       1.039512  15.57079       0.8992569 4.455948       1.643089  
1 1 1 20  3  2  o 115.9254 1.527903  134.7090       3.352713  133.9106       5.752892  135.1196       4.125782  -0.5567398     3.055806  
1 1 1 20  3  3  o 196.7337 2.066062  387.7060       8.128433  390.8752       11.59600  384.6445       11.39726  1.577271       4.132124  
1 1 1 20  3  4  o 78.80775 0.8977563 62.12910       1.414997  62.11050       2.003925  62.14759       1.998302  -0.2361298E-01 1.795513  
1 1 1 20  3  5  o 31.21250 0.5782145 9.442815       0.3549539 12.18966       0.5576006 7.571356       0.4602523 7.397255       1.156429  
1 1 1 20  3  6  o 100.9485 1.105918  101.9629       2.232745  101.4758       3.142637  102.4595       3.172735  -0.4866638     2.211836  
1 1 1 20  3  7  o 106.0018 1.154871  112.3035       2.445941  115.4794       3.555818  109.4512       3.369836  2.839325       2.309742  
1 1 1 20  3  8  o 38.48712 0.5974939 14.75576       0.4589301 13.88216       0.6247435 15.77975       0.6763779 -2.464573      1.194988  
1 1 1 20  3  9  o 152.3613 2.297695  232.2933       6.985803  241.9841       10.30293  224.0468       9.504179  5.844681       4.595390  
1 1 1 20  3  10 o 125.7561 1.350354  158.3453       3.396299  158.5244       4.808214  158.1669       4.797986  0.1418304      2.700707  
1 1 1 20  3  11 o 70.82513 0.8282627 49.90783       1.168707  53.30137       1.748851  47.16934       1.571017  4.324989       1.656525  
1 1 1 20  3  12 o 101.6516 1.115819  103.3108       2.266169  100.7288       3.121039  106.1900       3.295791  -2.680283      2.231637  
1 1 1 20  3  13 o 57.19342 0.7160546 32.72524       0.8190456 32.57640       1.152735  32.87699       1.163957  -0.2625160     1.432109  
1 1 1 20  3  14 o 107.0080 1.167383  114.6577       2.498370  114.8925       3.541048  114.4251       3.525460  0.2177811      2.334766  
1 1 1 20  3  15 o 53.60273 0.6855360 28.74692       0.7349222 28.95335       1.040618  28.54150       1.038060  0.3840942      1.371072  
1 1 1 20  3  16 o 54.59816 0.8628302 30.58932       0.9098814 26.54360       1.433098  33.32154       1.177703  -6.216476      1.725660  
1 1 1 20  3  17 o 56.08314 1.028945  31.38615       1.151619  33.13680       1.698564  29.89678       1.566688  2.882416       2.057891  
1 1 1 20  3  18 o 102.3361 1.391308  103.5697       2.629346  101.3517       3.145119  108.7182       4.791813  -3.491211      2.782617  
1 1 1 20  3  19 o 67.86221 0.8059587 46.04803       1.093127  47.35559       1.582243  44.85402       1.511979  1.840210       1.611917  
1 1 1 20  3  20 o 53.11684 0.6903609 28.23100       0.7333034 28.02336       1.027483  28.44654       1.046885  -0.3976250     1.380722  
1 1 1 20  3  21 o 69.08075 0.8217636 47.66389       1.133663  49.72665       1.659610  45.85937       1.552254  2.794075       1.643527  
1 1 1 20  3  22 o 88.06763 0.9930534 77.69431       1.749063  78.08679       2.485430  77.30923       2.461835  0.4399490      1.986107  
1 1 1 20  3  23 o 66.44125 0.7991844 44.10823       1.060516  42.52181       1.453991  45.91159       1.550223  -2.545555      1.598369  
1 1 1 20  3  24 o 25.69729 0.6191248 6.612022       0.3180318 6.796730       0.4472973 6.423182       0.4522739 0.7270451      1.238250  
1 1 1 20  3  25 o 24.46102 0.6305010 5.960990       0.3075880 5.393142       0.4203115 6.615755       0.4513336 -2.497524      1.261002  
1 1 1 20  3  26 o 34.15601 0.6172141 11.59320       0.4200938 10.48999       0.5677373 12.92812       0.6245183 -3.566071      1.234428  
1 1 1 20  3  27 o 36.61134 0.7488790 13.04833       0.5161093 12.36725       0.6238387 14.52560       0.9187649 -2.926369      1.497758  
1 1 1 20  3  28 f 38.34465 0.8520696 14.73315       0.6527679 15.65245       0.9310943 13.84455       0.9154118 2.356037       1.704139  
1 1 1 20  3  29 o 37.92690 0.6331543 14.39655       0.4801723 14.71537       0.6874424 14.09280       0.6709889 0.8196030      1.266309  
1 1 1 20  3  30 o 40.26550 0.6448709 16.15043       0.5179541 17.61352       0.7653510 14.91411       0.7035416 3.347275       1.289742  
1 1 1 20  3  31 o 47.46301 0.6817467 22.56013       0.6470519 22.27905       0.9052699 22.85372       0.9251944 -0.6036453     1.363493  
1 1 1 20  3  32 o 23.92455 0.6768900 5.739714       0.3235467 5.977322       0.4544618 5.495506       0.4607308 1.007524       1.353780  
1 1 1 20  3  33 f 25.18930 0.6685365 6.329151       0.3360331 5.945939       0.4569288 6.780530       0.4959057 -1.652943      1.337073  
1 1 1 20  3  34 o 34.65322 0.8941258 12.06078       0.6185162 12.27532       0.8534316 11.82341       0.8976723 0.6578407      1.788252  
1 1 1 20  3  35 o 42.52737 0.9887426 18.18830       0.8399448 17.52412       1.202647  18.82079       1.173608  -1.529163      1.977485  
1 1 1 20  3  36 o 63.82417 0.8069834 40.85385       1.029862  41.45953       1.475897  40.27908       1.437741  0.9193573      1.613967  
1 1 1 20  3  37 o 58.98755 0.7720182 34.70777       0.9076247 37.17350       1.354369  32.69772       1.222836  3.775776       1.544036  
1 1 1 20  3  38 o 41.83658 0.6817486 17.54631       0.5704101 17.47416       0.8019010 17.62020       0.8115492 -0.1732750     1.363497  
1 1 1 20  3  39 o 12.02931 1.124380  1.464877       0.2690918 1.570324       0.3716453 1.348677       0.3901342 0.9254408      2.248760  
1 1 1 20  3  40 o 8.755751 2.008313  0.7731411      0.4086197 0.5153027      0.6504901 0.9412004      0.5251678 -1.413176      4.016626  
1 1 1 20  3  41 o 18.69391 0.8582755 3.528831       0.3174138 4.169587       0.4525757 2.908527       0.4452948 3.371525       1.716551  
1 1 1 20  3  42 o 12.01954 1.726181  1.571851       0.3885986 1.739044       0.4852127 1.272788       0.6489398 2.180577       3.452363  
1 1 1 20  3  43 o 31.31031 0.7164984 9.815786       0.4480389 10.57007       0.6498589 9.132440       0.6185455 2.290300       1.432997  
1 1 1 20  4  0  o 163.9286 1.732540  268.8346       5.676646  263.6970       7.861915  274.4304       8.205054  -3.265717      3.465080  
1 1 1 20  4  1  o 203.2502 2.133012  413.6223       8.666183  406.5934       12.02600  421.2155       12.49937  -3.582520      4.266024  
1 1 1 20  4  2  o 97.12025 1.507734  93.38242       2.906159  102.6012       4.458225  86.57053       3.832288  8.238670       3.015468  
1 1 1 20  4  3  o 144.5995 2.168081  209.5243       6.269990  210.3436       8.894408  208.7150       8.840052  0.5612946      4.336163  
1 1 1 20  4  4  o 114.9879 1.745713  131.9582       4.003556  138.1771       5.933475  126.7605       5.424469  4.949860       3.491426  
1 1 1 20  4  5  o 63.39949 0.9165862 40.43748       1.117493  39.37681       1.842977  41.05418       1.405304  -1.329597      1.833172  
1 1 1 20  4  6  o 180.0264 1.896991  323.6244       6.810862  338.4647       10.09657  311.2324       9.226195  7.532867       3.793982  
1 1 1 20  4  7  o 70.64584 0.8267671 49.92551       1.168107  49.64676       1.643110  50.21034       1.660939  -0.3985825     1.653534  
1 1 1 20  4  8  o 209.6526 2.201945  440.3768       9.223709  451.6381       13.40572  430.2530       12.71061  5.066147       4.403890  
1 1 1 20  4  9  o 84.41380 0.9508020 71.16898       1.603003  68.94784       2.198233  73.69153       2.342627  -2.806541      1.901604  
1 1 1 20  4  10 o 105.6767 1.156870  110.7928       2.427469  119.7843       3.710093  104.0623       3.209895  7.423820       2.313740  
1 1 1 20  4  11 o 82.29770 0.9315201 67.61145       1.530512  70.45208       2.247261  65.15400       2.090204  3.214630       1.863040  
1 1 1 20  4  12 o 73.82362 1.230461  54.50430       1.815252  56.24169       2.633139  52.93076       2.505894  2.237473       2.460922  
1 1 1 20  4  13 o 68.56854 0.8087910 46.67169       1.102890  43.73319       1.468027  50.47923       1.671068  -4.913666      1.617582  
1 1 1 20  4  14 o 29.32745 0.7486423 8.623300       0.4087223 8.557939       0.7242485 8.653843       0.4950955 -0.1694794     1.497285  
1 1 1 20  4  15 o 61.08316 1.083041  37.27394       1.321168  35.80336       1.809407  38.95332       1.933598  -2.572952      2.166082  
1 1 1 20  4  16 o 35.36352 0.7492952 12.68602       0.4881457 12.96725       0.5891121 12.06990       0.8719654 1.277939       1.498590  
1 1 1 20  4  17 o 24.02101 0.6023993 5.719729       0.2855984 7.164539       0.4251108 4.531180       0.3855720 5.480278       1.204799  
1 1 1 20  4  18 o 18.02636 0.6577227 3.224268       0.2361189 2.892973       0.3180884 3.630854       0.3523840 -2.045568      1.315445  
1 1 1 20  4  19 o 74.80804 0.8690565 56.02099       1.300174  55.63659       1.826918  56.41550       1.850761  -0.5195160     1.738113  
1 1 1 20  4  20 o 25.19233 0.6007909 6.341399       0.3014634 7.167705       0.4356121 5.581926       0.4176238 3.146757       1.201582  
1 1 1 20  4  21 f 15.50378 0.7315714 2.413389       0.2259666 2.513791       0.3104049 2.300195       0.3295872 0.6896763      1.463143  
1 1 1 20  4  22 o 42.55782 0.6302739 18.12123       0.5363374 17.94674       0.7490823 18.30477       0.7682729 -0.4198303     1.260548  
1 1 1 20  4  23 o 25.95635 0.6131034 6.714512       0.3175323 6.342593       0.4313805 7.154320       0.4691045 -1.562017      1.226207  
1 1 1 20  4  24 o 57.70085 0.7329389 32.99691       0.8406019 36.34595       1.278643  30.44771       1.115557  5.102154       1.465878  
1 1 1 20  4  25 o 27.70287 0.6030440 7.681246       0.3340986 7.702257       0.4701382 7.659811       0.4748708 0.7684517E-01  1.206088  
1 1 1 20  4  26 o 42.26160 0.6358708 17.77846       0.5358912 16.52438       0.7252828 19.28625       0.7952728 -3.263626      1.271742  
1 1 1 20  4  27 o 44.66463 0.6517681 19.97174       0.5821971 19.77446       0.8191583 20.17311       0.8276087 -0.4457169     1.303536  
1 1 1 20  4  28 o 39.48586 0.6946769 15.73114       0.5435702 16.70866       0.7356448 14.55563       0.8067094 2.731495       1.389354  
1 1 1 20  4  29 o 35.02407 0.8375404 12.26519       0.5846036 11.96834       0.7900218 12.62446       0.8691386 -0.9292221     1.675081  
1 1 1 20  4  30 o 44.10474 0.7801194 19.47143       0.6606160 19.56955       1.102192  19.41642       0.8252798 0.1476555      1.560239  
1 1 1 20  4  31 f 61.88932 0.7805596 38.38916       0.9661625 38.52913       1.368194  38.24993       1.364533  0.2251854      1.561119  
1 1 1 20  4  32 o 25.84572 0.6634051 6.690527       0.3426580 6.671043       0.4750029 6.711668       0.4947855 -0.7680130E-01 1.326810  
1 1 1 20  4  33 o 53.22137 0.9298202 28.22277       0.9098110 28.93914       1.661816  27.91614       1.087226  0.8854103      1.859640  
1 1 1 20  4  34 o 63.80947 1.048176  40.70888       1.301664  40.07234       1.653604  41.74585       2.110559  -1.240551      2.096352  
1 1 1 20  4  35 o 38.42164 0.6572246 14.76229       0.5045149 15.62113       0.7322213 13.98603       0.6961299 2.123890       1.314449  
1 1 1 20  4  36 o 53.27138 0.7313055 28.41677       0.7786070 29.48578       1.127025  27.44069       1.076916  1.913044       1.462611  
1 1 1 20  4  37 o 46.77981 0.6996343 21.82557       0.6528436 23.60755       0.9663814 20.32960       0.8854399 3.493412       1.399269  
1 1 1 20  4  38 o 57.10714 0.7624809 32.51012       0.8676347 35.13923       1.297142  30.38149       1.167166  4.146255       1.524962  
1 1 1 20  4  39 o 17.47713 0.8685452 3.066679       0.3031197 3.047607       0.4165954 3.088135       0.4418725 -0.1114540     1.737090  
1 1 1 20  4  40 f 29.55490 0.6988042 8.741494       0.4125823 8.265981       0.5681658 9.271969       0.6001022 -1.696934      1.397608  
1 1 1 20  4  41 o 31.07777 0.9065148 9.782326       0.5517644 10.09579       0.7179947 9.330195       0.8623013 1.261311       1.813030  
1 1 1 20  4  42 o 29.40997 0.7190335 8.680317       0.4227223 8.658222       0.5882164 8.703918       0.6079091 -0.7415009E-01 1.438067  
1 1 1 20  4  43 o 12.45685 1.604732  1.537450       0.3841819 1.280940       0.4861953 1.963848       0.6268526 -2.870695      3.209464  
1 1 1 20  5  0  o 64.42139 0.7677861 41.50499       0.9891019 41.14857       1.385230  41.87572       1.412779  -0.5640564     1.535572  
1 1 1 20  5  1  o 35.01199 0.5624413 12.17499       0.3924639 11.16361       0.5295085 13.40791       0.5846322 -3.204567      1.124883  
1 1 1 20  5  2  o 34.26287 0.5630789 11.49588       0.3817900 9.912940       0.4993228 13.72391       0.5923941 -5.560541      1.126158  
1 1 1 20  5  3  o 56.07721 0.6970714 31.28274       0.7790691 29.50296       1.049565  33.46664       1.162631  -3.532845      1.394143  
1 1 1 20  5  4  o 53.28203 0.8039444 28.71836       0.8276319 29.71138       1.053223  27.11529       1.338194  2.440022       1.607889  
1 1 1 20  5  5  f 127.5201 1.921210  162.9118       4.899520  164.0520       6.978494  161.8034       6.880482  0.8781891      3.842419  
1 1 1 20  5  6  o 68.76279 1.112525  47.31667       1.530005  47.37181       2.165925  47.26174       2.161589  0.7993317E-01  2.225051  
1 1 1 20  5  7  o 220.1646 2.846194  482.7703       11.65159  499.0814       20.88865  475.4031       14.03842  4.955978       5.692388  
1 1 1 20  5  8  o 77.84683 0.8871496 60.62713       1.381150  61.10991       1.966654  60.15731       1.940098  0.6112976      1.774299  
1 1 1 20  5  9  o 73.14404 0.8461691 53.45483       1.236712  55.17825       1.796461  51.90231       1.705066  2.237427       1.692338  
1 1 1 20  5  10 o 110.3429 1.199764  121.4778       2.640622  127.3538       3.910697  116.5536       3.579986  4.882874       2.399528  
1 1 1 20  5  11 o 51.95916 0.8490115 27.78822       0.8452340 24.02303       1.355969  30.18091       1.080933  -5.932755      1.698023  
1 1 1 20  5  12 o 91.80096 1.463291  84.08247       2.678060  88.80508       3.984674  80.19181       3.616705  4.673424       2.926583  
1 1 1 20  5  13 o 86.28568 1.394537  74.59227       2.406558  74.87175       3.410290  74.31505       3.396525  0.3219376      2.789074  
1 1 1 20  5  14 o 40.21458 0.7770112 16.63003       0.5786560 17.44910       0.7066972 14.96357       1.008016  3.098988       1.554022  
1 1 1 20  5  15 o 34.89314 0.8072338 12.25550       0.5443396 12.46653       0.6895953 11.90664       0.8866485 0.8090858      1.614468  
1 1 1 20  5  16 o 73.60653 0.8566752 53.59994       1.250839  59.07361       1.924182  49.59407       1.646098  6.428543       1.713350  
1 1 1 20  5  17 o 16.32076 0.6979847 2.714720       0.2230915 3.258253       0.3101462 2.131973       0.3211389 3.450811       1.395969  
1 1 1 20  5  18 o 50.23067 0.6674321 25.08592       0.6681302 27.21762       0.9974730 23.35120       0.8998134 3.845352       1.334864  
1 1 1 20  5  19 o 61.35175 0.7542952 37.65364       0.9252454 36.94365       1.288545  38.40936       1.329400  -1.192863      1.508590  
1 1 1 20  5  20 o 57.42937 0.7234090 32.91817       0.8295329 34.57745       1.216585  31.47642       1.134034  2.696514       1.446818  
1 1 1 20  5  21 o 27.30217 0.5969331 7.333402       0.3231677 6.312678       0.4271102 8.700340       0.4942654 -4.370176      1.193866  
1 1 1 20  5  22 o 78.35256 0.9043700 61.49009       1.417191  61.66031       2.006219  61.32055       2.002208  0.2165527      1.808740  
1 1 1 20  5  23 o 31.92421 0.6103101 10.08430       0.3872201 11.77701       0.5813628 8.734601       0.5191301 4.762383       1.220620  
1 1 1 20  5  24 f 29.61255 0.6043392 8.777911       0.3578151 8.861745       0.5014403 8.690940       0.5107419 0.2888412      1.208678  
1 1 1 20  5  25 o 38.12687 0.6261728 14.42681       0.4753966 16.30268       0.7093654 12.89739       0.6405184 4.462082       1.252346  
1 1 1 20  5  26 o 38.64536 0.6243278 14.88935       0.4815360 15.95639       0.7091203 13.97628       0.6559704 2.558819       1.248656  
1 1 1 20  5  27 o 56.08633 0.7286584 31.35429       0.8150012 29.57857       1.102558  33.49333       1.210107  -3.481853      1.457317  
1 1 1 20  5  28 o 62.80407 0.7816253 39.50111       0.9815301 40.15971       1.407794  38.87814       1.369197  1.017059       1.563251  
1 1 1 20  5  29 o 36.37257 0.6342582 13.23270       0.4610868 13.91356       0.6635017 12.59680       0.6412196 1.808460       1.268516  
1 1 1 20  5  30 f 101.3303 1.455643  103.6831       2.905205  104.8610       3.804827  102.0361       4.499035  1.519226       2.911286  
1 1 1 20  5  31 o 21.33656 0.9058864 4.570121       0.3840011 4.597728       0.5151143 4.535591       0.5761095 0.1529846      1.811773  
1 1 1 20  5  32 f 47.84988 1.019573  22.62333       0.9660663 25.60531       1.500843  20.51377       1.262349  5.286831       2.039146  
1 1 1 20  5  33 o 12.29963 1.035714  1.488173       0.2517004 1.217417       0.3318443 1.854950       0.3862299 -2.583487      2.071429  
1 1 1 20  5  34 o 64.71494 0.8093048 41.95129       1.046763  43.26122       1.515114  40.75506       1.447866  1.927986       1.618610  
1 1 1 20  5  35 o 28.04205 0.6745405 7.875187       0.3774001 8.649115       0.5423130 7.148416       0.5255313 2.673857       1.349081  
1 1 1 20  5  36 o 5.969625 1.524887  0.2491123      0.2404340 0.7446228E-01  0.3163064 0.4881269      0.3700290 -2.170717      3.049775  
1 1 1 20  5  37 o 45.45270 0.6905123 20.69682       0.6275049 21.33179       0.9009030 20.09847       0.8745363 1.353367       1.381025  
1 1 1 20  5  38 o 29.32324 0.6829230 8.619818       0.3998419 9.302999       0.5715352 7.964924       0.5595783 2.279974       1.365846  
1 1 1 20  5  39 o 49.97862 0.7210709 25.04899       0.7206051 24.69743       1.006362  25.41890       1.032312  -0.7177925     1.442142  
1 1 1 20  5  40 o 24.48455 0.7332686 6.016234       0.3585376 6.037658       0.4942053 5.992430       0.5209486 0.9667969E-01  1.466537  
1 1 1 20  5  41 o 37.17307 0.6903380 13.86034       0.5131515 13.79595       0.7183580 13.92744       0.7332840 -0.1744728     1.380676  
1 1 1 20  5  42 o 33.90791 0.7520937 11.61782       0.5057298 12.24106       0.6841108 10.86680       0.7509764 2.039097       1.504187  
1 1 1 20  5  43 o 14.99197 2.390138  2.685905       0.6046301 1.725879       1.327696  2.937095       0.6791399 -4.055608      4.780277  
1 1 1 20  6  0  o 84.85136 0.9541658 72.02277       1.619158  72.38282       2.304009  71.67146       2.275918  0.4187698      1.908332  
1 1 1 20  6  1  o 80.16035 0.9076379 64.26379       1.454874  65.15750       2.081541  63.41022       2.034278  1.089172       1.815276  
1 1 1 20  6  2  o 52.38802 0.6681566 27.43083       0.6997899 28.17210       1.007095  26.73878       0.9730855 1.367615       1.336313  
1 1 1 20  6  3  o 96.68935 1.064561  92.87919       2.047372  99.65482       3.097033  87.61951       2.728667  6.216896       2.129121  
1 1 1 20  6  4  o 130.7221 1.399437  170.7773       3.653829  165.9302       5.013506  176.2684       5.336161  -3.945801      2.798873  
1 1 1 20  6  5  o 81.24913 0.9172077 66.04041       1.490360  66.58787       2.121745  65.50723       2.093904  0.6644974      1.834415  
1 1 1 20  6  6  o 134.1706 1.434202  179.8838       3.842136  186.2738       5.632223  174.3219       5.254612  4.442093       2.868403  
1 1 1 20  6  7  o 28.49315 0.6290746 8.149623       0.3570552 8.548108       0.4914846 7.704258       0.5195916 1.481205       1.258149  
1 1 1 20  6  8  o 119.2562 1.803024  142.2436       4.292955  147.4689       6.298237  137.7094       5.866988  4.072388       3.606047  
1 1 1 20  6  9  o 48.70533 1.211218  0.000000       0.000000  ?              ?         23.73565       1.179855  ?              ?         
1 1 1 20  6  10 o 72.43017 1.229608  52.37778       1.777609  54.83959       2.617174  50.26948       2.421993  3.147537       2.459215  
1 1 1 20  6  11 o 51.70232 0.8590823 25.73898       0.7881818 24.64116       0.9132017 28.94526       1.560638  -4.144413      1.718165  
1 1 1 20  6  12 o 81.56960 0.9235449 66.34014       1.502275  63.50767       2.033041  69.74683       2.229613  -3.818245      1.847090  
1 1 1 20  6  13 o 43.40720 0.6142436 18.65345       0.5303193 20.84000       0.8025120 16.95840       0.7065830 4.468979       1.228487  
1 1 1 20  6  14 f 59.45305 0.7318797 35.22923       0.8678028 33.60781       1.174944  37.17542       1.287247  -2.996914      1.463759  
1 1 1 20  6  15 o 96.84295 1.072147  93.35463       2.066941  99.61017       3.109379  88.40186       2.766726  5.770386       2.144294  
1 1 1 20  6  16 o 67.60098 0.8039682 45.57306       1.084411  48.07869       1.602279  43.45534       1.473036  3.414757       1.607936  
1 1 1 20  6  17 o 84.69730 1.381133  71.58855       2.331631  75.92415       3.475525  68.04026       3.144168  4.631485       2.762266  
1 1 1 20  6  18 o 78.78780 0.9043049 61.99914       1.422542  64.67136       2.087159  59.68089       1.944015  3.160194       1.808610  
1 1 1 20  6  19 o 72.38035 0.8486626 52.43273       1.228236  51.80212       1.714666  53.09729       1.760206  -0.8925781     1.697325  
1 1 1 20  6  20 o 41.55434 0.6218547 17.18570       0.5154113 18.70003       0.7628101 15.91360       0.6991472 3.350422       1.243709  
1 1 1 20  6  21 o 16.00455 0.7075197 2.577137       0.2251209 2.721851       0.3077620 2.410600       0.3301542 0.9734344      1.415039  
1 1 1 20  6  22 o 15.02522 0.7819430 2.326776       0.2272254 2.904410       0.3145835 1.696665       0.3285627 4.019799       1.563886  
1 1 1 20  6  23 o 23.20372 0.6353681 5.399306       0.2942530 5.716452       0.4124292 5.070495       0.4199457 1.392275       1.270736  
1 1 1 20  6  24 o 28.19395 0.6184309 7.919081       0.3462664 9.336154       0.5076503 6.686155       0.4735188 4.697863       1.236862  
1 1 1 20  6  25 o 65.75436 0.8024515 43.28022       1.054946  44.29869       1.515892  42.32374       1.469048  1.498459       1.604903  
1 1 1 20  6  26 o 15.43595 0.8037318 2.333025       0.2451296 1.930427       0.3215229 2.891868       0.3788101 -3.109778      1.607464  
1 1 1 20  6  27 o 82.34674 0.9467744 67.95393       1.558673  69.22889       2.242435  66.76216       2.168040  1.490395       1.893549  
1 1 1 20  6  28 o 45.43066 0.6643052 20.65507       0.6033948 20.16628       0.8402218 21.17560       0.8670696 -1.108875      1.328610  
1 1 1 20  6  29 o 20.23580 0.7071782 4.101524       0.2859694 4.095658       0.3963058 4.107895       0.4130578 -0.2882385E-01 1.414356  
1 1 1 20  6  30 o 26.87917 1.941806  0.000000       0.000000  ?              ?         7.274459       1.043883  ?              ?         
1 1 1 20  6  31 f 22.79581 1.595053  6.013605       0.4337441 6.239583       0.4619893 4.333222       1.259807  4.325731       3.190105  
1 1 1 20  6  32 o 39.12260 0.8674440 15.25570       0.6747089 14.52703       0.8981653 16.19949       1.022185  -2.122272      1.734888  
1 1 1 20  6  33 o 39.93683 0.6640078 15.85613       0.5282534 14.56311       0.7099521 17.45991       0.7906771 -3.618866      1.328016  
1 1 1 20  6  34 f 43.38252 0.6747872 18.84408       0.5852061 18.37265       0.8125514 19.35213       0.8435304 -1.125542      1.349574  
1 1 1 20  6  35 o 35.96616 0.6566937 12.94761       0.4720589 12.53404       0.6531768 13.39982       0.6830059 -1.200172      1.313387  
1 1 1 20  6  36 f 16.63879 0.8706856 2.823696       0.2841720 3.388140       0.3968551 2.229731       0.4071006 3.482599       1.741371  
1 1 1 20  6  37 f 18.32961 0.8133343 3.376920       0.2967438 3.429355       0.4023277 3.314363       0.4394422 0.3193741      1.626669  
1 1 1 20  6  38 o 56.16622 0.7589406 31.47767       0.8497837 29.58279       1.146763  33.78544       1.265549  -3.723240      1.517881  
1 1 1 20  6  39 o 19.51961 0.8087900 3.796506       0.3144680 3.396249       0.4249685 4.280931       0.4675204 -2.258490      1.617580  
1 1 1 20  6  40 o 27.89348 0.7005008 7.803185       0.3904610 7.774487       0.5407764 7.834442       0.5643696 -0.1038036     1.401002  
1 1 1 20  6  41 o 16.49213 0.9182082 2.701951       0.3008842 2.344795       0.4021780 3.155977       0.4534501 -2.448075      1.836416  
1 1 1 20  6  42 o 19.63351 1.392124  3.835124       0.5354412 4.257263       0.8649154 3.572812       0.6817976 1.679749       2.784247  
1 1 1 20  6  43 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  7  0  o 113.8907 1.234189  129.5353       2.806449  134.1775       4.115823  125.5013       3.836699  3.803307       2.468379  
1 1 1 20  7  1  f 202.6278 2.130175  411.4836       8.632653  411.8028       12.21166  411.1648       12.20517  0.1571808      4.260350  
1 1 1 20  7  2  o 134.6154 1.441698  181.2810       3.879091  184.8079       5.604611  178.0380       5.374358  2.508469       2.883395  
1 1 1 20  7  3  o 75.69923 0.8685206 57.21581       1.313060  55.34127       1.799693  59.34941       1.920037  -2.645348      1.737041  
1 1 1 20  7  4  o 15.47643 0.5220552 2.386087       0.1612418 2.250794       0.2194246 2.544903       0.2377352 -0.9499826     1.044110  
1 1 1 20  7  5  o 137.9412 1.473219  190.2622       4.059437  195.9193       5.918060  185.2351       5.578774  3.861496       2.946438  
1 1 1 20  7  6  f 110.1040 1.482441  120.4670       3.031194  123.9313       5.442666  118.9093       3.649587  2.218826       2.964881  
1 1 1 20  7  7  o 131.4245 2.010877  172.5972       5.269651  180.9862       7.825077  165.6355       7.128376  5.804565       4.021755  
1 1 1 20  7  8  o 35.72855 0.9266399 12.77302       0.6615365 12.75317       0.9157063 12.79470       0.9567506 -0.5705643E-01 1.853280  
1 1 1 20  7  9  o 120.0332 1.828936  144.2882       4.390663  144.2882       4.390663  ?              ?         ?              ?         
1 1 1 20  7  10 o 58.37854 0.9663304 34.01440       1.126182  35.64824       1.655129  32.60587       1.536773  2.601971       1.932661  
1 1 1 20  7  11 o 92.89996 1.432746  86.14834       2.653975  82.54507       3.589166  90.49531       3.942202  -4.261726      2.865493  
1 1 1 20  7  12 o 77.80427 1.069789  60.75806       1.590584  60.08823       2.671266  61.12601       1.979820  -0.6934204     2.139577  
1 1 1 20  7  13 o 82.13083 0.9299418 67.50805       1.527259  66.80021       2.135532  68.24909       2.185059  -0.8801651     1.859884  
1 1 1 20  7  14 o 22.10879 0.5550049 4.816453       0.2434916 4.145330       0.3233154 5.695887       0.3701065 -3.505497      1.110010  
1 1 1 20  7  15 o 84.09111 0.9502546 70.77419       1.597806  71.80293       2.289097  69.79675       2.231289  1.190331       1.900509  
1 1 1 20  7  16 o 98.47959 1.087568  97.10829       2.141566  98.55693       3.069209  95.73380       2.989621  1.429153       2.175137  
1 1 1 20  7  17 f 74.40377 0.8645341 55.42023       1.286489  55.50166       1.818268  55.33860       1.820474  0.1096802      1.729068  
1 1 1 20  7  18 o 109.4893 1.196830  119.7384       2.613653  115.0048       3.542477  125.3935       3.871991  -4.722733      2.393661  
1 1 1 20  7  19 o 87.02048 1.063442  76.13153       1.841368  78.98872       2.509940  72.80147       2.709691  3.567146       2.126884  
1 1 1 20  7  20 o 98.97694 1.097357  98.17473       2.172215  97.89675       3.060412  98.45693       3.083672  -0.2813568     2.194714  
1 1 1 20  7  21 o 106.7930 1.172467  114.3225       2.503631  115.9321       3.588261  112.7956       3.494920  1.460846       2.344934  
1 1 1 20  7  22 o 99.67488 1.105071  99.59345       2.202956  99.48511       3.113893  99.70202       3.117010  -0.1085663     2.210143  
1 1 1 20  7  23 f 42.01857 0.6329137 17.66957       0.5316796 17.60536       0.7411079 17.73766       0.7631954 -0.1563187     1.265827  
1 1 1 20  7  24 o 56.32808 0.7257550 31.76886       0.8176038 31.85111       1.155551  31.68641       1.156983  0.1462898      1.451510  
1 1 1 20  7  25 o 63.40681 0.7850191 40.26962       0.9955074 40.38364       1.407516  40.15548       1.408204  0.1799736      1.570038  
1 1 1 20  7  26 o 37.78030 0.6268657 14.29099       0.4735095 14.33572       0.6618205 14.24409       0.6777508 0.1223030      1.253731  
1 1 1 20  7  27 f 69.22130 0.8360168 47.98209       1.156789  47.00573       1.604563  49.03875       1.669248  -1.462723      1.672034  
1 1 1 20  7  28 o 22.99644 0.9725495 5.419064       0.3876799 5.073870       0.7609089 5.540088       0.4505427 -1.046871      1.945099  
1 1 1 20  7  29 o 6.392179 1.896424  0.6022188E-01  0.4113573 -0.1022900     0.6250801 0.1843669      0.5463335 -0.3761668     3.792848  
1 1 1 20  7  30 o 12.35009 1.004250  1.514237       0.2424186 1.111240       0.3252978 2.017572       0.3635452 -3.664326      2.008501  
1 1 1 20  7  31 o 29.81778 0.6421620 8.905020       0.3829516 8.970531       0.5427808 8.840089       0.5403779 0.2185211      1.284324  
1 1 1 20  7  32 o 34.09762 0.6438308 11.52887       0.4368430 10.33413       0.5848280 13.03685       0.6570358 -3.956455      1.287662  
1 1 1 20  7  33 o 43.59071 0.8917422 18.92819       0.7731581 17.83578       1.030221  20.33680       1.169863  -2.850048      1.783484  
1 1 1 20  7  34 o 37.24946 0.7499960 14.05796       0.5484321 13.07679       0.8445172 14.77350       0.7211994 -2.292953      1.499992  
1 1 1 20  7  35 o 19.96031 0.7630237 4.023420       0.3022528 4.512464       0.4223775 3.510156       0.4327098 2.512133       1.526047  
1 1 1 20  7  36 f 37.62879 0.6652465 14.16192       0.5000685 15.11504       0.7248923 13.29648       0.6907499 2.412361       1.330493  
1 1 1 20  7  37 o 40.10075 0.6719955 16.05015       0.5375479 15.16848       0.7287412 17.10243       0.7961371 -2.402485      1.343991  
1 1 1 20  7  38 o 25.04051 0.7181875 6.268936       0.3590757 5.930054       0.4910033 6.658541       0.5264692 -1.449398      1.436375  
1 1 1 20  7  39 o 38.22800 0.6837114 14.61747       0.5219519 13.94655       0.7146090 15.38471       0.7641852 -1.873486      1.367423  
1 1 1 20  7  40 o 22.66768 0.7604395 5.152441       0.3443218 5.064006       0.4736237 5.251574       0.5014566 -0.4089184     1.520879  
1 1 1 20  7  41 o 40.68224 1.080364  16.53568       0.8722900 17.86585       1.336204  15.54781       1.151508  2.799309       2.160727  
1 1 1 20  7  42 o 53.63663 0.7656916 28.88356       0.8213385 28.73218       1.154486  29.03871       1.168741  -0.2830849     1.531383  
1 1 1 20  8  0  f 75.22792 1.267530  56.63287       1.906947  57.45131       2.713985  55.83481       2.679996  1.073601       2.535059  
1 1 1 20  8  1  o 91.85298 1.474349  84.25029       2.703480  88.01292       3.972660  81.00472       3.689608  3.806648       2.948698  
1 1 1 20  8  2  o 105.8258 1.659277  111.9032       3.504979  108.1055       4.779994  116.3197       5.154773  -3.867882      3.318555  
1 1 1 20  8  3  o 97.61580 1.548496  94.94653       3.011554  100.7810       4.503900  90.22856       4.050111  5.389496       3.096993  
1 1 1 20  8  4  o 69.93931 1.201398  48.92624       1.679780  50.14248       2.419315  47.79416       2.334110  1.676468       2.402797  
1 1 1 20  8  5  o 63.13622 1.126852  39.88706       1.422556  39.48245       1.986095  40.31333       2.038525  -0.6565628     2.253704  
1 1 1 20  8  6  o 125.6161 1.930832  157.5119       4.833316  166.3880       7.214311  150.2833       6.510436  6.374466       3.861664  
1 1 1 20  8  7  o 31.61669 0.9583632 10.00262       0.6054079 10.61163       0.8633903 9.413540       0.8491398 1.894321       1.916726  
1 1 1 20  8  8  o 59.26609 1.084954  34.91960       1.280828  37.87156       1.919805  32.55166       1.719442  4.481354       2.169909  
1 1 1 20  8  9  o 45.37778 0.9826626 20.50984       0.8896496 22.28770       1.312342  18.99803       1.210169  3.621429       1.965325  
1 1 1 20  8  10 o 85.18629 0.9572592 72.54068       1.629423  74.66901       2.366384  70.62177       2.246957  2.371628       1.914518  
1 1 1 20  8  11 f 62.04287 0.8955256 37.75216       1.038789  36.42688       1.251828  40.68272       1.861513  -3.409966      1.791051  
1 1 1 20  8  12 o 42.16611 0.7689251 17.59829       0.6444803 19.59752       0.9798531 16.07395       0.8555967 4.174240       1.537850  
1 1 1 20  8  13 o 65.55995 1.062753  41.72606       1.362260  37.23731       1.720520  49.26838       2.230229  -9.151463      2.125506  
1 1 1 20  8  14 o 97.96965 1.311223  96.00727       2.430596  96.77383       4.188083  95.61794       2.984671  0.5184021      2.622446  
1 1 1 20  8  15 o 72.83636 0.8541602 52.93352       1.241210  55.44204       1.834824  50.81705       1.685358  3.168739       1.708320  
1 1 1 20  8  16 o 10.64399 0.7632924 1.097033       0.1589470 0.8291287      0.2065265 1.486265       0.2489374 -3.085234      1.526585  
1 1 1 20  8  17 o 100.5320 1.109400  100.9865       2.225942  97.32513       3.032044  105.2666       3.278268  -3.934982      2.218801  
1 1 1 20  8  18 o 58.87653 0.7371970 34.68027       0.8678582 35.32227       1.244368  34.07225       1.210986  1.060181       1.474394  
1 1 1 20  8  19 f 108.2213 1.185172  117.2891       2.563164  114.6545       3.540673  120.1900       3.715355  -2.544716      2.370344  
1 1 1 20  8  20 o 101.2412 1.119343  102.6324       2.264494  105.4371       3.286498  100.0973       3.124590  2.624619       2.238686  
1 1 1 20  8  21 o 107.9199 1.185175  116.7841       2.557973  117.5404       3.637758  116.0444       3.597617  0.6897659      2.370350  
1 1 1 20  8  22 o 142.3564 1.527563  203.5499       4.346983  207.4396       6.268095  199.9456       6.033727  2.604797       3.055127  
1 1 1 20  8  23 o 38.36240 0.6144855 14.73169       0.4713694 14.83630       0.6614743 14.62376       0.6718814 0.2775497      1.228971  
1 1 1 20  8  24 o 27.07597 0.6044258 7.344625       0.3262904 8.092859       0.4651566 6.619807       0.4578194 2.719826       1.208852  
1 1 1 20  8  25 o 83.31914 0.9567013 69.60094       1.594222  69.64162       2.251374  69.56003       2.257782  0.4958344E-01  1.913403  
1 1 1 20  8  26 o 49.01878 0.7590020 24.20663       0.7379313 22.84546       1.098703  25.32526       0.9960217 -2.537590      1.518004  
1 1 1 20  8  27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  8  28 o 29.83889 0.8743816 8.894402       0.4511545 8.862581       0.5201402 8.991064       0.9065478 -0.1761417     1.748763  
1 1 1 20  8  29 o 53.83440 0.7205933 28.98478       0.7750441 27.93124       1.066661  30.16312       1.128072  -2.067188      1.441187  
1 1 1 20  8  30 o 44.73705 0.6668084 20.04756       0.5966114 20.16248       0.8465949 19.93417       0.8409057 0.2546616      1.333617  
1 1 1 20  8  31 o 19.74179 0.7541692 3.975297       0.2882216 5.186905       0.4112961 2.806206       0.4040151 6.028841       1.508338  
1 1 1 20  8  32 o 7.427972 1.454497  0.5728313      0.2227182 0.5714206      0.2993649 0.5745801      0.3333036 -0.5271149E-01 2.908995  
1 1 1 20  8  33 o 40.87934 0.6622332 16.74431       0.5414287 16.81614       0.7655261 16.67242       0.7658657 0.1758118      1.324466  
1 1 1 20  8  34 o 31.16092 0.7981899 9.814879       0.4922431 10.36023       0.6618613 9.139862       0.7363561 1.968506       1.596380  
1 1 1 20  8  35 o 24.20378 0.7899040 5.885467       0.3817427 5.665617       0.5490413 6.091210       0.5311351 -0.8816872     1.579808  
1 1 1 20  8  36 o 19.13956 0.7876325 3.667232       0.3001856 3.593101       0.4042341 3.758372       0.4482179 -0.4252663     1.575265  
1 1 1 20  8  37 o 8.127603 1.506761  0.6726834      0.2477444 0.5373859      0.3253708 0.8593410      0.3821701 -1.810338      3.013523  
1 1 1 20  8  38 o 33.36687 0.6746445 11.15312       0.4495323 10.96280       0.6167319 11.36885       0.6566099 -0.6025734     1.349289  
1 1 1 20  8  39 o 13.57323 1.281610  1.872531       0.3349457 1.818157       0.5498145 1.904619       0.4223682 -0.3541098     2.563219  
1 1 1 20  8  40 o 38.62774 0.8748046 15.38160       0.6313950 16.16105       0.7776687 13.87397       1.081552  3.021137       1.749609  
1 1 1 20  8  41 o 36.59325 0.6871561 13.42992       0.5025651 13.28807       0.6964595 13.58403       0.7259246 -0.3992996     1.374312  
1 1 1 20  8  42 o 37.98438 1.162492  14.90575       0.8468321 13.25392       1.366667  15.93523       1.078916  -3.611271      2.324983  
1 1 1 20  9  0  o 82.03810 1.350424  67.29296       2.213489  65.60066       3.049023  69.17867       3.218544  -2.175735      2.700849  
1 1 1 20  9  1  o 60.28701 1.102731  36.16153       1.324579  34.05511       1.781139  38.76792       1.981279  -3.903679      2.205462  
1 1 1 20  9  2  o 89.84782 1.454167  80.20112       2.598171  86.65362       3.937752  75.22619       3.457626  6.343063       2.908334  
1 1 1 20  9  3  o 111.8283 1.744622  124.5826       3.883583  118.2180       5.197669  132.6265       5.843278  -6.414764      3.489244  
1 1 1 20  9  4  o 38.98789 0.9608725 15.14380       0.7475907 14.03632       1.019385  16.43262       1.099680  -3.071133      1.921745  
1 1 1 20  9  5  o 100.7872 1.594210  101.7524       3.212639  100.4494       4.480904  103.1307       4.608497  -1.324509      3.188421  
1 1 1 20  9  6  o 16.47463 1.291780  2.717611       0.4252475 2.708585       0.5885423 2.727472       0.6151192 -0.5628395E-01 2.583561  
1 1 1 20  9  7  o 75.47294 1.274060  56.54823       1.911839  61.56314       2.901824  52.70177       2.541384  5.855698       2.548119  
1 1 1 20  9  8  o 40.96687 0.9603621 16.80051       0.7866936 16.97912       1.104992  16.61693       1.120271  0.4425507      1.920724  
1 1 1 20  9  9  o 59.95284 1.101037  35.97707       1.320023  36.54616       1.885979  35.43055       1.848185  0.9289627      2.202074  
1 1 1 20  9  10 o 82.25684 1.362071  67.78416       2.240554  66.99569       3.140586  68.60141       3.197421  -0.9731064     2.724143  
1 1 1 20  9  11 o 50.02202 1.015974  25.04792       1.016295  25.59686       1.447942  24.51489       1.426807  1.080578       2.031948  
1 1 1 20  9  12 o 47.77214 1.004067  22.85218       0.9592689 23.00598       1.352125  22.69633       1.361142  0.3244972      2.008134  
1 1 1 20  9  13 o 27.64791 0.5664932 7.733080       0.3095932 8.800729       0.4291737 6.574721       0.4470342 4.026094       1.132986  
1 1 1 20  9  14 o 49.60653 0.8515863 24.40063       0.8396041 22.66829       1.114007  26.67863       1.277464  -4.035385      1.703173  
1 1 1 20  9  15 o 32.43116 0.6706406 10.46731       0.4338023 11.46929       0.6410236 9.620731       0.5892228 2.848171       1.341281  
1 1 1 20  9  16 o 87.10851 1.176520  76.54173       1.969944  74.18825       3.247576  77.91182       2.477867  -2.185577      2.353041  
1 1 1 20  9  17 o 60.79618 0.7468072 36.94617       0.9071240 35.99303       1.249148  38.00967       1.319473  -1.655579      1.493614  
1 1 1 20  9  18 o 23.95985 0.5681792 5.755769       0.2711641 6.389727       0.3851287 5.132526       0.3818602 2.623446       1.136358  
1 1 1 20  9  19 o 49.31593 0.6668031 24.32206       0.6574064 25.06136       0.9462884 23.63238       0.9139792 1.447319       1.333606  
1 1 1 20  9  20 o 94.82671 1.058067  90.04724       2.005459  92.14729       2.897566  88.11627       2.778476  2.116638       2.116135  
1 1 1 20  9  21 o 41.85210 0.6263182 17.52640       0.5240694 18.19054       0.7469831 16.88262       0.7354439 1.562012       1.252636  
1 1 1 20  9  22 f 20.99455 1.236463  4.425101       0.5189563 4.499495       0.7273781 4.347972       0.7406313 0.3622112      2.472925  
1 1 1 20  9  23 o 51.28952 0.6918457 26.17791       0.7073816 28.40973       1.053208  24.34369       0.9547941 3.957817       1.383691  
1 1 1 20  9  24 o 18.85037 0.6674728 3.582049       0.2495461 3.795359       0.3383893 3.327743       0.3694796 1.242348       1.334946  
1 1 1 20  9  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  9  26 o 66.08272 1.028040  43.16359       1.238073  42.26919       1.466472  45.38300       2.310078  -2.263237      2.056080  
1 1 1 20  9  27 f 29.18797 0.6207286 8.541975       0.3618460 8.947361       0.5075850 8.123080       0.5159731 1.412632       1.241457  
1 1 1 20  9  28 o 29.67241 0.6309920 8.809967       0.3735307 8.720210       0.5093825 8.914376       0.5493871 -0.3240051     1.261984  
1 1 1 20  9  29 o 30.91278 0.6310879 9.579406       0.3894321 9.730283       0.5369209 9.411930       0.5656846 0.5173588      1.262176  
1 1 1 20  9  30 o 41.55955 0.6525055 17.28658       0.5420562 16.89763       0.7514907 17.70841       0.7826232 -0.9726448     1.305011  
1 1 1 20  9  31 o 10.71519 1.059760  1.140909       0.2250913 1.065410       0.2956198 1.245070       0.3472251 -0.8303585     2.119521  
1 1 1 20  9  32 o 59.00923 0.7675011 34.62936       0.9013906 37.74958       1.359222  32.17986       1.204308  4.701294       1.535002  
1 1 1 20  9  33 o 25.78291 0.6692847 6.639226       0.3444966 6.278243       0.4703394 7.057017       0.5059959 -1.506187      1.338569  
1 1 1 20  9  34 o 34.91923 0.6498644 12.20569       0.4536006 11.78519       0.6290864 12.66106       0.6546535 -1.251202      1.299729  
1 1 1 20  9  35 o 35.60890 0.7783195 12.87336       0.5350570 13.34942       0.6807141 12.10373       0.8655121 1.774769       1.556639  
1 1 1 20  9  36 o 27.63737 0.7764293 7.658267       0.4287211 7.779112       0.6226708 7.549345       0.5911620 0.4108849      1.552859  
1 1 1 20  9  37 o 27.36717 0.6856154 7.460993       0.3740367 6.843554       0.5055878 8.207492       0.5559232 -2.484846      1.371231  
1 1 1 20  9  38 o 33.75646 1.111172  11.50500       0.7484328 11.09518       1.083921  11.87844       1.034683  -1.172333      2.222345  
1 1 1 20  9  39 o 54.88623 0.7593561 30.22217       0.8333601 31.08611       1.192908  29.39861       1.164697  1.532406       1.518712  
1 1 1 20  9  40 o 8.949872 1.483910  0.8338298      0.2593620 0.7534528      0.3420785 0.9425126      0.3977773 -0.9971066     2.967820  
1 1 1 20  9  41 o 24.18780 0.7518859 5.888715       0.3626257 6.131139       0.5005546 5.620962       0.5260555 1.059288       1.503772  
1 1 1 20  10 0  o 55.35040 1.059448  30.62916       1.171980  29.88249       1.620608  31.44777       1.696881  -1.412029      2.118896  
1 1 1 20  10 1  o 95.91058 1.531648  91.62238       2.925823  97.67155       4.386663  86.77480       3.926888  5.662910       3.063296  
1 1 1 20  10 2  o 77.02470 1.295379  59.29469       1.992682  57.48743       2.731554  61.35057       2.913383  -2.501434      2.590758  
1 1 1 20  10 3  o 104.6527 1.654102  109.7233       3.461256  111.4886       4.963186  108.0518       4.829463  1.635681       3.308203  
1 1 1 20  10 4  o 25.47005 1.036779  6.531889       0.5249956 7.084140       0.7264059 5.927984       0.7596193 2.270679       2.073558  
1 1 1 20  10 5  o 22.87356 1.079547  5.236701       0.4937925 5.362070       0.7028242 5.114489       0.6939170 0.5408859      2.159094  
1 1 1 20  10 6  o 97.50734 1.557596  94.80009       3.025802  100.7353       4.526440  90.00539       4.068378  5.478264       3.115193  
1 1 1 20  10 7  o 66.29868 1.175756  44.00317       1.558784  44.61715       2.228418  43.41492       2.181246  0.9047699      2.351513  
1 1 1 20  10 8  o 58.17178 1.093448  33.75730       1.269607  35.89006       1.868992  31.92988       1.730040  3.398365       2.186897  
1 1 1 20  10 9  o 84.40614 1.393303  71.35617       2.351165  72.99397       3.382885  69.82577       3.270083  1.870453       2.786606  
1 1 1 20  10 10 o 23.76777 1.080544  5.625974       0.5121792 5.225793       0.6936355 6.105762       0.7594986 -1.848074      2.161088  
1 1 1 20  10 11 o 46.72602 1.004191  21.84628       0.9378933 21.44463       1.300135  22.28207       1.354284  -0.8936615     2.008382  
1 1 1 20  10 12 o 22.98322 1.097665  5.266993       0.5034212 4.903286       0.6854813 5.692841       0.7417314 -1.714790      2.195330  
1 1 1 20  10 13 o 108.9252 1.714018  118.9152       3.728612  115.3094       5.110356  123.0198       5.452351  -3.510384      3.428036  
1 1 1 20  10 14 f 21.42016 1.160638  4.609597       0.4951432 4.751956       0.6764544 4.445295       0.7267211 0.7188644      2.321277  
1 1 1 20  10 15 o 29.46857 1.399479  8.697002       0.8248130 8.697002       0.8248130 ?              ?         ?              ?         
1 1 1 20  10 16 o 41.67174 0.7562881 17.30662       0.6287914 18.47098       0.9295959 16.32455       0.8537309 2.572166       1.512576  
1 1 1 20  10 17 o 50.07870 0.8625251 25.05238       0.8626623 26.20792       1.261715  24.03799       1.182146  2.162300       1.725050  
1 1 1 20  10 18 f 19.21825 0.5946130 3.688596       0.2262118 3.011336       0.3108938 4.450560       0.3297629 -3.743654      1.189226  
1 1 1 20  10 19 o 19.25971 0.5701191 3.703299       0.2192161 3.578394       0.2994423 3.847553       0.3218008 -0.6978683     1.140238  
1 1 1 20  10 20 o 20.08881 0.5878143 4.004015       0.2351118 3.665725       0.3150213 4.429390       0.3532493 -1.899055      1.175629  
1 1 1 20  10 21 o 93.00072 1.043100  86.58188       1.937900  84.23142       2.663989  89.22361       2.824236  -2.670250      2.086200  
1 1 1 20  10 22 o 50.11434 0.6798810 25.14489       0.6813759 25.50047       0.9628468 24.78818       0.9643769 0.7107658      1.359762  
1 1 1 20  10 23 o 48.70786 1.328173  23.85099       1.212695  23.87529       1.477601  23.80084       2.122576  0.1572838      2.656346  
1 1 1 20  10 24 o 10.16598 1.679626  1.112824       0.2360232 1.137892       0.2508669 0.9196035      0.6964840 0.9807425      3.359252  
1 1 1 20  10 25 o 8.847934 1.078766  0.7777017      0.1847744 0.6545066      0.2405042 0.9551682      0.2886584 -1.818268      2.157531  
1 1 1 20  10 26 o 53.53050 0.7172850 28.59146       0.7658764 27.25525       1.037890  30.18889       1.134814  -2.732124      1.434570  
1 1 1 20  10 27 o 50.64425 0.6961523 25.68897       0.7050396 26.25028       1.002478  25.13960       0.9917619 1.095627       1.392305  
1 1 1 20  10 28 o 34.49308 0.6283772 11.89529       0.4328411 11.57235       0.5930699 12.26337       0.6331538 -0.9983368     1.256754  
1 1 1 20  10 29 o 64.83729 0.8052707 42.10044       1.043604  43.39781       1.508204  40.90863       1.445549  1.912674       1.610541  
1 1 1 20  10 30 o 20.30086 0.7014762 4.135088       0.2828938 4.179079       0.3798163 4.080277       0.4239581 0.2478085      1.402952  
1 1 1 20  10 31 o 57.94128 0.7579589 33.56027       0.8767219 35.13301       1.288491  32.20438       1.196372  2.516899       1.515918  
1 1 1 20  10 32 o 57.31014 0.7553385 32.91866       0.8655986 32.21661       1.209961  33.65463       1.238832  -1.251011      1.510677  
1 1 1 20  10 33 o 42.06682 0.6720510 17.68595       0.5646160 18.77987       0.8249391 16.72189       0.7744276 2.440109       1.344102  
1 1 1 20  10 34 o 25.17958 0.6812848 6.359872       0.3428052 6.526383       0.4794312 6.185688       0.4903528 0.6778507      1.362570  
1 1 1 20  10 35 o 15.28440 0.8776339 2.348483       0.2665891 2.370423       0.3584127 2.321313       0.3988486 0.1673918      1.755268  
1 1 1 20  10 36 o 9.033087 1.547992  0.8688763      0.2690028 0.9066404      0.3347433 0.8000261      0.4519858 0.5653725      3.095984  
1 1 1 20  10 37 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  10 38 o 19.85965 0.7870929 3.946830       0.3118700 3.789926       0.4236111 4.132523       0.4608386 -0.8560562     1.574186  
1 1 1 20  10 39 o 40.21754 0.6873348 16.22647       0.5528112 16.30156       0.7778212 16.14984       0.7858265 0.1899223      1.374670  
1 1 1 20  10 40 o 15.47203 0.9748693 2.478445       0.2928696 2.972644       0.3996693 1.905338       0.4303959 3.456451       1.949739  
1 1 1 20  10 41 o 18.63539 1.010574  3.485902       0.3731112 3.413119       0.4926291 3.583824       0.5714101 -0.4380875     2.021149  
1 1 1 20  11 0  o 50.85428 1.028109  25.88200       1.045535  25.78577       1.465469  25.98176       1.492110  -0.1919136     2.056217  
1 1 1 20  11 1  o 89.80228 1.459367  80.75124       2.620312  82.36484       3.762189  79.23107       3.651646  1.739967       2.918734  
1 1 1 20  11 2  o 114.0591 1.780527  130.3665       4.059126  127.9388       5.622045  133.0101       5.866710  -2.209373      3.561054  
1 1 1 20  11 3  o 51.64417 1.043967  26.65701       1.077460  27.86595       1.560394  25.55529       1.489589  2.234676       2.087934  
1 1 1 20  11 4  o 67.66324 1.200907  45.82498       1.624406  45.19608       2.257493  46.50021       2.339199  -0.9603958     2.401814  
1 1 1 20  11 5  o 172.5950 2.608149  298.9465       8.980314  312.1610       13.27810  287.8063       12.19153  6.958145       5.216297  
1 1 1 20  11 6  o 19.71090 1.259612  3.833897       0.4884581 2.961848       0.6522385 4.947584       0.7370852 -5.033333      2.519225  
1 1 1 20  11 7  o 144.2703 2.206106  208.7764       6.353477  216.9863       9.337038  201.6970       8.670309  5.240723       4.412211  
1 1 1 20  11 8  o 82.59132 1.374580  68.26659       2.268323  70.63811       3.298705  66.13937       3.124191  2.713158       2.749159  
1 1 1 20  11 9  o 27.65730 1.038463  7.502266       0.5684710 6.403363       0.7455428 9.028518       0.8786304 -4.739674      2.076926  
1 1 1 20  11 10 o 34.78703 1.006755  12.11628       0.6988672 13.22809       1.000081  11.05515       0.9770176 3.122143       2.013509  
1 1 1 20  11 11 o 16.04601 1.447119  2.605567       0.4601444 2.855737       0.6313099 2.322034       0.6720876 1.665846       2.894238  
1 1 1 20  11 12 o 86.60564 1.428377  75.20071       2.473489  74.22691       3.451814  76.22847       3.546178  -1.148750      2.856753  
1 1 1 20  11 13 o 47.25764 1.040194  22.29375       0.9813098 21.14009       1.338850  23.63295       1.442502  -2.631798      2.080388  
1 1 1 20  11 14 o 152.0592 2.324209  232.7990       7.059419  226.5299       9.695874  239.8715       10.29840  -4.310364      4.648417  
1 1 1 20  11 15 o 29.41171 1.040928  8.676053       0.6115396 9.084332       0.8592282 8.256914       0.8705788 1.407291       2.081856  
1 1 1 20  11 16 o 102.2467 1.633659  104.9960       3.339540  103.4330       4.649014  106.6623       4.800264  -1.563583      3.267319  
1 1 1 20  11 17 f 29.35076 1.481707  8.633280       0.8697842 8.633280       0.8697842 ?              ?         ?              ?         
1 1 1 20  11 18 o 22.64579 0.5817555 5.129828       0.2633809 5.067676       0.3664601 5.196238       0.3787999 -0.2833519     1.163511  
1 1 1 20  11 19 o 5.791189 1.040519  0.3418494      0.1202162 0.2915593      0.1582764 0.4104176      0.1848148 -0.9639812     2.081037  
1 1 1 20  11 20 o 31.52904 0.6610210 10.12767       0.4082050 8.883586       0.6202147 11.07845       0.5421972 -3.484888      1.322042  
1 1 1 20  11 21 o 19.72749 1.993341  3.910796       0.7864720 3.910796       0.7864720 ?              ?         ?              ?         
1 1 1 20  11 22 o 31.21254 0.8816727 9.042433       0.4325369 8.637101       0.4760885 10.95875       1.035181  -3.673298      1.763345  
1 1 1 20  11 23 o 45.65350 0.6557536 20.68667       0.5960342 22.93657       0.8956954 18.89861       0.7984931 4.415783       1.311507  
1 1 1 20  11 24 o 54.29795 0.7168173 29.49145       0.7778425 30.46519       1.127268  28.60644       1.074686  1.707588       1.433635  
1 1 1 20  11 25 o 42.12002 0.8794658 17.75851       0.6534225 17.72834       0.7616274 17.84265       1.271825  -0.8580017E-01 1.758932  
1 1 1 20  11 26 f 5.587140 1.300500  0.2992970      0.1667481 0.3013677      0.2180575 0.2963808      0.2587695 -0.1211381     2.601001  
1 1 1 20  11 27 o 38.89994 0.6333681 15.15755       0.4926285 15.30599       0.6908479 15.00399       0.7026661 0.3891563      1.266736  
1 1 1 20  11 28 o 42.98709 0.6578177 18.50223       0.5654354 18.99166       0.8085936 18.03387       0.7909899 1.112480       1.315635  
1 1 1 20  11 29 o 20.17006 0.6776949 4.102423       0.2715977 4.471589       0.3757106 3.698352       0.3930717 1.918463       1.355390  
1 1 1 20  11 30 o 51.77151 0.7176210 26.57839       0.7379197 24.58702       0.9761264 29.23417       1.127267  -4.472198      1.435242  
1 1 1 20  11 31 o 31.61734 0.6405652 9.982416       0.4039194 9.606843       0.5472441 10.43190       0.5986705 -1.299482      1.281130  
1 1 1 20  11 32 o 32.67110 0.6351332 10.67894       0.4146883 11.21769       0.5997240 10.18537       0.5740347 1.577023       1.270266  
1 1 1 20  11 33 o 35.13292 0.6515686 12.31494       0.4566375 13.60861       0.6694464 11.18928       0.6244635 3.437935       1.303137  
1 1 1 20  11 34 o 22.96340 0.7005041 5.297904       0.3209406 5.496289       0.4442032 5.081241       0.4642151 0.9063091      1.401008  
1 1 1 20  11 35 o 9.905277 2.291142  0.9738516      0.5171226 0.9982326      0.8052601 0.9567403      0.6746076 0.3784456      4.582283  
1 1 1 20  11 36 o 52.73251 0.8038736 27.75879       0.8344465 27.06179       1.081699  28.78318       1.311356  -1.592892      1.607747  
1 1 1 20  11 37 o 17.08766 0.9189636 2.992074       0.3035642 3.187980       0.3904341 2.692626       0.4827078 1.467838       1.837927  
1 1 1 20  11 38 f 36.29794 0.8577223 13.18909       0.6194411 12.78019       0.8292957 13.70516       0.9316558 -1.253914      1.715445  
1 1 1 20  11 39 o 14.96078 0.9840937 2.316909       0.2861634 2.728369       0.3875250 1.823480       0.4243729 3.033089       1.968187  
1 1 1 20  11 40 o 11.57779 1.256409  1.287171       0.2821888 1.090375       0.3506580 1.648832       0.4753647 -2.373332      2.512818  
1 1 1 20  12 0  o 79.13342 1.333527  62.72203       2.110468  63.39175       2.995360  62.06181       2.974059  0.8393784      2.667054  
1 1 1 20  12 1  o 89.18958 1.454424  79.61257       2.592351  82.03538       3.758225  77.41348       3.580504  2.582367       2.908849  
1 1 1 20  12 2  o 87.40195 1.431917  76.48793       2.501614  75.02802       3.467954  78.07171       3.612078  -1.734161      2.863834  
1 1 1 20  12 3  o 39.20566 0.9722530 15.38764       0.7620358 15.95055       1.080338  14.83024       1.075044  1.428593       1.944506  
1 1 1 20  12 4  o 84.83315 1.402158  71.80821       2.371892  75.99146       3.523854  68.34303       3.207189  4.491318       2.804317  
1 1 1 20  12 5  o 49.00627 1.033602  24.00437       1.011966  23.19164       1.392130  24.91503       1.473618  -1.754917      2.067204  
1 1 1 20  12 6  o 115.7072 1.809007  134.2852       4.183124  137.7119       6.060246  131.1667       5.781271  2.806458       3.618014  
1 1 1 20  12 7  o 90.10818 1.472678  81.40206       2.653483  80.65813       3.709465  82.18162       3.797258  -0.8395691     2.945355  
1 1 1 20  12 8  o 60.12758 1.128036  36.18355       1.355661  35.43661       1.877283  36.99757       1.959763  -1.293774      2.256073  
1 1 1 20  12 9  o 10.91150 1.929581  1.211630       0.4225819 0.9242282      0.5626541 1.583524       0.6400387 -2.806148      3.859162  
1 1 1 20  12 10 o 26.07728 1.095219  6.806211       0.5707815 6.677159       0.7893192 6.947662       0.8263687 -0.5166359     2.190438  
1 1 1 20  12 11 o 72.17047 1.260994  52.01056       1.815887  55.07449       2.682487  49.41888       2.467115  3.904022       2.521987  
1 1 1 20  12 12 o 37.24195 1.010055  13.83414       0.7504939 13.09740       1.018744  14.70849       1.109811  -2.158039      2.020111  
1 1 1 20  12 13 o 35.40244 1.005685  12.55759       0.7112166 12.64469       0.9838569 12.46225       1.029306  0.2602005      2.011371  
1 1 1 20  12 14 o 26.04990 1.091726  6.774371       0.5665789 6.531761       0.7628815 7.072791       0.8460901 -1.033049      2.183452  
1 1 1 20  12 15 o 132.3248 2.050338  175.5840       5.403980  167.2935       7.258665  185.8930       8.094186  -6.915222      4.100676  
1 1 1 20  12 16 o 77.86664 1.337772  60.84710       2.083345  61.02880       2.952347  60.66686       2.940281  0.2312775      2.675545  
1 1 1 20  12 17 o 27.08066 1.116919  7.211181       0.5989258 6.099828       0.7891994 8.720532       0.9197209 -4.828455      2.233838  
1 1 1 20  12 18 o 54.71278 1.114710  29.94688       1.218373  31.75467       1.771955  28.32579       1.677964  3.125469       2.229420  
1 1 1 20  12 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  12 20 o 19.32441 0.8057432 3.737350       0.3114103 3.737350       0.3114103 ?              ?         ?              ?         
1 1 1 20  12 21 o 13.87875 0.6528682 1.935065       0.1805925 2.052002       0.2505926 1.808710       0.2604874 0.8771152      1.305736  
1 1 1 20  12 22 f 14.06573 0.6473144 1.923575       0.1787862 1.495861       0.2331674 2.533848       0.2785178 -3.686739      1.294629  
1 1 1 20  12 23 o 61.24698 0.7664284 37.56451       0.9386143 38.23133       1.345105  36.93169       1.310379  1.058125       1.532857  
1 1 1 20  12 24 o 11.46433 0.8185896 1.276538       0.1787832 0.8094332      0.2328407 1.947519       0.2790661 -4.959411      1.637179  
1 1 1 20  12 25 o 33.82106 0.6064032 11.43887       0.4098342 12.12028       0.5903628 10.80501       0.5693920 1.942898       1.212806  
1 1 1 20  12 26 o 23.95724 1.309016  5.777661       0.6270116 5.676265       0.8925456 5.876456       0.8810231 -0.4197826     2.618032  
1 1 1 20  12 27 o 5.808408 1.456288  0.2367482      0.2125039 0.4798807      0.3518193 0.9709537E-01  0.2666385 2.329175       2.912575  
1 1 1 20  12 28 o 41.34183 0.6484584 17.11072       0.5358955 16.83903       0.7438814 17.40384       0.7726801 -0.6804466     1.296917  
1 1 1 20  12 29 o 20.52013 0.6728675 4.129195       0.2731555 3.487067       0.3583417 5.019832       0.4220241 -3.728514      1.345735  
1 1 1 20  12 30 o 46.28366 0.6842929 21.46881       0.6333579 21.72681       0.8927868 21.20740       0.8986485 0.5617523      1.368586  
1 1 1 20  12 31 o 46.45916 0.6930565 21.63333       0.6438496 21.53433       0.9007303 21.73676       0.9206790 -0.2154541     1.386113  
1 1 1 20  12 32 o 14.50745 0.8287411 2.083875       0.2385624 1.897056       0.3141804 2.338251       0.3666122 -1.512905      1.657482  
1 1 1 20  12 33 o 63.36393 1.046964  40.55397       1.211039  39.93983       2.216451  40.81534       1.445960  -0.8345490     2.093927  
1 1 1 20  12 34 o 25.50742 1.072695  6.918384       0.5015316 7.634742       0.6184135 5.541866       0.8572455 4.150654       2.145389  
1 1 1 20  12 35 o 38.24990 0.6693458 14.65087       0.5117145 14.16418       0.7083179 15.18218       0.7400731 -1.326347      1.338692  
1 1 1 20  12 36 o 28.69301 0.6839224 8.228612       0.3909757 9.307229       0.5699187 7.269706       0.5373627 3.545612       1.367845  
1 1 1 20  12 37 o 16.99562 0.8472977 2.841400       0.2826769 2.167876       0.3737208 3.741965       0.4321441 -4.619789      1.694595  
1 1 1 20  12 38 o 12.22696 1.344218  1.776056       0.2826199 2.483355       0.3713217 0.8021055      0.4357300 6.987505       2.688437  
1 1 1 20  12 39 o 37.44929 0.8544751 14.10334       0.6390542 15.05941       0.9075955 13.16327       0.8999712 2.530014       1.708950  
1 1 1 20  12 40 f 27.60956 1.287701  0.000000       0.000000  ?              ?         7.668894       0.7110574 ?              ?         
1 1 1 20  13 0  o 61.24949 1.141293  37.33728       1.393291  40.37710       2.078031  34.85465       1.877947  4.499882       2.282585  
1 1 1 20  13 1  o 81.07002 1.360959  65.50278       2.198058  62.09922       2.954575  69.72134       3.289351  -4.683540      2.721918  
1 1 1 20  13 2  o 75.16621 1.290636  56.59735       1.940052  57.37303       2.767372  55.84772       2.720524  1.012161       2.581271  
1 1 1 20  13 3  f 57.92803 1.110702  33.44572       1.282678  31.69930       1.731379  35.57032       1.909657  -3.332726      2.221404  
1 1 1 20  13 4  o 100.3157 1.604535  100.8939       3.217525  99.08981       4.464600  102.8434       4.641065  -1.858315      3.209071  
1 1 1 20  13 5  f 81.69982 1.371463  66.90008       2.240695  66.35487       3.139810  67.46589       3.198650  -0.6762848     2.742926  
1 1 1 20  13 6  o 50.81398 1.056458  25.77970       1.072012  27.45160       1.568084  24.31265       1.468882  3.083817       2.112917  
1 1 1 20  13 7  o 68.27586 1.217797  46.49591       1.658511  49.66334       2.457437  43.84640       2.247566  4.247643       2.435593  
1 1 1 20  13 8  o 80.27129 1.355956  64.51304       2.174599  62.76616       2.993520  66.46489       3.164273  -2.292328      2.711913  
1 1 1 20  13 9  o 73.83714 1.279912  54.64328       1.889962  55.34615       2.692326  53.96044       2.653713  0.9357758      2.559824  
1 1 1 20  13 10 o 87.34325 1.447050  76.34800       2.522534  73.86167       3.437434  79.24944       3.713322  -3.062752      2.894100  
1 1 1 20  13 11 o 43.14761 1.020333  18.60504       0.8782629 18.08922       1.193536  19.21418       1.297008  -1.297787      2.040667  
1 1 1 20  13 12 o 31.24428 1.054909  9.739848       0.6565467 9.362241       0.8830234 10.20667       0.9818072 -1.345284      2.109817  
1 1 1 20  13 13 o 47.58552 1.060764  22.54277       1.006266  24.91359       1.492929  20.56902       1.362189  4.556255       2.121527  
1 1 1 20  13 14 o 68.78619 1.236764  47.13903       1.693610  44.32529       2.266568  50.69595       2.548374  -4.606659      2.473527  
1 1 1 20  13 15 o 47.34541 1.068017  22.42056       1.009839  21.65989       1.383471  23.28803       1.477409  -1.712395      2.136035  
1 1 1 20  13 16 f 47.24981 1.091365  22.25546       1.026343  21.19686       1.373196  23.59527       1.544858  -2.524433      2.182729  
1 1 1 20  13 17 o 74.27858 1.629925  53.45173       2.218840  60.63371       4.167559  50.61060       2.621229  6.547623       3.259850  
1 1 1 20  13 18 o 17.32240 1.553874  2.986296       0.5323424 2.819479       0.6948799 3.223294       0.8282518 -1.148090      3.107747  
1 1 1 20  13 19 o 89.88760 1.493261  81.15030       2.682117  83.71518       3.894689  78.83664       3.699042  2.687332       2.986521  
1 1 1 20  13 20 f 33.83260 1.096409  11.39133       0.7388453 10.35245       0.9935800 12.67641       1.105058  -3.422371      2.192818  
1 1 1 20  13 21 f 31.68699 1.658261  10.08147       1.050906  10.08147       1.050906  ?              ?         ?              ?         
1 1 1 20  13 22 o 33.63248 0.6826423 11.32666       0.4591128 11.27687       0.6432289 11.37837       0.6555126 -0.1499939     1.365285  
1 1 1 20  13 23 o 63.58141 0.9353883 39.10043       1.104624  44.40629       2.026061  36.85614       1.317693  5.861259       1.870777  
1 1 1 20  13 24 o 29.75173 0.5913751 8.836423       0.3512400 9.617125       0.5112607 8.138580       0.4833687 2.482769       1.182750  
1 1 1 20  13 25 o 29.02041 0.5968874 8.369277       0.3442261 9.830458       0.5095336 7.142507       0.4668771 4.627802       1.193775  
1 1 1 20  13 26 o 24.98748 0.5990672 6.257910       0.2991074 6.505144       0.4204405 6.004557       0.4256103 1.002098       1.198134  
1 1 1 20  13 27 o 42.88665 0.6574904 18.25705       0.5609390 16.85503       0.7475256 20.06398       0.8486341 -3.731773      1.314981  
1 1 1 20  13 28 f 44.94682 0.6709155 20.08720       0.6008072 22.19958       0.8973141 18.37064       0.8088887 4.250721       1.341831  
1 1 1 20  13 29 o 15.72857 0.7327474 2.473421       0.2290013 2.426414       0.3055448 2.533669       0.3459123 -0.3363419     1.465495  
1 1 1 20  13 30 o 15.00735 0.8108154 2.338535       0.2341581 2.928440       0.3220040 1.676506       0.3411213 4.173649       1.621631  
1 1 1 20  13 31 o 9.009178 1.212804  0.8369791      0.2079148 0.8009822      0.2706839 0.8887777      0.3247053 -0.4469824     2.425608  
1 1 1 20  13 32 o 62.04760 1.240888  38.78594       1.539547  37.92457       2.150889  39.69087       2.204600  -1.411270      2.481775  
1 1 1 20  13 33 o 35.28439 0.6594036 12.47785       0.4647982 12.43934       0.6416528 12.52036       0.6742024 -0.1106186     1.318807  
1 1 1 20  13 34 o 30.51046 0.6533076 9.225843       0.3963770 8.173668       0.5295646 10.56631       0.5977283 -3.912004      1.306615  
1 1 1 20  13 35 o 33.65279 0.6627353 11.34268       0.4455238 12.15487       0.6413644 10.58529       0.6193439 2.328758       1.325471  
1 1 1 20  13 36 o 28.24167 0.6661971 7.990760       0.3760306 7.806136       0.5201962 8.192807       0.5441900 -0.6810036     1.332394  
1 1 1 20  13 37 o 32.07671 0.6702884 10.29536       0.4291079 11.28618       0.6224227 9.397848       0.5923909 2.938643       1.340577  
1 1 1 20  13 38 o 37.18507 0.6835819 13.87536       0.5082763 14.15748       0.7174088 13.59102       0.7202221 0.7621498      1.367164  
1 1 1 20  13 39 f 18.39561 0.9551429 3.425228       0.3478329 3.559394       0.4655893 3.255762       0.5232671 0.8390827      1.910286  
1 1 1 20  14 0  o 38.67374 1.002751  14.95044       0.7742842 14.57435       1.059315  15.38184       1.134560  -1.040649      2.005503  
1 1 1 20  14 1  o 44.07156 1.015686  19.15081       0.8876175 17.21149       1.166120  21.82213       1.368618  -5.221619      2.031373  
1 1 1 20  14 2  o 33.76688 1.005866  11.35735       0.6774668 10.57583       0.9184402 12.29003       1.003345  -2.534409      2.011732  
1 1 1 20  14 3  o 58.60220 1.119592  34.23432       1.307787  32.51054       1.763654  36.33992       1.949217  -3.257648      2.239185  
1 1 1 20  14 4  o 58.48689 1.125063  33.86245       1.305156  31.31789       1.716918  37.34571       2.008800  -5.137524      2.250127  
1 1 1 20  14 5  o 64.21104 1.180739  41.20527       1.513785  39.57742       2.068925  43.08082       2.220760  -2.719223      2.361478  
1 1 1 20  14 6  o 75.98386 1.309281  57.87514       1.989562  57.59961       2.795580  58.15793       2.832106  -0.3649521     2.618562  
1 1 1 20  14 7  o 61.47569 1.155771  37.82147       1.419817  36.79808       1.959163  38.95350       2.060519  -1.746872      2.311542  
1 1 1 20  14 8  o 62.98506 1.168457  39.74697       1.471768  40.45728       2.096694  39.05703       2.066425  1.109657       2.336913  
1 1 1 20  14 9  o 77.29116 1.331637  59.89563       2.058099  59.42841       2.878716  60.38412       2.943549  -0.6134644     2.663275  
1 1 1 20  14 10 o 62.69553 1.176654  39.33653       1.473646  38.24191       2.025102  40.56857       2.148466  -1.847099      2.353308  
1 1 1 20  14 11 o 34.85807 1.056473  12.17673       0.7363006 12.25742       1.030433  12.09256       1.052490  0.2379341      2.112945  
1 1 1 20  14 12 o 32.80496 1.080265  10.67885       0.7048028 9.791282       0.9381744 11.82873       1.067853  -3.095825      2.160529  
1 1 1 20  14 13 o 54.88840 1.133359  30.19902       1.243755  30.00959       1.734418  30.39955       1.784522  -0.3512459     2.266717  
1 1 1 20  14 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  14 15 o 62.57069 1.190098  39.10130       1.484597  37.25314       2.005187  41.34346       2.208597  -3.249935      2.380197  
1 1 1 20  14 16 f 33.65083 1.098951  11.36844       0.7375885 12.42074       1.048675  10.33819       1.037628  3.093361       2.197902  
1 1 1 20  14 17 o 57.81709 1.155463  33.53828       1.336061  33.61004       1.882616  33.46547       1.896411  0.1264076      2.310925  
1 1 1 20  14 18 o 42.37332 1.077310  18.02234       0.9123521 18.62674       1.283026  17.40411       1.297619  1.444160       2.154620  
1 1 1 20  14 19 o 45.07973 1.084780  20.39093       0.9779177 20.39081       1.372554  20.39106       1.393657  0.2059937E-02  2.169560  
1 1 1 20  14 20 f 53.48441 1.121553  28.68358       1.199041  29.99170       1.725425  27.46188       1.667460  2.358173       2.243106  
1 1 1 20  14 21 o 44.54881 1.095733  19.73287       0.9714991 17.96792       1.298953  21.97342       1.463540  -4.475742      2.191466  
1 1 1 20  14 22 o 68.33398 1.271336  46.86885       1.735949  48.81409       2.520902  45.11452       2.394015  2.688034       2.542671  
1 1 1 20  14 23 o 9.084129 0.6879933 0.8090249      0.1236349 0.6821074      0.1622135 0.9849471      0.1909794 -1.664390      1.375987  
1 1 1 20  14 24 o 60.69757 1.002049  36.55883       1.206402  33.89580       1.587302  40.20107       1.856333  -5.158195      2.004098  
1 1 1 20  14 25 o 30.44239 0.5882977 9.263967       0.3577832 8.960774       0.4919772 9.604319       0.5212548 -1.054640      1.176595  
1 1 1 20  14 26 o 32.35271 0.6039881 10.41011       0.3892726 9.685803       0.5229070 11.31050       0.5830140 -2.505732      1.207976  
1 1 1 20  14 27 o 9.425166 1.039971  0.9749326      0.1780529 1.237003       0.2357865 0.6271915      0.2716052 3.367869       2.079942  
1 1 1 20  14 28 o 23.59560 0.6290305 5.595217       0.2947567 6.420094       0.4198657 4.793629       0.4138963 3.445961       1.258061  
1 1 1 20  14 29 o 21.60341 0.6450433 4.624473       0.2771398 4.141409       0.3696893 5.244255       0.4187493 -2.547005      1.290087  
1 1 1 20  14 30 o 32.06423 1.223263  10.36026       0.7839375 10.42762       1.090993  10.28835       1.127204  0.2249737      2.446526  
1 1 1 20  14 31 o 46.41221 0.6941330 21.32156       0.6395644 19.42556       0.8440847 23.87744       0.9800233 -4.778950      1.388266  
1 1 1 20  14 32 o 47.66235 0.7093998 22.77723       0.6759977 22.67791       0.9427051 22.88235       0.9698844 -0.2107086     1.418800  
1 1 1 20  14 33 o 48.08575 0.7151712 23.17013       0.6873570 22.66413       0.9518096 23.72163       0.9936810 -1.093571      1.430342  
1 1 1 20  14 34 o 34.63124 0.6512513 12.00196       0.4506048 12.74499       0.6530387 11.32667       0.6225565 2.043316       1.302503  
1 1 1 20  14 35 o 27.35115 0.6585113 7.502920       0.3601354 7.610097       0.5062966 7.393156       0.5123746 0.3974724      1.317023  
1 1 1 20  14 36 f 45.62837 0.6985157 20.86580       0.6371024 21.59952       0.9191794 20.18739       0.8838562 1.541580       1.397031  
1 1 1 20  14 37 o 19.12808 0.7621022 3.680606       0.2900071 3.743039       0.3924053 3.605462       0.4305008 0.3669052      1.524204  
1 1 1 20  14 38 o 37.33682 0.8283381 14.02227       0.6176804 14.83941       0.8720094 13.19939       0.8750628 2.196873       1.656676  
1 1 1 20  15 0  o 14.93276 1.738045  2.428486       0.4735383 3.703029       0.6717681 1.169635       0.6676199 8.581568       3.476089  
1 1 1 20  15 1  o 117.6119 1.845342  138.9725       4.340635  138.7664       6.122376  139.1809       6.154922  -0.1733093     3.690684  
1 1 1 20  15 2  o 42.18224 1.041375  17.82013       0.8782550 18.44837       1.248053  17.20386       1.236113  1.474537       2.082750  
1 1 1 20  15 3  o 123.0619 1.922570  152.2572       4.731880  152.2644       6.681853  152.2500       6.701970  0.7843018E-02  3.845140  
1 1 1 20  15 4  f 35.60287 1.037846  12.57848       0.7350882 11.58147       0.9798571 13.86191       1.111729  -3.195370      2.075691  
1 1 1 20  15 5  o 43.53513 1.060262  18.86612       0.9198627 21.19942       1.359075  16.89366       1.249577  4.938904       2.120523  
1 1 1 20  15 6  o 59.88589 1.154604  35.88842       1.381263  34.98835       1.899150  36.89923       2.012584  -1.588245      2.309208  
1 1 1 20  15 7  o 60.85814 1.168291  37.11143       1.421686  36.82526       1.986665  37.41180       2.035356  -0.4786758     2.336583  
1 1 1 20  15 8  o 74.20761 1.306471  55.11078       1.935605  53.40092       2.645235  57.08148       2.839831  -2.464790      2.612941  
1 1 1 20  15 9  o 51.51630 1.106162  26.56269       1.138889  27.93152       1.643210  25.29728       1.579918  2.552219       2.212325  
1 1 1 20  15 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  15 11 o 99.05762 1.618301  98.52501       3.203176  96.21881       4.418153  101.0804       4.650741  -2.427513      3.236601  
1 1 1 20  15 12 o 91.71425 1.521479  84.46215       2.790024  86.24162       4.004888  82.78414       3.889042  1.872467       3.042958  
1 1 1 20  15 13 o 51.94049 1.113420  27.02338       1.154854  26.59528       1.584448  27.50856       1.686770  -0.8705139     2.226840  
1 1 1 20  15 14 o 47.17476 1.083390  21.77868       1.008214  19.16108       1.301308  25.70948       1.594661  -6.914574      2.166780  
1 1 1 20  15 15 o 59.10278 1.163314  35.03185       1.374316  34.66137       1.907333  35.43190       1.981967  -0.6444473     2.326628  
1 1 1 20  15 16 o 47.39750 1.094874  22.41622       1.033858  21.27038       1.389907  23.83542       1.546844  -2.690243      2.189749  
1 1 1 20  15 17 o 53.60110 1.137583  28.69703       1.215641  27.18880       1.641307  30.52979       1.809297  -3.097591      2.275166  
1 1 1 20  15 18 o 18.12399 1.614821  3.262233       0.5709127 2.364773       0.7617817 4.412207       0.8623177 -5.631798      3.229642  
1 1 1 20  15 19 o 56.09122 1.162388  31.53966       1.302937  33.11464       1.886433  30.10291       1.801744  2.674141       2.324776  
1 1 1 20  15 20 o 45.97227 1.105270  21.15985       1.014122  20.37776       1.381421  22.07400       1.493496  -1.830799      2.210541  
1 1 1 20  15 21 o 50.02359 1.132494  25.02294       1.130550  27.06977       1.663891  23.26759       1.540866  3.783638       2.264987  
1 1 1 20  15 22 o 7.591071 2.188617  0.2296038      0.5236064 0.2881347      0.7145349 0.1617220      0.7694987 0.1013899      4.377234  
1 1 1 20  15 23 f 56.50679 1.177531  32.04510       1.329139  31.07836       1.825744  33.13517       1.938713  -1.802097      2.355061  
1 1 1 20  15 24 o 40.00681 1.586776  16.08358       1.269637  16.08358       1.269637  ?              ?         ?              ?         
1 1 1 20  15 25 o 29.05507 0.6427601 8.444111       0.3731280 8.997903       0.5381348 7.931349       0.5178168 1.833515       1.285520  
1 1 1 20  15 26 o 34.94244 0.6605189 12.18096       0.4566014 12.56987       0.7040767 11.89868       0.5998400 0.9503059      1.321038  
1 1 1 20  15 27 o 29.88413 0.6002389 8.945746       0.3584547 9.431467       0.5100392 8.471684       0.5038801 1.605253       1.200478  
1 1 1 20  15 28 o 8.863782 2.356665  0.5530093      0.5819246 0.2147749      0.8069330 0.9195263      0.8399932 -2.121973      4.713329  
1 1 1 20  15 29 o 73.50334 0.9753090 54.16425       1.408851  53.64787       1.825884  54.92403       2.214798  -0.8014297     1.950618  
1 1 1 20  15 30 f 33.26532 1.255110  11.06347       0.8307010 9.650779       1.123342  12.76825       1.234019  -4.660589      2.510220  
1 1 1 20  15 31 o 11.83912 0.9033786 1.403358       0.2114844 1.378134       0.2777652 1.438148       0.3262100 -0.2449198     1.806757  
1 1 1 20  15 32 o 41.09363 0.6774746 16.83568       0.5546329 15.90734       0.7454290 17.98697       0.8301282 -2.518753      1.354949  
1 1 1 20  15 33 o 17.78623 0.7596921 3.223896       0.2654968 3.520556       0.3549469 2.847110       0.4000192 1.900726       1.519384  
1 1 1 20  15 34 o 25.55787 0.6761035 6.581807       0.3438678 6.992143       0.4734471 6.123666       0.5002654 1.703047       1.352207  
1 1 1 20  15 35 f 26.70932 0.6581212 7.155501       0.3513896 7.188942       0.4900208 7.120102       0.5041606 0.1310616      1.316242  
1 1 1 20  15 36 o 44.81031 0.7026681 20.14979       0.6296835 19.79603       0.8878798 20.50777       0.8931575 -0.7932434     1.405336  
1 1 1 20  15 37 o 12.94908 1.040768  1.671612       0.2644398 1.602005       0.3392839 1.779336       0.4220771 -0.6635046     2.081537  
1 1 1 20  16 0  o 101.2526 1.634055  102.8509       3.306740  100.8767       4.575679  105.0092       4.784159  -2.022591      3.268109  
1 1 1 20  16 1  o 68.71201 1.238499  47.29039       1.700893  46.45387       2.355597  48.20165       2.458556  -1.264954      2.476998  
1 1 1 20  16 2  o 76.30635 1.328870  58.28030       2.025812  60.60161       2.950498  56.21002       2.786401  2.865715       2.657739  
1 1 1 20  16 3  f 38.71673 1.050067  14.99175       0.8116751 14.63535       1.110158  15.40108       1.189733  -0.9842491     2.100133  
1 1 1 20  16 4  o 53.71729 1.119297  28.91274       1.202224  29.77590       1.707483  28.06416       1.693011  1.592365       2.238594  
1 1 1 20  16 5  o 54.23447 1.460992  29.82241       1.481122  30.39549       1.808431  28.65478       2.581343  1.670528       2.921984  
1 1 1 20  16 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  16 7  o 79.99166 1.383265  64.20154       2.212470  63.40182       3.088735  65.04425       3.170684  -1.018967      2.766531  
1 1 1 20  16 8  o 34.05191 1.108045  11.63956       0.7533832 11.97902       1.045853  11.27343       1.086181  1.039181       2.216090  
1 1 1 20  16 9  o 72.16183 1.297531  51.93234       1.864543  49.05894       2.499720  55.53593       2.799375  -4.460579      2.595062  
1 1 1 20  16 10 o 34.64436 1.118171  12.02012       0.7719767 13.47333       1.113090  10.67330       1.071573  4.037796       2.236343  
1 1 1 20  16 11 o 51.09280 1.113319  26.16263       1.136863  27.56224       1.626014  24.82414       1.590120  2.676460       2.226638  
1 1 1 20  16 12 f 72.19089 1.303130  52.24776       1.879688  50.73392       2.590282  53.93171       2.731932  -2.199669      2.606260  
1 1 1 20  16 13 o 32.15716 1.140188  10.39783       0.7297199 11.65864       1.037304  9.162569       1.026737  3.880024       2.280375  
1 1 1 20  16 14 o 30.37362 1.163364  9.195036       0.7039169 8.575246       0.9454493 9.965929       1.054419  -2.277826      2.326728  
1 1 1 20  16 15 o 81.22607 1.402601  65.68639       2.261660  61.33635       2.986835  71.53255       3.462581  -6.211174      2.805202  
1 1 1 20  16 16 o 20.34976 1.512367  3.998235       0.5857568 2.543120       0.7555193 6.190900       0.9274338 -8.936656      3.024733  
1 1 1 20  16 17 f 72.45604 1.315262  52.64108       1.902668  50.68981       2.599383  54.89311       2.792547  -2.873718      2.630525  
1 1 1 20  16 18 o 30.57668 1.189789  9.267736       0.7219068 8.442692       0.9509931 10.38968       1.108981  -3.162910      2.379578  
1 1 1 20  16 19 o 84.71826 1.460197  72.17319       2.471129  70.23139       3.396106  74.35807       3.602422  -2.400169      2.920394  
1 1 1 20  16 20 o 47.69495 1.131398  22.86026       1.078611  23.72093       1.523758  21.99590       1.527021  1.808865       2.262796  
1 1 1 20  16 21 o 36.46676 1.158180  13.38082       0.8432251 13.69161       1.167006  13.04130       1.219742  0.8996544      2.316360  
1 1 1 20  16 22 f 30.60026 1.214414  9.411641       0.7420409 9.329135       1.018971  9.504798       1.082738  -0.2765255     2.428827  
1 1 1 20  16 23 o 52.12284 1.173275  27.31762       1.222785  28.08745       1.732908  26.55420       1.725674  1.469627       2.346550  
1 1 1 20  16 24 f 8.252320 2.271850  0.3587731      0.5705012 0.7934668      0.7680546 -0.1762536     0.8520952 2.217920       4.543699  
1 1 1 20  16 25 o 11.09689 2.471751  1.247385       0.6072156 1.217393       0.8013169 1.287833       0.9305713 -0.4129667     4.943502  
1 1 1 20  16 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  16 27 o 10.25186 1.050171  1.160468       0.1798635 1.268371       0.2132529 0.8945231      0.3347904 1.995607       2.100341  
1 1 1 20  16 28 o 23.65819 0.6004059 5.614800       0.2832647 6.142672       0.4023503 5.096032       0.3988660 2.211634       1.200812  
1 1 1 20  16 29 o 16.30073 0.6944960 2.707500       0.2222766 3.208583       0.3088920 2.169392       0.3201008 3.188964       1.388992  
1 1 1 20  16 30 o 43.96200 0.6781619 19.37556       0.5962489 19.30756       0.8393896 19.44481       0.8471097 -0.1550713     1.356324  
1 1 1 20  16 31 o 23.05742 0.7572658 5.491419       0.3386064 4.163305       0.4962734 6.648228       0.4631630 -5.393515      1.514532  
1 1 1 20  16 32 f 69.85973 0.8701560 49.03219       1.215678  48.63706       1.706108  49.43971       1.732657  -0.5693054     1.740312  
1 1 1 20  16 33 f 26.53523 0.6556901 7.065818       0.3469780 7.137461       0.4744207 6.983420       0.5087811 0.2952671      1.311380  
1 1 1 20  16 34 o 16.67236 0.8004021 2.855421       0.2607354 3.348378       0.3559761 2.284856       0.3829733 3.194480       1.600804  
1 1 1 20  16 35 o 23.01949 0.6942015 5.232093       0.3170117 4.605604       0.4180454 6.079861       0.4863008 -3.190248      1.388403  
1 1 1 20  16 36 o 42.34354 1.740083  0.000000       0.000000  ?              ?         18.11901       1.473625  ?              ?         
1 1 1 20  17 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  17 1  o 70.44347 1.820283  0.000000       0.000000  ?              ?         49.76204       2.564541  ?              ?         
1 1 1 20  17 2  o 66.17802 1.227758  43.89048       1.624604  45.15335       2.326142  42.68787       2.269960  1.858452       2.455516  
1 1 1 20  17 3  o 23.25308 1.311254  5.491713       0.5965773 6.853819       0.8486461 4.160982       0.8388152 5.789455       2.622509  
1 1 1 20  17 4  o 48.61964 1.099831  23.64355       1.067603  22.88511       1.458957  24.51781       1.566400  -1.670918      2.199663  
1 1 1 20  17 5  f 72.05913 1.290703  51.50499       1.844638  47.79430       2.426419  56.58636       2.839420  -6.063103      2.581406  
1 1 1 20  17 6  o 18.07580 1.537697  3.300832       0.5486788 3.405954       0.7267780 3.161516       0.8366736 0.6879158      3.075393  
1 1 1 20  17 7  o 74.16714 1.323385  55.11705       1.960730  53.56239       2.695198  56.86485       2.857717  -2.211082      2.646770  
1 1 1 20  17 8  o 46.43446 1.088531  21.59369       1.009403  21.23057       1.385261  22.00474       1.473881  -0.8263664     2.177062  
1 1 1 20  17 9  o 61.56632 1.201730  37.90114       1.477136  40.31052       2.167702  35.81249       2.018265  3.638599       2.403460  
1 1 1 20  17 10 o 21.85331 1.398356  4.823834       0.6078067 5.203017       0.8407000 4.408590       0.8797673 1.822168       2.796711  
1 1 1 20  17 11 o 38.38606 1.121372  14.41226       0.8500971 12.13828       1.106896  17.68222       1.327346  -7.199875      2.242745  
1 1 1 20  17 12 o 88.78421 1.499245  79.28434       2.662059  79.10762       3.744658  79.46491       3.785108  -0.1956482     2.998490  
1 1 1 20  17 13 f 52.09586 1.146560  27.24788       1.194100  27.58672       1.670704  26.89403       1.707316  0.6689568      2.293121  
1 1 1 20  17 14 o 31.25618 1.198445  9.870964       0.7444810 10.80146       1.033410  8.866980       1.073442  3.099508       2.396890  
1 1 1 20  17 15 o 33.61570 1.153127  11.32293       0.7728857 11.07757       1.047818  11.61574       1.144639  -0.7886810     2.306254  
1 1 1 20  17 16 o 65.40422 1.254001  42.99236       1.640028  43.34074       2.302810  42.63380       2.336250  0.5450516      2.508003  
1 1 1 20  17 17 o 18.68751 1.598091  3.413319       0.5865217 2.677386       0.7623827 4.480544       0.9180828 -4.795755      3.196183  
1 1 1 20  17 18 o 84.58264 1.456968  71.97820       2.462375  70.11371       3.394632  74.04860       3.577184  -2.293541      2.913936  
1 1 1 20  17 19 o 35.15414 1.201293  12.49655       0.8395380 13.62492       1.164732  11.27635       1.211203  3.347557       2.402585  
1 1 1 20  17 20 o 41.03725 1.139324  16.92675       0.9342846 17.84360       1.328001  16.02823       1.314655  2.209801       2.278648  
1 1 1 20  17 21 o 32.81323 1.237375  10.84852       0.8022138 13.13466       1.159202  8.747358       1.111315  6.677237       2.474751  
1 1 1 20  17 22 o 42.00803 1.168459  17.76656       0.9800177 18.92083       1.384051  16.60593       1.387865  2.755943       2.336918  
1 1 1 20  17 23 o 26.19843 1.450614  7.062587       0.7414508 8.644591       1.034264  5.389926       1.063486  6.217632       2.901228  
1 1 1 20  17 24 o 37.83850 1.180119  14.34986       0.8908358 13.66105       1.208660  15.16907       1.318108  -1.972645      2.360238  
1 1 1 20  17 25 o 32.89121 1.237747  10.90435       0.8136557 11.10706       1.136611  10.69127       1.165290  0.6381187      2.475494  
1 1 1 20  17 26 o 25.45489 1.518295  6.674077       0.7568772 7.962094       1.049710  5.279333       1.092334  5.280811       3.036590  
1 1 1 20  17 27 o 34.68699 1.767911  12.12636       1.226470  12.12636       1.226470  ?              ?         ?              ?         
1 1 1 20  17 28 o 49.66111 0.8605947 24.62152       0.8518378 26.41211       1.270613  23.15971       1.148050  3.254814       1.721189  
1 1 1 20  17 29 o 14.90629 0.6756207 2.249143       0.1992687 2.568518       0.2778612 1.910952       0.2859291 2.206736       1.351241  
1 1 1 20  17 30 o 14.31326 0.7138287 2.097738       0.2001009 2.415434       0.2720329 1.723176       0.2953770 2.421654       1.427657  
1 1 1 20  17 31 o 23.92237 0.6241887 5.738256       0.2979114 5.757294       0.4076831 5.716439       0.4364023 0.8938026E-01  1.248377  
1 1 1 20  17 32 o 21.87733 0.6598428 4.814172       0.2874744 4.990193       0.3933073 4.612273       0.4212276 0.8678493      1.319686  
1 1 1 20  17 33 o 22.93248 0.6619985 5.290626       0.3024089 5.493473       0.4146160 5.060056       0.4420419 0.9493141      1.323997  
1 1 1 20  17 34 o 31.56760 1.056592  9.319277       0.5246681 11.25478       1.251958  8.906934       0.5778599 3.545515       2.113183  
1 1 1 20  17 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  18 0  o 66.26858 1.742277  44.04737       2.309164  44.04737       2.309164  ?              ?         ?              ?         
1 1 1 20  18 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  18 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  18 3  o 119.0781 2.698599  0.000000       0.000000  ?              ?         142.8260       6.426878  ?              ?         
1 1 1 20  18 4  o 103.6074 1.683194  107.5007       3.476084  102.5612       4.689415  113.5249       5.178786  -5.230835      3.366389  
1 1 1 20  18 5  o 31.55463 1.132528  9.877090       0.7105884 8.981885       0.9451890 11.04075       1.077634  -3.250835      2.265057  
1 1 1 20  18 6  o 30.24425 1.159092  8.942606       0.6919965 7.676203       0.8966395 10.80795       1.088206  -5.159475      2.318184  
1 1 1 20  18 7  o 20.54802 1.462057  4.218900       0.5990831 3.900133       0.8111999 4.601342       0.8885344 -1.696844      2.924114  
1 1 1 20  18 8  o 50.68489 1.133743  25.75961       1.148198  25.54143       1.586799  25.99940       1.663510  -0.4443054     2.267487  
1 1 1 20  18 9  o 7.683839 2.218284  0.2242678      0.5375071 0.2635557      0.7231811 0.1757759      0.8034372 -0.1124277     4.436568  
1 1 1 20  18 10 o 8.969826 2.286450  0.6783879      0.5317398 0.8671518      0.7168319 0.4474389      0.7928951 1.121187       4.572901  
1 1 1 20  18 11 o 14.86725 1.997859  2.323711       0.5745758 2.694823       0.7827950 1.890219       0.8460299 2.963190       3.995718  
1 1 1 20  18 12 o 38.98170 1.138236  15.26263       0.8867005 15.94454       1.252926  14.57841       1.255044  1.752518       2.276473  
1 1 1 20  18 13 o 24.51323 1.416598  6.123426       0.6815636 7.441682       0.9615234 4.792185       0.9662470 5.404915       2.833197  
1 1 1 20  18 14 o 32.24827 1.210846  10.49605       0.7748302 12.04266       1.098455  8.964437       1.093115  4.771978       2.421692  
1 1 1 20  18 15 o 13.30079 2.192569  1.788358       0.5689654 1.373732       0.7332677 2.415687       0.9019499 -3.716355      4.385139  
1 1 1 20  18 16 o 36.96988 1.186547  13.72687       0.8744575 15.27777       1.256981  12.27231       1.217312  4.059006       2.373094  
1 1 1 20  18 17 o 46.13353 1.149169  21.36475       1.058661  23.08162       1.521446  19.75324       1.474025  3.600330       2.298337  
1 1 1 20  18 18 o 25.88316 1.346166  6.773666       0.6934996 7.126697       0.9518992 6.374327       1.012408  1.464281       2.692333  
1 1 1 20  18 19 o 52.94992 1.190503  28.12646       1.259204  30.03468       1.828195  26.40410       1.736879  3.413494       2.381006  
1 1 1 20  18 20 f 30.88805 1.269141  9.664169       0.7780303 10.88009       1.090421  8.403158       1.110454  4.013109       2.538283  
1 1 1 20  18 21 o 79.57544 1.426978  63.85526       2.270995  64.45327       3.216311  63.26067       3.207052  0.7474213      2.853957  
1 1 1 20  18 22 o 27.89874 1.386072  7.981523       0.7596180 9.256792       1.044760  6.551298       1.106414  4.861414       2.772144  
1 1 1 20  18 23 o 34.26581 1.248898  11.85273       0.8523882 12.15454       1.163139  11.50263       1.252762  0.9695854      2.497796  
1 1 1 20  18 24 o 60.33404 1.260452  36.39175       1.512835  33.96421       2.016318  39.51852       2.288353  -4.542915      2.520905  
1 1 1 20  18 25 o 26.84015 1.404883  7.291129       0.7512584 7.488381       1.027177  7.064256       1.101603  0.8085022      2.809767  
1 1 1 20  18 26 o 45.92731 1.220427  21.26423       1.120454  21.80000       1.574347  20.71432       1.594978  1.186501       2.440853  
1 1 1 20  18 27 o 22.14295 1.602918  4.994508       0.7063531 5.302429       0.9729907 4.651407       1.027070  1.486710       3.205835  
1 1 1 20  18 28 o 12.36618 2.594783  1.620657       0.6906079 1.792090       0.9416545 1.421123       1.015900  1.159118       5.189567  
1 1 1 20  18 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  18 30 o 31.03303 0.6675896 9.642309       0.4137946 9.384509       0.5679374 9.934009       0.6041257 -0.8800106     1.335179  
1 1 1 20  18 31 o 37.78018 0.6479103 14.17704       0.4872296 16.05838       0.7300563 12.66611       0.6542526 4.478313       1.295821  
1 1 1 20  18 32 o 16.08732 0.8209770 2.592365       0.2600653 2.643584       0.4067619 2.556952       0.3382252 0.2555494      1.641954  
1 1 1 20  18 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  18 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  19 0  o 60.67111 1.193441  36.78575       1.443457  35.32143       1.949907  38.56107       2.147012  -2.651829      2.386882  
1 1 1 20  19 1  o 22.41928 1.304084  5.064995       0.5821480 5.321254       0.8001251 4.776765       0.8485724 1.219324       2.608167  
1 1 1 20  19 2  o 100.3594 1.646810  101.3451       3.305373  102.3130       4.690790  100.3906       4.658386  0.9533997      3.293620  
1 1 1 20  19 3  o 30.58718 1.599324  9.383944       0.9783764 9.383944       0.9783764 ?              ?         ?              ?         
1 1 1 20  19 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  19 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  19 6  o 42.78550 1.635208  0.000000       0.000000  ?              ?         18.36934       1.399264  ?              ?         
1 1 1 20  19 7  f 51.30843 1.152388  26.26265       1.178971  28.96669       1.745055  23.99197       1.599121  4.831657       2.304776  
1 1 1 20  19 8  o 35.46532 1.155178  12.58791       0.8164776 12.20048       1.102272  13.05890       1.215337  -1.196980      2.310356  
1 1 1 20  19 9  o 28.13790 1.250114  7.947311       0.7007737 7.881042       0.9482534 8.027056       1.040204  -0.2474937     2.500229  
1 1 1 20  19 10 o 11.53075 2.316876  1.346802       0.5734280 0.9221980      0.7824509 1.839439       0.8428080 -3.338845      4.633752  
1 1 1 20  19 11 o 14.60789 2.083055  2.271607       0.5935946 2.932611       0.8218125 1.550578       0.8583156 4.882071       4.166110  
1 1 1 20  19 12 o 55.64955 1.197579  31.11958       1.332523  31.81026       1.878587  30.42019       1.890411  1.250553       2.395159  
1 1 1 20  19 13 o 19.79339 1.669152  3.998793       0.6519846 4.648833       0.9105667 3.314909       0.9339697 3.374186       3.338304  
1 1 1 20  19 14 o 62.97526 1.252915  39.39967       1.564714  36.42320       2.056853  43.48837       2.410717  -5.554523      2.505830  
1 1 1 20  19 15 o 12.63835 2.342142  1.644559       0.5974415 1.355205       0.7841632 2.044912       0.9223858 -2.491575      4.684285  
1 1 1 20  19 16 o 44.38368 1.182316  19.51892       1.041846  17.30103       1.378263  22.47582       1.591399  -5.795719      2.364632  
1 1 1 20  19 17 f 17.98084 1.764305  3.255633       0.6319548 3.099734       0.8494086 3.448913       0.9457761 -0.9477730     3.528610  
1 1 1 20  19 18 o 41.13872 1.192194  17.04111       0.9796419 17.63472       1.367870  16.41603       1.403669  1.487221       2.384388  
1 1 1 20  19 19 o 27.34088 1.393332  7.641518       0.7504743 8.818491       1.037687  6.350812       1.086668  4.522629       2.786664  
1 1 1 20  19 20 o 38.77992 1.226832  15.16233       0.9488442 16.46088       1.341482  13.86228       1.342255  3.350594       2.453663  
1 1 1 20  19 21 o 54.74246 1.223449  29.87473       1.330476  27.75893       1.761572  32.68448       2.030006  -4.446098      2.446899  
1 1 1 20  19 22 o 52.70274 1.238706  28.00875       1.303900  29.67856       1.844083  26.33926       1.843902  3.168018       2.477412  
1 1 1 20  19 23 o 51.81911 1.236412  27.04563       1.280753  26.72175       1.779028  27.39408       1.845307  -0.6342812     2.472824  
1 1 1 20  19 24 o 28.44716 1.447300  8.250555       0.8156087 9.259277       1.131991  7.161565       1.176167  3.698303       2.894600  
1 1 1 20  19 25 o 50.30997 1.234611  25.43871       1.239388  24.45799       1.684990  26.59476       1.829422  -2.090252      2.469221  
1 1 1 20  19 26 o 37.16709 1.302555  13.96409       0.9667991 14.41835       1.345995  13.47994       1.389567  1.273651       2.605110  
1 1 1 20  19 27 o 33.32997 1.358057  11.24337       0.9029381 11.48066       1.241230  10.97665       1.315936  0.7768135      2.716114  
1 1 1 20  19 28 o 46.72230 1.269162  21.98318       1.183966  20.85170       1.618299  23.28633       1.736729  -2.571815      2.538324  
1 1 1 20  19 29 o 33.18637 1.422319  11.09434       0.9404358 9.836784       1.283867  12.55031       1.381441  -4.057684      2.844638  
1 1 1 20  19 30 o 34.43851 1.997557  12.01564       1.375858  12.01564       1.375858  ?              ?         ?              ?         
1 1 1 20  19 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  19 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  19 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  20 0  o 51.92455 1.145988  27.05544       1.189738  27.31204       1.667003  26.78904       1.698527  0.5068054      2.291976  
1 1 1 20  20 1  o 69.48538 1.289196  48.46350       1.790722  47.76365       2.486845  49.21717       2.580688  -1.034973      2.578393  
1 1 1 20  20 2  o 41.45054 1.133025  17.17758       0.9367163 19.07591       1.366822  15.49638       1.286278  4.309311       2.266049  
1 1 1 20  20 3  o 35.03780 1.146305  12.24644       0.7995126 11.60032       1.070007  13.06318       1.203006  -2.072720      2.292611  
1 1 1 20  20 4  f 41.31176 1.151132  17.11427       0.9497889 16.82747       1.304695  17.43762       1.385338  -0.7291031     2.302264  
1 1 1 20  20 5  o 49.03007 1.422018  24.56034       1.304050  25.30013       1.598140  23.08635       2.255831  2.352222       2.844036  
1 1 1 20  20 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  20 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  20 8  o 64.20326 2.750651  0.000000       0.000000  ?              ?         41.70243       3.532016  ?              ?         
1 1 1 20  20 9  o 63.79227 1.274859  40.85098       1.624897  39.72654       2.238095  42.10431       2.362881  -1.845638      2.549718  
1 1 1 20  20 10 o 11.37038 2.333594  1.358744       0.5684705 1.581968       0.7543164 1.065308       0.8648487 1.746687       4.667188  
1 1 1 20  20 11 o 56.47515 1.213491  32.01533       1.369529  33.85518       1.973774  30.30713       1.901840  3.130577       2.426983  
1 1 1 20  20 12 o 39.97300 1.183421  16.07456       0.9449703 16.46214       1.314981  15.66067       1.358879  1.009117       2.366842  
1 1 1 20  20 13 o 52.97894 1.203858  28.14809       1.272322  27.27787       1.728158  29.17806       1.880101  -1.769150      2.407717  
1 1 1 20  20 14 o 44.97586 1.194658  20.30368       1.072381  19.82515       1.463065  20.85925       1.576423  -1.131279      2.389317  
1 1 1 20  20 15 o 31.16117 1.303877  9.831835       0.8068756 10.40117       1.099063  9.166233       1.188349  1.997433       2.607754  
1 1 1 20  20 16 o 28.05032 1.370438  7.923069       0.7639878 7.885693       1.023590  7.970080       1.147957  -0.1261463     2.740876  
1 1 1 20  20 17 o 54.60116 1.223429  29.98144       1.334617  29.66410       1.841533  30.33253       1.936947  -0.5950356     2.446857  
1 1 1 20  20 18 o 43.20301 1.211247  18.69344       1.043604  17.67085       1.412111  19.92414       1.549149  -2.583031      2.422495  
1 1 1 20  20 19 o 39.34676 1.215297  15.60231       0.9546926 15.92050       1.320074  15.25339       1.382357  0.8598404      2.430593  
1 1 1 20  20 20 o 22.65575 1.613853  5.171010       0.7249018 5.003045       0.9572192 5.396871       1.109995  -0.8267040     3.227707  
1 1 1 20  20 21 o 16.56436 2.133584  2.868050       0.6838845 2.969715       0.9137673 2.738587       1.031155  1.033844       4.267167  
1 1 1 20  20 22 o 31.74013 1.351403  10.06447       0.8509436 9.414173       1.121077  10.94840       1.307047  -2.372303      2.702806  
1 1 1 20  20 23 o 50.70108 1.247494  25.89331       1.263269  25.53321       1.736656  26.29797       1.840969  -0.7302589     2.494989  
1 1 1 20  20 24 o 22.89994 1.706649  5.230807       0.7733794 4.340984       1.023243  6.416380       1.181113  -4.478889      3.413298  
1 1 1 20  20 25 o 62.24707 1.311945  39.12563       1.632919  39.15274       2.285472  39.09736       2.333882  0.5721283E-01  2.623889  
1 1 1 20  20 26 o 17.28730 2.171322  3.090410       0.7325786 2.760801       0.9832361 3.501709       1.098339  -2.349998      4.342644  
1 1 1 20  20 27 o 33.92270 1.407621  11.66350       0.9526181 11.86205       1.308599  11.43966       1.389444  0.6476974      2.815242  
1 1 1 20  20 28 o 26.44825 1.855217  7.071750       0.9571800 7.497718       1.552016  6.810272       1.215973  1.158890       3.710433  
1 1 1 20  20 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  20 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  20 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  21 0  o 26.21791 1.283701  6.953943       0.6682501 7.726510       0.9310588 6.133135       0.9596883 3.042513       2.567401  
1 1 1 20  21 1  o 41.53671 1.136493  17.34068       0.9429200 17.98182       1.318003  16.66849       1.349536  1.584679       2.272986  
1 1 1 20  21 2  o 47.68881 1.155888  22.80534       1.101486  24.19424       1.585871  21.51081       1.531048  2.806801       2.311777  
1 1 1 20  21 3  o 15.81496 1.968861  2.713574       0.5839267 3.649698       0.8041872 1.669604       0.8492482 6.450147       3.937722  
1 1 1 20  21 4  o 23.73581 1.426167  5.691935       0.6694634 6.777197       0.9587796 4.659421       0.9351895 4.457493       2.852335  
1 1 1 20  21 5  o 54.40163 1.206840  29.55554       1.308427  27.69225       1.761947  31.84637       1.953658  -3.791912      2.413681  
1 1 1 20  21 6  o 10.54230 2.369687  1.112306       0.5654359 1.272262       0.7829743 0.9379614      0.8174328 1.118554       4.739375  
1 1 1 20  21 7  o 13.13366 2.235594  1.853680       0.5840057 2.173263       0.7881351 1.464533       0.8696922 2.540668       4.471187  
1 1 1 20  21 8  o 37.41234 1.640053  14.06259       1.227165  14.06259       1.227165  ?              ?         ?              ?         
1 1 1 20  21 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  21 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  21 11 o 37.03073 1.858080  0.000000       0.000000  ?              ?         13.80319       1.376121  ?              ?         
1 1 1 20  21 12 f 31.21779 1.306790  9.704676       0.8083173 9.089602       1.060401  10.55778       1.248843  -2.317879      2.613579  
1 1 1 20  21 13 f 24.20414 1.463520  5.950881       0.7014269 6.278683       0.9447935 5.548325       1.046995  1.529573       2.927041  
1 1 1 20  21 14 o 48.80225 1.218730  23.96986       1.187740  24.11332       1.638140  23.81085       1.724630  0.3251762      2.437460  
1 1 1 20  21 15 o 38.88390 1.251472  15.21897       0.9709709 15.23583       1.329066  15.19967       1.421956  0.6351471E-01  2.502944  
1 1 1 20  21 16 o 73.31576 1.389062  54.02394       2.033431  57.43116       2.980586  51.05739       2.781171  4.304733       2.778124  
1 1 1 20  21 17 o 39.07434 1.248883  15.33373       0.9738689 14.74479       1.325517  16.02453       1.435575  -1.615147      2.497767  
1 1 1 20  21 18 o 36.87395 1.252928  13.74389       0.9206514 14.93152       1.293257  12.52361       1.310918  3.268871       2.505857  
1 1 1 20  21 19 o 22.94725 1.707652  5.226900       0.7654501 3.844981       1.011245  7.080989       1.171333  -7.003534      3.415303  
1 1 1 20  21 20 o 28.81406 1.431420  8.347003       0.8202609 8.026122       1.094803  8.757637       1.238488  -1.232935      2.862840  
1 1 1 20  21 21 f 24.87156 1.659771  6.025655       0.7959035 4.130868       1.028304  8.856853       1.256974  -9.432684      3.319543  
1 1 1 20  21 22 o 30.82668 1.426131  9.640167       0.8763083 10.21140       1.216703  9.024458       1.263178  1.938038       2.852263  
1 1 1 20  21 23 o 23.09482 1.704802  5.315843       0.7771592 4.277970       1.028346  6.698033       1.186728  -5.185770      3.409604  
1 1 1 20  21 24 o 24.44186 1.643180  6.063748       0.8002230 5.986709       1.082701  6.156499       1.187985  -0.3104897     3.286359  
1 1 1 20  21 25 o 30.36802 1.719140  9.625628       1.015798  8.043995       1.541193  10.84043       1.350693  -4.675686      3.438280  
1 1 1 20  21 26 o 25.16613 2.520538  0.000000       0.000000  ?              ?         6.460103       1.268644  ?              ?         
1 1 1 20  21 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  21 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  21 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  21 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  22 0  o 67.48599 1.298789  45.75516       1.752270  47.18787       2.522026  44.41813       2.436361  2.039337       2.597578  
1 1 1 20  22 1  o 35.98479 1.191682  12.91744       0.8545669 11.84499       1.152123  14.22910       1.274149  -3.295712      2.383363  
1 1 1 20  22 2  f 23.74732 1.412918  5.682922       0.6675990 5.735610       0.9019521 5.619082       0.9928328 0.2605934      2.825836  
1 1 1 20  22 3  o 38.93212 1.172099  15.18333       0.9098964 16.94199       1.323316  13.60629       1.253126  4.274017       2.344199  
1 1 1 20  22 4  o 25.08788 1.398793  6.320733       0.7006238 6.068729       0.9568751 6.611978       1.028680  -1.070175      2.797586  
1 1 1 20  22 5  o 35.57143 1.240561  12.67973       0.8810020 11.94940       1.203686  13.52240       1.292948  -2.196865      2.481123  
1 1 1 20  22 6  o 24.52358 1.445926  6.145718       0.6984251 6.749908       0.9418675 5.407650       1.041000  2.755270       2.891852  
1 1 1 20  22 7  o 18.57200 1.795405  3.569129       0.6503308 3.977739       0.8640758 3.035253       0.9876816 2.566610       3.590810  
1 1 1 20  22 8  o 11.89305 2.367667  1.452912       0.6478426 2.287686       0.8884045 0.5048863      0.9467523 5.647477       4.735334  
1 1 1 20  22 9  o 38.57766 1.227914  14.97871       0.9452048 16.29207       1.346284  13.70201       1.327360  3.353771       2.455828  
1 1 1 20  22 10 o 44.42635 1.551155  20.37926       1.276104  21.20261       1.555389  18.68378       2.231998  2.978245       3.102311  
1 1 1 20  22 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  22 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  22 13 o 72.25537 1.993701  0.000000       0.000000  ?              ?         52.64711       2.881112  ?              ?         
1 1 1 20  22 14 o 37.99884 1.272408  14.53407       0.9665077 14.25392       1.341206  14.83672       1.394020  -0.7562141     2.544816  
1 1 1 20  22 15 o 11.14801 2.558960  1.251227       0.6584768 1.439273       0.8884459 1.022031       0.9808494 1.194269       5.117920  
1 1 1 20  22 16 f 58.67475 1.296373  34.70745       1.521096  35.47551       2.166925  33.96135       2.135723  1.283203       2.592746  
1 1 1 20  22 17 o 38.32609 1.309062  14.89166       0.9980479 16.15391       1.385828  13.53155       1.438553  3.433228       2.618124  
1 1 1 20  22 18 o 17.66766 2.100332  3.197592       0.7239659 2.932404       0.9585381 3.549766       1.104616  -1.936501      4.200665  
1 1 1 20  22 19 f 11.31199 2.392007  0.9664022      0.6666063 -0.1621978E-01 0.8582202 2.460840       1.058387  -7.672067      4.784014  
1 1 1 20  22 20 o 20.89346 1.887385  4.490717       0.7802390 5.134371       1.090205  3.814869       1.117137  3.167521       3.774770  
1 1 1 20  22 21 f 10.22780 2.792752  0.7119045      0.8002040 1.042246       1.255940  0.4861703      1.038212  1.915584       5.585504  
1 1 1 20  22 22 f 17.07920 2.738640  3.126119       0.8938685 3.299250       1.453736  3.020871       1.133455  0.5878201      5.477280  
1 1 1 20  22 23 o 19.12404 3.072580  0.000000       0.000000  ?              ?         3.766291       1.175203  ?              ?         
1 1 1 20  22 24 o 8.641443 4.012807  0.000000       0.000000  ?              ?         -1.291003      1.667016  ?              ?         
1 1 1 20  22 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  22 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  22 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  22 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  23 0  o 16.14842 1.964405  2.670959       0.6168939 2.568890       0.8207498 2.803498       0.9352638 -0.4357548     3.928810  
1 1 1 20  23 1  o 74.05228 1.382784  55.19854       2.046653  54.39809       2.835940  56.06858       2.956641  -1.105812      2.765567  
1 1 1 20  23 2  f 63.60381 1.279464  40.69067       1.626326  40.33597       2.251942  41.07735       2.351214  -0.5657692     2.558928  
1 1 1 20  23 3  o 32.20813 1.285673  10.44432       0.8277518 10.76448       1.165973  10.11901       1.175319  1.003662       2.571347  
1 1 1 20  23 4  o 38.52726 1.216599  14.90827       0.9358776 14.60441       1.281608  15.25540       1.369857  -0.8302269     2.433198  
1 1 1 20  23 5  o 62.65820 1.291891  39.24858       1.613237  42.91340       2.406500  36.25745       2.174086  5.270039       2.583781  
1 1 1 20  23 6  f 41.54491 1.241335  17.39931       1.029375  18.26400       1.437443  16.48910       1.474789  2.142632       2.482670  
1 1 1 20  23 7  o 71.81480 1.371266  51.69142       1.963786  55.72869       2.916186  48.34147       2.656384  5.091866       2.742531  
1 1 1 20  23 8  f 45.26044 1.218976  20.55642       1.099823  19.97654       1.487716  21.25527       1.633216  -1.386726      2.437953  
1 1 1 20  23 9  o 48.96360 1.239091  24.10234       1.212261  25.62769       1.742605  22.67191       1.687513  3.008320       2.478182  
1 1 1 20  23 10 o 48.22672 1.255974  23.43163       1.210319  24.51422       1.708352  22.34064       1.714967  2.254753       2.511949  
1 1 1 20  23 11 o 53.27760 1.271716  28.59820       1.353462  28.72474       1.871336  28.45940       1.959903  0.2669487      2.543431  
1 1 1 20  23 12 f 18.80445 2.104256  3.548709       0.7308237 2.006675       0.9494334 5.790908       1.144866  -10.19377      4.208513  
1 1 1 20  23 13 o 19.46354 4.291866  4.103310       1.625796  4.103310       1.625796  ?              ?         ?              ?         
1 1 1 20  23 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  23 15 o 19.93329 4.982963  0.000000       0.000000  ?              ?         4.377411       1.983182  ?              ?         
1 1 1 20  23 16 o 21.82442 2.041809  4.734856       0.8765819 5.602339       1.403616  4.180185       1.122368  3.154018       4.083617  
1 1 1 20  23 17 o 16.32829 2.576824  3.010628       0.8544058 1.597649       1.304685  4.071620       1.130560  -7.273189      5.153647  
1 1 1 20  23 18 o 15.30985 3.185558  2.567220       1.040105  2.841531       1.325974  2.128487       1.676926  1.727377       6.371116  
1 1 1 20  23 19 o 13.85506 4.958698  0.000000       0.000000  ?              ?         1.828628       1.746393  ?              ?         
1 1 1 20  23 20 o 24.64678 3.848599  0.000000       0.000000  ?              ?         6.350236       1.897111  ?              ?         
1 1 1 20  23 21 o 34.85028 3.314779  0.000000       0.000000  ?              ?         12.56551       2.310419  ?              ?         
1 1 1 20  23 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  23 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  23 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  23 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  23 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 0  o 26.37878 1.401768  7.014045       0.7384394 7.039412       1.018030  6.985877       1.072738  0.1122227      2.803536  
1 1 1 20  24 1  o 39.82071 1.194532  15.93647       0.9500504 15.73445       1.306329  16.16330       1.384199  -0.5252151     2.389064  
1 1 1 20  24 2  o 24.41414 1.503410  6.023086       0.7330218 6.353100       1.032155  5.687260       1.041203  1.365604       3.006821  
1 1 1 20  24 3  o 34.56403 1.271546  11.98353       0.8773058 11.07486       1.202610  13.01717       1.282649  -2.794880      2.543091  
1 1 1 20  24 4  o 13.92683 2.149550  1.913788       0.6391917 0.6450894      0.8517194 3.549675       0.9671502 -9.569591      4.299099  
1 1 1 20  24 5  o 78.25965 1.440962  61.72127       2.253304  60.54552       3.109183  63.02198       3.270221  -1.547913      2.881923  
1 1 1 20  24 6  o 62.74574 1.310526  39.42198       1.639640  43.31914       2.429814  36.16372       2.221734  5.660496       2.621052  
1 1 1 20  24 7  o 70.41846 1.380759  49.99736       1.944240  51.39362       2.773079  48.64747       2.726650  1.939720       2.761518  
1 1 1 20  24 8  o 71.40166 1.383337  51.35168       1.973694  53.68214       2.864781  49.24609       2.723059  3.073845       2.766674  
1 1 1 20  24 9  f 34.64586 1.321770  12.12918       0.9139942 12.83579       1.281095  11.39664       1.304386  2.082256       2.643539  
1 1 1 20  24 10 o 63.51736 1.325492  40.66127       1.682930  42.53837       2.417449  38.89607       2.344282  2.850128       2.650985  
1 1 1 20  24 11 o 21.48275 1.756012  4.748045       0.7441202 5.319615       1.017482  4.090826       1.091056  2.882452       3.512024  
1 1 1 20  24 12 o 6.476211 2.128660  -0.8078131     0.6617599 -0.8624070     0.8881084 -0.7396620     0.9922705 -0.6535521     4.257320  
1 1 1 20  24 13 o 54.47688 1.533703  30.34128       1.621449  28.68936       2.590841  31.40488       2.078908  -2.632553      3.067405  
1 1 1 20  24 14 o 17.31857 2.545672  3.311604       0.8623211 2.161894       1.285985  4.250914       1.162375  -6.160540      5.091344  
1 1 1 20  24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  24 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 0  f 60.31628 1.290048  36.63951       1.556073  37.34532       2.209825  35.94535       2.191529  1.156925       2.580096  
1 1 1 20  25 1  o 35.95481 1.278407  13.03945       0.9171352 14.08358       1.298366  11.99961       1.295688  2.897503       2.556814  
1 1 1 20  25 2  o 41.54353 1.250561  17.39510       1.038066  17.76633       1.446891  17.00133       1.490159  0.9294395      2.501121  
1 1 1 20  25 3  o 43.92049 1.247753  19.40356       1.093425  19.04612       1.489797  19.82094       1.609843  -0.8571396     2.495506  
1 1 1 20  25 4  o 34.90565 1.303437  12.19819       0.9061627 11.36812       1.215574  13.23643       1.359484  -2.644070      2.606874  
1 1 1 20  25 5  o 38.03490 1.303052  14.37171       0.9834700 12.83749       1.296536  16.45064       1.509245  -4.701328      2.606105  
1 1 1 20  25 6  o 62.20724 1.332854  39.03994       1.657553  39.04722       2.310830  39.03224       2.378922  0.2801132E-01  2.665708  
1 1 1 20  25 7  o 44.78979 1.308495  20.22537       1.167867  22.61061       1.678101  17.98500       1.626341  5.151791       2.616990  
1 1 1 20  25 8  o 28.39541 1.503679  8.142615       0.8477862 8.059234       1.130457  8.249787       1.281622  -0.2953949     3.007358  
1 1 1 20  25 9  o 43.87814 1.551881  18.92007       1.308790  21.51794       2.234241  17.56291       1.614864  4.334862       3.103762  
1 1 1 20  25 10 o 41.57550 1.959078  0.000000       0.000000  ?              ?         17.45780       1.628993  ?              ?         
1 1 1 20  25 11 o 18.09945 4.085298  0.000000       0.000000  ?              ?         3.548591       1.443839  ?              ?         
1 1 1 20  25 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  25 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 0  o 31.23084 1.411710  9.798362       0.8788243 8.775064       1.198681  10.98771       1.292280  -3.519152      2.823421  
1 1 1 20  26 1  o 44.06153 1.275485  19.34646       1.116659  17.64243       1.479560  21.60167       1.702113  -4.442760      2.550970  
1 1 1 20  26 2  o 10.97132 2.861141  1.026907       0.7985011 0.8876392      1.400137  1.094037       0.9720810 0.4601851      5.722283  
1 1 1 20  26 3  o 51.41785 1.836854  0.000000       0.000000  ?              ?         26.66143       1.888941  ?              ?         
1 1 1 20  26 4  o 44.40760 1.828221  0.000000       0.000000  ?              ?         19.88704       1.623738  ?              ?         
1 1 1 20  26 5  o 15.50910 3.448316  0.000000       0.000000  ?              ?         2.571686       1.041574  ?              ?         
1 1 1 20  26 6  o 21.20516 3.296062  0.000000       0.000000  ?              ?         4.625577       1.397870  ?              ?         
1 1 1 20  26 7  o 35.42556 2.731101  0.000000       0.000000  ?              ?         12.80446       1.935015  ?              ?         
1 1 1 20  26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  26 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  27 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  28 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  29 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  30 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  30 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  30 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  30 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 20  30 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  0  0  o 32.84728 0.8173623 10.83594       0.5352555 11.06113       0.7510647 10.60353       0.7630077 -0.000000      0.000000  
1 1 1 21  0  1  o 104.8113 1.621738  110.0361       3.394828  108.4776       4.729940  111.6919       4.875388  -0.000000      0.000000  
1 1 1 21  0  2  o 20.91771 0.8867109 4.383288       0.3650788 3.677822       0.4930932 5.239174       0.5431240 -0.000000      0.000000  
1 1 1 21  0  3  f 54.60174 0.9783106 29.87074       1.066556  29.56300       1.488667  30.19530       1.528811  -0.000000      0.000000  
1 1 1 21  0  4  o 59.35596 1.036855  35.29699       1.228950  34.86313       1.717005  35.75272       1.759779  -0.000000      0.000000  
1 1 1 21  0  5  o 68.57844 1.141423  47.11951       1.563393  46.71173       2.189179  47.54393       2.233428  -0.000000      0.000000  
1 1 1 21  0  6  o 14.79149 1.063391  2.251098       0.3083481 2.126278       0.4253072 2.389403       0.4476936 -0.000000      0.000000  
1 1 1 21  0  7  o 76.46101 1.239853  58.57825       1.893587  58.08745       2.654618  59.08667       2.701880  -0.000000      0.000000  
1 1 1 21  0  8  o 62.28979 1.067724  38.86259       1.327957  38.06348       1.848046  39.71571       1.909491  -0.000000      0.000000  
1 1 1 21  0  9  o 100.1313 1.558873  100.4980       3.118156  99.70472       4.372595  101.3188       4.447845  -0.000000      0.000000  
1 1 1 21  0  10 o 51.23998 0.9494959 26.30240       0.9711475 25.73546       1.349481  26.91141       1.398659  -0.000000      0.000000  
1 1 1 21  0  11 f 162.9462 2.445529  266.6185       7.961572  265.4353       11.20869  267.8233       11.31073  -0.000000      0.000000  
1 1 1 21  0  12 o 74.03359 1.213552  54.93691       1.794690  55.14947       2.547863  54.72758       2.528399  -0.000000      0.000000  
1 1 1 21  0  13 o 65.56491 1.112003  43.07787       1.456019  42.41135       2.034589  43.77753       2.084563  -0.000000      0.000000  
1 1 1 21  0  14 o 40.71661 0.8648372 16.59760       0.7021540 15.77974       0.9682849 17.50461       1.019701  -0.000000      0.000000  
1 1 1 21  0  15 o 101.2278 1.576840  102.7835       3.188929  102.9369       4.520333  102.6316       4.499394  -0.000000      0.000000  
1 1 1 21  0  16 f 115.7560 1.779707  134.4630       4.115664  133.5674       5.782934  135.3823       5.858661  -0.000000      0.000000  
1 1 1 21  0  17 f 92.64307 1.464315  86.08932       2.710146  85.78082       3.826425  86.39987       3.839056  -0.000000      0.000000  
1 1 1 21  0  18 f 187.6053 3.978380  354.5587       14.91236  354.5587       14.91236  354.5587       14.91236  -0.000000      0.000000  
1 1 1 21  0  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  0  20 o 118.0088 2.561124  139.8640       6.038367  139.8640       6.038367  139.8640       6.038367  -0.000000      0.000000  
1 1 1 21  0  21 o 49.93958 0.9515507 25.00917       0.9487056 24.37848       1.330144  25.66220       1.353506  -0.000000      0.000000  
1 1 1 21  0  22 f 12.61101 1.306466  1.682905       0.3122526 1.650213       0.4650399 1.709745       0.4213670 -0.000000      0.000000  
1 1 1 21  0  23 o 26.90213 0.8632784 7.245657       0.4609007 7.816008       0.6867406 6.778192       0.6217227 -0.000000      0.000000  
1 1 1 21  0  24 o 22.27974 0.9100406 4.987687       0.4008698 5.329676       0.6025873 4.716184       0.5369108 -0.000000      0.000000  
1 1 1 21  0  25 o 42.98459 0.9091151 18.50582       0.7791274 17.45075       1.074546  19.67539       1.131352  -0.000000      0.000000  
1 1 1 21  0  26 o 22.70901 0.9096600 5.216586       0.4093685 4.782039       0.5753135 5.662247       0.5826249 -0.000000      0.000000  
1 1 1 21  0  27 o 4.383838 1.857804  0.1621642      0.2927379 0.3701857      0.4386240 -0.4914165E-02 0.3930957 -0.000000      0.000000  
1 1 1 21  0  28 o 17.57515 1.127186  3.245876       0.3776553 2.452128       0.5430252 3.989423       0.5255729 -0.000000      0.000000  
1 1 1 21  0  29 o 10.79283 1.695395  1.326612       0.3179641 1.327376       0.4755930 1.325995       0.4275692 -0.000000      0.000000  
1 1 1 21  0  30 o 48.23878 0.9591128 23.36176       0.9232568 23.47090       1.328058  23.25967       1.284401  -0.000000      0.000000  
1 1 1 21  0  31 o 28.34125 0.9062663 8.105140       0.5100526 7.413369       0.7191727 8.805248       0.7234932 -0.000000      0.000000  
1 1 1 21  0  32 o 57.59458 1.065768  33.25061       1.224562  31.64040       1.688630  35.03667       1.778444  -0.000000      0.000000  
1 1 1 21  0  33 o 5.932885 2.140898  0.4838703      0.3239219 0.7268312      0.4999507 0.3080889      0.4252512 -0.000000      0.000000  
1 1 1 21  0  34 o 7.353184 2.064442  0.7874544      0.3370134 0.3870473      0.5272986 1.063970       0.4381935 -0.000000      0.000000  
1 1 1 21  0  35 o 29.31283 0.9506941 8.634832       0.5524554 8.984441       0.8266876 8.352703       0.7426338 -0.000000      0.000000  
1 1 1 21  0  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  0  37 o 17.04738 1.310264  2.940831       0.4284174 3.411657       0.6964759 2.654246       0.5433788 -0.000000      0.000000  
1 1 1 21  0  38 o 16.80898 1.292741  2.899381       0.4197737 3.162949       0.6604260 2.720719       0.5437415 -0.000000      0.000000  
1 1 1 21  0  39 o 46.97754 1.002923  22.21963       0.9393451 21.62204       1.348856  22.78235       1.308914  -0.000000      0.000000  
1 1 1 21  0  40 o 14.97238 1.614294  2.505965       0.4152967 2.040185       0.6594815 2.812063       0.5346166 -0.000000      0.000000  
1 1 1 21  0  41 o 30.75682 1.000262  9.522220       0.6068081 9.774559       0.9284464 9.334055       0.8017411 -0.000000      0.000000  
1 1 1 21  0  42 o 14.97388 1.582496  2.405479       0.4302728 2.347231       0.6911309 2.442344       0.5498205 -0.000000      0.000000  
1 1 1 21  1  0  f 127.6399 1.368097  162.4228       3.481291  155.6153       4.702803  170.6756       5.178011  -5.889069      2.736193  
1 1 1 21  1  1  o 129.2209 1.383881  167.0750       3.575529  169.3323       5.129567  164.9418       4.986588  1.695541       2.767762  
1 1 1 21  1  2  o 91.21719 1.014011  83.22760       1.849576  84.26440       2.646099  82.23711       2.586317  1.110191       2.028022  
1 1 1 21  1  3  o 78.81379 0.8977898 61.68018       1.407504  66.46391       2.129076  57.96653       1.875898  5.386551       1.795580  
1 1 1 21  1  4  o 107.7396 1.171896  116.1482       2.524808  117.3535       3.608728  114.9925       3.533689  1.093895       2.343792  
1 1 1 21  1  5  o 50.12338 0.6618417 24.92941       0.6602178 27.15374       0.9958846 23.18528       0.8818576 3.957043       1.323683  
1 1 1 21  1  6  o 97.24397 1.071653  94.61284       2.083872  95.74771       2.980954  93.52818       2.914257  1.139572       2.143306  
1 1 1 21  1  7  o 62.30386 0.7515921 38.83287       0.9365398 38.87783       1.326110  38.78814       1.322831  0.7192230E-01  1.503184  
1 1 1 21  1  8  o 141.0635 1.503345  199.3054       4.240881  201.0460       6.051311  197.6254       5.945122  1.208130       3.006689  
1 1 1 21  1  9  o 46.47100 0.6380519 21.45803       0.5908042 19.94550       0.7947315 23.32656       0.8833188 -3.636135      1.276104  
1 1 1 21  1  10 o 183.1103 1.931043  336.1632       7.066928  329.5251       9.777845  343.4230       10.22547  -3.766998      3.862086  
1 1 1 21  1  11 o 25.45418 0.5955855 6.478141       0.3027276 6.990320       0.4337250 5.991601       0.4227297 1.961580       1.191171  
1 1 1 21  1  12 o 143.6656 1.531315  206.5496       4.394027  200.7995       6.029374  213.0626       6.416899  -4.246796      3.062630  
1 1 1 21  1  13 o 40.17022 0.6075428 16.13439       0.4879662 16.61714       0.6992939 15.67625       0.6812369 1.170689       1.215086  
1 1 1 21  1  14 o 54.87581 0.6991999 29.99084       0.7650851 28.38986       1.034226  31.92602       1.137057  -3.218781      1.398400  
1 1 1 21  1  15 o 78.27192 0.8970163 61.30917       1.403900  60.45949       1.960024  62.20436       2.011818  -1.112488      1.794033  
1 1 1 21  1  16 f 68.79526 1.001681  47.20565       1.289691  47.92305       2.274934  46.86589       1.565583  0.7344589      2.003362  
1 1 1 21  1  17 o 98.17218 1.539108  96.65781       3.020525  98.40087       4.352569  95.03857       4.195116  1.699890       3.078216  
1 1 1 21  1  18 o 10.30313 1.367343  1.034104       0.2516418 0.9645784      0.2962000 1.214460       0.4770639 -0.9807892     2.734686  
1 1 1 21  1  19 o 173.0172 1.834151  300.9297       6.346066  303.5782       9.057408  298.3757       8.894201  1.486435       3.668303  
1 1 1 21  1  20 o 35.04687 0.7287978 12.51844       0.4863946 13.08030       0.6094707 11.53290       0.8071908 2.216591       1.457596  
1 1 1 21  1  21 o 26.66071 0.8270771 7.126799       0.4399629 7.717647       0.6237374 6.541734       0.6206769 2.205153       1.654154  
1 1 1 21  1  22 o 44.66744 0.7714358 20.17878       0.6588466 19.26758       1.094848  20.69608       0.8249301 -1.613560      1.542872  
1 1 1 21  1  23 o 28.54628 0.6041420 8.128761       0.3441370 8.939007       0.5015729 7.408063       0.4730455 2.680145       1.208284  
1 1 1 21  1  24 o 79.16817 0.9121873 62.79302       1.444183  63.39619       2.059972  62.21001       2.025237  0.7464600      1.824375  
1 1 1 21  1  25 o 31.53593 0.6039960 9.953712       0.3809262 10.11341       0.5415860 9.797356       0.5358812 0.5007896      1.207992  
1 1 1 21  1  26 o 9.607643 1.149832  0.9418308      0.2154437 0.8425539      0.3017960 1.045000       0.3076552 -1.195874      2.299664  
1 1 1 21  1  27 o 18.23393 0.7225259 3.339940       0.2607975 3.963791       0.3742961 2.751285       0.3635839 3.324039       1.445052  
1 1 1 21  1  28 o 23.01112 0.6489863 5.280153       0.2975898 4.682847       0.4078262 5.960394       0.4352192 -2.773882      1.297973  
1 1 1 21  1  29 o 18.70217 0.7196262 3.505727       0.2689300 3.685482       0.3810136 3.327268       0.3796391 0.9575558      1.439252  
1 1 1 21  1  30 f 45.01831 0.6621235 20.27056       0.5956453 19.60147       0.8218572 21.01087       0.8644989 -1.561592      1.324247  
1 1 1 21  1  31 o 20.95165 0.6963738 4.392999       0.2912194 4.795370       0.4192243 4.017758       0.4048449 1.854355       1.392748  
1 1 1 21  1  32 o 30.65038 0.6334752 9.390588       0.3877597 10.13191       0.5614987 8.714741       0.5361306 2.309484       1.266950  
1 1 1 21  1  33 o 6.838735 1.411939  0.4347867      0.2294161 0.1077066      0.3198399 0.7813997      0.3292516 -3.591594      2.823878  
1 1 1 21  1  34 o 18.20774 1.026626  3.238515       0.3435903 3.569247       0.6381655 3.103507       0.4077317 1.238979       2.053252  
1 1 1 21  1  35 o 45.27832 0.8773779 20.45774       0.7753909 20.03491       0.9888566 21.13276       1.249425  -1.172180      1.754756  
1 1 1 21  1  36 o 37.11915 0.6720847 13.80583       0.4988584 13.48431       0.6986384 14.14028       0.7125520 -0.8818932     1.344169  
1 1 1 21  1  37 o 42.63194 0.9614327 18.27060       0.8176236 18.29521       1.117237  18.24222       1.199757  0.7780838E-01  1.922865  
1 1 1 21  1  38 o 30.97183 0.6877214 9.624389       0.4257750 9.346753       0.6054989 9.895942       0.5988300 -0.8875504     1.375443  
1 1 1 21  1  39 o 33.50243 0.6810541 11.22885       0.4556480 10.42594       0.6283580 12.11922       0.6617013 -2.522091      1.362108  
1 1 1 21  1  40 o 10.66014 1.343197  1.176757       0.2777839 1.378407       0.3939566 0.9773651      0.3917443 2.053064       2.686394  
1 1 1 21  1  41 o 24.93829 0.7374375 6.235758       0.3671230 6.788380       0.5286168 5.720868       0.5102509 2.136900       1.474875  
1 1 1 21  1  42 o 15.87707 0.9906691 2.537613       0.3120083 2.125341       0.4320936 2.986765       0.4510066 -2.708236      1.981338  
1 1 1 21  2  0  o 62.83850 0.7601872 39.49248       0.9552340 39.23803       1.337482  39.75740       1.364740  -0.4129219     1.520374  
1 1 1 21  2  1  o 91.25272 1.012787  83.22157       1.846849  81.24158       2.549753  85.40689       2.678695  -2.280106      2.025574  
1 1 1 21  2  2  o 68.94445 0.8099814 47.12688       1.110051  51.29336       1.687183  43.94671       1.474020  5.324875       1.619963  
1 1 1 21  2  3  o 102.3739 1.119526  104.8745       2.292186  105.1417       3.249380  104.6097       3.233954  0.2594986      2.239051  
1 1 1 21  2  4  o 90.68850 1.008022  81.99607       1.823247  78.54220       2.469839  86.13225       2.702801  -4.179779      2.016044  
1 1 1 21  2  5  f 70.95526 0.8269007 50.35799       1.173293  49.79403       1.642553  50.94553       1.676542  -0.8107910     1.653801  
1 1 1 21  2  6  o 72.61623 0.8447176 52.34369       1.219873  49.10923       1.623832  56.53363       1.848183  -5.107643      1.689435  
1 1 1 21  2  7  o 97.01077 1.069537  94.03059       2.072507  97.17611       3.024342  91.24564       2.845739  3.051796       2.139073  
1 1 1 21  2  8  o 22.77658 0.5929776 5.153716       0.2690507 4.585696       0.3649631 5.829889       0.3981953 -2.730755      1.185955  
1 1 1 21  2  9  o 16.53011 0.6887021 2.726693       0.2273583 2.540039       0.3133542 2.934190       0.3303879 -1.191861      1.377404  
1 1 1 21  2  10 f 86.73231 0.9720378 75.16929       1.684150  77.69291       2.455187  72.92654       2.314528  2.743271       1.944076  
1 1 1 21  2  11 f 84.46690 0.9514066 70.84978       1.597717  66.59779       2.124312  76.38757       2.424321  -5.785339      1.902813  
1 1 1 21  2  12 o 87.22681 0.9768470 76.15148       1.703986  75.58218       2.390328  76.73972       2.429755  -0.6621323     1.953694  
1 1 1 21  2  13 o 80.29569 0.9146008 64.53568       1.468725  64.35733       2.067888  64.71722       2.086419  -0.2234039     1.829202  
1 1 1 21  2  14 o 24.91726 0.7400036 5.973935       0.3427081 6.855878       0.6291699 5.601877       0.4086514 2.509087       1.480007  
1 1 1 21  2  15 f 99.84399 1.564648  99.97268       3.123658  98.51920       4.359592  101.5061       4.477818  -1.487221      3.129295  
1 1 1 21  2  16 o 59.40462 0.9122108 34.58454       0.9957065 33.50068       1.183636  37.20825       1.841574  -3.091610      1.824422  
1 1 1 21  2  17 o 78.01642 0.8963760 60.86806       1.397456  59.33071       1.928786  62.56682       2.027511  -2.069359      1.792752  
1 1 1 21  2  18 o 183.7360 1.943692  339.5436       7.142336  340.9901       10.14522  338.1222       10.05694  0.7710876      3.887384  
1 1 1 21  2  19 o 17.09670 0.7244936 2.949071       0.2451644 3.407553       0.3447675 2.480082       0.3486954 2.712590       1.448987  
1 1 1 21  2  20 o 83.83569 0.9520143 70.40052       1.596250  70.58153       2.261055  70.22067       2.253838  0.2147751      1.904029  
1 1 1 21  2  21 f 45.38929 0.6941646 20.58578       0.6223201 20.39750       0.8163580 20.84697       0.9615445 -0.4880600     1.388329  
1 1 1 21  2  22 o 14.78081 1.047989  2.222077       0.3041774 2.662896       0.4257235 1.762341       0.4347626 3.047031       2.095978  
1 1 1 21  2  23 o 50.69576 0.9471810 25.71346       0.9596221 26.92203       1.389072  24.61006       1.327258  2.275528       1.894362  
1 1 1 21  2  24 o 25.32655 0.6180337 6.419981       0.3129491 6.197843       0.4403444 6.646681       0.4448436 -0.8858624     1.236067  
1 1 1 21  2  25 o 54.26077 0.7133898 29.44856       0.7736967 28.51134       1.071348  30.47013       1.118520  -1.801785      1.426780  
1 1 1 21  2  26 o 49.65628 0.6784483 24.58744       0.6722263 23.17842       0.9135711 26.25109       0.9926931 -3.088364      1.356897  
1 1 1 21  2  27 o 38.14680 0.6243165 14.43877       0.4741782 13.00815       0.6368599 16.21846       0.7103162 -4.202892      1.248633  
1 1 1 21  2  28 o 5.454259 1.397667  0.1808209      0.2134261 -0.5161612E-01 0.2938657 0.4402819      0.3104791 -2.394108      2.795333  
1 1 1 21  2  29 o 87.64529 0.9971972 76.87069       1.744196  73.97596       2.374060  80.26569       2.571030  -3.563477      1.994394  
1 1 1 21  2  30 o 13.90260 0.8800343 1.935685       0.2444886 1.832639       0.3390270 2.047342       0.3529087 -0.7705297     1.760069  
1 1 1 21  2  31 o 61.96415 0.7768718 38.44935       0.9621323 37.51962       1.331599  39.46492       1.391712  -1.563248      1.553744  
1 1 1 21  2  32 o 25.45427 0.6643556 6.489169       0.3381656 6.368617       0.4735937 6.614569       0.4830225 -0.4822102     1.328711  
1 1 1 21  2  33 o 48.74046 0.9264846 23.99169       0.8890537 22.96025       1.368113  24.74566       1.169698  -1.859604      1.852969  
1 1 1 21  2  34 o 14.90251 1.263600  2.229490       0.3766161 2.229490       0.3766161 ?              ?         ?              ?         
1 1 1 21  2  35 o 5.899295 1.467385  0.2156540      0.2391859 -0.8138426E-01 0.3264119 0.5601065      0.3514993 -2.994975      2.934769  
1 1 1 21  2  36 o 17.88177 0.8215370 3.209898       0.2936839 3.257169       0.4112856 3.160720       0.4194997 0.2709236      1.643074  
1 1 1 21  2  37 o 32.62771 0.6674495 10.67319       0.4355095 10.78220       0.6141446 10.56293       0.6176775 0.3364792      1.334899  
1 1 1 21  2  38 o 36.44233 0.9328914 13.39044       0.6777713 14.35178       0.9476417 12.38368       0.9697681 2.704659       1.865783  
1 1 1 21  2  39 o 15.98809 0.9623249 2.562721       0.3071304 2.790046       0.4477980 2.360794       0.4220414 1.336951       1.924650  
1 1 1 21  2  40 f 18.21339 0.8559967 3.319758       0.3109626 3.000485       0.4261649 3.683316       0.4547618 -1.868870      1.711993  
1 1 1 21  2  41 o 34.23832 0.6933232 11.72256       0.4739489 12.59088       0.6938471 10.96301       0.6489347 2.369408       1.386646  
1 1 1 21  2  42 o 36.36807 0.7863683 13.29532       0.5623161 13.34949       0.7320247 13.21734       0.8782740 0.2098885      1.572737  
1 1 1 21  3  0  o 76.27448 0.8747470 57.87697       1.329023  54.83017       1.784873  61.66822       1.991025  -4.479507      1.749494  
1 1 1 21  3  1  o 125.9059 1.351193  158.3168       3.396468  164.2876       4.984593  153.1418       4.640506  4.418144       2.702386  
1 1 1 21  3  2  o 173.1156 1.826922  299.7812       6.317778  291.8260       8.682995  308.7305       9.209617  -4.864471      3.653844  
1 1 1 21  3  3  o 96.40212 1.062999  92.25098       2.036916  99.48923       3.094618  86.71787       2.705670  6.615631       2.125998  
1 1 1 21  3  4  o 87.08772 0.9737409 75.88132       1.695918  75.40839       2.382943  76.36672       2.414142  -0.5495529     1.947482  
1 1 1 21  3  5  o 61.76810 0.7486976 37.73882       0.9179083 34.88492       1.210752  41.59623       1.407613  -5.429302      1.497395  
1 1 1 21  3  6  o 17.07479 0.6659474 2.910511       0.2269267 3.193697       0.3283682 2.651628       0.3139620 1.587105       1.331895  
1 1 1 21  3  7  o 66.72946 1.140718  44.32045       1.516815  47.44966       2.266673  41.78281       2.041201  4.239388       2.281436  
1 1 1 21  3  8  f 45.67539 0.8390169 21.14322       0.7564734 23.40259       1.029386  18.49043       1.115415  5.379314       1.678034  
1 1 1 21  3  9  o 53.45702 0.6827850 28.54317       0.7293223 29.64222       1.059577  27.55366       1.005390  1.952328       1.365570  
1 1 1 21  3  10 o 69.17486 0.8118635 47.69495       1.120233  50.37136       1.659523  45.45446       1.518367  3.550140       1.623727  
1 1 1 21  3  11 o 49.17181 0.6549020 24.17138       0.6438174 24.88180       0.9256255 23.50559       0.8960837 1.398724       1.309804  
1 1 1 21  3  12 o 59.86742 0.9071846 36.39859       1.039281  34.00027       1.713298  37.79484       1.307256  -3.182880      1.814369  
1 1 1 21  3  13 o 118.9915 1.827849  142.0694       4.347666  139.4322       6.031567  144.9215       6.272569  -2.287727      3.655697  
1 1 1 21  3  14 o 91.02042 1.246508  83.25400       2.142158  83.75417       2.631330  82.27106       3.688740  0.8731995      2.493016  
1 1 1 21  3  15 o 18.15778 0.6517364 3.304028       0.2360421 3.377406       0.3242681 3.221324       0.3442556 0.4304047      1.303473  
1 1 1 21  3  16 o 57.96121 0.7218872 33.43758       0.8337845 31.59461       1.122291  35.70787       1.245628  -3.543842      1.443774  
1 1 1 21  3  17 o 30.69210 0.5871670 9.383316       0.3595888 8.616526       0.4911011 10.26956       0.5279688 -2.691774      1.174334  
1 1 1 21  3  18 o 15.55453 0.7387399 2.410813       0.2273696 1.956694       0.3105205 2.935711       0.3338431 -3.146108      1.477480  
1 1 1 21  3  19 o 73.94142 0.8615493 54.55235       1.270830  52.25199       1.724199  57.28836       1.880392  -3.397697      1.723099  
1 1 1 21  3  20 o 55.22694 0.7086229 30.51653       0.7825275 31.14372       1.121124  29.92069       1.092743  1.105930       1.417246  
1 1 1 21  3  21 o 87.90997 0.9916669 77.25016       1.740344  74.60277       2.375927  80.31503       2.556407  -3.236366      1.983334  
1 1 1 21  3  22 o 30.04162 0.5998533 9.037757       0.3600017 9.549286       0.5097044 8.528567       0.5085362 1.698792       1.199707  
1 1 1 21  3  23 o 17.23182 0.7829499 2.850977       0.2641420 2.349839       0.3353017 3.670669       0.4288270 -3.826527      1.565900  
1 1 1 21  3  24 o 34.16122 0.8133283 11.69378       0.5552233 11.81739       0.7719871 11.56132       0.7991243 0.3767281      1.626657  
1 1 1 21  3  25 o 24.04821 0.7367606 5.992815       0.3418692 4.768369       0.5217304 6.914133       0.4525652 -4.466211      1.473521  
1 1 1 21  3  26 f 16.43939 0.7541727 2.710428       0.2476551 2.817340       0.3466819 2.599015       0.3539042 0.6646004      1.508345  
1 1 1 21  3  27 o 40.99861 0.6355637 16.76454       0.5201001 15.75282       0.7090934 17.94258       0.7651683 -2.666630      1.271127  
1 1 1 21  3  28 o 25.31539 0.6489636 6.377384       0.3259567 7.610260       0.4805264 5.326584       0.4436264 4.507637       1.297927  
1 1 1 21  3  29 o 38.54622 0.6361987 14.87987       0.4904535 14.98414       0.6939796 14.77583       0.6932332 0.2701454      1.272397  
1 1 1 21  3  30 f 40.14048 0.6460850 15.95257       0.5155765 14.39568       0.6854902 17.98049       0.7823420 -4.456875      1.292170  
1 1 1 21  3  31 o 55.11843 0.8014228 30.60609       0.8774201 28.97654       1.298594  31.97496       1.190199  -2.732063      1.602846  
1 1 1 21  3  32 f 13.49895 1.441732  1.813847       0.3866054 2.116506       0.5848034 1.578890       0.5152610 1.976668       2.883464  
1 1 1 21  3  33 o 16.44678 1.133089  2.732666       0.3638427 2.779173       0.4686619 2.662111       0.5772442 0.3750229      2.266178  
1 1 1 21  3  34 o 23.98017 0.6876724 5.724139       0.3283433 5.038257       0.4456911 6.538227       0.4855617 -3.122753      1.375345  
1 1 1 21  3  35 o 27.72540 0.6723760 7.691410       0.3725082 7.293703       0.5154479 8.126211       0.5389499 -1.498552      1.344752  
1 1 1 21  3  36 o 29.62423 0.6672553 8.795171       0.3953060 8.648185       0.5554376 8.946042       0.5627278 -0.5018215     1.334511  
1 1 1 21  3  37 o 33.66684 0.6689779 11.30868       0.4491690 12.55287       0.6595526 10.23254       0.6133977 3.439882       1.337956  
1 1 1 21  3  38 f 18.96104 0.8073456 3.609144       0.3059684 3.596632       0.4248691 3.622625       0.4409904 -0.6571388E-01 1.614691  
1 1 1 21  3  39 o 48.86091 0.9331316 23.65807       0.8847802 22.64454       1.112378  25.40361       1.459814  -2.752129      1.866263  
1 1 1 21  3  40 o 35.42685 0.7225674 12.49426       0.5081192 13.37792       0.7769799 11.83394       0.6716507 2.161293       1.445135  
1 1 1 21  3  41 o 19.76481 0.8339465 3.932259       0.3289580 4.209136       0.4639350 3.652301       0.4665096 1.409193       1.667893  
1 1 1 21  3  42 o 18.97470 1.408392  3.608410       0.5290363 3.939925       0.8208762 3.372892       0.6918916 1.448885       2.816785  
1 1 1 21  4  0  o 46.98602 0.6813639 22.14274       0.6382130 20.24228       0.9076128 24.00155       0.8976092 -4.000542      1.362728  
1 1 1 21  4  1  o 135.6305 1.447717  184.0480       3.925109  180.8493       5.448109  187.5001       5.659828  -2.446091      2.895433  
1 1 1 21  4  2  o 15.90192 0.6653999 2.527771       0.2076500 3.228403       0.3040653 1.915449       0.2842572 4.128027       1.330800  
1 1 1 21  4  3  o 154.8762 1.641790  240.2448       5.085233  238.9591       7.149233  241.5614       7.234739  -0.8371124     3.283581  
1 1 1 21  4  4  o 141.3300 1.505818  199.5325       4.247432  192.8081       5.786782  207.3863       6.253933  -5.141617      3.011636  
1 1 1 21  4  5  f 55.48997 0.6955944 30.77014       0.7715080 31.69566       1.114951  29.91986       1.068674  1.599346       1.391189  
1 1 1 21  4  6  o 92.13139 1.021992  84.51042       1.875628  80.37883       2.520341  89.63891       2.807990  -5.017998      2.043985  
1 1 1 21  4  7  o 37.75504 0.5836061 14.13103       0.4385706 12.95251       0.5864328 15.62670       0.6606424 -3.540302      1.167212  
1 1 1 21  4  8  o 93.40510 1.034505  87.32074       1.932480  87.82764       2.748190  86.82494       2.717938  0.5357971      2.069010  
1 1 1 21  4  9  o 43.96123 0.7859645 18.84141       0.6311809 20.54900       1.183046  18.16195       0.7462653 2.703876       1.571929  
1 1 1 21  4  10 o 84.71962 1.366363  71.74504       2.311227  69.35728       3.159441  74.49376       3.389846  -3.020790      2.732726  
1 1 1 21  4  11 o 82.32771 1.337096  67.57375       2.193898  71.69347       3.272950  64.21234       2.956419  4.528351       2.674193  
1 1 1 21  4  12 o 58.75175 0.9176576 33.41997       0.9704969 32.05234       1.134783  37.14429       1.872630  -4.306454      1.835315  
1 1 1 21  4  13 o 137.3035 1.467966  188.5425       4.022563  196.1896       5.925271  182.0052       5.478488  5.136337       2.935932  
1 1 1 21  4  14 o 67.39447 0.7991399 45.42855       1.076640  44.56467       1.494939  46.35947       1.551854  -1.329491      1.598280  
1 1 1 21  4  15 o 165.2721 1.752132  274.2465       5.790820  276.7608       8.269608  271.8272       8.111591  1.479263       3.504264  
1 1 1 21  4  16 o 32.01557 0.5743979 10.25543       0.3677058 10.54575       0.5213583 9.968074       0.5186811 0.9020996      1.148796  
1 1 1 21  4  17 o 43.71950 0.6253112 19.11926       0.5466776 19.49335       0.7815194 18.76083       0.7649835 0.8371964      1.250622  
1 1 1 21  4  18 o 50.04001 0.6688182 24.96929       0.6680221 26.48323       0.9833426 23.67182       0.9103284 2.806416       1.337636  
1 1 1 21  4  19 o 7.980515 1.217717  0.6670421      0.1917014 0.7914681      0.2594029 0.5173199      0.2845525 1.815402       2.435433  
1 1 1 21  4  20 o 40.99386 0.6207275 16.67353       0.5065945 15.29609       0.6782709 18.41138       0.7618579 -3.796112      1.241455  
1 1 1 21  4  21 o 32.82265 0.5976591 10.78134       0.3922998 10.81712       0.5516285 10.74472       0.5580181 0.1105576      1.195318  
1 1 1 21  4  22 o 49.00427 0.6686711 24.01866       0.6549594 23.52761       0.9074221 24.55270       0.9463061 -1.043922      1.337342  
1 1 1 21  4  23 o 44.85884 0.6478038 20.10509       0.5806218 21.04920       0.8440318 19.25695       0.7999843 1.995266       1.295608  
1 1 1 21  4  24 o 38.55841 0.6124388 14.87605       0.4722025 14.52881       0.6605966 15.23886       0.6752343 -0.9199295     1.224878  
1 1 1 21  4  25 o 12.92185 1.139496  1.849569       0.2561373 2.141885       0.3174880 1.304629       0.4334869 3.402143       2.278992  
1 1 1 21  4  26 o 33.06225 0.8235230 10.79723       0.5398654 9.812799       0.7089116 12.15638       0.8329757 -3.533436      1.647046  
1 1 1 21  4  27 o 55.46682 0.7235460 30.81026       0.8025563 31.21893       1.146097  30.41707       1.124192  0.7210464      1.447092  
1 1 1 21  4  28 o 59.22237 0.7521710 35.13957       0.8908916 35.30756       1.264446  34.97397       1.255424  0.2808189      1.504342  
1 1 1 21  4  29 o 35.60211 0.6285226 12.68145       0.4472714 13.29687       0.6429018 12.10417       0.6226584 1.673374       1.257045  
1 1 1 21  4  30 o 60.11156 1.016252  36.26632       1.193018  36.32865       1.905399  36.22612       1.530053  0.3377151E-01  2.032504  
1 1 1 21  4  31 o 27.16298 0.8061817 7.003649       0.4032728 6.451668       0.4759218 8.409072       0.7594114 -3.570616      1.612363  
1 1 1 21  4  32 o 45.91076 0.8019536 21.17913       0.7099376 20.96419       1.168199  21.30499       0.8939576 -0.4031448     1.603907  
1 1 1 21  4  33 o 22.51657 0.7028402 5.100870       0.3150964 5.595474       0.4424779 4.591991       0.4488170 2.229040       1.405680  
1 1 1 21  4  34 o 42.64420 0.6695754 18.08739       0.5688966 20.08277       0.8486437 16.45887       0.7666696 4.239353       1.339151  
1 1 1 21  4  35 o 12.06943 1.055823  1.461732       0.2542942 1.420927       0.3463238 1.509470       0.3745897 -0.3615122     2.111646  
1 1 1 21  4  36 o 22.74719 0.7253106 5.195765       0.3294682 5.347455       0.4578038 5.032793       0.4745226 0.6939468      1.450621  
1 1 1 21  4  37 o 17.53802 0.8258827 3.094237       0.2890140 3.218923       0.4007745 2.959138       0.4171736 0.7433376      1.651765  
1 1 1 21  4  38 o 23.82673 0.7335601 5.649272       0.3474357 4.849826       0.4701934 6.610735       0.5156422 -3.687845      1.467120  
1 1 1 21  4  39 o 34.07602 0.6874464 11.64401       0.4684224 11.96384       0.6670268 11.33282       0.6579646 0.9245224      1.374893  
1 1 1 21  4  40 o 50.94957 0.9543995 25.87778       0.9500690 25.03882       1.210916  27.22120       1.532322  -2.068787      1.908799  
1 1 1 21  4  41 o 13.03238 1.263123  1.776158       0.3063834 2.404720       0.4394216 1.181486       0.4274111 4.839864       2.526246  
1 1 1 21  4  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  5  0  o 105.3020 1.608398  110.9940       3.386253  109.3148       4.716914  112.7797       4.864253  -1.640663      3.216795  
1 1 1 21  5  1  o 34.90586 0.7316040 12.18139       0.5104156 12.36128       0.7373264 12.01586       0.7072839 0.4943352      1.463208  
1 1 1 21  5  2  o 48.59811 0.7618063 23.90375       0.7213422 22.31983       1.137399  24.96947       0.9329718 -2.729408      1.523613  
1 1 1 21  5  3  o 78.90314 0.8977810 61.97270       1.411390  58.87107       1.898624  65.80374       2.110097  -4.388863      1.795562  
1 1 1 21  5  4  o 52.60027 0.6743083 27.66465       0.7092266 28.34568       1.015005  27.01492       0.9914064 1.264591       1.348617  
1 1 1 21  5  5  o 72.64056 0.8409531 51.88783       1.206547  47.42083       1.564009  58.45393       1.896204  -7.587250      1.681906  
1 1 1 21  5  6  o 36.07445 0.5663607 13.01681       0.4085552 13.33668       0.5796393 12.70100       0.5759470 0.8810081      1.132721  
1 1 1 21  5  7  o 69.12624 1.004393  48.38269       1.319826  45.99410       2.218345  49.69146       1.642074  -2.691391      2.008785  
1 1 1 21  5  8  o 82.07075 1.339030  67.35246       2.195148  65.32196       3.014369  69.64508       3.203030  -2.625641      2.678060  
1 1 1 21  5  9  o 115.2406 1.547888  131.2704       3.287543  128.4784       3.926239  137.8197       6.013390  -3.946075      3.095776  
1 1 1 21  5  10 o 84.84583 0.9575216 70.94240       1.605675  79.14322       2.514580  65.29652       2.086421  8.145599       1.915043  
1 1 1 21  5  11 o 60.13893 0.7331632 36.04385       0.8793134 34.38713       1.190157  38.03512       1.304810  -3.029724      1.466326  
1 1 1 21  5  12 o 45.89658 0.6266313 21.04762       0.5746811 20.46433       0.7924159 21.69477       0.8346735 -1.339310      1.253263  
1 1 1 21  5  13 o 33.96784 0.5807927 11.43228       0.3926508 12.96390       0.5886787 10.20475       0.5270094 4.059795       1.161585  
1 1 1 21  5  14 o 87.36096 1.406540  76.46977       2.456370  78.06721       3.540543  74.98730       3.410754  1.754189       2.813080  
1 1 1 21  5  15 o 57.11900 0.7153371 32.62364       0.8168307 33.53024       1.176558  31.78009       1.134914  1.530529       1.430674  
1 1 1 21  5  16 f 66.16928 0.7894971 43.76120       1.043859  45.27872       1.516307  42.39412       1.439191  2.176506       1.578994  
1 1 1 21  5  17 o 33.08692 0.5750610 10.95602       0.3804065 11.27523       0.5374441 10.63554       0.5385094 0.9667244      1.150122  
1 1 1 21  5  18 o 46.07929 0.6399666 21.24680       0.5897523 21.55585       0.8362724 20.94104       0.8318166 0.6669579      1.279933  
1 1 1 21  5  19 o 50.02904 0.6707610 24.98170       0.6701000 26.27489       0.9818453 23.85413       0.9168218 2.416504       1.341522  
1 1 1 21  5  20 o 40.23879 0.6143453 16.19636       0.4941645 15.98310       0.6863295 16.42592       0.7120904 -0.5491295     1.228691  
1 1 1 21  5  21 o 22.25456 0.6317957 4.961836       0.2787648 5.850175       0.4017560 4.137055       0.3871172 3.848259       1.263591  
1 1 1 21  5  22 o 39.34033 0.6211054 15.45372       0.4881076 16.42904       0.7098399 14.57891       0.6722682 2.349564       1.242211  
1 1 1 21  5  23 o 22.71978 0.6421826 5.192368       0.2897171 5.900136       0.4094142 4.482470       0.4100302 3.119925       1.284365  
1 1 1 21  5  24 o 19.73989 0.6866810 3.918966       0.2695510 4.372221       0.3795137 3.457551       0.3829143 2.317026       1.373362  
1 1 1 21  5  25 o 56.57703 0.7309229 32.00154       0.8260170 30.96721       1.133911  33.17104       1.205722  -1.942204      1.461846  
1 1 1 21  5  26 o 13.88285 0.9276024 1.945825       0.2497035 1.989606       0.3184117 1.875890       0.4024308 0.4178009      1.855205  
1 1 1 21  5  27 o 48.40280 0.9231606 23.48317       0.8928941 23.26030       1.234652  23.72754       1.292843  -0.4764786     1.846321  
1 1 1 21  5  28 o 64.46974 1.261847  41.71054       1.299788  41.93623       2.911901  41.65439       1.452524  0.2265930E-02  2.523695  
1 1 1 21  5  29 f 64.33466 1.160441  41.58763       1.492399  41.94648       2.148350  41.25296       2.074717  0.5276337      2.320881  
1 1 1 21  5  30 o 55.55017 0.7381439 30.92047       0.8199320 30.78227       1.147564  31.06461       1.171938  -0.2516708     1.476288  
1 1 1 21  5  31 o 52.21524 0.7113947 27.30344       0.7426612 28.02401       1.067228  26.62688       1.034118  1.334431       1.422789  
1 1 1 21  5  32 f 62.20629 0.7870377 38.78033       0.9788827 38.11823       1.364198  39.48305       1.405421  -1.092163      1.574075  
1 1 1 21  5  33 f 49.49171 0.7019005 24.45110       0.6931413 26.03763       1.023948  23.10919       0.9417072 2.948830       1.403801  
1 1 1 21  5  34 o 39.50574 0.6554477 15.64148       0.5178443 15.79291       0.7307498 15.48872       0.7339457 0.3853569      1.310895  
1 1 1 21  5  35 o 28.48114 0.6603137 8.117315       0.3758354 7.799348       0.5193487 8.466916       0.5445709 -1.168959      1.320627  
1 1 1 21  5  36 o 11.43754 1.175029  1.370806       0.2546668 1.588526       0.3437893 1.106065       0.3791011 2.267705       2.350057  
1 1 1 21  5  37 o 25.13670 0.7020701 6.347232       0.3523088 6.585830       0.4899306 6.091733       0.5069867 0.9852448      1.404140  
1 1 1 21  5  38 o 62.09926 0.8032537 38.71013       0.9974810 38.12916       1.396029  39.31610       1.425743  -0.9503479     1.606507  
1 1 1 21  5  39 o 29.71889 0.6931752 8.860353       0.4119046 8.915772       0.5771503 8.802821       0.5880446 0.1917343      1.386350  
1 1 1 21  5  40 o 9.443565 1.480499  0.9440411      0.2714941 0.9850883      0.3662333 0.8939638      0.4045162 0.4973068      2.960997  
1 1 1 21  5  41 o 36.27886 2.653336  13.48203       1.925200  13.48203       1.925200  ?              ?         ?              ?         
1 1 1 21  5  42 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  6  0  o 102.6929 1.125904  105.3973       2.309743  102.7953       3.176096  108.3180       3.365027  -2.684433      2.251808  
1 1 1 21  6  1  o 111.8597 1.213923  125.2049       2.715039  123.7753       3.787529  126.7160       3.893974  -1.311584      2.427845  
1 1 1 21  6  2  o 77.27583 1.117035  60.00281       1.710190  61.65669       2.285959  57.90046       2.577318  2.437851       2.234069  
1 1 1 21  6  3  o 19.48869 0.6189353 3.800731       0.2411373 3.880132       0.3384584 3.718881       0.3436398 0.4137840      1.237871  
1 1 1 21  6  4  o 97.53812 2.116428  0.000000       0.000000  ?              ?         95.29105       4.128647  ?              ?         
1 1 1 21  6  5  o 19.77230 1.495067  0.000000       0.000000  ?              ?         3.912857       0.5912183 ?              ?         
1 1 1 21  6  6  o 81.72449 1.339239  66.72574       2.185356  69.67849       3.204913  64.15979       2.987635  3.367668       2.678478  
1 1 1 21  6  7  o 85.11253 1.183866  72.88233       1.897598  73.58300       2.327052  71.49169       3.278362  1.264183       2.367732  
1 1 1 21  6  8  o 31.25047 0.5422422 9.580148       0.3355411 8.382375       0.4391133 11.26094       0.5201717 -4.604168      1.084484  
1 1 1 21  6  9  o 26.52239 0.5355434 6.948274       0.2822780 6.106199       0.3762597 8.032404       0.4269262 -3.630339      1.071087  
1 1 1 21  6  10 o 24.55187 0.5417770 6.032656       0.2658827 6.247845       0.3752429 5.815686       0.3767917 0.8801270      1.083554  
1 1 1 21  6  11 f 109.0313 1.186758  118.6682       2.580667  113.9155       3.496250  124.3569       3.825109  -4.771744      2.373515  
1 1 1 21  6  12 o 22.90663 0.5488743 5.254073       0.2511337 5.365052       0.3487112 5.134491       0.3619733 0.5035877      1.097749  
1 1 1 21  6  13 f 64.99959 0.7789221 41.50406       0.9994580 37.74802       1.293195  47.07543       1.574998  -7.164818      1.557844  
1 1 1 21  6  14 o 105.2204 1.151853  110.8769       2.423329  112.5406       3.475762  109.3031       3.380436  1.533073       2.303705  
1 1 1 21  6  15 o 61.65998 0.7520535 37.93961       0.9253951 36.46657       1.259210  39.66939       1.364539  -2.593052      1.504107  
1 1 1 21  6  16 o 81.62000 0.9283364 66.59418       1.513635  68.93257       2.206663  64.51625       2.080141  2.699059       1.856673  
1 1 1 21  6  17 o 61.07675 0.7483276 37.32933       0.9139058 36.99197       1.276830  37.68373       1.308674  -0.5649605     1.496655  
1 1 1 21  6  18 o 6.938212 1.115164  0.5298002      0.1695278 0.8383744      0.2252026 0.1262645      0.2575341 4.423996       2.230328  
1 1 1 21  6  19 o 16.09944 0.6830305 2.618171       0.2175365 2.802042       0.2936419 2.394511       0.3238592 1.267089       1.366061  
1 1 1 21  6  20 o 56.29535 0.7163227 31.54848       0.8039169 33.92747       1.197109  29.59433       1.084966  3.842953       1.432645  
1 1 1 21  6  21 o 48.03043 0.6640020 23.05291       0.6373041 24.08807       0.9243969 22.11517       0.8798228 2.051556       1.328004  
1 1 1 21  6  22 o 45.00317 0.6468329 20.16387       0.5805674 21.84098       0.8605716 18.76300       0.7865103 3.415756       1.293666  
1 1 1 21  6  23 o 66.02576 0.8025296 43.61117       1.058921  44.98634       1.535167  42.36301       1.462552  1.981400       1.605059  
1 1 1 21  6  24 o 13.56038 0.8444582 1.861982       0.2265009 2.031592       0.3081378 1.662619       0.3340732 1.362639       1.688916  
1 1 1 21  6  25 o 44.36314 0.6556119 19.67834       0.5812907 20.59915       0.8401076 18.83258       0.8051448 1.988636       1.311224  
1 1 1 21  6  26 f 80.54591 0.9338268 65.01149       1.503613  63.76735       2.088002  66.35162       2.167059  -1.596077      1.867654  
1 1 1 21  6  27 o 57.36107 1.090755  32.95496       1.249827  31.13214       1.720197  34.99316       1.818982  -3.352734      2.181511  
1 1 1 21  6  28 o 28.00866 1.014446  7.859458       0.5682652 7.859458       0.5682652 ?              ?         ?              ?         
1 1 1 21  6  29 o 49.16638 0.9300431 24.15570       0.9113992 23.14954       1.229506  25.38289       1.357857  -2.255074      1.860086  
1 1 1 21  6  30 o 27.34601 0.6415618 7.489272       0.3508263 7.681272       0.4989529 7.301538       0.4933807 0.6938133      1.283124  
1 1 1 21  6  31 o 17.87299 0.7720470 3.228262       0.2735938 3.479566       0.3732568 2.936470       0.4022026 1.522566       1.544094  
1 1 1 21  6  32 o 33.05531 0.6408876 10.93780       0.4233734 10.74140       0.5854357 11.15313       0.6129956 -0.6200371     1.281775  
1 1 1 21  6  33 o 41.52027 0.6657639 17.25369       0.5524454 16.67554       0.7635774 17.88873       0.8002645 -1.456715      1.331528  
1 1 1 21  6  34 o 32.53335 0.6501852 10.56620       0.4222439 9.897473       0.5764979 11.34010       0.6201778 -2.212135      1.300370  
1 1 1 21  6  35 o 35.55785 0.6532131 12.67116       0.4644982 12.90050       0.6591088 12.44488       0.6547125 0.6401520      1.306426  
1 1 1 21  6  36 o 12.25982 1.086775  1.496406       0.2643256 1.256346       0.3554603 1.793348       0.3953370 -2.181524      2.173551  
1 1 1 21  6  37 o 26.31421 0.6998091 6.922302       0.3676510 6.565332       0.5021385 7.334787       0.5397733 -1.456463      1.399618  
1 1 1 21  6  38 o 48.45466 0.7131899 23.54745       0.6910204 23.27510       0.9661270 23.83270       0.9887673 -0.5718193     1.426380  
1 1 1 21  6  39 f 24.85115 0.8591604 6.171569       0.4169937 6.361346       0.6704068 6.051817       0.5325480 0.5955467      1.718321  
1 1 1 21  6  40 o 30.01364 0.8782879 9.034019       0.4882210 8.995027       0.5878556 9.120706       0.8765169 -0.1466198     1.756576  
1 1 1 21  6  41 o 9.769276 1.607577  0.9859087      0.2937759 0.9430133      0.3577439 1.074737       0.5148055 -0.5830469     3.215155  
1 1 1 21  7  0  o 23.08715 0.5223233 5.261701       0.2392389 4.445196       0.3199298 6.297450       0.3603319 -4.010956      1.044647  
1 1 1 21  7  1  o 41.37500 0.7837110 17.72044       0.5999972 15.49665       1.037962  18.83640       0.7352915 -4.041389      1.567422  
1 1 1 21  7  2  o 24.84409 0.9955273 6.094610       0.4902817 5.089434       0.6557394 7.368858       0.7383074 -4.585417      1.991055  
1 1 1 21  7  3  o 26.22272 0.9891294 6.760908       0.5067229 9.127021       0.7698324 4.952068       0.6730986 7.958067       1.978259  
1 1 1 21  7  4  o 171.7464 2.568235  295.7543       8.821706  295.7543       8.821706  ?              ?         ?              ?         
1 1 1 21  7  5  o 77.82719 1.219956  60.47363       1.894811  63.21550       2.793031  58.13575       2.579073  3.255463       2.439911  
1 1 1 21  7  6  o 19.20263 0.5758511 3.545165       0.2158030 2.659633       0.2781092 4.885269       0.3421230 -5.793945      1.151702  
1 1 1 21  7  7  o 40.54516 0.6652161 16.60774       0.5297119 15.51436       0.8157949 17.40475       0.6965169 -2.333866      1.330432  
1 1 1 21  7  8  o 55.10995 0.6918418 30.38433       0.7625198 30.49924       1.083774  30.27168       1.073038  0.2061996      1.383684  
1 1 1 21  7  9  o 37.74891 0.5717919 14.25427       0.4316783 14.32092       0.6132717 14.18882       0.6077366 0.1748505      1.143584  
1 1 1 21  7  10 o 42.44937 0.6001263 17.95233       0.5082053 17.01435       0.6892964 19.06944       0.7522437 -2.419037      1.200253  
1 1 1 21  7  11 o 54.31413 0.6867304 29.50406       0.7458083 30.22627       1.068444  28.81778       1.041535  1.295788       1.373461  
1 1 1 21  7  12 o 86.28989 0.9688758 74.33602       1.668349  71.53474       2.269711  77.62841       2.460640  -3.522415      1.937752  
1 1 1 21  7  13 o 76.24535 0.8770967 58.18752       1.337365  57.70620       1.875831  58.68507       1.907198  -0.6405945     1.754193  
1 1 1 21  7  14 o 76.43472 0.8792824 58.15694       1.338431  55.11633       1.795408  61.96041       2.008045  -4.467484      1.758565  
1 1 1 21  7  15 o 55.44418 0.7015710 30.76302       0.7779181 30.71317       1.094031  30.81400       1.106357  -0.9046555E-01 1.403142  
1 1 1 21  7  16 f 86.96132 0.9787186 75.61905       1.700113  73.50785       2.335500  77.99883       2.479613  -2.574333      1.957437  
1 1 1 21  7  17 o 16.48505 0.6330217 2.689468       0.2074592 2.343580       0.2781430 3.123180       0.3114588 -2.363301      1.266043  
1 1 1 21  7  18 o 93.53728 1.042444  87.51930       1.947401  84.93753       2.670116  90.45324       2.846410  -2.936012      2.084887  
1 1 1 21  7  19 o 42.44452 0.6931208 18.23674       0.5816576 20.09897       0.7938280 16.07785       0.8547193 4.739845       1.386242  
1 1 1 21  7  20 o 61.18531 0.7589909 37.30417       0.9257301 35.42072       1.249095  39.59929       1.378863  -3.407509      1.517982  
1 1 1 21  7  21 o 85.60811 0.9722918 73.38715       1.663729  71.81947       2.305150  75.09172       2.403679  -1.903404      1.944584  
1 1 1 21  7  22 f 53.23336 0.6984182 28.36834       0.7434350 28.21425       1.039827  28.52946       1.063318  -0.2946472     1.396836  
1 1 1 21  7  23 o 52.01823 0.6933960 27.09293       0.7213662 27.36687       1.023162  26.82216       1.017196  0.5231819      1.386792  
1 1 1 21  7  24 o 52.57102 0.7025535 27.67429       0.7386110 27.48210       1.036218  27.87278       1.053094  -0.3703461     1.405107  
1 1 1 21  7  25 o 63.26157 0.9968194 40.22060       1.173473  39.92080       2.080247  40.36052       1.421178  -0.4165001     1.993639  
1 1 1 21  7  26 o 26.00311 0.9387702 6.264115       0.4433484 5.634666       0.5161774 8.034591       0.8656927 -4.576948      1.877540  
1 1 1 21  7  27 o 37.30988 0.6791146 13.83718       0.4986695 13.37822       0.6450419 14.51894       0.7861637 -1.516891      1.358229  
1 1 1 21  7  28 o 39.14753 0.6368039 15.34239       0.4984655 15.81128       0.7124209 14.89269       0.6976834 1.171989       1.273608  
1 1 1 21  7  29 o 14.75364 0.9419702 2.129454       0.2682531 1.988706       0.3331609 2.388909       0.4523383 -1.340981      1.883940  
1 1 1 21  7  30 o 42.00774 0.8614832 17.70477       0.7234387 17.87641       1.010632  17.52439       1.036035  0.4221458      1.722966  
1 1 1 21  7  31 o 51.78306 0.7524716 26.93028       0.7769363 26.12196       1.133922  27.64556       1.066668  -1.478622      1.504943  
1 1 1 21  7  32 o 8.440262 1.343130  0.7155861      0.2230179 0.4827321      0.2916965 1.043211       0.3460010 -3.171544      2.686260  
1 1 1 21  7  33 o 22.51854 0.6905606 5.061696       0.3103457 4.740026       0.4227360 5.437723       0.4570612 -1.544989      1.381121  
1 1 1 21  7  34 o 26.47656 0.6758503 7.019244       0.3571835 7.651347       0.5136982 6.427604       0.4969839 2.308987       1.351701  
1 1 1 21  7  35 o 11.77897 1.099760  1.432734       0.2522200 1.638357       0.3377655 1.173558       0.3792064 1.981518       2.199521  
1 1 1 21  7  36 o 16.07705 0.8635655 2.599319       0.2763367 2.635427       0.3743998 2.556110       0.4095613 0.2527475      1.727131  
1 1 1 21  7  37 o 55.60821 0.7546957 31.03244       0.8393249 30.85419       1.181925  31.21378       1.192110  -0.3216057     1.509391  
1 1 1 21  7  38 o 20.24899 1.206320  4.144063       0.4693656 4.114268       0.7787874 4.161059       0.5881943 -0.1660347     2.412640  
1 1 1 21  7  39 f 42.20340 0.7475231 17.96074       0.6253042 18.56607       0.8386797 17.20303       0.9383112 1.632492       1.495046  
1 1 1 21  7  40 f 21.84504 0.7697018 4.790559       0.3355871 4.769869       0.4595762 4.814192       0.4911827 -0.9538078E-01 1.539404  
1 1 1 21  7  41 o 28.38059 1.417172  0.000000       0.000000  ?              ?         8.112348       0.8044035 ?              ?         
1 1 1 21  8  0  o 57.98147 1.082819  33.17424       1.245965  37.62221       1.912288  29.89299       1.642454  6.657894       2.165638  
1 1 1 21  8  1  o 110.4875 1.723025  122.0723       3.800939  126.8526       5.575969  117.9230       5.194915  4.023613       3.446050  
1 1 1 21  8  2  o 97.90067 1.555356  95.50935       3.033290  101.6912       4.541938  90.53242       4.075336  5.678528       3.110712  
1 1 1 21  8  3  o 133.8338 2.046896  179.7355       5.478493  181.1713       7.804203  178.3405       7.692523  1.050705       4.093793  
1 1 1 21  8  4  o 43.22272 0.9662694 18.60343       0.8331047 20.45649       1.226906  17.01803       1.134847  3.974770       1.932539  
1 1 1 21  8  5  o 46.49188 0.9780499 21.60494       0.9088046 22.61437       1.312799  20.67602       1.259354  2.082878       1.956100  
1 1 1 21  8  6  o 84.95832 1.719527  70.07822       2.645277  67.15578       3.104962  77.81464       5.051897  -6.160736      3.439054  
1 1 1 21  8  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  8  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  8  9  f 5.900378 2.534978  0.000000       0.000000  ?              ?         -0.4434542E-01 0.5387062 ?              ?         
1 1 1 21  8  10 f 31.09317 0.9585870 9.640976       0.5949195 9.032458       0.8114740 10.34813       0.8747739 -2.112976      1.917174  
1 1 1 21  8  11 o 38.92284 0.5751847 15.15655       0.4477305 15.16939       0.6299472 15.14343       0.6364763 0.3351593E-01  1.150369  
1 1 1 21  8  12 f 36.11908 0.5700135 12.99321       0.4107608 13.91551       0.6073070 12.21552       0.5576692 2.351948       1.140027  
1 1 1 21  8  13 f 44.66862 0.6172662 19.93607       0.5509457 19.34125       0.7595963 20.59636       0.8003064 -1.403625      1.234532  
1 1 1 21  8  14 o 43.17101 0.6100001 18.63177       0.5263237 18.23886       0.7282432 19.06142       0.7615412 -0.9515800     1.220000  
1 1 1 21  8  15 o 45.17939 0.6252164 20.22306       0.5614577 18.69366       0.7451710 22.23151       0.8539384 -3.911564      1.250433  
1 1 1 21  8  16 o 62.43355 0.7617167 38.98766       0.9506023 38.17735       1.317915  39.86642       1.372452  -1.350243      1.523433  
1 1 1 21  8  17 f 67.24829 0.8012576 45.15445       1.075539  43.42494       1.466236  47.16909       1.582493  -2.777672      1.602515  
1 1 1 21  8  18 o 66.69649 0.8001453 44.53901       1.067262  44.39499       1.499389  44.68690       1.519484  -0.2177048     1.600291  
1 1 1 21  8  19 o 61.50933 0.7581534 37.84209       0.9319996 36.98826       1.288842  38.77795       1.349331  -1.451542      1.516307  
1 1 1 21  8  20 o 17.24116 0.6619844 3.013289       0.2253761 3.357817       0.3080041 2.616213       0.3306604 2.151855       1.323969  
1 1 1 21  8  21 o 82.54290 0.9450349 68.27843       1.560097  68.17515       2.199910  68.38295       2.212768  -0.1248474     1.890070  
1 1 1 21  8  22 o 23.10641 0.6043307 5.340485       0.2787406 5.287619       0.3816527 5.400924       0.4080696 -0.2437191     1.208661  
1 1 1 21  8  23 o 43.70473 0.8468963 18.84535       0.6667611 19.81939       1.268871  18.47380       0.7836794 1.498482       1.693793  
1 1 1 21  8  24 f 42.04459 1.016290  17.64061       0.8523875 16.28741       1.158519  19.23772       1.258608  -3.497833      2.032580  
1 1 1 21  8  25 o 51.74469 0.6996066 26.79497       0.7237252 27.73923       1.040372  25.90956       1.007427  1.765404       1.399213  
1 1 1 21  8  26 o 21.02536 0.6803796 4.413630       0.2855526 4.210454       0.3893122 4.650222       0.4201088 -1.043291      1.360759  
1 1 1 21  8  27 o 7.979175 1.364890  0.6453039      0.2148046 0.5116481      0.2803451 0.8353371      0.3342824 -1.916064      2.729781  
1 1 1 21  8  28 o 66.77542 0.8229141 44.68892       1.098773  45.48454       1.573976  43.93263       1.534573  1.157646       1.645828  
1 1 1 21  8  29 o 44.02083 0.6658016 19.19509       0.5827940 17.31943       0.7757902 21.62476       0.8829613 -4.880100      1.331603  
1 1 1 21  8  30 o 8.852594 1.278334  0.8382850      0.2189929 1.008328       0.2906652 0.6150370      0.3330488 2.334348       2.556669  
1 1 1 21  8  31 o 18.19457 0.9022114 3.303995       0.3223363 3.229084       0.4157568 3.416874       0.5103546 -0.5028095     1.804423  
1 1 1 21  8  32 o 37.89269 0.7363168 14.38105       0.5454329 14.47054       0.8696981 14.32303       0.7002632 0.1731567      1.472634  
1 1 1 21  8  33 o 28.71101 0.6519899 8.249470       0.3738198 8.914316       0.5386872 7.631915       0.5191746 2.231050       1.303980  
1 1 1 21  8  34 o 35.03138 0.6530638 12.22613       0.4561391 11.34454       0.6165444 13.29216       0.6779795 -2.772488      1.306128  
1 1 1 21  8  35 o 22.77315 0.7230572 5.236499       0.3270206 5.786633       0.4546914 4.647005       0.4706767 2.504404       1.446114  
1 1 1 21  8  36 o 37.60723 0.6677637 14.13245       0.5013391 13.38318       0.6843296 15.00043       0.7365477 -2.142918      1.335527  
1 1 1 21  8  37 f 34.88464 1.089321  12.24573       0.7554982 12.38866       1.134710  12.13191       1.012564  0.3385506      2.178643  
1 1 1 21  8  38 f 29.95021 0.6885780 8.996644       0.4110287 10.02624       0.5897999 8.024450       0.5731233 3.339241       1.377156  
1 1 1 21  8  39 o 10.31940 1.366772  1.197449       0.2643041 1.594895       0.3505381 0.6737964      0.4023629 4.533116       2.733545  
1 1 1 21  8  40 o 43.92495 0.7040561 19.20243       0.6159899 21.45326       0.9200976 17.37414       0.8292506 4.627686       1.408112  
1 1 1 21  9  0  o 112.0237 1.746434  124.9962       3.893275  133.6510       5.870728  118.2017       5.201638  6.861618       3.492867  
1 1 1 21  9  1  o 137.6417 2.103661  190.0951       5.789220  193.2646       8.314151  187.1120       8.065881  2.219086       4.207322  
1 1 1 21  9  2  o 151.4461 2.299471  230.0601       6.955308  237.6481       10.16250  223.3738       9.539609  4.666885       4.598943  
1 1 1 21  9  3  o 29.16018 0.9799087 8.473751       0.5678149 9.919937       0.8313918 7.209455       0.7773522 4.645834       1.959817  
1 1 1 21  9  4  o 13.74916 1.475645  1.893091       0.4055074 1.862443       0.5615573 1.926487       0.5861834 -0.2316713     2.951289  
1 1 1 21  9  5  o 117.8859 1.830890  139.3884       4.315840  141.3638       6.179978  137.5077       6.029831  1.625969       3.661779  
1 1 1 21  9  6  o 43.10610 0.9663391 18.60106       0.8330339 18.76078       1.174034  18.43912       1.182184  0.3734016      1.932678  
1 1 1 21  9  7  o 65.21072 1.157876  42.57468       1.509836  43.47215       2.160239  41.71760       2.111073  1.342964       2.315752  
1 1 1 21  9  8  o 92.34471 1.487088  85.44813       2.745149  87.40141       3.958426  83.63833       3.810266  2.027855       2.974175  
1 1 1 21  9  9  o 38.20409 1.415002  14.61419       1.081177  14.61419       1.081177  ?              ?         ?              ?         
1 1 1 21  9  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  9  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  9  12 o 82.60652 1.371096  68.42147       2.265106  68.04459       3.183537  68.80787       3.223524  -0.4591675     2.742192  
1 1 1 21  9  13 o 106.0072 1.673661  112.8213       3.547562  111.4440       4.952707  114.2726       5.083884  -1.322357      3.347322  
1 1 1 21  9  14 o 57.41138 0.7140183 32.64578       0.8139331 30.31483       1.075367  35.77219       1.245414  -4.746117      1.428037  
1 1 1 21  9  15 o 86.62181 0.9763792 75.11690       1.690961  76.51562       2.429563  73.80277       2.354943  1.561600       1.952758  
1 1 1 21  9  16 o 71.35852 0.8374711 50.98637       1.195200  50.87936       1.685515  51.09458       1.695061  -0.1502762     1.674942  
1 1 1 21  9  17 o 59.32456 0.7374062 35.12422       0.8732328 36.93506       1.284752  33.56932       1.190502  2.831837       1.474812  
1 1 1 21  9  18 o 60.65525 0.7482225 36.74898       0.9064143 38.38214       1.325261  35.31350       1.242468  2.525185       1.496445  
1 1 1 21  9  19 o 67.05711 0.8042272 44.97194       1.077707  46.46745       1.563141  43.61700       1.487860  2.120659       1.608454  
1 1 1 21  9  20 o 79.64516 0.9171158 63.54839       1.460647  62.93605       2.044070  64.18730       2.087962  -0.7821350     1.834232  
1 1 1 21  9  21 o 27.61533 0.8709108 7.944388       0.4168837 7.026840       0.8057657 8.279770       0.4871512 -2.292267      1.741822  
1 1 1 21  9  22 o 47.82392 1.038304  22.92729       0.9927648 23.44098       1.427386  22.44597       1.381692  1.035553       2.076608  
1 1 1 21  9  23 o 52.69724 0.7002118 27.78738       0.7375480 27.17686       1.021917  28.45116       1.065551  -1.205868      1.400424  
1 1 1 21  9  24 o 28.25699 0.7194832 8.003075       0.4057249 8.088614       0.5573920 7.906679       0.5917076 0.3246326      1.438966  
1 1 1 21  9  25 o 12.06172 0.8553274 1.447465       0.2033853 1.396821       0.2640691 1.521315       0.3188829 -0.5105562     1.710655  
1 1 1 21  9  26 o 45.53759 0.6657948 20.73823       0.6059075 21.79303       0.8759759 19.77063       0.8389857 2.217468       1.331590  
1 1 1 21  9  27 o 35.11493 0.6231118 12.34945       0.4374451 12.79539       0.6209275 11.91001       0.6163793 1.260303       1.246224  
1 1 1 21  9  28 o 42.32019 0.6501363 17.79516       0.5475889 16.53638       0.7315041 19.39967       0.8258697 -3.374447      1.300273  
1 1 1 21  9  29 o 24.54133 0.6438236 5.976448       0.3142318 5.518125       0.4181647 6.570978       0.4762642 -2.139614      1.287647  
1 1 1 21  9  30 o 19.04595 0.7257498 3.670814       0.2737562 4.088960       0.3778241 3.208677       0.3972019 2.313034       1.451500  
1 1 1 21  9  31 o 36.11419 0.6411880 13.06676       0.4630496 13.38597       0.6578317 12.75328       0.6519104 0.8753204      1.282376  
1 1 1 21  9  32 o 22.94845 0.8436682 5.339802       0.3824433 5.734881       0.5147954 4.853194       0.5713237 1.929350       1.687336  
1 1 1 21  9  33 o 27.00999 0.7552210 7.311132       0.4073826 7.410858       0.5939903 7.222562       0.5597824 0.3439579      1.510442  
1 1 1 21  9  34 o 59.90558 0.7764235 35.99653       0.9301228 35.53411       1.302689  36.47744       1.328475  -0.7835007     1.552847  
1 1 1 21  9  35 o 41.51962 0.9210286 18.01025       0.6980416 15.56787       1.232047  19.16491       0.8471243 -4.400028      1.842057  
1 1 1 21  9  36 o 8.222728 1.802717  0.6495553      0.2819408 0.6347917      0.3152081 0.7086309      0.6305294 -0.9006958     3.605435  
1 1 1 21  9  37 f 9.675415 1.335214  0.9338012      0.2514230 0.7062586      0.3280753 1.257615       0.3913722 -2.970429      2.670428  
1 1 1 21  9  38 o 41.46280 0.6882431 17.24319       0.5706339 17.69491       0.8124755 16.80345       0.8016304 1.073235       1.376486  
1 1 1 21  9  39 o 20.50529 0.7930474 4.246802       0.3230136 4.476929       0.4397260 3.977079       0.4760541 1.226009       1.586095  
1 1 1 21  9  40 o 7.751438 1.744934  0.6121263      0.3124971 0.7676253      0.3999183 0.3683059      0.5007745 1.568023       3.489868  
1 1 1 21  10 0  o 64.70391 1.156605  41.90514       1.496286  41.42955       2.086099  42.40908       2.147368  -0.7546082     2.313210  
1 1 1 21  10 1  o 123.3322 1.907057  152.3214       4.696577  157.9120       6.879518  147.4414       6.427431  4.216042       3.814113  
1 1 1 21  10 2  f 38.56312 0.9655166 14.74320       0.7403588 17.15054       1.104474  12.77881       0.9976996 5.664783       1.931033  
1 1 1 21  10 3  o 33.81726 0.9634957 11.43686       0.6513665 11.10842       0.9050412 11.78980       0.9381959 -1.006325      1.926991  
1 1 1 21  10 4  o 12.42359 1.654764  1.579148       0.3968345 0.8178810      0.5344543 2.514533       0.5924303 -6.838324      3.309529  
1 1 1 21  10 5  f 49.23079 1.022896  24.26194       1.007081  24.64682       1.434054  23.88743       1.414601  0.7704506      2.045793  
1 1 1 21  10 6  o 135.6360 2.082422  184.6772       5.642348  190.2830       8.223457  179.6906       7.756012  3.862549       4.164843  
1 1 1 21  10 7  o 46.05570 1.005547  21.20879       0.9255641 22.24086       1.337058  20.25917       1.282534  2.148945       2.011093  
1 1 1 21  10 8  o 49.14375 1.023830  23.99173       1.001394  22.31556       1.337836  26.12746       1.510137  -3.870228      2.047661  
1 1 1 21  10 9  o 41.78947 0.9800755 17.29792       0.8139485 15.86865       1.079364  19.18225       1.239340  -3.957176      1.960151  
1 1 1 21  10 10 f 66.54826 1.186102  44.31943       1.576946  43.25958       2.170572  45.50417       2.294894  -1.679077      2.372204  
1 1 1 21  10 11 o 75.96911 1.833858  57.85710       2.786331  57.85710       2.786331  ?              ?         ?              ?         
1 1 1 21  10 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  10 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  10 14 f 75.31683 1.296325  56.83791       1.951345  55.61502       2.699611  58.17592       2.823813  -1.690414      2.592651  
1 1 1 21  10 15 o 51.55353 1.058476  26.54931       1.089616  28.30733       1.595136  25.01142       1.491934  3.189293       2.116951  
1 1 1 21  10 16 f 92.11153 1.504925  85.20071       2.771718  86.35072       3.973861  84.11124       3.867888  1.204422       3.009849  
1 1 1 21  10 17 o 87.25090 0.9845783 76.17964       1.716481  78.37965       2.493966  74.19958       2.366026  2.386497       1.969157  
1 1 1 21  10 18 f 32.61916 0.5629346 10.63877       0.3669238 11.29025       0.5265301 10.02368       0.5116088 1.940798       1.125869  
1 1 1 21  10 19 o 80.24521 1.161527  64.77908       1.740289  64.09238       3.063153  65.10638       2.114737  -0.7224197     2.323054  
1 1 1 21  10 20 o 41.09890 1.037855  16.77027       0.8486738 15.26544       1.132731  18.69599       1.281380  -4.159721      2.075710  
1 1 1 21  10 21 o 61.60870 0.7655960 38.01574       0.9432346 37.85329       1.322527  38.18391       1.345644  -0.2665749     1.531192  
1 1 1 21  10 22 o 29.47386 0.6890190 8.703485       0.4059569 8.958566       0.5715507 8.443782       0.5767034 0.8736591      1.378038  
1 1 1 21  10 23 o 35.83774 0.6050601 12.85882       0.4336449 13.01947       0.6124122 12.69727       0.6141242 0.4496422      1.210120  
1 1 1 21  10 24 o 54.76460 1.107290  30.04962       1.211476  28.72620       1.666823  31.53162       1.763865  -2.548851      2.214579  
1 1 1 21  10 25 o 11.84690 0.8443642 1.388490       0.1983193 1.274323       0.2603569 1.546291       0.3060931 -1.143040      1.688728  
1 1 1 21  10 26 o 23.21407 0.7335151 5.517370       0.3323086 4.726696       0.5059268 6.117326       0.4407057 -3.001467      1.467030  
1 1 1 21  10 27 o 6.912276 1.305039  0.5050298      0.1841243 0.5656734      0.2413180 0.4205373      0.2848434 0.8870234      2.610078  
1 1 1 21  10 28 o 33.68582 0.6228185 11.33968       0.4188944 10.95017       0.5726204 11.78809       0.6143957 -1.239971      1.245637  
1 1 1 21  10 29 o 29.81298 0.6328275 8.916580       0.3767502 9.316565       0.5270770 8.498724       0.5387244 1.372702       1.265655  
1 1 1 21  10 30 o 39.65305 0.6497138 15.69868       0.5139223 15.03147       0.6970099 16.49352       0.7607591 -1.836853      1.299428  
1 1 1 21  10 31 o 39.71892 0.6495910 15.78331       0.5156001 16.52020       0.7471511 15.11332       0.7124252 1.767086       1.299182  
1 1 1 21  10 32 o 29.42038 0.6485989 8.668575       0.3811044 9.322536       0.5462538 8.048398       0.5319567 2.163761       1.297198  
1 1 1 21  10 33 o 47.68829 0.8276530 22.19064       0.7441912 21.02047       0.9009705 24.70323       1.320221  -3.797009      1.655306  
1 1 1 21  10 34 o 30.04457 1.955703  0.000000       0.000000  ?              ?         9.123920       1.175165  ?              ?         
1 1 1 21  10 35 o 34.43680 0.6615166 11.89172       0.4555528 12.01184       0.6413650 11.76942       0.6471722 0.3527870      1.323033  
1 1 1 21  10 36 o 12.71172 1.018898  1.603316       0.2534927 1.189369       0.3386306 2.130959       0.3823175 -3.693967      2.037796  
1 1 1 21  10 37 o 17.81183 0.8256034 3.196590       0.2922745 3.285072       0.3951911 3.089757       0.4342402 0.5556717      1.651207  
1 1 1 21  10 38 o 32.36474 0.6796617 10.50167       0.4397179 10.28679       0.6101537 10.73385       0.6342565 -0.6865425     1.359323  
1 1 1 21  10 39 o 12.05003 1.299939  1.575300       0.2840555 1.793856       0.3604462 1.217118       0.4614358 2.603067       2.599879  
1 1 1 21  11 0  o 8.804535 1.936335  0.7414456      0.3932717 0.4159729      0.5517339 1.077601       0.5607152 -2.757388      3.872669  
1 1 1 21  11 1  o 25.96221 1.053603  6.602133       0.5388820 5.218927       0.7106846 8.473182       0.8265629 -6.262886      2.107206  
1 1 1 21  11 2  o 50.25191 1.029920  25.25570       1.034572  26.20174       1.491477  24.37836       1.436296  1.812038       2.059840  
1 1 1 21  11 3  f 36.80581 0.9983286 13.26736       0.7256469 16.60842       1.116600  10.82470       0.9547437 7.850391       1.996657  
1 1 1 21  11 4  o 90.68562 1.476579  82.44959       2.677762  81.81619       3.752312  83.10692       3.822519  -0.7071152     2.953158  
1 1 1 21  11 5  o 156.2628 2.377803  245.7876       7.427727  250.3966       10.70418  241.5074       10.31539  2.802841       4.755606  
1 1 1 21  11 6  o 124.9104 1.936346  156.7827       4.837384  156.7901       6.833634  156.7752       6.848577  0.7308960E-02  3.872693  
1 1 1 21  11 7  o 81.69539 1.366199  66.89983       2.232088  67.55261       3.179653  66.26561       3.134139  0.7847443      2.732398  
1 1 1 21  11 8  o 37.50202 0.9828671 14.01680       0.7354453 13.04003       1.000315  15.16595       1.084991  -2.830307      1.965734  
1 1 1 21  11 9  o 70.13954 1.227111  49.21321       1.719461  51.19432       2.505142  47.44855       2.364334  2.661308       2.454222  
1 1 1 21  11 10 o 30.69976 1.008517  9.308669       0.6148587 8.107770       0.8176051 10.87189       0.9328257 -4.495646      2.017035  
1 1 1 21  11 11 f 16.58689 1.376869  2.761179       0.4560456 2.794950       0.6298169 2.723957       0.6612201 0.2163734      2.753738  
1 1 1 21  11 12 o 55.62902 1.093531  30.96428       1.215287  30.17664       1.672013  31.84642       1.769475  -1.494709      2.187062  
1 1 1 21  11 13 o 76.78815 1.857475  59.14302       2.852641  59.14302       2.852641  ?              ?         ?              ?         
1 1 1 21  11 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  11 15 o 52.17510 2.296564  0.000000       0.000000  ?              ?         27.36486       2.396469  ?              ?         
1 1 1 21  11 16 o 37.63090 1.014763  14.13412       0.7621981 13.22511       1.039776  15.18990       1.120576  -2.604713      2.029525  
1 1 1 21  11 17 f 47.11655 1.058523  22.00475       0.9918348 25.01119       1.498484  19.66068       1.323154  5.663219       2.117046  
1 1 1 21  11 18 o 24.69479 1.164526  6.115944       0.5690761 7.362717       0.8257176 4.987990       0.7853867 4.804239       2.329052  
1 1 1 21  11 19 o 25.90797 0.5340889 6.708348       0.2762578 6.577738       0.3780943 6.857935       0.4046291 -0.5394783     1.068178  
1 1 1 21  11 20 o 15.58782 0.6188520 2.410788       0.1893727 1.825726       0.2553525 3.125834       0.2822969 -4.168642      1.237704  
1 1 1 21  11 21 o 31.67824 0.5777668 9.925676       0.3637876 11.51397       0.5482458 8.676228       0.4862603 4.475273       1.155534  
1 1 1 21  11 22 o 33.13280 0.5871680 10.98601       0.3888561 10.89576       0.5396560 11.08347       0.5608047 -0.2819252     1.174336  
1 1 1 21  11 23 f 54.76421 0.7176833 29.92549       0.7839683 28.53440       1.062477  31.58805       1.161530  -2.779762      1.435367  
1 1 1 21  11 24 o 49.53454 0.6828600 24.55093       0.6760038 23.93980       0.9344333 25.22196       0.9791619 -1.290428      1.365720  
1 1 1 21  11 25 o 46.67166 0.6645205 21.80948       0.6201193 21.45272       0.8648446 22.18699       0.8896434 -0.7844696     1.329041  
1 1 1 21  11 26 o 30.42631 0.6060709 9.281941       0.3681621 9.908296       0.5203770 8.654223       0.5209430 2.060886       1.212142  
1 1 1 21  11 27 o 31.21260 0.6111915 9.756162       0.3814334 10.07205       0.5422629 9.446790       0.5366378 1.001127       1.222383  
1 1 1 21  11 28 o 31.08797 0.6186659 9.685911       0.3844196 9.990961       0.5405887 9.373850       0.5467668 0.9930820      1.237332  
1 1 1 21  11 29 o 55.23608 0.7371602 30.56479       0.8139544 30.00107       1.129882  31.17294       1.173572  -1.055706      1.474320  
1 1 1 21  11 30 o 27.05429 0.6424285 7.334195       0.3455230 8.442433       0.4977700 6.303667       0.4800009 3.950760       1.284857  
1 1 1 21  11 31 f 14.11634 0.8551137 1.933632       0.2351878 1.412534       0.3057358 2.688946       0.3680870 -4.511763      1.710227  
1 1 1 21  11 32 f 38.37879 0.9252805 15.26157       0.6208792 13.82103       1.191574  15.79844       0.7274328 -2.651020      1.850561  
1 1 1 21  11 33 o 50.50645 0.9285480 25.96957       0.8646419 26.53065       1.044257  24.74614       1.541986  1.855377       1.857096  
1 1 1 21  11 34 o 26.62344 0.7423694 7.162038       0.3842095 7.339301       0.4922251 6.885633       0.6146513 0.8704739      1.484739  
1 1 1 21  11 35 o 11.36035 1.322873  1.423374       0.2750497 1.929129       0.3743821 0.8302596      0.4054284 4.978230       2.645746  
1 1 1 21  11 36 o 23.45790 0.7138727 5.521496       0.3338926 5.532115       0.4549916 5.509106       0.4915108 0.5491257E-01  1.427745  
1 1 1 21  11 37 o 32.46169 0.6678377 10.57205       0.4334720 10.68353       0.6082110 10.45697       0.6179490 0.3505402      1.335675  
1 1 1 21  11 38 o 21.51734 0.7473787 4.635657       0.3207121 4.494942       0.4347645 4.803633       0.4750142 -0.7098923     1.494757  
1 1 1 21  11 39 o 20.55985 1.393539  0.000000       0.000000  ?              ?         4.256725       0.5730193 ?              ?         
1 1 1 21  12 0  o 26.84793 1.020149  7.239844       0.5457480 7.883534       0.7670190 6.579836       0.7766802 2.428341       2.040297  
1 1 1 21  12 1  o 38.38443 0.9901186 14.74062       0.7585607 16.07660       1.089389  13.48318       1.056883  3.376816       1.980237  
1 1 1 21  12 2  o 59.86433 1.121877  35.45219       1.333605  39.66876       2.040611  32.30865       1.761933  6.133373       2.243754  
1 1 1 21  12 3  o 31.91874 1.001355  10.16423       0.6380181 9.405430       0.8741776 11.02915       0.9333101 -2.540838      2.002710  
1 1 1 21  12 4  o 128.4829 1.988014  165.8369       5.106321  168.9916       7.352939  162.8982       7.096730  2.347733       3.976027  
1 1 1 21  12 5  o 108.4817 1.716848  118.1492       3.724913  118.0561       5.258209  118.2430       5.277488  -0.8456421E-01 3.433696  
1 1 1 21  12 6  o 58.32831 1.125217  33.75514       1.305897  37.48882       1.971781  30.83779       1.742950  5.688641       2.250435  
1 1 1 21  12 7  o 87.86238 1.450275  77.41804       2.548051  76.59958       3.563819  78.27397       3.644511  -0.9468231     2.900551  
1 1 1 21  12 8  o 88.68020 1.459766  78.75596       2.585971  81.64668       3.770853  76.18948       3.553086  3.059952       2.919533  
1 1 1 21  12 9  o 68.99739 1.222154  47.65098       1.684797  46.35123       2.320206  49.10076       2.450450  -1.983810      2.444309  
1 1 1 21  12 10 o 19.17822 1.330327  3.608515       0.5017765 2.804286       0.6621659 4.693172       0.7689947 -4.916618      2.660653  
1 1 1 21  12 11 o 31.64496 1.025499  10.01172       0.6482358 9.639952       0.8900782 10.43163       0.9459593 -1.247448      2.050998  
1 1 1 21  12 12 o 30.85761 1.037748  9.545826       0.6396742 9.647697       0.8858389 9.434826       0.9246826 0.3475723      2.075496  
1 1 1 21  12 13 o 89.35423 1.474790  79.19231       2.611402  73.30660       3.423973  87.37662       4.037581  -7.809669      2.949581  
1 1 1 21  12 14 o 127.7892 1.992123  164.5549       5.090674  162.9433       7.125772  166.2348       7.275153  -1.266998      3.984246  
1 1 1 21  12 15 o 62.74121 1.677404  39.48094       2.104847  39.48094       2.104847  ?              ?         ?              ?         
1 1 1 21  12 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  12 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  12 18 o 10.05885 2.101903  1.041999       0.4796020 1.444297       0.6372647 0.5164909      0.7283425 3.337634       4.203806  
1 1 1 21  12 19 o 12.44226 2.003533  1.646732       0.4901689 1.973301       0.6787130 1.290704       0.7086635 2.648129       4.007066  
1 1 1 21  12 20 o 53.86896 1.119798  29.12128       1.206321  29.69632       1.718097  28.56216       1.694147  1.049889       2.239596  
1 1 1 21  12 21 o 67.09573 0.8109111 45.10777       1.088135  45.30862       1.546557  44.91087       1.531269  0.2950592      1.621822  
1 1 1 21  12 22 o 25.01642 0.5529985 6.244943       0.2761941 5.938700       0.3771771 6.599011       0.4055605 -1.317930      1.105997  
1 1 1 21  12 23 f 27.97836 0.5698507 7.838169       0.3188004 8.013426       0.4503353 7.662103       0.4513704 0.6279163      1.139701  
1 1 1 21  12 24 o 37.85119 0.6153549 14.34883       0.4656844 14.40783       0.6510043 14.28699       0.6664207 0.1608696      1.230710  
1 1 1 21  12 25 o 29.09462 0.5872866 8.476265       0.3415829 8.478417       0.4759994 8.473979       0.4904677 0.8779526E-02  1.174573  
1 1 1 21  12 26 o 38.22398 0.6266721 14.63119       0.4789740 15.06690       0.6819118 14.20689       0.6729208 1.124153       1.253344  
1 1 1 21  12 27 o 34.48741 1.111212  11.93528       0.7658088 12.58932       1.107642  11.33634       1.059965  1.808819       2.222425  
1 1 1 21  12 28 o 16.98931 0.6953965 2.892958       0.2355969 2.898402       0.3213198 2.886630       0.3464683 0.3736687E-01  1.390793  
1 1 1 21  12 29 o 39.96900 0.6479487 15.92281       0.5165455 17.51716       0.7618964 14.56658       0.7027005 3.684479       1.295897  
1 1 1 21  12 30 o 47.08014 0.7699082 22.38146       0.7160348 21.17224       1.084867  23.31483       0.9531282 -2.293251      1.539816  
1 1 1 21  12 31 o 35.89503 1.166050  12.97831       0.8368142 13.22311       1.175804  12.72705       1.191215  0.6942291      2.332100  
1 1 1 21  12 32 o 30.11514 0.6486107 9.052261       0.3895864 8.602865       0.5276198 9.591010       0.5776960 -1.634293      1.297221  
1 1 1 21  12 33 o 67.96198 0.8418514 46.33620       1.143711  45.17448       1.587180  47.59097       1.649525  -1.767250      1.683703  
1 1 1 21  12 34 o 17.51567 0.7588853 3.055902       0.2647374 2.827048       0.3551580 3.342058       0.3971403 -1.463017      1.517771  
1 1 1 21  12 35 o 32.72866 0.7332370 10.52244       0.4623975 9.953962       0.5740476 11.57282       0.7802985 -2.439623      1.466474  
1 1 1 21  12 36 o 11.94648 1.089888  1.427304       0.2561102 1.379170       0.3308781 1.499241       0.4045037 -0.4835548     2.179776  
1 1 1 21  12 37 o 4.376625 1.339368  -0.3128826E-01 0.2110914 -0.1998030E-01 0.2699480 -0.4908537E-01 0.3386591 -0.4152408     2.678737  
1 1 1 21  12 38 o 24.29230 0.8568867 5.934412       0.4142306 5.959909       0.5592467 5.903422       0.6165588 0.1284618      1.713773  
1 1 1 21  13 0  o 93.83728 1.522028  88.31636       2.856441  88.72305       4.047009  87.91264       4.032269  0.4307938      3.044056  
1 1 1 21  13 1  o 32.21850 1.025454  10.40238       0.6602447 10.66223       0.9232709 10.13041       0.9445466 0.8263512      2.050909  
1 1 1 21  13 2  o 85.62245 1.417335  73.50987       2.427086  73.55073       3.424866  73.46867       3.440020  0.4894257E-01  2.834669  
1 1 1 21  13 3  o 50.31382 1.053867  25.33447       1.059902  24.80292       1.469728  25.91046       1.529940  -1.097534      2.107734  
1 1 1 21  13 4  o 58.18288 1.114886  33.88176       1.296216  33.21728       1.789491  34.61525       1.880119  -1.196251      2.229772  
1 1 1 21  13 5  o 37.32059 1.010984  13.95128       0.7544551 14.27442       1.066801  13.62794       1.067120  0.8661308      2.021968  
1 1 1 21  13 6  o 46.81550 1.029933  21.95470       0.9641681 22.42813       1.363566  21.48132       1.363513  1.011215       2.059866  
1 1 1 21  13 7  f 67.50735 1.219548  45.47417       1.642494  48.63092       2.429387  42.81629       2.229180  4.293304       2.439096  
1 1 1 21  13 8  o 45.95854 1.043770  20.95483       0.9539787 19.30302       1.269271  23.09938       1.446246  -4.119774      2.087539  
1 1 1 21  13 9  o 36.80700 1.035545  13.46216       0.7578469 15.70233       1.124293  11.59672       1.025959  5.571171       2.071090  
1 1 1 21  13 10 o 53.62414 1.096854  28.63276       1.171757  26.79312       1.574235  30.91818       1.754634  -3.833500      2.193708  
1 1 1 21  13 11 o 23.91055 1.222476  5.745297       0.5828947 5.908576       0.8013873 5.561876       0.8493798 0.7290668      2.444952  
1 1 1 21  13 12 o 12.94808 1.925177  1.726899       0.4782201 1.575654       0.6261509 1.938619       0.7408325 -1.345591      3.850354  
1 1 1 21  13 13 o 67.47691 1.231516  45.66336       1.661779  45.17709       2.328241  46.16835       2.372609  -0.7305984     2.463033  
1 1 1 21  13 14 o 56.51445 2.439522  32.14920       2.757365  32.14920       2.757365  ?              ?         ?              ?         
1 1 1 21  13 15 o 76.45711 1.340443  58.69091       2.049292  58.11039       2.863391  59.30048       2.934177  -0.7703781     2.680887  
1 1 1 21  13 16 o 57.69962 1.147047  33.33870       1.321579  32.36550       1.809005  34.45263       1.935379  -1.795933      2.294095  
1 1 1 21  13 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  13 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  13 19 o 35.08395 1.541912  0.000000       0.000000  ?              ?         12.35242       1.081927  ?              ?         
1 1 1 21  13 20 o 68.99501 1.260221  47.83873       1.738873  47.78714       2.445046  47.89153       2.473477  -0.7169342E-01 2.520443  
1 1 1 21  13 21 o 20.69848 1.421377  4.365057       0.5804797 5.051486       0.8077754 3.632048       0.8347328 3.433290       2.842755  
1 1 1 21  13 22 o 71.94547 1.299549  52.06575       1.869847  52.60418       2.659615  51.53951       2.629370  0.7350082      2.599098  
1 1 1 21  13 23 o 44.32412 0.6396648 19.58303       0.5656816 21.15753       0.8352798 18.24907       0.7688338 3.275265       1.279330  
1 1 1 21  13 24 o 30.31264 0.5748966 9.165235       0.3477642 8.684609       0.4729873 9.730798       0.5130816 -1.722525      1.149793  
1 1 1 21  13 25 f 63.64230 0.7922384 40.60498       1.008386  40.86655       1.429165  40.34566       1.423003  0.4085350      1.584477  
1 1 1 21  13 26 o 50.83995 0.7020904 25.84156       0.7128192 24.88363       0.9760700 26.93632       1.043458  -2.011848      1.404181  
1 1 1 21  13 27 o 46.62122 0.6738545 21.76877       0.6280358 21.46411       0.8728569 22.09580       0.9043327 -0.6741714     1.347709  
1 1 1 21  13 28 o 51.21210 0.7078882 26.28404       0.7248325 26.03458       1.010864  26.54804       1.039888  -0.4977760     1.415776  
1 1 1 21  13 29 o 25.59340 1.321119  6.591029       0.6728433 5.722161       0.9277439 7.555151       0.9772754 -3.569494      2.642238  
1 1 1 21  13 30 f 30.64093 0.6292486 9.422804       0.3849422 9.958043       0.5406828 8.872628       0.5481756 1.772030       1.258497  
1 1 1 21  13 31 f 25.10473 0.6502892 6.256074       0.3246183 5.771055       0.4316175 6.887712       0.4925533 -2.216347      1.300578  
1 1 1 21  13 32 o 69.29298 0.8594234 48.13056       1.189606  46.55432       1.634207  49.90730       1.735031  -2.402061      1.718847  
1 1 1 21  13 33 o 20.88646 0.7053666 4.409923       0.2923598 4.816947       0.4026698 3.956153       0.4251650 2.064148       1.410733  
1 1 1 21  13 34 o 26.96675 0.6453496 7.279356       0.3477812 6.970451       0.4806833 7.618693       0.5038047 -1.198635      1.290699  
1 1 1 21  13 35 o 35.82092 0.6553741 12.79459       0.4681802 14.05446       0.6924089 11.73343       0.6354638 3.231068       1.310748  
1 1 1 21  13 36 o 13.69612 0.9596891 1.840660       0.2560812 1.692942       0.3221353 2.094288       0.4221054 -1.440931      1.919378  
1 1 1 21  13 37 f 21.25332 0.8212355 4.510452       0.3462537 4.333082       0.4575802 4.748083       0.5296379 -0.9618130     1.642471  
1 1 1 21  14 0  f 29.90514 1.043268  8.961598       0.6233661 9.442532       0.8831584 8.484103       0.8799955 1.602282       2.086536  
1 1 1 21  14 1  o 20.38059 1.233196  4.161720       0.5016174 4.145782       0.6869367 4.179929       0.7342088 -0.8078957E-01 2.466393  
1 1 1 21  14 2  o 20.64894 1.262160  4.331157       0.5115328 5.258597       0.7209106 3.390707       0.7259490 4.523296       2.524320  
1 1 1 21  14 3  o 93.54136 1.524670  87.80844       2.852377  88.01113       4.030069  87.60497       4.037680  0.2177277      3.049340  
1 1 1 21  14 4  o 18.19988 1.346638  3.290433       0.4873532 2.852551       0.6569701 3.826262       0.7267422 -2.669947      2.693276  
1 1 1 21  14 5  o 43.29698 1.020173  18.78169       0.8831094 19.32253       1.247885  18.23909       1.249929  1.251289       2.040346  
1 1 1 21  14 6  o 82.88797 1.395482  68.87536       2.312115  67.59451       3.206858  70.26199       3.336651  -1.598671      2.790963  
1 1 1 21  14 7  o 63.16167 1.178740  39.84359       1.485174  38.07418       2.014262  41.95154       2.198521  -3.056183      2.357480  
1 1 1 21  14 8  o 61.96731 1.173274  38.48477       1.453841  39.41682       2.076715  37.58893       2.035974  1.471748       2.346547  
1 1 1 21  14 9  o 121.2361 1.904468  147.6719       4.608448  142.7032       6.282145  153.4612       6.781072  -4.370583      3.808936  
1 1 1 21  14 10 o 20.98116 1.354265  4.414070       0.5675818 4.341251       0.7808458 4.495644       0.8264586 -0.3635998     2.708531  
1 1 1 21  14 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  14 12 o 8.114012 2.151561  0.4945665      0.4738414 0.6116270      0.6243191 0.3355147      0.7277306 0.5159883      4.303122  
1 1 1 21  14 13 f 29.91811 1.125576  8.950127       0.6722398 8.550504       0.9169831 9.414431       0.9884116 -1.437220      2.251151  
1 1 1 21  14 14 o 42.91656 1.079450  18.47732       0.9259022 18.68514       1.290281  18.25669       1.329444  0.5027847      2.158901  
1 1 1 21  14 15 f 33.08231 1.098058  11.01673       0.7239726 11.71976       1.005889  10.26115       1.042813  2.208214       2.196117  
1 1 1 21  14 16 o 65.44412 1.221696  42.74101       1.592146  40.28709       2.134332  45.81981       2.390680  -4.195972      2.443391  
1 1 1 21  14 17 o 36.57881 1.070809  13.42654       0.7830532 13.46859       1.092715  13.38215       1.122703  0.1215019      2.141619  
1 1 1 21  14 18 o 12.65021 2.100935  1.685609       0.5185741 1.690654       0.6835244 1.678767       0.7960097 0.6840229E-01  4.201869  
1 1 1 21  14 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  14 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  14 21 o 49.76923 1.131767  24.87893       1.125747  24.75544       1.561176  25.01269       1.624822  -0.2492752     2.263534  
1 1 1 21  14 22 o 25.21218 1.318590  6.435123       0.6605181 6.824543       0.9023625 5.985628       0.9694709 1.675503       2.637181  
1 1 1 21  14 23 o 50.99802 1.141415  25.85826       1.157722  23.39021       1.542650  29.04069       1.751742  -5.507267      2.282831  
1 1 1 21  14 24 o 43.02461 1.127949  18.60777       0.9694116 19.83677       1.381607  17.41596       1.360545  2.809887       2.255898  
1 1 1 21  14 25 o 52.68040 0.7066550 27.69594       0.7426549 26.26977       1.007391  29.39373       1.099142  -2.955498      1.413310  
1 1 1 21  14 26 o 36.51977 0.6109840 13.35447       0.4461052 13.19436       0.6213298 13.52481       0.6409014 -0.4505463     1.221968  
1 1 1 21  14 27 o 13.00027 2.169653  1.792803       0.5907555 2.542257       0.8222557 0.9932207      0.8493099 5.628462       4.339306  
1 1 1 21  14 28 o 32.57141 0.6141851 10.63479       0.3998742 10.90163       0.5612256 10.35965       0.5698888 0.8329277      1.228370  
1 1 1 21  14 29 o 35.92687 0.6296566 12.88942       0.4513786 12.32174       0.6133791 13.55994       0.6666324 -1.717194      1.259313  
1 1 1 21  14 30 o 27.68816 1.334905  7.741400       0.7389559 7.477702       1.041785  8.008421       1.048329  -0.9567051     2.669810  
1 1 1 21  14 31 o 56.16782 0.7545682 31.56335       0.8461008 30.28538       1.154770  33.04468       1.243259  -2.442932      1.509136  
1 1 1 21  14 32 o 63.21840 0.8105818 40.12460       1.024808  40.67520       1.458674  39.58793       1.440099  0.8566055      1.621164  
1 1 1 21  14 33 o 39.23253 0.6669405 15.40589       0.5225497 14.93480       0.7160316 15.94268       0.7643238 -1.277393      1.333881  
1 1 1 21  14 34 o 37.31747 0.6534351 13.96123       0.4876167 14.17752       0.6970763 13.75397       0.6823478 0.5652657      1.306870  
1 1 1 21  14 35 o 23.20524 0.6762804 5.406220       0.3136121 5.529179       0.4381144 5.277008       0.4491194 0.5452232      1.352561  
1 1 1 21  14 36 o 34.71489 0.7121982 12.16972       0.4911632 13.02604       0.6731890 11.19501       0.7182146 2.645016       1.424396  
1 1 1 21  15 0  o 50.69841 1.079402  25.72545       1.093768  25.12127       1.513981  26.38506       1.581895  -1.242401      2.158803  
1 1 1 21  15 1  o 44.78615 1.044386  20.00059       0.9330361 22.08933       1.369098  18.18923       1.274951  4.348736       2.088771  
1 1 1 21  15 2  o 41.25442 1.044609  16.99408       0.8601887 16.21212       1.172225  17.90640       1.266181  -2.047955      2.089218  
1 1 1 21  15 3  o 37.62631 1.038287  14.18601       0.7794352 15.51075       1.113485  12.91326       1.091421  3.450382       2.076573  
1 1 1 21  15 4  o 11.34586 2.068497  1.326231       0.4754788 1.060848       0.6459670 1.640037       0.7024335 -2.339832      4.136994  
1 1 1 21  15 5  o 50.85855 1.087820  25.90404       1.106010  26.99799       1.585436  24.86697       1.543669  2.092125       2.175641  
1 1 1 21  15 6  o 75.18787 1.330334  56.70338       1.999390  56.09713       2.775499  57.35737       2.882675  -0.8283234     2.660668  
1 1 1 21  15 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  15 8  o 111.7945 1.782114  125.5475       3.978994  121.8833       5.455823  129.7110       5.815697  -3.456032      3.564228  
1 1 1 21  15 9  o 23.89230 1.242875  5.718350       0.5905102 5.653125       0.7917371 5.800120       0.8864874 -0.2991524     2.485750  
1 1 1 21  15 10 o 96.27647 1.578323  92.79494       3.028528  88.66969       4.083313  97.83888       4.515142  -4.709114      3.156646  
1 1 1 21  15 11 o 78.57358 1.367738  62.00512       2.149313  62.58680       3.045859  61.42821       3.033354  0.7358627      2.735475  
1 1 1 21  15 12 o 61.07837 1.183664  37.18137       1.439175  34.98484       1.925470  39.96189       2.166362  -4.049973      2.367329  
1 1 1 21  15 13 o 53.58011 1.124451  28.79021       1.204633  29.75513       1.720409  27.86208       1.687290  1.763203       2.248903  
1 1 1 21  15 14 o 12.81848 1.959852  1.770779       0.5157016 2.672155       0.7154604 0.7960537      0.7440011 6.948636       3.919705  
1 1 1 21  15 15 o 77.68089 1.359159  60.61375       2.109990  59.33662       2.916287  62.01674       3.056608  -1.705368      2.718317  
1 1 1 21  15 16 o 32.14761 1.134192  10.39085       0.7270777 11.35042       1.031102  9.441845       1.025408  2.967779       2.268383  
1 1 1 21  15 17 o 49.63459 1.120130  24.66066       1.110118  23.50110       1.517707  25.99484       1.627974  -2.498489      2.240260  
1 1 1 21  15 18 o 33.85926 1.144450  11.52183       0.7744521 11.81635       1.084591  11.21546       1.106211  0.8902092      2.288900  
1 1 1 21  15 19 o 69.69012 1.288677  48.68562       1.792790  51.53490       2.635933  46.23309       2.445534  3.773651       2.577354  
1 1 1 21  15 20 o 25.67776 1.802433  6.632936       0.9256492 6.632936       0.9256492 ?              ?         ?              ?         
1 1 1 21  15 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  15 22 o 37.63912 1.696947  0.000000       0.000000  ?              ?         14.24675       1.277432  ?              ?         
1 1 1 21  15 23 o 53.27701 1.178034  28.43679       1.252820  30.71551       1.837307  26.45656       1.712752  3.975658       2.356069  
1 1 1 21  15 24 o 7.126051 2.138848  -0.1088630E-01 0.5432061 0.2845373      0.7262486 -0.3860366     0.8183994 1.086095       4.277696  
1 1 1 21  15 25 o 36.14916 1.162801  13.14001       0.8393542 14.18639       1.203398  12.14868       1.171305  2.812485       2.325602  
1 1 1 21  15 26 o 56.96196 1.213342  32.56942       1.379869  34.78632       2.023813  30.64356       1.886295  3.607342       2.426684  
1 1 1 21  15 27 o 26.71657 0.5684488 7.149135       0.3036481 7.144357       0.4241697 7.154157       0.4348769 -0.1726723E-01 1.136898  
1 1 1 21  15 28 o 48.50682 0.6928920 23.58598       0.6721608 23.94460       0.9535889 23.23186       0.9475970 0.7339287      1.385784  
1 1 1 21  15 29 o 32.94795 0.6194205 10.87880       0.4077463 10.88454       0.5639874 10.87252       0.5901849 0.2139282E-01  1.238841  
1 1 1 21  15 30 o 31.25626 0.6193439 9.805091       0.3865869 10.28307       0.5421112 9.310518       0.5514411 1.556929       1.238688  
1 1 1 21  15 31 o 39.60000 0.6570729 15.72226       0.5203621 15.99471       0.7399176 15.45565       0.7319534 0.6794662      1.314146  
1 1 1 21  15 32 o 11.33688 0.9240589 1.225509       0.2030962 0.8951280      0.2582162 1.761446       0.3288767 -3.806534      1.848118  
1 1 1 21  15 33 o 40.48495 0.6678488 16.42945       0.5402418 16.24662       0.7460934 16.63098       0.7832984 -0.4689331     1.335698  
1 1 1 21  15 34 o 15.52011 0.7927923 2.434748       0.2439322 2.558492       0.3293051 2.284293       0.3631118 0.8900652      1.585585  
1 1 1 21  15 35 o 37.51189 1.073714  14.34341       0.7015041 13.85386       1.376938  14.51502       0.8152376 -1.022797      2.147428  
1 1 1 21  16 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  16 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  16 2  o 65.01321 1.230611  42.31369       1.598216  40.94490       2.195911  43.85545       2.330529  -2.227413      2.461223  
1 1 1 21  16 3  o 35.42778 1.093700  12.58251       0.7743207 12.62726       1.074709  12.53420       1.116601  0.1345139      2.187401  
1 1 1 21  16 4  o 30.43002 1.132045  9.268272       0.6877020 9.047783       0.9400238 9.522167       1.008721  -0.7740021     2.264090  
1 1 1 21  16 5  o 91.57325 1.520103  84.02158       2.778206  81.05400       3.784771  87.48885       4.091030  -3.480896      3.040205  
1 1 1 21  16 6  o 31.68816 1.128554  10.11338       0.7077450 11.94329       1.010370  8.350478       0.9916962 5.667536       2.257107  
1 1 1 21  16 7  o 76.42094 1.341737  58.01273       2.034139  54.12079       2.679092  63.31034       3.125682  -5.967438      2.683474  
1 1 1 21  16 8  f 39.73238 1.077534  15.81147       0.8537017 15.62059       1.160055  16.03697       1.260869  -0.5153008     2.155068  
1 1 1 21  16 9  o 60.15946 1.176663  35.87918       1.404744  33.03925       1.851161  39.73476       2.156926  -5.534851      2.353325  
1 1 1 21  16 10 o 18.27425 1.562690  3.401718       0.5636142 3.886317       0.7793030 2.870260       0.8161122 2.784924       3.125381  
1 1 1 21  16 11 o 39.97704 1.086390  15.71268       0.8585287 14.02100       1.115176  18.17424       1.345207  -5.171757      2.172781  
1 1 1 21  16 12 o 69.79202 1.276253  48.91838       1.780955  48.53028       2.485559  49.32785       2.553101  -0.5629807     2.552507  
1 1 1 21  16 13 o 55.61002 1.154513  30.54951       1.270652  27.79869       1.657385  34.47169       1.979045  -5.961430      2.309027  
1 1 1 21  16 14 o 41.48682 1.118693  17.12746       0.9224055 16.03127       1.224252  18.56686       1.402872  -3.034855      2.237385  
1 1 1 21  16 15 o 64.13054 1.233060  40.84342       1.569932  37.57514       2.072527  45.24357       2.404775  -5.934097      2.466120  
1 1 1 21  16 16 f 68.47887 1.279495  46.98113       1.748041  44.96560       2.373041  49.37226       2.584707  -3.186417      2.558990  
1 1 1 21  16 17 o 64.76871 1.244544  42.12719       1.610866  41.11272       2.225029  43.24459       2.335180  -1.629204      2.489088  
1 1 1 21  16 18 o 41.24573 1.127967  17.10012       0.9284918 17.25022       1.275317  16.93082       1.354422  0.3985634      2.255934  
1 1 1 21  16 19 o 31.46362 1.200632  9.955189       0.7544114 9.984653       1.039949  9.922462       1.096058  0.1078262      2.401264  
1 1 1 21  16 20 o 63.41650 1.245407  40.43835       1.579221  41.42068       2.262234  39.50464       2.205555  1.501057       2.490813  
1 1 1 21  16 21 o 67.92310 1.287012  46.44045       1.748314  46.89874       2.478850  45.98684       2.466178  0.6689682      2.574024  
1 1 1 21  16 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  16 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  16 24 o 32.24039 1.275500  10.47129       0.8217363 10.41295       1.137203  10.53503       1.188730  -0.1784096     2.550999  
1 1 1 21  16 25 o 13.30407 2.199054  1.924502       0.6250007 2.858643       0.8496920 0.8232538      0.9225672 6.940623       4.398108  
1 1 1 21  16 26 o 31.93848 1.263497  10.28684       0.8050972 11.23033       1.148437  9.375064       1.128971  2.900108       2.526994  
1 1 1 21  16 27 o 25.10795 1.461821  6.409686       0.7273656 7.406351       1.029776  5.417368       1.027528  3.960266       2.923642  
1 1 1 21  16 28 o 20.18844 1.727374  4.186568       0.6837960 5.163615       0.9726998 3.231960       0.9614652 4.780327       3.454748  
1 1 1 21  16 29 o 17.44739 0.5869552 3.021012       0.2038303 2.730827       0.2729197 3.387038       0.3065156 -1.876560      1.173910  
1 1 1 21  16 30 o 28.67480 0.6012775 8.243609       0.3446701 8.536394       0.4875861 7.951185       0.4872884 1.020386       1.202555  
1 1 1 21  16 31 o 30.45912 0.6192501 9.296804       0.3769834 9.221073       0.5227014 9.378900       0.5442196 -0.2561359     1.238500  
1 1 1 21  16 32 o 19.53139 0.6619921 3.791879       0.2572839 3.496613       0.3433932 4.169755       0.3884712 -1.716276      1.323984  
1 1 1 21  16 33 o 20.82719 1.797079  4.428080       0.7477342 4.705466       1.085245  4.177391       1.031698  1.243521       3.594157  
1 1 1 21  16 34 f 29.97243 1.442051  9.091488       0.8620813 8.844899       1.170324  9.384018       1.274685  -0.8626461     2.884102  
1 1 1 21  17 0  o 40.61682 1.077795  16.53576       0.8747489 16.54547       1.211938  16.52519       1.263858  0.2889252E-01  2.155589  
1 1 1 21  17 1  f 66.25704 1.233788  43.88757       1.630920  42.08791       2.214449  46.02088       2.411006  -2.950974      2.467577  
1 1 1 21  17 2  o 47.18773 1.092056  22.30125       1.030170  23.20376       1.479975  21.45296       1.434834  1.851662       2.184113  
1 1 1 21  17 3  o 41.06104 1.070687  16.61850       0.8705623 14.97712       1.137523  18.93898       1.352525  -4.807575      2.141373  
1 1 1 21  17 4  o 55.51284 1.150794  30.90797       1.277428  31.06452       1.791569  30.74607       1.821925  0.2895050      2.301588  
1 1 1 21  17 5  o 94.42812 1.559933  89.07166       2.930671  84.26034       3.911620  95.22840       4.424864  -5.743301      3.119866  
1 1 1 21  17 6  o 88.06200 1.481608  77.87622       2.607310  76.27325       3.601115  79.64236       3.779969  -1.890938      2.963216  
1 1 1 21  17 7  o 38.17373 1.103733  14.63812       0.8411228 15.10178       1.166814  14.13650       1.213621  1.268730       2.207466  
1 1 1 21  17 8  o 47.64165 1.110969  22.62523       1.054420  21.22561       1.416564  24.36418       1.578972  -3.277882      2.221937  
1 1 1 21  17 9  o 12.54545 2.086581  1.686726       0.5348286 2.163690       0.7128385 1.072438       0.8089737 4.212974       4.173162  
1 1 1 21  17 10 o 30.32628 1.185002  8.968038       0.7078159 7.283914       0.9198050 11.41343       1.108365  -6.786160      2.370005  
1 1 1 21  17 11 o 39.21453 1.124145  15.41592       0.8807616 15.03721       1.213216  15.83792       1.280691  -1.013058      2.248290  
1 1 1 21  17 12 o 31.31985 1.172268  9.867812       0.7323434 10.68272       1.034758  9.049959       1.036624  2.606827       2.344536  
1 1 1 21  17 13 f 45.70630 1.117692  20.97292       1.021632  21.14803       1.440001  20.79545       1.449658  0.3868828      2.235384  
1 1 1 21  17 14 f 26.43384 1.324600  7.079885       0.6813431 9.260013       0.9875764 5.099608       0.9412233 7.862602       2.649199  
1 1 1 21  17 15 o 34.67484 1.167008  12.09624       0.8070117 13.20652       1.145366  11.00165       1.137251  3.178223       2.334016  
1 1 1 21  17 16 o 12.29022 2.202651  1.435593       0.5629037 0.7607308      0.7190411 2.503927       0.9046900 -6.302624      4.405303  
1 1 1 21  17 17 o 34.13650 1.199091  11.74353       0.8164449 12.60696       1.147053  10.85690       1.162354  2.565742       2.398182  
1 1 1 21  17 18 o 29.45333 1.246031  8.727766       0.7316223 8.740028       0.9959185 8.713388       1.078328  0.5915451E-01  2.492062  
1 1 1 21  17 19 o 18.61755 1.687264  3.585670       0.6124377 4.311737       0.8443499 2.779586       0.8896610 4.125177       3.374529  
1 1 1 21  17 20 o 23.81486 1.389030  5.670958       0.6567314 5.364819       0.8685696 6.079593       1.003489  -1.473412      2.778060  
1 1 1 21  17 21 o 7.339245 2.216663  -0.1015903     0.5702871 -0.3710237     0.7279334 0.3265700      0.9176332 -2.352073      4.433326  
1 1 1 21  17 22 o 40.54733 1.192980  16.56026       0.9646522 16.74909       1.319455  16.34343       1.413884  0.5180473      2.385960  
1 1 1 21  17 23 o 37.45857 1.608839  15.17131       1.093767  16.98297       1.347075  11.66592       1.873794  7.235119       3.217677  
1 1 1 21  17 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  17 25 o 49.13355 2.476180  0.000000       0.000000  ?              ?         24.51353       2.433270  ?              ?         
1 1 1 21  17 26 o 27.04585 1.409720  7.395749       0.7597986 7.438879       1.033486  7.345018       1.120859  0.1965981      2.819441  
1 1 1 21  17 27 o 39.30336 1.237852  15.52835       0.9710059 16.98801       1.416258  14.23359       1.333862  3.483799       2.475704  
1 1 1 21  17 28 o 14.84364 2.269082  2.349497       0.6773955 3.317211       0.9648796 1.408968       0.9512300 6.363316       4.538164  
1 1 1 21  17 29 o 23.99900 1.573759  5.848656       0.7552810 5.787198       1.058125  5.912492       1.078421  -0.2539024     3.147518  
1 1 1 21  17 30 o 10.49823 2.428893  0.9245957      0.6630702 1.867161       0.9473878 0.1953600E-01  0.9283479 5.356995       4.857786  
1 1 1 21  17 31 o 20.51231 0.5902656 4.176062       0.2409565 3.772147       0.3223804 4.687327       0.3626998 -2.225199      1.180531  
1 1 1 21  17 32 o 25.29140 1.529675  6.504861       0.7720093 5.950955       1.081756  7.079799       1.102101  -2.223835      3.059351  
1 1 1 21  17 33 o 19.03463 4.417690  4.004905       1.650788  4.004905       1.650788  ?              ?         ?              ?         
1 1 1 21  18 0  o 67.43272 1.251760  45.63026       1.687992  45.62587       2.369018  45.63477       2.405770  -0.2975464E-02 2.503520  
1 1 1 21  18 1  o 55.41109 1.143181  30.79419       1.266648  31.63737       1.799136  29.96552       1.783587  1.507153       2.286361  
1 1 1 21  18 2  o 94.48744 1.563030  89.78271       2.953618  90.64773       4.199192  88.93571       4.155248  0.9002609      3.126060  
1 1 1 21  18 3  o 72.21985 1.306940  52.37284       1.887624  52.68240       2.659842  52.05876       2.679270  0.4339142      2.613880  
1 1 1 21  18 4  o 72.87509 1.322271  53.22135       1.924195  51.39925       2.633353  55.30869       2.818520  -2.661018      2.644543  
1 1 1 21  18 5  o 96.95673 1.604015  94.57815       3.109128  93.15438       4.323768  96.10259       4.474024  -1.498642      3.208030  
1 1 1 21  18 6  o 36.84904 1.140482  13.63835       0.8392127 14.53126       1.188063  12.74914       1.185593  2.417858       2.280965  
1 1 1 21  18 7  o 45.91416 1.140268  21.05352       1.043720  19.91277       1.408705  22.44183       1.554062  -2.737606      2.280536  
1 1 1 21  18 8  o 74.65938 1.342176  56.02363       2.003933  56.97955       2.855739  55.09629       2.812730  1.255257       2.684352  
1 1 1 21  18 9  f 16.51230 1.889327  2.839095       0.5989021 3.290050       0.8283270 2.345114       0.8669429 3.111774       3.778653  
1 1 1 21  18 10 o 83.28958 1.445831  69.80795       2.408297  69.57273       3.384278  70.04926       3.427832  -0.2793274     2.891661  
1 1 1 21  18 11 o 51.81263 1.158498  26.92281       1.199504  28.47823       1.729614  25.48154       1.664943  2.883507       2.316996  
1 1 1 21  18 12 o 96.18468 1.601401  93.27621       3.080016  92.34022       4.306005  94.25678       4.407366  -0.9774017     3.202802  
1 1 1 21  18 13 f 26.38413 1.322359  6.994990       0.6945933 6.920913       0.9362561 7.085673       1.035889  -0.2962494     2.644718  
1 1 1 21  18 14 o 44.85362 1.159229  20.13195       1.037177  19.10929       1.405829  21.35345       1.536438  -2.482388      2.318458  
1 1 1 21  18 15 o 46.88833 1.163584  22.00246       1.087173  21.06320       1.464491  23.15552       1.622633  -2.206760      2.327169  
1 1 1 21  18 16 f 37.02672 1.179783  13.74559       0.8717593 13.25079       1.186603  14.32584       1.284972  -1.435978      2.359566  
1 1 1 21  18 17 o 54.98813 1.199104  30.33586       1.317016  32.49401       1.912462  28.38921       1.816338  3.716507       2.398208  
1 1 1 21  18 18 o 46.83345 1.176575  22.08413       1.100110  23.58099       1.555278  20.58529       1.556304  3.198421       2.353149  
1 1 1 21  18 19 o 36.69742 1.222083  13.59328       0.8933175 14.14339       1.225619  12.96982       1.304777  1.613140       2.444165  
1 1 1 21  18 20 o 30.24417 1.297737  9.288693       0.7783287 10.05924       1.065028  8.405436       1.140266  2.749033       2.595474  
1 1 1 21  18 21 o 9.882618 2.432723  0.7504089      0.6092154 0.2668707      0.7881160 1.468304       0.9602963 -4.048290      4.865447  
1 1 1 21  18 22 o 59.10685 1.252122  35.19143       1.479487  36.74150       2.115631  33.70786       2.069746  2.556137       2.504244  
1 1 1 21  18 23 o 41.84021 1.233232  17.65202       1.031172  18.28142       1.449916  17.00786       1.466826  1.525616       2.466463  
1 1 1 21  18 24 o 59.41944 1.270756  35.59568       1.509696  36.81095       2.147626  34.40850       2.122660  2.015839       2.541512  
1 1 1 21  18 25 o 46.22720 2.719673  21.80254       2.514457  21.80254       2.514457  ?              ?         ?              ?         
1 1 1 21  18 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  18 27 o 12.30475 2.550060  1.530191       0.6938382 0.9277734      0.9374570 2.259935       1.031782  -4.334621      5.100119  
1 1 1 21  18 28 o 21.06069 1.791945  4.498953       0.7517964 4.250763       1.009982  4.807344       1.125829  -1.275429      3.583890  
1 1 1 21  18 29 o 11.61781 2.655618  1.378336       0.6986438 1.315391       0.9344390 1.458123       1.052047  -0.5924587     5.311237  
1 1 1 21  18 30 o 20.55839 1.874259  4.316872       0.7695555 4.029183       1.060633  4.636686       1.118286  -1.451475      3.748518  
1 1 1 21  18 31 o 19.69044 2.475782  4.106009       0.8913190 4.095837       1.086634  4.126929       1.558264  0.5753822      4.951564  
1 1 1 21  18 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  19 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  19 1  o 76.76385 1.945185  0.000000       0.000000  ?              ?         59.21650       2.986398  ?              ?         
1 1 1 21  19 2  o 87.25288 1.485031  76.56677       2.591196  77.80937       3.695976  75.36561       3.633822  1.391609       2.970062  
1 1 1 21  19 3  o 58.72045 1.189315  34.62567       1.396256  34.98409       1.955189  34.25265       1.994609  0.6274605      2.378631  
1 1 1 21  19 4  o 43.84821 1.132448  19.27045       0.9917263 18.80835       1.360684  19.79409       1.448452  -1.113865      2.264897  
1 1 1 21  19 5  o 70.35051 1.301064  49.74228       1.830187  49.90345       2.563232  49.57466       2.614068  0.2405701      2.602127  
1 1 1 21  19 6  o 18.92180 1.601929  3.607384       0.6004318 3.605458       0.7960823 3.609925       0.9144470 0.8104324E-02  3.203858  
1 1 1 21  19 7  o 88.66096 1.513471  79.13274       2.682912  78.32443       3.741179  79.98855       3.849563  -0.9208679     3.026943  
1 1 1 21  19 8  o 34.24797 1.197009  11.76418       0.8187981 11.45873       1.123741  12.10988       1.195498  -0.9411011     2.394017  
1 1 1 21  19 9  o 24.48208 1.398784  5.945921       0.6799750 5.257718       0.9003882 6.859420       1.037350  -3.249079      2.797568  
1 1 1 21  19 10 o 22.88533 1.493816  5.312713       0.6780996 6.013731       0.9509259 4.587440       0.9672376 3.119059       2.987632  
1 1 1 21  19 11 o 13.90082 2.108756  2.054975       0.5757936 2.402696       0.7704789 1.615131       0.8665516 3.030747       4.217513  
1 1 1 21  19 12 o 36.10003 1.201161  12.96722       0.8627898 11.57573       1.155488  14.72065       1.297089  -4.333809      2.402322  
1 1 1 21  19 13 o 74.28818 1.363173  55.57586       2.025241  55.56075       2.849085  55.59127       2.879402  -0.1500702E-01 2.726345  
1 1 1 21  19 14 o 56.69849 1.211925  31.99028       1.365278  29.50376       1.808639  35.28396       2.081596  -5.052280      2.423851  
1 1 1 21  19 15 o 70.29080 1.327461  49.59259       1.861655  47.60766       2.528761  51.94137       2.750787  -3.041679      2.654923  
1 1 1 21  19 16 o 58.21028 1.236825  34.06159       1.438297  33.39502       1.979964  34.80632       2.092846  -1.192001      2.473649  
1 1 1 21  19 17 o 29.24439 1.332792  8.600771       0.7770953 8.439158       1.053730  8.793467       1.150606  -0.5868416     2.665583  
1 1 1 21  19 18 o 57.82611 1.240642  33.66345       1.434453  33.74755       2.007143  33.57566       2.050806  0.1569138      2.481285  
1 1 1 21  19 19 o 35.37148 1.280380  12.66762       0.8964863 14.89797       1.277852  10.50595       1.258026  6.204258       2.560760  
1 1 1 21  19 20 o 33.83960 1.310286  11.65233       0.8776167 12.51346       1.188823  10.62097       1.301027  2.821831       2.620573  
1 1 1 21  19 21 o 51.37805 1.232778  26.52945       1.263903  25.64913       1.720027  27.56268       1.863429  -1.831032      2.465555  
1 1 1 21  19 22 o 12.92351 2.422324  1.768723       0.6324580 1.673606       0.8413894 1.892279       0.9589601 -0.7720890     4.844649  
1 1 1 21  19 23 o 27.78392 1.404518  7.793460       0.7773573 7.719472       1.051261  7.882724       1.154704  -0.2663536     2.809035  
1 1 1 21  19 24 o 67.32901 1.348906  45.76448       1.815248  44.97491       2.514466  46.62389       2.623289  -1.195396      2.697811  
1 1 1 21  19 25 o 8.173291 2.421568  0.1300773      0.6741948 0.4183000      0.9032222 -0.2325538     1.013125  0.9579167      4.843136  
1 1 1 21  19 26 o 40.40409 1.781860  16.48883       1.439889  16.48883       1.439889  ?              ?         ?              ?         
1 1 1 21  19 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  19 28 o 11.01379 3.826512  0.000000       0.000000  ?              ?         1.167177       1.033205  ?              ?         
1 1 1 21  19 29 o 43.12386 2.367946  18.96384       2.042299  18.96384       2.042299  ?              ?         ?              ?         
1 1 1 21  19 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  19 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  20 0  o 37.10126 1.630021  13.81892       1.209517  13.81892       1.209517  ?              ?         ?              ?         
1 1 1 21  20 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  20 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  20 3  o 118.3460 3.930569  0.000000       0.000000  ?              ?         143.3470       9.303341  ?              ?         
1 1 1 21  20 4  f 11.31750 2.383283  1.322982       0.5783297 1.358223       0.7799787 1.279949       0.8619083 0.1967554      4.766566  
1 1 1 21  20 5  o 73.45779 1.352903  54.27370       1.987230  54.07941       2.780524  54.47658       2.841193  -0.2610168     2.705807  
1 1 1 21  20 6  o 39.46082 1.172090  15.43095       0.9186749 13.73539       1.217429  17.67330       1.400031  -4.964603      2.344181  
1 1 1 21  20 7  o 10.51475 2.169715  1.061851       0.5661842 1.911340       0.7664534 0.4150623E-01  0.8400022 5.909598       4.339430  
1 1 1 21  20 8  o 10.59918 2.397181  1.113115       0.5919053 1.464227       0.8061973 0.7025287      0.8718083 2.427185       4.794361  
1 1 1 21  20 9  o 20.02962 1.641765  4.047567       0.6563359 3.994382       0.8973677 4.108747       0.9624439 -0.2716980     3.283530  
1 1 1 21  20 10 o 21.27064 1.572548  4.533817       0.6664176 4.189145       0.8961199 4.960302       0.9968153 -1.791630      3.145096  
1 1 1 21  20 11 o 63.13060 1.273223  40.10330       1.606951  40.13377       2.241814  40.07110       2.304631  0.6047440E-01  2.546446  
1 1 1 21  20 12 o 24.45935 1.448937  5.960783       0.7037536 5.463816       0.9298739 6.627092       1.076709  -2.348778      2.897873  
1 1 1 21  20 13 o 40.23166 1.206856  16.28679       0.9666926 18.36988       1.386457  14.31604       1.348550  5.031673       2.413712  
1 1 1 21  20 14 o 24.52145 1.460419  5.990744       0.7116686 5.371982       0.9448245 6.802156       1.081959  -2.886936      2.920838  
1 1 1 21  20 15 f 38.27953 1.236449  14.80546       0.9404475 16.77177       1.331861  12.85014       1.328134  5.121693       2.472898  
1 1 1 21  20 16 o 53.09897 1.229611  28.27467       1.301473  27.14835       1.757153  29.64348       1.937098  -2.315189      2.459223  
1 1 1 21  20 17 o 37.52613 1.257046  14.21050       0.9418424 14.80029       1.313753  13.58684       1.350959  1.624607       2.514092  
1 1 1 21  20 18 o 32.29480 1.317431  10.54646       0.8485359 11.03438       1.175679  10.01595       1.225919  1.588354       2.634861  
1 1 1 21  20 19 o 8.044193 2.367743  0.1749816      0.6230193 0.1409528      0.8169622 0.2222770      0.9631370 -0.7634096     4.735485  
1 1 1 21  20 20 o 41.20553 1.243301  17.08151       1.021864  16.72395       1.388888  17.50349       1.508820  -0.9193153     2.486601  
1 1 1 21  20 21 o 37.73897 1.294510  14.38489       0.9725298 14.54815       1.317847  14.18966       1.441137  0.5047264      2.589020  
1 1 1 21  20 22 o 37.88424 1.289583  14.46008       0.9737411 14.19205       1.318143  14.78206       1.444697  -0.7464905     2.579165  
1 1 1 21  20 23 o 27.19039 1.526809  7.550879       0.8232432 8.169940       1.126360  6.840919       1.206222  2.468325       3.053619  
1 1 1 21  20 24 o 56.06656 1.290363  31.74604       1.445774  31.40520       2.000571  32.11864       2.091743  -0.6103172     2.580725  
1 1 1 21  20 25 o 39.45068 1.334219  15.76690       1.050464  16.74759       1.474460  14.75605       1.496956  2.530693       2.668439  
1 1 1 21  20 26 o 10.57942 2.499573  0.9918787      0.6947693 1.786471       0.9427962 0.4753961E-01  1.027802  4.638012       4.999147  
1 1 1 21  20 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  20 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  20 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  21 0  o 72.66626 1.341561  53.08088       1.948684  52.24984       2.704088  53.97875       2.810715  -1.173294      2.683121  
1 1 1 21  21 1  o 68.04313 1.299650  46.55795       1.768560  46.81417       2.493464  46.29856       2.508850  0.3812103      2.599299  
1 1 1 21  21 2  f 19.10888 1.647301  3.648346       0.6256464 3.142731       0.8426080 4.269635       0.9340334 -2.930798      3.294603  
1 1 1 21  21 3  o 23.16752 2.007531  5.404499       0.9301903 5.404499       0.9301903 ?              ?         ?              ?         
1 1 1 21  21 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  21 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  21 6  o 56.35329 1.781788  0.000000       0.000000  ?              ?         31.94441       2.008193  ?              ?         
1 1 1 21  21 7  o 25.71453 1.404180  6.686367       0.7192375 7.038131       0.9915150 6.295709       1.044894  1.453625       2.808360  
1 1 1 21  21 8  o 13.51777 2.322801  1.972329       0.6233959 2.252018       0.8296108 1.609572       0.9448102 2.236881       4.645602  
1 1 1 21  21 9  o 10.89051 2.398756  1.185986       0.6178505 1.722216       0.8295050 0.5177709      0.9259791 3.718027       4.797513  
1 1 1 21  21 10 o 36.03117 1.253847  13.11213       0.9001650 13.96635       1.249781  12.19127       1.297617  2.471706       2.507694  
1 1 1 21  21 11 o 40.13059 1.209032  16.22688       0.9688136 17.03184       1.357616  15.39159       1.382954  2.048088       2.418064  
1 1 1 21  21 12 o 58.61451 1.254930  34.59347       1.470336  35.02657       2.053608  34.13794       2.106125  0.7676888      2.509861  
1 1 1 21  21 13 f 29.89481 1.347068  8.979029       0.7994568 8.791163       1.062804  9.223861       1.213287  -0.6931763     2.694136  
1 1 1 21  21 14 o 29.68124 1.413965  8.934089       0.8348786 9.772271       1.164601  8.047915       1.197478  2.912210       2.827930  
1 1 1 21  21 15 o 45.54640 1.212760  20.86606       1.103211  20.42327       1.514484  21.36663       1.610269  -1.015755      2.425520  
1 1 1 21  21 16 o 29.43829 1.380197  8.725949       0.8094042 8.509810       1.091388  8.990133       1.206605  -0.7878513     2.760394  
1 1 1 21  21 17 o 12.64561 2.357831  1.744011       0.6546988 2.528481       0.8755667 0.7491567      0.9860093 5.699021       4.715662  
1 1 1 21  21 18 o 24.83754 1.477202  6.222428       0.7309217 6.078064       0.9859824 6.398549       1.089043  -0.6179085     2.954404  
1 1 1 21  21 19 o 9.930491 2.374668  0.7118196      0.6746261 1.718939       0.9023323 -0.5646546     1.015856  5.538189       4.749337  
1 1 1 21  21 20 o 43.70437 1.254091  19.26556       1.094689  19.21491       1.508390  19.32193       1.591172  -0.1019478     2.508183  
1 1 1 21  21 21 o 16.74697 2.248680  2.962484       0.7228230 2.863359       0.9729395 3.084592       1.079852  -0.5850658     4.497359  
1 1 1 21  21 22 o 45.75303 1.274080  21.17698       1.163788  22.36499       1.633943  19.95372       1.658010  2.641758       2.548159  
1 1 1 21  21 23 f 10.59740 2.547616  0.8584073      0.6963663 0.1146083      0.9171731 1.870776       1.070023  -5.237075      5.095232  
1 1 1 21  21 24 o 22.20411 2.336998  5.352218       0.9591568 4.439758       1.532690  5.939591       1.229714  -3.840975      4.673996  
1 1 1 21  21 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  21 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  21 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  21 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  22 0  o 57.18340 1.226590  32.88264       1.402643  33.42469       1.981806  32.33858       1.985473  0.9502487      2.453181  
1 1 1 21  22 1  o 55.51623 1.216978  30.91380       1.349378  33.18812       1.960791  28.86765       1.859826  3.875019       2.433956  
1 1 1 21  22 2  o 10.64390 2.472080  1.117064       0.6081208 1.162470       0.8366314 1.066201       0.8854706 0.2342529      4.944160  
1 1 1 21  22 3  o 60.48018 1.251172  36.77815       1.512227  36.33902       2.092147  37.25859       2.188317  -0.7439690     2.502344  
1 1 1 21  22 4  o 24.08092 1.468634  5.742092       0.6999385 4.765190       0.9268183 7.038831       1.067813  -4.692770      2.937268  
1 1 1 21  22 5  o 42.55207 1.502212  18.28310       1.186563  18.31392       1.433825  18.21612       2.113613  0.2522545      3.004425  
1 1 1 21  22 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  22 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  22 8  o 50.95251 1.902922  0.000000       0.000000  ?              ?         26.15571       1.939173  ?              ?         
1 1 1 21  22 9  o 38.67940 1.230205  15.06020       0.9507890 15.18448       1.319662  14.92605       1.371047  0.3433533      2.460411  
1 1 1 21  22 10 o 68.54121 1.346298  47.33157       1.845264  48.46897       2.630507  46.22962       2.589179  1.625175       2.692596  
1 1 1 21  22 11 o 79.52930 1.455155  63.77855       2.313114  66.04939       3.343448  61.69382       3.203511  2.705887       2.910311  
1 1 1 21  22 12 o 32.04721 1.339858  10.34415       0.8575454 10.10885       1.176452  10.61091       1.252635  -0.7660713     2.679716  
1 1 1 21  22 13 o 62.24169 1.311666  39.03448       1.630696  38.40286       2.242273  39.74358       2.375824  -1.046371      2.623331  
1 1 1 21  22 14 o 14.88878 2.355159  2.355200       0.6819415 2.242992       0.9254476 2.488516       1.008750  -0.7611971     4.710317  
1 1 1 21  22 15 o 26.26266 1.548451  7.069500       0.8022961 7.792070       1.088773  6.210974       1.186790  3.036743       3.096902  
1 1 1 21  22 16 o 17.42034 2.109827  3.085135       0.7101434 2.477159       0.9370879 3.905305       1.088402  -4.296230      4.219653  
1 1 1 21  22 17 o 20.20609 1.847112  4.170054       0.7425074 4.293989       1.009173  4.023779       1.096366  0.6992416      3.694224  
1 1 1 21  22 18 o 28.78019 1.420017  8.370679       0.8165553 8.247178       1.126522  8.507401       1.185284  -0.4355240     2.840034  
1 1 1 21  22 19 o 20.12405 1.900992  4.034876       0.7539977 3.231344       0.9900048 5.144745       1.163513  -4.687719      3.801984  
1 1 1 21  22 20 o 10.86579 2.700842  1.105597       0.7219786 1.072543       0.9446933 1.152015       1.119478  -0.5692444     5.401684  
1 1 1 21  22 21 o 16.23991 2.672828  2.854313       0.8504349 2.907247       1.255986  2.809497       1.155661  0.2304344      5.345655  
1 1 1 21  22 22 o 15.70759 4.991697  0.000000       0.000000  ?              ?         2.663093       1.760035  ?              ?         
1 1 1 21  22 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  22 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  22 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  22 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  23 0  o 61.67484 1.266878  38.18316       1.559563  36.88218       2.126310  39.69793       2.294376  -2.253254      2.533756  
1 1 1 21  23 1  o 51.50480 1.219394  26.48393       1.251098  29.83645       1.858923  23.70798       1.691538  5.920723       2.438788  
1 1 1 21  23 2  o 42.21857 1.220496  17.93147       1.029634  18.95153       1.466566  16.93995       1.445898  2.378723       2.440993  
1 1 1 21  23 3  o 9.731864 1.981048  0.4555293      0.5831797 2.088188       0.8145343 -1.261602      0.8353403 8.658014       3.962097  
1 1 1 21  23 4  o 40.75092 1.208782  16.70932       0.9835728 16.75320       1.353927  16.66030       1.431256  0.1276474      2.417564  
1 1 1 21  23 5  o 10.34025 2.485160  0.9918698      0.6299466 1.357924       0.8873295 0.6198989      0.8944716 2.284126       4.970321  
1 1 1 21  23 6  o 54.39464 1.269369  29.81278       1.379841  30.61721       1.931520  28.97436       1.971885  1.517815       2.538738  
1 1 1 21  23 7  o 27.98003 1.409022  7.897009       0.7845154 7.892276       1.057757  7.902797       1.169599  0.5802155E-02  2.818045  
1 1 1 21  23 8  o 11.55148 3.655818  1.363605       0.9447702 1.363605       0.9447702 ?              ?         ?              ?         
1 1 1 21  23 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  23 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  23 11 f 30.98109 1.425507  9.690910       0.8825122 9.589217       1.220201  9.802451       1.277920  -0.3296318     2.851015  
1 1 1 21  23 12 o 12.44061 2.565121  1.645090       0.6993283 2.083376       0.9426445 1.108574       1.042943  3.039713       5.130243  
1 1 1 21  23 13 o 57.21400 1.311013  33.02117       1.500009  33.65488       2.126395  32.39346       2.116308  1.099987       2.622025  
1 1 1 21  23 14 o 25.34353 1.843052  6.719420       0.9074546 5.335905       1.351229  7.856045       1.224744  -5.014545      3.686103  
1 1 1 21  23 15 f 10.87395 2.766082  1.065091       0.7703604 0.8750592      1.143991  1.222760       1.042040  -0.7173281     5.532164  
1 1 1 21  23 16 o 38.04292 1.546151  14.42041       1.145411  15.73427       1.877473  13.64147       1.445608  2.617466       3.092303  
1 1 1 21  23 17 o 22.41924 4.287131  0.000000       0.000000  ?              ?         5.446324       1.853635  ?              ?         
1 1 1 21  23 18 o 26.35877 2.496242  0.000000       0.000000  ?              ?         7.084369       1.315958  ?              ?         
1 1 1 21  23 19 o 29.90646 3.571303  0.000000       0.000000  ?              ?         9.299874       2.136101  ?              ?         
1 1 1 21  23 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  23 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  23 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  23 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  23 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 0  f 11.72466 2.396339  1.419445       0.6172956 1.934873       0.8696950 0.8961374      0.8763182 3.540112       4.792678  
1 1 1 21  24 1  o 64.63971 1.319700  42.01641       1.703329  40.77544       2.330786  43.43883       2.495370  -2.027103      2.639400  
1 1 1 21  24 2  f 29.65422 1.396914  8.864058       0.8279551 8.718251       1.146923  9.022733       1.196457  -0.5025368     2.793828  
1 1 1 21  24 3  o 28.96498 1.385018  8.474045       0.8009358 8.677247       1.108848  8.252371       1.158148  0.7444973      2.770036  
1 1 1 21  24 4  o 33.46657 1.300213  11.25564       0.8685903 10.75852       1.184196  11.83454       1.277892  -1.587135      2.600425  
1 1 1 21  24 5  o 67.55821 1.353860  46.02814       1.828789  47.49955       2.616683  44.62315       2.556946  2.114845       2.707720  
1 1 1 21  24 6  o 20.87410 1.738790  4.431511       0.7235601 4.551439       0.9927126 4.295591       1.056832  0.6323681      3.477581  
1 1 1 21  24 7  o 31.10662 1.424175  9.755593       0.8819311 9.588604       1.186939  9.961425       1.317774  -0.5664406     2.848351  
1 1 1 21  24 8  o 32.13620 1.430215  10.49899       0.9127666 11.67464       1.274021  9.259115       1.308357  3.766870       2.860429  
1 1 1 21  24 9  o 29.28933 1.508233  8.710527       0.8765150 10.03421       1.246568  7.416119       1.232707  4.465672       3.016466  
1 1 1 21  24 10 o 25.09094 2.953966  6.436971       1.482356  6.436971       1.482356  ?              ?         ?              ?         
1 1 1 21  24 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 13 o 35.80966 3.182584  0.000000       0.000000  ?              ?         13.18964       2.279345  ?              ?         
1 1 1 21  24 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  24 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 0  f 50.40243 1.254090  25.61288       1.263565  26.03637       1.769132  25.17188       1.805319  0.8655396      2.508179  
1 1 1 21  25 1  o 33.68094 1.303630  11.41935       0.8765752 11.11432       1.198134  11.77066       1.285837  -0.9542084     2.607260  
1 1 1 21  25 2  o 27.36389 1.458872  7.596812       0.7926942 7.848403       1.070098  7.290876       1.180024  1.046892       2.917744  
1 1 1 21  25 3  o 26.10764 1.531757  6.894287       0.7991522 6.856732       1.106608  6.935219       1.155309  -0.1371517     3.063514  
1 1 1 21  25 4  o 39.95731 1.288683  16.09575       1.029392  16.00122       1.432801  16.19660       1.479901  -0.2337341     2.577365  
1 1 1 21  25 5  o 30.48260 1.691812  9.394293       1.003559  9.567344       1.623939  9.287374       1.276477  0.3545017      3.383625  
1 1 1 21  25 6  o 46.70861 1.607761  22.48226       1.433992  20.77827       2.364051  23.47421       1.803717  -3.047668      3.215522  
1 1 1 21  25 7  o 47.48841 1.901102  0.000000       0.000000  ?              ?         22.76875       1.805606  ?              ?         
1 1 1 21  25 8  o 38.66359 2.625380  0.000000       0.000000  ?              ?         15.23236       2.030132  ?              ?         
1 1 1 21  25 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  25 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 0  o 64.53513 1.957972  0.000000       0.000000  ?              ?         42.06289       2.527159  ?              ?         
1 1 1 21  26 1  o 37.78263 2.449080  0.000000       0.000000  ?              ?         14.50186       1.850653  ?              ?         
1 1 1 21  26 2  o 62.96212 2.589300  0.000000       0.000000  ?              ?         40.36066       3.260556  ?              ?         
1 1 1 21  26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  26 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  27 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  28 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  29 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  29 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  29 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  29 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  29 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 21  29 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  0  0  o 11.38441 1.386463  1.411030       0.2825018 1.147909       0.3910650 1.698197       0.4085439 -0.000000      0.000000  
1 1 1 22  0  1  o 101.1448 1.574629  102.5280       3.181490  102.1611       4.461135  102.9078       4.538474  -0.000000      0.000000  
1 1 1 22  0  2  o 31.72585 0.8064204 10.10958       0.5100540 10.39195       0.7199475 9.825036       0.7227111 -0.000000      0.000000  
1 1 1 22  0  3  o 90.61160 1.432119  82.27065       2.591668  81.59898       3.614948  82.98099       3.717549  -0.000000      0.000000  
1 1 1 22  0  4  f 75.98817 1.237184  57.84594       1.877221  57.14434       2.610938  58.59674       2.700932  -0.000000      0.000000  
1 1 1 22  0  5  o 55.74701 0.9905056 31.13712       1.102428  30.72514       1.535267  31.57568       1.584012  -0.000000      0.000000  
1 1 1 22  0  6  o 59.74237 1.050023  35.71255       1.251307  34.59679       1.717861  36.97370       1.826347  -0.000000      0.000000  
1 1 1 22  0  7  o 14.43104 1.091938  2.167420       0.3065466 2.321768       0.4216146 1.994315       0.4464996 -0.000000      0.000000  
1 1 1 22  0  8  f 47.67682 0.9139631 22.78782       0.8700354 23.07951       1.237246  22.50248       1.223698  -0.000000      0.000000  
1 1 1 22  0  9  o 89.62471 1.415909  80.52193       2.534971  79.93001       3.557064  81.13280       3.613586  -0.000000      0.000000  
1 1 1 22  0  10 o 69.75031 1.159415  48.76934       1.615393  48.60584       2.278852  48.93447       2.290212  -0.000000      0.000000  
1 1 1 22  0  11 o 70.29074 1.166140  49.53143       1.637369  49.45136       2.312913  49.61188       2.318274  -0.000000      0.000000  
1 1 1 22  0  12 o 28.27380 0.8208867 8.033369       0.4623591 7.846603       0.6444182 8.231515       0.6637598 -0.000000      0.000000  
1 1 1 22  0  13 o 110.1421 1.698427  121.7231       3.737404  121.6736       5.287162  121.7725       5.283814  -0.000000      0.000000  
1 1 1 22  0  14 o 36.00423 1.193122  13.01234       0.8570786 13.01234       0.8570786 13.01234       0.8570786 -0.000000      0.000000  
1 1 1 22  0  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  0  16 o 165.1063 3.511518  274.2881       11.58379  274.2881       11.58379  274.2881       11.58379  -0.000000      0.000000  
1 1 1 22  0  17 o 45.77882 0.9256802 21.02121       0.8458406 21.13778       1.209419  20.90960       1.183404  -0.000000      0.000000  
1 1 1 22  0  18 f 175.0914 2.632794  308.8834       9.206917  313.4576       13.23612  304.5955       12.81517  -0.000000      0.000000  
1 1 1 22  0  19 o 20.42665 0.9278576 4.260958       0.3706614 3.486724       0.5230216 5.042175       0.5253752 -0.000000      0.000000  
1 1 1 22  0  20 o 48.83370 0.9411654 23.92212       0.9174325 23.92435       1.313421  23.92000       1.282040  -0.000000      0.000000  
1 1 1 22  0  21 o 29.69778 0.8432793 8.814211       0.4970509 9.462584       0.7454946 8.295306       0.6669222 -0.000000      0.000000  
1 1 1 22  0  22 o 50.56071 0.9609189 25.48898       0.9670654 23.53005       1.307174  27.85750       1.437350  -0.000000      0.000000  
1 1 1 22  0  23 o 36.92866 0.8684266 13.70887       0.6391711 13.08259       0.9079433 14.32418       0.8999586 -0.000000      0.000000  
1 1 1 22  0  24 f 41.33562 0.8946206 17.16141       0.7377267 16.64525       1.046590  17.67113       1.040047  -0.000000      0.000000  
1 1 1 22  0  25 o 39.18459 0.8844627 15.28466       0.6883993 13.60139       0.9272431 17.35183       1.027553  -0.000000      0.000000  
1 1 1 22  0  26 o 33.92888 0.8568492 11.56396       0.5793067 11.69472       0.8390412 11.44484       0.8008213 -0.000000      0.000000  
1 1 1 22  0  27 o 60.59806 1.076683  36.85510       1.302884  36.10646       1.825511  37.63237       1.860089  -0.000000      0.000000  
1 1 1 22  0  28 o 52.03366 0.9947252 27.17673       1.033348  26.56594       1.448076  27.81049       1.475045  -0.000000      0.000000  
1 1 1 22  0  29 f 11.31563 1.706288  1.401750       0.3355528 1.856880       0.5209040 1.078934       0.4387003 -0.000000      0.000000  
1 1 1 22  0  30 o 22.39127 0.9600407 5.033340       0.4236941 5.445906       0.6467411 4.723140       0.5607954 -0.000000      0.000000  
1 1 1 22  0  31 o 6.123392 2.153682  0.5210679      0.3201132 0.7561271      0.5021623 0.3601595      0.4154750 -0.000000      0.000000  
1 1 1 22  0  32 o 14.89869 1.366615  2.349272       0.3858302 2.074780       0.5719307 2.578526       0.5226817 -0.000000      0.000000  
1 1 1 22  0  33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  0  34 o 15.17733 1.278316  2.392696       0.3768160 2.268374       0.5824689 2.482175       0.4941525 -0.000000      0.000000  
1 1 1 22  0  35 o 7.781544 2.194919  0.8683215      0.3456543 0.6510428      0.5326749 1.026357       0.4542875 -0.000000      0.000000  
1 1 1 22  0  36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  0  37 o 13.37011 1.689074  1.951409       0.4005094 1.843978       0.6218510 2.027563       0.5235588 -0.000000      0.000000  
1 1 1 22  0  38 f 14.51218 1.537628  2.152349       0.4070241 2.890420       0.6600358 1.699442       0.5170386 -0.000000      0.000000  
1 1 1 22  0  39 o 25.46241 1.030221  6.492602       0.5158088 7.099862       0.8001581 6.060830       0.6747082 -0.000000      0.000000  
1 1 1 22  0  40 o 54.85081 1.079358  30.27841       1.181691  29.32538       1.665374  31.24480       1.677015  -0.000000      0.000000  
1 1 1 22  0  41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  1  0  o 130.2316 1.394558  169.7461       3.631106  167.4101       5.057887  172.2305       5.216084  -1.845734      2.789116  
1 1 1 22  1  1  o 94.38673 1.043546  89.01120       1.967415  86.53152       2.701393  91.81210       2.871039  -2.793205      2.087091  
1 1 1 22  1  2  o 107.9323 1.173769  116.6040       2.533751  116.5595       3.582683  116.6486       3.583848  -0.4122925E-01 2.347538  
1 1 1 22  1  3  o 95.19048 1.050780  90.64610       1.999848  92.17361       2.872488  89.20927       2.785923  1.554695       2.101560  
1 1 1 22  1  4  o 106.5465 1.162510  113.5120       2.475147  116.6931       3.590740  110.6321       3.416526  2.838638       2.325020  
1 1 1 22  1  5  o 45.42010 0.6278853 20.53377       0.5688011 22.06378       0.8434386 19.25749       0.7703353 3.087875       1.255771  
1 1 1 22  1  6  o 50.09187 0.6623306 24.85860       0.6597964 27.42498       1.000247  22.88179       0.8778706 4.532246       1.324661  
1 1 1 22  1  7  o 124.2463 1.335707  154.4040       3.315115  150.2728       4.555645  159.0540       4.833220  -3.521362      2.671415  
1 1 1 22  1  8  o 128.6609 1.379763  165.8383       3.550331  165.1341       4.998448  166.5554       5.043708  -0.5501862     2.759525  
1 1 1 22  1  9  o 80.85702 0.9174392 65.42835       1.483492  64.84922       2.080949  66.02684       2.115425  -0.7270355     1.834878  
1 1 1 22  1  10 o 82.37675 0.9321635 67.60755       1.530247  64.36761       2.061133  71.58677       2.284210  -4.373085      1.864327  
1 1 1 22  1  11 o 49.57288 0.6568460 24.57287       0.6509671 24.08124       0.9049011 25.10019       0.9371589 -1.026791      1.313692  
1 1 1 22  1  12 o 47.27092 0.7907617 22.89560       0.7198448 20.19453       1.148629  24.64259       0.9237527 -4.712860      1.581523  
1 1 1 22  1  13 o 40.67387 0.8703461 16.49871       0.7066214 15.53882       0.9636360 17.61520       1.039272  -2.549301      1.740692  
1 1 1 22  1  14 f 82.73288 1.154515  67.96815       1.779538  66.92467       2.147344  70.25603       3.179623  -1.953041      2.309030  
1 1 1 22  1  15 o 50.67739 0.6701685 25.64477       0.6783906 26.78326       0.9903162 24.63816       0.9311898 2.114292       1.340337  
1 1 1 22  1  16 f 95.08659 1.301651  89.24397       2.284606  87.07533       2.729975  94.31220       4.173425  -3.702217      2.603303  
1 1 1 22  1  17 o 138.5219 2.103202  193.3298       5.826753  193.2314       8.224825  193.4289       8.255808  -0.6736755E-01 4.206403  
1 1 1 22  1  18 o 62.29671 0.9232072 39.09026       1.099258  38.12329       1.838585  39.62822       1.371357  -1.236763      1.846414  
1 1 1 22  1  19 o 58.95028 0.7356576 34.68962       0.8658594 36.46835       1.270852  33.14859       1.182894  2.811192       1.471315  
1 1 1 22  1  20 f 16.83657 0.7081796 2.837430       0.2382114 3.016679       0.3397451 2.664099       0.3340897 1.046772       1.416359  
1 1 1 22  1  21 o 55.52758 0.7154361 30.48185       0.7884098 34.01164       1.210312  27.87996       1.039124  5.511272       1.430872  
1 1 1 22  1  22 o 26.97546 0.6044310 7.281033       0.3259746 7.566592       0.4651280 7.005396       0.4569755 1.039768       1.208862  
1 1 1 22  1  23 o 6.579638 1.397484  0.4308503      0.2027230 0.5609614      0.2911735 0.3084494      0.2824144 1.523377       2.794969  
1 1 1 22  1  24 o 44.30607 0.6401166 19.62553       0.5667782 18.92632       0.7829562 20.39533       0.8215247 -1.655216      1.280233  
1 1 1 22  1  25 o 5.100473 1.379130  0.1542672      0.2022923 0.2874694      0.2905099 0.2888324E-01  0.2818553 1.268406       2.758259  
1 1 1 22  1  26 o 40.16859 0.6306071 15.99333       0.5040011 17.93490       0.7601779 14.47044       0.6732442 4.306034       1.261214  
1 1 1 22  1  27 o 34.09901 0.6097710 11.64260       0.4158195 11.63634       0.5843618 11.64902       0.5918244 -0.1802444E-01 1.219542  
1 1 1 22  1  28 o 36.83541 0.6196419 13.56633       0.4561138 14.30370       0.6596717 12.89093       0.6313450 1.915325       1.239284  
1 1 1 22  1  29 o 26.41586 0.6377958 6.985590       0.3368230 6.712314       0.4711547 7.271235       0.4816994 -1.057005      1.275592  
1 1 1 22  1  30 o 59.09201 0.7570118 34.78844       0.8912966 32.65207       1.198534  37.43169       1.333152  -4.029396      1.514024  
1 1 1 22  1  31 o 16.69829 1.053699  2.825777       0.3213128 2.741228       0.5854896 2.862216       0.3843647 -0.3932514     2.107399  
1 1 1 22  1  32 o 9.457890 1.532670  0.8999406      0.2805338 0.7131144      0.3591730 1.192213       0.4492404 -2.420941      3.065339  
1 1 1 22  1  33 f 22.47011 0.7000815 5.058673       0.3144758 4.849069       0.4396553 5.278254       0.4499969 -0.9537354     1.400163  
1 1 1 22  1  34 o 38.13937 0.9222731 14.61924       0.7020835 15.79209       0.9982901 13.47141       0.9875882 3.040607       1.844546  
1 1 1 22  1  35 o 7.595912 1.616609  0.5942574      0.2699724 0.4479090      0.4046279 0.7116810      0.3624430 -1.276973      3.233218  
1 1 1 22  1  36 o 29.84968 0.6723523 8.926484       0.4011784 8.740470       0.5564817 9.127778       0.5788850 -0.6457176     1.344705  
1 1 1 22  1  37 o 31.51694 0.9610506 10.00880       0.6040404 9.727391       0.8810740 10.25836       0.8297211 -0.8533783     1.922101  
1 1 1 22  1  38 o 9.836088 1.377282  1.002153       0.2653984 0.8057079      0.3716697 1.206531       0.3791007 -2.192032      2.754565  
1 1 1 22  1  39 o 4.950804 1.485665  0.1266069E-01  0.2557887 0.1286651E-01  0.3525687 0.1243197E-01  0.3716663 -0.1246500     2.971329  
1 1 1 22  1  40 o 4.959893 1.485083  0.1653793E-01  0.2551350 -0.2049202E-01 0.3593939 0.5415954E-01  0.3622537 -0.2756472     2.970167  
1 1 1 22  1  41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  2  0  f 15.35402 0.7558565 2.383295       0.2183714 3.536355       0.3234943 1.418013       0.2959837 6.897885       1.511713  
1 1 1 22  2  1  o 87.99146 0.9824226 77.47094       1.728838  77.93277       2.457236  77.01824       2.432839  0.5191116      1.964845  
1 1 1 22  2  2  o 66.92465 0.7908123 44.79006       1.058197  44.05833       1.475281  45.56549       1.518697  -1.125160      1.581625  
1 1 1 22  2  3  o 33.08388 0.5710320 10.94695       0.3778072 11.14905       0.5370800 10.74898       0.5315628 0.6045456      1.142064  
1 1 1 22  2  4  o 87.07717 0.9739993 75.79909       1.694834  77.82509       2.458571  73.96447       2.339568  2.213470       1.947999  
1 1 1 22  2  5  o 75.42114 0.8670716 56.83447       1.306447  55.19817       1.796824  58.66973       1.902929  -2.298622      1.734143  
1 1 1 22  2  6  o 83.30187 0.9391521 69.02522       1.557472  65.30397       2.085217  73.72075       2.342332  -5.044083      1.878304  
1 1 1 22  2  7  o 14.30517 0.7871289 2.074455       0.2123502 3.040934       0.3129637 1.249896       0.2890739 6.259505       1.574258  
1 1 1 22  2  8  o 17.29577 0.6603831 2.990165       0.2281493 2.785462       0.3179552 3.207426       0.3275628 -1.219625      1.320766  
1 1 1 22  2  9  o 71.20717 0.8294003 50.70952       1.180661  51.80873       1.700849  49.68729       1.640216  1.487694       1.658801  
1 1 1 22  2  10 o 82.41594 1.330185  68.05533       2.192304  68.94643       3.130342  67.19753       3.071274  1.057655       2.660370  
1 1 1 22  2  11 o 54.81956 1.002552  29.77840       1.092405  32.92399       1.661656  27.38401       1.449727  5.043377       2.005104  
1 1 1 22  2  12 o 54.99590 0.8640685 30.45913       0.8953052 30.83288       1.099131  29.72215       1.543410  1.027306       1.728137  
1 1 1 22  2  13 o 27.76597 0.5821365 7.696139       0.3227364 8.348566       0.4676372 7.102769       0.4459698 2.242773       1.164273  
1 1 1 22  2  14 o 35.72794 0.5914354 12.73476       0.4219835 12.07781       0.5780370 13.48438       0.6174616 -1.967243      1.182871  
1 1 1 22  2  15 o 63.75803 0.7696387 40.68554       0.9813690 40.47596       1.380086  40.89991       1.395778  -0.3318138     1.539277  
1 1 1 22  2  16 o 104.1559 1.142343  108.6907       2.379307  109.8016       3.399017  107.6234       3.331690  1.041328       2.284685  
1 1 1 22  2  17 o 79.41103 0.9096246 63.06301       1.443138  61.34336       1.986125  64.98640       2.100482  -2.287399      1.819249  
1 1 1 22  2  18 o 91.68564 1.321455  84.34396       2.376489  84.32513       3.074247  84.37193       3.746230  0.3534698E-01  2.642911  
1 1 1 22  2  19 o 43.07352 0.8644310 18.58394       0.7445450 18.81300       1.047333  18.34991       1.058649  0.5382423      1.728862  
1 1 1 22  2  20 o 22.35982 0.7147705 4.584414       0.3008885 7.679428       0.5068905 2.900540       0.3738847 10.67940       1.429541  
1 1 1 22  2  21 o 65.39285 0.7881034 42.76959       1.029788  44.05392       1.495622  41.61187       1.419999  1.862305       1.576207  
1 1 1 22  2  22 o 10.76629 1.036265  1.193452       0.2087007 1.624084       0.3026845 0.8031927      0.2881467 3.932956       2.072530  
1 1 1 22  2  23 o 79.81624 0.9182947 63.67160       1.462922  61.13796       1.993204  66.63023       2.153896  -3.426178      1.836589  
1 1 1 22  2  24 f 43.00829 0.6367279 18.51365       0.5475872 18.80027       0.7838268 18.24041       0.7653154 0.6496391      1.273456  
1 1 1 22  2  25 o 50.54000 0.6842647 25.38578       0.6886216 23.56263       0.9225398 27.67972       1.034818  -4.064747      1.368529  
1 1 1 22  2  26 o 22.25698 0.6473840 4.950045       0.2878599 4.724333       0.3961111 5.202653       0.4190471 -1.072802      1.294768  
1 1 1 22  2  27 o 26.29961 0.6235998 6.923086       0.3274734 7.479403       0.4691176 6.394349       0.4573415 2.061947       1.247200  
1 1 1 22  2  28 o 68.50229 0.8261383 47.01703       1.131310  46.12102       1.570858  47.98255       1.630643  -1.352112      1.652277  
1 1 1 22  2  29 o 32.05215 0.6188833 10.23880       0.3957398 9.550226       0.5373744 11.05476       0.5849714 -2.342947      1.237767  
1 1 1 22  2  30 o 54.54591 1.032710  29.88342       1.126297  29.88439       1.611679  29.88250       1.574616  -0.3849030E-02 2.065421  
1 1 1 22  2  31 o 40.37209 0.7882766 16.23059       0.5984329 16.01844       0.7287231 16.66995       1.048724  -0.7691574     1.576553  
1 1 1 22  2  32 o 4.952394 1.422546  0.7207788E-01  0.2283275 0.2203148      0.3115681 -0.9988239E-01 0.3355744 1.078798       2.845091  
1 1 1 22  2  33 o 5.957249 1.496045  0.2951941      0.2272204 0.1860446      0.3114427 0.4194084      0.3322411 -1.261080      2.992091  
1 1 1 22  2  34 o 5.956281 1.524189  0.2868352      0.2362598 0.1903979      0.3265122 0.3928176      0.3422896 -1.049175      3.048378  
1 1 1 22  2  35 o 19.45170 1.035466  3.732553       0.3919145 3.507734       0.4933637 4.117045       0.6452003 -1.535484      2.070933  
1 1 1 22  2  36 o 25.65231 0.8027565 6.454766       0.3999066 7.218388       0.6634523 6.018993       0.5011876 2.311228       1.605513  
1 1 1 22  2  37 o 39.68574 0.6768219 15.76051       0.5366147 16.67439       0.7800791 14.93960       0.7393348 2.179523       1.353644  
1 1 1 22  2  38 o 14.18843 1.507614  2.145672       0.3925266 1.822670       0.6442647 2.336351       0.4950092 -2.064941      3.015229  
1 1 1 22  2  39 o 25.08264 0.7307518 6.319187       0.3662819 6.584408       0.5164245 6.050703       0.5195917 1.064465       1.461504  
1 1 1 22  2  40 o 49.09295 0.7237634 24.18335       0.7105398 23.88300       0.9950088 24.49590       1.014999  -0.6206856     1.447527  
1 1 1 22  2  41 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  3  0  o 129.7118 1.501183  168.8586       3.868371  165.2696       5.782896  171.7653       5.204163  -2.524155      3.002367  
1 1 1 22  3  1  o 18.19968 0.6517771 3.313118       0.2303171 2.330649       0.3133152 4.468162       0.3397200 -5.871980      1.303554  
1 1 1 22  3  2  o 34.65654 0.5704038 12.01066       0.3953140 11.77189       0.5543033 12.25779       0.5639380 -0.7008820     1.140808  
1 1 1 22  3  3  o 33.79133 0.6213297 10.97740       0.4061304 13.15919       0.6874788 9.807796       0.5033516 4.955774       1.242659  
1 1 1 22  3  4  o 32.98965 0.8655136 10.89608       0.5707382 11.16396       0.8007628 10.61949       0.8136838 0.8255539      1.731027  
1 1 1 22  3  5  o 52.95087 0.9858322 28.05980       1.043964  28.39729       1.484491  27.72958       1.468416  0.6300011      1.971664  
1 1 1 22  3  6  o 29.98814 0.6724089 8.804170       0.3989402 7.501876       0.5223435 10.62724       0.6180218 -5.208868      1.344818  
1 1 1 22  3  7  o 38.48318 0.7361453 14.87515       0.5287975 14.65556       0.9305459 14.97989       0.6426454 -0.4284782     1.472291  
1 1 1 22  3  8  o 98.69203 1.546429  97.37927       3.046191  101.5464       4.484135  93.80821       4.151051  3.901794       3.092858  
1 1 1 22  3  9  o 99.76240 1.561812  99.79364       3.116037  100.4948       4.434629  99.10990       4.379374  0.6906128      3.123625  
1 1 1 22  3  10 o 118.3039 1.379672  140.6170       3.243797  143.4252       4.374033  137.1851       4.835433  2.665169       2.759343  
1 1 1 22  3  11 o 62.54304 0.7574831 39.13977       0.9474353 38.70832       1.330011  39.58426       1.349964  -0.6995926     1.514966  
1 1 1 22  3  12 o 39.49876 0.5940791 15.49952       0.4674782 14.38558       0.6281866 16.88203       0.6998287 -3.158161      1.188158  
1 1 1 22  3  13 o 65.18681 0.7807841 42.26956       1.013759  45.34068       1.519961  39.80872       1.360585  4.236965       1.561568  
1 1 1 22  3  14 o 57.79658 0.7198006 33.21782       0.8285096 31.24411       1.111021  35.69038       1.243523  -3.841454      1.439601  
1 1 1 22  3  15 o 47.62164 0.6466014 22.52359       0.6133214 24.62965       0.9194659 20.83534       0.8232270 3.980419       1.293203  
1 1 1 22  3  16 o 44.87328 0.6330866 20.13429       0.5678692 19.71713       0.7875987 20.58596       0.8195295 -0.9669304     1.266173  
1 1 1 22  3  17 o 104.5800 1.147256  109.4195       2.395978  113.2633       3.506407  106.0527       3.281602  3.431053       2.294511  
1 1 1 22  3  18 o 42.63519 0.6223468 18.19184       0.5306445 18.22103       0.7466272 18.16204       0.7543213 0.6951904E-01  1.244694  
1 1 1 22  3  19 o 39.68044 0.6131716 15.72657       0.4861432 16.60841       0.7052597 14.92823       0.6710369 2.115662       1.226343  
1 1 1 22  3  20 f 7.881335 1.516849  0.6487260      0.2467123 0.7234756      0.3345409 0.5596032      0.3652914 0.8794465      3.033698  
1 1 1 22  3  21 o 14.79977 1.020009  2.279503       0.2854314 3.112823       0.4026346 1.437631       0.4046953 5.659686       2.040018  
1 1 1 22  3  22 f 62.17513 0.7658359 38.64396       0.9511844 40.13410       1.387170  37.32154       1.306782  2.256279       1.531672  
1 1 1 22  3  23 o 37.35565 0.6086232 13.96660       0.4546669 14.14832       0.6484821 13.79090       0.6376469 0.4777412      1.217246  
1 1 1 22  3  24 o 12.69647 0.8737957 1.614269       0.2217319 1.533056       0.3090504 1.700420       0.3183071 -0.6582470     1.747591  
1 1 1 22  3  25 o 51.03354 0.6868882 26.03315       0.7003276 25.03486       0.9633887 27.15187       1.019847  -2.069855      1.373776  
1 1 1 22  3  26 o 12.73141 0.8946451 1.626494       0.2275948 1.662528       0.3174580 1.588385       0.3264664 0.2921371      1.789290  
1 1 1 22  3  27 o 12.49050 0.9106792 1.558529       0.2270205 1.438436       0.3104910 1.696480       0.3327774 -1.030373      1.821358  
1 1 1 22  3  28 o 22.87972 0.8503392 4.828186       0.3502130 6.233278       0.6953127 4.350556       0.4053897 4.081095       1.700678  
1 1 1 22  3  29 o 55.95934 1.057123  31.45514       1.183001  31.17526       1.679876  31.73051       1.666239  -0.4981270     2.114246  
1 1 1 22  3  30 f 29.71145 0.6320814 8.824601       0.3748564 9.646604       0.5423841 8.072922       0.5186649 2.646086       1.264163  
1 1 1 22  3  31 f 18.00464 0.7570661 3.261237       0.2715698 3.429027       0.3745718 3.075305       0.3943027 0.9846077      1.514132  
1 1 1 22  3  32 f 10.46458 1.528002  1.299652       0.3111920 1.777134       0.3960396 0.5290809      0.5031139 5.660882       3.056005  
1 1 1 22  3  33 f 25.43083 0.6804165 6.410126       0.3437414 5.497772       0.4614496 7.547546       0.5152326 -4.023657      1.360833  
1 1 1 22  3  34 o 19.39081 0.7591911 3.768622       0.2941732 3.712265       0.4064289 3.830632       0.4263317 -0.3024597     1.518382  
1 1 1 22  3  35 o 6.960332 1.549119  0.4844669      0.2394976 0.4674231      0.3241101 0.5049669      0.3554578 -0.2772236     3.098239  
1 1 1 22  3  36 o 9.914966 1.602080  1.083288       0.2963503 1.196013       0.3534987 0.8167179      0.5436067 1.958307       3.204159  
1 1 1 22  3  37 o 11.07114 1.358792  1.249175       0.2939799 1.347170       0.4424756 1.171733       0.3933478 0.9386330      2.717585  
1 1 1 22  3  38 o 37.54797 0.6798034 14.14033       0.5104871 14.30486       0.7235824 13.97728       0.7203043 0.4357109      1.359607  
1 1 1 22  3  39 o 31.46620 0.9320909 10.25977       0.5354767 9.210519       0.9552401 10.74057       0.6466261 -2.500563      1.864182  
1 1 1 22  3  40 o 8.844873 1.960367  0.6563647      0.3448014 1.170115       0.7047499 0.4946885      0.3953502 3.412637       3.920734  
1 1 1 22  4  0  o 124.8747 1.341865  156.1307       3.351299  156.0437       4.737420  156.2178       4.741487  -0.6959534E-01 2.683730  
1 1 1 22  4  1  o 82.66551 0.9348209 68.37927       1.545549  68.35125       2.184914  68.40734       2.186558  -0.3388214E-01 1.869642  
1 1 1 22  4  2  o 44.21418 0.6165727 19.18779       0.5396343 22.26507       0.8394176 17.02020       0.7045041 5.928925       1.233145  
1 1 1 22  4  3  o 74.62888 0.8582958 55.68806       1.280373  54.56499       1.775557  56.90474       1.848062  -1.565758      1.716592  
1 1 1 22  4  4  f 15.40263 0.6514284 2.372974       0.1997629 2.080298       0.2779664 2.685588       0.2872783 -1.964700      1.302857  
1 1 1 22  4  5  o 103.8216 1.620134  108.0379       3.363718  107.1577       4.714854  108.9504       4.800330  -0.8588257     3.240268  
1 1 1 22  4  6  o 55.14601 1.019142  30.31828       1.121032  28.84337       1.519139  32.08175       1.661113  -2.931297      2.038284  
1 1 1 22  4  7  o 101.8427 1.369853  104.5474       2.648654  105.9731       3.278985  101.8704       4.493034  2.071617       2.739706  
1 1 1 22  4  8  f 76.70471 0.8782438 58.88490       1.347304  58.77198       1.902228  58.99857       1.908538  -0.1474915     1.756488  
1 1 1 22  4  9  o 112.0626 1.217229  125.7739       2.727597  127.2575       3.903460  124.3583       3.812941  1.288887       2.434457  
1 1 1 22  4  10 f 59.37723 1.060638  35.29577       1.259255  34.83273       1.757828  35.78391       1.804814  -0.7987366     2.121277  
1 1 1 22  4  11 o 74.53873 0.8605344 55.61088       1.282828  56.01193       1.822386  55.21697       1.806109  0.5326080      1.721069  
1 1 1 22  4  12 o 52.97636 0.6772318 28.02258       0.7164792 27.04020       0.9812378 29.14452       1.048625  -1.983902      1.354464  
1 1 1 22  4  13 o 85.44569 0.9612443 73.09984       1.642540  72.57845       2.304745  73.63799       2.341496  -0.6182022     1.922489  
1 1 1 22  4  14 o 57.52125 0.7182831 33.01030       0.8244485 31.68074       1.121024  34.57659       1.216741  -2.513515      1.436566  
1 1 1 22  4  15 f 102.7581 1.127909  105.7575       2.317236  104.1779       3.226502  107.4401       3.330086  -1.580864      2.255818  
1 1 1 22  4  16 f 56.46380 0.7125710 31.89084       0.8044384 32.63483       1.155398  31.19086       1.120691  1.277199       1.425142  
1 1 1 22  4  17 o 21.07323 0.6125348 4.436938       0.2579047 4.292934       0.3551699 4.597567       0.3751113 -0.7219830     1.225070  
1 1 1 22  4  18 o 35.16972 0.5917045 12.22305       0.4135248 14.19862       0.6246390 10.68167       0.5517457 4.996933       1.183409  
1 1 1 22  4  19 f 30.86477 0.5845077 9.453739       0.3592710 8.640649       0.4821213 10.46907       0.5387548 -2.959616      1.169015  
1 1 1 22  4  20 o 57.66542 0.7280754 33.29308       0.8396906 33.38416       1.186625  33.20173       1.188381  0.1582794      1.456151  
1 1 1 22  4  21 o 29.82962 0.7034930 9.099105       0.4044158 9.717657       0.5181088 8.134563       0.6469837 2.661139       1.406986  
1 1 1 22  4  22 o 21.71114 0.8085642 4.748710       0.3490855 5.165999       0.4843132 4.297498       0.5036154 2.001566       1.617128  
1 1 1 22  4  23 o 23.88800 0.7138529 5.526528       0.3332773 6.605537       0.5467778 4.888665       0.4203994 3.584318       1.427706  
1 1 1 22  4  24 o 21.84586 0.6371607 4.776032       0.2778144 5.205220       0.3983127 4.369451       0.3876809 1.912163       1.274321  
1 1 1 22  4  25 f 36.93893 0.6160746 13.57707       0.4537273 14.87376       0.6736796 12.50057       0.6138238 3.208153       1.232149  
1 1 1 22  4  26 o 41.61518 0.6373374 17.32437       0.5301557 17.88462       0.7656841 16.80843       0.7347775 1.290646       1.274675  
1 1 1 22  4  27 o 49.94666 1.001143  25.04221       0.9995918 24.92414       1.434252  25.15374       1.393885  -0.2351074     2.002286  
1 1 1 22  4  28 o 43.41154 0.8073413 18.88829       0.6553795 18.88009       0.7963418 18.90550       1.153717  0.9265900E-02  1.614683  
1 1 1 22  4  29 o 16.64228 0.7824376 2.747172       0.2589296 2.398439       0.3475673 3.182092       0.3881478 -2.349907      1.564875  
1 1 1 22  4  30 o 63.34435 0.7903273 40.18409       1.000487  39.13715       1.382311  41.33593       1.449914  -1.727741      1.580655  
1 1 1 22  4  31 o 10.13348 1.320508  1.049397       0.2583493 1.422619       0.3824093 0.7360275      0.3504068 3.518727       2.641017  
1 1 1 22  4  32 o 27.33426 0.6586357 7.480752       0.3595764 8.045919       0.5165395 6.949377       0.5008585 2.003998       1.317271  
1 1 1 22  4  33 o 27.99128 0.6521974 7.850294       0.3650621 8.043904       0.5198749 7.661953       0.5127505 0.6814461      1.304395  
1 1 1 22  4  34 o 25.74624 0.6718239 6.649015       0.3453234 7.147267       0.4906168 6.159822       0.4861361 1.917091       1.343648  
1 1 1 22  4  35 o 23.30517 0.7125351 5.446803       0.3315764 5.446304       0.4561229 5.447361       0.4828581 0.1520157E-02  1.425070  
1 1 1 22  4  36 o 11.66704 1.212437  1.430980       0.2648834 1.853695       0.3724371 0.9982930      0.3768044 3.818420       2.424874  
1 1 1 22  4  37 o 51.30066 0.8851924 26.24395       0.8528544 25.86600       1.037086  27.03349       1.498937  -1.048950      1.770385  
1 1 1 22  4  38 o 10.02214 1.548218  1.059453       0.3017305 1.048095       0.4296526 1.070505       0.4238297 -0.1132050     3.096436  
1 1 1 22  4  39 o 28.56801 0.9795988 8.558661       0.5013829 7.425014       0.9139805 9.046664       0.5996657 -2.912544      1.959198  
1 1 1 22  4  40 f 14.54840 2.283821  2.453995       0.6203057 2.827077       0.7453231 1.613154       1.118920  4.242866       4.567641  
1 1 1 22  5  0  o 106.1094 1.156581  112.6891       2.454202  111.7936       3.439858  113.6174       3.502521  -0.8574982     2.313162  
1 1 1 22  5  1  o 100.9203 1.106666  101.5650       2.227188  106.7548       3.305496  97.24993       3.014076  4.700165       2.213333  
1 1 1 22  5  2  o 160.7701 2.102273  257.7941       6.301273  263.9249       11.21607  254.9666       7.616969  2.566055       4.204545  
1 1 1 22  5  3  o 39.70838 0.9111853 15.74507       0.7227987 16.77891       1.048861  14.81009       0.9974590 2.477642       1.822371  
1 1 1 22  5  4  o 123.3385 1.895692  152.6047       4.675477  151.2555       6.542596  154.0129       6.683915  -1.109024      3.791384  
1 1 1 22  5  5  o 45.11697 0.6209254 19.99901       0.5544555 17.92562       0.7231979 22.95550       0.8635852 -5.571327      1.241851  
1 1 1 22  5  6  o 54.30814 0.6839815 29.50248       0.7428490 29.87198       1.059205  29.14482       1.042098  0.6690598      1.367963  
1 1 1 22  5  7  o 92.91962 1.029807  86.34946       1.912312  84.32204       2.642462  88.57882       2.770947  -2.285629      2.059614  
1 1 1 22  5  8  o 114.5599 1.240147  131.1839       2.836381  136.1737       4.163202  126.8615       3.874804  4.049477       2.480294  
1 1 1 22  5  9  o 120.5396 1.299535  145.6046       3.132897  145.4285       4.423560  145.7820       4.437646  -0.1458282     2.599070  
1 1 1 22  5  10 o 49.85608 0.6578607 24.31053       0.6473610 28.44113       1.021559  21.53869       0.8368381 6.916840       1.315721  
1 1 1 22  5  11 o 32.02495 0.5561258 10.24950       0.3559155 10.84208       0.5117629 9.694393       0.4953207 1.791426       1.112252  
1 1 1 22  5  12 o 65.67735 0.7812866 43.05717       1.024269  41.42478       1.396789  44.95605       1.506495  -2.684074      1.562573  
1 1 1 22  5  13 o 61.04968 0.7450619 37.18149       0.9076331 35.62547       1.233897  39.01609       1.339809  -2.772778      1.490124  
1 1 1 22  5  14 o 108.2375 1.544323  116.3939       3.227411  113.1682       4.039366  122.0885       5.366985  -4.009567      3.088645  
1 1 1 22  5  15 o 33.14983 0.5728428 10.92654       0.3783966 10.22188       0.5091223 11.79618       0.5655881 -2.372669      1.145686  
1 1 1 22  5  16 o 70.49097 0.8293138 49.65130       1.167538  47.98165       1.600368  51.55106       1.707090  -2.526268      1.658628  
1 1 1 22  5  17 o 38.41675 0.5961273 14.75199       0.4576639 15.59802       0.6586490 13.96217       0.6363935 2.128166       1.192255  
1 1 1 22  5  18 o 15.26947 0.6835049 2.323804       0.2079356 2.227702       0.2798695 2.442221       0.3106666 -0.7009687     1.367010  
1 1 1 22  5  19 o 18.37049 0.6515606 3.376637       0.2389615 3.358789       0.3278616 3.396861       0.3490144 -0.1025848     1.303121  
1 1 1 22  5  20 o 38.57312 0.6090971 14.87928       0.4696841 15.47987       0.6748358 14.31500       0.6541157 1.508911       1.218194  
1 1 1 22  5  21 o 55.68657 0.7181720 30.94606       0.7981257 29.54242       1.086010  32.59447       1.176901  -2.734650      1.436344  
1 1 1 22  5  22 o 43.50394 0.6377479 18.90276       0.5542372 20.07567       0.8060800 17.85107       0.7632891 2.554134       1.275496  
1 1 1 22  5  23 o 39.55159 0.7775893 15.63866       0.6070221 15.47361       0.7945620 15.87003       0.9407536 -0.4893265     1.555179  
1 1 1 22  5  24 o 28.95834 0.7786064 8.329098       0.4486814 7.700472       0.5989692 9.132862       0.6772864 -2.466604      1.557213  
1 1 1 22  5  25 f 49.80326 0.8817520 24.80569       0.8124390 25.02840       1.461818  24.70615       0.9772713 0.2748413      1.763504  
1 1 1 22  5  26 o 5.814774 1.712534  0.1701314E-01  0.3462115 -0.3089480     0.5196115 0.2772511      0.4642813 -1.373671      3.425069  
1 1 1 22  5  27 o 31.18021 0.6162618 9.736072       0.3842355 9.742456       0.5384457 9.729449       0.5484753 0.2168274E-01  1.232524  
1 1 1 22  5  28 o 62.39989 0.7801493 38.86107       0.9710412 36.80923       1.315909  41.31414       1.438828  -3.596603      1.560299  
1 1 1 22  5  29 f 48.62270 0.8236492 23.62204       0.7587309 23.44305       0.9321809 23.97336       1.305991  -0.5012779     1.647298  
1 1 1 22  5  30 o 31.87715 0.6294578 10.17572       0.4012340 10.04167       0.5609666 10.31614       0.5741233 -0.4292908     1.258916  
1 1 1 22  5  31 o 68.07370 0.8323981 46.48788       1.133258  46.12456       1.595753  46.85757       1.609675  -0.5364838     1.664796  
1 1 1 22  5  32 o 18.68985 0.7529354 3.525327       0.2793549 3.961879       0.3914197 3.072114       0.3988191 2.381319       1.505871  
1 1 1 22  5  33 o 51.29231 0.7128089 26.36888       0.7311296 25.88309       1.023980  26.87411       1.044266  -0.9634743     1.425618  
1 1 1 22  5  34 o 29.08440 0.6620589 8.478588       0.3850795 8.633275       0.5465958 8.326157       0.5425955 0.5274734      1.324118  
1 1 1 22  5  35 o 29.35156 0.6608649 8.579203       0.3865338 7.690765       0.5243218 9.636851       0.5720775 -3.308825      1.321730  
1 1 1 22  5  36 o 9.198610 1.409303  0.8581460      0.2590848 0.5771575      0.3486347 1.204726       0.3871939 -3.447146      2.818606  
1 1 1 22  5  37 o 29.70942 0.6857811 8.848034       0.4072577 8.725974       0.5650860 8.979955       0.5874645 -0.4240417     1.371562  
1 1 1 22  5  38 o 20.94403 1.931628  4.441312       0.8091216 4.441312       0.8091216 ?              ?         ?              ?         
1 1 1 22  5  39 o 8.818075 1.644117  0.8081826      0.2999452 0.5732296      0.4122214 1.072543       0.4372582 -2.512644      3.288234  
1 1 1 22  5  40 f 23.36604 1.240751  5.529514       0.5660239 5.471192       0.9014496 5.567476       0.7272655 -0.2598400     2.481503  
1 1 1 22  6  0  o 65.90539 1.150965  43.43691       1.516083  42.29670       2.097738  44.68372       2.193605  -1.807770      2.301929  
1 1 1 22  6  1  o 111.9473 1.737630  125.6235       3.889794  124.4769       5.441592  126.8216       5.562395  -1.040833      3.475261  
1 1 1 22  6  2  o 110.6921 1.482067  123.0971       3.091997  123.7562       3.790732  121.7869       5.344727  0.9617462      2.964135  
1 1 1 22  6  3  o 116.7968 1.261195  136.6175       2.946068  136.7835       4.169246  136.4520       4.163499  0.1416702      2.522390  
1 1 1 22  6  4  o 62.62419 0.7511645 39.00976       0.9369482 36.85555       1.257591  41.69728       1.404664  -3.861958      1.502329  
1 1 1 22  6  5  o 71.13992 0.8276114 50.60907       1.176912  49.64802       1.632935  51.64795       1.697768  -1.403755      1.655223  
1 1 1 22  6  6  f 112.8040 1.222270  127.4155       2.756950  125.9443       3.851430  128.9616       3.948204  -1.333008      2.444540  
1 1 1 22  6  7  o 46.08603 0.6229911 21.23974       0.5741002 21.73708       0.8220052 20.76613       0.8021591 1.052902       1.245982  
1 1 1 22  6  8  o 67.59004 0.7959473 45.63768       1.074508  44.22206       1.473933  47.24337       1.569758  -2.231667      1.591895  
1 1 1 22  6  9  o 62.36725 0.7528713 38.56985       0.9334523 42.12335       1.418094  35.85300       1.239967  5.020882       1.505743  
1 1 1 22  6  10 o 66.26173 0.7852063 43.93408       1.040478  44.50640       1.484385  43.38128       1.458862  0.8480606      1.570413  
1 1 1 22  6  11 o 35.36306 0.5666363 12.51328       0.4006753 12.64802       0.5628327 12.37484       0.5705265 0.3864708      1.133273  
1 1 1 22  6  12 o 68.36491 0.8045136 46.77112       1.099787  46.26578       1.536935  47.30140       1.574409  -0.7558517     1.609027  
1 1 1 22  6  13 o 70.35674 0.8245487 49.02165       1.151193  45.56976       1.517478  53.70158       1.766906  -5.767876      1.649097  
1 1 1 22  6  14 o 64.59900 0.7760435 41.76800       1.002608  42.11173       1.423676  41.42979       1.412197  0.5273361      1.552087  
1 1 1 22  6  15 o 110.7604 1.206134  122.8648       2.669743  120.1789       3.688875  125.8190       3.868715  -2.532997      2.412269  
1 1 1 22  6  16 o 28.09768 0.6173937 7.752234       0.3417157 8.738527       0.5428265 7.104820       0.4397937 2.902901       1.234787  
1 1 1 22  6  17 o 53.91219 0.6941494 29.05876       0.7477679 28.34282       1.031079  29.85309       1.086070  -1.397991      1.388299  
1 1 1 22  6  18 o 11.49607 0.8163451 1.316800       0.1863328 1.271830       0.2471958 1.375974       0.2835600 -0.4508209     1.632690  
1 1 1 22  6  19 o 51.70415 0.6839368 26.72907       0.7066351 26.02308       0.9749956 27.51023       1.025589  -1.435360      1.367874  
1 1 1 22  6  20 o 49.79288 0.6722337 24.68324       0.6670231 23.28997       0.8978619 26.39926       0.9964482 -3.116581      1.344467  
1 1 1 22  6  21 f 91.98238 1.031950  84.79481       1.897645  86.42750       2.731540  83.27174       2.638243  1.706558       2.063900  
1 1 1 22  6  22 o 46.54668 0.6595398 21.65045       0.6132244 20.87181       0.8419428 22.53020       0.8949423 -1.777870      1.319080  
1 1 1 22  6  23 o 54.00654 0.9082698 28.21225       0.8795651 31.56031       1.710155  27.00807       1.025613  4.149925       1.816540  
1 1 1 22  6  24 o 51.16610 1.314318  26.12227       1.248979  25.78836       1.504274  26.86334       2.240981  -0.9439392     2.628636  
1 1 1 22  6  25 o 29.99003 0.7902719 8.823071       0.4678328 7.891849       0.6049309 10.20887       0.7379528 -3.850370      1.580544  
1 1 1 22  6  26 o 26.27259 0.7090979 6.854655       0.3680893 7.290941       0.5736566 6.549310       0.4799118 1.402872       1.418196  
1 1 1 22  6  27 o 62.36168 0.7765613 38.95263       0.9681020 38.13884       1.344312  39.82935       1.395318  -1.350048      1.553123  
1 1 1 22  6  28 o 35.03407 0.7223670 12.25727       0.4928568 12.48160       0.7965082 12.11808       0.6273869 0.5018692      1.444734  
1 1 1 22  6  29 f 64.46593 0.7996328 41.65656       1.030797  41.06197       1.441156  42.27937       1.474965  -0.9402733     1.599266  
1 1 1 22  6  30 o 24.33072 0.6656465 5.898055       0.3227178 5.246815       0.4398227 6.657591       0.4749869 -2.895567      1.331293  
1 1 1 22  6  31 o 33.33241 0.6348611 11.13274       0.4231764 11.35392       0.5992810 10.91277       0.5976459 0.6615715      1.269722  
1 1 1 22  6  32 o 31.25441 0.6381317 9.768291       0.3984824 9.286119       0.5493926 10.30354       0.5788381 -1.624325      1.276263  
1 1 1 22  6  33 o 27.78003 0.6658562 7.725745       0.3692614 8.410091       0.5316197 7.087774       0.5132915 2.377771       1.331712  
1 1 1 22  6  34 o 47.29465 0.6912366 22.34122       0.6524342 21.12760       0.8878917 23.76562       0.9619094 -2.778873      1.382473  
1 1 1 22  6  35 o 8.988129 1.341327  0.8899204      0.2432844 1.310427       0.3315560 0.3994273      0.3580856 4.848942       2.682655  
1 1 1 22  6  36 o 12.24782 1.075248  1.508636       0.2625534 1.482241       0.3560133 1.540111       0.3887569 -0.2283964     2.150496  
1 1 1 22  6  37 o 43.58712 1.041097  18.99824       0.9034878 20.50018       1.358665  17.80756       1.209716  3.053726       2.082195  
1 1 1 22  6  38 o 4.826293 1.443162  -0.5367281E-01 0.2468276 -0.2396540     0.3268002 0.1933203      0.3766086 -1.766445      2.886324  
1 1 1 22  6  39 o 17.09722 1.076846  3.027080       0.3419347 3.180835       0.4190311 2.720659       0.5915474 1.389942       2.153692  
1 1 1 22  6  40 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  7  0  o 96.52021 1.479831  93.34258       2.856640  93.62151       4.051597  93.06687       4.028301  0.2862244      2.959662  
1 1 1 22  7  1  o 69.04842 1.102868  47.72555       1.522872  48.06193       2.171997  47.40029       2.135792  0.4777985      2.205736  
1 1 1 22  7  2  f 49.10608 0.7448937 24.29094       0.7111495 23.40849       1.138368  24.85575       0.9107292 -1.479225      1.489787  
1 1 1 22  7  3  o 30.34509 0.5228879 8.992994       0.3135476 7.703937       0.4080274 10.85190       0.4899847 -5.185482      1.045776  
1 1 1 22  7  4  o 9.479945 0.5954853 0.8954099      0.1122770 0.8668076      0.1500411 0.9318078      0.1692573 -0.3424244     1.190971  
1 1 1 22  7  5  f 37.00438 0.5619854 13.69781       0.4159150 13.67096       0.5868045 13.72491       0.5895906 -0.7283020E-01 1.123971  
1 1 1 22  7  6  o 26.88284 0.5129842 7.229447       0.2757827 7.254419       0.3877072 7.203871       0.3923658 0.9411430E-01  1.025968  
1 1 1 22  7  7  o 45.83507 0.6223876 21.01875       0.5705323 20.84421       0.8060741 21.19397       0.8076372 -0.3814964     1.244775  
1 1 1 22  7  8  o 17.07055 0.5191776 2.923456       0.1767401 3.107681       0.2465035 2.728562       0.2535414 1.110611       1.038355  
1 1 1 22  7  9  o 48.40366 0.6455691 23.44217       0.6249558 23.49948       0.8834332 23.38476       0.8842095 0.1185265      1.291138  
1 1 1 22  7  10 o 140.6887 1.503000  198.5503       4.229025  197.9176       5.959366  199.1922       6.002355  -0.4497833     3.006000  
1 1 1 22  7  11 o 21.32199 0.5320463 4.544231       0.2266001 4.474165       0.3117061 4.622760       0.3299973 -0.3479500     1.064093  
1 1 1 22  7  12 o 79.24111 0.9037701 62.68310       1.429315  65.65646       2.105852  60.14328       1.946278  3.470978       1.807540  
1 1 1 22  7  13 o 110.8472 1.207284  123.1406       2.676296  122.2321       3.758235  124.0753       3.812049  -0.8278351     2.414568  
1 1 1 22  7  14 o 117.5870 1.273617  138.6392       2.995175  139.1266       4.249480  138.1580       4.222285  0.4098206      2.547234  
1 1 1 22  7  15 o 68.65550 0.8120822 46.99697       1.111714  44.80873       1.503031  49.64014       1.651893  -3.510658      1.624164  
1 1 1 22  7  16 o 142.4855 1.524684  203.9511       4.344759  203.0668       6.114376  204.8530       6.174903  -0.6203308     3.049367  
1 1 1 22  7  17 f 28.39090 0.5673407 8.059890       0.3218597 7.937940       0.4445093 8.194293       0.4666544 -0.4505825     1.134681  
1 1 1 22  7  18 o 27.98220 0.5726443 7.791524       0.3194694 7.285595       0.4314247 8.405745       0.4753599 -1.999590      1.145289  
1 1 1 22  7  19 o 43.44289 0.8245444 18.57520       0.6386536 18.19324       0.7456442 19.62709       1.237398  -1.617157      1.649089  
1 1 1 22  7  20 o 67.29294 0.8083676 45.34388       1.087687  44.75488       1.518257  45.96492       1.558995  -0.8961411     1.616735  
1 1 1 22  7  21 o 33.08728 0.6653816 11.03785       0.4338737 10.47703       0.6638336 11.45608       0.5732620 -1.485382      1.330763  
1 1 1 22  7  22 o 76.42968 1.300637  58.59702       1.985335  60.69221       2.902530  56.75494       2.721573  2.551163       2.601274  
1 1 1 22  7  23 f 20.21353 1.029329  4.471842       0.3282610 4.748071       0.3718554 3.496613       0.6987035 3.128757       2.058659  
1 1 1 22  7  24 o 82.49840 0.9493860 68.25136       1.566272  67.63375       2.194807  68.89227       2.235848  -0.7582245     1.898772  
1 1 1 22  7  25 o 61.79703 0.7734417 38.24538       0.9554480 37.56216       1.326176  38.98273       1.377713  -1.144424      1.546883  
1 1 1 22  7  26 o 16.09604 0.9034792 2.524405       0.2861007 2.008474       0.3726740 3.264879       0.4464650 -3.894019      1.806958  
1 1 1 22  7  27 o 46.56256 0.8882284 21.70454       0.8254492 21.13108       1.125754  22.37139       1.213952  -1.321178      1.776457  
1 1 1 22  7  28 o 35.63631 0.6233796 12.69899       0.4439319 12.17996       0.6131244 13.27093       0.6436139 -1.527958      1.246759  
1 1 1 22  7  29 o 37.89254 0.6362004 14.37952       0.4820687 14.55446       0.6892381 14.21198       0.6744971 0.4505272      1.272401  
1 1 1 22  7  30 f 86.78048 0.9948060 75.64879       1.726536  75.97431       2.453741  75.32957       2.429817  0.3675995      1.989612  
1 1 1 22  7  31 o 28.69927 0.6404127 8.222775       0.3668354 7.569057       0.5027586 8.967028       0.5364454 -2.431763      1.280825  
1 1 1 22  7  32 o 15.02315 0.8672088 2.297687       0.2567052 2.646494       0.3546335 1.913745       0.3720654 2.441375       1.734418  
1 1 1 22  7  33 o 9.840644 1.298480  1.073719       0.2410109 1.476579       0.3260446 0.5884185      0.3578536 4.563553       2.596961  
1 1 1 22  7  34 o 50.62842 0.7145597 25.68511       0.7231838 26.36637       1.042986  25.05430       1.003622  1.290184       1.429119  
1 1 1 22  7  35 o 31.89578 0.9076827 10.42753       0.5199059 9.758092       0.9650042 10.70131       0.6171290 -1.544779      1.815365  
1 1 1 22  7  36 o 26.36953 0.8921889 7.087380       0.4238608 7.222795       0.5031861 6.756557       0.7864938 0.9380093      1.784378  
1 1 1 22  7  37 o 14.98972 0.9334882 2.253650       0.2790968 2.181802       0.3786560 2.339115       0.4129786 -0.5173044     1.866976  
1 1 1 22  7  38 o 20.52002 0.7782783 4.248047       0.3178072 4.488471       0.4365559 3.976969       0.4635525 1.251635       1.556557  
1 1 1 22  7  39 o 4.986815 1.530113  -0.4881006E-01 0.2670930 -0.7374878E-01 0.3261929 0.1929720E-02  0.4652771 -1.141500      3.060226  
1 1 1 22  8  0  o 144.3683 2.196982  209.1514       6.338096  214.5942       9.194715  204.2238       8.748748  3.558777       4.393964  
1 1 1 22  8  1  o 62.17610 1.575951  38.70496       1.959730  38.70496       1.959730  ?              ?         ?              ?         
1 1 1 22  8  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  8  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  8  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  8  5  o 29.24735 0.9555418 8.519840       0.5575102 7.861710       0.7579794 9.295522       0.8228918 -2.448503      1.911084  
1 1 1 22  8  6  o 72.30241 1.233429  51.95800       1.773243  48.72202       2.358665  56.16453       2.689209  -5.128555      2.466858  
1 1 1 22  8  7  o 9.592972 1.883017  0.9496626      0.3739924 0.8958057      0.5169863 1.008789       0.5416883 -0.5339155     3.766035  
1 1 1 22  8  8  o 37.17890 0.9457661 13.76021       0.7011175 12.80973       0.9478579 14.90855       1.041854  -2.818390      1.891532  
1 1 1 22  8  9  o 52.32358 1.029720  27.40835       1.077345  27.89457       1.543121  26.94598       1.504793  0.9045143      2.059439  
1 1 1 22  8  10 o 69.49391 1.204669  48.39747       1.674333  48.56608       2.366873  48.22859       2.368857  0.2429428      2.409339  
1 1 1 22  8  11 o 56.21719 0.7068475 31.57917       0.7940533 32.81022       1.152598  30.46705       1.095499  2.081852       1.413695  
1 1 1 22  8  12 o 111.8915 1.219364  125.4274       2.727584  127.5106       3.926096  123.4840       3.792163  1.790283       2.438729  
1 1 1 22  8  13 o 82.37885 0.9344386 67.51599       1.532163  72.37225       2.307988  63.68950       2.048720  5.255753       1.868877  
1 1 1 22  8  14 o 72.98286 0.8488572 53.18190       1.236370  51.13128       1.682946  55.58632       1.822346  -3.044434      1.697714  
1 1 1 22  8  15 o 14.79810 0.6055937 2.171755       0.1781778 2.019448       0.2368200 2.370444       0.2704855 -1.184519      1.211187  
1 1 1 22  8  16 o 49.78881 0.6617370 24.63147       0.6558409 23.05383       0.8770801 26.63236       0.9877495 -3.588577      1.323474  
1 1 1 22  8  17 o 71.86189 0.8428835 51.71302       1.211281  51.29233       1.697533  52.14939       1.728919  -0.5943222     1.685767  
1 1 1 22  8  18 o 38.69397 0.5999231 14.88264       0.4626731 16.51931       0.6871246 13.52507       0.6258032 3.866100       1.199846  
1 1 1 22  8  19 o 30.32665 0.6536168 9.274781       0.3895245 8.818542       0.6020669 9.603242       0.5108463 -1.298910      1.307234  
1 1 1 22  8  20 o 49.01900 1.023892  24.00529       1.001889  25.77518       1.471220  22.47468       1.368158  3.356483       2.047784  
1 1 1 22  8  21 o 20.60544 1.014785  3.957358       0.3826040 3.565664       0.4479477 5.013872       0.7356845 -3.483881      2.029571  
1 1 1 22  8  22 o 6.259841 1.256334  0.4118035      0.1678894 0.4989668      0.2187343 0.2868221      0.2619223 1.305863       2.512669  
1 1 1 22  8  23 o 63.05228 0.7808410 39.83315       0.9846664 40.07668       1.395471  39.59166       1.389605  0.3840981      1.561682  
1 1 1 22  8  24 f 46.92969 0.7823146 21.72680       0.6967081 21.02061       0.8525996 23.14606       1.208693  -2.230957      1.564629  
1 1 1 22  8  25 o 8.969781 1.178466  0.9047585      0.1953169 1.149680       0.2526509 0.5409711      0.3079152 3.477699       2.356932  
1 1 1 22  8  26 o 17.01811 0.7239687 2.907498       0.2438778 2.941757       0.3236118 2.862466       0.3710187 0.2376003      1.447937  
1 1 1 22  8  27 o 41.66687 0.7512298 17.61762       0.6088238 18.42252       0.7854941 16.40647       0.9635447 2.437798       1.502460  
1 1 1 22  8  28 o 68.07615 1.128038  46.56801       1.535053  46.01311       2.131666  47.16571       2.212368  -0.8332367     2.256077  
1 1 1 22  8  29 o 19.33235 0.7099274 3.731716       0.2739726 3.467242       0.3749202 4.034776       0.4013392 -1.464937      1.419855  
1 1 1 22  8  30 o 33.41735 0.6305595 11.16966       0.4209535 10.80589       0.5787221 11.57838       0.6134293 -1.152069      1.261119  
1 1 1 22  8  31 o 27.95062 0.6457484 7.795660       0.3600993 7.368167       0.4887992 8.303048       0.5325199 -1.667400      1.291497  
1 1 1 22  8  32 o 23.01814 0.6911685 5.339067       0.3158616 6.061389       0.4457378 4.610501       0.4476600 3.151857       1.382337  
1 1 1 22  8  33 o 42.54420 0.6686214 18.12363       0.5685866 18.86641       0.8204837 17.43735       0.7886655 1.675339       1.337243  
1 1 1 22  8  34 o 27.34778 1.105834  7.473906       0.6014372 8.060719       0.9109903 7.020517       0.8007541 1.877039       2.211668  
1 1 1 22  8  35 o 12.26962 1.097135  1.575999       0.2585523 1.838902       0.3419656 1.225141       0.3950482 2.513739       2.194271  
1 1 1 22  8  36 o 14.71914 0.9327298 2.135031       0.2709092 1.712758       0.3581286 2.699905       0.4142072 -3.341615      1.865460  
1 1 1 22  8  37 o 36.38351 0.6724119 13.28033       0.4889643 13.91437       0.6945662 12.65738       0.6884740 1.726429       1.344824  
1 1 1 22  8  38 o 22.20575 0.7483272 4.985642       0.3296960 5.599703       0.4606159 4.340532       0.4721180 2.837351       1.496654  
1 1 1 22  8  39 f 34.91291 1.307020  0.000000       0.000000  ?              ?         12.26397       0.9126376 ?              ?         
1 1 1 22  9  0  o 46.10382 0.9808050 21.15006       0.9012564 19.79701       1.214424  22.80881       1.344637  -3.261765      1.961610  
1 1 1 22  9  1  o 112.4096 1.754772  126.2509       3.932540  133.0881       5.849600  120.6126       5.312079  5.513626       3.509545  
1 1 1 22  9  2  o 41.15351 0.9558983 16.92073       0.7859880 17.75587       1.142433  16.17015       1.083053  1.924301       1.911797  
1 1 1 22  9  3  o 79.20721 1.322448  62.86783       2.094820  62.61634       2.943891  63.12579       2.981514  -0.3194656     2.644896  
1 1 1 22  9  4  o 20.86683 1.572501  4.361008       0.6562623 4.361008       0.6562623 ?              ?         ?              ?         
1 1 1 22  9  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  9  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  9  7  o 107.9599 2.404414  0.000000       0.000000  ?              ?         117.0125       5.191604  ?              ?         
1 1 1 22  9  8  o 29.61475 1.013019  8.757579       0.5946199 10.47712       0.8681797 7.238241       0.8160757 5.465714       2.026039  
1 1 1 22  9  9  o 112.7810 1.765897  127.7363       3.981817  125.9780       5.544808  129.6085       5.721633  -1.593071      3.531794  
1 1 1 22  9  10 o 85.28743 1.402482  72.86066       2.390074  75.16486       3.472131  70.78560       3.294975  2.553886       2.804964  
1 1 1 22  9  11 f 61.39463 1.129724  37.76948       1.387113  37.81734       1.952773  37.72074       1.970698  0.7980728E-01  2.259449  
1 1 1 22  9  12 o 70.77045 1.229961  50.20095       1.740683  50.91311       2.485673  49.51563       2.438402  0.9838791      2.459922  
1 1 1 22  9  13 o 93.90836 1.516577  88.53746       2.847744  87.40810       3.976648  89.72629       4.079975  -1.224014      3.033154  
1 1 1 22  9  14 o 37.38084 0.9895679 13.94169       0.7365635 15.91669       1.077096  12.20680       1.009502  4.957607       1.979136  
1 1 1 22  9  15 o 12.37507 0.5946591 1.571372       0.1403329 2.151120       0.2008490 1.018402       0.1961557 4.576426       1.189318  
1 1 1 22  9  16 f 110.0692 1.203332  121.4605       2.647848  119.4137       3.680011  123.6576       3.812762  -1.915817      2.406663  
1 1 1 22  9  17 o 46.40492 0.8429878 20.94577       0.6951984 22.93175       1.365021  20.25023       0.8078141 2.851402       1.685976  
1 1 1 22  9  18 o 54.31433 1.072484  29.57863       1.164747  29.37014       1.627130  29.79773       1.668035  -0.3898163     2.144969  
1 1 1 22  9  19 o 39.75322 0.8302851 16.48672       0.5950359 17.46426       0.7147233 14.27882       1.074141  4.033417       1.660570  
1 1 1 22  9  20 o 14.15001 0.6535102 1.978814       0.1836215 1.791050       0.2426483 2.230422       0.2808886 -1.549981      1.307020  
1 1 1 22  9  21 o 46.32890 0.6523900 21.45847       0.6040320 22.43939       0.8743717 20.56299       0.8354195 2.022396       1.304780  
1 1 1 22  9  22 o 37.26612 0.6929410 13.76522       0.4989702 13.37212       0.6250080 14.45609       0.8285734 -1.438663      1.385882  
1 1 1 22  9  23 f 15.17963 1.108442  1.811616       0.2463423 1.619458       0.2636382 3.133636       0.6915091 -4.930734      2.216883  
1 1 1 22  9  24 o 18.80378 0.6557781 3.557573       0.2453061 3.745197       0.3358785 3.343088       0.3591166 1.071163       1.311556  
1 1 1 22  9  25 o 20.00644 0.6451728 3.954012       0.2563549 3.516190       0.3396034 4.533960       0.3908568 -2.539154      1.290346  
1 1 1 22  9  26 o 13.99419 0.7966767 2.023706       0.2154772 2.281577       0.2830957 1.668558       0.3322290 2.195524       1.593353  
1 1 1 22  9  27 o 31.39291 0.6130760 9.882369       0.3844396 10.21321       0.5365817 9.533422       0.5510670 1.084009       1.226152  
1 1 1 22  9  28 o 23.21016 0.6556964 5.260993       0.3003970 4.535736       0.3889616 6.332952       0.4728786 -3.863375      1.311393  
1 1 1 22  9  29 o 11.02242 1.165894  1.280911       0.2358998 1.380107       0.2963038 1.109197       0.3898458 1.406786       2.331789  
1 1 1 22  9  30 o 37.08105 0.6611798 13.80242       0.4892996 13.36712       0.7086518 14.19903       0.6764212 -1.125496      1.322360  
1 1 1 22  9  31 o 30.10033 0.6278447 9.057893       0.3775420 8.576504       0.5200685 9.594237       0.5489516 -1.687347      1.255689  
1 1 1 22  9  32 o 18.04332 0.9729112 3.327529       0.3341127 3.084206       0.5557976 3.465214       0.4180887 -1.080671      1.945822  
1 1 1 22  9  33 o 59.66742 1.035791  35.87936       1.205601  36.10237       1.546081  35.53338       1.925710  0.5547066      2.071582  
1 1 1 22  9  34 f 32.78770 0.6564143 10.78004       0.4304007 10.88393       0.6062746 10.67449       0.6111113 0.3200722      1.312829  
1 1 1 22  9  35 o 31.63744 0.6609370 10.00504       0.4175317 9.456006       0.5713376 10.63435       0.6116825 -1.856386      1.321874  
1 1 1 22  9  36 f 66.52376 0.8350577 44.42487       1.110502  45.46415       1.600710  43.46054       1.541914  1.494545       1.670115  
1 1 1 22  9  37 o 13.18656 1.011514  1.729957       0.2646384 1.589223       0.3484202 1.921847       0.4068461 -1.246300      2.023028  
1 1 1 22  9  38 o 24.77198 0.7774801 6.157615       0.3763180 6.140739       0.4828807 6.183717       0.6005449 -0.6447029E-01 1.554960  
1 1 1 22  10 0  o 30.44440 1.002086  9.137252       0.6013613 11.63963       0.9085851 7.186479       0.8022190 7.309149       2.004172  
1 1 1 22  10 1  o 26.71152 1.008085  7.140405       0.5370963 7.875295       0.7712053 6.448254       0.7484436 2.670212       2.016170  
1 1 1 22  10 2  o 23.14801 1.046790  5.350003       0.4838842 4.996585       0.6648814 5.747991       0.7055602 -1.621147      2.093579  
1 1 1 22  10 3  o 27.85920 0.9876489 7.787150       0.5491430 8.145498       0.7646043 7.405387       0.7891899 1.329405       1.975298  
1 1 1 22  10 4  o 92.01128 1.490321  84.77599       2.738982  82.48271       3.760647  87.36681       3.997174  -2.637741      2.980642  
1 1 1 22  10 5  o 13.57731 1.613238  1.866757       0.4209173 1.403426       0.5688280 2.427497       0.6257721 -3.963732      3.226477  
1 1 1 22  10 6  f 105.0115 2.347082  110.7014       4.929411  110.7014       4.929411  ?              ?         ?              ?         
1 1 1 22  10 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  10 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  10 9  o 87.94858 2.043453  0.000000       0.000000  ?              ?         77.59977       3.594377  ?              ?         
1 1 1 22  10 10 o 57.16380 1.095325  32.73899       1.252112  32.66929       1.756459  32.81102       1.785402  -0.1221619     2.190651  
1 1 1 22  10 11 o 23.58872 1.098753  5.576002       0.5161038 6.289731       0.7413732 4.904876       0.7189072 2.933918       2.197507  
1 1 1 22  10 12 o 50.11606 1.043588  25.16419       1.045701  25.01484       1.459288  25.32183       1.499208  -0.3034859     2.087176  
1 1 1 22  10 13 o 48.37702 1.035297  23.42089       1.000868  24.76274       1.443712  22.17923       1.388768  2.666191       2.070593  
1 1 1 22  10 14 o 51.05632 1.054034  26.01649       1.073222  24.76433       1.452407  27.52247       1.592824  -2.690651      2.108067  
1 1 1 22  10 15 o 28.34441 1.049893  8.075290       0.5918881 9.112654       0.8413481 7.058826       0.8328292 3.622309       2.099785  
1 1 1 22  10 16 o 24.87576 1.106619  6.209337       0.5479954 7.012955       0.7855489 5.447549       0.7648314 3.144569       2.213238  
1 1 1 22  10 17 o 58.36314 1.125076  34.16338       1.312910  33.96542       1.833386  34.37175       1.881000  -0.3434563     2.250152  
1 1 1 22  10 18 o 38.62761 0.5913002 14.90557       0.4562122 14.39072       0.6259445 15.48895       0.6663084 -1.419327      1.182600  
1 1 1 22  10 19 o 78.15086 0.9032763 61.21973       1.411828  61.15958       1.992817  61.28035       2.000458  -0.7655334E-01 1.806553  
1 1 1 22  10 20 o 5.594158 1.129056  0.3181700      0.1304766 0.3046726      0.1681160 0.3386152      0.2069098 -0.3311267     2.258113  
1 1 1 22  10 21 f 61.97200 0.7682454 38.46811       0.9520800 39.02100       1.359339  37.93570       1.333910  0.8734779      1.536491  
1 1 1 22  10 22 o 7.169902 1.065352  0.5608535      0.1495401 0.7305961      0.1984947 0.3380663      0.2274043 2.735888       2.130703  
1 1 1 22  10 23 o 27.25043 0.5820906 7.401043       0.3165009 6.919510       0.4302903 7.968688       0.4671820 -1.922354      1.164181  
1 1 1 22  10 24 o 32.15275 0.5958340 10.34971       0.3830169 10.74290       0.5457588 9.968089       0.5376672 1.204245       1.191668  
1 1 1 22  10 25 o 26.65324 0.5959616 7.091666       0.3171707 6.714965       0.4338834 7.523973       0.4648058 -1.515133      1.191923  
1 1 1 22  10 26 f 5.686851 1.208648  0.3277625      0.1653039 0.4979677      0.2115778 0.6107773E-01  0.2648396 2.431958       2.417295  
1 1 1 22  10 27 o 27.68237 0.6136563 7.602314       0.3378090 7.018908       0.4493205 8.360803       0.5123239 -2.418030      1.227313  
1 1 1 22  10 28 f 24.13834 0.6318438 5.853119       0.3040636 6.094828       0.4193260 5.585104       0.4415567 1.058096       1.263688  
1 1 1 22  10 29 o 50.29580 0.7044669 25.34978       0.7084079 25.02234       0.9870886 25.69755       1.017273  -0.6675110     1.408934  
1 1 1 22  10 30 f 34.76629 0.7768291 12.12227       0.5396144 12.09863       0.7463660 12.14817       0.7810768 -0.6649017E-01 1.553658  
1 1 1 22  10 31 o 30.64593 1.556279  0.000000       0.000000  ?              ?         9.450999       0.9538719 ?              ?         
1 1 1 22  10 32 o 56.88561 0.7506266 32.45618       0.8539134 32.87216       1.218078  32.05420       1.197418  0.7158813      1.501253  
1 1 1 22  10 33 o 14.55819 0.8448648 2.120267       0.2438160 2.070278       0.3222835 2.187166       0.3728283 -0.3925810     1.689730  
1 1 1 22  10 34 o 31.58416 0.6414849 9.980872       0.4047455 10.65435       0.5866486 9.369085       0.5591351 2.030735       1.282970  
1 1 1 22  10 35 o 14.31526 0.9067183 2.076777       0.2574670 2.273257       0.3544065 1.857193       0.3746640 1.457348       1.813437  
1 1 1 22  10 36 o 36.41122 0.6670691 13.26889       0.4852243 12.52968       0.6687970 14.09044       0.7050597 -2.137329      1.334138  
1 1 1 22  10 37 o 26.83592 0.6857197 7.232085       0.3676833 7.471478       0.5149098 6.983021       0.5252087 0.9118156      1.371439  
1 1 1 22  10 38 o 26.32284 1.278983  0.000000       0.000000  ?              ?         6.969975       0.6733293 ?              ?         
1 1 1 22  11 0  o 84.29025 1.395056  71.10176       2.348454  69.04454       3.219828  73.44016       3.432828  -2.593994      2.790112  
1 1 1 22  11 1  o 44.63645 1.006961  19.65606       0.8917944 17.62031       1.174726  22.42512       1.370064  -5.373123      2.013921  
1 1 1 22  11 2  o 106.3138 1.680045  113.4289       3.571642  112.3971       4.997153  114.5065       5.106761  -0.9834595     3.360089  
1 1 1 22  11 3  o 66.23438 1.185034  43.95419       1.569790  44.12613       2.219984  43.78223       2.220053  0.2596054      2.370068  
1 1 1 22  11 4  o 114.0903 1.787941  130.7536       4.079726  131.0193       5.775504  130.4890       5.763723  0.2313766      3.575882  
1 1 1 22  11 5  o 79.93254 1.344626  63.84876       2.143967  61.29747       2.908070  66.88670       3.173320  -3.477722      2.689252  
1 1 1 22  11 6  o 76.02895 1.298922  57.86825       1.972823  56.32897       2.712600  59.59665       2.874414  -2.137749      2.597844  
1 1 1 22  11 7  o 43.64423 1.008170  18.96619       0.8769284 17.78746       1.181165  20.41385       1.308990  -3.001835      2.016340  
1 1 1 22  11 8  f 61.97395 1.613549  38.48695       1.999960  38.48695       1.999960  ?              ?         ?              ?         
1 1 1 22  11 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  11 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  11 11 f 68.14151 1.727495  0.000000       0.000000  ?              ?         46.56844       2.354282  ?              ?         
1 1 1 22  11 12 o 11.03243 1.941589  1.245603       0.4363294 0.8298236      0.5919022 1.740447       0.6457316 -3.784151      3.883178  
1 1 1 22  11 13 o 76.69997 1.316353  59.03416       2.019259  59.45128       2.862039  58.62074       2.849330  0.5402298      2.632707  
1 1 1 22  11 14 o 21.53164 1.236717  4.668650       0.5290565 4.816900       0.7152289 4.489523       0.7861935 0.7670670      2.473434  
1 1 1 22  11 15 o 69.53519 1.238190  48.48721       1.721086  49.71394       2.482712  47.35227       2.388015  1.688423       2.476379  
1 1 1 22  11 16 o 28.79347 1.086746  8.335495       0.6241775 8.713943       0.8653955 7.925150       0.9011292 1.373140       2.173492  
1 1 1 22  11 17 o 21.46019 1.250488  4.618382       0.5334129 4.568419       0.7139974 4.681490       0.8024449 -0.2529335     2.500977  
1 1 1 22  11 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  11 19 o 18.99170 1.423335  3.694656       0.5296564 4.403822       0.7347548 2.927495       0.7642077 3.891106       2.846671  
1 1 1 22  11 20 o 45.37199 0.6346555 20.61140       0.5758967 20.81703       0.8171051 20.40844       0.8118029 0.4498863      1.269311  
1 1 1 22  11 21 o 57.56370 0.7312211 33.15225       0.8411092 34.19220       1.220848  32.21263       1.160464  1.714241       1.462442  
1 1 1 22  11 22 o 52.65385 0.6957952 27.76331       0.7325464 27.39870       1.022416  28.14793       1.050093  -0.7090416     1.391590  
1 1 1 22  11 23 o 50.29657 0.6816977 25.31704       0.6852236 24.74103       0.9471000 25.94972       0.9926057 -1.197433      1.363395  
1 1 1 22  11 24 o 10.05998 0.8056651 1.012205       0.1607065 0.9970319      0.2129871 1.032263       0.2448831 -0.1716003     1.611330  
1 1 1 22  11 25 f 24.42210 0.5905644 5.968618       0.2881658 5.884189       0.3975081 6.062134       0.4183459 -0.3625488     1.181129  
1 1 1 22  11 26 f 24.39159 0.6116643 5.963796       0.2979655 6.066409       0.4126658 5.852025       0.4306851 0.4410801      1.223329  
1 1 1 22  11 27 o 41.56553 0.6485791 17.30957       0.5391269 17.32083       0.7577600 17.29804       0.7672088 0.2838135E-01  1.297158  
1 1 1 22  11 28 o 33.77526 0.6270984 11.37131       0.4220562 12.83779       0.6197889 10.10327       0.5763329 4.043388       1.254197  
1 1 1 22  11 29 o 5.679614 1.739089  -0.4876917E-01 0.2542697 0.2425119      0.6977370 -0.9337585E-01 0.2730459 3.475397       3.478179  
1 1 1 22  11 30 o 13.19691 1.725571  2.137137       0.2868477 2.252697       0.3076364 1.367757       0.7937887 3.583717       3.451142  
1 1 1 22  11 31 o 41.19729 0.8238637 16.85706       0.6739252 15.63126       0.8903900 18.50118       1.031184  -3.460449      1.647727  
1 1 1 22  11 32 o 39.79816 0.7572233 15.92572       0.5995536 15.52609       0.8885686 16.25972       0.8123431 -0.9333191     1.514447  
1 1 1 22  11 33 f 35.28284 0.6447157 12.46411       0.4545689 13.18327       0.6557695 11.79892       0.6306792 1.958168       1.289431  
1 1 1 22  11 34 o 15.36897 0.8108256 2.349960       0.2476377 2.189431       0.3284028 2.561557       0.3770382 -1.201863      1.621651  
1 1 1 22  11 35 o 22.66805 0.6786870 5.129458       0.3068761 4.814294       0.4159569 5.505882       0.4545881 -1.519249      1.357374  
1 1 1 22  11 36 o 45.90475 0.6968206 21.10748       0.6390964 20.32158       0.8798783 21.98513       0.9298263 -1.803219      1.393641  
1 1 1 22  11 37 o 9.532713 1.406134  0.9713095      0.2578704 1.087543       0.3322652 0.7952572      0.4089208 1.698449       2.812268  
1 1 1 22  12 0  o 98.30461 1.582324  96.14899       3.090429  90.28973       4.096517  103.8883       4.708074  -6.869682      3.164647  
1 1 1 22  12 1  o 28.54243 1.044496  8.121908       0.5948510 7.587764       0.8087744 8.751365       0.8779724 -2.034782      2.088993  
1 1 1 22  12 2  o 49.85443 1.046283  24.87701       1.042745  24.36653       1.447835  25.42716       1.503042  -1.060760      2.092566  
1 1 1 22  12 3  o 15.27955 1.477594  2.340535       0.4511955 2.301334       0.6239761 2.383493       0.6532003 -0.2665834     2.955188  
1 1 1 22  12 4  o 103.4894 1.651459  107.4759       3.416711  109.8113       4.920440  105.3012       4.748086  2.163765       3.302918  
1 1 1 22  12 5  o 33.89773 1.014280  11.47155       0.6854265 11.07329       0.9265946 11.95283       1.018604  -1.292244      2.028560  
1 1 1 22  12 6  o 12.71844 1.774000  1.666185       0.4419785 1.917335       0.6233748 1.412313       0.6267430 2.200952       3.548001  
1 1 1 22  12 7  o 43.90122 1.021556  19.20549       0.8940941 18.08564       1.206923  20.56752       1.331051  -2.819214      2.043113  
1 1 1 22  12 8  o 44.08170 1.015589  19.45876       0.8948836 20.39027       1.279374  18.56642       1.252177  2.066982       2.031178  
1 1 1 22  12 9  o 77.18668 1.320776  59.36915       2.028734  55.92955       2.709812  63.75563       3.060155  -5.038025      2.641552  
1 1 1 22  12 10 o 21.21128 1.712644  4.512300       0.7265474 4.512300       0.7265474 ?              ?         ?              ?         
1 1 1 22  12 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  12 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  12 13 o 16.79718 2.208260  0.000000       0.000000  ?              ?         2.837189       0.7418509 ?              ?         
1 1 1 22  12 14 o 55.90858 1.120744  31.31174       1.252007  30.47939       1.725860  32.23638       1.819022  -1.562473      2.241488  
1 1 1 22  12 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  12 16 f 45.91779 1.064005  21.15028       0.9768711 21.14869       1.365716  21.15195       1.397854  -0.2098083E-03 2.128011  
1 1 1 22  12 17 o 18.86382 1.454342  3.555300       0.5455681 3.358729       0.7264826 3.809538       0.8262001 -1.179836      2.908684  
1 1 1 22  12 18 o 28.85978 1.132362  8.334840       0.6521570 7.988343       0.8872373 8.742067       0.9618534 -1.296869      2.264723  
1 1 1 22  12 19 o 52.95618 1.107451  28.03243       1.169682  26.60909       1.583839  29.74007       1.734811  -2.937447      2.214901  
1 1 1 22  12 20 o 26.01608 1.209881  6.835159       0.6242434 7.879993       0.8853084 5.802022       0.8803396 3.992918       2.419761  
1 1 1 22  12 21 f 51.42365 1.105306  26.54185       1.136289  25.98186       1.578939  27.14344       1.636519  -1.121376      2.210612  
1 1 1 22  12 22 o 21.90636 1.306750  4.771091       0.5689603 4.184208       0.7594916 5.521680       0.8589125 -3.035368      2.613500  
1 1 1 22  12 23 o 23.46707 0.5452645 5.484177       0.2551665 5.134663       0.3451371 5.905525       0.3789479 -1.639915      1.090529  
1 1 1 22  12 24 o 28.96066 0.5709424 8.400257       0.3305928 8.635345       0.4671962 8.164498       0.4678621 0.8129635      1.141885  
1 1 1 22  12 25 f 20.08980 0.5978040 4.056133       0.2392820 4.263530       0.3300373 3.826310       0.3474236 1.089684       1.195608  
1 1 1 22  12 26 o 39.79956 0.6300815 15.86099       0.5014067 16.36889       0.7169667 15.37479       0.7014791 1.247341       1.260163  
1 1 1 22  12 27 o 23.79745 1.036934  5.837080       0.3808211 5.466165       0.8766237 5.923362       0.4228004 -1.036192      2.073869  
1 1 1 22  12 28 f 8.974245 2.205272  0.5520312      0.5338520 -0.7804769E-01 0.7211225 1.316100       0.7941046 -4.499124      4.410543  
1 1 1 22  12 29 o 44.91949 0.6723007 20.20802       0.6037334 20.99340       0.8670743 19.46894       0.8411323 1.693748       1.344601  
1 1 1 22  12 30 o 30.14218 0.6283455 9.087951       0.3780259 8.852339       0.5157638 9.361448       0.5556840 -0.8396702     1.256691  
1 1 1 22  12 31 f 26.06815 0.6441872 6.830649       0.3345030 7.064855       0.4578972 6.562636       0.4898334 0.9673920      1.288374  
1 1 1 22  12 32 o 32.64482 0.7396542 10.40301       0.4731863 9.342394       0.6007686 12.13619       0.7679821 -4.251610      1.479308  
1 1 1 22  12 33 o 26.59282 0.7061464 7.099388       0.3752455 6.911652       0.5372146 7.278256       0.5243728 -0.6912937     1.412293  
1 1 1 22  12 34 o 35.05598 0.6434341 12.30094       0.4507177 11.68307       0.6230134 12.97942       0.6528553 -1.844513      1.286868  
1 1 1 22  12 35 o 25.06369 0.6714571 6.297043       0.3356489 6.236223       0.4569233 6.368330       0.4946801 -0.2571468     1.342914  
1 1 1 22  12 36 o 22.83504 0.7409132 5.031915       0.3304823 4.340961       0.4161819 6.211263       0.5437250 -4.072073      1.481826  
1 1 1 22  13 0  f 53.02846 1.071303  28.14940       1.135802  29.06816       1.630382  27.28307       1.583191  1.680462       2.142607  
1 1 1 22  13 1  o 50.45927 1.061456  25.28589       1.065343  23.50921       1.418818  27.58229       1.613048  -4.024906      2.122911  
1 1 1 22  13 2  o 53.53166 1.079052  28.70971       1.154861  28.78100       1.613021  28.63473       1.654199  0.1390343      2.158104  
1 1 1 22  13 3  o 31.66630 1.086708  9.998489       0.6782168 12.54323       0.9993014 7.825322       0.9234676 7.444889       2.173416  
1 1 1 22  13 4  o 59.57837 1.139565  35.56456       1.357756  36.11602       1.934341  35.02898       1.906280  0.9104424      2.279129  
1 1 1 22  13 5  o 35.50178 1.023708  12.61131       0.7263839 12.22334       1.005066  13.03555       1.050996  -1.141075      2.047415  
1 1 1 22  13 6  o 22.60577 1.181347  5.081046       0.5318648 4.558220       0.7169232 5.721020       0.7931861 -2.566139      2.362693  
1 1 1 22  13 7  o 27.19266 1.106686  7.411281       0.6013540 7.395910       0.8328910 7.428018       0.8691536 -0.5628967E-01 2.213372  
1 1 1 22  13 8  o 56.37236 1.120408  31.67845       1.258581  29.86131       1.693737  33.91894       1.880715  -3.584225      2.240817  
1 1 1 22  13 9  o 56.62886 1.127239  32.15121       1.276582  32.36005       1.797701  31.93876       1.813118  0.3731956      2.254478  
1 1 1 22  13 10 o 70.06749 1.256335  48.88259       1.750960  45.89801       2.333066  52.73157       2.649464  -4.847252      2.512671  
1 1 1 22  13 11 o 15.47182 1.732102  2.529613       0.5051718 3.055123       0.6865868 1.909320       0.7459397 3.938458       3.464204  
1 1 1 22  13 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  13 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  13 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  13 15 o 42.71374 1.089548  18.26546       0.9295190 17.53790       1.274667  19.09173       1.358402  -1.809662      2.179096  
1 1 1 22  13 16 o 21.92884 1.267180  4.800365       0.5537401 4.469926       0.7453567 5.207398       0.8272424 -1.670647      2.534360  
1 1 1 22  13 17 o 17.37560 1.567478  3.079092       0.5317477 3.891621       0.7588275 2.295143       0.7453629 4.591801       3.134956  
1 1 1 22  13 18 o 35.02078 1.090552  12.31038       0.7635825 12.26365       1.065218  12.35977       1.095141  -0.1335068     2.181103  
1 1 1 22  13 19 o 35.70962 1.076683  12.80606       0.7686116 13.24783       1.086928  12.36419       1.087033  1.237274       2.153367  
1 1 1 22  13 20 o 14.17124 1.948274  2.173450       0.5288596 2.693131       0.7079632 1.517296       0.7955091 4.340489       3.896549  
1 1 1 22  13 21 f 34.37491 1.102800  11.83966       0.7563449 11.44818       1.028098  12.30147       1.116647  -1.228020      2.205599  
1 1 1 22  13 22 o 33.16563 1.130232  11.06367       0.7490220 11.47583       1.052042  10.63997       1.066663  1.262394       2.260464  
1 1 1 22  13 23 f 42.22788 1.098273  17.90318       0.9270369 18.40131       1.338685  17.44419       1.285017  1.124790       2.196545  
1 1 1 22  13 24 o 42.50657 1.107960  18.16185       0.9417810 18.50891       1.331861  17.81477       1.331898  0.8165131      2.215920  
1 1 1 22  13 25 o 42.03381 0.7089551 17.73252       0.5850967 17.57760       0.9174545 17.83873       0.7596168 -0.3281403     1.417910  
1 1 1 22  13 26 o 35.85699 1.140785  12.90051       0.8168868 12.13408       1.120611  13.76963       1.193319  -2.266338      2.281571  
1 1 1 22  13 27 o 39.79978 0.6310368 15.87229       0.5022403 16.18972       0.7113548 15.55678       0.7092001 0.7949295      1.262074  
1 1 1 22  13 28 o 42.25224 0.6520290 17.76868       0.5488759 16.51692       0.7377902 19.32013       0.8213756 -3.307446      1.304058  
1 1 1 22  13 29 o 54.43737 0.7345424 29.72095       0.7997047 29.69877       1.126189  29.74352       1.135778  -0.3974152E-01 1.469085  
1 1 1 22  13 30 o 25.87077 1.099722  7.236598       0.4197680 7.505986       0.4635510 6.009231       0.9894530 2.997116       2.199444  
1 1 1 22  13 31 o 13.50208 0.8368238 1.917172       0.2150794 2.413734       0.2919563 1.327872       0.3180530 4.025661       1.673648  
1 1 1 22  13 32 o 19.26856 0.6860986 3.746808       0.2625336 3.980941       0.3581449 3.474878       0.3859720 1.317368       1.372197  
1 1 1 22  13 33 o 17.50645 0.8358976 3.213521       0.2797989 3.970024       0.3782547 2.299408       0.4157949 4.778370       1.671795  
1 1 1 22  13 34 o 24.73021 0.7063693 6.120695       0.3487186 5.625956       0.4805350 6.671085       0.5068412 -2.108416      1.412739  
1 1 1 22  13 35 f 26.54327 0.6522846 7.061986       0.3460364 6.960753       0.4791623 7.172328       0.5002578 -0.3951893     1.304569  
1 1 1 22  13 36 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  14 0  o 10.33309 2.017115  1.083685       0.4279015 0.9307560      0.5624413 1.293840       0.6593300 -1.602629      4.034230  
1 1 1 22  14 1  o 49.35795 1.059637  24.40441       1.045797  25.12760       1.486954  23.69653       1.471132  1.448719       2.119274  
1 1 1 22  14 2  f 40.76512 1.041959  16.53771       0.8460143 18.78123       1.250547  14.64439       1.148807  5.067619       2.083919  
1 1 1 22  14 3  o 79.36177 1.358386  63.19139       2.155959  63.21019       3.033333  63.17218       3.064884  0.2666473E-01  2.716771  
1 1 1 22  14 4  o 48.45200 1.070444  23.44508       1.034618  22.45369       1.403357  24.62556       1.531349  -2.232052      2.140888  
1 1 1 22  14 5  o 9.921944 1.973143  0.9242736      0.4699056 1.722893       0.6644282 0.1250832      0.6646656 5.841008       3.946287  
1 1 1 22  14 6  o 71.09389 1.270255  50.59722       1.803410  48.84643       2.469173  52.59898       2.640224  -2.623901      2.540511  
1 1 1 22  14 7  o 24.32565 1.247347  6.014727       0.5980251 6.988760       0.8309218 4.967999       0.8613704 4.156197       2.494694  
1 1 1 22  14 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  14 9  o 54.08157 1.127751  29.32602       1.219381  29.12649       1.699522  29.53771       1.750539  -0.3756065     2.255502  
1 1 1 22  14 10 o 90.44997 1.503554  82.16055       2.717355  80.38423       3.747222  84.13065       3.946347  -2.046112      3.007107  
1 1 1 22  14 11 o 33.34469 1.104798  11.02234       0.7324271 9.893244       0.9748432 12.48586       1.109858  -3.874706      2.209597  
1 1 1 22  14 12 o 54.67825 1.129452  29.83461       1.231003  28.10091       1.659969  31.95309       1.834956  -3.504463      2.258905  
1 1 1 22  14 13 o 59.19460 1.171902  34.80534       1.378697  31.99926       1.828747  38.50039       2.098518  -5.460068      2.343803  
1 1 1 22  14 14 o 18.23318 2.100281  3.346037       0.7658961 3.346037       0.7658961 ?              ?         ?              ?         
1 1 1 22  14 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  14 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  14 17 o 11.85575 2.024775  1.491263       0.5123519 2.134230       0.6979899 0.7400718      0.7544493 5.368208       4.049549  
1 1 1 22  14 18 o 20.66073 1.559103  4.496959       0.5988091 6.406123       0.8498610 2.614668       0.8438588 9.174440       3.118206  
1 1 1 22  14 19 o 35.34040 1.134087  12.55738       0.7992500 13.80403       1.140145  11.35283       1.120726  3.465111       2.268175  
1 1 1 22  14 20 o 32.77615 1.150041  10.83230       0.7499951 12.10492       1.061432  9.563402       1.059877  3.876841       2.300082  
1 1 1 22  14 21 o 39.27725 1.116679  15.49334       0.8745227 17.18750       1.256840  13.90328       1.217616  4.174786       2.233358  
1 1 1 22  14 22 f 58.35149 1.186386  34.02160       1.379704  37.06776       2.058270  31.53601       1.859263  4.705708       2.372772  
1 1 1 22  14 23 f 27.45387 1.272858  7.544584       0.6960934 7.128197       0.9348847 8.062626       1.042779  -1.681530      2.545716  
1 1 1 22  14 24 f 49.05164 1.136091  24.12501       1.112790  25.79035       1.627327  22.66235       1.525088  3.169907       2.272183  
1 1 1 22  14 25 o 23.89401 1.349961  5.760247       0.6450453 5.878935       0.9149879 5.642979       0.9095004 0.4924698      2.699923  
1 1 1 22  14 26 f 23.56865 1.397583  5.606872       0.6586347 5.447818       0.9223472 5.772365       0.9408280 -0.6839619     2.795165  
1 1 1 22  14 27 o 22.87345 0.5636978 5.099524       0.2539775 4.098332       0.3314930 6.522555       0.3952055 -5.292770      1.127396  
1 1 1 22  14 28 o 29.30243 0.5872920 8.587736       0.3438784 8.234436       0.4745173 8.978503       0.4990444 -1.266859      1.174584  
1 1 1 22  14 29 o 53.58102 0.7302799 28.70562       0.7808890 27.49567       1.062632  30.12614       1.151388  -2.441704      1.460560  
1 1 1 22  14 30 f 25.18062 0.6119056 6.354802       0.3076563 6.346209       0.4230020 6.364453       0.4482810 -0.3284264E-01 1.223811  
1 1 1 22  14 31 o 63.12014 0.8074679 39.98814       1.019008  39.44633       1.419336  40.56449       1.463886  -0.8778152     1.614936  
1 1 1 22  14 32 o 32.35138 0.6360598 10.50062       0.4112512 10.88737       0.5790799 10.10707       0.5841473 1.206707       1.272120  
1 1 1 22  14 33 f 10.88334 0.9794276 1.192526       0.2095321 1.192853       0.2723662 1.192053       0.3279656 0.1714611E-01  1.958855  
1 1 1 22  14 34 o 18.68186 2.263092  2.791728       0.5984131 5.160340       1.692784  2.453453       0.6397188 6.263580       4.526184  
1 1 1 22  14 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  15 0  o 33.04462 1.061309  10.93337       0.7008150 10.73421       0.9679174 11.15282       1.016037  -0.6300201     2.122618  
1 1 1 22  15 1  f 59.39327 1.481505  35.94640       1.653588  37.01530       2.035081  33.86941       2.836814  2.728287       2.963010  
1 1 1 22  15 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  15 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  15 4  o 40.87363 1.064385  16.71485       0.8689493 17.97723       1.255665  15.55473       1.203739  2.959530       2.128770  
1 1 1 22  15 5  o 18.94918 1.419425  3.603973       0.5375260 3.411129       0.7521073 3.805321       0.7685112 -1.038446      2.838851  
1 1 1 22  15 6  o 56.85514 1.148025  32.33652       1.303785  34.34116       1.899215  30.54979       1.793024  3.324860       2.296049  
1 1 1 22  15 7  o 6.959270 2.054652  0.8409955E-01  0.4768870 -0.3785989E-02 0.6499516 0.1865888      0.7018779 -0.7435784     4.109303  
1 1 1 22  15 8  o 22.55352 1.277869  5.119003       0.5744998 5.295864       0.7896935 4.920161       0.8373281 0.8380089      2.555737  
1 1 1 22  15 9  o 57.95019 1.159227  33.67662       1.343185  34.72731       1.922743  32.67514       1.877179  1.766029       2.318455  
1 1 1 22  15 10 o 29.28178 1.151818  8.550602       0.6724200 7.781253       0.9118406 9.467702       0.9955555 -2.870819      2.303635  
1 1 1 22  15 11 o 42.60423 1.081243  18.19892       0.9205721 17.94101       1.272928  18.48170       1.332914  -0.6281548     2.162487  
1 1 1 22  15 12 o 71.12679 1.288411  50.72289       1.829590  49.03599       2.499733  52.66920       2.685059  -2.529305      2.576823  
1 1 1 22  15 13 o 33.70044 1.127894  11.39950       0.7575228 12.71225       1.086850  10.15930       1.056397  3.784107       2.255788  
1 1 1 22  15 14 o 58.32757 1.172059  34.14841       1.366750  35.49578       1.954977  32.86031       1.911509  2.253635       2.344118  
1 1 1 22  15 15 f 8.909889 2.242965  0.6758135      0.5166968 0.9536546      0.7040904 0.3515684      0.7606184 1.798493       4.485930  
1 1 1 22  15 16 o 37.83619 1.563618  14.37556       1.183227  14.37556       1.183227  ?              ?         ?              ?         
1 1 1 22  15 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  15 18 o 36.96532 1.633199  0.000000       0.000000  ?              ?         13.73313       1.207435  ?              ?         
1 1 1 22  15 19 o 91.97514 1.544793  85.10114       2.835258  89.28550       4.183638  81.54700       3.855728  4.137848       3.089586  
1 1 1 22  15 20 o 51.01928 1.149935  26.17051       1.173174  26.40079       1.648473  25.93418       1.669973  0.4607849      2.299870  
1 1 1 22  15 21 o 81.79617 1.425941  67.34965       2.330334  70.08760       3.390955  64.89941       3.207843  3.133263       2.851881  
1 1 1 22  15 22 f 31.31540 1.232616  9.900747       0.7683540 10.99565       1.086176  8.804063       1.087057  3.499382       2.465233  
1 1 1 22  15 23 o 13.20294 2.209793  1.861951       0.5754941 2.034725       0.7934964 1.670217       0.8359014 1.329887       4.419586  
1 1 1 22  15 24 o 22.15162 1.514556  5.042599       0.6553792 6.238928       0.9236122 3.829367       0.9301143 5.440477       3.029112  
1 1 1 22  15 25 o 43.85399 1.154979  19.36033       1.012785  19.89244       1.436407  18.83426       1.428216  1.204815       2.309957  
1 1 1 22  15 26 o 32.17263 1.227733  10.40838       0.7880982 11.47098       1.141270  9.439805       1.089603  3.145189       2.455467  
1 1 1 22  15 27 o 20.90403 1.631966  4.459039       0.6775876 4.984265       0.9496709 3.914387       0.9670734 2.564505       3.263932  
1 1 1 22  15 28 o 51.77086 1.191000  26.96461       1.231966  25.60848       1.699961  28.46465       1.787888  -2.737484      2.382000  
1 1 1 22  15 29 o 16.42855 0.5744171 2.710626       0.1883005 2.873703       0.2635072 2.540456       0.2691775 1.014948       1.148834  
1 1 1 22  15 30 o 56.32964 0.7513905 31.82288       0.8460892 31.27325       1.174523  32.41575       1.219866  -1.006615      1.502781  
1 1 1 22  15 31 o 35.56687 0.6267763 12.68373       0.4457549 12.99968       0.6309614 12.36891       0.6298255 0.8865623      1.253553  
1 1 1 22  15 32 o 20.95280 1.266989  4.392685       0.3672546 4.505395       0.9882025 4.374624       0.3955876 0.1401634      2.533978  
1 1 1 22  15 33 f 7.623824 2.300406  -0.1458958     0.6477274 -0.7238307     0.8995788 0.4763227      0.9334072 -2.491902      4.600812  
1 1 1 22  15 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  16 0  o 100.6657 1.635144  101.7578       3.288840  99.40917       4.532881  104.3686       4.779126  -2.435043      3.270289  
1 1 1 22  16 1  o 54.87919 1.133829  30.19986       1.244124  30.39908       1.742338  29.99262       1.777092  0.3731422      2.267658  
1 1 1 22  16 2  o 74.10725 1.313091  54.66457       1.934729  51.18726       2.572259  59.19455       2.935899  -5.367012      2.626182  
1 1 1 22  16 3  o 36.48231 1.081861  13.33470       0.7888955 13.09462       1.093154  13.59564       1.139631  -0.6827393     2.163722  
1 1 1 22  16 4  o 62.40334 1.194709  38.89208       1.485353  37.17358       1.998545  41.01270       2.220093  -3.054546      2.389419  
1 1 1 22  16 5  o 72.06488 1.292719  52.10207       1.862527  53.59953       2.677193  50.69747       2.592853  2.004402       2.585438  
1 1 1 22  16 6  o 42.92327 1.071189  18.48143       0.9189911 18.65992       1.280589  18.29190       1.319588  0.4322853      2.142377  
1 1 1 22  16 7  o 54.28274 1.135247  29.57267       1.232023  30.08090       1.728858  29.04828       1.756150  0.9539223      2.270494  
1 1 1 22  16 8  o 41.73950 1.083757  17.46328       0.9037657 18.61667       1.296324  16.37249       1.260658  2.684666       2.167514  
1 1 1 22  16 9  o 25.28822 1.306289  6.465938       0.6450673 8.331848       0.9341913 4.765491       0.8918095 7.045986       2.612578  
1 1 1 22  16 10 o 47.09395 1.115505  22.24611       1.050055  21.88830       1.455859  22.63408       1.515970  -0.7848282     2.231009  
1 1 1 22  16 11 o 16.29132 1.788922  2.683065       0.5514100 1.845948       0.7347975 3.762149       0.8342612 -6.075760      3.577844  
1 1 1 22  16 12 f 53.09959 1.146050  28.16359       1.213125  26.57327       1.636770  30.10209       1.807082  -3.301502      2.292100  
1 1 1 22  16 13 o 52.84302 1.153680  27.93834       1.216532  26.51234       1.653893  29.61938       1.795718  -2.921124      2.307359  
1 1 1 22  16 14 o 45.33658 1.114896  20.44140       1.005047  18.85846       1.336214  22.50366       1.525156  -3.994888      2.229791  
1 1 1 22  16 15 o 8.246409 2.137718  0.4349915      0.5119108 0.9837449      0.6873575 -0.2484547     0.7670899 3.275478       4.275437  
1 1 1 22  16 16 o 79.47417 1.399636  63.15655       2.213159  59.30001       2.952835  68.09998       3.343137  -5.464279      2.799272  
1 1 1 22  16 17 o 46.25966 1.149216  21.51120       1.062807  21.63017       1.484185  21.38599       1.522624  0.2699013      2.298433  
1 1 1 22  16 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  16 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  16 20 o 102.9923 1.704790  107.3452       3.511229  107.9718       5.008043  106.7393       4.924273  0.5773926      3.409579  
1 1 1 22  16 21 o 28.54309 1.305455  8.171302       0.7428161 7.775240       1.002681  8.653093       1.105887  -1.516783      2.610911  
1 1 1 22  16 22 o 61.15314 1.241411  37.65657       1.517748  37.07471       2.111762  38.27826       2.182841  -0.9690437     2.482823  
1 1 1 22  16 23 o 10.23206 2.413677  1.020983       0.5916252 1.292866       0.7922676 0.6782549      0.8895205 1.810225       4.827354  
1 1 1 22  16 24 f 23.93983 1.409359  5.747746       0.6721734 5.334427       0.9033139 6.260559       1.006177  -1.908609      2.818717  
1 1 1 22  16 25 o 10.52688 2.370449  0.9883465      0.6284927 1.831648       0.8890717 0.1459883      0.8885742 5.134696       4.740898  
1 1 1 22  16 26 o 10.83197 2.484345  1.168230       0.6173558 0.9710923      0.8433698 1.395812       0.9061532 -1.500454      4.968689  
1 1 1 22  16 27 o 32.27820 1.292468  10.43097       0.8299834 9.089963       1.122195  12.05035       1.233188  -4.556778      2.584936  
1 1 1 22  16 28 o 30.72820 1.308602  9.545727       0.8040848 9.706161       1.134210  9.383618       1.140109  0.5265503      2.617205  
1 1 1 22  16 29 o 33.18745 1.283460  11.11797       0.8515266 10.71920       1.185494  11.54300       1.223906  -1.230251      2.566920  
1 1 1 22  16 30 o 41.30027 1.233673  17.21090       1.018345  18.11070       1.463139  16.36549       1.418225  2.100014       2.467345  
1 1 1 22  16 31 o 27.06988 1.469832  7.400259       0.7882398 6.089980       1.075342  8.921842       1.158811  -5.200188      2.939664  
1 1 1 22  16 32 o 15.24600 2.367779  2.496544       0.7044351 2.102410       0.9781098 2.921286       1.015378  -2.613475      4.735558  
1 1 1 22  16 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  17 0  o 59.78392 1.174744  35.85653       1.404523  36.34002       1.986674  35.37339       1.985919  0.8083649      2.349488  
1 1 1 22  17 1  o 84.59927 1.437655  71.86426       2.430852  70.52148       3.364938  73.32988       3.515489  -1.641808      2.875310  
1 1 1 22  17 2  o 35.40289 1.086564  12.56655       0.7685800 13.34615       1.097198  11.81545       1.076957  2.159966       2.173128  
1 1 1 22  17 3  o 62.59716 1.203246  39.01590       1.498448  36.48390       1.997953  42.27117       2.265407  -4.594532      2.406492  
1 1 1 22  17 4  o 71.44873 1.290437  51.19508       1.841651  49.93368       2.529708  52.61749       2.686317  -1.859856      2.580874  
1 1 1 22  17 5  f 34.36398 1.113002  11.69081       0.7592354 10.58691       1.001829  13.18027       1.163705  -3.756283      2.226005  
1 1 1 22  17 6  o 59.45022 1.179075  35.35265       1.397583  33.94417       1.889609  37.05360       2.076555  -2.593193      2.358151  
1 1 1 22  17 7  o 31.53708 1.176047  10.03507       0.7376491 10.60200       1.010485  9.388290       1.079298  1.932585       2.352094  
1 1 1 22  17 8  o 40.73074 1.116054  16.66356       0.9083565 17.02896       1.267424  16.27764       1.302515  0.9263992      2.232107  
1 1 1 22  17 9  o 75.75262 1.351930  57.66029       2.047422  59.15871       2.947003  56.26226       2.846590  1.897293       2.703860  
1 1 1 22  17 10 o 33.72737 1.196354  11.41389       0.7990044 13.69197       1.161051  9.364456       1.101246  6.407566       2.392709  
1 1 1 22  17 11 o 27.30235 1.275308  7.497900       0.6949227 7.559345       0.9546479 7.428642       1.013531  0.2480469      2.550617  
1 1 1 22  17 12 o 16.08802 1.947564  2.764683       0.5909995 3.611022       0.8216115 1.857253       0.8507488 5.677591       3.895127  
1 1 1 22  17 13 f 36.43476 1.149210  13.32794       0.8363114 14.31159       1.199503  12.39746       1.166628  2.622032       2.298420  
1 1 1 22  17 14 o 13.60849 2.147522  1.973885       0.5669553 2.112450       0.7549496 1.794656       0.8586071 1.187131       4.295044  
1 1 1 22  17 15 o 47.67021 1.152414  22.84190       1.097107  22.87541       1.511866  22.80462       1.594519  0.8713531E-01  2.304828  
1 1 1 22  17 16 o 35.10664 1.183697  12.41162       0.8277842 13.80272       1.178367  11.05631       1.163110  3.909050       2.367394  
1 1 1 22  17 17 o 62.02439 1.241710  38.65591       1.538224  37.72390       2.111191  39.71056       2.245796  -1.577553      2.483420  
1 1 1 22  17 18 o 26.47358 1.374006  7.098479       0.7237837 7.622406       1.001191  6.524908       1.047552  2.082096       2.748011  
1 1 1 22  17 19 o 67.63383 1.824973  46.06907       2.468598  46.06907       2.468598  ?              ?         ?              ?         
1 1 1 22  17 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  17 21 o 67.05161 2.713268  0.000000       0.000000  ?              ?         45.77696       3.638580  ?              ?         
1 1 1 22  17 22 o 26.16288 1.412104  6.959286       0.7334853 7.741879       1.022601  6.130007       1.052662  3.087885       2.824207  
1 1 1 22  17 23 o 27.31980 1.393222  7.572739       0.7542188 8.811419       1.072463  6.360662       1.060884  4.482452       2.786443  
1 1 1 22  17 24 o 49.69227 1.201737  24.85822       1.193603  24.14830       1.652811  25.63202       1.725555  -1.476322      2.403475  
1 1 1 22  17 25 o 15.76667 2.203613  2.601923       0.6673381 2.262873       0.8887124 3.040256       1.010489  -2.388684      4.407227  
1 1 1 22  17 26 o 49.23524 1.224105  24.42492       1.204634  23.45797       1.670212  25.47328       1.739096  -2.029034      2.448211  
1 1 1 22  17 27 o 15.63573 2.208730  2.559601       0.6765061 1.922634       0.9276699 3.283122       0.9886912 -4.538776      4.417459  
1 1 1 22  17 28 o 25.48519 1.531523  6.595501       0.7797070 6.962374       1.103080  6.229172       1.102265  1.438210       3.063045  
1 1 1 22  17 29 o 8.851974 2.485472  0.4743568      0.6554709 0.4770483      0.9156985 0.4715286      0.9386805 -0.6224060E-01 4.970944  
1 1 1 22  17 30 o 12.39208 2.436639  1.570707       0.6754074 2.517706       0.9806204 0.7160136      0.9316040 5.806911       4.873278  
1 1 1 22  17 31 o 56.42713 1.314199  32.21923       1.482539  33.43349       2.106648  31.02780       2.086748  2.125301       2.628399  
1 1 1 22  17 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  18 0  o 77.34090 1.363355  60.03595       2.107563  62.16854       3.046070  58.07747       2.919075  2.628891       2.726711  
1 1 1 22  18 1  o 73.75434 1.329113  54.64638       1.960048  54.26590       2.736893  55.04697       2.808340  -0.5204773     2.658226  
1 1 1 22  18 2  o 52.98449 1.150195  27.93225       1.213482  31.49358       1.813596  25.04541       1.632846  6.064430       2.300390  
1 1 1 22  18 3  o 39.41261 1.095670  15.60121       0.8624811 15.89327       1.195706  15.28442       1.245269  0.7779503      2.191340  
1 1 1 22  18 4  o 27.16761 1.246275  7.462368       0.6656887 9.213725       0.9553050 5.809215       0.9281349 6.262285       2.492550  
1 1 1 22  18 5  o 32.97437 1.140499  10.88061       0.7498897 10.49731       1.015045  11.34118       1.112675  -1.267883      2.280997  
1 1 1 22  18 6  o 56.32875 1.178906  31.78109       1.326428  33.76628       1.932849  30.01393       1.823618  3.317013       2.357812  
1 1 1 22  18 7  o 63.18156 1.232635  40.10771       1.557305  40.08467       2.181132  40.13167       2.224224  -0.3134537E-01 2.465270  
1 1 1 22  18 8  o 57.47948 1.193895  33.19367       1.372386  33.53696       1.936411  32.84721       1.945312  0.6012154      2.387790  
1 1 1 22  18 9  o 87.75342 1.496653  77.47901       2.623671  75.52330       3.607839  79.67413       3.822303  -2.327026      2.993306  
1 1 1 22  18 10 o 21.19895 1.504245  4.447509       0.6298263 3.590491       0.8353612 5.576402       0.9587508 -4.661270      3.008490  
1 1 1 22  18 11 o 88.67340 1.516620  79.22504       2.688517  81.34325       3.872285  77.25366       3.735669  2.279427       3.033239  
1 1 1 22  18 12 o 8.064713 2.253243  0.3715437      0.5402252 0.5340234      0.7110742 0.1497369      0.8308123 0.5965142      4.506486  
1 1 1 22  18 13 o 39.43305 1.161216  15.60206       0.9144053 16.87104       1.321482  14.43630       1.266593  3.078541       2.322432  
1 1 1 22  18 14 o 66.83539 1.284091  44.96044       1.716255  45.70558       2.425541  44.21332       2.428764  1.116936       2.568183  
1 1 1 22  18 15 o 12.30215 2.362268  1.569037       0.6031941 1.195453       0.8190485 2.011797       0.8916603 -2.924197      4.724536  
1 1 1 22  18 16 o 76.85184 1.396636  59.54006       2.146564  60.29354       3.037503  58.78836       3.033901  0.9785385      2.793271  
1 1 1 22  18 17 o 49.77955 1.196468  24.85700       1.187266  24.08127       1.605005  25.79444       1.764385  -1.692192      2.392936  
1 1 1 22  18 18 o 41.93713 1.207045  17.73678       1.009501  19.27765       1.427817  16.19662       1.427483  3.673336       2.414091  
1 1 1 22  18 19 o 31.75473 1.301686  10.21666       0.8214997 10.71847       1.118913  9.629846       1.209975  1.734526       2.603373  
1 1 1 22  18 20 o 16.66705 2.123213  2.956302       0.6714560 3.225922       0.8747368 2.569556       1.047647  2.321180       4.246426  
1 1 1 22  18 21 o 26.42252 3.257723  7.167299       1.721545  7.167299       1.721545  ?              ?         ?              ?         
1 1 1 22  18 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  18 23 o 51.85121 1.256951  27.11850       1.303362  27.65686       1.852223  26.59047       1.834370  1.023914       2.513902  
1 1 1 22  18 24 o 41.75027 1.250731  17.58216       1.043171  17.51466       1.439990  17.65671       1.513269  -0.1517372     2.501463  
1 1 1 22  18 25 o 29.31103 1.420070  8.667313       0.8299248 8.321115       1.122386  9.084937       1.232743  -1.268620      2.840140  
1 1 1 22  18 26 o 33.80338 1.327259  11.53988       0.8945885 11.39636       1.215273  11.70964       1.321695  -0.4322128     2.654518  
1 1 1 22  18 27 o 12.02398 2.600628  1.508562       0.6852896 1.298613       0.9439617 1.742512       0.9964597 -1.487478      5.201255  
1 1 1 22  18 28 o 18.86965 1.947710  3.662771       0.7313524 3.244030       1.032778  4.083970       1.035805  -2.224226      3.895419  
1 1 1 22  18 29 o 15.15806 2.329984  2.438627       0.7113255 3.460878       1.030543  1.508393       0.9830676 6.380222       4.659968  
1 1 1 22  18 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  19 0  f 9.557636 2.280372  0.8676386      0.5171774 0.9040635      0.7104581 0.8265785      0.7543085 0.1754313      4.560745  
1 1 1 22  19 1  o 54.66102 1.166065  29.97412       1.274138  31.28513       1.829978  28.74058       1.775082  2.320824       2.332131  
1 1 1 22  19 2  o 32.64875 1.190626  10.60601       0.7737834 9.460682       1.039990  12.02626       1.158104  -3.914045      2.381252  
1 1 1 22  19 3  o 41.07191 1.125771  16.93139       0.9239475 16.84792       1.278804  17.02255       1.336417  -0.2055054     2.251543  
1 1 1 22  19 4  f 44.50309 1.128981  19.85924       1.003513  19.40850       1.377824  20.36847       1.464503  -1.067532      2.257963  
1 1 1 22  19 5  f 24.71691 1.385274  6.255739       0.6703628 7.553741       0.9352756 4.884401       0.9613339 5.403915       2.770547  
1 1 1 22  19 6  o 44.54257 1.155877  19.54081       1.018285  17.38861       1.325088  22.64479       1.591340  -5.863445      2.311754  
1 1 1 22  19 7  o 35.89539 1.193115  12.95179       0.8549036 13.00096       1.174492  12.89637       1.246776  0.1562996      2.386230  
1 1 1 22  19 8  o 46.59185 1.153954  21.51355       1.067076  19.43917       1.406989  24.32223       1.637182  -5.206375      2.307908  
1 1 1 22  19 9  o 71.20505 1.321028  51.02522       1.880682  50.80516       2.624339  51.25755       2.696502  -0.3051224     2.642057  
1 1 1 22  19 10 o 44.11045 1.158369  19.31057       1.015289  17.31378       1.347053  21.93686       1.544859  -5.209427      2.316738  
1 1 1 22  19 11 o 45.60521 1.167751  20.80399       1.061741  19.66078       1.433521  22.19317       1.580234  -2.753063      2.335502  
1 1 1 22  19 12 o 26.74572 1.335203  7.095339       0.7088116 6.248428       0.9372692 8.226809       1.083345  -3.671295      2.670407  
1 1 1 22  19 13 o 25.66215 1.404113  6.600554       0.7185785 6.083133       0.9740571 7.218392       1.064387  -2.193571      2.808226  
1 1 1 22  19 14 o 51.73183 1.206182  26.90551       1.247291  28.17706       1.786971  25.69747       1.741770  2.388603       2.412365  
1 1 1 22  19 15 o 53.07803 1.210201  28.35454       1.284379  28.68296       1.803111  28.01625       1.829961  0.6329460      2.420402  
1 1 1 22  19 16 o 12.84782 2.416117  1.760198       0.6316123 1.847058       0.8552064 1.655965       0.9368334 0.6530924      4.832234  
1 1 1 22  19 17 o 16.78741 2.081482  3.009450       0.6659861 3.644839       0.9111858 2.280712       0.9758264 4.341913       4.162964  
1 1 1 22  19 18 o 75.13400 1.404877  57.00717       2.110998  57.10910       2.973873  56.90364       2.997066  0.1424713      2.809753  
1 1 1 22  19 19 o 43.09250 1.234641  18.73472       1.062588  19.69909       1.494317  17.74833       1.511281  2.267151       2.469282  
1 1 1 22  19 20 o 41.04061 1.226751  16.87235       1.001224  16.08044       1.334531  17.89204       1.514342  -2.166893      2.453502  
1 1 1 22  19 21 o 13.90686 2.368867  1.980653       0.6702626 1.186462       0.8873034 3.036077       1.022876  -6.077769      4.737734  
1 1 1 22  19 22 f 10.02983 2.628458  -0.2765421     0.7273139 -1.111436      0.8401352 2.220872       1.453044  -8.877983      5.256917  
1 1 1 22  19 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  19 24 o 43.52249 1.876436  0.000000       0.000000  ?              ?         19.15280       1.633344  ?              ?         
1 1 1 22  19 25 o 19.34915 1.930691  3.834241       0.7438531 3.863513       1.008440  3.799308       1.101665  0.2057495      3.861381  
1 1 1 22  19 26 o 19.95933 1.949761  4.165057       0.7605827 4.636877       1.015215  3.561439       1.148288  2.753300       3.899522  
1 1 1 22  19 27 o 11.94256 2.759082  1.504873       0.8046165 2.030127       0.9788530 0.4105578      1.412876  3.499341       5.518165  
1 1 1 22  19 28 o 25.13370 2.296320  6.433194       1.140910  5.252258       1.514298  7.983687       1.735135  -5.309736      4.592640  
1 1 1 22  19 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  20 0  o 56.52932 1.196466  31.83348       1.346966  35.49857       2.016616  28.88125       1.809902  5.824516       2.392931  
1 1 1 22  20 1  o 41.81838 1.142827  17.56248       0.9554098 17.52565       1.331071  17.60163       1.372174  -0.8532715E-01 2.285654  
1 1 1 22  20 2  o 50.25038 1.167285  25.17661       1.168175  23.31952       1.566608  27.50240       1.753189  -4.135902      2.334571  
1 1 1 22  20 3  o 23.37521 1.368753  5.499308       0.6375584 5.496528       0.8654333 5.502606       0.9428161 -0.3814697E-05 2.737507  
1 1 1 22  20 4  o 19.83804 1.546709  3.912569       0.6092062 3.397652       0.8095826 4.584774       0.9250034 -2.969532      3.093418  
1 1 1 22  20 5  o 20.39743 1.495439  4.172538       0.6063292 4.006666       0.8073787 4.387088       0.9182362 -0.9110374     2.990879  
1 1 1 22  20 6  f 51.30243 1.191868  26.46425       1.222390  27.43094       1.732612  25.50620       1.724854  1.874649       2.383736  
1 1 1 22  20 7  o 54.22532 1.208946  29.35045       1.305218  27.35915       1.747443  31.86338       1.963022  -4.118019      2.417893  
1 1 1 22  20 8  o 21.68925 1.537450  4.701756       0.6619114 3.966020       0.8932498 5.597734       0.9857372 -3.742271      3.074900  
1 1 1 22  20 9  o 64.34499 1.290338  41.61573       1.658934  40.42721       2.285823  42.93841       2.411383  -1.928879      2.580675  
1 1 1 22  20 10 o 27.53332 1.355487  7.667195       0.7434445 8.211638       1.033541  7.083449       1.070195  2.055876       2.710974  
1 1 1 22  20 11 f 58.83934 1.241244  34.75793       1.457366  33.68167       1.983542  36.02048       2.148365  -1.957558      2.482488  
1 1 1 22  20 12 o 71.08404 1.351822  50.91187       1.921651  51.96143       2.728329  49.87862       2.707045  1.460785       2.703644  
1 1 1 22  20 13 o 63.12027 1.285979  40.13184       1.623090  41.17131       2.300218  39.10103       2.290605  1.638046       2.571957  
1 1 1 22  20 14 o 65.41492 1.307359  43.11111       1.709927  44.51675       2.447558  41.77094       2.389879  2.086304       2.614718  
1 1 1 22  20 15 o 45.93781 1.212543  21.23207       1.111539  20.91957       1.517083  21.59426       1.633245  -0.7098541     2.425086  
1 1 1 22  20 16 o 53.59126 1.242940  28.85817       1.329812  31.37267       1.935009  26.60768       1.830608  4.422817       2.485879  
1 1 1 22  20 17 f 32.05053 1.343574  10.35968       0.8585003 10.29696       1.166867  10.43369       1.267583  -0.1893616     2.687148  
1 1 1 22  20 18 o 57.19333 1.271833  32.99417       1.454288  33.56641       2.041818  32.40496       2.071859  1.022324       2.543666  
1 1 1 22  20 19 o 12.90448 2.500823  1.782742       0.6595347 1.844358       0.8594294 1.694471       1.028664  0.4624538      5.001646  
1 1 1 22  20 20 o 24.07125 1.619994  5.704493       0.7655659 4.442572       0.9971562 7.516222       1.194796  -6.321127      3.239989  
1 1 1 22  20 21 o 15.43180 2.350938  2.573658       0.7013398 2.796866       0.9420317 2.296089       1.050498  1.672517       4.701876  
1 1 1 22  20 22 f 31.40885 1.395954  9.838317       0.8700327 8.785688       1.146951  11.26488       1.335222  -3.887903      2.791907  
1 1 1 22  20 23 o 49.15181 1.296212  24.41837       1.273461  25.45005       1.804651  23.39511       1.797265  2.088291       2.592424  
1 1 1 22  20 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  20 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  20 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  20 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  21 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  21 1  o 52.02366 1.723325  0.000000       0.000000  ?              ?         27.21456       1.793074  ?              ?         
1 1 1 22  21 2  o 21.20312 1.582585  4.609675       0.6603844 5.218800       0.9014695 3.904188       0.9701579 3.114399       3.165169  
1 1 1 22  21 3  o 11.90181 2.314715  1.512399       0.5870505 1.938782       0.7902812 0.9874425      0.8768861 3.291540       4.629430  
1 1 1 22  21 4  o 41.73208 1.177832  17.51912       0.9822929 18.28041       1.387184  16.75345       1.391168  1.830120       2.355664  
1 1 1 22  21 5  o 48.97256 1.188053  24.04350       1.161218  23.06712       1.581390  25.18600       1.710635  -2.142208      2.376106  
1 1 1 22  21 6  o 24.85010 1.418030  6.240761       0.6997619 6.369651       0.9410909 6.081378       1.046507  0.6010246      2.836060  
1 1 1 22  21 7  o 21.80516 1.584275  4.786636       0.6805864 4.707663       0.8858039 4.900436       1.063319  -0.4014454     3.168550  
1 1 1 22  21 8  o 19.14882 1.744730  3.590841       0.6570746 2.947374       0.8464326 4.566653       1.042347  -4.178198      3.489460  
1 1 1 22  21 9  o 28.37291 1.401512  8.136365       0.7924600 8.402215       1.087088  7.834883       1.157653  1.014334       2.803025  
1 1 1 22  21 10 o 70.91397 1.358401  50.67480       1.925507  50.26117       2.673846  51.12035       2.775135  -0.5847168     2.716802  
1 1 1 22  21 11 o 68.13245 1.332933  46.78960       1.815435  46.51205       2.525000  47.08661       2.612039  -0.4028168     2.665866  
1 1 1 22  21 12 o 56.77729 1.264178  32.43471       1.433098  31.65265       1.961062  33.33101       2.099418  -1.448059      2.528357  
1 1 1 22  21 13 o 37.12675 1.284614  13.93139       0.9510610 15.02477       1.337310  12.81250       1.352831  2.982841       2.569229  
1 1 1 22  21 14 o 29.55779 1.337339  8.686650       0.7843813 7.793917       1.033711  9.898329       1.204291  -3.519560      2.674677  
1 1 1 22  21 15 o 40.91064 1.241869  16.85891       1.014374  16.73656       1.392111  16.99740       1.481105  -0.2991371     2.483737  
1 1 1 22  21 16 o 25.65072 1.499458  6.502432       0.7595015 5.698298       0.9835895 7.689970       1.195290  -3.823765      2.998916  
1 1 1 22  21 17 o 39.20173 1.279403  15.53017       1.000924  15.96025       1.383067  15.05721       1.450370  1.168449       2.558806  
1 1 1 22  21 18 o 28.12690 1.483376  8.061520       0.8275650 8.526884       1.122357  7.507068       1.225086  1.843092       2.966752  
1 1 1 22  21 19 o 11.84652 2.627319  1.470091       0.7026888 1.735626       0.9164638 1.091297       1.094602  1.789080       5.254637  
1 1 1 22  21 20 f 11.37876 2.609162  1.331929       0.6877790 1.582621       0.8975305 0.9752975      1.070505  1.620539       5.218325  
1 1 1 22  21 21 o 48.67443 1.302176  23.95888       1.266432  25.11986       1.788970  22.79259       1.793049  2.391819       2.604352  
1 1 1 22  21 22 o 14.54505 2.811640  2.202078       0.8473840 3.017525       1.311133  1.617130       1.110473  4.181207       5.623281  
1 1 1 22  21 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  21 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  21 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  21 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  22 0  o 66.61347 1.845854  44.66889       2.459174  44.66889       2.459174  ?              ?         ?              ?         
1 1 1 22  22 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  22 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  22 3  o 44.65005 1.828947  0.000000       0.000000  ?              ?         20.07344       1.633251  ?              ?         
1 1 1 22  22 4  o 39.72738 1.223486  15.67844       0.9659178 13.87336       1.285047  18.02289       1.464507  -5.190407      2.446972  
1 1 1 22  22 5  o 55.74140 1.229632  31.20139       1.368049  30.30642       1.865902  32.24173       2.011747  -1.709602      2.459263  
1 1 1 22  22 6  o 48.78899 1.237400  23.88458       1.204918  22.86353       1.640735  25.07989       1.775222  -2.246330      2.474800  
1 1 1 22  22 7  o 47.05755 1.230450  22.08853       1.150985  20.53654       1.528334  24.12210       1.749461  -3.767033      2.460899  
1 1 1 22  22 8  o 64.02434 1.320235  41.10152       1.684190  38.88895       2.265481  43.83506       2.518108  -3.807625      2.640471  
1 1 1 22  22 9  o 13.81909 2.461060  2.028520       0.6716758 1.979069       0.8714214 2.100901       1.054272  -0.3809938     4.922119  
1 1 1 22  22 10 o 47.25590 1.257447  22.52685       1.187105  23.04269       1.652511  21.97679       1.706426  1.139698       2.514893  
1 1 1 22  22 11 o 35.78045 1.314340  12.81998       0.9363186 11.97675       1.253531  13.88420       1.408240  -2.629620      2.628680  
1 1 1 22  22 12 f 8.800940 2.381245  0.2306297      0.6365288 -0.4752685     0.8354034 1.207667       0.9828354 -4.608151      4.762491  
1 1 1 22  22 13 o 45.51588 1.286788  20.83421       1.169180  19.98261       1.594901  21.82349       1.719005  -1.993290      2.573575  
1 1 1 22  22 14 o 50.05612 1.251865  25.16252       1.248440  24.15918       1.680469  26.39838       1.865044  -2.193001      2.503731  
1 1 1 22  22 15 o 48.13924 1.250459  23.37320       1.202259  23.32251       1.656548  23.42962       1.747605  -0.8880234E-01 2.500918  
1 1 1 22  22 16 o 25.94546 1.508758  6.831324       0.7800200 6.988479       1.065971  6.650182       1.144433  0.6755829      3.017517  
1 1 1 22  22 17 o 23.67657 1.672604  5.672760       0.7899199 5.339180       1.070411  6.071650       1.170520  -1.511459      3.345209  
1 1 1 22  22 18 o 30.75855 1.446330  9.609986       0.8873435 10.06127       1.230969  9.121834       1.280268  1.543026       2.892659  
1 1 1 22  22 19 o 17.10176 2.702931  3.257546       0.9104780 2.388678       1.432861  3.845941       1.179129  -4.462378      5.405862  
1 1 1 22  22 20 o 19.93994 4.752903  0.000000       0.000000  ?              ?         4.418496       1.871289  ?              ?         
1 1 1 22  22 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  22 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  22 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  22 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  23 0  o 36.99784 1.242754  13.76999       0.9181575 13.65575       1.261433  13.89871       1.338975  -0.3140869     2.485507  
1 1 1 22  23 1  o 39.89685 1.224226  15.96095       0.9735069 15.35772       1.313895  16.69520       1.449577  -1.651112      2.448451  
1 1 1 22  23 2  o 35.21272 1.260938  12.43257       0.8836716 11.97976       1.183665  13.00269       1.328184  -1.424232      2.521876  
1 1 1 22  23 3  o 33.47710 1.798403  11.28953       1.204106  11.28953       1.204106  ?              ?         ?              ?         
1 1 1 22  23 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  23 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  23 6  o 47.31149 1.534264  22.72446       1.375568  22.39114       2.346734  22.89894       1.697827  -0.7085724     3.068528  
1 1 1 22  23 7  f 67.97284 1.358648  46.47141       1.842009  44.62623       2.496863  48.67484       2.728511  -2.922630      2.717297  
1 1 1 22  23 8  o 27.17407 1.546333  7.501135       0.8370361 7.975274       1.159593  6.985325       1.209478  1.835064       3.092667  
1 1 1 22  23 9  o 64.55784 1.347533  42.04238       1.738889  41.62264       2.413759  42.49525       2.507224  -0.6534424     2.695066  
1 1 1 22  23 10 o 57.15009 1.299401  32.90150       1.483512  35.20377       2.137218  30.76079       2.060869  3.869072       2.598803  
1 1 1 22  23 11 o 35.15935 1.321831  12.49387       0.9273563 12.75962       1.277318  12.19767       1.348538  0.8169060      2.643662  
1 1 1 22  23 12 o 52.81215 1.531721  27.73599       1.542712  29.96736       2.654148  26.59750       1.895857  2.963684       3.063442  
1 1 1 22  23 13 o 33.50513 1.611834  11.44404       1.058925  11.10552       1.656276  11.67807       1.377152  -0.9435539     3.223668  
1 1 1 22  23 14 o 25.20488 1.913855  6.324111       0.9488506 7.404094       1.519344  5.633583       1.214895  3.392496       3.827711  
1 1 1 22  23 15 o 24.65689 2.481161  0.000000       0.000000  ?              ?         6.196339       1.223554  ?              ?         
1 1 1 22  23 16 o 7.959597 3.480788  0.000000       0.000000  ?              ?         -0.1617235     1.050907  ?              ?         
1 1 1 22  23 17 o 51.85155 2.874185  0.000000       0.000000  ?              ?         27.58198       2.980619  ?              ?         
1 1 1 22  23 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  23 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  23 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  23 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  23 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 0  f 55.91923 1.261809  31.40303       1.407567  30.03405       1.909389  33.03250       2.083140  -2.642803      2.523618  
1 1 1 22  24 1  o 45.46346 1.241477  20.85007       1.127475  21.44893       1.571654  20.21509       1.618352  1.367134       2.482955  
1 1 1 22  24 2  o 42.53239 1.246716  17.89734       1.050053  15.86918       1.372957  20.75557       1.629875  -5.687817      2.493431  
1 1 1 22  24 3  o 19.84014 1.974486  4.212511       0.7201334 5.737485       1.016727  2.677323       1.020126  7.955998       3.948972  
1 1 1 22  24 4  o 18.20291 2.034189  3.361195       0.7087346 2.531394       0.9385304 4.462318       1.081133  -5.495367      4.068377  
1 1 1 22  24 5  o 22.90022 2.112038  5.552404       0.9008930 5.958814       1.115800  4.791345       1.526913  2.698498       4.224076  
1 1 1 22  24 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 8  o 70.73209 2.055476  0.000000       0.000000  ?              ?         50.60792       2.907762  ?              ?         
1 1 1 22  24 9  o 32.14476 2.253902  10.86348       1.413766  12.30730       1.896720  9.058507       2.120714  5.151491       4.507804  
1 1 1 22  24 10 o 47.14582 2.910689  0.000000       0.000000  ?              ?         22.75983       2.744536  ?              ?         
1 1 1 22  24 11 o 23.96994 4.321695  0.000000       0.000000  ?              ?         6.216540       1.996129  ?              ?         
1 1 1 22  24 12 o 23.19345 4.539463  0.000000       0.000000  ?              ?         5.886305       2.030628  ?              ?         
1 1 1 22  24 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  24 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 0  o 42.59761 1.554021  18.69340       1.275763  17.05732       2.051487  19.72510       1.629081  -3.247993      3.108042  
1 1 1 22  25 1  o 16.92188 3.119941  0.000000       0.000000  ?              ?         3.023016       1.016282  ?              ?         
1 1 1 22  25 2  o 39.53393 1.911153  0.000000       0.000000  ?              ?         15.78068       1.511108  ?              ?         
1 1 1 22  25 3  o 11.62833 4.152024  0.000000       0.000000  ?              ?         1.243093       1.223773  ?              ?         
1 1 1 22  25 4  o 16.95568 4.212001  0.000000       0.000000  ?              ?         3.130682       1.423748  ?              ?         
1 1 1 22  25 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  25 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  26 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  27 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  28 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  28 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  28 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  28 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  28 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  28 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  29 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 22  29 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  0  0  f 189.8327 2.834877  361.8886       10.74652  355.6741       14.90729  368.6125       15.50613  -0.000000      0.000000  
1 1 1 23  0  1  o 127.5950 1.942292  163.2528       4.949857  161.1260       6.897540  165.5111       7.107491  -0.000000      0.000000  
1 1 1 23  0  2  o 14.60695 1.055379  2.199154       0.3023111 2.157232       0.4183824 2.244954       0.4373104 -0.000000      0.000000  
1 1 1 23  0  3  o 110.4617 1.702197  122.3285       3.755630  121.0000       5.242046  123.7297       5.383296  -0.000000      0.000000  
1 1 1 23  0  4  o 19.59480 0.9008718 3.877269       0.3494191 3.659085       0.4782126 4.127179       0.5118021 -0.000000      0.000000  
1 1 1 23  0  5  o 82.25520 1.317992  67.82024       2.165643  68.36307       3.082239  67.29099       3.043493  -0.000000      0.000000  
1 1 1 23  0  6  o 61.61730 1.060456  38.05904       1.305113  38.00503       1.840430  38.11367       1.851034  -0.000000      0.000000  
1 1 1 23  0  7  o 6.191210 1.991648  0.5546994      0.2647491 0.5057381      0.3581824 0.6136624      0.3930680 -0.000000      0.000000  
1 1 1 23  0  8  o 64.34406 1.090683  41.47720       1.401066  40.70580       1.944131  42.31072       2.020912  -0.000000      0.000000  
1 1 1 23  0  9  o 45.46029 0.8943382 20.70884       0.8110814 20.34502       1.120734  21.10894       1.175295  -0.000000      0.000000  
1 1 1 23  0  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  0  12 f 76.52642 1.763316  58.72533       2.695621  58.72533       2.695621  58.72533       2.695621  -0.000000      0.000000  
1 1 1 23  0  13 o 53.23126 0.9752083 28.41326       1.036672  28.19541       1.462801  28.63307       1.469371  -0.000000      0.000000  
1 1 1 23  0  14 f 33.71209 0.8373494 11.40404       0.5627303 11.69029       0.8127667 11.14048       0.7798923 -0.000000      0.000000  
1 1 1 23  0  15 o 100.6116 1.571787  101.6086       3.159363  101.6120       4.470662  101.6053       4.465373  -0.000000      0.000000  
1 1 1 23  0  16 o 172.1253 2.590064  298.5217       8.904345  294.1465       12.40141  303.1776       12.79300  -0.000000      0.000000  
1 1 1 23  0  17 o 4.191171 1.827347  0.1382530      0.2941788 0.4852769E-01  0.4110113 0.2324999      0.4212404 -0.000000      0.000000  
1 1 1 23  0  18 o 26.97018 0.8496939 7.123826       0.4499807 8.859390       0.7054949 5.933537       0.5842515 -0.000000      0.000000  
1 1 1 23  0  19 o 65.30392 1.120356  42.76529       1.461026  41.80076       2.040477  43.78004       2.092926  -0.000000      0.000000  
1 1 1 23  0  20 o 6.013144 1.786813  0.3664696      0.2832960 0.9701101      0.4336427 -0.8298242E-01 0.3741835 -0.000000      0.000000  
1 1 1 23  0  21 o 30.97257 0.8437623 9.659636       0.5201702 9.193471       0.7429147 10.10796       0.7285589 -0.000000      0.000000  
1 1 1 23  0  22 o 39.80595 0.8692637 15.90390       0.6902153 15.20144       0.9678398 16.63090       0.9845999 -0.000000      0.000000  
1 1 1 23  0  23 o 26.05640 0.8814662 6.870974       0.4551844 6.312145       0.6534320 7.397798       0.6344440 -0.000000      0.000000  
1 1 1 23  0  24 o 42.63091 0.9080694 18.25314       0.7723659 17.65445       1.092302  18.85180       1.092279  -0.000000      0.000000  
1 1 1 23  0  25 o 62.96043 1.101193  39.79598       1.384459  39.90886       1.979560  39.68791       1.936974  -0.000000      0.000000  
1 1 1 23  0  26 o 36.36441 0.8681937 13.29288       0.6294134 13.12981       0.9037496 13.44648       0.8770986 -0.000000      0.000000  
1 1 1 23  0  27 o 84.12341 1.367948  71.01083       2.296231  68.60194       3.157012  73.71664       3.345938  -0.000000      0.000000  
1 1 1 23  0  28 o 63.14879 1.111392  40.05240       1.401459  40.07249       2.002004  40.03309       1.962510  -0.000000      0.000000  
1 1 1 23  0  29 o 16.25528 1.883516  2.726789       0.4815601 2.605566       0.5520149 3.112829       0.9850879 -0.000000      0.000000  
1 1 1 23  0  30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  0  31 o 19.18271 1.049847  3.705411       0.3949378 4.166509       0.6063740 3.365706       0.5204691 -0.000000      0.000000  
1 1 1 23  0  32 o 11.61147 1.661224  1.495923       0.3393416 1.593141       0.5188617 1.423259       0.4485770 -0.000000      0.000000  
1 1 1 23  0  33 o 4.002519 1.827184  0.3351307E-01  0.3208269 0.3773239E-01  0.5177264 0.3088274E-01  0.4087742 -0.000000      0.000000  
1 1 1 23  0  34 o 37.22516 0.9254808 13.94175       0.6858254 13.94372       1.001457  13.94000       0.9411561 -0.000000      0.000000  
1 1 1 23  0  35 o 19.57077 1.726451  3.936333       0.6657679 3.936333       0.6657679 3.936333       0.6657679 -0.000000      0.000000  
1 1 1 23  0  36 o 46.66507 0.9927790 21.91936       0.9239703 21.17459       1.316494  22.64235       1.297105  -0.000000      0.000000  
1 1 1 23  0  37 o 21.63699 1.118358  4.817848       0.4704987 4.519400       0.7210615 5.039135       0.6208897 -0.000000      0.000000  
1 1 1 23  0  38 o 27.84236 1.015397  7.920974       0.5561888 7.005108       0.8130433 8.726560       0.7625245 -0.000000      0.000000  
1 1 1 23  0  39 o 48.99721 1.500075  24.16969       1.466956  24.16969       1.466956  24.16969       1.466956  -0.000000      0.000000  
1 1 1 23  1  0  o 83.07683 0.9368559 69.04599       1.556192  68.05912       2.170200  70.09052       2.232706  -1.220772      1.873712  
1 1 1 23  1  1  o 121.5062 1.308278  147.8695       3.179272  147.7961       4.492575  147.9431       4.499774  -0.6016541E-01 2.616555  
1 1 1 23  1  2  o 42.43484 0.6071754 18.01366       0.5153008 18.07376       0.7276288 17.95319       0.7298669 0.1421165      1.214351  
1 1 1 23  1  3  o 92.97289 1.030536  86.18319       1.910362  82.39172       2.582432  90.76571       2.839090  -4.494453      2.061073  
1 1 1 23  1  4  o 78.09251 0.8911135 61.01443       1.391473  61.85734       1.993592  60.21370       1.943061  1.050774       1.782227  
1 1 1 23  1  5  o 65.91712 0.7830807 43.32051       1.029756  41.36485       1.397105  45.64668       1.523709  -3.244110      1.566161  
1 1 1 23  1  6  o 35.25590 0.5781280 12.25238       0.4046420 14.18946       0.6176340 10.79571       0.5355949 4.811039       1.156256  
1 1 1 23  1  7  o 58.46081 0.8835599 34.51357       0.9824538 33.21317       1.654856  35.22136       1.220892  -1.734253      1.767120  
1 1 1 23  1  8  o 54.72358 0.9877057 29.93616       1.080059  31.14759       1.568192  28.84296       1.489698  2.102180       1.975411  
1 1 1 23  1  9  o 63.10304 1.084265  39.86373       1.367986  39.17562       1.905955  40.59485       1.964628  -1.121548      2.168530  
1 1 1 23  1  10 o 24.74857 0.7488807 6.345896       0.3447342 6.779418       0.4250449 5.512520       0.5893176 2.565409       1.497761  
1 1 1 23  1  11 o 32.77055 0.5761304 10.74210       0.3775528 10.61079       0.5287321 10.87871       0.5393054 -0.4084587     1.152261  
1 1 1 23  1  12 o 26.35179 0.8034912 6.946539       0.4232168 7.293819       0.6062582 6.616442       0.5910686 1.284601       1.606982  
1 1 1 23  1  13 o 57.70560 1.013510  33.24984       1.167172  31.86432       1.588318  34.87633       1.720905  -2.602306      2.027020  
1 1 1 23  1  14 o 118.3057 1.568177  140.5868       3.503716  140.4121       6.045059  140.6752       4.299561  -0.2724075     3.136353  
1 1 1 23  1  15 o 109.2494 1.192224  119.6734       2.604991  119.5531       3.680408  119.7942       3.687630  -0.1097717     2.384449  
1 1 1 23  1  16 o 53.24448 0.6915200 28.37479       0.7363376 28.23028       1.034005  28.52348       1.048830  -0.2746201     1.383040  
1 1 1 23  1  17 o 101.3108 1.115337  102.8845       2.259740  103.7520       3.220101  102.0428       3.171953  0.8397446      2.230674  
1 1 1 23  1  18 o 65.41168 0.7873375 42.83514       1.029800  42.35147       1.438603  43.34344       1.474785  -0.7560043     1.574675  
1 1 1 23  1  19 o 26.03371 0.6131746 6.734420       0.3163401 8.139638       0.4678582 5.550938       0.4293618 4.969849       1.226349  
1 1 1 23  1  20 o 22.86955 0.6168966 5.197556       0.2800258 6.185476       0.4139660 4.364158       0.3802156 3.980097       1.233793  
1 1 1 23  1  21 f 31.62432 0.5919196 10.01096       0.3743767 10.06888       0.5295436 9.953080       0.5293537 0.1830750      1.183839  
1 1 1 23  1  22 o 21.86385 0.6306553 4.786078       0.2757604 4.762242       0.3910694 4.809653       0.3889080 -0.1085682     1.261311  
1 1 1 23  1  23 o 35.51862 0.6002458 12.62900       0.4263836 12.51237       0.6001179 12.74789       0.6059189 -0.3311653     1.200492  
1 1 1 23  1  24 o 37.81299 0.6162460 14.19263       0.4640149 15.83504       0.6953588 12.87417       0.6230173 3.909882       1.232492  
1 1 1 23  1  25 o 50.75650 0.6855471 25.80112       0.6958349 26.07497       0.9935131 25.53745       0.9748701 0.5278969      1.371094  
1 1 1 23  1  26 o 58.55876 0.7415646 34.21622       0.8662336 36.37553       1.283048  32.40758       1.174248  3.377174       1.483129  
1 1 1 23  1  27 o 29.55980 0.6133528 8.751596       0.3625490 8.939404       0.5127330 8.563807       0.5127104 0.6353149      1.226706  
1 1 1 23  1  28 o 12.33735 1.369523  1.613059       0.3156021 1.315276       0.4919581 1.821322       0.4114199 -2.251945      2.739046  
1 1 1 23  1  29 o 52.40636 0.8715331 26.62399       0.8386845 25.31255       0.9928671 29.89057       1.566977  -4.293488      1.743066  
1 1 1 23  1  30 o 43.37151 0.6576645 18.84654       0.5704229 18.65314       0.7999379 19.04662       0.8136364 -0.4521103     1.315329  
1 1 1 23  1  31 o 29.26347 0.8847646 8.527703       0.5148863 7.984659       0.6852322 9.231912       0.7803171 -2.116245      1.769529  
1 1 1 23  1  32 o 22.94463 0.7167894 5.251612       0.3275864 5.561498       0.4906435 5.002359       0.4400322 1.211979       1.433579  
1 1 1 23  1  33 f 24.32240 0.6855018 5.925771       0.3332362 6.240835       0.4783825 5.628777       0.4644601 1.256390       1.371004  
1 1 1 23  1  34 o 12.61825 1.385373  1.558114       0.3426726 1.364354       0.4349505 1.875185       0.5563984 -1.990387      2.770747  
1 1 1 23  1  35 o 13.84399 0.9907159 1.957907       0.2672352 2.478774       0.3796421 1.446343       0.3762361 3.728074       1.981432  
1 1 1 23  1  36 o 25.09829 0.7115384 6.319944       0.3570693 6.136322       0.5041052 6.504833       0.5058438 -0.7338619     1.423077  
1 1 1 23  1  37 o 17.07670 0.8567281 2.928391       0.2920428 2.686262       0.4070481 3.185245       0.4192435 -1.458530      1.713456  
1 1 1 23  1  38 o 16.37478 0.8982043 2.698350       0.2938744 2.741160       0.4087244 2.652532       0.4228373 0.2737961      1.796409  
1 1 1 23  1  39 o 12.13842 1.882143  1.562244       0.4441841 1.676275       0.6471350 1.460664       0.6107823 0.8471508      3.764285  
1 1 1 23  2  0  o 131.7642 1.410776  173.7288       3.714312  178.3329       5.395018  169.5799       5.121323  3.309204       2.821553  
1 1 1 23  2  1  o 43.48347 0.6142939 18.90372       0.5340718 19.39433       0.7666681 18.44118       0.7444069 1.095539       1.228588  
1 1 1 23  2  2  o 65.42439 0.7782033 42.82821       1.018268  42.88717       1.439644  42.76918       1.440454  0.9019470E-01  1.556407  
1 1 1 23  2  3  o 15.10494 0.7011997 2.280972       0.2107646 1.982658       0.2923484 2.603822       0.3041330 -2.055877      1.402399  
1 1 1 23  2  4  f 121.8430 1.311797  148.7128       3.196592  149.3526       4.539567  148.0836       4.501993  0.5190048      2.623594  
1 1 1 23  2  5  o 55.98423 0.8763883 30.17880       0.8871291 34.15150       1.705643  28.70558       1.038675  4.841167       1.752777  
1 1 1 23  2  6  f 64.60279 1.105157  41.76351       1.427021  40.91552       1.976241  42.68737       2.062764  -1.367268      2.210313  
1 1 1 23  2  7  o 47.99448 0.8483465 23.17285       0.7972303 23.65490       1.033319  22.46391       1.253113  1.249016       1.696693  
1 1 1 23  2  8  o 64.77811 0.7741349 41.99269       1.002905  41.78545       1.411269  42.20412       1.425482  -0.3226471     1.548270  
1 1 1 23  2  9  o 54.98175 0.6954365 29.84563       0.7583929 33.40062       1.168039  27.25465       0.9971728 5.583458       1.390873  
1 1 1 23  2  10 o 58.38738 0.7224589 34.03672       0.8424025 35.54323       1.233018  32.71798       1.153616  2.416546       1.444918  
1 1 1 23  2  11 o 26.99613 0.5773524 7.289523       0.3114408 7.726167       0.4447654 6.869447       0.4362457 1.586489       1.154705  
1 1 1 23  2  12 o 34.03934 0.5823690 11.50003       0.3948763 10.45448       0.5313361 12.78993       0.5901640 -3.428658      1.164738  
1 1 1 23  2  13 o 19.49200 0.6544733 3.770539       0.2532924 3.183384       0.3429281 4.475410       0.3757346 -3.313042      1.308947  
1 1 1 23  2  14 o 44.92127 0.8655872 20.08754       0.7745855 18.95365       1.040535  21.49685       1.160043  -2.824436      1.731174  
1 1 1 23  2  15 o 114.4114 1.758794  131.6169       4.023229  133.9043       5.779403  129.4661       5.604058  1.918671       3.517589  
1 1 1 23  2  16 o 125.8821 1.468711  158.2623       3.633166  163.7817       5.739388  154.5716       4.693208  3.550613       2.937422  
1 1 1 23  2  17 o 29.46018 0.5856923 8.660033       0.3445923 8.171455       0.4726525 9.214376       0.5034592 -1.768753      1.171385  
1 1 1 23  2  18 o 64.32676 0.7779176 41.42294       1.000573  40.88009       1.396497  41.99557       1.434309  -0.8646812     1.555835  
1 1 1 23  2  19 o 60.44196 0.7496225 36.42402       0.9035639 34.60909       1.222552  38.60882       1.341361  -3.301174      1.499245  
1 1 1 23  2  20 o 33.05707 0.5930707 10.93866       0.3920676 11.06867       0.5531921 10.80744       0.5557514 0.3952599      1.186141  
1 1 1 23  2  21 o 50.90205 0.6767664 25.92508       0.6886790 25.30545       0.9568989 26.59089       0.9919235 -1.260262      1.353533  
1 1 1 23  2  22 f 21.75902 0.6358364 4.729714       0.2756974 5.323329       0.3996911 4.190928       0.3807856 2.600883       1.271673  
1 1 1 23  2  23 o 76.16151 0.8885306 58.14104       1.353292  57.59715       1.897092  58.70457       1.931048  -0.7236710     1.777061  
1 1 1 23  2  24 o 36.60038 0.6055955 13.40405       0.4431563 13.07236       0.6172873 13.75681       0.6365938 -0.9336433     1.211191  
1 1 1 23  2  25 f 11.63786 0.9697759 1.363574       0.2208498 1.016155       0.3041085 1.751271       0.3212538 -3.156218      1.939552  
1 1 1 23  2  26 o 30.16121 0.6812793 9.194166       0.4039709 8.633841       0.6210691 9.605075       0.5318529 -1.618196      1.362559  
1 1 1 23  2  27 o 38.82796 0.9158177 14.93251       0.7055686 16.66834       1.084351  13.65794       0.9291748 3.856915       1.831635  
1 1 1 23  2  28 o 47.02036 0.7163720 22.05197       0.6654500 21.51546       0.8705606 22.80606       1.032104  -1.355522      1.432744  
1 1 1 23  2  29 f 9.322926 1.246744  0.9340280      0.2225418 1.292310       0.3095887 0.5509591      0.3201186 4.044939       2.493489  
1 1 1 23  2  30 o 19.82047 0.7123782 3.940513       0.2822040 4.079095       0.3973503 3.799467       0.4008664 0.7058258      1.424756  
1 1 1 23  2  31 o 52.70988 0.7164936 27.85320       0.7552866 27.96669       1.074490  27.74236       1.061894  0.2111969      1.432987  
1 1 1 23  2  32 o 23.56441 0.9184966 5.761600       0.4183873 6.676188       0.5567023 4.574552       0.6342269 4.471758       1.836993  
1 1 1 23  2  33 o 14.42947 0.9968219 2.090230       0.2840937 2.113510       0.4387281 2.073421       0.3728107 0.1262426      1.993644  
1 1 1 23  2  34 f 11.38546 1.110411  1.303058       0.2518155 1.147272       0.3483346 1.473595       0.3644539 -1.429483      2.220823  
1 1 1 23  2  35 o 20.08723 0.7569250 4.058205       0.3029426 4.478545       0.4295068 3.642072       0.4273523 2.081738       1.513850  
1 1 1 23  2  36 o 27.14413 0.6898701 7.367252       0.3735914 6.676816       0.5141463 8.139552       0.5437738 -2.689837      1.379740  
1 1 1 23  2  37 o 41.42874 0.6832914 17.21586       0.5660775 17.31325       0.8083386 17.12214       0.7929910 0.2281418      1.366583  
1 1 1 23  2  38 o 11.09040 1.304742  1.304979       0.2722862 0.8658985      0.3867456 1.736536       0.3834177 -4.076286      2.609483  
1 1 1 23  2  39 f 45.26370 2.320875  20.88187       2.101027  20.88187       2.101027  ?              ?         ?              ?         
1 1 1 23  3  0  o 54.63831 0.6886945 29.86415       0.7525482 30.11601       1.070493  29.61806       1.058142  0.4553986      1.377389  
1 1 1 23  3  1  o 54.21891 0.6864526 29.14649       0.7401670 27.04611       0.9848316 31.87293       1.122049  -4.448086      1.372905  
1 1 1 23  3  2  o 99.84483 1.353187  99.06754       2.514560  102.0389       4.497956  97.71671       3.032743  2.098045       2.706373  
1 1 1 23  3  3  f 70.24042 1.176544  49.32618       1.650764  47.91717       2.267362  50.91546       2.408051  -2.128494      2.353088  
1 1 1 23  3  4  f 91.20800 1.446489  83.32880       2.637578  84.88955       3.795505  81.87119       3.667961  1.647751       2.892977  
1 1 1 23  3  5  o 85.71463 1.187249  73.55508       1.909528  73.48920       2.327287  73.69078       3.340362  -0.6908417E-01 2.374499  
1 1 1 23  3  6  o 61.00616 0.7410004 37.23572       0.9040133 37.72210       1.290172  36.76660       1.267076  0.7823677      1.482001  
1 1 1 23  3  7  o 74.92548 0.8626578 56.18954       1.292674  56.49222       1.835391  55.89161       1.820929  0.4002380      1.725316  
1 1 1 23  3  8  o 59.41949 0.7303655 35.05773       0.8636663 38.05465       1.303009  32.70934       1.153439  4.492886       1.460731  
1 1 1 23  3  9  o 48.81479 0.6495183 23.81936       0.6337100 23.22753       0.8771188 24.46565       0.9165859 -1.266941      1.299037  
1 1 1 23  3  10 o 39.55688 0.5961572 15.59970       0.4707997 16.72387       0.6903612 14.62234       0.6437070 2.654911       1.192314  
1 1 1 23  3  11 o 23.08780 0.5959366 5.333011       0.2751029 5.320587       0.3843964 5.346056       0.3938855 -0.5485535E-01 1.191873  
1 1 1 23  3  12 o 114.4898 1.241058  131.3914       2.841761  131.2530       4.012787  131.5306       4.024955  -0.1203918     2.482117  
1 1 1 23  3  13 o 30.49401 0.5734276 9.309899       0.3494829 9.632973       0.4918154 8.980366       0.4967078 1.070217       1.146855  
1 1 1 23  3  14 o 107.8882 1.178106  116.5661       2.539966  113.9240       3.507220  119.4803       3.683360  -2.561951      2.356213  
1 1 1 23  3  15 o 43.47162 0.6231671 18.87565       0.5412657 19.97475       0.7848297 17.87871       0.7474671 2.409203       1.246334  
1 1 1 23  3  16 o 72.72961 1.184788  53.04040       1.723233  52.85155       2.419181  53.23492       2.455257  -0.2605667     2.369577  
1 1 1 23  3  17 f 102.5180 1.587346  105.6524       3.254616  105.9642       4.610649  105.3427       4.594835  0.3012695      3.174691  
1 1 1 23  3  18 o 80.75488 0.9228958 65.31276       1.490090  64.26101       2.075711  66.43109       2.140389  -1.338753      1.845792  
1 1 1 23  3  19 o 78.62112 0.9052672 61.85479       1.422099  60.17321       1.959801  63.72493       2.066762  -2.250412      1.810534  
1 1 1 23  3  20 o 26.79759 0.5996296 7.190808       0.3212447 7.363400       0.4520030 7.014650       0.4566500 0.6509743      1.199259  
1 1 1 23  3  21 o 73.83623 0.8647867 54.57249       1.275916  53.20161       1.760105  56.09068       1.852256  -1.948204      1.729573  
1 1 1 23  3  22 o 40.38188 0.6244948 16.32085       0.5042429 16.10465       0.7038000 16.54887       0.7227937 -0.5487671     1.248990  
1 1 1 23  3  23 o 53.77582 0.7023200 28.95357       0.7552063 28.44717       1.055246  29.48527       1.081276  -0.9631500     1.404640  
1 1 1 23  3  24 o 15.78805 0.7528306 2.496222       0.2376439 2.448659       0.3311732 2.546711       0.3412100 -0.3096151     1.505661  
1 1 1 23  3  25 o 22.56253 0.9188986 5.174448       0.4022080 4.809196       0.6405047 5.412249       0.5168109 -1.350906      1.837797  
1 1 1 23  3  26 o 15.89593 1.017792  2.595856       0.3059330 2.734040       0.3814594 2.346737       0.5121805 1.235838       2.035584  
1 1 1 23  3  27 o 9.611337 1.160691  0.9459893      0.2176241 0.9967471      0.3020269 0.8911804      0.3138473 0.6995087      2.321382  
1 1 1 23  3  28 o 25.95326 0.6333308 6.743031       0.3284626 7.141640       0.4702681 6.363344       0.4589705 1.498373       1.266662  
1 1 1 23  3  29 o 22.52155 0.6736756 5.087278       0.3023758 5.640347       0.4313933 4.553127       0.4239517 2.412962       1.347351  
1 1 1 23  3  30 o 55.45964 0.7307308 30.83660       0.8105077 30.67495       1.142183  31.00055       1.150322  -0.2925301     1.461462  
1 1 1 23  3  31 o 9.477370 1.504476  0.9231788      0.2624074 0.8932559      0.3157720 0.9899575      0.4717278 -0.4250698     3.008953  
1 1 1 23  3  32 o 24.60908 0.6702157 6.079204       0.3292606 6.468787       0.4639351 5.683825       0.4673737 1.595278       1.340431  
1 1 1 23  3  33 o 49.84272 0.8616672 24.74318       0.8077745 24.36023       0.9833618 25.53769       1.416422  -1.109009      1.723334  
1 1 1 23  3  34 o 5.973456 1.540260  0.2342730      0.2617204 -0.7780448E-01 0.3812340 0.5124622      0.3599404 -2.347857      3.080520  
1 1 1 23  3  35 f 15.69152 0.8793188 2.457350       0.2738613 2.062999       0.3722367 2.922678       0.4043498 -2.733037      1.758638  
1 1 1 23  3  36 o 6.500165 1.567875  0.3961717      0.2452085 0.4376811      0.3349539 0.3482364      0.3599479 0.3667378      3.135750  
1 1 1 23  3  37 o 5.091060 1.411277  -0.2710408E-01 0.2474363 0.4046153      0.3486597 -0.4651623     0.3512100 2.916569       2.822555  
1 1 1 23  3  38 o 36.12119 1.001020  13.17378       0.7194235 12.75533       1.063249  13.52713       0.9770454 -1.089558      2.002041  
1 1 1 23  3  39 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  4  0  o 68.19568 1.160430  46.55296       1.582345  46.02207       2.209026  47.11242       2.267673  -0.7971573     2.320860  
1 1 1 23  4  1  o 30.48451 0.8728550 9.251536       0.5306382 8.668695       0.7179654 9.953190       0.7877517 -2.104731      1.745710  
1 1 1 23  4  2  o 67.75494 0.9984419 45.38898       1.245587  44.53728       1.487214  47.39015       2.279663  -2.078171      1.996884  
1 1 1 23  4  3  o 147.8284 1.572375  219.0883       4.648723  219.9883       6.601593  218.2031       6.547318  0.6006622      3.144749  
1 1 1 23  4  4  o 67.87132 0.7991061 45.82001       1.080011  43.28774       1.447746  48.99757       1.621755  -4.200813      1.598212  
1 1 1 23  4  5  o 99.39626 1.091986  98.93266       2.170670  99.57523       3.089194  98.30598       3.050749  0.6366806      2.183972  
1 1 1 23  4  6  o 112.1759 1.216787  125.9852       2.728439  128.5499       3.936595  123.6141       3.785056  2.191795       2.433575  
1 1 1 23  4  7  f 70.44220 0.8218448 49.65257       1.157629  49.09658       1.618197  50.23537       1.656754  -0.8068771     1.643690  
1 1 1 23  4  8  o 64.96310 0.7744057 42.23057       1.006085  42.68598       1.433289  41.78823       1.412574  0.6902008      1.548811  
1 1 1 23  4  9  o 71.47089 1.202068  51.12323       1.716725  49.81316       2.368027  52.57450       2.492375  -1.924377      2.404136  
1 1 1 23  4  10 o 35.86042 0.5732919 12.73996       0.4088997 11.69026       0.5444645 14.09794       0.6192749 -3.354782      1.146584  
1 1 1 23  4  11 o 64.59671 0.7743934 41.01761       0.9879392 37.32996       1.280047  46.45047       1.553691  -7.048126      1.548787  
1 1 1 23  4  12 o 85.03046 0.9574576 72.29937       1.626325  70.34530       2.235368  74.49686       2.370520  -2.434013      1.914915  
1 1 1 23  4  13 o 65.79313 0.7843506 43.33189       1.032078  43.30196       1.454822  43.36221       1.464381  -0.4534912E-01 1.568701  
1 1 1 23  4  14 o 32.33104 0.5719718 10.30546       0.3670399 9.168230       0.4846159 11.83546       0.5621079 -4.121962      1.143944  
1 1 1 23  4  15 o 116.5856 1.265695  136.3542       2.951231  136.1351       4.168528  136.5744       4.178833  -0.1874924     2.531391  
1 1 1 23  4  16 o 72.01990 0.8410702 51.84856       1.210007  53.77593       1.765010  50.13950       1.662044  2.518501       1.682140  
1 1 1 23  4  17 o 35.67312 0.6929866 12.79912       0.4749811 12.95968       0.5962282 12.52024       0.7858074 0.6259460      1.385973  
1 1 1 23  4  18 o 47.52995 0.8834841 22.63394       0.8397212 22.73046       1.179161  22.53463       1.196111  0.2072563      1.766968  
1 1 1 23  4  19 o 30.33751 0.6783101 9.190022       0.4033957 9.335231       0.6395166 9.094067       0.5198668 0.3903179      1.356620  
1 1 1 23  4  20 o 65.86588 0.7957162 43.43980       1.047902  42.71264       1.460485  44.21136       1.504404  -1.134293      1.591432  
1 1 1 23  4  21 o 36.80076 0.6101962 13.49127       0.4479769 14.79794       0.6595106 12.37195       0.6104054 3.292992       1.220392  
1 1 1 23  4  22 o 59.14442 0.7445099 35.02091       0.8802612 34.46325       1.222781  35.62078       1.268216  -0.9749184     1.489020  
1 1 1 23  4  23 f 42.02332 0.8229243 16.92619       0.6216953 19.46584       1.210732  16.01678       0.7245044 4.058140       1.645849  
1 1 1 23  4  24 o 85.69948 1.399545  73.94363       2.398762  73.32024       3.384995  74.57249       3.399778  -0.7280655     2.799090  
1 1 1 23  4  25 o 54.91267 0.7174692 30.00947       0.7847617 32.45424       1.176505  28.04983       1.053325  3.998734       1.434938  
1 1 1 23  4  26 o 17.43581 0.7387343 3.037362       0.2566501 2.687351       0.3533898 3.428024       0.3733481 -2.122000      1.477469  
1 1 1 23  4  27 o 33.12532 0.6127599 10.95020       0.4051995 11.86209       0.5927386 10.15020       0.5551807 2.580671       1.225520  
1 1 1 23  4  28 f 22.59636 0.6490164 5.114899       0.2932859 5.198501       0.4155628 5.031933       0.4139794 0.3684216      1.298033  
1 1 1 23  4  29 o 12.69217 0.9522384 1.652050       0.2364799 1.934465       0.3236404 1.328551       0.3463828 2.390333       1.904477  
1 1 1 23  4  30 o 29.63019 0.7310268 8.748149       0.4233239 9.054987       0.6799792 8.553968       0.5409359 0.8277855      1.462054  
1 1 1 23  4  31 o 33.80643 0.6343201 11.45146       0.4288711 11.41942       0.6040319 11.48404       0.6090296 -0.9502411E-01 1.268640  
1 1 1 23  4  32 o 17.37321 0.7937543 3.005953       0.2744885 2.634043       0.3721375 3.449730       0.4065062 -2.342529      1.587509  
1 1 1 23  4  33 o 18.41871 0.7734234 3.402905       0.2847240 3.378257       0.3949597 3.429574       0.4108301 -0.1368752     1.546847  
1 1 1 23  4  34 o 8.475083 1.438177  0.8592501      0.2769345 1.251077       0.3366890 0.3969853E-01  0.4869338 5.344977       2.876354  
1 1 1 23  4  35 o 24.66932 0.8211574 6.141616       0.4029722 5.723032       0.5879423 6.512463       0.5534023 -1.606287      1.642315  
1 1 1 23  4  36 o 41.90585 0.7559376 17.47710       0.6201323 18.33590       0.9941356 16.93007       0.7934225 1.642841       1.511875  
1 1 1 23  4  37 o 16.44854 1.125370  2.705300       0.3572215 2.639392       0.4471869 2.821516       0.5938144 -0.5128918     2.250739  
1 1 1 23  4  38 o 15.61711 0.9483939 2.463885       0.2949506 2.676987       0.4123950 2.240722       0.4220177 1.398971       1.896788  
1 1 1 23  5  0  o 48.42937 0.6397463 23.46341       0.6196470 23.49904       0.8752857 23.42760       0.8773441 0.7379532E-01  1.279493  
1 1 1 23  5  1  o 37.00330 0.5716388 13.47773       0.4196040 15.63566       0.6440662 11.88638       0.5530890 5.064320       1.143278  
1 1 1 23  5  2  o 57.08711 0.7048436 32.59537       0.8045911 33.15161       1.151948  32.06553       1.124284  0.9505196      1.409687  
1 1 1 23  5  3  o 55.48492 0.6944086 30.44833       0.7649753 28.00840       1.010117  33.72955       1.171386  -5.151119      1.388817  
1 1 1 23  5  4  o 70.79663 0.8230805 50.12493       1.164823  51.29513       1.680584  49.04305       1.615934  1.588249       1.646161  
1 1 1 23  5  5  o 34.36489 0.5558205 11.78952       0.3815864 11.29014       0.5247639 12.34985       0.5558679 -1.541077      1.111641  
1 1 1 23  5  6  o 53.03934 0.6756273 28.02075       0.7147227 29.85488       1.060013  26.49183       0.9678091 3.167503       1.351255  
1 1 1 23  5  7  f 90.09967 1.002908  81.28594       1.807197  81.02789       2.546132  81.54792       2.565504  -0.2876816     2.005817  
1 1 1 23  5  8  o 67.22646 0.7921628 45.13273       1.063352  43.57054       1.454359  46.92705       1.558668  -2.492371      1.584326  
1 1 1 23  5  9  o 47.71162 0.6375322 22.77412       0.6083092 23.11448       0.8661799 22.44289       0.8544973 0.7034187      1.275064  
1 1 1 23  5  10 o 105.8287 1.155294  111.8360       2.438460  107.3530       3.303636  117.2016       3.614269  -4.633904      2.310588  
1 1 1 23  5  11 o 53.72428 0.6852854 28.69207       0.7330250 26.96597       0.9816115 30.86805       1.102132  -3.627045      1.370571  
1 1 1 23  5  12 o 66.14185 0.7874152 43.62550       1.038835  41.64587       1.407910  45.99127       1.539109  -3.278969      1.574830  
1 1 1 23  5  13 o 52.55698 1.013636  27.61454       1.064148  26.53579       1.460999  28.83357       1.553084  -2.180134      2.027273  
1 1 1 23  5  14 o 62.47755 0.7594889 39.07477       0.9489455 38.79965       1.332029  39.35828       1.352223  -0.4460106     1.518978  
1 1 1 23  5  15 f 74.75976 0.8661122 55.91228       1.294033  57.49112       1.874840  54.47583       1.788303  2.011398       1.732224  
1 1 1 23  5  16 o 51.36711 0.6758897 26.40557       0.6942820 26.10044       0.9724469 26.72281       0.9915580 -0.6048546     1.351779  
1 1 1 23  5  17 f 80.30534 0.9181129 64.42342       1.471489  67.44657       2.168058  61.84138       2.003652  3.477745       1.836226  
1 1 1 23  5  18 o 53.01333 0.6898925 28.12057       0.7311659 27.61701       1.016418  28.66059       1.052579  -0.9821281     1.379785  
1 1 1 23  5  19 o 36.42771 0.6986225 12.68642       0.4752564 11.71812       0.5677203 14.95429       0.8688381 -4.422596      1.397245  
1 1 1 23  5  20 o 23.92733 0.7488846 5.750491       0.3573645 6.102227       0.4982691 5.377904       0.5128247 1.514690       1.497769  
1 1 1 23  5  21 f 30.36085 0.6824249 9.084023       0.4023830 9.829390       0.6636568 8.650733       0.5059976 1.929794       1.364850  
1 1 1 23  5  22 f 28.58330 0.9866977 8.192236       0.5639089 7.928696       0.7903545 8.465509       0.8048174 -0.9374580     1.973395  
1 1 1 23  5  23 o 43.70268 0.8301588 19.25490       0.6661513 19.42838       0.7991659 18.85994       1.205853  0.6893425      1.660318  
1 1 1 23  5  24 o 30.84798 0.6172534 9.499383       0.3796013 10.63685       0.5524343 8.481881       0.5224910 3.490553       1.234507  
1 1 1 23  5  25 o 55.66502 0.7217693 31.04665       0.8035369 30.84044       1.134003  31.25460       1.138757  -0.3715591     1.443539  
1 1 1 23  5  26 o 22.33212 0.6525998 5.002783       0.2897961 5.707128       0.4147835 4.331085       0.4050568 3.079994       1.305200  
1 1 1 23  5  27 f 39.35518 0.6301304 15.50049       0.4957686 14.99678       0.6896645 16.03912       0.7131717 -1.322124      1.260261  
1 1 1 23  5  28 o 20.78591 0.8113710 4.270504       0.3208962 4.137971       0.3939884 4.531684       0.5530881 -0.9279900     1.622742  
1 1 1 23  5  29 o 16.49808 0.7759909 2.718856       0.2547901 2.361837       0.3495221 3.123709       0.3722017 -2.306075      1.551982  
1 1 1 23  5  30 f 16.38903 0.7890455 2.704114       0.2572943 3.014060       0.3633550 2.392407       0.3643855 1.896697       1.578091  
1 1 1 23  5  31 o 28.13591 0.6542213 7.803735       0.3644824 9.532699       0.5535596 6.480499       0.4842728 5.416012       1.308443  
1 1 1 23  5  32 f 6.265025 1.493490  0.3683003      0.2212396 0.3356340      0.2994602 0.4075571      0.3282822 -0.4883447     2.986979  
1 1 1 23  5  33 o 32.57407 0.6550192 10.58777       0.4254111 11.83103       0.6235490 9.505200       0.5818570 3.564629       1.310038  
1 1 1 23  5  34 o 56.64289 0.7520004 32.19624       0.8519062 32.20559       1.203219  32.18684       1.206341  0.1707077E-01  1.504001  
1 1 1 23  5  35 o 17.31176 1.305687  2.920264       0.4433752 3.847449       0.7029234 2.307640       0.5713754 4.409572       2.611374  
1 1 1 23  5  36 o 35.85492 1.073559  12.68124       0.7073261 12.28308       0.8411245 13.64273       1.307091  -1.781410      2.147118  
1 1 1 23  5  37 o 19.91281 0.7990895 3.945343       0.3159299 3.338276       0.4263025 4.684976       0.4705524 -3.372599      1.598179  
1 1 1 23  5  38 o 11.19527 1.374744  1.207288       0.2924609 0.9443140      0.3637516 1.688096       0.4918516 -3.432853      2.749487  
1 1 1 23  6  0  o 23.08939 0.5307038 5.334183       0.2449582 5.386436       0.3422243 5.279283       0.3507805 0.2322006      1.061408  
1 1 1 23  6  1  o 34.20176 0.5537232 11.69607       0.3786119 11.52388       0.5265517 11.88040       0.5447900 -0.5208168     1.107446  
1 1 1 23  6  2  o 26.24005 0.5301067 6.691698       0.2740702 5.464566       0.3560858 8.475184       0.4292834 -5.735106      1.060213  
1 1 1 23  6  3  o 50.43409 0.6577404 25.41895       0.6629626 24.68020       0.9163042 26.23049       0.9603899 -1.535683      1.315481  
1 1 1 23  6  4  o 78.38728 0.8925542 61.50690       1.399290  61.68383       1.982913  61.33138       1.974902  0.2244949      1.785108  
1 1 1 23  6  5  o 76.21626 0.8767802 57.72387       1.329461  62.15437       2.009095  54.27269       1.773205  5.161186       1.753560  
1 1 1 23  6  6  o 48.34177 0.6363930 23.19788       0.6121305 21.65742       0.8167363 25.17226       0.9246368 -3.632198      1.272786  
1 1 1 23  6  7  o 63.70427 0.7615665 40.59429       0.9700074 41.43645       1.392928  39.80136       1.351600  1.281811       1.523133  
1 1 1 23  6  8  o 63.47695 0.7622155 40.32180       0.9675822 40.72378       1.379258  39.93227       1.357732  0.6226273      1.524431  
1 1 1 23  6  9  o 55.50275 0.6959822 30.82091       0.7724876 31.32397       1.102625  30.33597       1.082576  0.8893013      1.391964  
1 1 1 23  6  10 o 117.5295 1.271846  138.4666       2.989425  137.5599       4.201199  139.3965       4.254681  -0.7776337     2.543692  
1 1 1 23  6  11 o 77.89323 0.8896819 60.64473       1.384175  58.80774       1.899432  62.72499       2.021284  -2.508354      1.779364  
1 1 1 23  6  12 o 47.24907 0.6351786 22.21944       0.5982226 20.92252       0.8066442 23.80456       0.8917762 -3.046539      1.270357  
1 1 1 23  6  13 o 48.90578 0.6489712 23.85120       0.6331963 22.78306       0.8594351 25.11941       0.9364653 -2.385250      1.297942  
1 1 1 23  6  14 f 27.93418 0.5587522 7.590319       0.3077826 6.373610       0.3985590 9.387897       0.4844432 -5.391964      1.117504  
1 1 1 23  6  15 o 39.89639 0.6015288 15.92742       0.4798968 15.85779       0.6719345 15.99991       0.6856256 -0.1775246     1.203058  
1 1 1 23  6  16 o 72.25620 1.231070  52.13192       1.773318  55.45541       2.640267  49.40054       2.393548  4.166183       2.462141  
1 1 1 23  6  17 o 63.19168 0.7680013 39.98767       0.9706198 40.07127       1.371241  39.90372       1.374091  0.1327591      1.536003  
1 1 1 23  6  18 o 39.50356 0.6082730 15.59214       0.4798049 15.16300       0.6567563 16.08335       0.7026605 -1.162430      1.216546  
1 1 1 23  6  19 o 54.02428 0.7017764 29.21969       0.7581367 28.90676       1.060722  29.54649       1.083992  -0.5904922     1.403553  
1 1 1 23  6  20 o 39.75657 0.9684678 15.74024       0.7673752 14.44337       1.035370  17.32095       1.143070  -3.608147      1.936936  
1 1 1 23  6  21 o 25.68895 1.007096  6.609358       0.5174249 6.609358       0.5174249 ?              ?         ?              ?         
1 1 1 23  6  22 o 40.97293 0.8176272 16.80026       0.6689178 16.43141       0.9160962 17.22152       0.9790211 -0.9583015     1.635254  
1 1 1 23  6  23 o 47.67222 0.6670311 22.63463       0.6337520 21.31166       0.8537059 24.25874       0.9458874 -3.083477      1.334062  
1 1 1 23  6  24 o 32.67980 0.6156420 10.69835       0.4021700 11.09774       0.5687482 10.29896       0.5687603 1.222130       1.231284  
1 1 1 23  6  25 o 35.04969 0.6202989 12.23435       0.4333535 11.49959       0.5841773 13.13347       0.6462166 -2.325581      1.240598  
1 1 1 23  6  26 o 41.89581 0.6524549 17.56847       0.5462275 17.27007       0.7543640 17.89737       0.7919722 -0.7451973     1.304910  
1 1 1 23  6  27 o 46.80428 0.6720197 21.85384       0.6276017 20.57899       0.8528332 23.35979       0.9269131 -2.963387      1.344039  
1 1 1 23  6  28 o 56.62611 0.7357714 32.12213       0.8329757 31.45864       1.159071  32.83082       1.197900  -1.207199      1.471543  
1 1 1 23  6  29 o 33.62442 0.6199291 11.32628       0.4168566 11.54517       0.5920836 11.11115       0.5869977 0.6448517      1.239858  
1 1 1 23  6  30 o 31.28214 0.6274865 9.800157       0.3924795 9.592684       0.5474805 10.01951       0.5629420 -0.6805172     1.254973  
1 1 1 23  6  31 o 6.677452 1.356924  0.4342592      0.2201783 0.7569103      0.2985089 0.4927279E-01  0.3260720 3.651221       2.713848  
1 1 1 23  6  32 f 13.61113 0.9259269 1.868784       0.2495617 1.918493       0.3329894 1.805083       0.3769523 0.4245005      1.851854  
1 1 1 23  6  33 o 20.81932 0.7311499 4.353571       0.3039915 4.583082       0.4273273 4.118427       0.4325379 1.116690       1.462300  
1 1 1 23  6  34 o 18.64571 1.292526  3.482939       0.4782356 3.749175       0.7327774 3.285405       0.6311898 1.214258       2.585052  
1 1 1 23  6  35 f 15.31934 0.9021701 2.337493       0.2746733 2.179078       0.3644291 2.545845       0.4179392 -1.186299      1.804340  
1 1 1 23  6  36 o 11.50076 1.253651  1.246005       0.2760647 1.042376       0.3361234 1.668091       0.4839264 -2.675818      2.507302  
1 1 1 23  6  37 o 14.13177 1.107732  2.014467       0.3078938 1.558171       0.4230831 2.528195       0.4489197 -3.425035      2.215463  
1 1 1 23  6  38 o 15.99227 1.758726  2.870981       0.4764413 2.185101       0.8684501 3.166296       0.5698529 -3.441096      3.517452  
1 1 1 23  7  0  o 51.87674 0.6636215 26.92560       0.6885245 26.97617       0.9722862 26.87472       0.9751616 0.9785461E-01  1.327243  
1 1 1 23  7  1  o 25.87069 0.5111514 6.690954       0.2643932 6.525785       0.3683730 6.866434       0.3797012 -0.6581230     1.022303  
1 1 1 23  7  2  o 57.43598 0.7074904 33.00919       0.8127009 33.20567       1.151148  32.81393       1.147526  0.3409119      1.414981  
1 1 1 23  7  3  o 57.64537 0.7084848 33.18801       0.8159364 34.61967       1.188124  31.91016       1.122488  2.348064       1.416970  
1 1 1 23  7  4  o 85.35228 0.9578265 72.89598       1.634437  74.36912       2.351154  71.51834       2.273679  1.666603       1.915653  
1 1 1 23  7  5  o 14.02658 0.5383093 1.934161       0.1488781 1.529462       0.1978694 2.462194       0.2260182 -3.324162      1.076619  
1 1 1 23  7  6  o 41.44027 0.5849506 17.14208       0.4840327 16.52853       0.6621177 17.84635       0.7093742 -1.588669      1.169901  
1 1 1 23  7  7  o 20.95034 0.5087009 4.311409       0.2109708 3.593099       0.2791343 5.268417       0.3221921 -3.997189      1.017402  
1 1 1 23  7  8  o 52.30094 0.6731830 27.31280       0.7032614 26.21869       0.9651455 28.55126       1.026843  -2.227745      1.346366  
1 1 1 23  7  9  o 60.77994 0.7364525 36.94679       0.8947208 36.24340       1.240398  37.70970       1.291821  -1.204174      1.472905  
1 1 1 23  7  10 o 73.87085 0.8548964 54.59762       1.262482  53.50509       1.753989  55.77212       1.818602  -1.531326      1.709793  
1 1 1 23  7  11 o 9.181004 0.7642449 0.8763642      0.1350009 1.034436       0.1798640 0.6724185      0.2043029 1.972648       1.528490  
1 1 1 23  7  12 o 27.51772 0.5400745 7.573706       0.2967613 8.169904       0.4247741 7.005255       0.4147722 2.115822       1.080149  
1 1 1 23  7  13 o 44.81107 0.6212137 20.07398       0.5562131 19.62867       0.7668729 20.56827       0.8079414 -1.046612      1.242427  
1 1 1 23  7  14 o 114.0438 1.239793  130.4344       2.827427  131.7731       4.039099  129.1482       3.959268  1.143867       2.479585  
1 1 1 23  7  15 o 43.18388 0.6152442 18.52754       0.5289555 17.29822       0.7079639 20.08096       0.7958347 -3.217854      1.230488  
1 1 1 23  7  16 o 61.94435 0.7566285 38.42188       0.9373590 38.38296       1.321207  38.46133       1.330089  -0.6270599E-01 1.513257  
1 1 1 23  7  17 o 52.18715 0.6839964 27.21166       0.7131625 28.51122       1.037831  26.04901       0.9816406 2.355690       1.367993  
1 1 1 23  7  18 o 68.44492 1.205821  46.99721       1.650000  45.94314       2.294478  48.12607       2.374482  -1.585587      2.411641  
1 1 1 23  7  19 o 77.54471 1.308814  60.38417       2.028757  61.80985       2.927709  59.06721       2.813868  1.753136       2.617628  
1 1 1 23  7  20 o 34.60232 0.5922428 11.85340       0.4074082 10.77825       0.5413778 13.25735       0.6186469 -3.577438      1.184486  
1 1 1 23  7  21 f 60.10191 0.7516274 36.15943       0.9031020 37.12870       1.300520  35.25675       1.255051  1.553509       1.503255  
1 1 1 23  7  22 o 73.47734 1.049690  53.27342       1.436552  51.74623       1.727948  56.69121       2.584979  -3.259361      2.099381  
1 1 1 23  7  23 o 45.37903 0.8569505 20.64970       0.7776387 20.97220       1.096999  20.32395       1.102516  0.7148628      1.713901  
1 1 1 23  7  24 o 94.95992 1.142703  90.81165       2.159763  88.51759       3.192679  92.74719       2.932601  -2.266823      2.285406  
1 1 1 23  7  25 o 29.23442 0.7117530 8.551027       0.4154383 7.869766       0.5766703 9.286075       0.5990028 -2.420153      1.423506  
1 1 1 23  7  26 o 29.67389 0.6161586 8.792431       0.3646786 8.480825       0.4944753 9.164044       0.5399923 -1.147144      1.232317  
1 1 1 23  7  27 o 47.40891 0.6766044 22.49920       0.6410703 22.02823       0.8864583 23.01557       0.9282024 -1.037109      1.353209  
1 1 1 23  7  28 o 28.42070 0.6276008 8.076943       0.3559513 8.867513       0.5146638 7.352034       0.4928282 2.663918       1.255202  
1 1 1 23  7  29 o 61.70734 0.7772435 38.19003       0.9591926 37.96422       1.349039  38.42089       1.364092  -0.3679733     1.554487  
1 1 1 23  7  30 o 45.03195 0.6655599 20.31918       0.5993533 20.60958       0.8559803 20.03985       0.8394875 0.6306419      1.331120  
1 1 1 23  7  31 o 24.32464 0.6589648 5.888901       0.3194512 5.346463       0.4318188 6.544626       0.4747747 -2.457588      1.317930  
1 1 1 23  7  32 o 12.73750 1.194122  1.637077       0.2920851 1.629557       0.4856980 1.641338       0.3655773 -0.7447433E-01 2.388243  
1 1 1 23  7  33 o 12.34313 1.489707  1.640057       0.3224128 1.742183       0.3870042 1.408380       0.5828941 1.626732       2.979414  
1 1 1 23  7  34 o 29.52763 0.6602266 8.720295       0.3892690 8.366240       0.5323303 9.127213       0.5706881 -1.282978      1.320453  
1 1 1 23  7  35 o 46.81647 0.6982109 21.97741       0.6535791 21.58809       0.9114383 22.38951       0.9377229 -0.8517189     1.396422  
1 1 1 23  7  36 f 15.82304 0.8871558 2.528604       0.2786686 2.621585       0.3762031 2.415557       0.4148138 0.6595297      1.774312  
1 1 1 23  7  37 o 23.16214 0.8543453 5.469992       0.3744754 5.645778       0.4644373 5.143363       0.6330861 1.119034       1.708691  
1 1 1 23  8  0  o 67.11068 1.172250  44.91511       1.569067  47.78524       2.327198  42.52294       2.124605  3.910126       2.344500  
1 1 1 23  8  1  f 63.15846 1.128902  39.94055       1.425517  39.44830       1.985845  40.46386       2.047541  -0.8008499     2.257803  
1 1 1 23  8  2  o 89.02573 1.441339  79.02741       2.556097  84.26020       3.827923  74.81659       3.433836  5.277977       2.882677  
1 1 1 23  8  3  o 83.32208 1.368348  69.47354       2.277071  67.40375       3.122185  71.82551       3.328208  -2.640282      2.736696  
1 1 1 23  8  4  o 48.12399 0.9958203 22.99808       0.9539623 21.24233       1.275877  25.22402       1.436590  -4.129200      1.991641  
1 1 1 23  8  5  o 23.50497 1.050906  5.410958       0.4854914 4.181649       0.6402582 7.074007       0.7446924 -6.147219      2.101812  
1 1 1 23  8  6  o 35.24424 0.9373347 12.40556       0.6598492 11.76522       0.9060620 13.12870       0.9628613 -1.931561      1.874669  
1 1 1 23  8  7  o 35.21437 0.9403568 12.39932       0.6617290 11.98911       0.9132821 12.85269       0.9601267 -1.223812      1.880714  
1 1 1 23  8  8  o 51.58293 1.026796  26.64641       1.059166  26.35113       1.483464  26.95348       1.512740  -0.5822144     2.053591  
1 1 1 23  8  9  o 92.33681 1.491036  85.46440       2.751088  83.30590       3.794805  87.85557       3.994093  -2.446747      2.982072  
1 1 1 23  8  10 o 63.89798 1.146765  40.88907       1.464886  42.06355       2.109705  39.79565       2.035606  1.769463       2.293529  
1 1 1 23  8  11 o 63.50069 1.139018  40.24971       1.442411  38.26598       1.951753  42.63707       2.141128  -3.427399      2.278036  
1 1 1 23  8  12 o 39.34462 0.5784745 15.48760       0.4551140 15.91195       0.6479060 15.07428       0.6394342 1.064186       1.156949  
1 1 1 23  8  13 o 79.11606 0.9034542 62.65959       1.429040  63.97421       2.054972  61.42853       1.988597  1.604622       1.806908  
1 1 1 23  8  14 o 49.56181 0.6544969 24.31698       0.6440147 22.48358       0.8503852 26.78266       0.9861753 -4.330410      1.308994  
1 1 1 23  8  15 o 63.79079 0.7714415 40.74687       0.9841934 40.50942       1.385945  40.98841       1.397851  -0.3746910     1.542883  
1 1 1 23  8  16 o 13.67727 1.632349  1.912554       0.4367955 1.948953       0.6073070 1.873546       0.6286923 0.4862452      3.264698  
1 1 1 23  8  17 o 60.79683 0.9553604 37.04872       1.071629  37.04580       1.287452  37.05530       1.933550  0.4800415E-01  1.910721  
1 1 1 23  8  18 o 111.9842 1.223858  125.7205       2.737245  129.9494       4.000108  121.9965       3.753727  3.520439       2.447716  
1 1 1 23  8  19 o 7.883612 1.064403  0.6080195      0.1621029 0.3631182      0.2100969 0.9682738      0.2548172 -3.888471      2.128807  
1 1 1 23  8  20 o 44.38632 0.6376787 19.72328       0.5659932 20.22881       0.8053547 19.22992       0.7956051 1.124538       1.275357  
1 1 1 23  8  21 o 52.45148 1.068889  27.48812       1.118533  25.78478       1.518520  29.50851       1.653816  -3.532829      2.137778  
1 1 1 23  8  22 f 31.86436 0.5975580 10.14522       0.3800425 11.10246       0.5500622 9.270941       0.5256885 2.872116       1.195116  
1 1 1 23  8  23 f 73.27509 1.184582  53.79204       1.731170  51.68766       2.345576  56.30991       2.565694  -3.119598      2.369164  
1 1 1 23  8  24 o 44.23457 0.8359534 19.62052       0.7393500 19.65945       1.033891  19.57977       1.057714  0.9277344E-01  1.671907  
1 1 1 23  8  25 o 36.29609 0.6943077 13.28802       0.4979940 12.56778       0.7534913 13.84664       0.6635847 -1.770515      1.388615  
1 1 1 23  8  26 o 10.37021 1.006652  1.105896       0.2018918 1.202863       0.2617474 0.9634755      0.3172186 1.162224       2.013305  
1 1 1 23  8  27 o 72.53832 0.8670682 52.70070       1.256373  54.58475       1.832777  51.03051       1.725620  2.435410       1.734136  
1 1 1 23  8  28 o 33.29279 0.6238804 11.06343       0.4141510 10.60348       0.5600593 11.61843       0.6152144 -1.518349      1.247761  
1 1 1 23  8  29 o 27.30614 0.6248513 7.472090       0.3410634 7.781957       0.4837864 7.165910       0.4808995 1.127720       1.249703  
1 1 1 23  8  30 o 62.33653 0.7826182 38.89226       0.9743297 37.39894       1.335114  40.59367       1.425104  -2.549770      1.565236  
1 1 1 23  8  31 o 17.48479 1.378747  3.070737       0.4745792 3.191615       0.7458171 2.988491       0.6151986 0.5459099      2.757493  
1 1 1 23  8  32 f 37.72576 0.7050990 14.19927       0.5224538 13.89605       0.6743850 14.65445       0.8262559 -0.9836349     1.410198  
1 1 1 23  8  33 o 38.00990 0.6511045 14.48335       0.4948793 14.34315       0.6921018 14.63002       0.7078953 -0.3750648     1.302209  
1 1 1 23  8  34 o 50.88351 0.7141771 25.96754       0.7266681 25.63358       1.016085  26.31717       1.039648  -0.6679878     1.428354  
1 1 1 23  8  35 o 25.49843 0.6959854 6.531405       0.3544265 6.747805       0.4938242 6.301511       0.5089892 0.8776360      1.391971  
1 1 1 23  8  36 o 26.85656 0.6914326 7.243052       0.3710850 7.451387       0.5196320 7.026230       0.5301119 0.7933521      1.382865  
1 1 1 23  8  37 f 19.95303 0.9189355 3.960175       0.3566384 3.820870       0.4507468 4.193367       0.5831848 -0.9033127     1.837871  
1 1 1 23  9  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  9  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  9  2  f 29.12813 1.238424  8.384132       0.6801304 8.853043       1.193335  8.158534       0.8277256 1.170650       2.476848  
1 1 1 23  9  3  o 61.93960 1.129172  38.33403       1.396382  36.82245       1.907469  40.07956       2.049767  -2.621296      2.258344  
1 1 1 23  9  4  o 12.07786 1.701013  1.509274       0.3957952 1.394920       0.5391300 1.642953       0.5829077 -1.014651      3.402026  
1 1 1 23  9  5  f 92.73988 1.496110  86.27452       2.774350  85.36738       3.874815  87.22874       3.974115  -0.9956665     2.992219  
1 1 1 23  9  6  o 33.51466 0.9719865 11.13162       0.6480985 9.901796       0.8679828 12.68118       0.9743021 -4.140932      1.943973  
1 1 1 23  9  7  f 39.09507 0.9732933 15.29484       0.7602802 15.04823       1.048857  15.56788       1.103630  -0.6616325     1.946587  
1 1 1 23  9  8  o 42.39800 0.9805009 17.99531       0.8311982 17.62296       1.159066  18.38953       1.192637  -0.9021072     1.961002  
1 1 1 23  9  9  o 32.96189 0.9773356 10.88149       0.6437755 10.84357       0.8919333 10.92272       0.9301401 -0.1177597     1.954671  
1 1 1 23  9  10 o 30.48343 0.9974190 9.273833       0.6067254 8.781287       0.8248665 9.854428       0.8955656 -1.755424      1.994838  
1 1 1 23  9  11 o 51.74266 1.044925  26.76251       1.079283  25.78300       1.472320  27.90022       1.586770  -2.037502      2.089850  
1 1 1 23  9  12 o 50.42012 1.040127  25.45150       1.048298  26.59668       1.508002  24.38059       1.458281  2.193985       2.080254  
1 1 1 23  9  13 o 45.22128 0.9993439 20.38770       0.9007197 19.28583       1.213921  21.73743       1.343538  -2.700882      1.998688  
1 1 1 23  9  14 o 38.01934 0.9725547 14.48537       0.7394275 14.80316       1.050083  14.17283       1.041388  0.8282661      1.945109  
1 1 1 23  9  15 o 56.05870 1.085437  31.48046       1.216114  30.61265       1.681847  32.43137       1.760542  -1.614845      2.170874  
1 1 1 23  9  16 o 64.43021 0.7753447 41.57571       0.9990793 41.39651       1.406112  41.75842       1.419811  -0.2798843     1.550689  
1 1 1 23  9  17 o 38.51713 0.5865263 14.73130       0.4500091 16.37741       0.6726529 13.39765       0.6054559 3.864151       1.173053  
1 1 1 23  9  18 o 23.52990 0.5466974 5.553753       0.2567010 5.831068       0.3576823 5.259211       0.3686251 1.215796       1.093395  
1 1 1 23  9  19 o 76.33261 0.8884039 58.33490       1.355075  60.05807       1.967463  56.77982       1.869052  2.137894       1.776808  
1 1 1 23  9  20 o 36.03664 0.5914404 12.99822       0.4260859 12.90436       0.5929685 13.09841       0.6126673 -0.2679024     1.182881  
1 1 1 23  9  21 o 20.53685 0.6425489 4.197990       0.2630292 3.776854       0.3574348 4.695404       0.3884579 -2.233908      1.285098  
1 1 1 23  9  22 o 36.59665 0.6019185 13.33803       0.4391465 12.52812       0.5926678 14.32404       0.6539365 -2.448868      1.203837  
1 1 1 23  9  23 o 36.03196 0.6668190 12.97560       0.4735435 13.17701       0.7377505 12.83447       0.6175504 0.4645004      1.333638  
1 1 1 23  9  24 o 46.63697 0.6593606 21.55820       0.6110756 19.84337       0.8100778 23.82238       0.9308342 -4.254833      1.318721  
1 1 1 23  9  25 o 21.89908 0.7070702 4.833922       0.3058963 5.005684       0.4064453 4.609528       0.4645617 0.9104691      1.414140  
1 1 1 23  9  26 o 27.61583 0.7219275 7.529035       0.3950906 6.834227       0.5177355 8.497805       0.6113443 -3.001774      1.443855  
1 1 1 23  9  27 o 26.92223 0.6168578 7.223079       0.3310191 6.820210       0.4462591 7.715899       0.4935715 -1.658583      1.233716  
1 1 1 23  9  28 o 18.10753 0.7073230 3.336252       0.2522627 3.717676       0.3422614 2.882614       0.3732571 2.309656       1.414646  
1 1 1 23  9  29 o 46.60796 0.7586866 21.94413       0.7003285 20.44796       1.044654  23.16543       0.9438308 -2.928749      1.517373  
1 1 1 23  9  30 o 15.82346 1.578857  2.509037       0.4967067 2.811316       0.7537709 2.277036       0.6603597 1.660436       3.157715  
1 1 1 23  9  31 o 47.50325 0.6842135 22.57623       0.6491525 21.73048       0.8899457 23.53790       0.9489756 -1.894360      1.368427  
1 1 1 23  9  32 o 28.32681 0.6340870 8.032311       0.3586061 7.861955       0.4907042 8.227579       0.5253587 -0.6406403     1.268174  
1 1 1 23  9  33 o 46.86613 0.6862597 21.96755       0.6420456 21.07336       0.8759444 23.00571       0.9438302 -2.051281      1.372519  
1 1 1 23  9  34 o 33.87749 0.6539712 11.51233       0.4428467 11.62977       0.6178308 11.38824       0.6350851 0.3590622      1.307942  
1 1 1 23  9  35 o 62.23063 0.8000010 38.82449       0.9945370 37.34288       1.366794  40.49165       1.449854  -2.513355      1.600002  
1 1 1 23  9  36 o 26.44982 0.6894905 7.032522       0.3637524 7.610507       0.5136496 6.451039       0.5152010 2.192087       1.378981  
1 1 1 23  9  37 o 10.30148 3.597924  0.000000       0.000000  ?              ?         1.013260       0.9144700 ?              ?         
1 1 1 23  10 0  o 29.53909 0.9949214 8.683724       0.5820163 10.53665       0.8582938 7.106379       0.7918999 5.803137       1.989843  
1 1 1 23  10 1  o 91.28171 2.090658  83.58165       3.816777  83.58165       3.816777  ?              ?         ?              ?         
1 1 1 23  10 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  10 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  10 4  o 84.69064 1.983073  0.000000       0.000000  ?              ?         71.94057       3.358954  ?              ?         
1 1 1 23  10 5  o 33.78928 0.9823129 11.41328       0.6629448 11.04992       0.9094520 11.82529       0.9684145 -1.144173      1.964626  
1 1 1 23  10 6  o 67.08086 1.192702  44.77575       1.592164  42.02344       2.126312  48.28850       2.402156  -4.651062      2.385405  
1 1 1 23  10 7  o 72.46058 1.256276  52.25140       1.810965  49.03202       2.414792  56.38926       2.737672  -5.052353      2.512552  
1 1 1 23  10 8  o 50.82626 1.045144  25.88186       1.062131  25.75962       1.483447  26.01044       1.521433  -0.2441673     2.090288  
1 1 1 23  10 9  o 8.163845 2.058432  0.5684708      0.4232725 0.5161082      0.5684025 0.6336539      0.6341802 -0.6410899     4.116865  
1 1 1 23  10 10 f 56.69156 1.095507  32.21434       1.242000  32.11233       1.743193  32.31952       1.770022  -0.1806641     2.191014  
1 1 1 23  10 11 o 10.94206 1.981140  1.263202       0.4372741 1.420773       0.5941738 1.077030       0.6458513 1.416262       3.962281  
1 1 1 23  10 12 o 35.86436 0.9970701 12.78236       0.7117745 11.80732       0.9515165 14.02115       1.072513  -3.077087      1.994140  
1 1 1 23  10 13 o 85.96596 1.424110  74.12930       2.445851  76.79090       3.561514  71.75364       3.364777  2.906708       2.848220  
1 1 1 23  10 14 o 31.39687 1.030035  9.905856       0.6452978 10.41487       0.8991500 9.365235       0.9266491 1.673990       2.060071  
1 1 1 23  10 15 o 73.94386 1.281802  54.85128       1.894364  56.54560       2.740981  53.30191       2.621108  2.179153       2.563603  
1 1 1 23  10 16 f 19.61933 1.282943  3.905087       0.4978253 4.476329       0.6947187 3.302154       0.7137288 2.994823       2.565885  
1 1 1 23  10 17 f 65.54332 1.194596  43.06671       1.564282  44.71406       2.277581  41.59575       2.152198  2.363144       2.389192  
1 1 1 23  10 18 f 37.88202 1.477966  14.39836       1.119767  14.39836       1.119767  ?              ?         ?              ?         
1 1 1 23  10 19 o 18.56311 0.5174537 3.449630       0.1919477 3.467694       0.2664016 3.430127       0.2768074 0.1018028      1.034907  
1 1 1 23  10 20 o 36.96687 0.5858974 13.58052       0.4313266 12.61500       0.5782400 14.79162       0.6476139 -2.939068      1.171795  
1 1 1 23  10 21 o 30.76734 0.5664444 9.474372       0.3484689 9.352015       0.4861845 9.603633       0.4997128 -0.4079113     1.132889  
1 1 1 23  10 22 o 22.09248 0.5668869 4.879864       0.2500988 4.769055       0.3428273 5.005926       0.3656622 -0.5343399     1.133774  
1 1 1 23  10 23 o 22.04184 0.5906453 4.857396       0.2578265 5.832575       0.3752148 3.985061       0.3548780 4.189280       1.181291  
1 1 1 23  10 24 o 17.69865 0.6286110 3.127972       0.2219679 3.009234       0.3014993 3.268494       0.3279915 -0.7300053     1.257222  
1 1 1 23  10 25 o 18.07812 0.6606270 3.217773       0.2367440 2.753473       0.3128481 3.839942       0.3621499 -3.000090      1.321254  
1 1 1 23  10 26 f 36.78054 0.6980371 13.59213       0.5010636 13.71486       0.6434650 13.40308       0.7986335 0.4414215      1.396074  
1 1 1 23  10 27 o 36.57343 0.7655563 13.39584       0.5591071 13.09189       0.7661208 13.74218       0.8178005 -0.8820686     1.531113  
1 1 1 23  10 28 o 30.62343 1.146702  9.443614       0.7019933 9.256065       1.001408  9.624826       0.9843492 -0.6055450     2.293405  
1 1 1 23  10 29 o 49.93720 0.7032420 24.95250       0.7016616 26.21410       1.019620  23.81761       0.9670631 2.392696       1.406484  
1 1 1 23  10 30 o 56.45864 0.7466182 31.90619       0.8418502 30.74744       1.153449  33.22704       1.231492  -2.184425      1.493236  
1 1 1 23  10 31 o 25.37438 0.6359449 6.451441       0.3225254 6.392464       0.4472517 6.515340       0.4655373 -0.2397327     1.271890  
1 1 1 23  10 32 o 15.04927 0.8033758 2.308240       0.2381482 2.591968       0.3244105 1.976646       0.3507099 2.049014       1.606752  
1 1 1 23  10 33 o 36.11383 0.6370409 13.05733       0.4597844 12.57479       0.6357871 13.58637       0.6657113 -1.396267      1.274082  
1 1 1 23  10 34 o 21.51472 0.6955565 4.606866       0.2980446 4.120191       0.4022600 5.199222       0.4437913 -2.500717      1.391113  
1 1 1 23  10 35 f 59.86073 0.7787201 35.98066       0.9321697 36.30967       1.331396  35.66429       1.305557  0.5340462      1.557440  
1 1 1 23  10 36 f 30.00389 0.8100212 8.978449       0.4836202 8.426048       0.6456704 9.684454       0.7299410 -2.079943      1.620042  
1 1 1 23  11 0  o 72.94289 1.260385  53.33182       1.838686  53.21423       2.590861  53.45114       2.609831  -0.1611404     2.520771  
1 1 1 23  11 1  o 60.07479 1.126308  36.11049       1.351694  35.20620       1.858940  37.12499       1.968969  -1.590355      2.252617  
1 1 1 23  11 2  f 121.9727 1.897476  149.4530       4.624963  146.2707       6.387074  152.9609       6.705941  -2.709633      3.794952  
1 1 1 23  11 3  o 49.67768 1.444958  24.71903       1.435644  24.71903       1.435644  ?              ?         ?              ?         
1 1 1 23  11 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  11 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  11 6  o 69.11615 1.746158  0.000000       0.000000  ?              ?         47.90213       2.413754  ?              ?         
1 1 1 23  11 7  o 25.22674 1.092199  6.364470       0.5500566 6.157815       0.7512559 6.603280       0.8075907 -0.8787060     2.184398  
1 1 1 23  11 8  o 57.69412 1.109241  33.30903       1.278291  32.27570       1.754704  34.47756       1.865976  -1.899536      2.218481  
1 1 1 23  11 9  o 21.70498 1.208790  4.733843       0.5233372 4.874639       0.7210319 4.577094       0.7607886 0.6887951      2.417579  
1 1 1 23  11 10 o 49.05205 1.054441  24.11884       1.034271  24.66412       1.464019  23.57555       1.461344  1.109398       2.108881  
1 1 1 23  11 11 o 52.29240 1.069754  27.38472       1.118163  28.41858       1.613999  26.43054       1.550551  1.895470       2.139509  
1 1 1 23  11 12 o 53.47281 1.084911  28.67613       1.160119  28.92447       1.632367  28.42269       1.649071  0.4707108      2.169822  
1 1 1 23  11 13 o 16.84361 1.479956  2.917432       0.4863251 3.507717       0.6709837 2.264156       0.7058775 3.695919       2.959911  
1 1 1 23  11 14 o 110.1606 1.750049  122.3416       3.855644  122.9118       5.474891  121.7806       5.430786  0.5061722      3.500098  
1 1 1 23  11 15 o 58.89566 1.149448  34.79424       1.353382  36.19385       1.941351  33.47090       1.887720  2.305393       2.298895  
1 1 1 23  11 16 o 61.93129 2.410058  0.000000       0.000000  ?              ?         38.68541       2.985160  ?              ?         
1 1 1 23  11 17 o 38.10327 1.030056  14.44323       0.7809917 13.39125       1.042267  15.79018       1.179376  -3.132576      2.060112  
1 1 1 23  11 18 o 66.15478 1.210700  43.97006       1.601804  44.45670       2.277079  43.49335       2.253689  0.7248383      2.421399  
1 1 1 23  11 19 o 40.29243 1.033397  16.15514       0.8291764 14.65427       1.113681  18.02197       1.242060  -4.162907      2.066793  
1 1 1 23  11 20 o 27.44108 1.134001  7.542457       0.6213533 7.152779       0.8498604 7.989972       0.9107483 -1.516502      2.268003  
1 1 1 23  11 21 o 25.33264 1.199334  6.500759       0.6024876 6.944380       0.8193946 5.978638       0.8889403 1.917316       2.398668  
1 1 1 23  11 22 f 28.28447 0.5530285 7.961566       0.3116501 9.001081       0.4594963 7.076006       0.4241073 3.400370       1.106057  
1 1 1 23  11 23 o 27.02747 0.5641458 7.317118       0.3047266 7.393369       0.4242198 7.235832       0.4380079 0.2925682      1.128292  
1 1 1 23  11 24 o 52.17574 0.6999223 27.12130       0.7280643 29.32335       1.083468  25.30829       0.9831093 3.837250       1.399845  
1 1 1 23  11 25 o 33.71627 0.5958218 11.38664       0.4017015 11.40680       0.5629039 11.36572       0.5734257 0.6193924E-01  1.191644  
1 1 1 23  11 26 o 43.92293 0.9694369 19.56780       0.8169543 18.70436       1.347052  20.07015       1.027483  -1.608067      1.938874  
1 1 1 23  11 27 o 13.35712 1.801200  2.128188       0.3138017 2.231803       0.3374145 1.464659       0.8538516 3.116626       3.602401  
1 1 1 23  11 28 o 39.19572 0.7839547 15.39034       0.6140730 16.23700       0.8859882 14.60763       0.8518767 2.073654       1.567909  
1 1 1 23  11 29 o 73.84264 0.9421191 54.90852       1.387006  53.13620       2.023903  56.47802       1.904576  -2.284721      1.884238  
1 1 1 23  11 30 o 20.15074 0.6784368 4.108384       0.2708934 4.496822       0.3713408 3.666520       0.3960544 2.063581       1.356874  
1 1 1 23  11 31 o 65.17737 0.8191083 42.65647       1.067599  42.40960       1.495678  42.91289       1.524357  -0.3808517     1.638217  
1 1 1 23  11 32 o 33.83227 0.6301603 11.47460       0.4263935 11.44042       0.6020373 11.50899       0.6039903 -0.1010666     1.260321  
1 1 1 23  11 33 o 20.26180 0.6917919 4.149842       0.2779678 4.674912       0.3881292 3.596951       0.3982789 2.661715       1.383584  
1 1 1 23  11 34 o 30.09300 0.6416030 9.083991       0.3860913 9.229033       0.5443559 8.937163       0.5476905 0.4854870      1.283206  
1 1 1 23  11 35 o 16.02322 0.9013423 2.685804       0.2737482 2.982281       0.3487034 2.209608       0.4419301 2.431041       1.802685  
1 1 1 23  12 0  o 11.15377 1.954755  1.301540       0.4335911 1.312701       0.5938975 1.288801       0.6344947 0.9631157E-01  3.909511  
1 1 1 23  12 1  o 92.23112 1.503629  85.14011       2.767555  82.06260       3.766930  88.74963       4.079564  -3.598587      3.007258  
1 1 1 23  12 2  o 39.95235 1.012202  15.84337       0.8045587 18.26381       1.199725  13.86516       1.084601  5.498085       2.024404  
1 1 1 23  12 3  o 67.59394 1.209461  45.76195       1.633804  44.75959       2.258251  46.86286       2.366655  -1.547791      2.418922  
1 1 1 23  12 4  o 57.66713 1.113716  33.30431       1.283983  34.42582       1.846204  32.25370       1.786900  1.879017       2.227431  
1 1 1 23  12 5  o 25.99224 1.122592  6.754768       0.5819141 6.551346       0.7889566 6.997465       0.8617556 -0.8525467     2.245184  
1 1 1 23  12 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  12 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  12 8  o 45.59790 1.500055  0.000000       0.000000  ?              ?         20.83965       1.367987  ?              ?         
1 1 1 23  12 9  o 81.32500 1.379501  66.40460       2.243549  67.19823       3.199692  65.63706       3.146686  0.9541168      2.759001  
1 1 1 23  12 10 o 47.44355 1.061229  22.52925       1.006103  23.62805       1.458704  21.53222       1.389506  2.202705       2.122458  
1 1 1 23  12 11 o 45.16764 1.052750  20.38169       0.9491159 22.18783       1.387719  18.79427       1.300981  3.748814       2.105500  
1 1 1 23  12 12 o 50.36938 1.386493  26.26936       1.311435  27.98945       1.630139  23.11380       2.207942  4.910393       2.772987  
1 1 1 23  12 13 o 47.71258 2.205135  0.000000       0.000000  ?              ?         22.91785       2.104254  ?              ?         
1 1 1 23  12 14 o 38.86472 1.051317  15.16177       0.8164667 15.37838       1.136045  14.93035       1.174217  0.5805550      2.102634  
1 1 1 23  12 15 o 47.53082 1.074779  22.67353       1.021459  22.87750       1.432980  22.46283       1.456427  0.4388733      2.149558  
1 1 1 23  12 16 o 40.26697 1.062151  16.27912       0.8549702 16.63267       1.199490  15.91399       1.218966  0.8946724      2.124303  
1 1 1 23  12 17 o 38.24878 1.057913  14.68548       0.8086593 14.73023       1.122839  14.63726       1.165592  0.1268005      2.115826  
1 1 1 23  12 18 o 33.25751 1.069736  11.03960       0.7084109 10.45129       0.9495345 11.77812       1.063876  -1.979717      2.139473  
1 1 1 23  12 19 o 43.34438 1.064521  18.82669       0.9214659 18.18056       1.262265  19.56388       1.348282  -1.583797      2.129042  
1 1 1 23  12 20 f 16.74737 1.584648  2.848599       0.5236964 2.946302       0.6937416 2.719162       0.7984941 0.7004604      3.169295  
1 1 1 23  12 21 o 54.92728 1.133426  30.19676       1.241638  28.73733       1.681078  31.94857       1.841790  -2.897999      2.266852  
1 1 1 23  12 22 o 36.96828 1.088732  13.73204       0.8048688 13.66790       1.128203  13.79852       1.148584  -0.1734467     2.177463  
1 1 1 23  12 23 o 77.03725 1.355002  59.79758       2.087590  60.28512       2.971979  59.32274       2.933003  0.6168137      2.710004  
1 1 1 23  12 24 o 35.27377 0.8799435 12.32162       0.5134566 12.78056       1.106341  12.19563       0.5796654 0.7576790      1.759887  
1 1 1 23  12 25 o 27.64085 0.9886879 7.708990       0.4014452 7.724375       0.4385286 7.629388       0.9974740 0.2612057      1.977376  
1 1 1 23  12 26 o 31.96830 0.5886859 10.23897       0.3763151 10.45008       0.5315741 10.02687       0.5328081 0.6620636      1.177372  
1 1 1 23  12 27 f 22.97118 0.5925280 5.291579       0.2719077 5.432836       0.3788897 5.141577       0.3904416 0.6351986      1.185056  
1 1 1 23  12 28 o 62.82990 0.7931904 39.60881       0.9966507 39.36127       1.399570  39.86348       1.419598  -0.3965759     1.586381  
1 1 1 23  12 29 o 14.69742 0.9079105 2.220378       0.2606359 1.837830       0.3897691 2.529786       0.3505345 -2.361004      1.815821  
1 1 1 23  12 30 o 49.17041 0.8008423 24.36453       0.7755088 23.73760       1.198316  24.81633       1.017262  -1.128796      1.601685  
1 1 1 23  12 31 o 49.41670 0.7051126 24.45201       0.6958680 23.73444       0.9536390 25.26922       1.017693  -1.542938      1.410225  
1 1 1 23  12 32 o 34.46972 0.6279503 11.91243       0.4328863 11.77286       0.6117153 12.05245       0.6126733 -0.4054222     1.255901  
1 1 1 23  12 33 o 5.571358 1.375893  0.2740142      0.1867100 0.2385513      0.2429590 0.3251662      0.2917939 -0.7039928     2.751786  
1 1 1 23  12 34 o 4.004284 1.241310  -0.5958917E-01 0.1880589 -0.3319192E-01 0.2435532 -0.9856582E-01 0.2959490 -0.2000966     2.482620  
1 1 1 23  12 35 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  13 0  o 62.34259 1.167514  38.94064       1.454925  38.44160       2.019314  39.47939       2.098094  -0.8266373     2.335028  
1 1 1 23  13 1  o 24.47482 1.161686  5.964065       0.5663968 5.555709       0.7607945 6.471820       0.8483515 -1.864931      2.323372  
1 1 1 23  13 2  o 69.24457 1.241341  48.08983       1.718995  48.04553       2.415870  48.13527       2.446473  -0.6221008E-01 2.482682  
1 1 1 23  13 3  o 41.85520 1.047234  17.47863       0.8738825 16.62821       1.180299  18.51042       1.300079  -2.239689      2.094469  
1 1 1 23  13 4  o 51.06455 1.085410  26.09274       1.107584  27.38539       1.604976  24.91741       1.530403  2.410854       2.170820  
1 1 1 23  13 5  o 74.39806 1.300845  55.50887       1.934591  54.72173       2.685365  56.35822       2.789453  -1.090302      2.601690  
1 1 1 23  13 6  o 15.34267 1.569906  2.383808       0.4760597 2.501658       0.6363160 2.233983       0.7174654 0.8815928      3.139811  
1 1 1 23  13 7  o 75.52013 1.320019  57.18678       1.992532  59.20301       2.879855  55.33525       2.759715  2.548332       2.640038  
1 1 1 23  13 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  13 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  13 10 o 72.42567 1.840411  0.000000       0.000000  ?              ?         52.67872       2.665859  ?              ?         
1 1 1 23  13 11 o 35.75002 1.081566  12.83784       0.7711658 13.07031       1.057516  12.57383       1.126982  0.7015228      2.163132  
1 1 1 23  13 12 o 55.56374 1.134044  30.98900       1.260140  31.43862       1.782604  30.53987       1.781609  0.8086357      2.268089  
1 1 1 23  13 13 o 42.08006 1.072390  17.64819       0.8992633 16.35419       1.210854  19.23974       1.342867  -3.413815      2.144780  
1 1 1 23  13 14 o 21.94683 1.311001  4.812922       0.5737298 4.417689       0.7775531 5.285275       0.8500359 -1.966364      2.622002  
1 1 1 23  13 15 o 11.08693 2.067139  1.308000       0.4941273 1.851818       0.6715213 0.6658679      0.7297017 4.451388       4.134278  
1 1 1 23  13 16 o 9.464211 2.131671  0.7982537      0.4734005 0.3919160      0.6241527 1.348624       0.7263983 -3.752646      4.263343  
1 1 1 23  13 17 o 23.54498 1.258155  5.582244       0.5916572 5.826456       0.8289270 5.328617       0.8447567 1.059706       2.516310  
1 1 1 23  13 18 o 28.36053 1.163857  7.966568       0.6552905 7.056462       0.8666875 9.181222       1.001251  -3.725285      2.327715  
1 1 1 23  13 19 o 20.09457 1.461762  3.971080       0.5662630 2.683758       0.7440450 5.743075       0.8729450 -7.587400      2.923524  
1 1 1 23  13 20 o 36.27678 1.102817  13.16182       0.7981526 12.33892       1.083513  14.13813       1.180191  -2.464973      2.205634  
1 1 1 23  13 21 o 28.81447 1.211776  8.322707       0.6970323 7.831366       0.9515952 8.891521       1.023874  -1.826847      2.423553  
1 1 1 23  13 22 o 39.11904 1.113903  15.37352       0.8695182 15.24801       1.188067  15.51831       1.276006  -0.3309250     2.227807  
1 1 1 23  13 23 o 24.65122 1.289429  6.090806       0.6339064 5.533716       0.8634239 6.742198       0.9336465 -2.436506      2.578858  
1 1 1 23  13 24 f 15.20881 1.965163  2.365644       0.5797143 1.848285       0.7775638 3.013108       0.8698574 -4.029037      3.930326  
1 1 1 23  13 25 o 8.464447 2.216689  0.4860477      0.5259184 0.3453799E-01  0.7349969 0.9597532      0.7528461 -2.830390      4.433378  
1 1 1 23  13 26 o 12.22233 2.241161  1.584226       0.5528153 1.466265       0.7628987 1.714646       0.8021772 -0.9284868     4.482321  
1 1 1 23  13 27 o 40.05222 0.6281509 16.04258       0.5026135 15.34804       0.6912547 16.82164       0.7321091 -1.834644      1.256302  
1 1 1 23  13 28 o 46.82877 0.6725233 21.86858       0.6279702 20.50571       0.8487689 23.51686       0.9334224 -3.203671      1.345047  
1 1 1 23  13 29 o 46.72969 0.6782642 21.89809       0.6338809 22.14911       0.8992355 21.65016       0.8936761 0.5330315      1.356528  
1 1 1 23  13 30 o 49.39951 0.8782828 24.51390       0.8674608 24.27445       1.209306  24.76771       1.245024  -0.4923401     1.756566  
1 1 1 23  13 31 o 25.05543 0.9057316 0.000000       0.000000  ?              ?         6.294458       0.4538699 ?              ?         
1 1 1 23  13 32 o 19.81540 0.6613883 3.945236       0.2610093 4.017268       0.3550959 3.860580       0.3849553 0.4002552      1.322777  
1 1 1 23  13 33 o 23.44375 1.421603  5.501263       0.6613301 6.153736       1.016024  5.021616       0.8711303 2.364006       2.843206  
1 1 1 23  13 34 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  14 0  o 74.81448 1.311271  56.06250       1.960057  58.43014       2.851378  53.94149       2.698791  2.985794       2.622543  
1 1 1 23  14 1  o 106.6050 1.707591  114.3025       3.640674  114.2072       5.130809  114.3992       5.166760  -0.8576202E-01 3.415181  
1 1 1 23  14 2  o 17.00366 1.535230  2.892782       0.5198131 2.534623       0.7126295 3.300030       0.7598987 -2.245629      3.070461  
1 1 1 23  14 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  14 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  14 5  o 38.05724 1.068855  14.46184       0.8099965 13.92755       1.087668  15.12710       1.213680  -1.565166      2.137710  
1 1 1 23  14 6  o 44.20774 1.072344  19.53128       0.9459616 18.68551       1.286055  20.52830       1.396320  -2.074417      2.144688  
1 1 1 23  14 7  o 52.82219 1.112195  27.85478       1.172224  30.20320       1.727876  25.85224       1.595566  4.105896       2.224391  
1 1 1 23  14 8  o 57.31327 1.151459  32.93975       1.318903  32.50015       1.825408  33.41989       1.907734  -0.7938919     2.302919  
1 1 1 23  14 9  o 22.61258 1.315502  5.149456       0.5927476 5.305674       0.8118700 4.971126       0.8674290 0.7466717      2.631004  
1 1 1 23  14 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  14 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  14 12 o 57.55986 1.657284  0.000000       0.000000  ?              ?         33.26807       1.907861  ?              ?         
1 1 1 23  14 13 o 28.00833 1.159104  7.905544       0.6466961 8.291470       0.8902603 7.474392       0.9409784 1.465137       2.318208  
1 1 1 23  14 14 o 13.30355 1.915830  1.794951       0.5192263 0.7080244      0.6958173 3.160644       0.7799587 -8.808084      3.831660  
1 1 1 23  14 15 o 41.02756 1.088590  16.90832       0.8925155 17.08537       1.241226  16.71877       1.284291  0.4525032      2.177179  
1 1 1 23  14 16 o 48.56091 1.112949  23.68216       1.080694  24.36912       1.540471  23.01644       1.516476  1.389332       2.225898  
1 1 1 23  14 17 o 35.79458 1.110675  12.86755       0.7935260 12.79554       1.086891  12.94975       1.161224  -0.2043343     2.221349  
1 1 1 23  14 18 o 37.97510 1.098811  14.37499       0.8307779 13.32647       1.112129  15.69887       1.249654  -3.102993      2.197623  
1 1 1 23  14 19 o 7.908051 2.165739  0.3468717      0.4969453 0.7643995E-01  0.6647242 0.6895252      0.7482387 -2.132989      4.331479  
1 1 1 23  14 20 o 22.36650 1.379250  5.045117       0.6165048 5.252919       0.8697265 4.835254       0.8740283 0.9345531      2.758499  
1 1 1 23  14 21 o 31.74806 1.162850  10.13095       0.7378514 10.67767       1.057085  9.611500       1.030386  1.674427       2.325701  
1 1 1 23  14 22 o 18.07598 1.647961  3.367859       0.5848568 3.854655       0.7981058 2.803250       0.8595304 2.924734       3.295922  
1 1 1 23  14 23 f 36.94064 1.154986  13.58238       0.8483163 11.90711       1.135793  15.69603       1.275772  -5.100075      2.309972  
1 1 1 23  14 24 o 18.51647 1.629775  3.538694       0.5904571 4.248588       0.8202525 2.775227       0.8506411 3.987070       3.259550  
1 1 1 23  14 25 o 24.15848 1.356249  5.896676       0.6541198 6.323300       0.9275509 5.474595       0.9225991 1.755322       2.712499  
1 1 1 23  14 26 o 40.09174 1.156588  16.18760       0.9272756 15.86738       1.300269  16.51899       1.322752  -0.8076096     2.313177  
1 1 1 23  14 27 o 47.12874 1.165620  22.36876       1.098339  21.66720       1.533067  23.10858       1.574325  -1.519562      2.331240  
1 1 1 23  14 28 o 26.55428 1.386065  7.088770       0.7309425 5.995511       0.9945057 8.373178       1.077947  -4.451715      2.772130  
1 1 1 23  14 29 o 32.25916 0.5874497 10.42847       0.3789042 10.41016       0.5293347 10.44770       0.5426149 -0.5647278E-01 1.174899  
1 1 1 23  14 30 o 6.059979 0.9577038 0.2986579      0.1319559 0.2899989E-01  0.1669902 0.7469743      0.2153162 -5.122083      1.915408  
1 1 1 23  14 31 o 21.68421 0.9632740 0.000000       0.000000  ?              ?         4.717275       0.4177567 ?              ?         
1 1 1 23  14 32 o 22.40575 2.352287  0.000000       0.000000  ?              ?         5.116854       1.054095  ?              ?         
1 1 1 23  14 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  15 0  o 97.16512 1.589197  94.91162       3.088254  95.54646       4.377846  94.28278       4.357128  0.6478271      3.178395  
1 1 1 23  15 1  o 47.50755 1.089501  22.53432       1.032905  24.60961       1.514747  20.73067       1.412141  4.073750       2.179002  
1 1 1 23  15 2  o 44.43574 1.074645  19.80297       0.9547829 20.17338       1.343462  19.42496       1.357177  0.8433189      2.149291  
1 1 1 23  15 3  o 43.45652 1.080397  18.90938       0.9378462 18.42573       1.288618  19.45406       1.367526  -1.176102      2.160795  
1 1 1 23  15 4  o 74.56739 1.321169  55.83211       1.970220  56.63459       2.798512  55.04347       2.774271  1.064178       2.642339  
1 1 1 23  15 5  o 52.23980 1.116008  27.37286       1.165908  27.85927       1.655146  26.89380       1.642612  0.9228516      2.232015  
1 1 1 23  15 6  o 100.2233 1.633555  101.0524       3.272491  103.7538       4.727897  98.56782       4.534180  2.558113       3.267110  
1 1 1 23  15 7  o 21.24940 1.359187  4.549993       0.5760116 4.752456       0.7973446 4.329000       0.8330338 1.001102       2.718375  
1 1 1 23  15 8  o 57.10415 1.153373  32.66258       1.315804  34.52811       1.913240  30.98835       1.812499  3.087505       2.306746  
1 1 1 23  15 9  o 39.95036 1.081043  16.01903       0.8621698 16.07533       1.185047  15.95571       1.256690  0.1577950      2.162085  
1 1 1 23  15 10 o 29.77878 1.153628  8.822970       0.6836919 7.781015       0.9211742 10.10088       1.020157  -3.883041      2.307257  
1 1 1 23  15 11 o 38.32556 1.130883  14.59947       0.8610690 13.53391       1.140354  16.01287       1.313361  -3.212444      2.261765  
1 1 1 23  15 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  15 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  15 14 f 29.65176 1.416457  8.633855       0.8079554 9.653031       1.372670  8.093581       0.9994211 2.562679       2.832914  
1 1 1 23  15 15 o 48.99293 1.124926  24.04812       1.100595  25.86622       1.603528  22.42879       1.513339  3.494640       2.249852  
1 1 1 23  15 16 o 33.13957 1.140146  11.04344       0.7549679 11.20441       1.049814  10.87103       1.086502  0.5086746      2.280292  
1 1 1 23  15 17 o 34.32871 1.142368  11.86479       0.7827504 12.64196       1.102020  11.07348       1.112000  2.286076       2.284736  
1 1 1 23  15 18 o 32.20322 1.204666  10.43440       0.7715374 11.93910       1.109633  9.026091       1.073501  4.516575       2.409331  
1 1 1 23  15 19 o 43.43450 1.144171  18.73162       0.9865900 22.21713       1.484650  15.97521       1.320269  7.157875       2.288343  
1 1 1 23  15 20 o 29.23674 1.206690  8.637623       0.7026783 9.266349       0.9767823 7.963268       1.011607  2.235020       2.413380  
1 1 1 23  15 21 f 8.524443 2.228394  0.4828339      0.5454078 1.012644       0.7442754 -0.1316578     0.8015516 3.068425       4.456789  
1 1 1 23  15 22 o 11.32172 2.218444  1.312022       0.5706154 2.091151       0.7990790 0.5013304      0.8151037 5.470229       4.436887  
1 1 1 23  15 23 o 15.24059 1.971485  2.387728       0.5867016 2.118598       0.7938414 2.711683       0.8709521 -2.163740      3.942970  
1 1 1 23  15 24 o 11.83532 2.186101  1.485661       0.5672811 2.260629       0.7859131 0.6427017      0.8196644 5.648320       4.372202  
1 1 1 23  15 25 o 38.02856 1.169659  14.54905       0.8888703 14.01136       1.227041  15.14276       1.289380  -1.473248      2.339318  
1 1 1 23  15 26 o 45.32161 1.172594  20.63291       1.061110  22.04134       1.554253  19.40334       1.452211  2.886230       2.345187  
1 1 1 23  15 27 f 19.36357 1.686357  3.812517       0.6526350 3.624791       0.9083438 4.012837       0.9383163 -0.9907913     3.372714  
1 1 1 23  15 28 o 54.70194 1.217891  30.09821       1.330175  28.27039       1.820312  32.19259       1.948528  -3.550671      2.435782  
1 1 1 23  15 29 o 24.46616 1.532423  6.094873       0.7442690 7.018328       1.061619  5.202295       1.043720  3.705059       3.064847  
1 1 1 23  15 30 o 39.24005 1.221900  15.54716       0.9585712 15.99392       1.379206  15.12970       1.333213  1.087280       2.443799  
1 1 1 23  15 31 f 29.54881 1.402178  8.855997       0.8277296 8.364710       1.168921  9.350094       1.172259  -1.666233      2.804357  
1 1 1 23  15 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  16 0  o 41.47379 1.071628  17.20993       0.8868924 18.91938       1.284768  15.65375       1.225819  3.931637       2.143257  
1 1 1 23  16 1  o 59.70608 1.168488  35.67572       1.392943  34.27121       1.903372  37.29539       2.043972  -2.518349      2.336975  
1 1 1 23  16 2  o 34.92101 1.073963  12.21475       0.7474709 12.05119       1.012573  12.41060       1.108032  -0.5054665     2.147925  
1 1 1 23  16 3  o 44.12190 1.084299  19.44304       0.9541422 18.45369       1.291612  20.63149       1.415620  -2.455486      2.168598  
1 1 1 23  16 4  o 29.29602 1.159900  8.474484       0.6740720 7.375944       0.8905051 9.948521       1.031531  -4.374805      2.319800  
1 1 1 23  16 5  f 75.38843 1.335915  57.12537       2.014194  57.65946       2.850383  56.59269       2.846623  0.7070084      2.671829  
1 1 1 23  16 6  o 46.42424 1.109358  21.63960       1.029455  22.41204       1.453452  20.86199       1.458300  1.670002       2.218717  
1 1 1 23  16 7  o 50.67325 1.125666  25.77596       1.140754  26.06404       1.611668  25.48674       1.614875  0.5700111      2.251331  
1 1 1 23  16 8  o 12.52079 2.106625  1.603298       0.5254729 1.136099       0.6991342 2.209898       0.7966379 -4.029682      4.213249  
1 1 1 23  16 9  o 45.03657 1.117111  20.32340       1.005235  21.45259       1.458565  19.30180       1.387340  2.378929       2.234223  
1 1 1 23  16 10 o 41.44976 1.105278  17.25586       0.9158970 17.76992       1.292664  16.73763       1.297900  1.245903       2.210557  
1 1 1 23  16 11 o 10.18049 2.206784  0.9281906      0.5109551 0.4614238      0.6603467 1.624609       0.8065982 -4.449522      4.413569  
1 1 1 23  16 12 o 44.66705 1.132469  20.06660       1.010465  20.77817       1.412625  19.32103       1.445986  1.635891       2.264938  
1 1 1 23  16 13 o 36.38434 1.584963  13.30027       1.153357  13.30027       1.153357  ?              ?         ?              ?         
1 1 1 23  16 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  16 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  16 16 f 46.45991 1.144611  21.66038       1.062452  20.85498       1.462089  22.56150       1.546533  -1.822708      2.289221  
1 1 1 23  16 17 o 11.82620 2.266282  1.486828       0.5629610 1.875312       0.7731848 1.048506       0.8212846 2.979127       4.532563  
1 1 1 23  16 18 o 48.17442 1.160765  23.22037       1.114922  25.90175       1.639390  20.91302       1.520759  5.157051       2.321530  
1 1 1 23  16 19 o 13.54710 2.153245  1.939915       0.5881823 2.514833       0.8230341 1.339790       0.8408840 4.374905       4.306491  
1 1 1 23  16 20 o 84.55557 1.476204  72.20731       2.495273  74.12299       3.596376  70.42906       3.464988  2.150528       2.952408  
1 1 1 23  16 21 o 9.585059 2.086668  0.4280682      0.5587987 -0.6722380     0.7341279 1.943710       0.8616148 -7.836270      4.173337  
1 1 1 23  16 22 o 52.60679 1.192477  27.87741       1.254458  28.31436       1.769395  27.43582       1.778787  0.8369980      2.384954  
1 1 1 23  16 23 o 17.16617 1.884342  2.959426       0.6422903 2.602610       0.8513687 3.430780       0.9785177 -2.367166      3.768684  
1 1 1 23  16 24 o 32.91091 1.264717  10.97354       0.8287893 11.91341       1.157640  9.985245       1.187084  2.936735       2.529435  
1 1 1 23  16 25 o 31.23788 1.285600  9.847910       0.8026839 9.371437       1.124116  10.34359       1.146549  -1.550133      2.571201  
1 1 1 23  16 26 o 17.15323 2.041892  3.115375       0.6630062 4.234116       0.9561278 2.079197       0.9201704 6.494717       4.083785  
1 1 1 23  16 27 o 63.30630 1.289145  40.49064       1.631925  40.63116       2.331892  40.35576       2.284616  0.2040405      2.578291  
1 1 1 23  16 28 o 35.15447 1.273618  12.48432       0.8951662 12.94671       1.279685  12.04126       1.252660  1.279835       2.547236  
1 1 1 23  16 29 o 33.05926 1.309113  11.05952       0.8649371 11.64109       1.233365  10.49673       1.213293  1.724209       2.618227  
1 1 1 23  16 30 o 55.74310 1.270816  31.42078       1.416664  30.90040       2.000424  31.94432       2.006521  -0.9344711     2.541632  
1 1 1 23  16 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  17 0  o 62.06568 1.200946  38.67599       1.490664  38.87271       2.100180  38.47627       2.116144  0.3212280      2.401892  
1 1 1 23  17 1  o 11.20113 2.148638  1.285079       0.5045598 0.8952397      0.6908728 1.730676       0.7386292 -3.250112      4.297276  
1 1 1 23  17 2  o 56.99321 1.160426  32.59245       1.321924  32.14201       1.832719  33.08093       1.908551  -0.8146400     2.320853  
1 1 1 23  17 3  o 21.95813 1.317957  4.829164       0.5774003 4.611639       0.7840727 5.086898       0.8534685 -1.072638      2.635915  
1 1 1 23  17 4  f 45.38194 1.092067  20.60110       0.9885445 19.80585       1.340400  21.54946       1.463757  -1.906845      2.184134  
1 1 1 23  17 5  o 42.13013 1.105236  17.82270       0.9308051 18.42195       1.313812  17.21878       1.318917  1.428513       2.210472  
1 1 1 23  17 6  o 72.72263 1.323385  53.08160       1.922077  51.50065       2.635183  54.87881       2.809653  -2.297035      2.646770  
1 1 1 23  17 7  o 11.34093 2.268322  1.292456       0.5405880 0.9673052      0.7129135 1.732346       0.8292127 -2.930195      4.536644  
1 1 1 23  17 8  o 48.07001 1.134951  23.19963       1.090363  24.43901       1.557109  22.00720       1.527334  2.525429       2.269902  
1 1 1 23  17 9  f 51.71671 1.158826  26.86135       1.198256  27.80195       1.711300  25.95661       1.678360  1.779377       2.317652  
1 1 1 23  17 10 o 43.86094 1.136471  19.29138       0.9952824 18.73162       1.361591  19.93363       1.458483  -1.356144      2.272942  
1 1 1 23  17 11 f 51.76199 1.164151  26.93090       1.204849  27.74409       1.708751  26.12686       1.699116  1.560688       2.328303  
1 1 1 23  17 12 f 46.30679 1.161910  21.44701       1.071364  20.48284       1.437135  22.65316       1.607396  -2.316593      2.323820  
1 1 1 23  17 13 o 35.18906 1.172460  12.44702       0.8241760 13.27836       1.176490  11.64587       1.154930  2.316135       2.344920  
1 1 1 23  17 14 o 15.31449 2.001855  2.468611       0.5923357 2.948420       0.8216896 1.949523       0.8546614 3.513865       4.003711  
1 1 1 23  17 15 o 16.49080 2.519517  2.755149       0.8309774 2.755149       0.8309774 ?              ?         ?              ?         
1 1 1 23  17 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  17 17 o 48.23536 1.708484  0.000000       0.000000  ?              ?         23.41955       1.648186  ?              ?         
1 1 1 23  17 18 o 30.51120 1.258112  9.319554       0.7628548 8.871790       1.013683  9.904323       1.158427  -1.660820      2.516224  
1 1 1 23  17 19 o 69.40057 1.325477  48.52810       1.838676  50.62490       2.652547  46.58878       2.550988  2.884140       2.650954  
1 1 1 23  17 20 o 20.94309 1.626095  4.532924       0.6671452 5.209743       0.9075372 3.737129       0.9840754 3.537365       3.252189  
1 1 1 23  17 21 o 54.59007 1.226740  29.99883       1.338360  31.65738       1.925839  28.44963       1.861266  2.923580       2.453480  
1 1 1 23  17 22 o 22.71306 1.565126  5.243395       0.7077799 5.419457       0.9666755 5.039943       1.039154  0.8573914      3.130252  
1 1 1 23  17 23 o 38.58823 1.222705  15.00892       0.9432205 14.78424       1.310882  15.25012       1.358206  -0.5920906     2.445410  
1 1 1 23  17 24 f 32.52475 1.303477  10.65873       0.8459834 9.700068       1.166637  11.72187       1.228567  -3.090864      2.606953  
1 1 1 23  17 25 o 31.45321 1.343996  9.999932       0.8440726 9.911930       1.158711  10.09943       1.232061  -0.2761440     2.687993  
1 1 1 23  17 26 o 31.43269 1.339085  9.994358       0.8416201 10.20893       1.187583  9.777864       1.192896  0.6872845      2.678169  
1 1 1 23  17 27 o 28.17108 1.450851  8.079630       0.8055914 9.861688       1.158970  6.413743       1.120557  6.106689       2.901703  
1 1 1 23  17 28 o 30.45937 1.367417  9.401341       0.8330007 9.341536       1.174413  9.461895       1.181702  -0.1950588     2.734833  
1 1 1 23  17 29 o 9.154402 2.385205  0.1079513      0.6973104 -1.140449      0.9467924 1.587870       1.030853  -6.230422      4.770410  
1 1 1 23  17 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  18 0  o 44.84260 1.109739  20.16864       0.9948776 20.95011       1.426951  19.42947       1.387805  1.690933       2.219478  
1 1 1 23  18 1  o 24.33381 1.276501  5.955736       0.6201609 6.046393       0.8560287 5.855598       0.8996786 0.3980122      2.553002  
1 1 1 23  18 2  o 9.616861 2.243956  0.8976226      0.4998895 0.8901819      0.6809900 0.9063171      0.7361258 -0.1705475     4.487911  
1 1 1 23  18 3  o 38.53387 1.112815  14.91139       0.8571289 15.52730       1.214284  14.29976       1.210053  1.592262       2.225630  
1 1 1 23  18 4  o 11.44702 2.171216  1.340928       0.5283204 0.8114068      0.7273031 1.932495       0.7687330 -4.204515      4.342432  
1 1 1 23  18 5  o 15.59443 1.839316  2.612707       0.5371032 3.183836       0.7202389 1.897185       0.8061597 4.375002       3.678632  
1 1 1 23  18 6  o 42.30226 1.129315  17.94509       0.9531277 17.57900       1.297731  18.37386       1.404436  -0.9246788     2.258631  
1 1 1 23  18 7  o 40.19314 1.142359  16.22064       0.9175395 17.17193       1.314156  15.31584       1.281648  2.304249       2.284719  
1 1 1 23  18 8  o 44.02234 1.142928  19.38457       1.003348  18.35801       1.357028  20.62249       1.490200  -2.551964      2.285856  
1 1 1 23  18 9  o 31.14405 1.224577  9.763240       0.7603828 9.866104       1.038291  9.644258       1.116669  0.3690662      2.449153  
1 1 1 23  18 10 o 42.18690 1.161863  17.89666       0.9797890 18.14134       1.369406  17.64003       1.402447  0.5993805      2.323725  
1 1 1 23  18 11 o 46.25218 1.164841  21.27904       1.070613  19.57725       1.419141  23.52692       1.631025  -4.235455      2.329682  
1 1 1 23  18 12 o 45.95452 1.163983  21.24576       1.069129  22.04046       1.508550  20.44379       1.515427  1.738373       2.327967  
1 1 1 23  18 13 o 27.37587 1.304895  7.535845       0.7096604 7.451248       0.9477990 7.643785       1.070608  -0.3282433     2.609791  
1 1 1 23  18 14 o 38.91991 1.189166  15.23318       0.9213033 17.27373       1.325993  13.32872       1.281010  5.060169       2.378331  
1 1 1 23  18 15 o 24.87156 1.421560  6.259206       0.7042326 6.465919       0.9634584 6.022064       1.031935  0.9077244      2.843121  
1 1 1 23  18 16 o 57.05392 1.229940  32.75654       1.401407  32.22185       1.923901  33.36092       2.045458  -0.9727669     2.459881  
1 1 1 23  18 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  18 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  18 19 o 39.46386 1.247148  15.59656       0.9799306 17.83332       1.445965  13.69671       1.332625  5.215607       2.494296  
1 1 1 23  18 20 f 51.01573 1.220004  26.20849       1.244083  27.43881       1.788823  25.05592       1.731380  2.322151       2.440009  
1 1 1 23  18 21 o 39.77597 1.243618  15.95615       0.9875224 15.91526       1.355587  16.00239       1.441505  -0.8831024E-01 2.487236  
1 1 1 23  18 22 o 49.43259 1.227004  24.65151       1.212855  25.18179       1.714597  24.12043       1.715877  1.073864       2.454009  
1 1 1 23  18 23 o 19.31354 1.898497  3.844725       0.6957945 2.784176       0.9436269 5.108425       1.030047  -6.204891      3.796993  
1 1 1 23  18 24 o 29.06880 1.394583  8.572477       0.8077095 9.427129       1.142735  7.719203       1.141813  2.937449       2.789165  
1 1 1 23  18 25 o 10.51520 2.577702  1.037360       0.6635831 0.8329712      0.9014513 1.279121       0.9804093 -1.503416      5.155404  
1 1 1 23  18 26 o 26.60742 1.482661  7.187905       0.7880480 7.215127       1.089416  7.158027       1.141333  0.1260090      2.965322  
1 1 1 23  18 27 o 13.70931 2.453326  2.033696       0.6743897 1.914917       0.9542912 2.152196       0.9531717 -0.8021278     4.906652  
1 1 1 23  18 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  19 0  o 45.15771 1.138197  20.44208       1.026852  19.68505       1.412477  21.29066       1.495447  -1.766685      2.276394  
1 1 1 23  19 1  o 45.00925 1.133159  20.27692       1.017663  22.32849       1.484135  18.45632       1.398100  4.289852       2.266318  
1 1 1 23  19 2  o 59.42440 1.217222  35.42684       1.444849  34.20838       1.983746  36.80352       2.108615  -2.164932      2.434444  
1 1 1 23  19 3  o 20.09119 1.486375  4.041157       0.5950211 3.612798       0.8072829 4.550673       0.8804427 -2.320387      2.972751  
1 1 1 23  19 4  o 22.75001 1.394861  5.120788       0.6283332 4.276049       0.8321753 6.241011       0.9583092 -4.295940      2.789722  
1 1 1 23  19 5  o 24.66814 1.357063  6.156958       0.6581249 7.642715       0.9484236 4.777130       0.9139895 5.802189       2.714126  
1 1 1 23  19 6  o 43.93526 1.154170  19.42364       1.012914  20.33642       1.423532  18.48756       1.441593  2.106880       2.308340  
1 1 1 23  19 7  o 26.48531 1.358189  7.101794       0.7153745 7.565149       0.9832048 6.580558       1.042809  1.869711       2.716377  
1 1 1 23  19 8  o 24.45116 1.403127  6.056082       0.6816850 6.375646       0.9287789 5.682909       1.003667  1.430994       2.806254  
1 1 1 23  19 9  o 37.77769 1.180032  14.16800       0.8851143 12.86159       1.168966  15.92337       1.355023  -4.021114      2.360064  
1 1 1 23  19 10 o 8.645598 2.294532  0.5430273      0.5595702 0.8768701      0.7270012 0.5775986E-01  0.8765057 1.818293       4.589064  
1 1 1 23  19 11 o 7.209758 2.187109  -0.6389255E-01 0.5753793 0.2151814      0.7694876 -0.4178118     0.8665509 0.9093747      4.374219  
1 1 1 23  19 12 o 30.31314 1.321177  9.289319       0.7981888 9.902898       1.110599  8.633780       1.147946  2.100809       2.642354  
1 1 1 23  19 13 o 61.80871 1.271964  38.32038       1.568972  41.36055       2.309573  35.71496       2.138062  4.531700       2.543929  
1 1 1 23  19 14 f 12.16969 2.334799  1.453187       0.6119574 0.7727271      0.8057894 2.380487       0.9406558 -5.581812      4.669598  
1 1 1 23  19 15 o 23.32548 1.682206  5.661824       0.7266219 8.477974       1.061492  3.178689       0.9967569 11.34166       3.364412  
1 1 1 23  19 16 o 21.15168 1.671538  4.481791       0.7008753 3.734696       0.9404926 5.414902       1.051076  -3.939318      3.343076  
1 1 1 23  19 17 o 48.88121 1.223057  24.09755       1.194544  25.00478       1.676901  23.16289       1.702061  1.889561       2.446114  
1 1 1 23  19 18 o 83.18993 2.094077  70.01302       3.484122  70.01302       3.484122  ?              ?         ?              ?         
1 1 1 23  19 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  19 20 o 30.94445 2.130972  0.000000       0.000000  ?              ?         9.699355       1.318835  ?              ?         
1 1 1 23  19 21 o 47.22730 1.243773  22.52982       1.173765  22.85772       1.633399  22.17971       1.687848  0.7326126      2.487545  
1 1 1 23  19 22 o 23.78253 1.618349  5.755226       0.7578179 5.785958       0.9904348 5.711827       1.176977  0.2224407      3.236697  
1 1 1 23  19 23 o 12.06395 2.612906  1.526439       0.6854744 1.504440       0.9136729 1.554764       1.036767  -0.2603130     5.225812  
1 1 1 23  19 24 o 25.27690 1.592430  6.466429       0.8021306 6.157322       1.080429  6.846039       1.197323  -1.318556      3.184860  
1 1 1 23  19 25 o 15.59822 2.312794  2.568182       0.6931811 2.266469       0.9121574 2.980586       1.066435  -2.159480      4.625589  
1 1 1 23  19 26 f 18.90669 1.965049  3.643254       0.7374437 3.463509       0.9753019 3.883194       1.126840  -1.037033      3.930097  
1 1 1 23  19 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  20 0  o 11.18377 2.204953  1.245826       0.5397747 0.6652315      0.7347634 1.926495       0.7955709 -4.641838      4.409905  
1 1 1 23  20 1  o 17.16543 1.812073  2.966760       0.5901159 2.117543       0.7818679 4.090858       0.8995517 -5.931756      3.624147  
1 1 1 23  20 2  o 25.13095 1.326339  6.305256       0.6636313 5.803292       0.8886173 6.938263       0.9978913 -2.238543      2.652677  
1 1 1 23  20 3  o 24.51365 1.374112  6.056020       0.6719310 6.099254       0.9195485 6.006488       0.9842562 0.2012825      2.748224  
1 1 1 23  20 4  o 16.01891 1.907706  2.666482       0.5912673 2.960667       0.8165197 2.342156       0.8573289 2.187304       3.815413  
1 1 1 23  20 5  o 80.85382 1.440195  65.86521       2.327549  64.71733       3.226707  67.11039       3.360680  -1.452950      2.880391  
1 1 1 23  20 6  o 34.73015 1.243593  12.11557       0.8624740 11.76576       1.181170  12.51509       1.262314  -1.064323      2.487186  
1 1 1 23  20 7  o 79.75450 1.433662  64.12135       2.286352  65.55610       3.272899  62.75383       3.195278  1.740578       2.867324  
1 1 1 23  20 8  o 20.99820 1.617690  4.526969       0.6676429 5.300983       0.9248260 3.684557       0.9648226 3.858295       3.235380  
1 1 1 23  20 9  f 45.56592 1.208620  20.87366       1.100119  20.54797       1.514237  21.23775       1.600992  -0.7411499     2.417240  
1 1 1 23  20 10 o 26.04765 1.440815  6.908765       0.7428660 7.414935       1.006239  6.302404       1.101332  2.157087       2.881630  
1 1 1 23  20 11 o 69.96761 1.346903  49.38250       1.884524  50.17467       2.659549  48.58368       2.670724  1.139481       2.693807  
1 1 1 23  20 12 o 73.28299 1.388900  54.21648       2.034940  54.25352       2.841099  54.17746       2.916043  0.7006073E-01  2.777801  
1 1 1 23  20 13 o 43.98295 1.226345  19.49899       1.077285  20.78840       1.530529  18.23298       1.516588  2.902004       2.452689  
1 1 1 23  20 14 o 38.35085 1.273410  14.83150       0.9728444 16.60825       1.394279  13.14586       1.358056  4.505974       2.546820  
1 1 1 23  20 15 o 27.15662 1.426326  7.247480       0.7639078 6.156258       0.9878712 8.870554       1.204795  -4.941538      2.852652  
1 1 1 23  20 16 o 43.81112 1.231182  19.38271       1.075787  21.06156       1.522686  17.70954       1.520103  3.824936       2.462364  
1 1 1 23  20 17 o 46.73483 1.234920  21.99669       1.152057  21.55158       1.574524  22.50955       1.690121  -0.9966469     2.469840  
1 1 1 23  20 18 o 55.22639 1.270276  30.75855       1.401917  32.54485       2.008814  29.06251       1.957406  3.139671       2.540552  
1 1 1 23  20 19 o 41.85297 1.276719  17.74154       1.064485  18.37574       1.459003  17.01970       1.556544  1.646908       2.553438  
1 1 1 23  20 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  20 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  20 22 o 35.27372 1.391354  12.66794       0.9760575 13.60585       1.347196  11.63165       1.416087  2.820515       2.782709  
1 1 1 23  20 23 o 16.46949 3.159708  2.891518       1.003649  2.891518       1.003649  ?              ?         ?              ?         
1 1 1 23  20 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  20 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  21 0  o 46.53130 1.178240  21.62497       1.091642  20.30901       1.462259  23.28177       1.640738  -3.165108      2.356481  
1 1 1 23  21 1  o 67.52512 1.313874  45.91059       1.773810  45.86677       2.476613  45.95675       2.541749  -0.5450439E-01 2.627748  
1 1 1 23  21 2  o 12.98266 2.093964  1.571104       0.5753051 0.6604687      0.7390434 2.971594       0.9165112 -8.261692      4.187927  
1 1 1 23  21 3  o 58.32858 1.237987  34.17153       1.441467  33.23104       1.968408  35.25912       2.116749  -1.711708      2.475974  
1 1 1 23  21 4  o 31.54115 1.278626  9.963720       0.8044677 9.240191       1.091912  10.82272       1.189753  -2.490358      2.557252  
1 1 1 23  21 5  o 23.60463 1.472474  5.582963       0.6926244 5.141179       0.9330454 6.125215       1.033709  -2.062449      2.944948  
1 1 1 23  21 6  f 46.27487 1.207618  21.40749       1.111047  20.33214       1.478782  22.80130       1.683578  -2.630077      2.415236  
1 1 1 23  21 7  o 48.97572 1.221774  24.15238       1.195907  24.25332       1.662450  24.04412       1.721639  0.2251740      2.443547  
1 1 1 23  21 8  o 44.40376 1.236175  19.87137       1.096930  20.18188       1.528348  19.54150       1.575304  0.7308578      2.472351  
1 1 1 23  21 9  o 13.19322 2.222836  1.907026       0.6218491 2.674854       0.8293521 0.9210155      0.9398271 6.063344       4.445671  
1 1 1 23  21 10 o 59.12225 1.266476  35.23838       1.497161  36.18406       2.119108  34.29590       2.115509  1.596020       2.532952  
1 1 1 23  21 11 o 20.39222 1.657248  4.286693       0.6641171 4.893570       0.9072075 3.585954       0.9748424 3.225637       3.314496  
1 1 1 23  21 12 o 22.81819 1.605257  5.230253       0.7278348 4.909839       0.9653428 5.652335       1.107960  -1.586119      3.210513  
1 1 1 23  21 13 o 19.67528 1.763669  3.907790       0.6876886 3.750438       0.9056386 4.122076       1.056856  -0.8953037     3.527338  
1 1 1 23  21 14 o 22.75244 1.645841  5.195553       0.7426932 4.833174       0.9771261 5.691324       1.142903  -1.833158      3.291682  
1 1 1 23  21 15 o 10.03728 2.549936  0.7760227      0.6674871 0.3194876      0.8761070 1.407665       1.030518  -3.456144      5.099872  
1 1 1 23  21 16 o 36.01119 1.328580  13.13660       0.9522571 14.64080       1.348818  11.64183       1.344582  4.162796       2.657160  
1 1 1 23  21 17 o 54.07357 1.265315  29.53438       1.367388  30.99513       1.942128  28.09848       1.925534  2.673843       2.530630  
1 1 1 23  21 18 o 25.85398 1.590274  6.804529       0.8153023 6.904511       1.089403  6.677232       1.229245  0.4888172      3.180548  
1 1 1 23  21 19 f 37.09924 1.320100  13.95779       0.9758726 15.16262       1.370345  12.71805       1.390051  3.300388       2.640199  
1 1 1 23  21 20 o 26.46320 2.349482  0.000000       0.000000  ?              ?         7.129281       1.243496  ?              ?         
1 1 1 23  21 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  21 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  21 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  21 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  22 0  o 51.90295 1.213321  27.11033       1.259215  27.73300       1.779101  26.48526       1.782502  1.202602       2.426642  
1 1 1 23  22 1  o 9.406384 2.331247  0.6227577      0.5855833 0.8385981E-02  0.7857364 1.390309       0.8782436 -4.351418      4.662495  
1 1 1 23  22 2  o 52.80019 1.237881  27.92840       1.303818  30.70881       1.918950  25.54418       1.776977  4.863300       2.475762  
1 1 1 23  22 3  o 51.86359 1.223256  26.97956       1.264741  25.87979       1.708366  28.31332       1.881348  -2.311817      2.446512  
1 1 1 23  22 4  o 22.55387 1.584917  5.192165       0.7077577 5.573472       0.9597723 4.737653       1.047860  1.876236       3.169835  
1 1 1 23  22 5  f 46.83392 1.231521  21.60692       1.139078  19.07811       1.475348  25.33905       1.792320  -6.616489      2.463042  
1 1 1 23  22 6  o 10.26255 2.511340  0.9661071      0.6260963 0.7877874      0.8297459 1.201874       0.9540854 -1.552649      5.022679  
1 1 1 23  22 7  o 22.86027 1.607551  5.299441       0.7324015 5.372865       0.9990291 5.214127       1.076892  0.3692245      3.215103  
1 1 1 23  22 8  o 42.38514 1.251893  18.12330       1.059341  18.43913       1.462880  17.77509       1.536067  0.7995148      2.503785  
1 1 1 23  22 9  o 48.35882 1.244678  23.46097       1.199347  22.39396       1.614673  24.77420       1.791313  -2.421741      2.489355  
1 1 1 23  22 10 o 17.53210 2.039942  3.147023       0.6961024 2.748803       0.9319840 3.649478       1.046877  -2.768608      4.079885  
1 1 1 23  22 11 o 30.41911 1.418437  9.311631       0.8581900 8.974524       1.146356  9.741441       1.294415  -1.220436      2.836874  
1 1 1 23  22 12 f 31.44040 1.379532  9.992917       0.8622081 10.01472       1.158366  9.965834       1.291097  0.1139145      2.759063  
1 1 1 23  22 13 o 21.29239 1.780617  4.599086       0.7567701 4.365646       1.031302  4.871437       1.113938  -1.158274      3.561234  
1 1 1 23  22 14 o 27.29143 1.531896  7.573011       0.8329051 7.847032       1.142239  7.261877       1.217136  1.096041       3.063792  
1 1 1 23  22 15 o 13.41710 2.624303  1.940930       0.7275159 2.013719       0.9905419 1.855677       1.072006  0.4971342      5.248605  
1 1 1 23  22 16 o 23.34909 1.965951  5.550488       0.9056549 5.781610       1.412471  5.389134       1.180181  0.7397995      3.931903  
1 1 1 23  22 17 o 51.62329 1.874806  0.000000       0.000000  ?              ?         26.94612       1.935673  ?              ?         
1 1 1 23  22 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  22 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  22 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  22 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  22 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  23 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  23 1  o 49.69027 1.261546  24.88302       1.253581  24.67932       1.756680  25.09440       1.789438  -0.4104118     2.523093  
1 1 1 23  23 2  o 28.62128 1.392033  8.198161       0.7933007 7.437081       1.064443  9.149037       1.189786  -2.959959      2.784066  
1 1 1 23  23 3  o 10.19992 2.426807  0.9946701      0.6038552 1.331247       0.8198822 0.5956342      0.8927201 2.199980       4.853613  
1 1 1 23  23 4  o 16.71075 2.120302  2.980993       0.6777568 3.731661       0.9410301 2.171899       0.9769655 4.925950       4.240603  
1 1 1 23  23 5  o 25.42235 1.540182  6.501117       0.7793131 5.669259       1.061724  7.472812       1.147498  -3.523685      3.080364  
1 1 1 23  23 6  o 41.05461 1.285059  16.66780       1.044835  14.42227       1.370404  19.78533       1.614710  -6.474510      2.570118  
1 1 1 23  23 7  o 42.24394 1.283626  17.95521       1.082639  17.25265       1.479077  18.76607       1.588991  -1.764843      2.567251  
1 1 1 23  23 8  o 49.33028 1.287693  24.56460       1.269899  24.92503       1.778532  24.18972       1.813804  0.7540932      2.575387  
1 1 1 23  23 9  f 16.73272 2.706789  3.005173       0.8655128 3.076226       1.413335  2.962538       1.094816  0.1435776      5.413579  
1 1 1 23  23 10 o 56.08691 1.562863  31.57582       1.666532  32.91579       2.862999  30.88911       2.049547  1.554432       3.125725  
1 1 1 23  23 11 o 33.99833 1.454662  11.75771       0.9814702 13.44443       1.389791  10.07963       1.386232  4.947407       2.909324  
1 1 1 23  23 12 o 35.50242 1.774806  12.29323       1.188385  14.54477       2.128782  11.27389       1.432349  4.332581       3.549613  
1 1 1 23  23 13 o 11.33459 2.833777  1.203400       0.8132667 0.8577704      1.208024  1.489896       1.099839  -1.476191      5.667554  
1 1 1 23  23 14 o 12.85233 4.921243  0.000000       0.000000  ?              ?         1.343821       1.773140  ?              ?         
1 1 1 23  23 15 o 21.64777 4.615728  0.000000       0.000000  ?              ?         5.172663       1.939280  ?              ?         
1 1 1 23  23 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  23 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  23 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  23 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  23 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 0  o 54.29656 2.551962  29.96899       2.771255  29.96899       2.771255  ?              ?         ?              ?         
1 1 1 23  24 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 3  o 40.47528 1.922184  0.000000       0.000000  ?              ?         16.54583       1.556019  ?              ?         
1 1 1 23  24 4  o 41.74101 1.610726  16.99018       1.275662  19.82787       2.251825  15.64912       1.548019  4.784065       3.221451  
1 1 1 23  24 5  o 54.75953 1.935457  30.61006       2.101408  30.56205       2.794904  30.67251       3.187286  0.4970551E-01  3.870914  
1 1 1 23  24 6  o 19.38440 4.988716  0.000000       0.000000  ?              ?         4.168775       1.945002  ?              ?         
1 1 1 23  24 7  o 40.61114 3.168056  0.000000       0.000000  ?              ?         16.97092       2.573167  ?              ?         
1 1 1 23  24 8  o 54.40890 2.892285  0.000000       0.000000  ?              ?         30.35799       3.147321  ?              ?         
1 1 1 23  24 9  o 55.32227 2.923013  0.000000       0.000000  ?              ?         31.43220       3.234155  ?              ?         
1 1 1 23  24 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  24 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  25 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  26 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  27 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  27 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  27 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  27 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  27 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  27 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  28 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  28 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 23  28 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  0  0  o 56.19265 1.002870  31.64962       1.125396  32.18478       1.601978  31.12817       1.581322  -0.000000      0.000000  
1 1 1 24  0  1  o 13.01470 1.088974  1.761196       0.2763199 1.640160       0.3812159 1.895183       0.4010919 -0.000000      0.000000  
1 1 1 24  0  2  o 7.582543 1.876567  0.7515900      0.2571662 0.6890118      0.3539361 0.8215737      0.3742932 -0.000000      0.000000  
1 1 1 24  0  3  o 16.32334 0.9599674 2.719324       0.3088682 2.687514       0.4259565 2.754594       0.4485283 -0.000000      0.000000  
1 1 1 24  0  4  o 21.95811 0.8422389 4.844772       0.3665961 4.585256       0.4966124 5.155532       0.5434362 -0.000000      0.000000  
1 1 1 24  0  5  o 91.66757 2.050064  84.27322       3.754307  84.27322       3.754307  84.27322       3.754307  -0.000000      0.000000  
1 1 1 24  0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  0  7  o 67.18954 1.610747  45.26466       2.161745  45.26466       2.161745  45.26466       2.161745  -0.000000      0.000000  
1 1 1 24  0  8  o 80.42450 1.295285  64.85698       2.080881  64.39130       2.920505  65.33717       2.965634  -0.000000      0.000000  
1 1 1 24  0  9  f 13.42236 1.211555  1.920616       0.2987869 2.348230       0.4173575 1.471046       0.4279380 -0.000000      0.000000  
1 1 1 24  0  10 f 8.750717 1.838982  0.9440808      0.2794475 0.9323857      0.3868465 0.9568436      0.4041158 -0.000000      0.000000  
1 1 1 24  0  11 o 12.27673 1.337990  1.608285       0.3057211 1.411062       0.4248613 1.820063       0.4402595 -0.000000      0.000000  
1 1 1 24  0  12 o 66.33163 1.119894  44.08642       1.482810  45.17503       2.145210  43.09044       2.051921  -0.000000      0.000000  
1 1 1 24  0  13 f 60.89964 1.058348  37.19604       1.287328  37.08525       1.820332  37.30688       1.820783  -0.000000      0.000000  
1 1 1 24  0  14 o 85.74613 1.370059  73.76373       2.346648  73.04243       3.290761  74.51000       3.347285  -0.000000      0.000000  
1 1 1 24  0  15 o 24.72046 0.8782778 6.142381       0.4308129 6.773394       0.6276996 5.580424       0.5923581 -0.000000      0.000000  
1 1 1 24  0  16 o 36.78446 0.8538897 13.57828       0.6265200 13.16796       0.8744851 14.01101       0.8980508 -0.000000      0.000000  
1 1 1 24  0  17 o 10.14258 1.833461  1.212319       0.3208716 1.189342       0.4463917 1.236883       0.4615497 -0.000000      0.000000  
1 1 1 24  0  18 o 40.87906 0.8691938 16.58500       0.7041949 18.35109       1.077107  15.26657       0.9306358 -0.000000      0.000000  
1 1 1 24  0  19 f 78.82779 1.281919  62.34027       2.017231  63.54754       2.918090  61.23531       2.791696  -0.000000      0.000000  
1 1 1 24  0  20 o 17.48182 1.039051  3.197365       0.3473670 2.421170       0.4992263 3.925869       0.4836464 -0.000000      0.000000  
1 1 1 24  0  21 f 64.84808 1.112868  42.12256       1.438724  43.56450       2.113454  40.87725       1.964075  -0.000000      0.000000  
1 1 1 24  0  22 o 92.72346 1.471379  86.41914       2.725370  86.72904       3.880844  86.11759       3.828206  -0.000000      0.000000  
1 1 1 24  0  23 o 31.56228 0.8570706 9.996650       0.5371684 10.26202       0.8001647 9.778937       0.7247616 -0.000000      0.000000  
1 1 1 24  0  24 f 56.49007 1.029029  32.03136       1.160228  32.26291       1.671837  31.81623       1.611450  -0.000000      0.000000  
1 1 1 24  0  25 o 5.361520 2.007184  0.3563802      0.3009105 0.6538047      0.4628840 0.1386942      0.3960036 -0.000000      0.000000  
1 1 1 24  0  26 o 5.605475 3.017042  0.4569454      0.4620457 0.4569454      0.4620457 0.4569454      0.4620457 -0.000000      0.000000  
1 1 1 24  0  27 o 52.23993 1.906897  27.50449       1.986530  27.50449       1.986530  27.50449       1.986530  -0.000000      0.000000  
1 1 1 24  0  28 o 5.628935 2.097539  0.4677320      0.3136734 0.3880895      0.4820395 0.5262230      0.4130997 -0.000000      0.000000  
1 1 1 24  0  29 o 52.14972 0.9981620 27.26406       1.037229  28.19272       1.526132  26.46685       1.414003  -0.000000      0.000000  
1 1 1 24  0  30 o 13.38348 1.349438  1.840385       0.3471586 2.000777       0.5361509 1.724592       0.4555505 -0.000000      0.000000  
1 1 1 24  0  31 o 12.43987 1.790386  1.908509       0.3570402 1.149964       0.5424120 2.488463       0.4742807 -0.000000      0.000000  
1 1 1 24  0  32 o 52.62486 1.013188  27.81967       1.063350  28.14421       1.545951  27.52825       1.464927  -0.000000      0.000000  
1 1 1 24  0  33 o 10.38312 1.940855  1.321525       0.3452171 1.133129       0.5335422 1.457193       0.4527640 -0.000000      0.000000  
1 1 1 24  0  34 o 42.36604 0.9521118 18.06973       0.8042130 17.46147       1.148049  18.65579       1.126904  -0.000000      0.000000  
1 1 1 24  0  35 o 4.767172 1.937297  -0.2144866     0.3419974 0.7613042      0.5702489 -0.7626080     0.4273901 -0.000000      0.000000  
1 1 1 24  0  36 o 7.873284 2.322995  0.8392387      0.3672074 1.167630       0.5871267 0.6282538      0.4706102 -0.000000      0.000000  
1 1 1 24  0  37 o 34.32283 0.9506719 11.91015       0.6481965 11.15612       0.9345339 12.60921       0.8998274 -0.000000      0.000000  
1 1 1 24  1  0  o 28.59481 0.5604113 8.136889       0.3196513 7.470726       0.4347887 8.920486       0.4715570 -2.534180      1.120823  
1 1 1 24  1  1  o 72.37926 0.8404673 52.22018       1.213226  55.17569       1.799775  49.75861       1.642511  3.736526       1.680935  
1 1 1 24  1  2  o 27.72440 0.6876828 7.543893       0.3565582 8.102251       0.6381527 7.290467       0.4299269 1.457760       1.375366  
1 1 1 24  1  3  o 51.75469 0.9561101 26.81073       0.9894950 26.51132       1.384009  27.12381       1.415227  -0.5903778     1.912220  
1 1 1 24  1  4  o 49.53805 0.9353492 24.29346       0.9202471 22.34788       1.216769  26.89357       1.406632  -4.579906      1.870698  
1 1 1 24  1  5  o 55.62821 0.8652437 30.90427       0.9036404 30.76875       1.100904  31.18412       1.582026  -0.3538971     1.730487  
1 1 1 24  1  6  o 61.66100 0.7502218 37.88115       0.9225407 35.91083       1.248283  40.25257       1.369459  -3.516163      1.500444  
1 1 1 24  1  7  o 61.24831 0.9063914 37.60635       1.051777  37.70830       1.295434  37.40914       1.801662  0.2675972      1.812783  
1 1 1 24  1  8  f 33.10376 0.7995982 10.87586       0.5270777 9.721869       0.7100949 12.29175       0.7865565 -3.878286      1.599196  
1 1 1 24  1  9  o 33.40165 0.7978862 11.12828       0.5320401 10.33088       0.7289891 12.03711       0.7782623 -2.551956      1.595772  
1 1 1 24  1  10 o 54.69702 0.6939764 29.87283       0.7581170 28.68997       1.039192  31.21857       1.108434  -2.308720      1.387953  
1 1 1 24  1  11 o 40.06371 0.6038498 15.88484       0.4810500 14.39494       0.6400708 17.81873       0.7292311 -4.269619      1.207700  
1 1 1 24  1  12 o 52.30044 0.6782511 27.35851       0.7091142 26.79554       0.9843947 27.96573       1.022360  -1.116974      1.356502  
1 1 1 24  1  13 o 69.07999 0.8157651 47.72839       1.126172  46.46147       1.555449  49.12419       1.632648  -1.922852      1.631530  
1 1 1 24  1  14 o 80.76535 0.9208289 65.34085       1.487409  65.49767       2.108719  65.18556       2.098347  0.1925430      1.841658  
1 1 1 24  1  15 o 88.35314 0.9923244 78.12890       1.751713  80.41991       2.547676  76.07464       2.412445  2.448578       1.984649  
1 1 1 24  1  16 o 26.22861 0.5904465 6.886106       0.3096612 6.942326       0.4343863 6.828013       0.4415559 0.2182693      1.180893  
1 1 1 24  1  17 f 15.58720 0.7829121 2.474102       0.2353862 3.297238       0.3381284 1.700103       0.3278808 5.122545       1.565824  
1 1 1 24  1  18 o 54.77061 0.7033083 30.01687       0.7701064 30.82991       1.108295  29.25783       1.070859  1.432606       1.406617  
1 1 1 24  1  19 o 29.32875 0.5854303 8.582806       0.3427562 7.913970       0.4709328 9.336202       0.4998167 -2.422884      1.170861  
1 1 1 24  1  20 o 42.87907 0.6284052 18.35057       0.5380247 19.46756       0.7886531 17.37815       0.7358516 2.432869       1.256810  
1 1 1 24  1  21 o 26.25680 0.6015471 6.889641       0.3155614 7.335209       0.4566398 6.482364       0.4365782 1.622673       1.203094  
1 1 1 24  1  22 o 16.78153 0.7242404 2.812316       0.2404579 3.418168       0.3518617 2.281447       0.3293692 3.384871       1.448481  
1 1 1 24  1  23 o 55.34083 0.7120706 30.68047       0.7880847 30.89161       1.121928  30.47481       1.107257  0.3752213      1.424141  
1 1 1 24  1  24 o 26.21397 0.6155710 6.880080       0.3226907 6.985593       0.4608121 6.778556       0.4520219 0.3941669      1.231142  
1 1 1 24  1  25 o 51.70869 0.9889952 26.79950       1.021094  27.52322       1.495252  26.16708       1.397763  1.297913       1.977990  
1 1 1 24  1  26 o 55.39314 0.8789335 31.00264       0.9247059 31.50428       1.146126  30.06717       1.565145  1.350147       1.757867  
1 1 1 24  1  27 o 20.37311 0.7733665 4.143418       0.3042226 4.093739       0.3821112 4.229428       0.5027785 -0.3189583     1.546733  
1 1 1 24  1  28 o 41.30094 0.9013249 17.11930       0.7439749 18.03089       1.061769  16.24005       1.042768  2.165154       1.802650  
1 1 1 24  1  29 o 20.08676 0.7130695 4.062179       0.2845578 4.606151       0.4027811 3.520123       0.4020709 2.703253       1.426139  
1 1 1 24  1  30 o 47.47969 0.6795076 22.58768       0.6451387 23.05424       0.9229251 22.14188       0.9021574 0.9582710      1.359015  
1 1 1 24  1  31 o 5.428260 1.410394  0.1932618      0.2130549 0.1846323E-02  0.2957694 0.3997098      0.3071637 -1.945613      2.820788  
1 1 1 24  1  32 o 12.80056 0.9616775 1.647313       0.2461524 1.658836       0.3454614 1.635429       0.3508247 0.9246349E-01  1.923355  
1 1 1 24  1  33 f 30.64096 0.8029165 9.600356       0.4650691 9.993656       0.5775812 8.875218       0.7842630 1.860991       1.605833  
1 1 1 24  1  34 f 17.87649 0.8008808 3.207622       0.2849531 3.644430       0.4101731 2.800148       0.3961612 2.358965       1.601762  
1 1 1 24  1  35 o 18.04328 0.8195334 3.251701       0.2921028 4.019351       0.4306513 2.597604       0.3975258 3.933542       1.639067  
1 1 1 24  1  36 f 6.419235 1.602267  0.1659685      0.2737098 -0.1289839     0.3356163 0.7517648      0.4729773 -4.211512      3.204534  
1 1 1 24  1  37 f 5.807546 1.735934  -0.6191469E-01 0.3391829 0.2963275      0.5746763 -0.2534225     0.4201731 2.435883       3.471868  
1 1 1 24  2  0  o 40.67258 0.8708867 16.54678       0.7080306 16.26292       0.9819726 16.85415       1.021829  -0.7253838     1.741773  
1 1 1 24  2  1  o 43.13514 0.8918091 18.44727       0.7651165 16.98604       1.018679  20.33849       1.158911  -3.880569      1.783618  
1 1 1 24  2  2  f 23.92234 0.7324663 5.357389       0.3200758 4.881489       0.3748024 6.639463       0.6151791 -3.666502      1.464933  
1 1 1 24  2  3  o 63.75270 0.7647215 40.66962       0.9749884 41.06668       1.389279  40.28425       1.368636  0.6129265      1.529443  
1 1 1 24  2  4  o 38.62433 0.5861905 14.91912       0.4527264 15.22046       0.6485048 14.63266       0.6323061 0.7604752      1.172381  
1 1 1 24  2  5  o 34.31497 0.5756387 11.77093       0.3948886 11.45252       0.5487021 12.11303       0.5687507 -0.9618683     1.151277  
1 1 1 24  2  6  o 55.46883 0.6970743 30.78866       0.7733084 30.71084       1.090413  30.86740       1.096862  -0.1408958     1.394149  
1 1 1 24  2  7  o 38.95670 0.5915335 15.03311       0.4584900 13.66660       0.6119775 16.78145       0.6922166 -3.995365      1.183067  
1 1 1 24  2  8  o 46.74210 0.6352846 21.86051       0.5938676 21.73857       0.8354036 21.98510       0.8443795 -0.2634048     1.270569  
1 1 1 24  2  9  o 22.36689 0.7028256 4.503901       0.2955314 3.619710       0.3519432 6.618176       0.5442268 -6.695402      1.405651  
1 1 1 24  2  10 o 96.78737 1.505878  93.96198       2.913442  92.18988       4.041406  95.87941       4.203852  -1.891853      3.011756  
1 1 1 24  2  11 o 19.39570 0.8571169 3.756490       0.3314674 4.195109       0.4815674 3.361596       0.4569336 2.147385       1.714234  
1 1 1 24  2  12 o 32.44006 0.5804185 10.52791       0.3765223 10.77274       0.5369014 10.29097       0.5281719 0.7421989      1.160837  
1 1 1 24  2  13 o 54.20631 0.6919227 29.40443       0.7500054 29.06311       1.049067  29.76127       1.072663  -0.6428375     1.383845  
1 1 1 24  2  14 o 53.14687 0.6843132 28.12706       0.7252153 30.17888       1.077688  26.42891       0.9804175 3.523151       1.368626  
1 1 1 24  2  15 o 69.03281 0.8167288 47.72630       1.127619  47.78369       1.596863  47.66924       1.592533  0.8261871E-01  1.633458  
1 1 1 24  2  16 o 105.5029 1.156495  111.6615       2.440260  111.8591       3.457226  111.4653       3.444905  0.1854477      2.312990  
1 1 1 24  2  17 o 60.41539 0.7461082 36.50713       0.9007728 35.51941       1.243271  37.59850       1.306878  -1.716415      1.492216  
1 1 1 24  2  18 o 16.19247 0.7534831 2.660186       0.2395497 3.229023       0.3378718 2.085230       0.3396844 3.531999       1.506966  
1 1 1 24  2  19 o 41.38035 0.6221095 17.05983       0.5135952 18.45317       0.7586294 15.88083       0.6978391 3.104221       1.244219  
1 1 1 24  2  20 o 40.76788 0.6214465 16.58306       0.5058362 17.81331       0.7403690 15.50606       0.6927263 2.826565       1.242893  
1 1 1 24  2  21 o 57.43882 0.7262130 32.98978       0.8332853 34.23473       1.214772  31.88336       1.145191  2.041054       1.452426  
1 1 1 24  2  22 o 10.26867 1.022841  1.058149       0.2100469 1.077469       0.2986284 1.039232       0.2954986 0.1857910      2.045681  
1 1 1 24  2  23 f 28.07431 0.7922806 8.141648       0.4099216 7.257615       0.7182228 8.568748       0.4992177 -2.356993      1.584561  
1 1 1 24  2  24 o 34.54478 0.7852990 11.67803       0.5271474 10.84639       0.6609316 13.13198       0.8739036 -3.285465      1.570598  
1 1 1 24  2  25 o 68.72409 0.8238059 47.27417       1.130936  48.98771       1.649537  45.75425       1.553546  2.341408       1.647612  
1 1 1 24  2  26 o 43.10864 0.6472864 18.61505       0.5580570 18.52681       0.7856469 18.70490       0.7928257 -0.2058945     1.294573  
1 1 1 24  2  27 o 71.01058 0.8471360 50.54755       1.202520  51.63519       1.733972  49.53973       1.669122  1.467026       1.694272  
1 1 1 24  2  28 f 23.86829 0.6507888 5.703023       0.3105012 5.534348       0.4307121 5.885535       0.4480298 -0.7337570     1.301578  
1 1 1 24  2  29 o 27.00538 0.8629404 7.338977       0.4633628 7.512327       0.6267753 7.130045       0.6880971 0.7170925      1.725881  
1 1 1 24  2  30 o 7.292357 1.445067  0.5441719      0.2311463 0.2998273      0.3300887 0.7792698      0.3237829 -2.651983      2.890134  
1 1 1 24  2  31 o 31.51607 0.6370189 9.944487       0.4013054 10.39162       0.5775160 9.526993       0.5580478 1.369331       1.274038  
1 1 1 24  2  32 o 26.85361 0.7620487 7.015357       0.3956654 8.078284       0.6670988 6.438513       0.4914373 3.026297       1.524097  
1 1 1 24  2  33 o 33.56203 0.6439266 11.28649       0.4320349 11.07098       0.6001550 11.51829       0.6224332 -0.6631966     1.287853  
1 1 1 24  2  34 o 35.56718 0.6464785 12.65719       0.4593682 12.10780       0.6320571 13.27229       0.6687872 -1.631763      1.292957  
1 1 1 24  2  35 f 35.96030 0.6554887 12.93466       0.4708152 12.23711       0.6467637 13.72100       0.6866957 -2.057079      1.310977  
1 1 1 24  2  36 f 13.29302 1.548823  1.769323       0.3975086 2.227391       0.6248271 1.457869       0.5152194 3.028925       3.097645  
1 1 1 24  2  37 o 37.71056 1.071781  14.36460       0.8065461 14.95025       1.119599  13.73279       1.162889  1.625687       2.143561  
1 1 1 24  3  0  o 112.1943 1.503553  125.4500       3.145454  124.1136       3.802771  128.3449       5.597049  -1.772148      3.007107  
1 1 1 24  3  1  o 103.7716 1.136344  107.4633       2.351397  103.0425       3.181364  112.7861       3.490904  -4.679184      2.272689  
1 1 1 24  3  2  o 65.67300 0.7815296 42.93515       1.022665  40.67956       1.375831  45.72005       1.528761  -3.832180      1.563059  
1 1 1 24  3  3  o 40.00271 0.5926656 15.84424       0.4715319 14.43820       0.6279635 17.66186       0.7139809 -4.026974      1.185331  
1 1 1 24  3  4  o 89.30264 0.9958826 79.43076       1.771502  84.40907       2.653433  75.42741       2.379464  5.015915       1.991765  
1 1 1 24  3  5  o 36.58475 0.5750195 13.38617       0.4206546 13.75945       0.6005670 13.02667       0.5893816 1.001167       1.150039  
1 1 1 24  3  6  o 57.25862 0.7122878 32.44314       0.8100206 35.91607       1.238016  29.84352       1.071110  5.296673       1.424576  
1 1 1 24  3  7  o 55.63988 0.6990389 30.95200       0.7773517 30.25210       1.075412  31.71786       1.124943  -1.315357      1.398078  
1 1 1 24  3  8  o 85.01299 0.9584578 71.97028       1.622979  76.70680       2.432068  68.16757       2.179176  5.009140       1.916916  
1 1 1 24  3  9  o 57.36320 0.7137474 32.90588       0.8183897 32.20174       1.134357  33.67023       1.181860  -1.278091      1.427495  
1 1 1 24  3  10 o 68.11751 0.8041795 46.41994       1.095085  47.42877       1.577675  45.48201       1.521235  1.426277       1.608359  
1 1 1 24  3  11 o 80.91907 1.124066  64.96615       1.697999  63.81219       2.051453  67.47665       3.025862  -2.194084      2.248132  
1 1 1 24  3  12 o 60.65345 1.024828  36.80640       1.242017  38.20163       1.805070  35.55191       1.711609  2.177612       2.049656  
1 1 1 24  3  13 o 9.708607 1.208049  0.9331546      0.2263819 0.7343121      0.2948929 1.218497       0.3532584 -2.631888      2.416098  
1 1 1 24  3  14 o 112.6724 1.226298  127.3401       2.763218  128.0955       3.934502  126.6050       3.881597  0.6566391      2.452595  
1 1 1 24  3  15 o 27.09990 0.5907433 7.219038       0.3172991 6.206499       0.4183786 8.589919       0.4868141 -4.394201      1.181487  
1 1 1 24  3  16 o 103.2281 1.135337  106.8811       2.343793  106.1297       3.290128  107.6554       3.339676  -0.7342224     2.270675  
1 1 1 24  3  17 o 22.57036 0.6169050 5.100043       0.2778034 5.577748       0.3970944 4.642124       0.3887840 2.072216       1.233810  
1 1 1 24  3  18 o 74.15761 0.8637201 55.03094       1.279708  53.46290       1.761875  56.78192       1.861818  -2.229156      1.727440  
1 1 1 24  3  19 o 19.44476 0.6596463 3.775043       0.2561660 3.559992       0.3514879 4.018676       0.3741171 -1.177893      1.319293  
1 1 1 24  3  20 o 44.38920 0.6398644 19.72714       0.5680365 19.95583       0.8075504 19.50317       0.7991650 0.5092850      1.279729  
1 1 1 24  3  21 o 49.09076 0.7391984 24.07641       0.7139073 24.50417       1.119549  23.78327       0.9267837 0.7177467      1.478397  
1 1 1 24  3  22 o 29.23702 0.8914527 8.599117       0.5194249 7.862020       0.7407587 9.312116       0.7285487 -2.481239      1.782905  
1 1 1 24  3  23 o 47.19100 0.7087624 22.17631       0.6593101 21.54623       0.8568752 23.09067       1.032229  -1.619999      1.417525  
1 1 1 24  3  24 o 23.92848 0.6242570 5.732455       0.2986769 5.557050       0.4186102 5.914347       0.4262801 -0.7459450     1.248514  
1 1 1 24  3  25 o 48.45316 0.6702330 23.49364       0.6490994 22.78507       0.8989322 24.26556       0.9382607 -1.524006      1.340466  
1 1 1 24  3  26 o 64.01004 0.7870997 41.04587       1.007105  42.02450       1.453566  40.14236       1.396660  1.463631       1.574199  
1 1 1 24  3  27 o 52.60532 0.7017714 27.73304       0.7383314 27.60731       1.041518  27.86005       1.046819  -0.2396355     1.403543  
1 1 1 24  3  28 o 24.41287 0.6433076 5.962637       0.3136890 5.549209       0.4350908 6.410164       0.4526781 -1.761368      1.286615  
1 1 1 24  3  29 o 35.95345 0.6265567 12.95088       0.4505212 12.82260       0.6340501 13.08169       0.6402618 -0.3596306     1.253113  
1 1 1 24  3  30 o 17.49873 0.9757907 3.009637       0.3353522 2.746149       0.4283526 3.426845       0.5390108 -1.925404      1.951581  
1 1 1 24  3  31 o 7.583760 1.536501  0.5679029      0.2512036 0.8203478      0.3797128 0.3714256      0.3349871 2.484246       3.073002  
1 1 1 24  3  32 o 49.87794 0.7029623 24.94302       0.7011533 24.62120       0.9818451 25.27792       1.001611  -0.6555214     1.405925  
1 1 1 24  3  33 o 4.840088 1.415804  0.4824459E-01  0.2286768 0.1710282      0.3108307 -0.9661893E-01 0.3376240 0.8169689      2.831608  
1 1 1 24  3  34 o 31.45730 0.6561792 9.897395       0.4123038 9.387877       0.5663456 10.47194       0.6014036 -1.717945      1.312358  
1 1 1 24  3  35 o 21.73578 1.110054  4.766250       0.4787132 4.743577       0.7230520 4.783944       0.6387618 -0.1151466     2.220108  
1 1 1 24  3  36 o 26.49343 0.6864354 7.044532       0.3635719 7.132850       0.5089455 6.952494       0.5195554 0.3421974      1.372871  
1 1 1 24  3  37 o 25.09642 0.9895766 6.326090       0.4940682 6.193430       0.6623540 6.492488       0.7418143 -0.5761147     1.979153  
1 1 1 24  4  0  o 93.85840 1.039666  87.76548       1.943918  83.49157       2.612811  93.06420       2.909250  -5.085899      2.079332  
1 1 1 24  4  1  o 114.7102 1.243666  131.5992       2.849093  127.5794       3.904569  136.1767       4.166637  -3.732727      2.487333  
1 1 1 24  4  2  f 156.2729 1.659573  244.7696       5.181417  238.7437       7.133324  251.4999       7.538732  -4.050690      3.319146  
1 1 1 24  4  3  o 101.9290 1.117590  104.0057       2.277291  106.0286       3.280066  102.1232       3.164211  1.909683       2.235180  
1 1 1 24  4  4  o 44.72646 0.6175677 19.96607       0.5516512 19.11377       0.7559542 20.93696       0.8068340 -2.036644      1.235135  
1 1 1 24  4  5  o 134.6030 1.440822  181.3282       3.872004  187.9603       5.680998  175.5746       5.291416  4.572586       2.881643  
1 1 1 24  4  6  o 47.88253 0.6421173 22.94014       0.6148945 22.82478       0.8645715 23.05821       0.8747013 -0.2434196     1.284235  
1 1 1 24  4  7  o 113.9973 1.620255  127.6790       3.518075  139.5159       6.087184  121.7422       4.310978  7.641586       3.240510  
1 1 1 24  4  8  o 92.52750 1.472469  85.85065       2.723561  84.32995       3.781608  87.48955       3.925833  -1.695694      2.944938  
1 1 1 24  4  9  o 69.85498 0.8191894 48.78136       1.143408  50.38916       1.661687  47.33549       1.575777  2.181679       1.638379  
1 1 1 24  4  10 o 44.17532 0.6183207 19.17943       0.5404471 17.24448       0.7041784 21.95280       0.8430449 -5.323822      1.236641  
1 1 1 24  4  11 f 90.63403 1.009673  82.29997       1.830129  82.90285       2.603606  81.71117       2.573052  0.6553192      2.019346  
1 1 1 24  4  12 o 22.63873 0.5720810 5.103845       0.2581939 4.836564       0.3485376 5.428906       0.3843690 -1.306808      1.144162  
1 1 1 24  4  13 o 77.85406 1.079256  61.00380       1.601012  61.58920       1.987968  59.92334       2.700772  1.123505       2.158512  
1 1 1 24  4  14 o 12.16621 0.9483972 1.415401       0.2194427 0.8993223      0.2817173 2.211691       0.3499380 -5.388680      1.896794  
1 1 1 24  4  15 o 37.37443 0.6838371 14.11536       0.5003736 13.29862       0.7802359 14.68593       0.6521385 -1.863144      1.367674  
1 1 1 24  4  16 o 54.65411 0.6983716 29.89186       0.7631721 30.55546       1.094869  29.26473       1.064354  1.178963       1.396743  
1 1 1 24  4  17 o 44.90534 0.6366909 20.17394       0.5716025 19.72795       0.7951642 20.65085       0.8222522 -1.025974      1.273382  
1 1 1 24  4  18 o 52.58086 0.6895322 27.65497       0.7245727 26.93563       1.001197  28.44605       1.049941  -1.432823      1.379064  
1 1 1 24  4  19 o 13.46831 0.8346525 1.859734       0.2168529 2.426959       0.3071631 1.296090       0.3061917 4.198173       1.669305  
1 1 1 24  4  20 o 48.88102 0.9885989 23.96309       0.9663827 23.52590       1.357496  24.41230       1.376036  -0.9046478     1.977198  
1 1 1 24  4  21 o 64.88182 0.9881282 41.66694       1.179399  40.81634       1.406851  43.67830       2.163363  -2.118256      1.976256  
1 1 1 24  4  22 o 51.21481 0.6865826 26.27273       0.7032031 26.19558       0.9873624 26.35214       1.001752  -0.1515923     1.373165  
1 1 1 24  4  23 o 47.52421 0.6660709 22.61200       0.6327618 22.28919       0.8783991 22.96018       0.9122830 -0.7029228     1.332142  
1 1 1 24  4  24 o 25.00019 0.6114508 6.257520       0.3056735 6.424249       0.4358836 6.096183       0.4287792 0.6555328      1.222902  
1 1 1 24  4  25 o 27.72848 0.6095585 7.666867       0.3372778 7.056723       0.4606277 8.372074       0.4952137 -2.368795      1.219117  
1 1 1 24  4  26 o 9.455309 1.165084  0.9036211      0.2143646 0.7747548      0.2880873 1.063485       0.3208703 -1.662332      2.330167  
1 1 1 24  4  27 o 17.59161 0.7318129 3.118289       0.2559613 3.456601       0.3585952 2.766879       0.3654705 1.961182       1.463626  
1 1 1 24  4  28 f 17.75297 0.7391580 3.130385       0.2588515 2.468581       0.3492715 3.936831       0.3855547 -4.130576      1.478316  
1 1 1 24  4  29 o 6.172980 1.421542  0.2999514      0.2275882 0.6344988      0.3277593 -0.1154301E-01 0.3162651 3.227061       2.843083  
1 1 1 24  4  30 o 39.95189 0.6439453 15.97997       0.5142509 15.51472       0.7129122 16.48467       0.7425118 -1.210388      1.287891  
1 1 1 24  4  31 o 26.96496 0.7883390 7.264503       0.4030504 7.197065       0.4954166 7.396512       0.6931419 -0.3393173     1.576678  
1 1 1 24  4  32 o 46.30420 0.8458349 21.18282       0.7630535 23.03351       1.248730  20.07997       0.9639609 3.139351       1.691670  
1 1 1 24  4  33 f 16.98998 0.8194750 2.889477       0.2779510 2.670116       0.3817954 3.136840       0.4054327 -1.369219      1.638950  
1 1 1 24  4  34 f 33.51562 0.9838637 11.27282       0.6572669 11.64873       0.9766956 10.96168       0.8885729 1.005371       1.967727  
1 1 1 24  4  35 o 24.24761 0.7076705 5.903642       0.3416133 6.658615       0.4894706 5.186651       0.4769990 3.033127       1.415341  
1 1 1 24  4  36 o 41.01954 0.6728844 16.87627       0.5519816 17.15086       0.7862847 16.60945       0.7750756 0.6580772      1.345769  
1 1 1 24  4  37 o 17.18852 1.907338  0.000000       0.000000  ?              ?         2.993289       0.6556865 ?              ?         
1 1 1 24  5  0  o 76.20050 0.8728654 58.00981       1.328399  60.15590       1.941892  56.12222       1.821192  2.642014       1.745731  
1 1 1 24  5  1  o 40.39759 0.5893674 16.01725       0.4713010 14.17335       0.6153941 18.63292       0.7329531 -5.516422      1.178735  
1 1 1 24  5  2  o 19.59640 0.5565484 3.841067       0.2180411 3.993034       0.3105986 3.693410       0.3061626 0.7643738      1.113097  
1 1 1 24  5  3  f 99.64687 1.094234  99.30151       2.178007  96.53266       2.991399  102.4252       3.177336  -2.946922      2.188468  
1 1 1 24  5  4  o 48.85547 0.6448417 23.88285       0.6300718 24.03037       0.8910244 23.73532       0.8910878 0.3019638      1.289683  
1 1 1 24  5  5  o 52.27062 0.6679423 27.33992       0.6982617 27.31252       0.9842040 27.36769       0.9908113 -0.5254364E-01 1.335885  
1 1 1 24  5  6  f 28.30520 0.5385649 7.976410       0.3041408 7.396737       0.4136143 8.658825       0.4487739 -2.228416      1.077130  
1 1 1 24  5  7  o 14.68445 0.6041312 2.152386       0.1766043 2.106498       0.2374364 2.209209       0.2642171 -0.3488426     1.208262  
1 1 1 24  5  8  o 38.45605 0.5779021 14.79133       0.4442569 14.63880       0.6173068 14.95520       0.6398477 -0.4106369     1.155804  
1 1 1 24  5  9  o 60.93177 0.7412266 37.08107       0.9017869 35.84652       1.233161  38.50017       1.322119  -2.173592      1.482453  
1 1 1 24  5  10 o 66.63690 0.7888736 44.44937       1.051217  44.07381       1.472165  44.84007       1.501560  -0.5734329     1.577747  
1 1 1 24  5  11 o 44.03115 0.6176134 19.39645       0.5437925 19.88705       0.7760106 18.92309       0.7622514 1.094040       1.235227  
1 1 1 24  5  12 o 99.98447 1.192520  100.1494       2.356425  100.9060       3.628225  99.59751       3.098982  0.6102600      2.385041  
1 1 1 24  5  13 o 46.90149 0.8701358 21.99044       0.7889354 21.87043       0.9941347 22.19460       1.296626  -0.3263550     1.740272  
1 1 1 24  5  14 o 31.81313 0.5633569 10.12437       0.3580403 10.05258       0.4939544 10.20385       0.5197185 -0.2365818     1.126714  
1 1 1 24  5  15 o 14.50549 0.7935204 2.215344       0.2166285 2.518291       0.2763673 1.732622       0.3488610 2.712856       1.587041  
1 1 1 24  5  16 o 36.35320 0.7616581 13.21125       0.5531552 14.10624       0.8000978 12.39177       0.7656013 2.355698       1.523316  
1 1 1 24  5  17 o 86.69708 1.186275  75.46216       1.951577  75.45133       3.335485  75.46779       2.406489  -0.1170349     2.372550  
1 1 1 24  5  18 o 11.78560 1.681602  1.443166       0.3884850 1.827051       0.5522436 1.067085       0.5466015 3.379107       3.363204  
1 1 1 24  5  19 o 27.94333 0.8287519 7.484858       0.4314514 6.947670       0.5147116 8.754224       0.7912147 -3.207989      1.657504  
1 1 1 24  5  20 o 14.70925 0.7427031 2.143849       0.2172416 1.942220       0.2891629 2.405115       0.3291607 -1.570081      1.485406  
1 1 1 24  5  21 o 29.34304 0.5989611 8.574760       0.3505282 7.985534       0.4748472 9.280330       0.5196157 -2.203045      1.197922  
1 1 1 24  5  22 o 97.52509 1.087403  95.50311       2.120608  94.46177       2.965700  96.59255       3.033431  -1.082863      2.174805  
1 1 1 24  5  23 f 39.69006 0.6284891 15.76989       0.4986070 15.58383       0.6917811 15.97104       0.7192973 -0.4854507     1.256978  
1 1 1 24  5  24 o 65.22874 0.7969655 42.65406       1.039667  42.63196       1.464226  42.67653       1.476474  -0.3280640E-01 1.593931  
1 1 1 24  5  25 o 32.65145 0.6066946 10.66044       0.3958741 11.18929       0.5729842 10.17745       0.5475802 1.547197       1.213389  
1 1 1 24  5  26 o 35.66734 0.6156676 12.72604       0.4388527 13.42377       0.6324936 12.07831       0.6094126 1.883976       1.231335  
1 1 1 24  5  27 o 32.91288 0.8030840 10.76180       0.5247651 10.06170       0.6933351 11.70071       0.8029277 -2.475176      1.606168  
1 1 1 24  5  28 o 18.48958 0.7227032 3.450168       0.2652277 3.876755       0.3713214 3.005820       0.3789728 2.356171       1.445406  
1 1 1 24  5  29 o 17.59925 0.7390219 3.099819       0.2598601 2.929038       0.3589857 3.287815       0.3766452 -1.016975      1.478044  
1 1 1 24  5  30 o 37.80571 0.6391680 14.32407       0.4832772 14.35778       0.6821429 14.29009       0.6847790 0.8983994E-01  1.278336  
1 1 1 24  5  31 o 36.78520 0.6368958 13.55216       0.4683865 14.02670       0.6728639 13.10603       0.6524068 1.248810       1.273792  
1 1 1 24  5  32 o 7.190401 1.937417  0.3430567      0.3720674 0.5365007      0.6306938 0.2397977      0.4607920 1.735375       3.874834  
1 1 1 24  5  33 o 63.91264 1.371833  41.40329       1.644732  41.55000       2.007443  41.10370       2.868679  0.6051750      2.743666  
1 1 1 24  5  34 o 28.19353 0.6606495 7.943508       0.3717128 7.564683       0.5057113 8.388696       0.5482207 -1.454880      1.321299  
1 1 1 24  5  35 o 24.47000 0.7011926 6.019190       0.3419702 6.630095       0.4854952 5.417636       0.4817642 2.476788       1.402385  
1 1 1 24  5  36 o 45.40444 0.6941931 20.64797       0.6297829 19.85741       0.8677567 21.52783       0.9154508 -1.831417      1.388386  
1 1 1 24  6  0  o 50.37408 0.6593744 25.29243       0.6627417 24.02287       0.9002255 26.79475       0.9792728 -2.748894      1.318749  
1 1 1 24  6  1  o 79.82835 0.9070492 63.78144       1.447922  64.53581       2.070737  63.05978       2.025360  0.9225616      1.814098  
1 1 1 24  6  2  o 49.51118 0.6491978 24.43101       0.6411477 23.26551       0.8689974 25.82341       0.9498236 -2.580608      1.298396  
1 1 1 24  6  3  o 101.1808 1.109399  102.5536       2.244980  102.8859       3.182931  102.2246       3.166893  0.3258896      2.218799  
1 1 1 24  6  4  o 49.46920 0.6467695 24.42619       0.6390197 25.66822       0.9341529 23.33384       0.8760623 2.357468       1.293539  
1 1 1 24  6  5  o 26.18932 0.5261050 6.706861       0.2724130 5.657830       0.3563673 8.181554       0.4225270 -4.816366      1.052210  
1 1 1 24  6  6  o 74.41302 0.8561234 55.43472       1.274110  55.29011       1.795331  55.58143       1.808467  -0.1951294     1.712247  
1 1 1 24  6  7  f 30.97220 0.5374439 9.586086       0.3325723 10.22350       0.4785465 8.990654       0.4625192 1.989761       1.074888  
1 1 1 24  6  8  f 75.91116 0.8723118 57.68937       1.324203  57.12661       1.855254  58.27381       1.890659  -0.7537842     1.744624  
1 1 1 24  6  9  o 74.22842 0.8570612 55.08979       1.271054  56.93149       1.849415  53.44114       1.749802  2.345573       1.714122  
1 1 1 24  6  10 o 102.2414 1.122131  104.7725       2.294210  103.7509       3.210863  105.8380       3.279224  -1.015335      2.244262  
1 1 1 24  6  11 o 79.76952 0.9091855 63.73602       1.450493  63.73388       2.046983  63.73816       2.055658  -0.2128601E-02 1.818371  
1 1 1 24  6  12 f 12.43861 0.7272632 1.488516       0.1703964 0.8956393      0.2198944 2.379577       0.2695791 -5.962564      1.454526  
1 1 1 24  6  13 o 82.59422 0.9365907 68.35000       1.547127  68.59930       2.193449  68.10318       2.182528  0.2995224      1.873181  
1 1 1 24  6  14 o 20.32658 0.5809209 4.096722       0.2349691 3.756367       0.3136904 4.531791       0.3546618 -1.905428      1.161842  
1 1 1 24  6  15 o 25.14327 0.5596897 6.306066       0.2806598 6.067819       0.3802695 6.591123       0.4159523 -1.038891      1.119379  
1 1 1 24  6  16 o 45.21550 0.9789237 20.38635       0.8828263 22.16986       1.307079  18.89019       1.197160  3.616455       1.957847  
1 1 1 24  6  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  6  18 o 62.14536 1.038362  38.74154       1.290445  38.54013       1.809683  38.94990       1.840642  -0.3262901     2.076723  
1 1 1 24  6  19 f 52.72073 0.6916910 27.77699       0.7283639 26.71987       0.9990991 28.97613       1.064095  -2.134827      1.383382  
1 1 1 24  6  20 o 32.21811 0.5923089 10.38452       0.3813117 11.02904       0.5467917 9.774343       0.5320239 1.946157       1.184618  
1 1 1 24  6  21 o 48.75283 0.6676452 23.48591       0.6455646 21.43931       0.8486311 26.29694       0.9945706 -4.969620      1.335290  
1 1 1 24  6  22 o 35.71785 0.6013421 12.77372       0.4294687 12.71791       0.6001908 12.83228       0.6147933 -0.1589279     1.202684  
1 1 1 24  6  23 o 10.12198 1.012721  1.008887       0.1958732 0.7597797      0.2548515 1.368416       0.3061687 -3.113213      2.025441  
1 1 1 24  6  24 o 55.23629 0.7199513 30.55428       0.7949286 29.98654       1.102823  31.16828       1.146868  -1.065170      1.439903  
1 1 1 24  6  25 o 16.74082 0.8321692 2.923662       0.2640647 3.243809       0.3361901 2.408021       0.4266613 2.506949       1.664338  
1 1 1 24  6  26 o 45.58999 0.6590433 20.74906       0.5997503 19.59239       0.8178601 22.09466       0.8821316 -2.737633      1.318087  
1 1 1 24  6  27 o 11.81839 0.9514707 1.380384       0.2229076 1.167782       0.2958388 1.659605       0.3390361 -2.073646      1.902941  
1 1 1 24  6  28 o 31.31143 0.6206979 9.820710       0.3886467 9.692568       0.5442055 9.954093       0.5552189 -0.4164143     1.241396  
1 1 1 24  6  29 f 21.16911 0.6871039 4.494567       0.2907476 4.603941       0.4079825 4.381697       0.4144520 0.5257301      1.374208  
1 1 1 24  6  30 o 28.99133 0.6358655 8.377384       0.3676568 7.659167       0.4997642 9.224579       0.5427866 -2.694464      1.271731  
1 1 1 24  6  31 o 27.30733 1.041131  7.460198       0.5648924 7.862858       0.8576882 7.151717       0.7507136 1.279655       2.082262  
1 1 1 24  6  32 o 29.09839 0.6473064 8.495576       0.3762781 8.632410       0.5223040 8.347929       0.5425485 0.4917526      1.294613  
1 1 1 24  6  33 o 37.55584 0.8523136 14.11038       0.6238812 13.91312       0.7948705 14.42689       1.006840  -0.6441231     1.704627  
1 1 1 24  6  34 o 9.024539 1.490149  0.8699304      0.2677714 1.101964       0.3729333 0.6230070      0.3847132 2.507937       2.980299  
1 1 1 24  6  35 o 16.96672 0.8391493 2.934116       0.2806658 3.274877       0.3820682 2.534684       0.4136534 2.187902       1.678299  
1 1 1 24  6  36 o 36.45370 0.7870294 13.13022       0.5429591 12.70048       0.6625464 14.00901       0.9474499 -1.739761      1.574059  
1 1 1 24  7  0  o 39.42764 0.5779334 15.46459       0.4543725 14.39184       0.6145522 16.75810       0.6748288 -2.999081      1.155867  
1 1 1 24  7  1  f 29.48946 0.5218949 8.693280       0.3076302 8.524169       0.4264126 8.876831       0.4442445 -0.5974865     1.043790  
1 1 1 24  7  2  f 60.00884 0.7309375 35.96989       0.8761918 37.40098       1.278172  34.70124       1.203446  2.246651       1.461875  
1 1 1 24  7  3  o 97.93175 1.078580  96.07222       2.112541  96.29017       2.991031  95.85527       2.984149  0.2216492      2.157161  
1 1 1 24  7  4  o 45.53656 0.6135836 20.74809       0.5587686 20.78354       0.7858292 20.71183       0.7946815 0.7902908E-01  1.227167  
1 1 1 24  7  5  o 76.08604 0.8708386 57.94200       1.324827  57.25919       1.848578  58.66305       1.899642  -0.9201126     1.741677  
1 1 1 24  7  6  o 87.84827 0.9825574 77.03552       1.721805  73.95505       2.335427  80.70375       2.548501  -3.829269      1.965115  
1 1 1 24  7  7  o 65.11011 0.7751393 42.43441       1.009364  42.71872       1.433423  42.15478       1.421564  0.4325180      1.550279  
1 1 1 24  7  8  o 38.82724 0.5733265 14.94740       0.4429203 13.76038       0.5908903 16.46967       0.6691525 -3.485996      1.146653  
1 1 1 24  7  9  f 49.86623 0.6493973 24.82208       0.6464790 23.86868       0.8824350 25.92659       0.9497956 -2.060402      1.298795  
1 1 1 24  7  10 o 39.62023 0.5814978 15.71008       0.4606760 15.80811       0.6457924 15.60852       0.6573499 0.2523575      1.162996  
1 1 1 24  7  11 f 20.23281 0.5352312 4.105475       0.2141463 4.930471       0.3085574 3.338829       0.2974454 3.932901       1.070462  
1 1 1 24  7  12 f 95.93151 1.062203  92.24277       2.037771  93.13641       2.906978  91.37936       2.857347  0.9116974      2.124406  
1 1 1 24  7  13 o 41.21642 0.6089168 16.96531       0.5013562 17.80065       0.7308862 16.22295       0.6890147 1.911804       1.217834  
1 1 1 24  7  14 o 125.0999 1.938974  157.9372       4.851241  157.4296       6.838904  158.4513       6.882687  -0.4010315     3.877948  
1 1 1 24  7  15 o 13.45217 1.640524  1.850247       0.4250818 1.412949       0.5815034 2.352098       0.6229471 -3.685445      3.281049  
1 1 1 24  7  16 o 64.74796 0.7818267 41.98888       1.012336  42.54975       1.443882  41.44661       1.419743  0.8499603      1.563653  
1 1 1 24  7  17 o 68.59140 0.8156574 47.04971       1.117489  48.87148       1.631869  45.44106       1.533455  2.492195       1.631315  
1 1 1 24  7  18 o 18.87386 0.6706348 3.291726       0.2428627 2.591105       0.2972336 4.698963       0.4212498 -5.574995      1.341270  
1 1 1 24  7  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  7  20 o 62.96333 0.9118775 40.24087       1.118763  37.46670       1.761646  42.11597       1.448318  -3.726696      1.823755  
1 1 1 24  7  21 o 62.51508 0.7728713 39.13359       0.9658064 40.18525       1.394012  38.16280       1.339341  1.612049       1.545743  
1 1 1 24  7  22 f 35.74870 0.6031274 12.56707       0.4271288 11.10346       0.5594842 14.61187       0.6613058 -4.898724      1.206255  
1 1 1 24  7  23 o 59.07715 0.8075685 34.91764       0.9429681 34.52158       1.238744  35.46339       1.454113  -0.7729149     1.615137  
1 1 1 24  7  24 f 32.96342 0.6105683 10.80215       0.4007876 10.04262       0.5371128 11.75635       0.6020233 -2.593639      1.221137  
1 1 1 24  7  25 f 32.02557 0.6104485 10.27033       0.3907739 10.20703       0.5427382 10.33847       0.5630994 -0.2033501     1.220897  
1 1 1 24  7  26 o 19.72854 0.6810784 3.794788       0.2643065 2.995249       0.3453474 4.925280       0.4106485 -4.884100      1.362157  
1 1 1 24  7  27 o 17.54107 0.7008323 3.099929       0.2446221 3.353011       0.3395855 2.826951       0.3526819 1.501118       1.401665  
1 1 1 24  7  28 o 12.98316 0.8581060 1.682599       0.2222035 1.542771       0.3019405 1.847792       0.3281839 -1.170688      1.716212  
1 1 1 24  7  29 o 47.58063 0.7579917 22.71020       0.7068244 22.69665       1.116820  22.71925       0.9129246 -0.5250549E-01 1.515983  
1 1 1 24  7  30 f 24.68905 1.099352  6.139235       0.5396831 6.115325       0.8069937 6.158580       0.7258874 -0.1053085     2.198704  
1 1 1 24  7  31 f 11.79257 0.9913611 1.391710       0.2330590 1.314066       0.3145245 1.486251       0.3470632 -0.7232313     1.982722  
1 1 1 24  7  32 o 12.16356 0.9957559 1.489380       0.2408195 1.494987       0.3238957 1.482448       0.3601172 0.5952072E-01  1.991512  
1 1 1 24  7  33 o 9.557346 1.268434  0.9500717      0.2323943 0.9328123      0.3113160 0.9717941      0.3492569 -0.1732159     2.536868  
1 1 1 24  7  34 o 65.51080 0.9855108 43.54175       1.239438  44.44857       1.558142  41.97932       2.045250  2.001045       1.971022  
1 1 1 24  7  35 o 31.37979 0.7669556 9.881266       0.4796843 9.957158       0.7095882 9.817399       0.6509507 0.2116528      1.533911  
1 1 1 24  7  36 o 9.337834 2.523524  0.000000       0.000000  ?              ?         0.9221765      0.4824957 ?              ?         
1 1 1 24  8  0  o 48.84486 0.9946628 23.86854       0.9711998 24.77447       1.399148  23.02616       1.349182  1.787106       1.989326  
1 1 1 24  8  1  o 54.51746 1.043758  29.74889       1.137664  30.65392       1.634351  28.89812       1.584602  1.607582       2.087515  
1 1 1 24  8  2  o 81.20956 1.343652  66.13007       2.182294  66.11713       3.075326  66.14320       3.097249  -0.1447296E-01 2.687303  
1 1 1 24  8  3  o 32.35991 0.9623724 10.48643       0.6228272 10.47069       0.8771566 10.50243       0.8845109 -0.4866028E-01 1.924745  
1 1 1 24  8  4  o 27.59340 0.9841400 7.628086       0.5409234 8.554455       0.7753977 6.749876       0.7549734 3.268835       1.968280  
1 1 1 24  8  5  o 77.23302 1.296340  59.62133       1.997567  57.22114       2.713330  62.46172       2.951668  -3.374916      2.592679  
1 1 1 24  8  6  o 49.34789 1.003160  24.36097       0.9893973 25.46544       1.429857  23.34634       1.370470  2.143471       2.006319  
1 1 1 24  8  7  o 65.25290 1.156588  42.68025       1.509319  43.16838       2.149079  42.20514       2.120213  0.7358780      2.313175  
1 1 1 24  8  8  o 111.2081 1.741981  124.3614       3.873039  122.5884       5.391109  126.2525       5.567769  -1.625893      3.483962  
1 1 1 24  8  9  f 31.40767 0.9674010 9.756155       0.6037430 8.689146       0.8018245 11.15309       0.9174525 -3.914682      1.934802  
1 1 1 24  8  10 o 55.53471 1.064028  30.90706       1.181710  31.45085       1.681979  30.37700       1.660608  0.9652061      2.128056  
1 1 1 24  8  11 f 11.43394 1.822649  1.386108       0.4062670 1.540672       0.5462784 1.194821       0.6077164 1.487290       3.645298  
1 1 1 24  8  12 o 44.25755 0.9863487 19.54421       0.8711184 21.19575       1.282016  18.12765       1.187321  3.458500       1.972697  
1 1 1 24  8  13 o 55.72143 0.9091011 31.27954       0.9296231 31.53925       1.114572  30.68588       1.685109  0.8093910      1.818202  
1 1 1 24  8  14 o 35.38061 0.5640165 12.46086       0.3979185 11.66067       0.5380386 13.42698       0.5911930 -2.493393      1.128033  
1 1 1 24  8  15 f 41.56534 0.6025715 17.28833       0.5008087 17.80322       0.7152867 16.79321       0.7014178 1.214138       1.205143  
1 1 1 24  8  16 o 13.33374 0.6158548 1.750432       0.1625117 1.586722       0.2119192 1.984143       0.2532050 -1.487622      1.231710  
1 1 1 24  8  17 o 23.57615 0.5532352 5.557236       0.2604359 5.459807       0.3568990 5.668208       0.3808948 -0.4405460     1.106470  
1 1 1 24  8  18 o 38.79912 0.5997504 14.93637       0.4633018 16.70486       0.6949483 13.52155       0.6215877 4.097267       1.199501  
1 1 1 24  8  19 o 59.96840 0.7493079 35.99503       0.8980986 35.08723       1.242751  36.98739       1.299344  -1.579178      1.498616  
1 1 1 24  8  20 o 29.05693 0.6863707 8.461354       0.3984787 8.927167       0.5650330 8.000452       0.5620468 1.594391       1.372741  
1 1 1 24  8  21 o 52.20287 0.9108719 27.32370       0.9505502 26.91781       1.320378  27.76036       1.369530  -0.8009644     1.821744  
1 1 1 24  8  22 o 52.52773 0.7002848 27.62362       0.7353421 28.29763       1.059983  26.99831       1.020975  1.233055       1.400570  
1 1 1 24  8  23 o 39.58427 0.6216618 15.65805       0.4914253 15.06681       0.6728877 16.33385       0.7194023 -1.596245      1.243324  
1 1 1 24  8  24 o 24.45720 0.6108928 5.993836       0.2983553 6.047859       0.4117253 5.934103       0.4329507 0.2344704      1.221786  
1 1 1 24  8  25 o 26.48674 0.6081332 7.019516       0.3217205 6.886884       0.4420037 7.168954       0.4691739 -0.5298328     1.216266  
1 1 1 24  8  26 o 55.91586 0.7329989 31.33516       0.8195484 32.06265       1.173500  30.64252       1.145057  1.266254       1.465998  
1 1 1 24  8  27 o 29.02976 0.6178383 8.367352       0.3568250 7.725459       0.4757069 9.193119       0.5395557 -2.520893      1.235677  
1 1 1 24  8  28 o 28.26586 1.081830  8.068616       0.6091766 7.468635       0.8774216 8.626956       0.8464257 -2.055037      2.163659  
1 1 1 24  8  29 o 21.90513 0.7126142 4.819416       0.3058165 4.850231       0.3953075 4.773484       0.4826241 0.1872501      1.425228  
1 1 1 24  8  30 o 6.245223 1.398853  0.3762945      0.1908581 0.3326792      0.2408955 0.4498353      0.3128050 -0.8995175     2.797706  
1 1 1 24  8  31 o 22.67430 0.6575125 5.137698       0.2972291 4.948349       0.4018278 5.366470       0.4416843 -0.9161625     1.315025  
1 1 1 24  8  32 o 21.93456 0.6973699 4.862719       0.3002039 6.055417       0.4306349 3.735103       0.4187207 5.287369       1.394740  
1 1 1 24  8  33 o 44.65918 0.6735857 20.00475       0.6016275 20.06577       0.8494663 19.94333       0.8521999 0.1375084      1.347171  
1 1 1 24  8  34 o 14.35864 0.8867045 2.051688       0.2532709 1.812629       0.3395725 2.351408       0.3802229 -1.867054      1.773409  
1 1 1 24  8  35 o 11.36764 1.332066  1.444427       0.2675985 1.664971       0.3314232 1.031348       0.4535769 2.997438       2.664131  
1 1 1 24  9  0  o 41.95668 0.9606742 17.59956       0.8052347 17.04960       1.107360  18.21668       1.173022  -1.387436      1.921348  
1 1 1 24  9  1  o 62.94491 1.133449  39.67761       1.426476  40.59132       2.047910  38.81649       1.988102  1.406136       2.266899  
1 1 1 24  9  2  o 14.67756 1.431949  2.145190       0.4187016 1.921818       0.5662443 2.414657       0.6219329 -1.674475      2.863899  
1 1 1 24  9  3  o 33.43391 0.9701509 11.08144       0.6454131 9.915287       0.8641216 12.55281       0.9706404 -3.938496      1.940302  
1 1 1 24  9  4  o 30.36858 0.9971222 9.047068       0.5970270 7.198820       0.7884771 11.53068       0.9140109 -7.124739      1.994244  
1 1 1 24  9  5  o 18.06304 1.251667  3.267662       0.4518200 3.168458       0.6239516 3.377027       0.6551277 -0.5748615     2.503334  
1 1 1 24  9  6  o 41.41515 0.9701012 17.16216       0.8028765 18.16443       1.156320  16.22914       1.115649  2.333771       1.940202  
1 1 1 24  9  7  o 42.26085 0.9826013 17.88978       0.8302992 18.46985       1.183397  17.32736       1.165254  1.350460       1.965203  
1 1 1 24  9  8  f 51.63591 1.039428  26.49898       1.068806  29.27632       1.603797  24.28003       1.433534  4.825603       2.078856  
1 1 1 24  9  9  o 37.79087 0.9705014 14.24622       0.7312376 13.55634       0.9878832 15.08230       1.087537  -2.011921      1.941003  
1 1 1 24  9  10 o 26.06007 1.041402  6.786368       0.5419127 6.336954       0.7436826 7.295166       0.7912918 -1.834576      2.082804  
1 1 1 24  9  11 o 52.53370 1.052544  27.64860       1.105301  27.05258       1.533207  28.29353       1.594880  -1.175716      2.105088  
1 1 1 24  9  12 o 27.21206 1.041834  7.436539       0.5659713 7.682957       0.7856256 7.170666       0.8160498 0.9440289      2.083667  
1 1 1 24  9  13 o 63.89688 1.160878  40.93415       1.482674  39.90140       2.054548  42.05649       2.141807  -1.677025      2.321757  
1 1 1 24  9  14 o 5.510818 1.752027  -0.2872327     0.4045906 -0.3410654     0.5537862 -0.2256037     0.5925319 -0.4741163     3.504053  
1 1 1 24  9  15 o 18.68510 1.303745  3.528364       0.4843982 3.863060       0.6743068 3.171472       0.6963078 1.853621       2.607491  
1 1 1 24  9  16 o 33.72451 1.019823  11.41237       0.6870486 12.13176       0.9770745 10.70878       0.9662822 2.108536       2.039645  
1 1 1 24  9  17 o 26.96890 0.5331718 7.216140       0.2863166 6.536018       0.3843917 8.063733       0.4291156 -2.829662      1.066344  
1 1 1 24  9  18 o 37.58589 0.5870708 14.09262       0.4403255 13.41210       0.5987260 14.89430       0.6498380 -1.968159      1.174142  
1 1 1 24  9  19 o 17.74412 0.6119138 3.158284       0.2166370 3.248048       0.2988664 3.058901       0.3144709 0.5341930      1.223828  
1 1 1 24  9  20 o 75.03011 0.8771752 56.44473       1.316026  55.79098       1.839052  57.13085       1.884046  -0.8876114     1.754350  
1 1 1 24  9  21 o 46.62800 0.7521954 21.72923       0.6771355 21.56168       0.8512134 22.01800       1.117458  -0.4622154     1.504391  
1 1 1 24  9  22 o 38.80579 0.7583213 15.02258       0.5866514 14.25145       0.7918926 15.96059       0.8733815 -2.193344      1.516643  
1 1 1 24  9  23 o 42.46320 0.6641498 18.09101       0.5627750 17.60368       0.8172159 18.53058       0.7761399 -1.095409      1.328300  
1 1 1 24  9  24 f 66.35037 1.216707  44.25615       1.613549  42.77166       2.234087  45.87491       2.332926  -2.319878      2.433414  
1 1 1 24  9  25 o 47.24739 0.6688139 22.34383       0.6313735 21.78486       0.8699875 22.96582       0.9177172 -1.244312      1.337628  
1 1 1 24  9  26 o 39.24557 0.8759846 15.93452       0.6220115 14.32538       1.127828  16.63792       0.7456684 -3.003082      1.751969  
1 1 1 24  9  27 o 20.18728 1.051065  4.042857       0.3218960 4.013727       0.3537029 4.183320       0.7766927 -0.3453712     2.102131  
1 1 1 24  9  28 o 30.67981 0.6158187 9.410987       0.3767454 9.178185       0.5108225 9.688653       0.5578790 -0.8264236     1.231637  
1 1 1 24  9  29 o 15.88164 0.7308285 2.499647       0.2304794 2.286188       0.3045171 2.785916       0.3526483 -1.566268      1.461657  
1 1 1 24  9  30 o 12.17411 0.8779278 1.504099       0.2091701 1.569594       0.2727284 1.410541       0.3259614 0.6632137      1.755856  
1 1 1 24  9  31 o 36.32993 0.6306483 13.19880       0.4576052 14.15854       0.6650124 12.33566       0.6306564 2.504013       1.261297  
1 1 1 24  9  32 o 48.25819 0.6929567 23.34897       0.6685840 22.93254       0.9306845 23.79305       0.9610896 -0.8867607     1.385913  
1 1 1 24  9  33 o 7.902246 1.342107  0.6437979      0.2061926 0.5874392      0.2641995 0.7316125      0.3297883 -0.8559728     2.684214  
1 1 1 24  9  34 o 52.67142 0.7255013 27.84405       0.7642633 27.82342       1.081117  27.86466       1.080546  -0.3924561E-01 1.451003  
1 1 1 24  9  35 o 4.543189 2.070144  0.000000       0.000000  ?              ?         -0.2652813     0.4176016 ?              ?         
1 1 1 24  10 0  o 88.51374 1.446316  78.56972       2.559281  77.43962       3.558123  79.78111       3.683894  -1.312500      2.892633  
1 1 1 24  10 1  o 47.96617 1.018026  22.99946       0.9751545 22.23754       1.335531  23.86953       1.427181  -1.695827      2.036051  
1 1 1 24  10 2  o 104.5042 1.658084  109.6664       3.464155  107.9481       4.818138  111.5053       4.984192  -1.685463      3.316168  
1 1 1 24  10 3  f 67.84504 1.210732  46.10417       1.642023  47.79394       2.366409  44.53512       2.280324  2.395081       2.421465  
1 1 1 24  10 4  f 39.19395 0.9888994 15.35001       0.7738706 14.72748       1.057553  16.06761       1.135429  -1.704426      1.977799  
1 1 1 24  10 5  o 52.12217 1.050889  27.08989       1.092608  29.23091       1.617613  25.29358       1.481681  3.767010       2.101779  
1 1 1 24  10 6  o 17.33735 1.327145  3.021401       0.4583901 3.353395       0.6520547 2.697021       0.6445336 1.892250       2.654290  
1 1 1 24  10 7  o 52.89568 1.065297  27.99808       1.126085  29.39563       1.630102  26.72235       1.557431  2.521454       2.130593  
1 1 1 24  10 8  o 39.96495 0.9933689 16.00218       0.7938221 15.85837       1.109040  16.15326       1.136741  -0.3668709     1.986738  
1 1 1 24  10 9  o 28.24074 1.028835  7.998088       0.5808424 8.212644       0.8176557 7.779519       0.8252675 0.7674770      2.057670  
1 1 1 24  10 10 o 26.70943 1.062277  7.045534       0.5620877 5.865273       0.7488845 8.568266       0.8506237 -5.050961      2.124553  
1 1 1 24  10 11 o 13.03633 1.711993  1.728523       0.4361213 1.514633       0.5910880 1.984092       0.6461164 -2.006772      3.423986  
1 1 1 24  10 12 o 67.78834 1.210206  45.95856       1.636934  48.63025       2.418088  43.69851       2.224017  3.615555       2.420413  
1 1 1 24  10 13 o 36.78653 1.010300  13.56524       0.7428418 14.25773       1.062517  12.90312       1.038953  1.838776       2.020600  
1 1 1 24  10 14 o 63.11027 1.167691  39.85454       1.471059  42.21599       2.163494  37.82401       2.006184  3.460384       2.335381  
1 1 1 24  10 15 o 15.09109 1.679397  2.415966       0.4762251 2.995979       0.6521779 1.753440       0.6970249 4.342197       3.358794  
1 1 1 24  10 16 o 22.64319 2.836481  5.193315       1.284540  5.193315       1.284540  ?              ?         ?              ?         
1 1 1 24  10 17 o 12.01706 2.029499  1.511483       0.4785821 1.433185       0.6351485 1.614329       0.7279346 -0.7028360     4.058997  
1 1 1 24  10 18 o 31.38102 1.077673  9.816859       0.6738968 8.899006       0.9101973 10.93042       1.002550  -3.224094      2.155345  
1 1 1 24  10 19 o 67.58284 1.228264  45.90627       1.659384  45.09076       2.303887  46.78539       2.392042  -1.239311      2.456529  
1 1 1 24  10 20 f 36.25055 0.8587267 13.20232       0.5198716 13.22207       0.5908185 13.13461       1.094175  0.1769791      1.717453  
1 1 1 24  10 21 o 64.05219 0.7816864 41.09260       1.000797  40.15184       1.386932  42.11459       1.445570  -1.525654      1.563373  
1 1 1 24  10 22 o 29.73157 0.5646603 8.845010       0.3355058 8.700199       0.4639483 9.003754       0.4857562 -0.5086899     1.129321  
1 1 1 24  10 23 o 13.52861 0.7032452 1.790767       0.1878019 1.464834       0.2461391 2.244866       0.2905309 -2.878152      1.406490  
1 1 1 24  10 24 o 21.49961 0.8045669 4.647512       0.3125570 4.610839       0.5833554 4.662280       0.3701746 -0.1477070     1.609134  
1 1 1 24  10 25 o 15.00314 1.804886  2.330496       0.5124395 1.483194       0.6945375 3.342818       0.7591651 -6.363767      3.609772  
1 1 1 24  10 26 o 10.38805 1.615799  0.6645796      0.2385637 2.027941       0.7169060 0.4948084      0.2529815 7.012541       3.231597  
1 1 1 24  10 27 o 24.07152 0.6112429 5.762603       0.2925677 5.429942       0.3893174 6.194218       0.4434552 -1.581356      1.222486  
1 1 1 24  10 28 o 31.86008 0.6113008 10.17778       0.3892779 10.53055       0.5484005 9.819492       0.5526686 1.116419       1.222602  
1 1 1 24  10 29 o 22.50406 0.6428369 5.103226       0.2878014 5.494260       0.3981417 4.675290       0.4165044 1.822037       1.285674  
1 1 1 24  10 30 o 29.36693 0.6094444 8.631405       0.3576639 8.202229       0.4955354 9.098128       0.5167580 -1.522470      1.218889  
1 1 1 24  10 31 o 21.64911 0.6472052 4.705274       0.2797758 4.829604       0.3880718 4.570717       0.4037173 0.6001797      1.294410  
1 1 1 24  10 32 f 17.51653 0.7307712 3.108095       0.2536043 3.448778       0.3498089 2.730650       0.3681984 2.053045       1.461542  
1 1 1 24  10 33 o 50.98653 0.7122718 26.08774       0.7262683 26.24638       1.034783  25.93372       1.019582  0.3038902      1.424544  
1 1 1 24  10 34 o 39.14367 0.7942165 15.44345       0.6169912 15.86223       0.8295008 14.92482       0.9230995 1.215778       1.588433  
1 1 1 24  11 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  11 1  o 33.64224 1.472622  0.000000       0.000000  ?              ?         11.34058       0.9908460 ?              ?         
1 1 1 24  11 2  o 74.53898 1.287177  55.65081       1.916333  54.14594       2.630000  57.35406       2.798002  -2.137207      2.574353  
1 1 1 24  11 3  o 55.48759 1.089182  30.85449       1.208273  30.62653       1.683285  31.09680       1.735420  -0.4197807     2.178364  
1 1 1 24  11 4  o 17.77793 1.333322  3.182617       0.4724215 3.400928       0.6580041 2.950367       0.6786856 1.269119       2.666644  
1 1 1 24  11 5  o 32.48590 1.021719  10.58662       0.6627691 11.27316       0.9371521 9.899641       0.9374421 2.114054       2.043439  
1 1 1 24  11 6  o 83.66154 1.400310  69.45127       2.322538  64.40950       3.050215  76.40750       3.582826  -7.115372      2.800620  
1 1 1 24  11 7  o 80.64955 1.362548  65.24863       2.195927  63.82431       3.031933  66.82010       3.184718  -1.840828      2.725097  
1 1 1 24  11 8  o 46.46837 1.039017  21.33494       0.9579075 19.21061       1.261271  24.23038       1.472496  -5.383110      2.078033  
1 1 1 24  11 9  o 18.93343 1.350601  3.535067       0.5022390 2.701521       0.6668067 4.627953       0.7635236 -5.076315      2.701201  
1 1 1 24  11 10 f 37.28115 1.022627  13.93602       0.7619216 13.93814       1.057306  13.93374       1.098939  0.9735107E-02  2.045253  
1 1 1 24  11 11 o 22.23963 1.233135  5.005769       0.5441319 5.485212       0.7501567 4.473423       0.7904617 2.279520       2.466269  
1 1 1 24  11 12 f 30.00263 1.071056  9.026838       0.6410192 8.966539       0.8741912 9.096968       0.9427636 -0.2098083     2.142112  
1 1 1 24  11 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  11 14 o 14.91700 1.641349  2.232352       0.4883233 2.093772       0.6612506 2.398584       0.7242246 -1.010470      3.282698  
1 1 1 24  11 15 o 42.67512 1.042252  18.27315       0.8892386 18.96492       1.265894  17.59927       1.249414  1.598095       2.084504  
1 1 1 24  11 16 o 27.90853 1.136899  7.823252       0.6326891 7.824132       0.8621842 7.822225       0.9313257 0.1288414E-01  2.273799  
1 1 1 24  11 17 o 82.87018 1.403852  69.06721       2.324183  67.25794       3.197821  71.09308       3.383843  -2.280693      2.807705  
1 1 1 24  11 18 o 11.76445 2.086803  1.451041       0.4885453 1.349933       0.6554151 1.577460       0.7328701 -0.9016190     4.173606  
1 1 1 24  11 19 o 31.67306 1.079480  10.05702       0.6828832 9.713656       0.9365333 10.44682       0.9978675 -1.148371      2.158960  
1 1 1 24  11 20 o 49.39069 1.088127  24.51344       1.074701  24.75830       1.511644  24.26318       1.528204  0.5037842      2.176253  
1 1 1 24  11 21 o 48.44887 1.080076  23.58638       1.046538  23.61306       1.474868  23.55932       1.485245  0.5710220E-01  2.160152  
1 1 1 24  11 22 o 78.31593 1.358292  61.81347       2.127347  61.40589       2.986072  62.23356       3.031489  -0.5190659     2.716584  
1 1 1 24  11 23 o 39.81934 1.075764  15.87729       0.8549549 14.86082       1.165465  17.06161       1.258009  -2.746891      2.151527  
1 1 1 24  11 24 o 24.62637 0.6173396 6.034348       0.3028880 5.606793       0.4071430 6.564234       0.4532544 -1.938929      1.234679  
1 1 1 24  11 25 o 7.115522 1.009194  0.5430142      0.1373498 0.6357516      0.1788454 0.4096765      0.2144503 1.690673       2.018389  
1 1 1 24  11 26 o 23.95252 0.5804740 5.742671       0.2779015 5.624658       0.3848715 5.871228       0.4016922 -0.5129089     1.160948  
1 1 1 24  11 27 o 46.82514 0.6701189 21.97956       0.6275476 22.22392       0.8909115 21.73892       0.8841003 0.5169945      1.340238  
1 1 1 24  11 28 o 41.24408 0.6392456 17.03370       0.5270406 17.67559       0.7592786 16.43686       0.7321570 1.498196       1.278491  
1 1 1 24  11 29 f 33.99976 0.6176597 11.52113       0.4184942 10.83578       0.5633689 12.36494       0.6251162 -2.240253      1.235319  
1 1 1 24  11 30 o 43.75221 0.6696687 19.19666       0.5859724 19.37023       0.8288188 19.02319       0.8285616 0.3965530      1.339337  
1 1 1 24  11 31 o 36.00188 0.6240211 12.97550       0.4489734 12.48319       0.6204723 13.51659       0.6504784 -1.430813      1.248042  
1 1 1 24  11 32 o 41.92282 0.6523897 17.62625       0.5469625 17.84583       0.7790266 17.41278       0.7681322 0.5147018      1.304779  
1 1 1 24  11 33 o 31.18518 0.9626816 9.598784       0.5308676 10.19350       1.042570  9.390616       0.6168192 1.189447       1.925363  
1 1 1 24  12 0  f 89.68739 2.080985  80.78334       3.732762  80.78334       3.732762  ?              ?         ?              ?         
1 1 1 24  12 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  12 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  12 3  o 19.31647 1.890796  0.000000       0.000000  ?              ?         3.744702       0.7304701 ?              ?         
1 1 1 24  12 4  o 60.75987 1.152810  36.91513       1.398600  38.89872       2.050896  35.19075       1.912215  3.039364       2.305619  
1 1 1 24  12 5  o 43.30315 1.030889  18.64742       0.8891993 17.05568       1.195066  20.62160       1.330909  -4.106285      2.061779  
1 1 1 24  12 6  o 79.77986 1.358146  63.92296       2.167030  64.20364       3.062700  63.64157       3.066590  0.3526993      2.716291  
1 1 1 24  12 7  o 61.42019 1.163898  37.63937       1.424389  35.56810       1.916086  40.19789       2.129565  -3.747784      2.327796  
1 1 1 24  12 8  o 9.928074 2.132962  1.006961       0.4635279 1.135905       0.6240329 0.8482493      0.6923285 1.033725       4.265923  
1 1 1 24  12 9  o 73.20268 1.615019  53.26370       2.177919  52.20237       2.601593  55.74979       3.981743  -2.215904      3.230038  
1 1 1 24  12 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  12 11 o 57.28331 1.141305  32.93332       1.307071  32.70957       1.821173  33.17100       1.877047  -0.3961105     2.282610  
1 1 1 24  12 12 o 44.95419 1.058401  20.23925       0.9504929 21.63480       1.375140  18.96259       1.315258  2.965431       2.116802  
1 1 1 24  12 13 o 10.35114 2.078953  1.085685       0.4618565 0.7467095      0.6330611 1.471417       0.6753117 -2.936762      4.157905  
1 1 1 24  12 14 o 73.22724 1.289532  53.91552       1.888548  54.34143       2.675503  53.49258       2.666143  0.5782013      2.579065  
1 1 1 24  12 15 o 7.457522 2.067187  0.3088552      0.4504743 0.1512992      0.6058590 0.5036448      0.6736540 -1.368747      4.134374  
1 1 1 24  12 16 o 41.59060 1.056716  17.38844       0.8776916 17.82878       1.218494  16.91360       1.265317  1.106598       2.113432  
1 1 1 24  12 17 o 49.15858 1.075199  24.27200       1.056945  24.83178       1.498832  23.71828       1.490695  1.131378       2.150398  
1 1 1 24  12 18 o 19.36957 1.436727  3.698581       0.5426299 2.683876       0.7162549 5.065519       0.8313276 -6.125692      2.873453  
1 1 1 24  12 19 o 58.92095 1.162243  34.86958       1.368842  36.02466       1.976468  33.80484       1.897610  1.870659       2.324487  
1 1 1 24  12 20 o 33.74680 1.113232  11.46982       0.7497591 11.94692       1.041849  10.95732       1.079808  1.472374       2.226464  
1 1 1 24  12 21 o 44.87254 1.090462  20.22784       0.9782932 19.85271       1.361703  20.62800       1.406411  -0.8564644     2.180924  
1 1 1 24  12 22 o 46.72926 1.096938  21.91776       1.024053  21.06955       1.408390  22.86922       1.491653  -1.910412      2.193876  
1 1 1 24  12 23 o 62.11899 1.209141  38.85096       1.501830  38.11773       2.095198  39.62581       2.153832  -1.201408      2.418281  
1 1 1 24  12 24 o 51.14484 1.135476  26.27417       1.160175  27.44596       1.690308  25.23042       1.595283  2.146877       2.270952  
1 1 1 24  12 25 o 9.910237 3.336602  0.9528819      0.7832948 0.9528819      0.7832948 ?              ?         ?              ?         
1 1 1 24  12 26 o 43.60945 0.7841926 19.02254       0.6825561 18.18862       0.9295650 19.99817       1.005456  -2.063068      1.568385  
1 1 1 24  12 27 o 8.448040 0.8155094 0.7106231      0.1368801 0.6693758      0.1814979 0.7650265      0.2084424 -0.5616856     1.631019  
1 1 1 24  12 28 o 66.40820 0.8199305 44.28611       1.088968  44.18761       1.533214  44.38639       1.546943  -0.1471558     1.639861  
1 1 1 24  12 29 o 30.44434 0.5983490 9.276711       0.3638483 9.059169       0.4996604 9.522283       0.5308756 -0.7564716     1.196698  
1 1 1 24  12 30 f 38.17743 0.6351715 14.56188       0.4838368 13.89813       0.6572466 15.34715       0.7148776 -1.889271      1.270343  
1 1 1 24  12 31 f 34.69655 0.6285604 12.05623       0.4356238 11.77532       0.5984995 12.37273       0.6352742 -0.8551369     1.257121  
1 1 1 24  12 32 o 7.844954 2.130078  0.3778899      0.5034050 -0.2383018     0.8081622 0.7685566      0.6434929 -2.144761      4.260156  
1 1 1 24  12 33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  13 0  o 73.57166 1.290574  54.30791       1.898940  54.87646       2.694543  53.74692       2.676561  0.7659912      2.581148  
1 1 1 24  13 1  o 55.13204 1.114488  30.47677       1.228671  30.59301       1.723648  30.35669       1.751903  0.2166634      2.228976  
1 1 1 24  13 2  o 73.57748 1.299320  54.26918       1.909399  53.10166       2.621422  55.58863       2.786752  -1.673294      2.598639  
1 1 1 24  13 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  13 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  13 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  13 6  o 52.26022 1.114929  27.38909       1.165153  27.89145       1.665190  26.90721       1.630894  0.9382553      2.229857  
1 1 1 24  13 7  f 18.73986 1.430327  3.537692       0.5349086 3.664115       0.7411849 3.400271       0.7727521 0.7082195      2.860654  
1 1 1 24  13 8  o 50.10880 1.093893  25.14661       1.094813  24.32374       1.501903  26.07963       1.599278  -1.741405      2.187787  
1 1 1 24  13 9  o 16.80840 1.573336  2.750058       0.5194215 2.192909       0.6709626 3.583344       0.8205584 -4.111747      3.146672  
1 1 1 24  13 10 o 45.83308 1.081088  20.97460       0.9879078 19.79859       1.334274  22.40157       1.469758  -2.824181      2.162176  
1 1 1 24  13 11 f 44.58691 1.071694  19.85659       0.9533015 21.79877       1.401327  18.18349       1.300641  4.042454       2.143389  
1 1 1 24  13 12 o 22.15332 1.294961  4.956246       0.5710494 5.395542       0.7972125 4.493319       0.8183750 2.039431       2.589921  
1 1 1 24  13 13 f 34.77314 1.082144  12.15497       0.7513275 12.92655       1.060363  11.37702       1.064725  2.228622       2.164289  
1 1 1 24  13 14 o 19.57909 1.402194  3.864256       0.5475201 3.919368       0.7498016 3.801299       0.8013911 0.3105736      2.804387  
1 1 1 24  13 15 o 40.71884 1.069342  16.65645       0.8702333 17.41699       1.232984  15.90154       1.228420  1.860229       2.138683  
1 1 1 24  13 16 o 39.46083 1.077508  15.64316       0.8500494 15.73081       1.187437  15.55103       1.217427  0.2321701      2.155016  
1 1 1 24  13 17 o 24.94524 1.229860  6.217537       0.6085705 5.952109       0.8036166 6.574433       0.9318478 -1.225660      2.459720  
1 1 1 24  13 18 o 28.22951 1.182202  8.033591       0.6648917 8.852957       0.9411947 7.217338       0.9394056 2.896698       2.364403  
1 1 1 24  13 19 o 23.27097 1.310805  5.457868       0.6094794 5.560923       0.8484941 5.348014       0.8760335 0.4627476      2.621611  
1 1 1 24  13 20 o 42.82413 1.100694  18.38136       0.9409394 20.03083       1.369688  16.90725       1.294842  3.634277       2.201388  
1 1 1 24  13 21 o 14.64175 1.940437  2.248254       0.5511035 2.510690       0.7542025 1.947599       0.8072557 2.192054       3.880874  
1 1 1 24  13 22 o 31.57665 1.147269  9.975926       0.7223470 9.195792       0.9777747 10.91330       1.071792  -2.700603      2.294538  
1 1 1 24  13 23 o 24.83961 1.338267  6.213608       0.6640950 5.832143       0.9186057 6.631257       0.9611849 -1.598475      2.676534  
1 1 1 24  13 24 o 32.34614 1.164562  10.53402       0.7531331 10.16095       1.057186  10.91847       1.073177  -1.167542      2.329125  
1 1 1 24  13 25 o 44.77761 1.137265  20.19425       1.018471  20.25165       1.438719  20.13660       1.441959  0.1291809      2.274530  
1 1 1 24  13 26 o 43.01910 1.619111  18.64446       1.393054  18.64446       1.393054  ?              ?         ?              ?         
1 1 1 24  13 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  13 28 o 35.54320 1.207617  12.71522       0.8565614 11.58622       1.181773  13.96481       1.243288  -3.329712      2.415234  
1 1 1 24  13 29 o 48.46433 0.6821629 23.54888       0.6609727 23.20243       0.9200539 23.91840       0.9501871 -0.7339287     1.364326  
1 1 1 24  13 30 o 54.19196 1.052014  29.50158       1.088998  29.91431       1.840938  29.27942       1.350658  0.4591370      2.104028  
1 1 1 24  13 31 o 9.157578 2.333652  0.5310351      0.6011849 1.350139       0.8841984 -0.1731867     0.8198510 4.404280       4.667304  
1 1 1 24  13 32 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  14 0  o 92.77916 1.531059  86.50285       2.840132  88.30804       4.078981  84.80409       3.956908  1.873016       3.062117  
1 1 1 24  14 1  o 55.99139 1.129937  31.44754       1.265013  31.56456       1.770977  31.32563       1.807580  0.2168159      2.259874  
1 1 1 24  14 2  o 41.72131 1.065571  17.47639       0.8880026 18.11543       1.240906  16.80567       1.271296  1.572414       2.131143  
1 1 1 24  14 3  o 19.94336 1.367026  3.973784       0.5435142 3.577005       0.7402287 4.437932       0.8006074 -2.151163      2.734052  
1 1 1 24  14 4  o 18.85450 1.440734  3.571532       0.5423787 3.531630       0.7439666 3.616799       0.7924011 -0.2194538     2.881468  
1 1 1 24  14 5  o 20.66032 3.010823  4.321339       1.244092  4.321339       1.244092  ?              ?         ?              ?         
1 1 1 24  14 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  14 7  f 24.58910 3.006733  0.000000       0.000000  ?              ?         6.126767       1.478657  ?              ?         
1 1 1 24  14 8  o 15.44571 1.823802  2.596326       0.5198565 3.652903       0.7239109 1.471248       0.7470092 7.231327       3.647603  
1 1 1 24  14 9  o 45.78301 1.087889  20.95599       0.9937613 23.07261       1.452890  19.09519       1.362265  4.333073       2.175777  
1 1 1 24  14 10 o 59.70919 1.174045  35.74841       1.400329  34.63338       1.923702  37.00521       2.042346  -1.970360      2.348090  
1 1 1 24  14 11 o 33.39735 1.118282  11.21184       0.7456772 11.98286       1.055722  10.44424       1.053375  2.303204       2.236564  
1 1 1 24  14 12 o 36.26929 1.100662  13.19018       0.7971639 12.87193       1.092170  13.55302       1.166187  -0.9288788     2.201324  
1 1 1 24  14 13 o 18.23262 1.507033  3.335520       0.5461202 3.213687       0.7272333 3.493078       0.8270136 -0.7467537     3.014065  
1 1 1 24  14 14 o 17.51725 1.692858  3.217283       0.5505711 4.360645       0.7870676 2.121696       0.7704486 6.588899       3.385715  
1 1 1 24  14 15 o 39.01243 1.095825  15.24959       0.8535771 14.61944       1.166492  15.97592       1.252358  -1.725700      2.191650  
1 1 1 24  14 16 o 33.55665 1.142607  11.28150       0.7637782 10.92518       1.028427  11.71975       1.140544  -1.165924      2.285215  
1 1 1 24  14 17 o 21.26456 1.405659  4.599222       0.5923952 5.079061       0.8164476 4.065757       0.8608626 2.391645       2.811318  
1 1 1 24  14 18 o 28.90825 1.201499  8.275297       0.6891576 7.181980       0.9121981 9.729121       1.051894  -4.380735      2.402998  
1 1 1 24  14 19 o 37.02420 1.121606  13.79878       0.8292662 14.67646       1.172971  12.92173       1.172548  2.369633       2.243213  
1 1 1 24  14 20 o 36.92527 1.124673  13.71722       0.8299841 13.68368       1.151595  13.75348       1.197288  -0.8569336E-01 2.249345  
1 1 1 24  14 21 o 7.476789 2.179325  0.1636328      0.5361452 0.4102204      0.7159210 -0.1512710     0.8090370 0.9889960      4.358650  
1 1 1 24  14 22 f 32.65705 1.161065  10.73675       0.7582672 10.93793       1.075359  10.53781       1.069369  0.6113815      2.322129  
1 1 1 24  14 23 o 27.39289 1.296102  7.454605       0.7046270 6.481732       0.9336479 8.742002       1.074018  -4.091969      2.592204  
1 1 1 24  14 24 o 15.35452 2.032497  2.425669       0.6044977 1.737117       0.8121071 3.281188       0.9052324 -5.202359      4.064995  
1 1 1 24  14 25 o 24.31907 1.466644  6.022259       0.6967580 7.732446       1.008480  4.460354       0.9637688 6.714464       2.933287  
1 1 1 24  14 26 o 52.73211 1.199031  28.03372       1.263930  27.26969       1.754263  28.85846       1.822630  -1.488201      2.398063  
1 1 1 24  14 27 o 26.06089 1.937369  6.871154       1.009791  6.871154       1.009791  ?              ?         ?              ?         
1 1 1 24  14 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  14 29 o 15.19270 2.148075  2.460615       0.6300255 2.590824       0.8961121 2.333342       0.8859559 0.8498173      4.296151  
1 1 1 24  14 30 o 7.932878 2.320129  0.2065778      0.6015176 0.3351043      0.8741586 0.9099136E-01  0.8289865 0.7533455      4.640258  
1 1 1 24  14 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  15 0  o 64.43684 1.211168  41.67384       1.560616  41.56181       2.185801  41.79033       2.228920  -0.1726151     2.422337  
1 1 1 24  15 1  o 68.48506 1.250836  47.09623       1.713201  47.60418       2.423504  46.58884       2.422159  0.7411270      2.501671  
1 1 1 24  15 2  o 15.15645 1.820964  2.462663       0.5139106 3.549486       0.7294189 1.391430       0.7241681 7.270376       3.641928  
1 1 1 24  15 3  o 70.62296 1.276446  50.04202       1.801074  48.73698       2.480206  51.49801       2.619722  -1.936798      2.552891  
1 1 1 24  15 4  o 77.04210 1.349695  59.46995       2.075321  62.75940       3.058331  56.66252       2.825385  3.924263       2.699390  
1 1 1 24  15 5  o 48.93465 1.105956  24.03448       1.081525  24.07396       1.500504  23.99180       1.560262  0.9087753E-01  2.211911  
1 1 1 24  15 6  o 64.45078 1.222029  41.63206       1.573359  43.76373       2.293294  39.73646       2.162586  3.107304       2.444058  
1 1 1 24  15 7  o 51.52070 2.418458  26.78504       2.492013  26.78504       2.492013  ?              ?         ?              ?         
1 1 1 24  15 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  15 9  o 45.46789 1.610471  0.000000       0.000000  ?              ?         20.76316       1.464495  ?              ?         
1 1 1 24  15 10 o 39.13121 1.111042  15.34074       0.8677041 14.83185       1.182208  15.93505       1.277571  -1.396538      2.222085  
1 1 1 24  15 11 o 55.11210 1.155307  30.47040       1.271954  29.52340       1.748381  31.53513       1.853880  -1.809452      2.310614  
1 1 1 24  15 12 o 45.94598 1.110631  21.19690       1.019414  20.97439       1.405172  21.44413       1.481165  -0.4999237     2.221262  
1 1 1 24  15 13 o 24.34906 1.310617  5.967134       0.6362218 5.958371       0.8657470 5.977423       0.9381103 -0.2624893E-01 2.621233  
1 1 1 24  15 14 o 22.32678 1.394100  5.017609       0.6206494 4.957869       0.8434078 5.088171       0.9166167 -0.2776794     2.788199  
1 1 1 24  15 15 o 49.95656 1.144930  25.09621       1.142993  25.24438       1.587228  24.93661       1.647320  0.3179817      2.289860  
1 1 1 24  15 16 o 7.206501 2.147890  0.4951693E-01  0.5351304 0.2614520      0.7228075 -0.2075533     0.7960624 0.7682681      4.295779  
1 1 1 24  15 17 o 63.14344 1.233964  40.07101       1.556219  39.02475       2.135551  41.25574       2.272477  -1.740875      2.467928  
1 1 1 24  15 18 o 31.71698 1.207393  10.12820       0.7619953 11.52671       1.095857  8.819044       1.060272  4.261427       2.414786  
1 1 1 24  15 19 f 11.42112 2.318301  1.378924       0.5642112 1.619808       0.7697327 1.099221       0.8294386 1.841784       4.636602  
1 1 1 24  15 20 o 20.12667 1.584630  4.156516       0.6279026 4.870126       0.8745155 3.397171       0.9021040 3.666803       3.169260  
1 1 1 24  15 21 o 30.46247 1.223644  9.300527       0.7428015 8.800151       0.9999776 9.916510       1.109498  -1.808371      2.447289  
1 1 1 24  15 22 o 23.18542 1.427014  5.440836       0.6608601 5.648564       0.9242119 5.223503       0.9453407 0.9223347      2.854028  
1 1 1 24  15 23 o 18.01237 1.756266  3.300002       0.6319352 3.519929       0.9023414 3.088310       0.8852853 1.192175       3.512532  
1 1 1 24  15 24 o 36.71990 1.216366  13.59925       0.8932658 13.59038       1.257848  13.60828       1.268760  -0.2164841E-01 2.432732  
1 1 1 24  15 25 o 49.21211 1.188369  24.43615       1.169548  24.77369       1.653081  24.09787       1.654901  0.6871147      2.376738  
1 1 1 24  15 26 o 48.39478 1.193759  23.62923       1.155425  23.73365       1.634060  23.52482       1.633977  0.2157402      2.387517  
1 1 1 24  15 27 o 17.72784 1.983202  3.255523       0.6711643 4.261643       0.9920951 2.406466       0.9113737 5.439663       3.966403  
1 1 1 24  15 28 o 42.42482 1.548782  18.21782       1.207717  18.08694       1.445335  18.52063       2.198475  -0.2261124     3.097563  
1 1 1 24  15 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  15 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  16 0  o 60.01896 1.182686  36.16947       1.419425  36.15889       1.988805  36.18047       2.026465  -0.1338196E-01 2.365373  
1 1 1 24  16 1  o 7.958991 2.175284  0.3829349      0.5042719 0.6448804      0.7006844 0.1014856      0.7263016 1.500813       4.350568  
1 1 1 24  16 2  o 55.27281 1.148418  30.66667       1.268686  30.56368       1.761078  30.77779       1.829249  -0.1854553     2.296835  
1 1 1 24  16 3  o 25.58475 1.280846  6.572309       0.6489539 7.874178       0.9423191 5.397841       0.8950251 4.833078       2.561691  
1 1 1 24  16 4  f 61.87518 1.213520  38.45933       1.501590  38.42990       2.108597  38.48961       2.138865  -0.4422760E-01 2.427040  
1 1 1 24  16 5  o 56.65287 1.169892  31.96987       1.319979  35.45235       1.977707  29.17238       1.772560  5.515388       2.339783  
1 1 1 24  16 6  o 16.57185 1.744467  2.865515       0.5504509 3.475470       0.7675078 2.219475       0.7898847 4.010981       3.488934  
1 1 1 24  16 7  o 31.18555 1.172621  9.709035       0.7290318 8.939772       0.9854231 10.63915       1.083564  -2.710752      2.345243  
1 1 1 24  16 8  o 39.05516 1.122504  15.32079       0.8742434 16.91159       1.252302  13.80844       1.221025  3.968399       2.245008  
1 1 1 24  16 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  16 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  16 11 o 48.08571 1.657181  0.000000       0.000000  ?              ?         23.24436       1.593735  ?              ?         
1 1 1 24  16 12 o 75.73555 1.363526  57.74614       2.064822  59.23848       2.959473  56.33065       2.882257  1.905190       2.727051  
1 1 1 24  16 13 o 27.03493 1.271108  7.344344       0.6854015 7.195927       0.9313479 7.519687       1.012314  -0.5839901     2.542216  
1 1 1 24  16 14 o 41.15442 1.145083  17.01368       0.9405736 18.56889       1.351953  15.55480       1.309411  3.654816       2.290167  
1 1 1 24  16 15 f 43.31866 1.137901  18.85150       0.9850970 18.47213       1.361813  19.26790       1.426728  -0.9074554     2.275802  
1 1 1 24  16 16 o 42.54543 1.140447  18.10769       0.9667860 17.10883       1.300512  19.34155       1.445424  -2.597416      2.280893  
1 1 1 24  16 17 o 22.57927 1.508175  5.254944       0.6637169 6.498928       0.9298313 3.962694       0.9476987 5.620808       3.016349  
1 1 1 24  16 18 o 40.25929 1.170052  16.33960       0.9404147 16.73816       1.301565  15.90427       1.360271  1.047737       2.340103  
1 1 1 24  16 19 o 37.87243 1.172354  14.46334       0.8865581 15.24773       1.245393  13.65745       1.262344  2.103027       2.344708  
1 1 1 24  16 20 o 8.094198 2.294907  0.3275712      0.5722285 0.5186343      0.7760939 0.9996783E-01  0.8470619 0.8126831      4.589814  
1 1 1 24  16 21 o 31.94423 1.242052  10.28961       0.7931063 10.26267       1.103154  10.31844       1.141049  -0.7817650E-01 2.484103  
1 1 1 24  16 22 o 18.07463 1.776524  3.333679       0.6404615 3.520294       0.8921455 3.135232       0.9199952 1.075050       3.553049  
1 1 1 24  16 23 o 51.54579 1.205082  26.59055       1.237429  24.18880       1.665715  29.54831       1.848500  -5.151993      2.410164  
1 1 1 24  16 24 f 30.72117 1.312402  9.448175       0.8024089 8.413517       1.077228  10.73781       1.202660  -3.746225      2.624804  
1 1 1 24  16 25 o 52.96516 1.219030  28.31586       1.291321  28.29646       1.824285  28.33534       1.828127  -0.3565979E-01 2.438061  
1 1 1 24  16 26 f 29.89529 1.369400  9.018488       0.8173961 9.705259       1.194942  8.414530       1.120583  2.134878       2.738800  
1 1 1 24  16 27 o 76.46492 1.413793  59.28767       2.161659  59.92432       3.094811  58.68118       3.020634  0.7864838      2.827586  
1 1 1 24  16 28 o 32.30815 1.353826  10.56848       0.8743156 10.51775       1.215305  10.62290       1.258778  -0.1483688     2.707651  
1 1 1 24  16 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  17 0  o 20.43105 1.407750  4.201964       0.5749060 4.285037       0.8048632 4.115427       0.8214709 0.4176311      2.815500  
1 1 1 24  17 1  o 70.26337 1.289323  49.57175       1.810743  51.34046       2.616569  47.94625       2.508407  2.399765       2.578645  
1 1 1 24  17 2  o 13.03811 1.921915  1.696823       0.5168460 0.6593238      0.6881760 3.039222       0.7827923 -8.647838      3.843829  
1 1 1 24  17 3  o 17.22994 1.616787  2.985016       0.5551304 2.647174       0.7639357 3.363019       0.8080677 -2.068966      3.233575  
1 1 1 24  17 4  o 10.76304 2.267661  1.192372       0.5333179 1.450136       0.7392173 0.9125577      0.7701862 1.945097       4.535322  
1 1 1 24  17 5  o 50.25411 1.140796  25.35793       1.146250  24.87422       1.597297  25.87151       1.645881  -0.9853439     2.281592  
1 1 1 24  17 6  o 29.39294 1.218182  8.644842       0.7142850 7.892910       0.9747194 9.516996       1.049752  -2.750984      2.436365  
1 1 1 24  17 7  o 29.69945 1.200888  8.852454       0.7104212 8.700526       0.9587045 9.037480       1.057992  -0.5515079     2.401776  
1 1 1 24  17 8  o 59.91216 1.209952  36.00397       1.446980  34.71827       1.973236  37.49957       2.128217  -2.295826      2.419904  
1 1 1 24  17 9  o 26.23961 1.305717  6.935397       0.6757857 8.527034       0.9809550 5.497705       0.9323100 5.763885       2.611435  
1 1 1 24  17 10 o 50.57243 1.419326  25.86157       1.354836  26.03336       1.664571  25.52439       2.332026  0.6331177      2.838651  
1 1 1 24  17 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  17 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  17 13 o 34.49450 1.233233  11.97565       0.8507296 12.15531       1.203791  11.79640       1.202437  0.5199928      2.466467  
1 1 1 24  17 14 o 31.81590 1.234884  10.13687       0.7830312 9.563056       1.054863  10.84109       1.168597  -1.986135      2.469768  
1 1 1 24  17 15 o 29.68436 1.308075  8.779129       0.7580471 11.77540       1.138926  6.396113       1.015705  9.033892       2.616151  
1 1 1 24  17 16 o 35.98701 1.194159  12.93812       0.8557667 11.91745       1.147225  14.21851       1.284920  -3.168133      2.388317  
1 1 1 24  17 17 o 29.82407 1.249241  8.949460       0.7408010 8.832428       0.9924574 9.096703       1.113212  -0.4164619     2.498481  
1 1 1 24  17 18 o 14.40433 2.145783  2.223635       0.6051443 2.610802       0.8119122 1.739746       0.9076800 3.247238       4.291566  
1 1 1 24  17 19 o 31.67412 1.331399  10.23967       0.8337732 11.51044       1.149860  8.830715       1.210763  4.245289       2.662799  
1 1 1 24  17 20 o 9.681206 2.454929  0.7748827      0.6071520 0.4860787      0.7981525 1.171519       0.9353642 -2.419003      4.909858  
1 1 1 24  17 21 o 38.29435 1.200186  14.78677       0.9182698 14.81147       1.270931  14.75980       1.328221  0.8139038E-01  2.400373  
1 1 1 24  17 22 o 20.42605 1.696616  4.223573       0.6768768 3.096971       0.9166915 5.574224       1.003713  -6.031897      3.393232  
1 1 1 24  17 23 o 28.28975 1.405162  8.110282       0.7927486 8.876872       1.127609  7.361100       1.114733  2.675034       2.810323  
1 1 1 24  17 24 o 45.90859 1.214243  21.26981       1.114388  21.09758       1.550349  21.45392       1.602930  -0.3736229     2.428487  
1 1 1 24  17 25 o 9.484758 2.451687  0.7216516      0.6203515 0.3630847      0.8509786 1.128306       0.9062461 -2.363290      4.903373  
1 1 1 24  17 26 o 58.55249 1.280613  34.68478       1.499617  34.68818       2.129024  34.68142       2.112629  0.4806519E-03  2.561227  
1 1 1 24  17 27 o 25.85809 2.219440  6.800291       1.147810  6.800291       1.147810  ?              ?         ?              ?         
1 1 1 24  17 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  18 0  f 32.47433 1.126978  10.56052       0.7304260 10.13477       0.9946506 11.05886       1.076108  -1.411684      2.253956  
1 1 1 24  18 1  o 14.04505 1.958232  2.010918       0.5382307 1.560667       0.7241614 2.566626       0.8045096 -3.773828      3.916464  
1 1 1 24  18 2  o 28.87772 1.222721  8.375086       0.7056714 8.162566       0.9755159 8.608363       1.022049  -0.7646484     2.445441  
1 1 1 24  18 3  o 82.36458 1.437202  68.16379       2.361939  65.73420       3.211280  71.02719       3.486202  -3.161751      2.874403  
1 1 1 24  18 4  o 36.89762 1.145166  13.68507       0.8447909 13.84879       1.183879  13.51522       1.205853  0.4553604      2.290331  
1 1 1 24  18 5  o 30.71439 1.190090  9.337684       0.7248220 8.371496       0.9523569 10.66782       1.117422  -3.711626      2.380180  
1 1 1 24  18 6  f 64.43742 1.256339  41.77496       1.619026  42.29071       2.291528  41.26089       2.287775  0.7984390      2.512678  
1 1 1 24  18 7  o 20.56267 1.549969  4.093361       0.6233853 3.183928       0.7988243 5.509788       0.9969260 -5.613293      3.099937  
1 1 1 24  18 8  o 15.56361 2.026300  2.622362       0.5982121 3.268731       0.8066611 1.832496       0.8917184 4.850287       4.052600  
1 1 1 24  18 9  o 35.79306 1.206820  12.83391       0.8583884 12.43234       1.143221  13.35290       1.299659  -1.258423      2.413641  
1 1 1 24  18 10 o 37.59975 1.182684  14.21313       0.8873780 14.12605       1.213263  14.31330       1.301234  -0.2337379     2.365368  
1 1 1 24  18 11 o 44.14304 1.184947  19.59161       1.043228  19.44966       1.420891  19.75763       1.536585  -0.3280792     2.369895  
1 1 1 24  18 12 o 21.22876 2.163217  4.554656       0.9184486 4.554656       0.9184486 ?              ?         ?              ?         
1 1 1 24  18 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  18 14 o 32.42516 2.992395  0.000000       0.000000  ?              ?         10.74804       1.940577  ?              ?         
1 1 1 24  18 15 f 16.06665 2.043630  2.675342       0.6396189 2.270717       0.8841929 3.119515       0.9263979 -2.886626      4.087260  
1 1 1 24  18 16 o 28.60934 1.342683  8.304422       0.7623586 9.442802       1.075331  7.154079       1.080967  4.001299       2.685367  
1 1 1 24  18 17 o 24.11822 1.487579  6.014886       0.6940252 7.718451       0.9790855 4.294413       0.9839321 7.099749       2.975157  
1 1 1 24  18 18 o 54.61261 1.230802  29.95620       1.341583  32.11393       1.974569  28.10606       1.828418  3.634003       2.461604  
1 1 1 24  18 19 o 76.77967 1.415648  59.51164       2.171550  61.97890       3.161497  57.30787       2.987919  2.992630       2.831295  
1 1 1 24  18 20 o 27.66996 1.419109  7.845792       0.7753366 8.771710       1.062015  6.789055       1.134560  3.604538       2.838217  
1 1 1 24  18 21 o 33.40161 1.304662  11.29507       0.8664103 12.87313       1.238681  9.783448       1.212323  4.617439       2.609324  
1 1 1 24  18 22 o 35.41813 1.289379  12.67337       0.9131160 12.58593       1.275223  12.76537       1.308086  -0.2439117     2.578758  
1 1 1 24  18 23 f 29.16510 1.391018  8.577504       0.8089563 7.712791       1.107955  9.564806       1.183890  -3.150551      2.782036  
1 1 1 24  18 24 o 19.88344 1.890728  4.088679       0.7446182 4.455661       1.018540  3.667377       1.091321  2.016174       3.781457  
1 1 1 24  18 25 o 31.39491 1.361985  9.982420       0.8551021 9.850998       1.198990  10.11846       1.219874  -0.4189339     2.723971  
1 1 1 24  18 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  19 0  o 63.83729 1.247587  40.87961       1.590611  43.29428       2.324395  38.75302       2.181341  3.533012       2.495174  
1 1 1 24  19 1  o 56.32449 1.195178  31.88017       1.345953  32.92854       1.927890  30.88331       1.879947  1.807831       2.390357  
1 1 1 24  19 2  o 43.09724 1.144152  18.52256       0.9823309 16.91276       1.321831  20.50836       1.468105  -4.148743      2.288304  
1 1 1 24  19 3  o 22.43165 1.404016  5.071796       0.6278502 5.090164       0.8551722 5.050318       0.9247302 0.1021843      2.808031  
1 1 1 24  19 4  o 51.16638 1.167091  25.93944       1.183239  23.66116       1.549840  29.12296       1.832047  -5.291267      2.334183  
1 1 1 24  19 5  o 59.95110 1.233470  36.16472       1.478780  36.86170       2.093798  35.47104       2.088832  1.158951       2.466940  
1 1 1 24  19 6  o 40.55361 1.194434  16.54892       0.9673443 17.70705       1.376130  15.41765       1.360074  2.819893       2.388867  
1 1 1 24  19 7  o 25.56577 1.391937  6.499212       0.7062427 5.884215       0.9309485 7.333021       1.083984  -2.802237      2.783873  
1 1 1 24  19 8  o 37.29439 1.217815  14.03235       0.9059538 14.83461       1.262738  13.18137       1.300522  2.223339       2.435629  
1 1 1 24  19 9  o 13.98763 2.235435  1.985521       0.6059824 1.529134       0.7785521 2.686953       0.9651917 -3.941995      4.470870  
1 1 1 24  19 10 o 33.06910 1.259896  10.97130       0.8287494 10.60051       1.107844  11.44247       1.248839  -1.243477      2.519793  
1 1 1 24  19 11 o 34.14424 1.263389  11.80675       0.8578777 12.45767       1.174354  11.06191       1.256224  2.061817       2.526778  
1 1 1 24  19 12 o 26.06086 1.419558  6.581357       0.7247156 5.360114       0.9230081 8.544476       1.170248  -6.047628      2.839116  
1 1 1 24  19 13 o 40.05987 1.255675  16.23751       0.9970734 18.92245       1.421729  13.63884       1.398702  6.589588       2.511350  
1 1 1 24  19 14 o 17.71500 4.300828  3.410113       1.510647  3.410113       1.510647  ?              ?         ?              ?         
1 1 1 24  19 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  19 16 o 10.54194 3.618966  0.000000       0.000000  ?              ?         1.066796       0.9218056 ?              ?         
1 1 1 24  19 17 o 43.50648 1.248651  19.08867       1.082993  21.19936       1.554745  17.09924       1.509426  4.700794       2.497302  
1 1 1 24  19 18 o 50.39922 1.246649  25.64544       1.256109  26.36003       1.771571  24.92298       1.781282  1.428219       2.493299  
1 1 1 24  19 19 o 12.07795 2.308450  1.322809       0.6555014 0.2190553      0.8704504 2.768725       0.9962758 -8.085805      4.616901  
1 1 1 24  19 20 o 27.78254 1.462620  7.847585       0.8088025 8.140651       1.104454  7.508665       1.187718  1.164167       2.925241  
1 1 1 24  19 21 f 16.48177 2.235308  2.960853       0.7087255 3.931571       0.9840369 1.914618       1.021596  6.295990       4.470616  
1 1 1 24  19 22 f 25.89007 1.560590  6.814619       0.8080494 6.854681       1.140582  6.774249       1.144939  0.1569748      3.121180  
1 1 1 24  19 23 o 31.91223 1.371451  10.32908       0.8745453 10.71366       1.228853  9.934387       1.244890  1.226507       2.742903  
1 1 1 24  19 24 o 36.20792 1.904029  13.27418       1.378819  13.27418       1.378819  ?              ?         ?              ?         
1 1 1 24  19 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  20 0  o 51.08773 1.190251  26.05250       1.211613  28.89707       1.806278  23.72565       1.633656  5.032215       2.380503  
1 1 1 24  20 1  o 12.18162 2.241675  1.571749       0.5497694 1.598139       0.7382112 1.538887       0.8237927 0.2094660      4.483350  
1 1 1 24  20 2  o 40.21676 1.176417  16.28246       0.9443200 17.53989       1.339496  15.04004       1.331481  3.106594       2.352835  
1 1 1 24  20 3  o 14.45020 2.101828  2.199317       0.5933389 2.429712       0.7974894 1.913655       0.8880057 2.062799       4.203657  
1 1 1 24  20 4  o 25.35107 1.379345  6.482450       0.6962711 6.528773       0.9434220 6.427034       1.031863  0.2186489      2.758689  
1 1 1 24  20 5  o 72.43319 1.354765  52.86547       1.962324  54.04343       2.799378  51.72744       2.751530  1.588867       2.709529  
1 1 1 24  20 6  o 14.28683 2.198155  2.184562       0.6091323 2.398831       0.8254972 1.928435       0.9025351 1.661479       4.396310  
1 1 1 24  20 7  o 29.02303 1.355979  8.539927       0.7829607 9.211228       1.084653  7.809556       1.131371  2.425261       2.711958  
1 1 1 24  20 8  o 36.68422 1.234452  13.55019       0.9030626 13.46003       1.229247  13.65590       1.331068  -0.2452202     2.468905  
1 1 1 24  20 9  o 26.35629 1.466715  7.159567       0.7574885 8.289720       1.034731  5.854486       1.111931  4.639391       2.933430  
1 1 1 24  20 10 o 13.68630 2.318163  2.063807       0.6342935 2.530866       0.8421477 1.451490       0.9642531 3.678667       4.636325  
1 1 1 24  20 11 o 40.70095 1.225325  16.65647       0.9944384 16.27417       1.348422  17.11232       1.472444  -1.002670      2.450650  
1 1 1 24  20 12 o 27.37495 1.459280  7.656106       0.7852357 9.285814       1.112251  6.036672       1.108739  5.933601       2.918559  
1 1 1 24  20 13 o 32.09672 1.320239  10.30074       0.8417519 9.608529       1.114452  11.22014       1.284387  -2.467903      2.640477  
1 1 1 24  20 14 o 49.59201 1.252371  24.82408       1.241393  25.56471       1.745012  24.06522       1.766374  1.517120       2.504743  
1 1 1 24  20 15 o 18.74273 2.478090  4.269798       0.8240826 5.309590       1.016935  2.280930       1.406445  8.280561       4.956179  
1 1 1 24  20 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  20 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  20 18 o 13.60080 2.494830  1.988894       0.6843718 1.890854       0.9469636 2.096086       0.9901778 -0.6825686     4.989660  
1 1 1 24  20 19 o 18.58157 2.019669  3.507557       0.7467480 3.160551       0.9984367 3.948092       1.124973  -2.061014      4.039338  
1 1 1 24  20 20 o 29.72207 1.459602  8.981086       0.8651198 9.297117       1.192768  8.630290       1.256659  1.143942       2.919204  
1 1 1 24  20 21 o 27.96385 1.835815  8.031738       0.9633486 8.079604       1.177765  7.934978       1.674531  0.4845943      3.671629  
1 1 1 24  20 22 f 26.83757 2.073507  7.486057       1.097533  7.936391       1.465992  6.911752       1.655523  2.004303       4.147014  
1 1 1 24  20 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  21 0  o 19.62679 1.648174  3.938304       0.6391571 4.519160       0.8897646 3.319000       0.9187409 3.064554       3.296347  
1 1 1 24  21 1  o 14.14292 2.150948  2.101933       0.6179230 3.185748       0.8909667 1.097470       0.8577309 7.167687       4.301895  
1 1 1 24  21 2  o 40.25861 1.200923  16.03192       0.9574998 14.34901       1.251875  18.40419       1.486327  -4.991333      2.401845  
1 1 1 24  21 3  o 38.45519 1.236560  14.88518       0.9495686 14.73839       1.304185  15.05078       1.385266  -0.3895378     2.473119  
1 1 1 24  21 4  o 52.93442 1.225235  28.23583       1.296322  28.59039       1.808395  27.86107       1.859212  0.6995583      2.450470  
1 1 1 24  21 5  o 39.23672 1.222426  15.53499       0.9575776 16.13503       1.333045  14.89524       1.376435  1.589153       2.444851  
1 1 1 24  21 6  o 29.01761 1.352220  8.569081       0.7754350 10.01954       1.092700  7.097559       1.100604  5.036701       2.704440  
1 1 1 24  21 7  o 56.68399 1.250763  32.38496       1.417727  32.59719       1.990824  32.16658       2.019420  0.3861465      2.501526  
1 1 1 24  21 8  o 10.91465 2.383446  1.187490       0.6134108 1.778858       0.8439884 0.5253279      0.8930792 4.005262       4.766891  
1 1 1 24  21 9  o 56.77887 1.264079  32.43573       1.431901  31.60911       1.947452  33.40853       2.112648  -1.546749      2.528157  
1 1 1 24  21 10 o 30.58665 1.348858  9.396022       0.8206406 8.998179       1.095537  9.904664       1.238733  -1.445557      2.697717  
1 1 1 24  21 11 o 32.98743 1.368972  10.90008       0.8988965 10.03354       1.202015  11.99956       1.353972  -2.939280      2.737944  
1 1 1 24  21 12 o 9.636939 2.485086  0.7778178      0.6183754 0.6345808      0.8141352 0.9731340      0.9506878 -1.354954      4.970172  
1 1 1 24  21 13 f 39.13258 1.283085  15.45831       1.002318  15.45266       1.375981  15.46468       1.462999  0.7347107E-02  2.566170  
1 1 1 24  21 14 o 12.45335 2.585073  1.636471       0.6815357 1.548831       0.9077412 1.749704       1.031809  -0.7342758     5.170145  
1 1 1 24  21 15 o 15.19613 2.378796  2.427358       0.7014023 2.015846       0.9262719 2.980477       1.073882  -3.018831      4.757593  
1 1 1 24  21 16 o 27.26639 1.551340  7.578272       0.8413800 8.404848       1.183176  6.732662       1.196721  3.071003       3.102680  
1 1 1 24  21 17 o 24.38571 3.736141  6.214644       1.822169  6.214644       1.822169  ?              ?         ?              ?         
1 1 1 24  21 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  21 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  21 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  21 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  22 0  o 7.083308 2.145638  -0.1769987     0.5725280 0.3775691      0.8005177 -0.7576932     0.8191577 2.230276       4.291276  
1 1 1 24  22 1  o 27.45096 1.378024  7.627714       0.7525492 8.569731       1.068422  6.700214       1.060157  3.403198       2.756048  
1 1 1 24  22 2  f 25.94998 1.466470  6.875476       0.7513660 8.013532       1.053057  5.695251       1.072390  4.471758       2.932940  
1 1 1 24  22 3  o 14.60806 2.262280  2.303782       0.6432327 2.661031       0.8771031 1.888071       0.9461530 2.621508       4.524559  
1 1 1 24  22 4  o 39.55706 1.237756  15.76209       0.9781459 16.80451       1.398488  14.76374       1.368611  2.572983       2.475513  
1 1 1 24  22 5  o 10.58677 2.392654  0.9336333      0.6401460 0.9262913E-01  0.8714374 1.919379       0.9434513 -5.626846      4.785308  
1 1 1 24  22 6  f 55.56715 1.271685  31.14527       1.412612  31.44474       1.973434  30.83056       2.022955  0.5642281      2.543370  
1 1 1 24  22 7  o 10.28905 2.484357  0.8988074      0.6666130 1.611111       0.9356856 0.1646321      0.9499424 4.104986       4.968713  
1 1 1 24  22 8  o 34.39344 1.342968  11.91199       0.9219866 11.40188       1.256892  12.50622       1.356579  -1.579163      2.685936  
1 1 1 24  22 9  o 12.05058 2.405591  1.292045       0.6797598 0.2889418      0.8932194 2.672485       1.047838  -7.499125      4.811183  
1 1 1 24  22 10 o 49.65852 1.275585  24.79857       1.261448  23.96592       1.695561  25.83074       1.887797  -1.828018      2.551171  
1 1 1 24  22 11 o 7.753944 2.344316  -0.2662675     0.6653513 -0.8437940     0.8656973 0.5672302      1.039997  -3.398410      4.688633  
1 1 1 24  22 12 o 37.50184 1.332653  14.17664       0.9954491 13.74913       1.340065  14.70298       1.486914  -1.227970      2.665306  
1 1 1 24  22 13 o 45.78215 1.297410  21.19262       1.186844  21.51611       1.650868  20.84657       1.707466  0.7474136      2.594820  
1 1 1 24  22 14 o 18.94381 2.510103  3.894676       0.8970395 3.390120       1.437822  4.216227       1.147823  -2.668776      5.020205  
1 1 1 24  22 15 o 8.779213 4.101710  0.000000       0.000000  ?              ?         -1.481822      1.775695  ?              ?         
1 1 1 24  22 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  22 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  22 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  22 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  23 0  o 56.18924 1.282401  31.68299       1.436535  30.00634       1.939259  33.72177       2.138452  -3.260185      2.564801  
1 1 1 24  23 1  o 24.50077 1.576214  6.036283       0.7694730 5.430158       1.040934  6.766524       1.142549  -2.697905      3.152428  
1 1 1 24  23 2  o 29.37485 1.416032  8.726588       0.8309885 9.195588       1.175080  8.257403       1.175311  1.596981       2.832065  
1 1 1 24  23 3  o 40.52217 1.257913  16.53474       1.018472  15.97383       1.402903  17.15978       1.480938  -1.444504      2.515826  
1 1 1 24  23 4  o 16.16320 2.253700  2.765934       0.7020164 2.616621       0.9658747 2.933139       1.022113  -0.9472933     4.507401  
1 1 1 24  23 5  o 28.00880 1.518464  7.951077       0.8501266 8.162251       1.194106  7.734035       1.210585  0.7694054      3.036928  
1 1 1 24  23 6  o 9.075735 2.350961  0.3953894      0.6518743 1.363928       0.9015045 -0.6659890     0.9437229 4.782100       4.701922  
1 1 1 24  23 7  f 47.89454 1.275450  23.06414       1.217488  22.11122       1.642036  24.22764       1.814416  -2.164005      2.550901  
1 1 1 24  23 8  o 28.46251 1.498588  8.239713       0.8473527 8.465726       1.143913  7.964911       1.261352  0.9181385      2.997176  
1 1 1 24  23 9  o 18.36293 2.372498  3.518620       0.8383901 3.702374       1.319448  3.394194       1.085751  0.3884563      4.744997  
1 1 1 24  23 10 o 31.39586 1.720105  9.991693       1.060099  10.28446       1.677242  9.796931       1.367997  0.6594982      3.440209  
1 1 1 24  23 11 f 33.07824 3.455566  0.000000       0.000000  ?              ?         11.35339       2.286081  ?              ?         
1 1 1 24  23 12 o 11.23520 4.942768  0.000000       0.000000  ?              ?         -0.2455565     2.145344  ?              ?         
1 1 1 24  23 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  23 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  23 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  23 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  23 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  24 0  o 17.74491 4.905361  0.000000       0.000000  ?              ?         3.471697       1.797947  ?              ?         
1 1 1 24  24 1  o 31.00914 3.385096  0.000000       0.000000  ?              ?         9.927952       2.099378  ?              ?         
1 1 1 24  24 2  o 29.61684 3.578029  0.000000       0.000000  ?              ?         9.095312       2.119399  ?              ?         
1 1 1 24  24 3  o 28.80383 3.561521  0.000000       0.000000  ?              ?         8.611535       2.051709  ?              ?         
1 1 1 24  24 4  o 27.62427 3.801191  0.000000       0.000000  ?              ?         7.974828       2.100103  ?              ?         
1 1 1 24  24 5  o 33.09045 3.462641  0.000000       0.000000  ?              ?         11.36493       2.291607  ?              ?         
1 1 1 24  24 6  o 13.65722 5.220334  0.000000       0.000000  ?              ?         1.561581       1.992370  ?              ?         
1 1 1 24  24 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  24 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  24 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  24 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  24 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  24 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  24 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  24 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  25 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  26 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  26 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  26 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  26 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  26 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  26 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  26 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  27 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  27 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  27 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 24  27 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  0  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  0  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  0  2  o 41.14107 1.225092  16.98008       1.006062  16.98008       1.006062  16.98008       1.006062  -0.000000      0.000000  
1 1 1 25  0  3  o 38.34460 0.8366013 14.71735       0.6391439 14.18087       0.8734040 15.33585       0.9377996 -0.000000      0.000000  
1 1 1 25  0  4  o 11.90379 1.212231  1.470511       0.2773771 1.499682       0.3787762 1.436779       0.4073181 -0.000000      0.000000  
1 1 1 25  0  5  o 110.1047 1.698162  121.6478       3.734862  120.3118       5.221828  123.0470       5.344076  -0.000000      0.000000  
1 1 1 25  0  6  o 58.33682 1.023023  34.10210       1.191537  34.90718       1.713580  33.34841       1.657973  -0.000000      0.000000  
1 1 1 25  0  7  o 42.79420 0.8662885 18.36065       0.7397999 18.05433       1.028692  18.68880       1.064707  -0.000000      0.000000  
1 1 1 25  0  8  o 7.188164 1.875320  0.7076876      0.2638516 0.8895788      0.3637724 0.5057694      0.3832760 -0.000000      0.000000  
1 1 1 25  0  9  o 3.795243 1.674871  0.6943376E-01  0.2615156 0.2229556      0.3643297 -0.9373803E-01 0.3756056 -0.000000      0.000000  
1 1 1 25  0  10 o 38.24781 0.8429765 14.68081       0.6434376 14.84851       0.9139829 14.51603       0.9059862 -0.000000      0.000000  
1 1 1 25  0  11 f 12.34497 1.313105  1.634579       0.2993664 1.852072       0.4198078 1.409549       0.4270204 -0.000000      0.000000  
1 1 1 25  0  12 o 61.29950 1.059834  37.69077       1.297616  37.71279       1.838089  37.66889       1.832136  -0.000000      0.000000  
1 1 1 25  0  13 o 42.58254 0.8749161 18.19263       0.7436772 18.01027       1.043791  18.38063       1.059829  -0.000000      0.000000  
1 1 1 25  0  14 o 8.338032 1.945967  0.9033530      0.2978672 0.6827238      0.4196683 1.127335       0.4228454 -0.000000      0.000000  
1 1 1 25  0  15 o 66.67337 1.129523  44.60575       1.504232  44.69580       2.135027  44.51700       2.119665  -0.000000      0.000000  
1 1 1 25  0  16 o 36.98100 0.8595886 13.69241       0.6332686 12.84384       0.8684575 14.65591       0.9254069 -0.000000      0.000000  
1 1 1 25  0  17 f 38.01120 1.060394  14.31838       0.7517281 13.92861       0.9086384 15.16381       1.338210  -0.000000      0.000000  
1 1 1 25  0  18 o 34.17398 0.8422574 11.72969       0.5732194 10.86150       0.8011048 12.64054       0.8205542 -0.000000      0.000000  
1 1 1 25  0  19 o 36.78967 0.8461515 13.59166       0.6205217 13.64035       0.8986057 13.54729       0.8579085 -0.000000      0.000000  
1 1 1 25  0  20 o 8.950825 1.727191  1.067407       0.2919424 0.5349269      0.4471702 1.462972       0.3854162 -0.000000      0.000000  
1 1 1 25  0  21 o 34.76831 0.8455704 12.14724       0.5854030 12.14898       0.8537765 12.14570       0.8042144 -0.000000      0.000000  
1 1 1 25  0  22 o 41.56959 1.126813  17.62825       0.8818479 18.13065       1.091038  16.68160       1.497656  -0.000000      0.000000  
1 1 1 25  0  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  0  24 o 11.40989 1.890619  1.483642       0.3524569 1.530436       0.6214591 1.461453       0.4279371 -0.000000      0.000000  
1 1 1 25  0  25 o 25.96220 0.8785737 6.790282       0.4524573 6.888885       0.6696703 6.707465       0.6137260 -0.000000      0.000000  
1 1 1 25  0  26 o 11.05945 1.660146  1.397085       0.3178011 1.123267       0.4631782 1.640663       0.4368534 -0.000000      0.000000  
1 1 1 25  0  27 o 30.73354 0.8911495 9.514265       0.5429515 8.307650       0.7562420 10.79791       0.7800080 -0.000000      0.000000  
1 1 1 25  0  28 o 4.800792 1.956190  0.2076032      0.3060590 0.5361181      0.4873396 -0.6351870E-02 0.3932924 -0.000000      0.000000  
1 1 1 25  0  29 o 29.03428 0.8907092 8.466681       0.5133696 8.827905       0.7640057 8.169327       0.6931793 -0.000000      0.000000  
1 1 1 25  0  30 o 46.37245 0.9539545 21.62567       0.8824850 21.21393       1.263902  22.01734       1.232727  -0.000000      0.000000  
1 1 1 25  0  31 o 39.49230 0.9120839 15.69908       0.7178336 15.39625       1.035035  15.97973       0.9964064 -0.000000      0.000000  
1 1 1 25  0  32 o 22.08265 1.013095  4.947909       0.4394069 4.990914       0.6695715 4.915378       0.5823485 -0.000000      0.000000  
1 1 1 25  0  33 f 3.849430 1.694337  -0.9738812E-01 0.3091917 -0.7518186     0.4830099 0.3569594      0.4024560 -0.000000      0.000000  
1 1 1 25  0  34 o 3.461555 2.363629  -0.2322550     0.4836376 -0.2322550     0.4836376 -0.2322550     0.4836376 -0.000000      0.000000  
1 1 1 25  0  35 f 10.30211 3.307901  1.358765       0.5993252 1.358765       0.5993252 1.358765       0.5993252 -0.000000      0.000000  
1 1 1 25  1  0  o 30.83417 0.6134415 9.487105       0.3733202 9.359910       0.4882786 9.666080       0.5791969 -0.4937763     1.226883  
1 1 1 25  1  1  o 50.10596 0.6582426 25.11302       0.6595087 25.54616       0.9441771 24.70035       0.9216049 0.8432770      1.316485  
1 1 1 25  1  2  o 38.38977 0.7114998 15.06494       0.5266595 16.10465       0.6753989 13.45199       0.8412296 3.460884       1.423000  
1 1 1 25  1  3  o 27.46333 0.7780019 7.544476       0.4270895 7.682707       0.6164421 7.416869       0.5922740 0.4829884      1.556004  
1 1 1 25  1  4  o 14.13515 1.038203  2.035067       0.2798722 1.305724       0.3858963 2.844394       0.4065057 -5.441605      2.076406  
1 1 1 25  1  5  o 30.39888 0.5679468 9.237267       0.3451416 9.547802       0.4970934 8.948221       0.4795852 0.9856396      1.135894  
1 1 1 25  1  6  o 40.31842 0.5969226 16.26480       0.4813340 16.16725       0.6789474 16.36337       0.6824844 -0.2430992     1.193845  
1 1 1 25  1  7  o 37.15932 0.5845454 13.77436       0.4337505 14.63316       0.6349492 13.02293       0.5939344 2.165192       1.169091  
1 1 1 25  1  8  o 42.51541 0.6109987 18.08335       0.5194663 18.42672       0.7418300 17.75299       0.7276478 0.7917480      1.221997  
1 1 1 25  1  9  o 20.86228 0.6151419 4.317370       0.2539619 3.509111       0.3433748 5.293412       0.3773351 -4.274925      1.230284  
1 1 1 25  1  10 o 51.73098 0.6714829 26.78032       0.6946676 27.13875       0.9904206 26.43326       0.9745876 0.6811371      1.342966  
1 1 1 25  1  11 o 27.47895 0.5803011 7.488253       0.3173245 6.586143       0.4277085 8.592802       0.4732719 -3.649342      1.160602  
1 1 1 25  1  12 o 36.53764 0.5897289 13.36041       0.4309444 13.34550       0.6084728 13.37541       0.6104267 -0.4083252E-01 1.179458  
1 1 1 25  1  13 o 23.44753 0.6201349 5.434019       0.2864717 4.242768       0.3841501 6.926436       0.4299764 -5.720352      1.240270  
1 1 1 25  1  14 o 27.79517 0.5949008 7.733211       0.3306772 7.629415       0.4683327 7.836402       0.4669668 -0.3724155     1.189802  
1 1 1 25  1  15 o 19.94392 0.6598117 3.982347       0.2631617 4.051368       0.3728553 3.913833       0.3714822 0.3447151      1.319623  
1 1 1 25  1  16 o 58.83596 0.7318413 34.66880       0.8611172 34.49847       1.209865  34.84367       1.225901  -0.2921524     1.463683  
1 1 1 25  1  17 o 12.97724 0.8788912 1.674186       0.2229715 1.229792       0.3005340 2.218304       0.3325495 -3.805722      1.757782  
1 1 1 25  1  18 f 45.79153 0.6440311 20.98417       0.5895492 20.63008       0.8188972 21.36516       0.8494383 -0.8004532     1.288062  
1 1 1 25  1  19 o 69.13940 0.8210359 47.90424       1.135228  47.44846       1.593214  48.37431       1.617983  -0.6671448     1.642072  
1 1 1 25  1  20 o 39.00637 0.6073510 15.17930       0.4729102 16.19654       0.6951091 14.30272       0.6452613 2.423767       1.214702  
1 1 1 25  1  21 o 21.59878 0.8459752 4.829991       0.3330745 4.297372       0.5946198 5.073519       0.4020730 -1.817625      1.691950  
1 1 1 25  1  22 o 35.17742 0.7693598 12.52572       0.5338853 13.29912       0.7127771 11.53726       0.8058090 2.513924       1.538720  
1 1 1 25  1  23 o 18.39634 0.6980309 3.388451       0.2558326 3.807935       0.3684651 2.997996       0.3554875 2.200071       1.396062  
1 1 1 25  1  24 o 21.03970 0.8549762 4.281972       0.3512691 3.755870       0.4421907 5.181796       0.5783005 -3.371559      1.709952  
1 1 1 25  1  25 f 31.23897 0.7522576 9.769454       0.4620667 9.857347       0.7244060 9.709164       0.5999653 0.2226276      1.504515  
1 1 1 25  1  26 o 32.57648 0.6168256 10.61289       0.4014899 10.02687       0.5553171 11.25468       0.5811481 -1.881758      1.233651  
1 1 1 25  1  27 o 27.89932 0.6256221 7.781156       0.3486701 7.316283       0.4807720 8.296940       0.5064148 -1.754665      1.251244  
1 1 1 25  1  28 o 47.17764 0.6692593 22.30749       0.6314721 22.23015       0.8900841 22.38587       0.8960182 -0.1643181     1.338519  
1 1 1 25  1  29 o 14.26455 0.8562357 2.050225       0.2433549 2.213439       0.3401765 1.879143       0.3482781 1.173105       1.712471  
1 1 1 25  1  30 o 5.769820 1.439881  0.2661680      0.2159887 0.9958723E-01  0.2999063 0.4456713      0.3113218 -1.796108      2.879763  
1 1 1 25  1  31 o 14.37205 0.8980020 2.096128       0.2530558 2.604840       0.3613652 1.606607       0.3544838 3.471485       1.796004  
1 1 1 25  1  32 o 27.67020 0.6516393 7.670897       0.3600788 8.272957       0.5167483 7.102653       0.5020273 2.112621       1.303279  
1 1 1 25  1  33 o 25.60593 0.6720482 6.575931       0.3441595 6.509968       0.4853204 6.642657       0.4881217 -0.2586594     1.344096  
1 1 1 25  1  34 o 24.36186 0.9040993 5.824903       0.4008915 6.319313       0.7547818 5.630620       0.4731473 1.350134       1.808199  
1 1 1 25  1  35 o 16.64880 1.225151  2.813179       0.4012027 2.727890       0.6214402 2.874133       0.5253583 -0.4678230     2.450301  
1 1 1 25  2  0  o 47.27837 0.6373895 22.20615       0.6002619 24.16854       0.8996433 20.63152       0.8058735 3.737698       1.274779  
1 1 1 25  2  1  f 47.94297 0.6413429 22.90059       0.6134521 24.41734       0.9072018 21.62278       0.8326848 2.912041       1.282686  
1 1 1 25  2  2  o 23.80247 0.5743546 5.649228       0.2727294 6.248183       0.3975456 5.116711       0.3748496 2.376116       1.148709  
1 1 1 25  2  3  o 84.78568 0.9545693 71.26353       1.606468  77.70928       2.461440  66.48059       2.120313  6.604370       1.909139  
1 1 1 25  2  4  o 14.89396 0.8017698 2.256490       0.2314254 2.382714       0.2977742 2.063955       0.3677662 1.073106       1.603540  
1 1 1 25  2  5  o 26.20714 0.7573657 6.848816       0.3953009 6.013361       0.5427235 7.792878       0.5769223 -3.393658      1.514731  
1 1 1 25  2  6  o 69.97720 1.147717  49.04168       1.605432  50.03264       2.316241  48.12543       2.227221  1.356789       2.295435  
1 1 1 25  2  7  o 37.38511 0.7006938 14.17656       0.5047271 13.25804       0.8192433 14.73849       0.6407801 -1.987679      1.401388  
1 1 1 25  2  8  o 56.07288 0.7028985 31.44453       0.7878722 32.30807       1.136568  30.64572       1.093140  1.480247       1.405797  
1 1 1 25  2  9  o 47.73129 0.6432523 22.76212       0.6133785 22.00419       0.8434229 23.61300       0.8936507 -1.683010      1.286505  
1 1 1 25  2  10 f 38.00143 0.5902658 14.37928       0.4474994 15.69470       0.6598046 13.25876       0.6089675 3.202965       1.180532  
1 1 1 25  2  11 o 34.93687 0.5796385 12.20820       0.4048376 12.73018       0.5791426 11.70941       0.5661327 1.460312       1.159277  
1 1 1 25  2  12 o 19.28315 0.6438363 3.721537       0.2482260 3.707226       0.3464249 3.736638       0.3558543 -0.7577324E-01 1.287673  
1 1 1 25  2  13 o 21.81542 0.6228923 4.762374       0.2716677 4.723760       0.3783038 4.803492       0.3903728 -0.1821060     1.245785  
1 1 1 25  2  14 o 44.82629 0.6321675 19.90100       0.5632592 18.25047       0.7475363 22.06889       0.8567173 -4.252934      1.264335  
1 1 1 25  2  15 o 99.62960 1.100455  99.50688       2.191276  101.8067       3.169929  97.40211       3.032502  2.195755       2.200910  
1 1 1 25  2  16 o 44.29096 0.6314298 19.60195       0.5586756 18.88240       0.7676470 20.41224       0.8146167 -1.723957      1.262860  
1 1 1 25  2  17 o 64.11304 0.7767101 41.17284       0.9958594 41.68118       1.419739  40.68048       1.397246  0.7785683      1.553420  
1 1 1 25  2  18 o 38.26979 0.6058046 14.64562       0.4633076 14.25378       0.6397781 15.07771       0.6718282 -1.074295      1.211609  
1 1 1 25  2  19 o 54.41672 0.8758696 29.82240       0.8969477 29.28932       1.552064  30.08971       1.099062  -0.7819176     1.751739  
1 1 1 25  2  20 o 18.28101 1.109712  3.364233       0.4042078 3.707293       0.5725648 3.023389       0.5707118 1.870274       2.219424  
1 1 1 25  2  21 o 63.68466 0.8364499 40.66735       1.055372  40.68412       1.400124  40.64529       1.606012  0.5347061E-01  1.672900  
1 1 1 25  2  22 f 11.51513 0.9490198 1.331710       0.2180789 1.443174       0.3100458 1.222568       0.3068001 0.9574795      1.898040  
1 1 1 25  2  23 o 19.73897 0.6688119 3.906036       0.2629390 4.379078       0.3763391 3.454901       0.3675214 2.340155       1.337624  
1 1 1 25  2  24 o 75.61284 0.8825341 57.33978       1.334302  58.15464       1.912359  56.56677       1.862600  1.043549       1.765068  
1 1 1 25  2  25 f 27.48909 0.7524854 7.683348       0.3916116 7.925920       0.4857505 7.232944       0.6619037 1.281000       1.504971  
1 1 1 25  2  26 o 43.65640 0.8974362 19.14106       0.7831838 19.81632       1.106714  18.46366       1.108466  1.549480       1.794872  
1 1 1 25  2  27 o 35.53509 0.6180666 12.65019       0.4392385 12.50715       0.6175426 12.79664       0.6248764 -0.4065437     1.236133  
1 1 1 25  2  28 f 20.37990 0.6917587 4.139964       0.2805666 3.600174       0.3826202 4.767782       0.4126405 -2.860867      1.383517  
1 1 1 25  2  29 o 43.95711 0.6587431 19.36757       0.5791102 19.46252       0.8229762 19.27444       0.8150524 0.2129173      1.317486  
1 1 1 25  2  30 o 5.424893 1.458531  0.2025098      0.2195932 0.1370555      0.3014114 0.2765527      0.3205772 -0.7591100     2.917063  
1 1 1 25  2  31 o 18.33535 1.031496  3.369805       0.3737449 3.292921       0.4895460 3.477234       0.5786740 -0.4821491     2.062992  
1 1 1 25  2  32 o 53.55663 0.7241573 28.75311       0.7752917 29.55019       1.117954  28.01461       1.076100  1.426899       1.448315  
1 1 1 25  2  33 f 42.55794 0.8913569 18.24722       0.7387192 18.02931       1.184844  18.38578       0.9448415 -0.4686012     1.782714  
1 1 1 25  2  34 o 43.33018 0.7227374 18.85412       0.6221787 18.92486       0.8341997 18.76543       0.9340250 0.2021599      1.445475  
1 1 1 25  2  35 o 9.556660 1.357113  0.9576970      0.2503721 0.8430818      0.3504483 1.077189       0.3578262 -1.222421      2.714226  
1 1 1 25  3  0  o 56.63449 0.7069527 32.03477       0.7997954 33.35424       1.166624  30.86467       1.098601  2.195526       1.413905  
1 1 1 25  3  1  o 26.51810 0.5608432 7.022501       0.2971238 7.490977       0.4298749 6.593961       0.4111436 1.690788       1.121686  
1 1 1 25  3  2  o 58.74889 0.7221294 34.51688       0.8481179 35.35414       1.221650  33.73792       1.178361  1.373871       1.444259  
1 1 1 25  3  3  o 54.00708 0.6859615 29.17327       0.7406574 28.65693       1.030436  29.72517       1.065331  -0.9876938     1.371923  
1 1 1 25  3  4  o 102.9739 1.128137  106.2442       2.323344  106.6106       3.295458  105.8821       3.276037  0.3525314      2.256273  
1 1 1 25  3  5  f 48.44821 0.6451305 23.48818       0.6251023 23.57866       0.8834006 23.39743       0.8846572 0.1870804      1.290261  
1 1 1 25  3  6  o 66.43460 0.7899603 43.79186       1.042817  40.96294       1.382715  47.52335       1.588046  -4.927788      1.579921  
1 1 1 25  3  7  o 54.61914 0.9508578 29.70217       1.034671  31.88969       1.548835  27.93918       1.390440  3.606701       1.901716  
1 1 1 25  3  8  o 33.22684 0.7503134 10.89499       0.4950133 9.654834       0.6551884 12.54444       0.7556117 -4.343075      1.500627  
1 1 1 25  3  9  o 53.45248 0.8198696 28.62171       0.8358930 28.57011       1.412886  28.64950       1.036810  -0.9564590E-01 1.639739  
1 1 1 25  3  10 f 19.67766 0.6110587 3.878057       0.2402489 4.062512       0.3389914 3.691913       0.3405403 0.9417419      1.222117  
1 1 1 25  3  11 o 32.47748 0.5791951 10.43085       0.3737342 12.22743       0.5620042 9.006445       0.5004199 4.956070       1.158390  
1 1 1 25  3  12 o 70.31564 0.8251147 49.52076       1.160358  49.46241       1.637010  49.57969       1.645008  -0.8285522E-01 1.650229  
1 1 1 25  3  13 o 86.11012 0.9715276 74.21919       1.671518  76.48641       2.430194  72.18359       2.302722  2.487816       1.943055  
1 1 1 25  3  14 o 40.23858 0.6066128 16.19979       0.4879683 15.98294       0.6783111 16.43240       0.7025076 -0.5571480     1.213226  
1 1 1 25  3  15 o 23.69177 0.5980105 5.627861       0.2823453 6.217736       0.4013477 5.049891       0.3972766 2.464420       1.196021  
1 1 1 25  3  16 o 29.26799 0.5813004 8.548175       0.3397183 8.095159       0.4647301 9.068054       0.4978459 -1.660036      1.162601  
1 1 1 25  3  17 o 25.59832 0.5949812 6.543882       0.3039567 7.180612       0.4408681 5.967004       0.4196367 2.369131       1.189962  
1 1 1 25  3  18 o 26.61845 0.9454848 7.055318       0.5011029 8.056592       0.7417507 6.214688       0.6796477 3.453138       1.890970  
1 1 1 25  3  19 o 26.88586 0.7817345 7.146595       0.3784432 7.024300       0.4449445 7.466465       0.7195973 -0.7968750     1.563469  
1 1 1 25  3  20 o 33.37230 0.5982275 11.12820       0.3987585 11.95185       0.5777797 10.37905       0.5510302 2.354393       1.196455  
1 1 1 25  3  21 o 51.70567 0.6871549 26.76654       0.7102193 26.31056       0.9854184 27.25942       1.024526  -0.9139366     1.374310  
1 1 1 25  3  22 o 60.27521 0.7506815 36.18160       0.9012121 38.88797       1.351573  34.01509       1.209279  4.027496       1.501363  
1 1 1 25  3  23 o 20.70594 0.6576015 4.283832       0.2705261 3.639464       0.3723072 5.004585       0.3937567 -3.294413      1.315203  
1 1 1 25  3  24 o 26.40657 0.6128989 6.944134       0.3226651 7.740182       0.4758711 6.266691       0.4389916 2.786669       1.225798  
1 1 1 25  3  25 o 71.59242 0.8492996 51.41815       1.215945  51.78678       1.734297  51.06174       1.705281  0.5023880      1.698599  
1 1 1 25  3  26 o 51.60258 0.6935754 26.66442       0.7153831 27.48048       1.033669  25.91422       0.9910830 1.512455       1.387151  
1 1 1 25  3  27 o 13.91891 1.150671  2.031853       0.3070079 2.450518       0.4114435 1.505932       0.4611444 3.402896       2.301342  
1 1 1 25  3  28 o 18.17456 0.7674918 3.310846       0.2787793 3.372652       0.4032903 3.254285       0.3857982 0.3231888      1.534984  
1 1 1 25  3  29 o 25.82132 0.7902985 6.762526       0.3840573 6.910208       0.4722774 6.474184       0.6599143 0.8729038      1.580597  
1 1 1 25  3  30 o 24.77991 0.6527339 6.153335       0.3234214 6.057252       0.4515827 6.254522       0.4634208 -0.3964729     1.305468  
1 1 1 25  3  31 f 33.83323 0.6355709 11.45129       0.4295473 12.23973       0.6230548 10.73708       0.5930021 2.216393       1.271142  
1 1 1 25  3  32 o 36.18651 0.9530669 13.17833       0.6891038 12.93578       0.9909045 13.40550       0.9589602 -0.6558113     1.906134  
1 1 1 25  3  33 o 10.93286 1.130591  1.201912       0.2468376 1.133020       0.3383246 1.280319       0.3609335 -0.6675758     2.261181  
1 1 1 25  3  34 o 47.67464 0.6939527 22.79469       0.6614725 22.34770       0.9214758 23.26989       0.9501079 -0.9621811     1.387905  
1 1 1 25  3  35 o 25.15968 0.7841219 6.401289       0.3853581 6.573342       0.4981509 6.144898       0.6081058 0.8726673      1.568244  
1 1 1 25  4  0  o 35.29551 0.8740699 12.39308       0.6150624 11.39147       0.8319179 13.60063       0.9134466 -3.125847      1.748140  
1 1 1 25  4  1  o 104.6994 1.488651  110.0084       3.052690  109.8525       4.831326  110.1120       3.938509  -0.1936951     2.977302  
1 1 1 25  4  2  f 80.39047 0.9888177 64.82699       1.576378  63.89619       2.380668  65.55376       2.103621  -1.045647      1.977635  
1 1 1 25  4  3  o 59.47359 0.7913975 35.55067       0.9364054 33.70174       1.374805  37.15074       1.278940  -2.903744      1.582795  
1 1 1 25  4  4  o 64.81646 1.018327  41.90776       1.283200  42.81129       2.084973  41.35684       1.628065  1.096039       2.036654  
1 1 1 25  4  5  o 79.03246 1.298305  62.61938       2.051704  61.91705       2.865509  63.35818       2.938980  -0.9061584     2.596610  
1 1 1 25  4  6  o 25.96448 0.9280733 6.750025       0.4799283 7.604519       0.6901023 5.949664       0.6678852 3.185484       1.856147  
1 1 1 25  4  7  o 63.65124 0.8301095 40.70907       1.048710  41.81866       1.410215  39.33624       1.568595  1.958851       1.660219  
1 1 1 25  4  8  o 27.56659 0.5585012 7.581805       0.3070962 8.409941       0.4465013 6.838389       0.4230465 2.849545       1.117002  
1 1 1 25  4  9  o 73.72446 1.185639  54.43151       1.746472  52.96050       2.405769  56.07050       2.539416  -2.098099      2.371278  
1 1 1 25  4  10 o 70.35942 1.140383  49.63425       1.604676  50.07513       2.281030  49.20229       2.257855  0.6183395      2.280766  
1 1 1 25  4  11 o 79.26326 1.094366  63.19336       1.653943  62.33654       2.788903  63.65820       2.054154  -0.8968506     2.188731  
1 1 1 25  4  12 o 69.35645 0.8158047 48.05432       1.129701  50.26113       1.657731  46.14082       1.543641  2.962608       1.631609  
1 1 1 25  4  13 f 43.20385 0.6193145 18.68454       0.5351049 18.81127       0.7544476 18.55624       0.7590787 0.2954063      1.238629  
1 1 1 25  4  14 o 67.63898 0.8031614 45.72537       1.084893  47.69805       1.587915  43.99844       1.485719  2.727028       1.606323  
1 1 1 25  4  15 o 23.79367 0.5776176 5.648129       0.2743663 5.360746       0.3743956 5.981484       0.4032323 -1.302711      1.155235  
1 1 1 25  4  16 o 11.36985 1.633185  1.344820       0.3666852 0.7636722      0.5063426 1.985707       0.5317311 -5.368627      3.266369  
1 1 1 25  4  17 o 31.90992 0.8046580 9.913246       0.4866634 9.345588       0.5918553 11.09829       0.8551439 -2.723185      1.609316  
1 1 1 25  4  18 o 10.78228 0.9451326 1.163856       0.2025993 1.146990       0.2711768 1.185163       0.3047986 -0.1733236     1.890265  
1 1 1 25  4  19 o 34.93235 0.5970439 12.08381       0.4146758 10.97298       0.5514207 13.52971       0.6291091 -3.653816      1.194088  
1 1 1 25  4  20 o 39.76723 0.6169329 15.83648       0.4905343 15.83061       0.6855269 15.84264       0.7022146 -0.1378250E-01 1.233866  
1 1 1 25  4  21 o 32.35962 0.5968463 10.47931       0.3859402 10.33923       0.5333157 10.63333       0.5592083 -0.4523239     1.193693  
1 1 1 25  4  22 o 36.95375 0.6085703 13.65670       0.4493516 13.25936       0.6192437 14.09863       0.6530625 -1.132702      1.217141  
1 1 1 25  4  23 o 26.84014 0.6590458 7.282909       0.3495286 7.738628       0.4689181 6.713131       0.5243261 1.915670       1.318092  
1 1 1 25  4  24 o 57.39707 0.7295704 32.99374       0.8371112 32.22253       1.162267  33.82505       1.206690  -1.391109      1.459141  
1 1 1 25  4  25 f 20.87099 0.6532412 4.369649       0.2722049 4.666340       0.3850160 4.073144       0.3848958 1.421089       1.306482  
1 1 1 25  4  26 o 16.35008 0.7505398 2.656058       0.2437813 2.263966       0.3291267 3.132625       0.3628534 -2.651998      1.501080  
1 1 1 25  4  27 o 34.06332 0.6176856 11.62381       0.4207735 11.83366       0.5985262 11.41874       0.5916604 0.6082954      1.235371  
1 1 1 25  4  28 o 36.80736 0.8387679 13.43994       0.6124267 12.43253       0.8060122 14.81597       0.9420066 -3.216473      1.677536  
1 1 1 25  4  29 o 25.90409 0.7262956 6.674091       0.3684049 6.999228       0.5900755 6.466395       0.4716148 1.011425       1.452591  
1 1 1 25  4  30 o 41.83176 0.6560696 17.54177       0.5488589 17.28867       0.7721601 17.80023       0.7803113 -0.6103325     1.312139  
1 1 1 25  4  31 o 28.35672 0.9813253 8.093804       0.5549420 8.034322       0.8146752 8.145299       0.7579990 -0.2080345     1.962651  
1 1 1 25  4  32 o 8.177717 1.403547  0.7100663      0.2269727 0.7669194      0.3039268 0.6383764      0.3412876 0.7425432      2.807094  
1 1 1 25  4  33 o 30.62793 0.6424167 9.394743       0.3931158 9.145025       0.5413659 9.673307       0.5717795 -0.8576736     1.284833  
1 1 1 25  4  34 o 22.81408 0.6986174 5.217503       0.3185808 5.076500       0.4414184 5.370797       0.4602543 -0.6417332     1.397235  
1 1 1 25  4  35 o 28.67785 1.504333  8.468378       0.6948987 8.165315       1.519766  8.548488       0.7813619 -0.9329128     3.008665  
1 1 1 25  5  0  o 101.0904 1.108773  102.3796       2.241707  102.6899       3.178572  102.0725       3.161996  0.3044052      2.217547  
1 1 1 25  5  1  o 99.86765 1.098394  99.91811       2.193869  100.1010       3.108669  99.73660       3.096565  0.1817398      2.196788  
1 1 1 25  5  2  o 65.20000 0.7765109 42.52371       1.012056  41.77179       1.404634  43.33548       1.459466  -1.196823      1.553022  
1 1 1 25  5  3  o 89.30142 0.9964061 79.85245       1.779288  80.89073       2.545859  78.86103       2.487735  1.133194       1.992812  
1 1 1 25  5  4  o 24.56682 0.5436147 5.963668       0.2649937 7.127605       0.3982749 5.039094       0.3549680 4.249313       1.087229  
1 1 1 25  5  5  o 61.48509 0.7451494 37.76902       0.9152448 39.30451       1.334346  36.40476       1.257751  2.354572       1.490299  
1 1 1 25  5  6  o 38.56927 0.5845627 14.76401       0.4489775 13.55845       0.6020659 16.27436       0.6738873 -3.518024      1.169125  
1 1 1 25  5  7  o 18.91314 0.5649188 3.576009       0.2131787 3.533109       0.2907995 3.625847       0.3134314 -0.2442760     1.129838  
1 1 1 25  5  8  o 53.25289 0.6782804 28.26213       0.7203845 26.82470       0.9752095 29.98856       1.068761  -2.966145      1.356561  
1 1 1 25  5  9  o 42.11645 0.6027619 17.74753       0.5076471 18.18727       0.7230190 17.31998       0.7129301 1.029198       1.205524  
1 1 1 25  5  10 o 101.5337 1.117356  103.2486       2.266641  100.8185       3.121855  105.9578       3.296282  -2.515800      2.234712  
1 1 1 25  5  11 o 55.81934 0.9543653 31.08268       1.062491  33.10938       1.575992  29.39401       1.438573  3.317238       1.908731  
1 1 1 25  5  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  5  13 o 53.88176 0.6908829 29.06750       0.7445037 28.95879       1.048766  29.17794       1.057057  -0.2028351     1.381766  
1 1 1 25  5  14 o 24.95356 0.9957848 6.248677       0.4959005 6.769642       0.7054435 5.739748       0.6972466 2.062813       1.991570  
1 1 1 25  5  15 o 23.32682 1.026952  5.432018       0.4744424 6.568939       0.6969444 4.450127       0.6476861 4.536346       2.053904  
1 1 1 25  5  16 o 19.05925 0.6174842 3.651325       0.2341535 3.812119       0.3197772 3.465449       0.3438138 0.9110336      1.234968  
1 1 1 25  5  17 o 21.08715 0.6057351 4.430959       0.2545365 4.221402       0.3427880 4.688514       0.3800225 -1.105030      1.211470  
1 1 1 25  5  18 o 25.54385 0.5891336 6.547263       0.2995243 7.342168       0.4260001 5.770087       0.4212230 3.076887       1.178267  
1 1 1 25  5  19 o 33.11878 0.5912327 10.95940       0.3910834 11.79061       0.5665133 10.20264       0.5405506 2.395447       1.182465  
1 1 1 25  5  20 o 36.05874 0.5991632 12.89831       0.4298232 11.85779       0.5730599 14.23652       0.6498867 -3.292263      1.198326  
1 1 1 25  5  21 o 27.89107 0.5941621 7.794004       0.3312359 7.955009       0.4636393 7.626155       0.4733897 0.5903244      1.188324  
1 1 1 25  5  22 o 22.25134 0.6257805 4.857776       0.2755353 4.088502       0.3622672 5.913551       0.4243986 -4.095434      1.251561  
1 1 1 25  5  23 o 46.82033 0.6587561 21.94944       0.6166962 22.61696       0.8832281 21.31442       0.8614596 1.388897       1.317512  
1 1 1 25  5  24 o 15.62212 0.7664538 2.421296       0.2379150 2.232993       0.3152466 2.670463       0.3626332 -1.394499      1.532908  
1 1 1 25  5  25 o 24.71762 0.6172206 6.125293       0.3048888 6.274425       0.4263874 5.969265       0.4361336 0.6183243      1.234441  
1 1 1 25  5  26 o 26.80080 0.7228603 7.199968       0.3858111 7.218519       0.5730135 7.184584       0.5218121 0.5679131E-01  1.445721  
1 1 1 25  5  27 o 28.54443 0.6254050 8.112828       0.3558698 7.345460       0.4828085 9.025672       0.5265885 -2.938255      1.250810  
1 1 1 25  5  28 o 15.21659 0.8138242 2.299057       0.2462984 2.022454       0.3302129 2.645901       0.3697713 -2.042431      1.627648  
1 1 1 25  5  29 o 33.43441 1.313475  11.55763       0.7322891 10.79279       1.517001  11.79000       0.8361624 -1.660435      2.626950  
1 1 1 25  5  30 o 29.83385 0.8848499 8.981183       0.5183714 9.150453       0.6755759 8.738851       0.8083328 0.7152824      1.769700  
1 1 1 25  5  31 f 28.04113 0.6475972 7.879830       0.3627656 8.417885       0.5192416 7.366781       0.5070322 1.872478       1.295194  
1 1 1 25  5  32 o 25.51063 0.6663678 6.524466       0.3398497 6.452253       0.4728382 6.601636       0.4887992 -0.2903404     1.332736  
1 1 1 25  5  33 o 41.59542 0.6661407 17.33856       0.5538885 18.01978       0.7978091 16.70468       0.7695863 1.576134       1.332281  
1 1 1 25  5  34 o 22.82882 0.6995286 5.206088       0.3186707 4.863656       0.4336974 5.607907       0.4698017 -1.623905      1.399057  
1 1 1 25  5  35 o 46.86736 2.127774  0.000000       0.000000  ?              ?         22.32952       1.994463  ?              ?         
1 1 1 25  6  0  o 15.30344 0.5943934 2.347902       0.1791030 2.915380       0.2597350 1.833453       0.2473018 3.534521       1.188787  
1 1 1 25  6  1  f 61.45770 0.7430242 37.79239       0.9131564 38.43777       1.305054  37.17334       1.278162  1.027603       1.486048  
1 1 1 25  6  2  f 70.95482 0.8248741 50.35339       1.169851  51.69452       1.691127  49.12269       1.620003  1.808998       1.649748  
1 1 1 25  6  3  o 55.67513 0.6947507 30.85827       0.7711375 33.06346       1.148064  29.04554       1.040901  3.604012       1.389501  
1 1 1 25  6  4  o 53.21624 0.6776254 28.32309       0.7208228 27.78869       0.9997714 28.90161       1.040226  -1.043957      1.355251  
1 1 1 25  6  5  o 55.32846 0.6926311 30.63383       0.7663637 31.07432       1.093451  30.20857       1.074404  0.7814980      1.385262  
1 1 1 25  6  6  f 73.59621 0.8497530 54.23237       1.250578  53.76646       1.750415  54.71813       1.787331  -0.6443558     1.699506  
1 1 1 25  6  7  o 42.05959 0.5965044 17.67574       0.5011818 17.18256       0.6888726 18.23035       0.7305152 -1.243858      1.193009  
1 1 1 25  6  8  o 71.60616 0.8328995 51.28034       1.191810  52.89193       1.729354  49.82252       1.644773  2.138268       1.665799  
1 1 1 25  6  9  o 28.18103 0.5381756 7.950711       0.3031039 8.297660       0.4284777 7.603195       0.4288298 1.232162       1.076351  
1 1 1 25  6  10 f 84.57676 0.9542685 71.66400       1.613895  72.60655       2.308905  70.76353       2.256772  1.085510       1.908537  
1 1 1 25  6  11 o 74.30091 0.8596292 55.11382       1.274086  52.82897       1.727963  57.83587       1.886058  -3.357819      1.719258  
1 1 1 25  6  12 o 65.91856 1.637389  43.59987       2.158687  43.59987       2.158687  ?              ?         ?              ?         
1 1 1 25  6  13 f 34.26291 1.391989  11.77052       0.9538714 11.77052       0.9538714 ?              ?         ?              ?         
1 1 1 25  6  14 o 47.59763 0.8546263 22.68033       0.8128140 22.19377       1.121202  23.21930       1.180038  -1.072098      1.709253  
1 1 1 25  6  15 o 56.38849 0.7111846 31.83899       0.8019824 32.33701       1.142898  31.35588       1.125648  0.8686752      1.422369  
1 1 1 25  6  16 o 36.10802 0.9456060 13.06889       0.6825974 13.61006       0.9751981 12.54907       0.9557720 1.467163       1.891212  
1 1 1 25  6  17 o 55.39138 0.7071365 30.73142       0.7833592 31.08677       1.111372  30.38057       1.104336  0.6368904      1.414273  
1 1 1 25  6  18 o 46.70204 0.6476502 21.77970       0.6040093 23.04218       0.8842500 20.67537       0.8270159 2.529385       1.295300  
1 1 1 25  6  19 o 45.31602 0.6399497 20.52648       0.5794341 21.60600       0.8413840 19.55266       0.7991346 2.262051       1.279899  
1 1 1 25  6  20 o 28.87561 0.5844010 8.334894       0.3370238 8.100528       0.4621615 8.601078       0.4925342 -0.8643303     1.168802  
1 1 1 25  6  21 o 22.25152 0.6182558 4.974864       0.2717373 6.008070       0.3910200 4.009807       0.3779047 4.489061       1.236512  
1 1 1 25  6  22 o 27.57261 0.5946366 7.581700       0.3268993 7.232062       0.4417582 8.004905       0.4860152 -1.397631      1.189273  
1 1 1 25  6  23 o 61.02656 0.7613769 37.30695       0.9289091 38.26534       1.337114  36.41293       1.291429  1.512527       1.522754  
1 1 1 25  6  24 o 30.10543 0.7511100 9.003849       0.4493637 8.393368       0.5959638 9.808268       0.6841077 -2.339085      1.502220  
1 1 1 25  6  25 o 24.80581 0.6262540 6.174230       0.3102354 6.419230       0.4332255 5.916348       0.4444687 1.014870       1.252508  
1 1 1 25  6  26 o 54.42902 0.7153175 29.61719       0.7774330 28.24380       1.063297  31.19469       1.139575  -2.701130      1.430635  
1 1 1 25  6  27 o 37.47940 0.6263326 14.07604       0.4694594 13.87627       0.6635179 14.27629       0.6643145 -0.5335579     1.252665  
1 1 1 25  6  28 o 26.43257 1.032950  7.086546       0.5408492 6.065249       0.7739877 8.061130       0.7560793 -3.779018      2.065901  
1 1 1 25  6  29 o 16.02988 0.7892598 2.549413       0.2514297 2.322259       0.3334576 2.848723       0.3827721 -1.634228      1.578520  
1 1 1 25  6  30 o 33.88044 0.7516091 11.74746       0.4943554 12.63419       0.6420086 10.45592       0.7748184 3.236603       1.503218  
1 1 1 25  6  31 o 24.78114 0.7294306 6.174522       0.3579606 6.066266       0.5432761 6.257578       0.4758615 -0.3968906     1.458861  
1 1 1 25  6  32 o 21.95573 0.7031266 4.835241       0.3064343 5.659838       0.4428088 4.077431       0.4244979 3.600618       1.406253  
1 1 1 25  6  33 f 22.21110 0.7032065 4.921274       0.3114219 4.558363       0.4211078 5.359322       0.4626520 -1.795687      1.406413  
1 1 1 25  6  34 o 17.43859 0.8782991 3.031500       0.2980843 2.948832       0.3777201 3.167987       0.4853382 -0.6051979     1.756598  
1 1 1 25  7  0  o 100.8654 1.106721  101.9245       2.232400  101.2066       3.132295  102.6657       3.182485  -0.7201843     2.213443  
1 1 1 25  7  1  o 41.27798 0.5866369 16.92946       0.4825526 18.55503       0.7202074 15.60521       0.6500391 3.570751       1.173274  
1 1 1 25  7  2  o 55.73186 0.6934473 31.07889       0.7728489 31.52235       1.103494  30.65195       1.082748  0.7800217      1.386895  
1 1 1 25  7  3  o 23.32463 0.5037394 5.407460       0.2341878 4.881590       0.3175354 6.034641       0.3467761 -2.470816      1.007479  
1 1 1 25  7  4  o 96.76842 1.069734  93.78618       2.069407  95.74670       2.981211  91.96304       2.874851  1.947357       2.139468  
1 1 1 25  7  5  o 50.43475 0.6533489 25.44533       0.6587636 25.03219       0.9160942 25.88772       0.9479890 -0.8466873     1.306698  
1 1 1 25  7  6  o 27.87204 0.5181187 7.727772       0.2876457 8.781977       0.4234918 6.824871       0.3919246 3.509731       1.036237  
1 1 1 25  7  7  o 41.26494 0.5903594 17.03677       0.4871661 16.84402       0.6826149 17.23685       0.6954791 -0.4754486     1.180719  
1 1 1 25  7  8  o 38.21970 0.5677757 14.60867       0.4338365 15.18295       0.6214903 14.06287       0.6058823 1.464642       1.135551  
1 1 1 25  7  9  o 32.87576 0.7552611 10.22506       0.4228153 11.97527       0.8992599 9.728322       0.4790729 3.392088       1.510522  
1 1 1 25  7  10 o 44.74133 0.9704960 20.06146       0.8683572 19.95900       1.219182  20.16696       1.237099  -0.2309341     1.940992  
1 1 1 25  7  11 o 92.24095 1.275376  85.82606       2.214698  86.62014       2.715152  84.24737       3.828331  1.409813       2.550751  
1 1 1 25  7  12 o 85.07945 0.9594397 72.48927       1.631252  70.80310       2.252966  74.34729       2.364988  -2.072647      1.918879  
1 1 1 25  7  13 o 66.65419 0.7945500 44.48426       1.058843  45.43596       1.521869  43.59131       1.474133  1.379868       1.589100  
1 1 1 25  7  14 f 37.91401 0.6654819 14.53810       0.4932777 15.14118       0.6413631 13.66476       0.7718095 1.956085       1.330964  
1 1 1 25  7  15 o 45.19648 0.8156979 20.43031       0.7366009 21.37722       1.070983  19.58028       1.014715  1.982948       1.631396  
1 1 1 25  7  16 o 58.74497 0.8699313 34.16935       0.9688392 35.91774       1.679195  33.29690       1.186187  2.181927       1.739863  
1 1 1 25  7  17 o 49.60755 0.6645612 24.64715       0.6593067 24.96084       0.9326034 24.33374       0.9321976 0.6320190      1.329122  
1 1 1 25  7  18 o 45.14925 0.6374156 20.33183       0.5743669 21.78364       0.8459132 19.08997       0.7823592 2.977882       1.274831  
1 1 1 25  7  19 f 89.54809 1.259131  80.73898       2.110343  80.47802       3.703115  80.86449       2.568185  -0.4045258     2.518262  
1 1 1 25  7  20 o 28.54915 0.5822878 8.168045       0.3319282 8.739450       0.4706856 7.602759       0.4681592 1.990559       1.164576  
1 1 1 25  7  21 o 56.78780 0.7267995 32.31571       0.8254386 32.56765       1.173296  32.06883       1.161486  0.4379616      1.453599  
1 1 1 25  7  22 o 24.86085 0.7202579 6.206807       0.3562159 7.016558       0.5078143 5.422376       0.4998119 3.205368       1.440516  
1 1 1 25  7  23 o 26.82934 0.5976009 7.184161       0.3200288 6.812825       0.4361286 7.617373       0.4710661 -1.496124      1.195202  
1 1 1 25  7  24 o 23.59592 0.6159277 5.588120       0.2900958 5.802197       0.4030533 5.358022       0.4178621 0.9427719      1.231855  
1 1 1 25  7  25 o 32.48171 0.6078064 10.47517       0.3926382 9.713709       0.5225399 11.46263       0.5950479 -2.684385      1.215613  
1 1 1 25  7  26 o 23.42826 0.9588281 5.602686       0.3819410 5.345526       0.7748895 5.685212       0.4389684 -0.7798386     1.917656  
1 1 1 25  7  27 o 62.42053 0.9740906 38.99912       1.132818  38.71697       1.369859  39.60946       2.014754  -0.5976067     1.948181  
1 1 1 25  7  28 o 50.91275 0.6988339 25.99249       0.7115867 25.87287       1.005894  26.11232       1.006778  -0.2350349     1.397668  
1 1 1 25  7  29 o 60.82926 0.7708759 37.11931       0.9375920 37.82583       1.344883  36.45121       1.307805  1.123768       1.541752  
1 1 1 25  7  30 o 23.07122 0.6547476 5.347333       0.3015251 5.586414       0.4201377 5.093397       0.4329948 1.070330       1.309495  
1 1 1 25  7  31 o 17.24331 0.8681467 2.984480       0.2855867 2.976864       0.3540655 2.998662       0.4831381 -0.3798103E-01 1.736293  
1 1 1 25  7  32 o 8.404001 1.362139  0.7435625      0.2345491 1.022445       0.3271918 0.4487527      0.3364050 3.323129       2.724279  
1 1 1 25  7  33 o 39.08257 0.6550179 15.31728       0.5118994 14.90338       0.7190542 15.74260       0.7289165 -1.072056      1.310036  
1 1 1 25  7  34 o 34.26905 1.112970  11.36942       0.6875026 12.96149       1.329516  10.78831       0.8032318 3.023651       2.225940  
1 1 1 25  8  0  f 63.40360 1.135223  40.28659       1.439533  40.51290       2.039829  40.06207       2.031808  0.3549881      2.270447  
1 1 1 25  8  1  o 29.03139 0.9509624 8.435403       0.5512244 8.338921       0.7559360 8.544958       0.8055226 -0.3519211     1.901925  
1 1 1 25  8  2  o 38.10452 0.9346023 14.55151       0.7118240 15.01824       1.001820  14.07563       1.011593  1.237469       1.869205  
1 1 1 25  8  3  o 36.72711 0.9436731 13.47315       0.6915330 12.97746       0.9399882 14.05794       1.020974  -1.465675      1.887346  
1 1 1 25  8  4  o 79.02597 1.317668  62.63222       2.081562  61.64297       2.890022  63.69863       3.000640  -1.290375      2.635337  
1 1 1 25  8  5  o 42.48855 0.9706926 18.02098       0.8232778 19.56803       1.204177  16.66318       1.128121  3.413223       1.941385  
1 1 1 25  8  6  o 68.33568 1.192798  46.72180       1.627251  45.09797       2.221842  48.60057       2.389898  -2.548363      2.385596  
1 1 1 25  8  7  o 26.91150 0.9798787 7.255844       0.5268638 7.710013       0.7522191 6.818474       0.7381753 1.655373       1.959757  
1 1 1 25  8  8  o 18.14795 1.232460  3.290648       0.4426064 2.673983       0.6046513 4.002511       0.6496482 -3.655787      2.464920  
1 1 1 25  8  9  o 29.44682 0.9843197 8.706351       0.5786283 9.208763       0.8122289 8.188621       0.8245175 1.733198       1.968639  
1 1 1 25  8  10 f 52.28677 1.046212  27.41317       1.094020  27.74980       1.551776  27.08051       1.542621  0.6391792      2.092425  
1 1 1 25  8  11 o 35.27093 0.9734930 12.44129       0.6851469 13.69245       0.9939259 11.30846       0.9457560 3.375088       1.946986  
1 1 1 25  8  12 o 25.72852 1.046846  6.645956       0.5382053 6.826916       0.7526097 6.456555       0.7699612 0.7215977      2.093692  
1 1 1 25  8  13 o 20.83393 1.166638  4.360297       0.4858286 4.445887       0.6799734 4.271040       0.6943840 0.4213791      2.333275  
1 1 1 25  8  14 o 27.85458 0.5258467 7.750500       0.2925803 8.310148       0.4233802 7.238926       0.4047878 1.921831       1.051693  
1 1 1 25  8  15 o 38.56948 0.5886663 14.86228       0.4536276 15.69785       0.6587178 14.10859       0.6256142 2.058044       1.177333  
1 1 1 25  8  16 o 30.91063 0.6571795 9.570587       0.4061876 9.766527       0.5730818 9.372785       0.5758000 0.6371193      1.314359  
1 1 1 25  8  17 f 15.29731 0.6433747 2.307330       0.1952432 2.053954       0.2571447 2.652240       0.3000180 -1.952033      1.286749  
1 1 1 25  8  18 o 8.961126 0.8149177 0.8094926      0.1431709 0.8287981      0.1862210 0.7815861      0.2238927 0.2674837      1.629835  
1 1 1 25  8  19 f 72.46465 0.8554139 52.63057       1.239353  53.79117       1.780332  51.53930       1.726335  1.547485       1.710828  
1 1 1 25  8  20 f 20.93937 0.5865045 4.383127       0.2449397 4.295494       0.3327648 4.486751       0.3618548 -0.4542847     1.173009  
1 1 1 25  8  21 o 49.50845 0.6718137 24.55445       0.6651703 24.92527       0.9452342 24.19069       0.9362164 0.7409821      1.343627  
1 1 1 25  8  22 o 34.27802 1.030091  11.78209       0.7052416 12.67556       1.019356  10.96177       0.9767336 2.493195       2.060183  
1 1 1 25  8  23 o 20.11838 0.6175555 4.030831       0.2476300 3.773887       0.3337030 4.345717       0.3694175 -1.417496      1.235111  
1 1 1 25  8  24 o 24.46794 0.6016006 5.957720       0.2933069 5.540585       0.3946062 6.472692       0.4384460 -1.900118      1.203201  
1 1 1 25  8  25 o 46.82447 1.052237  22.04317       0.9853083 21.61572       1.384455  22.48190       1.402595  -0.9215546     2.104474  
1 1 1 25  8  26 o 52.65324 0.7078221 27.73466       0.7442427 26.74403       1.018797  28.86825       1.089826  -2.007927      1.415644  
1 1 1 25  8  27 f 7.205767 1.282528  0.5061321      0.1824902 0.3721327      0.2294353 0.7368993      0.3010896 -2.351363      2.565057  
1 1 1 25  8  28 o 15.12498 0.7657675 2.304919       0.2295382 2.373146       0.3073340 2.218852       0.3451852 0.5159349      1.531535  
1 1 1 25  8  29 o 10.95627 0.9740366 1.234850       0.2079627 1.368784       0.2751101 1.056276       0.3176664 1.435259       1.948073  
1 1 1 25  8  30 o 39.21562 0.6360473 15.38880       0.4983876 16.24291       0.7226409 14.61401       0.6882679 2.072006       1.272095  
1 1 1 25  8  31 f 15.76706 0.7894670 2.539204       0.2446628 2.875445       0.3327791 2.143635       0.3609457 2.325841       1.578934  
1 1 1 25  8  32 o 16.24251 0.8836731 2.627042       0.2795112 2.543743       0.3542263 2.764486       0.4550103 -0.6571083     1.767346  
1 1 1 25  8  33 o 7.370348 1.526449  0.5697395      0.2380954 0.6265566      0.3019049 0.4762632      0.3872412 0.6906676      3.052898  
1 1 1 25  9  0  o 31.65254 0.9650547 9.925279       0.6064141 11.79970       0.9078853 8.415378       0.8148385 5.340130       1.930109  
1 1 1 25  9  1  o 58.04813 1.091902  33.76097       1.267407  34.58176       1.812884  32.97628       1.772565  1.379856       2.183805  
1 1 1 25  9  2  o 52.54939 1.042440  27.59587       1.093196  26.56213       1.487824  28.80877       1.611612  -2.128578      2.084879  
1 1 1 25  9  3  o 55.65049 1.069577  31.03359       1.190216  30.73620       1.663830  31.34525       1.703305  -0.5442505     2.139154  
1 1 1 25  9  4  o 43.28385 0.9863304 18.64442       0.8506777 20.96062       1.259713  16.70272       1.153387  4.911167       1.972661  
1 1 1 25  9  5  o 68.25046 1.201391  46.70330       1.639360  46.02618       2.283214  47.42385       2.355277  -1.017494      2.402781  
1 1 1 25  9  6  f 19.33647 1.204215  3.745831       0.4643803 3.683995       0.6310173 3.818887       0.6858727 -0.3435726     2.408430  
1 1 1 25  9  7  o 11.48962 1.830013  1.390898       0.4123256 1.631100       0.5780010 1.142000       0.5883703 2.071806       3.660025  
1 1 1 25  9  8  o 64.77575 1.167655  42.09519       1.512671  42.51524       2.147523  41.68157       2.131052  0.6418610      2.335309  
1 1 1 25  9  9  o 84.37516 1.397378  71.41299       2.354722  69.21079       3.227772  73.91835       3.442775  -2.762650      2.794755  
1 1 1 25  9  10 f 31.90699 1.011223  10.21600       0.6448466 10.52189       0.9049836 9.900515       0.9190813 0.9750900      2.022447  
1 1 1 25  9  11 o 64.10849 1.165850  41.25190       1.494562  40.80764       2.090516  41.71637       2.137529  -0.7031326     2.331699  
1 1 1 25  9  12 o 32.56100 1.003406  10.62734       0.6525129 10.51641       0.8971040 10.75195       0.9508224 -0.3560486     2.006813  
1 1 1 25  9  13 f 18.22671 1.297532  3.336824       0.4725620 3.287219       0.6524879 3.391549       0.6853281 -0.2816086     2.595065  
1 1 1 25  9  14 o 25.32812 1.104483  6.447058       0.5581822 6.548934       0.7671790 6.332469       0.8136463 0.4331417      2.208966  
1 1 1 25  9  15 o 17.52145 1.379629  3.075045       0.4820416 2.905244       0.6518533 3.279957       0.7160845 -1.058720      2.759258  
1 1 1 25  9  16 o 28.37783 1.079015  8.079215       0.6100650 8.006013       0.8256996 8.167215       0.9053100 -0.2732182     2.158029  
1 1 1 25  9  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  9  18 f 18.23430 0.5622366 3.243162       0.2019618 2.596682       0.2642045 4.151955       0.3132525 -4.260962      1.124473  
1 1 1 25  9  19 o 32.36684 0.6146088 10.52521       0.3941762 10.23290       0.5950215 10.75381       0.5261996 -0.8105965     1.229218  
1 1 1 25  9  20 o 44.93538 0.6358287 20.21466       0.5712696 20.75684       0.8191104 19.70119       0.7971323 1.172600       1.271657  
1 1 1 25  9  21 o 36.68193 0.5934131 13.47693       0.4353063 13.65120       0.6142623 13.30113       0.6169788 0.4774094      1.186826  
1 1 1 25  9  22 o 23.86631 0.5692291 5.691622       0.2712697 5.490334       0.3710536 5.922725       0.3975859 -0.9034081     1.138458  
1 1 1 25  9  23 o 46.69753 1.061635  21.91372       0.9911479 21.13655       1.383205  22.73386       1.420946  -1.703278      2.123271  
1 1 1 25  9  24 o 15.28367 1.234923  2.273673       0.2501328 2.247582       0.2668353 2.462720       0.7182739 -0.6130867     2.469846  
1 1 1 25  9  25 o 52.77399 0.9211332 27.52850       0.8697637 26.99641       1.018098  28.96590       1.673345  -1.759285      1.842266  
1 1 1 25  9  26 o 30.45772 0.6021276 9.298498       0.3666538 9.492879       0.5154498 9.099402       0.5216594 0.6466618      1.204255  
1 1 1 25  9  27 o 36.32545 0.6171196 13.15320       0.4467100 12.44023       0.6012920 14.03141       0.6673452 -2.182011      1.234239  
1 1 1 25  9  28 o 13.58833 0.7852452 1.844986       0.2086492 1.813927       0.2672241 1.893493       0.3339572 -0.2813368     1.570490  
1 1 1 25  9  29 o 29.09736 0.6057496 8.486381       0.3524607 8.513509       0.4946044 8.458390       0.5023962 0.9575462E-01  1.211499  
1 1 1 25  9  30 o 31.59221 0.6132010 10.00130       0.3873432 10.33218       0.5532201 9.683106       0.5425091 1.025763       1.226402  
1 1 1 25  9  31 o 34.33669 0.6239067 11.80995       0.4282323 12.29824       0.6168085 11.35558       0.5950036 1.369305       1.247813  
1 1 1 25  9  32 o 32.61768 0.6270094 10.66718       0.4089814 10.90488       0.5811923 10.43402       0.5756221 0.7209358      1.254019  
1 1 1 25  9  33 o 13.13595 1.591602  0.000000       0.000000  ?              ?         1.741300       0.4181443 ?              ?         
1 1 1 25  10 0  o 32.86248 0.9911720 10.68129       0.6470724 9.284080       0.8631044 12.47446       0.9777848 -4.846153      1.982344  
1 1 1 25  10 1  o 52.98053 1.063024  27.97115       1.123152  30.56276       1.663991  25.80234       1.522215  4.482059       2.126049  
1 1 1 25  10 2  o 33.73342 0.9889241 11.35398       0.6654178 10.77621       0.9016957 12.04488       0.9860356 -1.874527      1.977848  
1 1 1 25  10 3  o 68.67201 1.212893  46.81389       1.654849  51.54048       2.523601  43.24812       2.191914  6.007973       2.425785  
1 1 1 25  10 4  o 26.07003 1.047721  6.814450       0.5460095 6.864666       0.7618401 6.761414       0.7829401 0.1997566      2.095443  
1 1 1 25  10 5  o 47.17916 1.023452  22.18963       0.9629707 24.47346       1.421286  20.25155       1.309290  4.464973       2.046904  
1 1 1 25  10 6  o 51.19533 1.047878  26.27673       1.072788  26.19203       1.503902  26.36448       1.530756  -0.1660614     2.095756  
1 1 1 25  10 7  o 60.20898 1.127917  36.26726       1.356320  38.35397       1.982063  34.42964       1.860002  3.246876       2.255834  
1 1 1 25  10 8  o 30.14202 1.028911  9.016936       0.6170728 8.057231       0.8260785 10.22848       0.9281595 -3.592014      2.057822  
1 1 1 25  10 9  f 42.00885 1.007336  17.70140       0.8460413 17.87336       1.184335  17.52220       1.209013  0.4204102      2.014672  
1 1 1 25  10 10 o 85.50940 1.420826  73.55038       2.429865  73.49142       3.429955  73.60981       3.442776  -0.6734467E-01 2.841651  
1 1 1 25  10 11 o 49.37621 1.049611  24.45820       1.036310  25.13815       1.472634  23.79116       1.458592  1.362453       2.099221  
1 1 1 25  10 12 o 37.43832 1.023751  14.06533       0.7653658 15.09191       1.090080  13.06721       1.074862  2.702358       2.047502  
1 1 1 25  10 13 o 66.83502 1.213135  44.87005       1.621373  45.85553       2.313267  43.91842       2.273195  1.443611       2.426271  
1 1 1 25  10 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  10 15 f 23.39139 1.204070  5.487946       0.5626156 5.146721       0.7766426 5.864763       0.8161433 -1.528839      2.408141  
1 1 1 25  10 16 o 26.09721 1.130319  6.850214       0.5889397 7.326014       0.8339290 6.376787       0.8318477 1.818325       2.260639  
1 1 1 25  10 17 o 48.73653 1.061146  23.85532       1.034293  24.12466       1.464494  23.58729       1.460934  0.5507927      2.122292  
1 1 1 25  10 18 o 38.04411 1.041417  14.54429       0.7918875 15.02481       1.114327  14.05404       1.125553  1.277473       2.082834  
1 1 1 25  10 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  10 20 f 64.61189 2.470373  0.000000       0.000000  ?              ?         42.28032       3.192309  ?              ?         
1 1 1 25  10 21 o 14.09422 1.811773  2.090469       0.4897320 2.753783       0.6970878 1.444018       0.6881695 4.834544       3.623546  
1 1 1 25  10 22 o 15.25827 1.264683  2.240316       0.2248961 2.216677       0.2357024 2.480530       0.7513562 -0.7623997     2.529365  
1 1 1 25  10 23 o 15.31461 0.5785695 2.316441       0.1759485 2.016202       0.2338948 2.707817       0.2670451 -2.254644      1.157139  
1 1 1 25  10 24 o 7.023618 0.9876415 0.5708375      0.1352238 0.8291568      0.1784319 0.2223034      0.2072605 4.142252       1.975283  
1 1 1 25  10 25 o 26.47832 0.5731979 7.028914       0.3032945 7.298160       0.4266520 6.753857       0.4312311 1.028328       1.146396  
1 1 1 25  10 26 o 20.08258 0.6016680 4.048837       0.2411329 4.187111       0.3338926 3.898104       0.3486102 0.7213078      1.203336  
1 1 1 25  10 27 o 15.92771 0.7302644 2.522183       0.2303408 2.702155       0.3560550 2.392653       0.3020651 0.9632282      1.460529  
1 1 1 25  10 28 o 29.26055 0.6071057 8.591289       0.3544336 9.323179       0.5032026 7.870679       0.4993097 2.481487       1.214211  
1 1 1 25  10 29 o 8.330153 1.113752  0.7025850      0.1759893 0.6169142      0.2256961 0.8354782      0.2810988 -1.269994      2.227503  
1 1 1 25  10 30 o 27.24497 0.6118485 7.439213       0.3330939 7.885242       0.4759575 7.011062       0.4663223 1.602880       1.223697  
1 1 1 25  10 31 o 55.62397 0.7340438 31.04171       0.8162695 31.61003       1.174996  30.51160       1.134811  0.9799767      1.468088  
1 1 1 25  10 32 o 12.41521 4.321883  1.520114       1.318584  1.520114       1.318584  ?              ?         ?              ?         
1 1 1 25  11 0  o 72.57715 1.265315  52.59904       1.831262  56.03626       2.720350  49.75066       2.476396  4.308006       2.530630  
1 1 1 25  11 1  o 25.74962 1.085228  6.621730       0.5576355 6.060255       0.7642612 7.260948       0.8154573 -2.327295      2.170455  
1 1 1 25  11 2  o 63.99745 1.171749  40.99133       1.497988  43.01227       2.184332  39.19699       2.058235  2.969131       2.343498  
1 1 1 25  11 3  o 22.49743 1.176169  5.089646       0.5271320 5.233401       0.7204575 4.924029       0.7732989 0.6926517      2.352338  
1 1 1 25  11 4  o 51.65910 1.062602  26.44905       1.091263  29.82469       1.656062  23.85838       1.450789  5.756344       2.125204  
1 1 1 25  11 5  o 41.35144 1.023361  17.01208       0.8421776 15.88378       1.124865  18.45124       1.270410  -3.091499      2.046721  
1 1 1 25  11 6  o 16.70047 1.463162  2.775479       0.4857951 2.407678       0.6530209 3.231268       0.7269457 -2.455959      2.926324  
1 1 1 25  11 7  o 48.66506 1.046126  23.69860       1.016789  22.73873       1.393828  24.79043       1.486562  -2.098633      2.092252  
1 1 1 25  11 8  o 31.05651 1.039532  9.592873       0.6415609 11.26839       0.9527601 8.202885       0.8677894 4.926401       2.079063  
1 1 1 25  11 9  o 25.50663 1.143294  6.425378       0.5777067 5.373721       0.7674156 7.800812       0.8776336 -4.744637      2.286588  
1 1 1 25  11 10 f 11.43753 2.448993  1.356694       0.5682212 1.446338       0.6560314 1.087454       1.136930  0.5717669      4.897986  
1 1 1 25  11 11 o 55.36018 2.223737  0.000000       0.000000  ?              ?         30.88470       2.462130  ?              ?         
1 1 1 25  11 12 o 36.25015 1.043735  13.19246       0.7551673 13.26438       1.036965  13.11124       1.101929  0.2190971      2.087470  
1 1 1 25  11 13 o 16.22871 1.509172  2.688867       0.4831782 3.071423       0.6672262 2.267046       0.7006313 2.484295       3.018344  
1 1 1 25  11 14 o 10.21988 2.158436  1.079862       0.4737117 1.151143       0.6292280 0.9866080      0.7197111 0.5390644      4.316872  
1 1 1 25  11 15 o 27.31617 1.156267  7.553145       0.6257966 8.664131       0.8802425 6.417759       0.8898559 4.113264       2.312534  
1 1 1 25  11 16 o 39.38896 1.054709  15.56616       0.8303967 15.14731       1.150634  16.02143       1.199613  -1.102570      2.109418  
1 1 1 25  11 17 o 26.85239 1.161062  7.197423       0.6205034 6.755301       0.8291589 7.760195       0.9354783 -1.853865      2.322124  
1 1 1 25  11 18 o 17.74834 1.464701  3.137049       0.5148532 2.903541       0.6737190 3.464854       0.7982414 -1.554697      2.929402  
1 1 1 25  11 19 o 64.57042 1.210144  41.94843       1.562734  41.87004       2.199943  42.02827       2.220278  -0.1188736     2.420287  
1 1 1 25  11 20 o 16.72762 3.584455  2.984567       1.164497  2.984567       1.164497  ?              ?         ?              ?         
1 1 1 25  11 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  11 22 o 12.46555 2.167071  1.654240       0.5371136 1.751210       0.7504467 1.552395       0.7690827 0.7566404      4.334142  
1 1 1 25  11 23 o 34.34853 1.103406  11.86627       0.7574046 11.76617       1.048467  11.97553       1.095333  -0.2955437     2.206811  
1 1 1 25  11 24 o 17.04712 1.601133  2.973645       0.5384511 3.511449       0.7588334 2.428258       0.7641644 3.178634       3.202267  
1 1 1 25  11 25 o 20.11539 0.5383073 4.030111       0.2159259 3.663686       0.2936124 4.461703       0.3186530 -1.980921      1.076615  
1 1 1 25  11 26 f 25.47664 0.5601239 6.490732       0.2850861 6.259525       0.3920507 6.750172       0.4152982 -0.9602356     1.120248  
1 1 1 25  11 27 o 48.18902 0.6787746 23.21383       0.6530170 24.58248       0.9591692 22.03137       0.8915454 2.636723       1.357549  
1 1 1 25  11 28 f 27.31074 0.5884563 7.475970       0.3212934 7.747143       0.4556373 7.207774       0.4531279 0.9871407      1.176913  
1 1 1 25  11 29 o 42.59942 0.6517937 18.00385       0.5523245 20.33839       0.8336704 16.17749       0.7373737 4.868973       1.303587  
1 1 1 25  11 30 o 35.03156 1.162404  12.39278       0.8142626 12.56549       1.146150  12.21679       1.157009  0.5008888      2.324807  
1 1 1 25  11 31 o 26.41806 1.629127  7.123434       0.7999555 7.152453       0.9688778 7.061282       1.417908  0.3478336      3.258254  
1 1 1 25  12 0  o 38.28311 1.023227  14.66325       0.7826667 14.03994       1.078245  15.35740       1.137876  -1.715706      2.046454  
1 1 1 25  12 1  o 39.48002 1.019591  15.55676       0.8031115 14.65817       1.090337  16.62248       1.187403  -2.479488      2.039183  
1 1 1 25  12 2  o 45.22582 1.039075  20.49810       0.9395585 21.24232       1.342879  19.78443       1.315031  1.609325       2.078151  
1 1 1 25  12 3  o 35.11661 1.050137  12.33772       0.7355424 13.68325       1.065856  11.11430       1.016338  3.653183       2.100275  
1 1 1 25  12 4  o 53.00275 1.097210  28.16215       1.162035  27.77731       1.604708  28.58644       1.684959  -0.7552452     2.194420  
1 1 1 25  12 5  o 51.48939 1.113060  26.47109       1.142820  29.46470       1.678394  23.88349       1.560430  5.407127       2.226120  
1 1 1 25  12 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  12 7  o 37.25406 1.060865  13.92499       0.7902932 14.26557       1.120506  13.58788       1.114802  0.9089165      2.121731  
1 1 1 25  12 8  o 34.62151 1.045351  11.93948       0.7212347 10.89529       0.9732100 13.21165       1.074213  -3.334129      2.090703  
1 1 1 25  12 9  o 36.25918 1.053725  13.19834       0.7635677 13.37368       1.063667  13.01191       1.096790  0.5026665      2.107450  
1 1 1 25  12 10 o 48.69042 1.066404  23.79631       1.038369  23.98297       1.461919  23.60628       1.475121  0.3884239      2.132808  
1 1 1 25  12 11 o 12.99397 1.884572  1.789770       0.4799967 2.295024       0.6652051 1.240933       0.6933021 4.188043       3.769144  
1 1 1 25  12 12 o 22.14308 1.277472  4.995901       0.5575618 5.801200       0.7748055 4.130988       0.8029715 3.775808       2.554943  
1 1 1 25  12 13 o 33.62206 1.076666  11.37919       0.7221671 11.87481       1.001294  10.84187       1.042553  1.541859       2.153333  
1 1 1 25  12 14 o 50.44940 1.089163  25.30069       1.091760  23.35088       1.446386  27.88271       1.664440  -4.459484      2.178325  
1 1 1 25  12 15 o 22.04816 1.274631  4.873555       0.5605992 4.653703       0.7601569 5.135703       0.8300614 -1.080894      2.549263  
1 1 1 25  12 16 o 10.35265 2.127859  0.9938917      0.4930657 0.4690633      0.6450942 1.731284       0.7646520 -4.872932      4.255718  
1 1 1 25  12 17 f 9.182270 2.179888  0.7872982      0.4927436 1.119492       0.6679026 0.3905634      0.7299075 2.398975       4.359775  
1 1 1 25  12 18 o 46.11404 1.091659  21.37604       1.005936  21.47472       1.395567  21.26933       1.451286  0.2317657      2.183317  
1 1 1 25  12 19 o 19.79962 1.452601  3.927918       0.5729918 3.597689       0.7709533 4.335438       0.8564368 -1.843025      2.905202  
1 1 1 25  12 20 o 55.56239 1.150862  31.07196       1.278803  31.03814       1.797389  31.10663       1.819819  -0.5715942E-01 2.301724  
1 1 1 25  12 21 f 35.19080 1.613494  12.46429       1.135603  12.46429       1.135603  ?              ?         ?              ?         
1 1 1 25  12 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  12 23 o 12.05379 2.421119  1.523506       0.6031994 1.624247       0.9450005 1.454239       0.7835969 0.6801281      4.842238  
1 1 1 25  12 24 o 25.87861 1.308363  6.768613       0.6764049 6.469203       0.9632512 7.059873       0.9500474 -1.144659      2.616726  
1 1 1 25  12 25 f 44.99090 1.122196  20.38713       1.009654  19.95302       1.419463  20.83167       1.436419  -0.9725647     2.244392  
1 1 1 25  12 26 o 73.93773 1.332956  55.16692       1.968545  53.10083       2.700875  57.50829       2.875179  -2.928551      2.665912  
1 1 1 25  12 27 o 13.27377 2.174940  1.865103       0.5715601 1.405284       0.7812391 2.394671       0.8384010 -3.541873      4.349879  
1 1 1 25  12 28 o 41.02427 0.6253225 16.86791       0.5129666 16.60945       0.7167763 17.13927       0.7344348 -0.6431580     1.250645  
1 1 1 25  12 29 o 46.06577 1.146189  21.41638       1.055936  21.65591       1.503484  21.18321       1.483358  0.5072594      2.292378  
1 1 1 25  12 30 o 18.33222 1.739152  3.433373       0.6063294 2.493258       0.8140496 4.604801       0.9086947 -5.919981      3.478304  
1 1 1 25  12 31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  13 0  o 54.17814 1.633273  0.000000       0.000000  ?              ?         29.44988       1.769754  ?              ?         
1 1 1 25  13 1  f 33.26807 1.073229  11.06816       0.7120117 12.32690       1.035131  9.937792       0.9809269 3.585436       2.146459  
1 1 1 25  13 2  o 48.35069 1.071985  23.37914       1.034797  22.29332       1.413001  24.63507       1.519662  -2.410851      2.143971  
1 1 1 25  13 3  o 11.10978 2.087563  1.269944       0.4800881 0.9142414      0.6565774 1.678619       0.7037711 -3.055186      4.175127  
1 1 1 25  13 4  o 8.564661 2.037026  0.5738313      0.4675145 1.176950       0.6450195 -0.9369590E-01 0.6785876 4.112338       4.074053  
1 1 1 25  13 5  o 41.92634 1.066918  17.64655       0.8941642 18.09776       1.255881  17.18267       1.273379  1.093250       2.133836  
1 1 1 25  13 6  o 17.80209 1.548118  3.257720       0.5361251 4.069631       0.7521420 2.419136       0.7643974 4.637629       3.096236  
1 1 1 25  13 7  o 34.38165 1.063482  11.78462       0.7288474 10.86234       0.9839798 12.90575       1.084884  -2.960018      2.126963  
1 1 1 25  13 8  o 16.47174 1.559091  2.719428       0.5120736 2.460757       0.6973697 3.022091       0.7543442 -1.693909      3.118181  
1 1 1 25  13 9  o 35.45640 1.078134  12.62288       0.7628167 13.75322       1.089360  11.53538       1.068513  3.124920       2.156268  
1 1 1 25  13 10 o 26.46364 1.161197  7.050404       0.6126674 7.250783       0.8412809 6.824121       0.8940059 0.8135986      2.322394  
1 1 1 25  13 11 o 66.96462 1.231748  44.99406       1.647790  47.11262       2.401177  43.10831       2.265401  2.968521       2.463496  
1 1 1 25  13 12 o 42.81113 1.079683  18.40314       0.9229609 19.84871       1.320279  17.02151       1.290749  3.297718       2.159366  
1 1 1 25  13 13 o 30.52376 1.129385  9.409235       0.6858644 10.27316       0.9562050 8.493752       0.9843236 2.919077       2.258771  
1 1 1 25  13 14 o 64.94016 1.219130  42.41283       1.583203  42.18569       2.218672  42.64847       2.259870  -0.3493881     2.438259  
1 1 1 25  13 15 o 55.70993 1.142868  31.20337       1.272985  31.29639       1.779696  31.10590       1.821580  0.1778564      2.285736  
1 1 1 25  13 16 o 57.93481 1.167078  33.70877       1.351388  35.17519       1.952982  32.36159       1.871898  2.414391       2.334157  
1 1 1 25  13 17 o 28.06162 1.197690  7.760984       0.6651454 6.566109       0.8738217 9.407074       1.025624  -5.034458      2.395380  
1 1 1 25  13 18 o 41.59660 1.085466  17.41243       0.9020068 17.77533       1.254376  17.02385       1.298003  0.9110756      2.170932  
1 1 1 25  13 19 o 24.68287 1.303035  6.169288       0.6370460 6.347304       0.8514015 5.942859       0.9602211 0.8439484      2.606071  
1 1 1 25  13 20 f 37.52475 1.106114  14.13538       0.8291630 13.30556       1.143518  15.05539       1.204049  -2.319771      2.212228  
1 1 1 25  13 21 o 24.80650 1.325791  6.178651       0.6536641 7.218103       0.9582266 5.273956       0.8939576 3.903448       2.651581  
1 1 1 25  13 22 o 46.78555 1.150416  21.91220       1.071815  20.70905       1.437101  23.42035       1.608969  -2.860226      2.300833  
1 1 1 25  13 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  13 24 o 56.83764 1.695359  0.000000       0.000000  ?              ?         32.57579       1.927204  ?              ?         
1 1 1 25  13 25 o 52.36919 1.161221  27.65453       1.216105  27.35733       1.704233  27.96285       1.735870  -0.5699120     2.322441  
1 1 1 25  13 26 o 38.30460 1.144112  14.76326       0.8756058 15.63106       1.270135  13.97734       1.208733  2.143093       2.288224  
1 1 1 25  13 27 o 54.77101 1.182384  30.24292       1.294428  31.18109       1.870757  29.38121       1.792917  1.621700       2.364769  
1 1 1 25  13 28 o 17.29162 1.853606  3.125180       0.6184244 2.620209       0.8771496 3.624285       0.8720409 -3.136364      3.707212  
1 1 1 25  13 29 o 37.49673 1.189715  14.17019       0.8911401 13.26385       1.232511  15.16301       1.289977  -2.515728      2.379430  
1 1 1 25  13 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  14 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  14 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  14 2  o 9.680490 3.173641  0.000000       0.000000  ?              ?         0.9144959      0.7086501 ?              ?         
1 1 1 25  14 3  o 53.87791 1.123106  29.13126       1.209829  28.91554       1.687212  29.35955       1.735734  -0.4063263     2.246212  
1 1 1 25  14 4  f 47.56458 1.080801  22.68804       1.027590  22.25977       1.425046  23.15195       1.483160  -0.9311676     2.161602  
1 1 1 25  14 5  o 41.74053 1.067363  17.48640       0.8909432 17.71787       1.256713  17.25251       1.263281  0.5582237      2.134726  
1 1 1 25  14 6  f 26.68932 1.169188  7.153957       0.6240405 7.019664       0.8785158 7.290731       0.8865927 -0.5067425     2.338377  
1 1 1 25  14 7  o 26.12960 1.168235  6.849885       0.6100334 6.644541       0.8425809 7.076104       0.8843706 -0.8200588     2.336469  
1 1 1 25  14 8  f 21.07883 1.366268  4.462770       0.5753741 4.269365       0.7919364 4.679001       0.8373665 -0.9640942     2.732536  
1 1 1 25  14 9  o 9.839990 2.167150  0.9711141      0.4914918 1.308616       0.6654409 0.5659989      0.7290556 2.624031       4.334300  
1 1 1 25  14 10 o 53.47097 1.135184  28.71152       1.213616  29.60470       1.740444  27.86621       1.693157  1.618553       2.270367  
1 1 1 25  14 11 o 35.95990 1.097597  12.98456       0.7883587 13.92046       1.128652  12.09289       1.101653  2.537128       2.195194  
1 1 1 25  14 12 o 45.19636 1.087268  20.52371       0.9826179 20.72017       1.380248  20.32182       1.399209  0.4435081      2.174535  
1 1 1 25  14 13 o 26.35850 1.232637  6.980126       0.6489785 6.807369       0.8914027 7.174973       0.9466776 -0.6876774     2.465275  
1 1 1 25  14 14 o 22.68486 1.331939  5.186056       0.6020820 5.776925       0.8616364 4.622267       0.8416600 2.541130       2.663877  
1 1 1 25  14 15 o 40.84254 1.097248  16.77156       0.8959289 17.11680       1.258528  16.41682       1.275716  0.8597107      2.194497  
1 1 1 25  14 16 f 44.34068 1.113291  19.78810       0.9862757 20.38011       1.378367  19.16698       1.411844  1.373798       2.226582  
1 1 1 25  14 17 o 25.08378 1.276850  6.406697       0.6337891 7.157517       0.8737655 5.573048       0.9207017 3.168406       2.553699  
1 1 1 25  14 18 o 11.12041 2.276839  1.305652       0.5465962 1.590764       0.7398993 0.9631196      0.8109903 2.227899       4.553679  
1 1 1 25  14 19 o 52.01771 1.152025  27.18994       1.196948  26.35339       1.642688  28.13684       1.747666  -1.692924      2.304050  
1 1 1 25  14 20 o 9.417170 2.326860  0.8170578      0.5452160 0.9974922      0.7346155 0.5957868      0.8135099 1.125413       4.653720  
1 1 1 25  14 21 o 22.93481 1.448774  5.290984       0.6622359 4.727343       0.9029528 5.947061       0.9741843 -2.639360      2.897547  
1 1 1 25  14 22 o 14.12042 2.076267  2.126563       0.5670946 2.350549       0.7870935 1.884776       0.8177718 1.662097       4.152534  
1 1 1 25  14 23 o 20.76810 1.568892  4.355296       0.6478469 4.195470       0.8641120 4.560442       0.9789922 -0.8409863     3.137783  
1 1 1 25  14 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  14 25 o 12.43696 3.563528  0.000000       0.000000  ?              ?         1.650390       0.9322108 ?              ?         
1 1 1 25  14 26 o 34.75700 1.190209  12.19286       0.8273445 12.29429       1.174018  12.09280       1.166106  0.2876587      2.380417  
1 1 1 25  14 27 o 35.58511 1.223041  12.79343       0.8702794 13.13433       1.242214  12.46483       1.219619  0.9337692      2.446082  
1 1 1 25  14 28 o 10.91459 2.448217  1.223207       0.6043937 1.430202       0.8539406 1.015433       0.8555450 1.408381       4.896434  
1 1 1 25  14 29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  15 0  o 50.33217 1.101849  25.39358       1.108209  26.91975       1.596112  23.97304       1.539889  2.920731       2.203698  
1 1 1 25  15 1  f 34.13313 1.116699  11.72378       0.7602983 12.24951       1.053657  11.15269       1.098172  1.612007       2.233399  
1 1 1 25  15 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  15 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  15 4  f 14.31121 2.981021  0.000000       0.000000  ?              ?         2.153985       0.8251300 ?              ?         
1 1 1 25  15 5  o 21.90245 1.347256  4.868563       0.5835231 5.649602       0.8201145 4.067743       0.8304349 3.612797       2.694511  
1 1 1 25  15 6  o 47.10506 1.105609  22.24711       1.040603  23.61120       1.504154  20.99492       1.441137  2.768433       2.211218  
1 1 1 25  15 7  o 25.82359 1.229140  6.719922       0.6332945 7.163587       0.8884382 6.261628       0.9029659 1.748672       2.458279  
1 1 1 25  15 8  o 11.06746 2.210026  1.254375       0.5151234 0.9706243      0.6967334 1.596488       0.7650368 -2.440074      4.420052  
1 1 1 25  15 9  o 16.96125 1.753972  3.004251       0.5589759 3.951520       0.7990298 2.096326       0.7822596 5.680491       3.507943  
1 1 1 25  15 10 o 20.35564 1.444485  4.204067       0.5837618 4.481138       0.7968246 3.883077       0.8576553 1.480974       2.888970  
1 1 1 25  15 11 o 31.37285 1.158015  9.819692       0.7234665 9.099548       0.9696432 10.72401       1.086586  -2.569916      2.316031  
1 1 1 25  15 12 o 24.21297 1.326335  5.925493       0.6398547 6.418013       0.8961185 5.413204       0.9139266 2.078363       2.652671  
1 1 1 25  15 13 o 28.52010 1.226525  8.178609       0.6993348 7.960850       0.9725543 8.411754       1.006328  -0.7844219     2.453050  
1 1 1 25  15 14 o 13.65936 2.078716  1.951832       0.5517006 1.612649       0.7483316 2.355697       0.8165720 -2.650345      4.157432  
1 1 1 25  15 15 o 48.38574 1.134490  23.54590       1.097359  24.55497       1.564795  22.56942       1.539320  2.047050       2.268981  
1 1 1 25  15 16 o 30.80961 1.201423  9.544213       0.7376803 9.382452       0.9982351 9.738830       1.094932  -0.5581436     2.402847  
1 1 1 25  15 17 o 25.77205 1.292349  6.681409       0.6653308 6.303707       0.9162250 7.102765       0.9677258 -1.538515      2.584697  
1 1 1 25  15 18 o 9.596558 2.318341  0.8466523      0.5603529 1.235602       0.7533205 0.3648765      0.8384082 2.586511       4.636683  
1 1 1 25  15 19 o 8.935238 2.217793  0.5775142      0.5550697 1.263012       0.7581832 -0.2142832     0.8148509 4.111498       4.435585  
1 1 1 25  15 20 o 30.74546 1.255740  9.589394       0.7673101 10.20422       1.051157  8.888091       1.122648  2.157824       2.511479  
1 1 1 25  15 21 o 25.99204 1.375264  6.828772       0.7145913 6.849361       0.9965174 6.806978       1.025265  0.8943558E-01  2.750529  
1 1 1 25  15 22 o 14.49972 2.137261  2.237033       0.6286431 3.563405       0.9095637 1.023993       0.8698375 8.419467       4.274521  
1 1 1 25  15 23 o 39.71142 1.191787  15.91614       0.9459128 16.07534       1.317711  15.74690       1.358675  0.4243774      2.383575  
1 1 1 25  15 24 o 9.400974 2.451380  0.7080285      0.6095327 0.4860864      0.8104421 0.9970651      0.9248655 -1.806785      4.902760  
1 1 1 25  15 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  15 26 f 27.65008 1.932299  0.000000       0.000000  ?              ?         7.747059       1.068565  ?              ?         
1 1 1 25  15 27 o 14.57882 2.300804  2.286069       0.6546795 2.083142       0.9241754 2.490480       0.9275470 -1.364717      4.601609  
1 1 1 25  15 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  16 0  f 35.40792 1.102991  12.56901       0.7790371 13.89090       1.123969  11.34681       1.080752  3.587070       2.205983  
1 1 1 25  16 1  o 64.18534 1.225600  41.20493       1.567608  39.20863       2.111058  43.65881       2.340521  -3.433559      2.451200  
1 1 1 25  16 2  o 14.35026 1.943868  2.239583       0.5315561 2.817633       0.7114669 1.509239       0.7997156 4.742373       3.887735  
1 1 1 25  16 3  o 25.10616 1.305947  6.295630       0.6531557 5.617115       0.8847722 7.108252       0.9682681 -2.956179      2.611894  
1 1 1 25  16 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  16 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  16 6  o 29.53607 1.757420  0.000000       0.000000  ?              ?         8.774917       1.038146  ?              ?         
1 1 1 25  16 7  o 43.85918 1.115864  19.25329       0.9762046 18.35529       1.323007  20.32653       1.446347  -2.228546      2.231728  
1 1 1 25  16 8  o 12.13140 2.013720  1.554103       0.5338218 2.474749       0.7393599 0.5515616      0.7715443 7.030733       4.027440  
1 1 1 25  16 9  o 65.09886 1.252534  42.49851       1.626626  40.70797       2.207156  44.62718       2.406549  -2.974831      2.505067  
1 1 1 25  16 10 o 37.01717 1.144104  13.78304       0.8462049 14.52348       1.199409  13.04922       1.194038  1.990433       2.288207  
1 1 1 25  16 11 o 44.57785 1.137591  19.98490       1.013778  20.23313       1.418257  19.72555       1.449655  0.5745621      2.275182  
1 1 1 25  16 12 o 55.74734 1.183196  31.26552       1.319129  31.63933       1.865499  30.89169       1.865561  0.6705704      2.366392  
1 1 1 25  16 13 o 24.22253 1.393911  5.991461       0.6659723 6.950661       0.9272879 4.969655       0.9570723 4.095823       2.787822  
1 1 1 25  16 14 o 47.21036 1.148326  22.31577       1.081288  24.62640       1.592367  20.33870       1.472950  4.517441       2.296653  
1 1 1 25  16 15 o 35.84818 1.180121  12.88711       0.8442099 12.14836       1.148061  13.75686       1.245692  -2.223194      2.360241  
1 1 1 25  16 16 o 21.32496 1.440739  4.613586       0.6101652 4.778773       0.8248674 4.413980       0.9067390 0.8760777      2.881479  
1 1 1 25  16 17 o 28.91055 1.277962  8.431242       0.7378302 8.492359       1.018189  8.363660       1.070688  0.2346878      2.555925  
1 1 1 25  16 18 o 29.03001 1.285016  8.464565       0.7443919 7.910316       1.012864  9.115555       1.097705  -2.055126      2.570032  
1 1 1 25  16 19 o 22.08770 1.520017  4.894927       0.6619473 3.848868       0.8932251 6.169282       0.9858891 -5.225044      3.040034  
1 1 1 25  16 20 o 24.82283 1.388773  6.281139       0.6834443 7.015963       0.9490986 5.489718       0.9849716 3.084335       2.777545  
1 1 1 25  16 21 o 45.74574 1.176333  21.07951       1.075429  20.35111       1.486048  21.88045       1.558295  -1.652664      2.352666  
1 1 1 25  16 22 o 19.59716 1.746852  3.978274       0.6681626 4.922959       0.9405341 3.015740       0.9493771 4.869383       3.493704  
1 1 1 25  16 23 o 35.23624 1.270203  12.45354       0.8914463 11.06729       1.207558  14.11380       1.321527  -4.290150      2.540406  
1 1 1 25  16 24 o 31.95384 1.302515  10.35529       0.8301161 10.99638       1.158952  9.679869       1.189569  2.069567       2.605029  
1 1 1 25  16 25 o 14.13832 2.343611  2.155513       0.6518585 2.189235       0.9240663 2.122110       0.9196836 0.2278576      4.687222  
1 1 1 25  16 26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  16 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  17 0  o 41.67636 1.107216  17.40231       0.9212184 16.76799       1.257688  18.13658       1.353142  -1.628532      2.214432  
1 1 1 25  17 1  o 24.24025 1.326089  5.918642       0.6422649 6.056621       0.8955837 5.772538       0.9215732 0.5904369      2.652178  
1 1 1 25  17 2  o 83.72908 1.449414  70.53720       2.423997  68.44908       3.327071  72.89957       3.538818  -2.617081      2.898829  
1 1 1 25  17 3  o 34.44927 1.163561  11.83793       0.7981475 10.98635       1.069168  12.90988       1.199552  -2.771416      2.327121  
1 1 1 25  17 4  o 27.66369 1.259969  7.601248       0.6923464 6.575830       0.9243981 8.911404       1.044887  -4.200790      2.519938  
1 1 1 25  17 5  o 45.19812 1.158744  20.55358       1.046485  21.31154       1.468934  19.77243       1.491225  1.706154       2.317487  
1 1 1 25  17 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  17 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  17 8  o 42.98182 1.654564  0.000000       0.000000  ?              ?         18.57889       1.422323  ?              ?         
1 1 1 25  17 9  o 26.08979 1.345776  6.843196       0.7014306 6.525911       0.9649200 7.198738       1.021436  -1.278229      2.691552  
1 1 1 25  17 10 o 42.82585 1.154641  18.41470       0.9857232 18.06933       1.335405  18.82816       1.461107  -0.8636589     2.309283  
1 1 1 25  17 11 o 46.76842 1.168377  21.86468       1.089049  24.42835       1.613407  19.71898       1.476041  5.008575       2.336754  
1 1 1 25  17 12 o 33.51492 1.220928  11.21490       0.8143618 10.32804       1.087833  12.34554       1.228277  -2.980255      2.441856  
1 1 1 25  17 13 o 23.36361 1.440753  5.524417       0.6718366 5.705091       0.9308678 5.327983       0.9706195 0.8171101      2.881507  
1 1 1 25  17 14 o 29.93010 1.240035  8.985739       0.7379837 8.666835       0.9846591 9.394464       1.114736  -1.187078      2.480070  
1 1 1 25  17 15 o 17.20350 1.898422  3.121640       0.6220817 3.531839       0.8368054 2.614898       0.9300815 2.942508       3.796843  
1 1 1 25  17 16 o 19.80573 1.643721  3.945936       0.6479629 3.470161       0.8756117 4.521871       0.9633788 -2.628099      3.287441  
1 1 1 25  17 17 o 26.00904 1.378176  6.879931       0.7115545 7.711583       0.9958245 6.012377       1.017092  3.272297       2.756352  
1 1 1 25  17 18 o 14.39962 2.185423  2.188895       0.6110283 1.873290       0.8309892 2.560387       0.9015682 -2.317782      4.370847  
1 1 1 25  17 19 o 21.69695 1.583600  4.792556       0.6844836 5.256186       0.9656028 4.324283       0.9704275 2.149178       3.167200  
1 1 1 25  17 20 o 10.80962 2.268244  0.9627987      0.6234697 -0.1039709     0.8473935 2.221808       0.9205857 -7.166773      4.536489  
1 1 1 25  17 21 o 26.47179 1.436580  7.094333       0.7592381 7.032744       1.041294  7.164241       1.109388  -0.2266674     2.873159  
1 1 1 25  17 22 o 27.06244 1.410214  7.426610       0.7620261 7.915308       1.078118  6.938727       1.077218  1.804018       2.820428  
1 1 1 25  17 23 o 8.975574 2.322197  0.2485045      0.6305699 -0.6887572     0.8390773 1.464670       0.9558018 -5.661698      4.644394  
1 1 1 25  17 24 o 28.62307 1.400607  8.289914       0.8009757 7.950726       1.102906  8.668470       1.165157  -1.232132      2.801214  
1 1 1 25  17 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  18 0  o 13.75920 1.998710  1.935202       0.5411497 1.500132       0.7300521 2.465771       0.8062047 -3.687826      3.997420  
1 1 1 25  18 1  o 26.67382 1.274328  7.129140       0.6765834 6.208628       0.9271646 8.177685       0.9895458 -3.680174      2.548656  
1 1 1 25  18 2  o 33.93060 1.161835  11.60654       0.7861578 12.30333       1.095172  10.86577       1.129199  2.123837       2.323670  
1 1 1 25  18 3  o 72.69725 1.338565  53.08524       1.942362  51.09102       2.648085  55.40768       2.857704  -2.929291      2.677131  
1 1 1 25  18 4  o 29.98572 1.215417  9.004563       0.7268243 8.521913       0.9835016 9.585364       1.078876  -1.756491      2.430834  
1 1 1 25  18 5  o 39.20765 1.169782  15.24201       0.9103858 13.68109       1.201466  17.34653       1.395079  -4.641277      2.339565  
1 1 1 25  18 6  o 27.06463 1.306733  7.352468       0.7054129 7.064055       0.9563079 7.696699       1.044759  -1.151772      2.613466  
1 1 1 25  18 7  o 12.02092 2.311033  1.624988       0.6347672 2.329377       0.7949213 0.3854448      1.054506  5.779282       4.622066  
1 1 1 25  18 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  18 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  18 10 o 30.55855 1.525431  9.638592       0.9022361 8.581834       1.424105  10.34716       1.166124  -2.955822      3.050862  
1 1 1 25  18 11 f 35.29457 1.224122  12.60928       0.8598342 13.71157       1.198206  11.43903       1.234588  3.227192       2.448245  
1 1 1 25  18 12 o 21.32091 1.580247  4.577862       0.6664700 3.709557       0.9084241 5.590024       0.9807925 -4.389893      3.160495  
1 1 1 25  18 13 o 14.69374 2.128383  2.243463       0.6187015 1.338730       0.8412172 3.309552       0.9131555 -6.704759      4.256766  
1 1 1 25  18 14 o 25.96872 1.396312  6.805698       0.7241495 6.680594       0.9938253 6.947299       1.057326  -0.4969330     2.792625  
1 1 1 25  18 15 o 34.86092 1.248681  12.24823       0.8700525 11.99952       1.204919  12.51918       1.257654  -0.7324219     2.497361  
1 1 1 25  18 16 o 21.18155 1.895239  4.819676       0.7043072 7.481400       1.026458  2.451631       0.9681767 12.06844       3.790479  
1 1 1 25  18 17 o 19.86714 1.709879  4.046483       0.6739218 4.442939       0.9303132 3.608717       0.9775815 2.116350       3.419759  
1 1 1 25  18 18 o 46.86411 1.221042  22.17751       1.143971  22.84495       1.614241  21.50411       1.621422  1.432526       2.442084  
1 1 1 25  18 19 o 19.50555 1.778403  3.816175       0.6824756 2.959961       0.9092811 4.920827       1.032809  -4.978518      3.556807  
1 1 1 25  18 20 o 49.75143 1.221118  24.99063       1.214893  25.05555       1.705902  24.92383       1.730602  0.1392365      2.442235  
1 1 1 25  18 21 o 20.92691 1.690552  4.457659       0.7068543 4.327483       0.9735443 4.602793       1.027960  -0.6357803     3.381103  
1 1 1 25  18 22 o 9.317924 2.439212  0.6191491      0.6468439 1.213497       0.8929412 -0.3710518E-01 0.9382936 3.184493       4.878424  
1 1 1 25  18 23 o 56.52402 1.280538  32.28481       1.447021  33.47697       2.079642  31.16594       2.014696  2.024006       2.561076  
1 1 1 25  18 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  19 0  o 68.46677 1.308093  47.20984       1.790844  47.39144       2.509915  47.02152       2.555985  0.2788925      2.616186  
1 1 1 25  19 1  f 49.93084 1.173598  25.09158       1.171075  25.81899       1.641330  24.33730       1.671379  1.488895       2.347197  
1 1 1 25  19 2  o 28.14068 1.298444  7.701264       0.7163295 5.987344       0.9267979 10.24433       1.128935  -7.525507      2.596888  
1 1 1 25  19 3  o 36.97294 1.190512  13.75161       0.8769485 13.75506       1.189403  13.74751       1.298098  0.2938843E-01  2.381024  
1 1 1 25  19 4  o 32.07560 1.219390  10.26207       0.7780230 9.497769       1.036449  11.24873       1.177599  -2.703081      2.438781  
1 1 1 25  19 5  o 38.97731 1.185144  15.28488       0.9220049 15.22862       1.263317  15.34899       1.348689  -0.1382561     2.370288  
1 1 1 25  19 6  o 36.46320 1.198051  13.38678       0.8730116 13.40626       1.211437  13.36572       1.259197  0.6517029E-01  2.396102  
1 1 1 25  19 7  f 25.87365 1.419271  6.803967       0.7294421 7.506116       1.014733  6.053153       1.049309  2.816263       2.838541  
1 1 1 25  19 8  o 30.43274 1.311272  9.378970       0.7944394 9.882069       1.092412  8.814212       1.157418  1.769405       2.622543  
1 1 1 25  19 9  o 8.514312 3.365397  0.4343117      0.8463556 0.4343117      0.8463556 ?              ?         ?              ?         
1 1 1 25  19 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  19 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  19 12 o 17.62842 2.027009  3.407289       0.6602988 4.193771       0.8770080 2.378012       1.003287  5.448370       4.054018  
1 1 1 25  19 13 o 31.86055 1.316214  10.30626       0.8338566 11.07858       1.150248  9.450822       1.210566  2.570087       2.632428  
1 1 1 25  19 14 o 38.09411 1.259520  14.63060       0.9559929 16.41060       1.376652  12.97272       1.328585  4.500290       2.519041  
1 1 1 25  19 15 o 30.86361 1.336661  9.646066       0.8223419 9.900991       1.127320  9.356136       1.202224  0.9036846      2.673322  
1 1 1 25  19 16 f 20.15946 1.733747  4.122631       0.6928194 4.006503       0.9151401 4.278559       1.060426  -0.6184940     3.467493  
1 1 1 25  19 17 o 9.864557 2.516687  0.8423220      0.6486308 1.155030       0.9025499 0.5082985      0.9328029 1.797004       5.033374  
1 1 1 25  19 18 o 45.55692 1.256704  20.84115       1.140388  19.67534       1.531164  22.29341       1.708945  -2.822945      2.513407  
1 1 1 25  19 19 o 31.64563 1.384390  10.13750       0.8759648 9.835349       1.224580  10.45411       1.253529  -0.9681911     2.768781  
1 1 1 25  19 20 o 36.47381 1.308481  13.47209       0.9530212 13.60442       1.315489  13.32592       1.382562  0.4037552      2.616963  
1 1 1 25  19 21 o 22.40576 1.692193  5.143400       0.7546854 5.547527       1.048845  4.709546       1.086736  1.885761       3.384386  
1 1 1 25  19 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  20 0  o 59.52321 1.239199  35.61718       1.473945  37.70487       2.127570  33.69048       2.043893  3.355995       2.478398  
1 1 1 25  20 1  o 40.13192 1.188352  16.21046       0.9531171 16.24415       1.323606  16.17418       1.373607  0.9671402E-01  2.376704  
1 1 1 25  20 2  o 8.706527 2.352950  0.5194987      0.5788751 0.2880963      0.8072943 0.7643986      0.8305050 -1.433469      4.705901  
1 1 1 25  20 3  o 23.64191 1.465969  5.485509       0.6824331 4.429327       0.8875000 7.013362       1.067431  -5.419771      2.931937  
1 1 1 25  20 4  o 33.70054 1.231298  11.47516       0.8271820 11.97703       1.141313  10.91983       1.200559  1.581257       2.462595  
1 1 1 25  20 5  o 30.05225 1.345024  9.114149       0.8065967 9.133542       1.105004  9.092032       1.180095  0.8684349E-01  2.690048  
1 1 1 25  20 6  o 43.37301 1.210241  18.94740       1.048136  20.41710       1.497604  17.53633       1.467432  3.314503       2.420482  
1 1 1 25  20 7  o 34.94460 1.247718  12.32680       0.8698897 12.64860       1.198911  11.96905       1.264095  0.9867287      2.495436  
1 1 1 25  20 8  o 20.29196 1.708800  4.174795       0.6929777 4.074611       0.9578046 4.284843       1.003853  -0.5038109     3.417600  
1 1 1 25  20 9  o 24.90652 1.527621  6.226930       0.7577403 5.644513       1.018486  6.948963       1.134011  -2.585741      3.055242  
1 1 1 25  20 10 o 56.41873 1.273503  32.13972       1.435647  33.55903       2.023434  30.70095       2.037259  2.536335       2.547006  
1 1 1 25  20 11 o 38.55814 2.589191  15.14779       1.996688  15.14779       1.996688  ?              ?         ?              ?         
1 1 1 25  20 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  20 13 o 7.815636 3.399035  0.000000       0.000000  ?              ?         -0.1125263     0.9910043 ?              ?         
1 1 1 25  20 14 o 54.70657 1.274750  30.17778       1.392703  32.56796       2.014419  27.98916       1.927606  4.160152       2.549500  
1 1 1 25  20 15 o 18.08330 2.016227  3.441529       0.7000334 3.725377       0.9391327 3.086616       1.050135  2.078238       4.032454  
1 1 1 25  20 16 o 50.05012 1.267995  25.31622       1.266665  25.44526       1.739239  25.17048       1.848410  0.3057861      2.535990  
1 1 1 25  20 17 o 22.70816 1.720188  5.219149       0.7775745 4.583188       1.053942  5.978805       1.151887  -3.033369      3.440377  
1 1 1 25  20 18 o 22.94755 1.705431  5.408586       0.7736597 5.639262       1.033159  5.114110       1.167325  1.200991       3.410863  
1 1 1 25  20 19 o 32.81930 1.394490  10.82297       0.9094556 10.12521       1.206292  11.74190       1.384343  -2.401291      2.788981  
1 1 1 25  20 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  20 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  21 0  f 49.03082 1.207299  23.96089       1.175811  22.15272       1.555832  26.36905       1.795497  -4.248734      2.414597  
1 1 1 25  21 1  o 24.07621 1.466525  5.888509       0.7001253 6.784228       0.9920914 4.999849       0.9881737 3.704685       2.933050  
1 1 1 25  21 2  o 10.66924 2.377482  1.079839       0.5792571 0.6655996      0.7653850 1.635202       0.8862212 -3.489008      4.754964  
1 1 1 25  21 3  o 59.14837 1.266923  35.17169       1.495514  33.90344       2.036304  36.65680       2.203533  -2.289993      2.533846  
1 1 1 25  21 4  o 51.54597 1.224961  26.77097       1.262034  28.05591       1.795855  25.51723       1.773919  2.457722       2.449922  
1 1 1 25  21 5  o 8.966857 2.348552  0.3721806      0.6064003 -0.2861327     0.7944264 1.291252       0.9386676 -4.652600      4.697105  
1 1 1 25  21 6  o 50.42045 1.239315  25.64831       1.248508  26.91470       1.764005  24.37716       1.767315  2.517151       2.478631  
1 1 1 25  21 7  o 12.06410 2.490756  1.495895       0.6323087 1.268544       0.8226170 1.824184       0.9885020 -2.010154      4.981513  
1 1 1 25  21 8  o 22.78794 1.604039  5.276747       0.7284827 5.383691       0.9956413 5.153533       1.068694  0.5282650      3.208079  
1 1 1 25  21 9  o 9.763110 2.451328  0.7586872      0.6154964 0.3343167      0.8114710 1.333574       0.9444774 -3.310616      4.902655  
1 1 1 25  21 10 o 32.96128 1.364252  11.01000       0.8954419 11.29236       1.220534  10.68089       1.317737  0.9553680      2.728505  
1 1 1 25  21 11 o 53.40438 1.272172  28.78833       1.357544  30.57065       1.947272  27.10297       1.893569  3.231415       2.544345  
1 1 1 25  21 12 o 13.34677 2.597664  1.922796       0.7063006 1.985712       0.9025011 1.823360       1.134582  0.4905119      5.195327  
1 1 1 25  21 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  21 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  21 15 o 8.793291 2.502214  0.2648977      0.6920326 -0.2096402     0.9203621 0.8821896      1.049708  -2.926406      5.004427  
1 1 1 25  21 16 f 34.44805 2.498024  12.12958       1.721041  12.12958       1.721041  ?              ?         ?              ?         
1 1 1 25  21 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  21 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  21 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  22 0  o 25.13946 1.496378  6.391014       0.7522225 6.306820       1.051523  6.479258       1.076524  -0.3361549     2.992755  
1 1 1 25  22 1  o 8.684490 2.392823  0.4631110      0.6117755 0.7592372      0.8482255 0.1420639      0.8831961 1.512157       4.785646  
1 1 1 25  22 2  o 34.36004 1.301202  11.84283       0.8912027 11.05879       1.201885  12.80044       1.328274  -2.503139      2.602404  
1 1 1 25  22 3  o 66.92786 1.347240  45.18729       1.802127  47.50225       2.596564  43.03583       2.503186  3.312225       2.694481  
1 1 1 25  22 4  o 34.01736 1.314386  11.68167       0.8901737 11.65950       1.202594  11.70854       1.323926  -0.4047775E-01 2.628771  
1 1 1 25  22 5  o 62.43634 1.322921  39.33240       1.650857  41.40868       2.371135  37.37914       2.299826  3.208088       2.645841  
1 1 1 25  22 6  f 8.672474 2.427468  0.3221821      0.6642576 0.8869041      0.9165419 -0.3026178     0.9640630 2.616286       4.854937  
1 1 1 25  22 7  o 47.57405 1.269830  22.86669       1.207448  23.64610       1.700386  22.07393       1.714885  1.656258       2.539660  
1 1 1 25  22 8  f 9.872969 2.512577  0.7501081      0.6593191 0.2303871      0.8884426 1.387179       0.9836445 -3.484120      5.025154  
1 1 1 25  22 9  o 30.44711 1.465189  9.427155       0.8881348 9.811275       1.215638  8.987401       1.300696  1.380531       2.930378  
1 1 1 25  22 10 o 31.18958 1.431604  9.672654       0.8843068 8.561339       1.156850  11.23483       1.371589  -4.217907      2.863208  
1 1 1 25  22 11 f 71.64165 1.724523  51.40641       2.329416  55.00209       4.092930  49.68373       2.832990  3.224281       3.449047  
1 1 1 25  22 12 f 47.67291 3.016985  0.000000       0.000000  ?              ?         23.41064       2.876569  ?              ?         
1 1 1 25  22 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  22 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  22 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  22 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  23 0  f 9.783093 2.716364  0.3785594      0.7525070 1.287810       1.331784  -0.4788272E-01 0.9120571 4.309028       5.432727  
1 1 1 25  23 1  o 54.98326 1.286953  30.46119       1.412374  29.68999       1.927511  31.35533       2.075483  -1.476048      2.573906  
1 1 1 25  23 2  o 60.30066 1.311371  36.72421       1.580285  36.65167       2.190942  36.80287       2.281533  -0.1008263     2.622742  
1 1 1 25  23 3  o 62.16780 1.339694  39.06614       1.664279  38.94892       2.304792  39.19385       2.405744  -0.1678429     2.679389  
1 1 1 25  23 4  o 43.51955 1.319729  19.16286       1.147722  19.75658       1.608793  18.54750       1.637845  1.397663       2.639457  
1 1 1 25  23 5  o 30.58691 1.748170  9.387486       1.029890  10.08397       1.729862  9.005064       1.281820  1.589888       3.496339  
1 1 1 25  23 6  o 8.764017 2.642192  0.1073530      0.7912844 -0.1936295     1.345345  0.2665447      0.9784152 0.4323111      5.284384  
1 1 1 25  23 7  o 18.52396 5.047452  0.000000       0.000000  ?              ?         3.832390       1.920496  ?              ?         
1 1 1 25  23 8  o 18.04352 5.158343  0.000000       0.000000  ?              ?         3.640213       1.955463  ?              ?         
1 1 1 25  23 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  23 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  23 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  23 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  23 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  23 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 0  o 45.88329 3.006445  0.000000       0.000000  ?              ?         21.65117       2.758911  ?              ?         
1 1 1 25  24 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 2  o 34.81532 3.675997  0.000000       0.000000  ?              ?         12.63283       2.559620  ?              ?         
1 1 1 25  24 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  24 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  25 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  25 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  25 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  25 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  25 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  25 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  25 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  25 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  25 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  26 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  26 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  26 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 25  26 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  0  0  o 84.74902 1.353628  71.96957       2.290227  73.84288       3.313636  70.25627       3.168948  -0.000000      0.000000  
1 1 1 26  0  1  o 29.83670 0.8071417 8.938648       0.4799009 8.693368       0.6667070 9.202378       0.6913269 -0.000000      0.000000  
1 1 1 26  0  2  o 91.15686 1.439132  83.32812       2.619958  84.86018       3.764649  81.88917       3.648443  -0.000000      0.000000  
1 1 1 26  0  3  o 43.24828 0.8692691 18.76348       0.7504947 18.98345       1.060222  18.54257       1.062501  -0.000000      0.000000  
1 1 1 26  0  4  o 26.37436 0.8050963 7.001763       0.4228033 7.184353       0.5958391 6.816584       0.6000513 -0.000000      0.000000  
1 1 1 26  0  5  o 8.745080 1.765676  0.9298070      0.2665413 0.9143174      0.3617389 0.9482058      0.3942485 -0.000000      0.000000  
1 1 1 26  0  6  o 82.15450 1.320038  67.70969       2.166279  67.36471       3.041332  68.06494       3.086325  -0.000000      0.000000  
1 1 1 26  0  7  f 22.01290 0.8675513 4.901565       0.3788092 5.170046       0.5325090 4.626515       0.5389840 -0.000000      0.000000  
1 1 1 26  0  8  o 32.11306 0.8107962 10.32862       0.5183774 9.856362       0.7078454 10.87484       0.7612580 -0.000000      0.000000  
1 1 1 26  0  9  o 60.42546 1.046665  36.55849       1.261570  35.40131       1.731252  37.86871       1.842169  -0.000000      0.000000  
1 1 1 26  0  10 f 96.57834 1.513640  93.65869       2.920202  92.92583       4.094892  94.41710       4.165596  -0.000000      0.000000  
1 1 1 26  0  11 o 50.92622 0.9463590 26.01152       0.9622738 25.62536       1.346811  26.41422       1.375359  -0.000000      0.000000  
1 1 1 26  0  12 o 72.60131 1.198785  52.89486       1.738390  53.29665       2.479124  52.50621       2.438294  -0.000000      0.000000  
1 1 1 26  0  13 o 42.05786 0.8779206 17.68303       0.7353824 18.84297       1.085471  16.69900       0.9997814 -0.000000      0.000000  
1 1 1 26  0  14 o 8.794464 1.939835  0.9721290      0.2983679 0.9642453      0.4276651 0.9796053      0.4164693 -0.000000      0.000000  
1 1 1 26  0  15 o 36.33118 0.8528277 13.25823       0.6181707 13.13938       0.8735981 13.37742       0.8748540 -0.000000      0.000000  
1 1 1 26  0  16 o 36.34193 0.8548523 13.26515       0.6196973 13.35543       0.8868912 13.17903       0.8662421 -0.000000      0.000000  
1 1 1 26  0  17 f 61.79615 1.069698  38.29018       1.318885  39.20175       1.918486  37.47332       1.816092  -0.000000      0.000000  
1 1 1 26  0  18 o 13.40341 1.188375  1.855476       0.3095513 1.861516       0.4804039 1.851189       0.4047875 -0.000000      0.000000  
1 1 1 26  0  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  0  20 o 2.607294 1.836008  -0.3371201     0.3498816 -0.3371201     0.3498816 -0.3371201     0.3498816 -0.000000      0.000000  
1 1 1 26  0  21 o 13.12672 1.347285  1.859448       0.3223082 1.658816       0.4948263 2.007296       0.4247760 -0.000000      0.000000  
1 1 1 26  0  22 o 17.97192 1.003639  3.258707       0.3530419 3.567099       0.5456992 3.036716       0.4629878 -0.000000      0.000000  
1 1 1 26  0  23 o 35.03143 0.8679075 12.26979       0.6032831 10.64774       0.8229470 14.15412       0.8869903 -0.000000      0.000000  
1 1 1 26  0  24 o 65.27541 1.128195  42.73623       1.469381  40.98581       2.022653  44.69234       2.138194  -0.000000      0.000000  
1 1 1 26  0  25 o 37.84771 0.8760813 14.40426       0.6608232 14.25460       0.9549997 14.54175       0.9153510 -0.000000      0.000000  
1 1 1 26  0  26 o 37.79401 0.8858750 14.34437       0.6671030 13.34417       0.9283031 15.41251       0.9593133 -0.000000      0.000000  
1 1 1 26  0  27 o 94.45158 1.505176  89.86723       2.839408  88.27119       3.961808  91.55284       4.071496  -0.000000      0.000000  
1 1 1 26  0  28 o 31.54716 0.8885981 10.02881       0.5562634 8.864332       0.7773523 11.25088       0.7963420 -0.000000      0.000000  
1 1 1 26  0  29 f 6.792665 2.161850  0.6745540      0.3098774 0.6734886      0.4899486 0.6752644      0.4000558 -0.000000      0.000000  
1 1 1 26  0  30 f 7.485479 2.182021  0.7804759      0.3177953 0.8797738      0.4995459 0.7129678      0.4118918 -0.000000      0.000000  
1 1 1 26  0  31 o 32.48589 0.9019690 10.59881       0.5802742 10.89782       0.8769411 10.36591       0.7739400 -0.000000      0.000000  
1 1 1 26  0  32 o 17.10311 1.819156  3.039989       0.6097982 3.039989       0.6097982 3.039989       0.6097982 -0.000000      0.000000  
1 1 1 26  0  33 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  1  0  o 64.43647 0.7729485 41.54316       0.9958585 40.84555       1.388984  42.28110       1.428563  -1.112202      1.545897  
1 1 1 26  1  1  o 66.82928 0.7944058 44.68480       1.061451  45.61183       1.524927  43.81350       1.478392  1.343300       1.588812  
1 1 1 26  1  2  o 48.55271 0.6468722 23.54897       0.6275041 22.68457       0.8638230 24.51475       0.9130732 -1.882778      1.293744  
1 1 1 26  1  3  o 39.27061 0.5935453 15.42903       0.4661311 15.63343       0.6649684 15.23157       0.6535965 0.5112076      1.187091  
1 1 1 26  1  4  o 50.87525 0.6630718 25.89114       0.6744432 25.39552       0.9387593 26.41985       0.9696015 -1.005287      1.326144  
1 1 1 26  1  5  f 59.53328 0.7316648 35.41160       0.8700753 36.80674       1.269926  34.17730       1.194481  2.204491       1.463330  
1 1 1 26  1  6  o 19.29649 0.6249146 3.725612       0.2411465 3.794279       0.3438986 3.659186       0.3382371 0.3497963      1.249829  
1 1 1 26  1  7  o 76.89734 0.8819237 59.03394       1.353121  61.92529       1.999018  56.58888       1.838276  3.459480       1.763847  
1 1 1 26  1  8  o 54.91860 0.6950663 30.17938       0.7632098 29.66654       1.063487  30.72398       1.095927  -0.9609642     1.390133  
1 1 1 26  1  9  o 35.61308 0.5837677 12.61724       0.4145432 13.91153       0.6135836 11.53035       0.5622759 3.340637       1.167535  
1 1 1 26  1  10 o 46.01112 0.6332567 21.18890       0.5827093 21.44016       0.8286458 20.94312       0.8195797 0.5396423      1.266513  
1 1 1 26  1  11 f 41.22196 0.6107084 17.00584       0.5034394 17.34252       0.7170227 16.67848       0.7070240 0.8048820      1.221417  
1 1 1 26  1  12 o 81.28189 0.9254020 66.20599       1.504041  67.11665       2.154425  65.34022       2.100666  1.087852       1.850804  
1 1 1 26  1  13 o 36.60638 0.5939126 13.36746       0.4340553 14.29413       0.6365557 12.56216       0.5934070 2.363003       1.187825  
1 1 1 26  1  14 o 70.14638 0.8270688 49.17579       1.158080  51.32767       1.703123  47.32517       1.579411  2.842117       1.654138  
1 1 1 26  1  15 o 33.41048 0.5861666 11.17544       0.3916000 11.46555       0.5548581 10.88752       0.5527599 0.8649101      1.172333  
1 1 1 26  1  16 o 89.11715 1.000444  79.65993       1.782763  80.77026       2.553071  78.60333       2.490507  1.208420       2.000888  
1 1 1 26  1  17 o 35.32150 0.7537605 12.17290       0.4904915 13.34011       0.9065047 11.68972       0.5832441 2.306263       1.507521  
1 1 1 26  1  18 o 79.97868 1.309111  64.31661       2.092527  65.80998       3.028810  62.95291       2.894328  1.763008       2.618221  
1 1 1 26  1  19 f 7.145551 1.361761  0.5303046      0.2000799 0.4556580      0.2811668 0.6068816      0.2847793 -0.9364386     2.723522  
1 1 1 26  1  20 o 34.68566 0.7335052 12.20119       0.4810961 12.51801       0.5950515 11.60324       0.8174912 1.340969       1.467010  
1 1 1 26  1  21 f 28.41875 0.8201777 8.110910       0.4651805 8.703864       0.6570890 7.515149       0.6586429 2.091614       1.640355  
1 1 1 26  1  22 o 29.44090 0.6013042 8.593526       0.3521599 9.883697       0.5274857 7.556060       0.4730140 3.948183       1.202608  
1 1 1 26  1  23 o 25.81950 0.6137502 6.673222       0.3168154 6.866489       0.4556136 6.492285       0.4408408 0.7231712      1.227500  
1 1 1 26  1  24 o 21.30726 0.6522053 4.536555       0.2764381 5.231434       0.4023356 3.915167       0.3804657 3.086290       1.304411  
1 1 1 26  1  25 o 36.89689 0.6150804 13.63766       0.4538602 13.45532       0.6375852 13.82497       0.6462121 -0.4999886     1.230161  
1 1 1 26  1  26 f 37.66734 0.6203857 14.21637       0.4673638 14.26510       0.6618864 14.16792       0.6600221 0.1287842      1.240771  
1 1 1 26  1  27 o 74.13797 0.8741722 55.16560       1.295660  54.14279       1.801392  56.26185       1.864940  -1.418236      1.748344  
1 1 1 26  1  28 o 23.92308 0.6472515 5.731248       0.3094780 6.032410       0.4448057 5.448671       0.4308632 1.218210       1.294503  
1 1 1 26  1  29 o 29.98345 0.6289153 8.955270       0.3758143 8.040008       0.5102472 10.04050       0.5556088 -3.329630      1.257831  
1 1 1 26  1  30 f 49.40659 0.6892403 24.46137       0.6807247 25.16609       0.9817113 23.80873       0.9447333 1.368023       1.378481  
1 1 1 26  1  31 f 25.84555 0.8613376 6.815567       0.4090263 6.448121       0.7324854 6.982061       0.4930607 -1.079912      1.722675  
1 1 1 26  1  32 o 29.62731 0.7808793 8.473461       0.4364555 7.849702       0.5267537 9.839606       0.7795567 -3.308470      1.561759  
1 1 1 26  1  33 o 22.10661 0.8268938 5.066420       0.3517130 5.643433       0.4568578 4.226852       0.5510824 3.222553       1.653788  
1 1 1 26  2  0  o 32.55210 0.7696103 10.59920       0.5007044 10.05807       0.6989739 11.16955       0.7175994 -1.706413      1.539221  
1 1 1 26  2  1  f 29.52658 0.7611577 8.496681       0.4435238 10.43545       0.6959236 7.170580       0.5755550 5.523251       1.522315  
1 1 1 26  2  2  o 28.15256 0.6687707 7.907895       0.3598697 8.013350       0.6077881 7.850967       0.4465625 0.2817192      1.337541  
1 1 1 26  2  3  o 20.74134 0.5888871 4.305824       0.2441975 4.441593       0.3454577 4.170229       0.3452372 0.6541519      1.177774  
1 1 1 26  2  4  o 45.93601 0.6289849 21.10793       0.5777206 21.57647       0.8281515 20.66375       0.8063263 0.9925041      1.257970  
1 1 1 26  2  5  o 21.06963 0.6009901 4.443525       0.2526058 4.034321       0.3535477 4.870273       0.3610474 -1.983465      1.201980  
1 1 1 26  2  6  o 81.53656 0.9245176 66.48492       1.505836  68.76532       2.195744  64.46008       2.069046  2.631821       1.849035  
1 1 1 26  2  7  o 46.86655 0.6381903 21.93220       0.5973499 21.04889       0.8185668 22.93848       0.8736849 -2.013309      1.276381  
1 1 1 26  2  8  o 47.57676 0.6435505 22.60892       0.6116609 23.68421       0.8913353 21.65187       0.8409043 2.133263       1.287101  
1 1 1 26  2  9  o 67.86345 0.8044334 46.10655       1.091464  45.46375       1.520107  46.79063       1.568139  -0.9743805     1.608867  
1 1 1 26  2  10 o 31.90312 0.5807579 10.04587       0.3678656 11.82222       0.5571030 8.672557       0.4898438 4.932888       1.161516  
1 1 1 26  2  11 o 87.55058 0.9824045 76.73696       1.718385  79.09961       2.500686  74.62321       2.365289  2.544136       1.964809  
1 1 1 26  2  12 o 58.92783 0.7319165 34.58407       0.8594963 32.60639       1.157061  37.01881       1.283820  -3.734631      1.463833  
1 1 1 26  2  13 o 68.76604 0.8810953 47.28054       1.195228  48.08793       1.856874  46.70937       1.561783  0.9752884      1.762191  
1 1 1 26  2  14 o 54.85269 0.7002820 30.13259       0.7682407 30.11039       1.084077  30.15498       1.088852  -0.4028702E-01 1.400564  
1 1 1 26  2  15 o 56.63440 0.8903066 32.06225       0.9421509 32.41663       1.665104  31.89537       1.142655  0.4087372      1.780613  
1 1 1 26  2  16 o 32.19989 0.8773243 10.38559       0.5644681 9.770769       0.7864859 11.03872       0.8106180 -1.966368      1.754649  
1 1 1 26  2  17 o 50.53802 0.8366517 25.42381       0.7855993 25.12224       0.9465399 26.09147       1.408367  -0.9111900     1.673303  
1 1 1 26  2  18 o 38.28145 0.6117277 14.67524       0.4683146 14.93735       0.6637568 14.41541       0.6608465 0.6814728      1.223455  
1 1 1 26  2  19 o 67.57025 0.8092746 45.76502       1.093512  45.34929       1.531533  46.19737       1.561831  -0.6242218     1.618549  
1 1 1 26  2  20 o 79.46896 0.9141433 63.36002       1.452850  63.62603       2.066533  63.10004       2.042949  0.3279114      1.828287  
1 1 1 26  2  21 o 37.50012 0.6071147 14.07580       0.4552007 13.65276       0.6353601 14.52196       0.6524835 -1.157413      1.214229  
1 1 1 26  2  22 o 49.47440 0.9309256 24.56411       0.9208681 24.43421       1.285285  24.70113       1.320018  -0.2648888     1.861851  
1 1 1 26  2  23 f 12.60732 1.124001  1.792325       0.2457841 1.007571       0.3763010 2.376207       0.3245869 -5.575243      2.248002  
1 1 1 26  2  24 o 43.81950 0.6386867 19.23003       0.5595841 18.77157       0.7804711 19.71502       0.8027415 -1.074017      1.277373  
1 1 1 26  2  25 f 24.30641 0.6308744 5.916594       0.3065961 5.787241       0.4273442 6.053800       0.4401230 -0.5469055     1.261749  
1 1 1 26  2  26 o 55.93207 0.7243364 31.36814       0.8102409 31.49596       1.151864  31.24296       1.139937  0.2245674      1.448673  
1 1 1 26  2  27 o 44.72932 0.6536352 20.03699       0.5844172 20.58745       0.8436393 19.52911       0.8103472 1.178764       1.307270  
1 1 1 26  2  28 o 42.79604 0.6496013 18.30320       0.5551456 17.26554       0.7604621 19.48711       0.8122868 -2.588676      1.299203  
1 1 1 26  2  29 o 27.34515 0.6394330 7.492480       0.3495508 7.815446       0.5005226 7.184994       0.4883799 1.151028       1.278866  
1 1 1 26  2  30 o 19.80308 2.550602  0.000000       0.000000  ?              ?         4.001798       1.010196  ?              ?         
1 1 1 26  2  31 o 26.75273 0.7161208 7.296262       0.3769130 8.411806       0.5186449 6.047707       0.5486946 4.423422       1.432242  
1 1 1 26  2  32 o 42.11786 0.6605275 17.78930       0.5563152 18.09501       0.7952189 17.49627       0.7785432 0.7080078      1.321055  
1 1 1 26  2  33 f 44.81329 0.6762900 20.11259       0.6056298 19.23163       0.8367499 21.08188       0.8776964 -2.057606      1.352580  
1 1 1 26  3  0  o 66.81349 0.7918935 44.38307       1.053239  47.75669       1.585567  41.71888       1.409024  4.510223       1.583787  
1 1 1 26  3  1  o 23.89340 0.6397650 5.602944       0.2961922 5.295378       0.3706352 6.146507       0.4927218 -1.776331      1.279530  
1 1 1 26  3  2  o 81.07755 1.286856  65.79942       2.083356  68.22983       3.052360  63.67971       2.850597  2.789215       2.573711  
1 1 1 26  3  3  o 45.49592 0.8476091 20.71972       0.7710660 21.07212       1.105514  20.38590       1.075989  0.7524376      1.695218  
1 1 1 26  3  4  o 109.2367 1.444409  120.9036       3.027092  115.8924       4.995959  123.8105       3.805103  -3.743439      2.888819  
1 1 1 26  3  5  o 20.24561 0.5845205 4.101427       0.2366368 4.091601       0.3313360 4.111657       0.3380757 -0.4925728E-01 1.169041  
1 1 1 26  3  6  f 51.03130 0.6637312 25.99579       0.6762153 24.95872       0.9233109 27.19562       0.9931267 -2.188374      1.327462  
1 1 1 26  3  7  o 14.88191 0.6841526 2.223070       0.2030677 2.352775       0.2828792 2.085163       0.2916856 0.8995771      1.368305  
1 1 1 26  3  8  o 19.11273 0.6096410 3.635891       0.2323736 3.316839       0.3159457 4.011850       0.3429667 -1.816847      1.219282  
1 1 1 26  3  9  o 38.30210 0.5877312 14.68192       0.4501787 14.98243       0.6390347 14.38585       0.6342894 0.7785492      1.175462  
1 1 1 26  3  10 o 40.22034 0.6000864 16.18934       0.4826526 16.55729       0.6864241 15.82954       0.6787877 0.9042892      1.200173  
1 1 1 26  3  11 o 22.30550 0.5940586 5.002928       0.2621120 5.937442       0.3746199 4.106697       0.3668663 4.103363       1.188117  
1 1 1 26  3  12 o 61.16470 0.7474539 37.43240       0.9137824 38.56211       1.321244  36.39656       1.265148  1.765980       1.494908  
1 1 1 26  3  13 o 46.62320 0.6992559 21.37139       0.6356812 23.50582       1.040110  20.09876       0.8031336 3.636456       1.398512  
1 1 1 26  3  14 f 34.99665 0.8866048 12.23344       0.6193547 11.28815       0.8492484 13.30746       0.9052290 -2.879646      1.773210  
1 1 1 26  3  15 f 57.51990 0.9000180 32.84167       0.9571217 32.31950       1.147403  34.03621       1.735433  -1.432808      1.800036  
1 1 1 26  3  16 f 21.34817 0.6197237 4.545925       0.2640504 4.290804       0.3596084 4.844399       0.3889641 -1.294397      1.239447  
1 1 1 26  3  17 o 12.63332 0.8273594 1.611025       0.2074138 1.717835       0.2825445 1.486197       0.3054473 0.9191704      1.654719  
1 1 1 26  3  18 o 43.15557 0.6291792 18.49473       0.5406764 20.47093       0.8115544 16.91755       0.7250080 4.109665       1.258358  
1 1 1 26  3  19 o 14.51934 0.7839536 2.112919       0.2267629 2.110956       0.3073665 2.115265       0.3359141 -0.1179218E-01 1.567907  
1 1 1 26  3  20 o 35.12008 0.6011006 12.33569       0.4217443 13.18722       0.6076703 11.54434       0.5858034 2.337067       1.202201  
1 1 1 26  3  21 o 14.36126 0.7951977 2.072762       0.2272187 2.120685       0.3081708 2.015676       0.3363462 0.3688660      1.590395  
1 1 1 26  3  22 o 37.60806 0.6066852 14.11184       0.4554345 15.12565       0.6694269 13.23825       0.6214131 2.504848       1.213370  
1 1 1 26  3  23 o 69.45291 1.014964  47.94812       1.316698  47.02910       1.591294  49.94341       2.344728  -1.970711      2.029928  
1 1 1 26  3  24 o 13.33484 0.9705412 1.790404       0.2582703 1.693301       0.3704878 1.882202       0.3602271 -0.7100487     1.941082  
1 1 1 26  3  25 o 24.40382 0.6306452 5.957253       0.3074042 5.548401       0.4259870 6.401502       0.4440454 -1.745865      1.261290  
1 1 1 26  3  26 o 37.68247 0.6211947 14.22756       0.4681426 14.33479       0.6658692 14.12276       0.6583028 0.2804604      1.242389  
1 1 1 26  3  27 o 34.68595 0.6223648 12.04761       0.4315632 11.71345       0.5998499 12.40616       0.6213636 -0.9958878     1.244730  
1 1 1 26  3  28 o 25.23995 0.7898312 6.392253       0.3760383 6.388984       0.4607510 6.398775       0.6507530 0.1131058E-01  1.579662  
1 1 1 26  3  29 f 21.00306 1.079608  4.477692       0.4495926 3.876951       0.6441275 5.048410       0.6278258 -2.792675      2.159216  
1 1 1 26  3  30 o 19.10949 0.7273383 3.676311       0.2769857 3.967239       0.3875955 3.372670       0.3959727 1.557051       1.454677  
1 1 1 26  3  31 o 28.10968 0.6457533 7.919527       0.3626661 8.431604       0.5192351 7.431746       0.5067668 1.776573       1.291507  
1 1 1 26  3  32 o 27.28060 0.6570883 7.417032       0.3572819 6.683479       0.4846970 8.289864       0.5287135 -2.936943      1.314177  
1 1 1 26  3  33 o 33.48003 0.7233056 11.25457       0.4760923 11.27379       0.6192272 11.22679       0.7445572 0.9259415E-01  1.446611  
1 1 1 26  4  0  o 55.65184 0.6972706 30.91113       0.7746308 29.66291       1.056752  32.36079       1.138834  -2.420414      1.394541  
1 1 1 26  4  1  o 47.78866 0.6400610 22.74175       0.6100176 24.36758       0.9053617 21.38995       0.8255429 3.112144       1.280122  
1 1 1 26  4  2  o 53.38972 0.7442641 28.45409       0.7825038 28.08274       1.017894  28.99062       1.223519  -0.8399162     1.488528  
1 1 1 26  4  3  f 77.88240 0.9670385 60.78268       1.488653  60.85879       1.961657  60.67935       2.285887  0.1370926      1.934077  
1 1 1 26  4  4  o 31.81256 0.7283369 10.13211       0.4633294 10.34478       0.6553114 9.919518       0.6551821 0.6683865      1.456674  
1 1 1 26  4  5  o 59.60589 1.002080  35.59706       1.194531  35.35656       1.678633  35.84378       1.700216  -0.4071770     2.004159  
1 1 1 26  4  6  o 20.26626 0.6421843 4.012217       0.2561139 4.662953       0.4092841 3.593408       0.3283449 2.634871       1.284369  
1 1 1 26  4  7  o 17.88509 0.6113787 3.206147       0.2183390 3.312410       0.3036444 3.092381       0.3141809 0.6156311      1.222757  
1 1 1 26  4  8  o 45.18541 0.6275066 20.42717       0.5669477 21.02636       0.8109228 19.85425       0.7929495 1.296059       1.255013  
1 1 1 26  4  9  f 16.74510 0.6260497 2.786112       0.2080192 2.653346       0.2747938 2.964311       0.3183578 -0.9261684     1.252099  
1 1 1 26  4  10 o 84.01296 0.9491440 70.73789       1.594694  71.43362       2.271905  70.06221       2.238934  0.8133240      1.898288  
1 1 1 26  4  11 o 53.02705 0.7447807 28.16633       0.7806968 28.13428       1.198497  28.18995       1.028942  -0.6487656E-01 1.489561  
1 1 1 26  4  12 o 71.59872 1.212878  51.31137       1.732811  53.97503       2.558543  49.05428       2.355196  3.410744       2.425756  
1 1 1 26  4  13 o 22.83629 0.8747182 5.711837       0.3362777 6.229958       0.3935688 4.310608       0.6472313 4.224003       1.749436  
1 1 1 26  4  14 o 104.2385 1.144494  109.1002       2.385997  109.3481       3.380410  108.8540       3.368242  0.2354584      2.288988  
1 1 1 26  4  15 o 41.21254 0.6069361 16.89427       0.4983529 15.77203       0.6698824 18.28515       0.7457634 -3.043610      1.213872  
1 1 1 26  4  16 o 61.11179 0.7493457 37.41012       0.9156795 36.99987       1.279203  37.84124       1.311327  -0.6854286     1.498691  
1 1 1 26  4  17 o 19.73232 0.6267365 3.798526       0.2436332 3.043507       0.3186620 4.860804       0.3779814 -4.600067      1.253473  
1 1 1 26  4  18 f 75.39790 0.8751266 57.00020       1.319370  56.35455       1.843108  57.67876       1.889499  -0.8726654     1.750253  
1 1 1 26  4  19 o 5.941444 1.350915  0.3408281      0.1797280 0.3101715      0.2340291 0.3849038      0.2806133 -0.6079383     2.701829  
1 1 1 26  4  20 o 21.51546 0.6264824 4.639044       0.2689669 4.674498       0.3689167 4.598815       0.3929755 0.1780586      1.252965  
1 1 1 26  4  21 o 14.01198 0.8077201 2.004836       0.2217615 2.391349       0.3076577 1.586849       0.3199388 2.872189       1.615440  
1 1 1 26  4  22 o 35.23437 0.6053529 12.36253       0.4252305 11.52760       0.5741932 13.37661       0.6328033 -2.618267      1.210706  
1 1 1 26  4  23 o 44.69541 0.6420105 19.97841       0.5732577 20.83329       0.8352097 19.21696       0.7882449 1.802952       1.284021  
1 1 1 26  4  24 o 45.34180 0.7070808 20.37919       0.6279801 19.52818       0.8027297 21.72152       1.008165  -2.393105      1.414162  
1 1 1 26  4  25 o 9.744956 1.385507  0.9641292      0.2583028 0.7919949      0.3356873 1.213987       0.4044339 -2.117676      2.771014  
1 1 1 26  4  26 f 4.792379 1.333413  0.2614537E-01  0.2041750 -0.1996986     0.2711566 0.3218521      0.3102748 -2.390470      2.666825  
1 1 1 26  4  27 o 26.29748 0.8799806 7.080392       0.4110513 6.649824       0.7773788 7.247498       0.4842917 -1.185938      1.759961  
1 1 1 26  4  28 o 27.56761 0.8341935 7.304585       0.4398469 6.596428       0.5372775 8.743670       0.7659097 -3.853514      1.668387  
1 1 1 26  4  29 f 9.063484 1.277836  0.8467981      0.2272168 0.4916662      0.3093058 1.263090       0.3348823 -4.272317      2.555672  
1 1 1 26  4  30 o 20.06502 0.7134169 4.039661       0.2857600 4.046355       0.3925060 4.032111       0.4168424 0.3944016E-01  1.426834  
1 1 1 26  4  31 o 13.58364 0.9124734 1.846893       0.2472769 1.725522       0.3357396 1.990786       0.3655659 -0.9697504     1.824947  
1 1 1 26  4  32 o 23.22220 0.6857981 5.407893       0.3180691 5.364044       0.4375722 5.457018       0.4631521 -0.1958504     1.371596  
1 1 1 26  4  33 f 40.63263 0.9796389 16.65681       0.7914146 16.29645       1.177987  16.95328       1.068469  -0.8353119     1.959278  
1 1 1 26  5  0  o 77.60397 0.8894628 60.20633       1.378782  62.31226       2.012023  58.34183       1.893184  2.551315       1.778926  
1 1 1 26  5  1  o 24.74594 0.5410982 6.115552       0.2675315 5.776665       0.3697834 6.487757       0.3875339 -1.436132      1.082196  
1 1 1 26  5  2  o 58.52446 0.7202467 34.04027       0.8391564 36.81792       1.263000  31.84497       1.122822  4.241528       1.440493  
1 1 1 26  5  3  o 21.99443 0.5498667 4.837116       0.2417964 4.699759       0.3367955 4.983218       0.3473523 -0.6439800     1.099733  
1 1 1 26  5  4  o 17.84580 0.5793034 3.191881       0.2057683 3.594558       0.2936947 2.803650       0.2883788 2.215736       1.158607  
1 1 1 26  5  5  f 47.21123 0.6352758 22.25060       0.5990150 23.42954       0.8755575 21.21323       0.8213124 2.344707       1.270552  
1 1 1 26  5  6  o 46.90223 0.7875818 21.84309       0.7245747 21.12261       0.9304208 22.95341       1.155029  -1.937897      1.575164  
1 1 1 26  5  7  o 30.26158 0.6840397 9.168519       0.4138396 9.499922       0.5870680 8.841172       0.5834638 1.088223       1.368079  
1 1 1 26  5  8  o 21.39003 0.6026937 4.613209       0.2556996 3.997199       0.3659368 5.200948       0.3574405 -2.814241      1.205387  
1 1 1 26  5  9  o 76.94617 1.105418  58.72076       1.569049  61.11959       2.859253  57.68710       1.876901  2.134918       2.210836  
1 1 1 26  5  10 f 29.42295 0.9187245 8.678771       0.5404609 8.766248       0.7572122 8.587926       0.7716464 0.3043003      1.837449  
1 1 1 26  5  11 f 46.58862 0.8681427 21.89082       0.7839165 22.33440       0.9983221 21.17747       1.266017  1.265129       1.736285  
1 1 1 26  5  12 o 51.86754 0.9112822 27.03593       0.9199862 27.26609       1.175839  26.67264       1.477260  0.6006508      1.822564  
1 1 1 26  5  13 o 80.27137 0.9153429 64.59371       1.469433  65.11859       2.091753  64.08231       2.064696  0.6428223      1.830686  
1 1 1 26  5  14 o 15.66824 0.6521841 2.466279       0.2031271 2.539140       0.2749577 2.378737       0.3013884 0.5138254      1.304368  
1 1 1 26  5  15 o 25.33501 0.5735709 6.416643       0.2900151 6.293025       0.3958391 6.559896       0.4261194 -0.5246086     1.147142  
1 1 1 26  5  16 o 20.00521 0.5996177 4.008149       0.2390103 4.018038       0.3244884 3.996419       0.3533799 0.5621529E-01  1.199235  
1 1 1 26  5  17 o 20.09953 0.6026754 4.022137       0.2411528 3.818335       0.3229265 4.279082       0.3625927 -1.142988      1.205351  
1 1 1 26  5  18 o 24.22363 0.5879906 5.771318       0.2822936 4.948090       0.3724409 6.882808       0.4327624 -3.988634      1.175981  
1 1 1 26  5  19 o 27.48677 0.5769162 7.566338       0.3168198 7.590482       0.4385199 7.539975       0.4582317 0.9346962E-01  1.153832  
1 1 1 26  5  20 f 41.85349 0.6244864 17.37040       0.5195125 16.03877       0.6894538 19.11969       0.7902136 -3.671413      1.248973  
1 1 1 26  5  21 o 33.34806 0.5944364 11.14046       0.3963178 11.48748       0.5603308 10.79308       0.5606252 1.041172       1.188873  
1 1 1 26  5  22 o 32.21410 0.6010718 10.36482       0.3864826 11.33260       0.5621894 9.497587       0.5321822 2.845203       1.202144  
1 1 1 26  5  23 o 19.96829 0.6621658 3.896925       0.2604606 3.105879       0.3414391 4.997939       0.4028175 -4.730576      1.324332  
1 1 1 26  5  24 o 13.96372 0.7931323 1.983294       0.2181115 2.313596       0.3030162 1.628159       0.3142002 2.455895       1.586265  
1 1 1 26  5  25 o 15.69542 0.7574098 2.456903       0.2360022 2.066378       0.3218525 2.911072       0.3470895 -2.687432      1.514820  
1 1 1 26  5  26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  5  27 o 12.56848 1.173179  1.419138       0.2709878 1.188228       0.3163455 2.055650       0.5252228 -3.401108      2.346358  
1 1 1 26  5  28 o 26.73538 0.6312192 7.168462       0.3373810 7.358669       0.4752798 6.975268       0.4789996 0.7175522      1.262438  
1 1 1 26  5  29 o 15.58905 0.8000201 2.458064       0.2472942 2.780142       0.3459773 2.121636       0.3536010 2.113411       1.600040  
1 1 1 26  5  30 o 42.96024 0.6584248 18.44456       0.5647234 19.67085       0.8286309 17.38104       0.7716854 2.656345       1.316850  
1 1 1 26  5  31 o 14.08616 0.9119719 2.047600       0.2489876 2.556871       0.3464462 1.503533       0.3580856 3.741492       1.823944  
1 1 1 26  5  32 o 26.11754 0.6556040 6.847242       0.3420789 7.198662       0.4829267 6.493350       0.4846231 1.350534       1.311208  
1 1 1 26  5  33 f 38.52241 1.938125  0.000000       0.000000  ?              ?         15.04374       1.493225  ?              ?         
1 1 1 26  6  0  o 16.87879 0.5822213 2.840079       0.1958762 2.528525       0.2688748 3.192417       0.2859329 -1.965964      1.164443  
1 1 1 26  6  1  o 68.87273 0.8092494 47.26005       1.110968  50.31288       1.655870  44.76085       1.498223  4.021683       1.618499  
1 1 1 26  6  2  o 54.75731 0.6895178 29.97198       0.7545608 31.05847       1.093172  28.98327       1.042827  1.892475       1.379036  
1 1 1 26  6  3  o 31.97758 0.5456737 10.07579       0.3462262 8.957438       0.4564696 11.59073       0.5312758 -4.114523      1.091347  
1 1 1 26  6  4  o 55.20665 0.6920481 30.50512       0.7640176 30.33538       1.070817  30.68111       1.090417  -0.3121262     1.384096  
1 1 1 26  6  5  o 50.18456 0.6542647 25.02484       0.6535405 23.42290       0.8736568 27.06021       0.9847811 -3.618252      1.308529  
1 1 1 26  6  6  o 50.90741 0.6602533 25.94244       0.6721959 26.00181       0.9460984 25.88191       0.9552243 0.1182594      1.320507  
1 1 1 26  6  7  o 66.61518 0.9935843 44.59801       1.236980  44.14975       2.173878  44.81265       1.504250  -0.5529175     1.987169  
1 1 1 26  6  8  f 78.98727 2.714689  62.96505       4.288517  62.96505       4.288517  ?              ?         ?              ?         
1 1 1 26  6  9  o 36.07833 1.000533  13.03380       0.7219510 13.03380       0.7219510 ?              ?         ?              ?         
1 1 1 26  6  10 o 66.81224 0.9470016 44.86755       1.213653  44.34427       2.020633  45.16286       1.517965  -0.6600037     1.894003  
1 1 1 26  6  11 o 49.11557 0.6504197 24.14631       0.6388192 24.64980       0.9124619 23.66228       0.8946547 1.004093       1.300839  
1 1 1 26  6  12 f 61.87933 0.7504212 38.34787       0.9286113 38.87437       1.325153  37.83986       1.301672  0.8340454      1.500842  
1 1 1 26  6  13 o 38.25208 0.5848271 14.61567       0.4466673 14.12194       0.6106821 15.18367       0.6550108 -1.384922      1.169654  
1 1 1 26  6  14 o 41.10514 0.6043460 16.87975       0.4960361 16.29975       0.6785786 17.54532       0.7269151 -1.511681      1.208692  
1 1 1 26  6  15 o 63.56074 0.7711494 40.44448       0.9797493 41.65095       1.414802  39.33279       1.358087  1.818169       1.542299  
1 1 1 26  6  16 f 34.28140 0.9509946 11.77995       0.6516776 11.44769       0.9036816 12.13995       0.9406524 -1.005096      1.901989  
1 1 1 26  6  17 o 31.48543 0.5732648 9.909595       0.3604340 9.652424       0.4937663 10.20294       0.5273508 -0.8716393     1.146530  
1 1 1 26  6  18 o 10.86029 0.8448541 1.242094       0.1745012 1.494583       0.2310823 0.9070609      0.2661886 2.708818       1.689708  
1 1 1 26  6  19 o 19.77462 0.6117072 3.896363       0.2407294 3.728616       0.3220829 4.108674       0.3623489 -0.9574165     1.223414  
1 1 1 26  6  20 o 44.25729 0.6396558 19.55008       0.5651399 20.86080       0.8301446 18.41792       0.7715276 2.754360       1.279312  
1 1 1 26  6  21 o 17.89453 0.6502457 3.171870       0.2313283 2.871513       0.3075154 3.563386       0.3510939 -1.928776      1.300491  
1 1 1 26  6  22 o 16.01181 0.7338342 2.528193       0.2318398 2.330198       0.2998381 2.822558       0.3655961 -1.529236      1.467668  
1 1 1 26  6  23 o 33.83089 0.6083255 11.46989       0.4114669 11.64977       0.5775329 11.28447       0.5863719 0.5408363      1.216651  
1 1 1 26  6  24 o 6.999400 1.527084  0.4514731      0.2317779 0.6817962      0.3852292 0.3207896      0.2901756 2.188993       3.054168  
1 1 1 26  6  25 o 50.01628 1.045790  25.13804       1.045548  25.84691       1.509799  24.48484       1.449312  1.349777       2.091580  
1 1 1 26  6  26 o 7.065163 1.172196  0.5399844      0.1949413 0.9199255      0.2567896 0.2319070E-01  0.2994869 5.003865       2.344391  
1 1 1 26  6  27 o 30.99385 0.7750632 9.639470       0.4787662 9.632385       0.6503907 9.647851       0.7073445 -0.1577950E-01 1.550126  
1 1 1 26  6  28 o 29.88121 0.6432259 8.907008       0.3832091 9.519553       0.5701491 8.402287       0.5175415 1.861958       1.286452  
1 1 1 26  6  29 o 42.58673 0.6491575 18.15160       0.5523005 18.88048       0.8045307 17.50194       0.7595501 1.611973       1.298315  
1 1 1 26  6  30 f 14.98424 0.8376294 2.286038       0.2474180 2.643792       0.3430877 1.898381       0.3571389 2.490074       1.675259  
1 1 1 26  6  31 o 12.55047 0.9342449 1.573169       0.2335708 1.452177       0.3137858 1.723506       0.3497749 -1.072487      1.868490  
1 1 1 26  6  32 o 12.23407 1.075202  1.485842       0.2571025 1.406847       0.3266586 1.614441       0.4167878 -0.8245592     2.150404  
1 1 1 26  7  0  o 121.0377 1.307930  146.8216       3.163191  150.9054       4.595386  143.1443       4.360692  3.184525       2.615861  
1 1 1 26  7  1  o 61.73548 0.7448763 38.14647       0.9195073 37.78673       1.284773  38.52422       1.316570  -0.5956421     1.489753  
1 1 1 26  7  2  o 11.05635 0.5423641 1.230434       0.1189994 1.294462       0.1612490 1.153858       0.1763434 0.6364326      1.084728  
1 1 1 26  7  3  o 31.96390 0.5308478 10.21163       0.3390952 9.949793       0.4684439 10.49988       0.4914920 -0.8595619     1.061696  
1 1 1 26  7  4  o 21.75594 0.7850914 4.436445       0.2702005 5.246171       0.6378363 4.259357       0.2982872 2.247503       1.570183  
1 1 1 26  7  5  o 27.74982 0.9844558 7.729153       0.5448865 8.415657       0.7727317 7.050221       0.7684580 2.459913       1.968912  
1 1 1 26  7  6  o 18.76756 1.166813  3.536107       0.4375671 3.601165       0.6094927 3.466912       0.6285750 0.3595638      2.333626  
1 1 1 26  7  7  o 19.79388 0.5067307 3.930398       0.2000165 4.239647       0.2812220 3.613811       0.2845394 1.581034       1.013461  
1 1 1 26  7  8  o 18.25735 0.5077288 3.282368       0.1837830 2.783202       0.2439146 3.937933       0.2795269 -3.160679      1.015458  
1 1 1 26  7  9  o 47.18111 0.6312949 22.27878       0.5955994 22.84590       0.8502973 21.73250       0.8345335 1.178925       1.262590  
1 1 1 26  7  10 o 31.26155 0.6493291 9.780615       0.4058458 10.14182       0.5801861 9.434524       0.5679158 1.130434       1.298658  
1 1 1 26  7  11 o 20.93619 0.5844991 4.394777       0.2443476 4.582183       0.3411951 4.197465       0.3500963 0.9193382      1.168998  
1 1 1 26  7  12 o 16.09451 0.5402703 2.614325       0.1724248 2.912877       0.2391468 2.291100       0.2488324 1.932212       1.080541  
1 1 1 26  7  13 o 23.28613 0.5292317 5.436552       0.2460531 5.716416       0.3447283 5.145903       0.3513081 1.225410       1.058463  
1 1 1 26  7  14 o 66.54504 0.7946705 44.35485       1.057304  45.34381       1.518413  43.42400       1.473122  1.438103       1.589341  
1 1 1 26  7  15 o 26.99285 0.5484200 7.299764       0.2957255 7.703521       0.4181694 6.895815       0.4182685 1.496153       1.096840  
1 1 1 26  7  16 o 77.34992 0.8918997 59.93793       1.378606  61.71471       2.000222  58.33018       1.902716  2.176147       1.783799  
1 1 1 26  7  17 o 34.18456 0.5751858 11.69293       0.3928265 11.54074       0.5415914 11.86188       0.5706261 -0.4674454     1.150372  
1 1 1 26  7  18 o 32.65927 0.5761567 10.64541       0.3754920 11.69941       0.5472744 9.707903       0.5161436 3.046373       1.152313  
1 1 1 26  7  19 o 41.63861 0.6171864 17.30171       0.5127702 16.48106       0.6966177 18.27217       0.7575400 -2.145287      1.234373  
1 1 1 26  7  20 o 6.878988 1.635670  0.4950550      0.2220455 0.4950550      0.2220455 ?              ?         ?              ?         
1 1 1 26  7  21 o 19.03658 0.6312153 3.665231       0.2376763 4.214860       0.3323405 3.089832       0.3400421 2.955706       1.262431  
1 1 1 26  7  22 o 24.57907 0.5931885 6.052481       0.2912605 6.065067       0.4025311 6.038648       0.4219649 0.5576515E-01  1.186377  
1 1 1 26  7  23 f 31.26027 1.034484  9.792346       0.6454672 10.69396       0.9410444 8.991307       0.8870071 2.713488       2.068968  
1 1 1 26  7  24 o 35.39013 0.8216660 12.54548       0.5157481 12.51921       0.6030107 12.61703       0.9953602 -0.8129120E-01 1.643332  
1 1 1 26  7  25 o 24.96998 0.6166729 6.252277       0.3075328 6.658494       0.4361408 5.850588       0.4337036 1.617464       1.233346  
1 1 1 26  7  26 o 67.55502 0.8227274 45.79955       1.111338  45.26130       1.552074  46.36585       1.592025  -0.8109360     1.645455  
1 1 1 26  7  27 o 28.83786 0.6071540 8.338580       0.3500365 8.562778       0.4931368 8.110912       0.4969379 0.7839699      1.214308  
1 1 1 26  7  28 o 42.79258 0.8406760 18.36449       0.7180240 17.97594       0.9802393 18.81433       1.054726  -0.9658051     1.681352  
1 1 1 26  7  29 o 49.16885 0.7253026 24.25994       0.7089912 24.24380       1.061977  24.27292       0.9522961 -0.4785156E-01 1.450605  
1 1 1 26  7  30 f 11.05448 0.9785298 1.202488       0.2135969 0.9832141      0.2805690 1.504770       0.3294211 -2.347214      1.957060  
1 1 1 26  7  31 f 60.75339 0.7742515 37.04897       0.9405795 36.31163       1.314453  37.82269       1.346486  -1.237518      1.548503  
1 1 1 26  7  32 o 7.835862 2.439925  0.000000       0.000000  ?              ?         0.6252761      0.4229083 ?              ?         
1 1 1 26  8  0  o 118.6735 1.846326  141.6810       4.379510  144.9066       6.328952  138.7174       6.066507  2.573372       3.692651  
1 1 1 26  8  1  o 63.56770 1.145518  40.42236       1.454407  42.39585       2.125144  38.68365       1.994729  2.908920       2.291036  
1 1 1 26  8  2  o 42.01703 0.9592553 17.69437       0.8058689 17.94628       1.131524  17.43507       1.147996  0.6095543      1.918511  
1 1 1 26  8  3  o 13.12268 1.577980  1.769368       0.4024656 1.931571       0.5593035 1.595188       0.5795828 1.486484       3.155960  
1 1 1 26  8  4  o 79.91405 1.338813  64.13365       2.139749  64.56145       3.023548  63.70441       3.028581  0.5367966      2.677627  
1 1 1 26  8  5  o 74.37530 1.268958  55.51380       1.887203  56.48979       2.702283  54.58456       2.636739  1.273682       2.537916  
1 1 1 26  8  6  o 69.89671 1.221541  48.89871       1.704143  46.94489       2.321549  51.18160       2.509449  -3.010124      2.443083  
1 1 1 26  8  7  o 21.74498 1.132430  4.708175       0.4886458 3.944270       0.6626332 5.618780       0.7234660 -3.843832      2.264859  
1 1 1 26  8  8  o 27.53318 1.016568  7.521278       0.5567222 6.655821       0.7453614 8.613351       0.8372787 -3.545439      2.033137  
1 1 1 26  8  9  o 21.46343 1.114999  4.631107       0.4774033 5.017898       0.6756521 4.245464       0.6746495 1.799301       2.229999  
1 1 1 26  8  10 o 24.02823 1.071289  5.792298       0.5100814 6.888534       0.7385671 4.792566       0.7053096 4.357729       2.142578  
1 1 1 26  8  11 o 30.72472 1.390227  9.468483       0.8542870 9.468483       0.8542870 ?              ?         ?              ?         
1 1 1 26  8  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  8  13 o 39.92000 1.459276  0.000000       0.000000  ?              ?         15.99415       1.165086  ?              ?         
1 1 1 26  8  14 o 46.30680 1.018765  21.51407       0.9432131 21.17694       1.313926  21.87252       1.354824  -0.7457466     2.037530  
1 1 1 26  8  15 o 34.14986 0.5570611 11.66686       0.3801790 12.33136       0.5452271 11.03804       0.5303887 1.892498       1.114122  
1 1 1 26  8  16 o 13.43474 0.5684581 1.806390       0.1518177 1.800159       0.2036354 1.814186       0.2277955 -0.5034161E-01 1.136916  
1 1 1 26  8  17 o 24.89600 0.5408937 6.208855       0.2685350 6.834557       0.3834029 5.606347       0.3762305 2.466143       1.081787  
1 1 1 26  8  18 o 34.89840 0.6417741 12.16952       0.4413227 12.37355       0.6882666 12.02706       0.5751134 0.4858665      1.283548  
1 1 1 26  8  19 o 22.43323 0.5583488 5.043929       0.2499744 5.119746       0.3439409 4.959039       0.3639405 0.3598442      1.116698  
1 1 1 26  8  20 o 35.58332 0.5884317 12.65341       0.4182088 12.15142       0.5735903 13.22312       0.6110595 -1.502373      1.176863  
1 1 1 26  8  21 o 25.09532 0.8809050 6.345414       0.3663681 6.279147       0.7781954 6.364285       0.4152683 -0.2225170     1.761810  
1 1 1 26  8  22 o 61.94764 0.9809051 38.02516       1.106862  37.28783       1.311121  39.85417       2.064993  -1.943344      1.961810  
1 1 1 26  8  23 f 24.77748 1.133385  6.171615       0.5611623 5.825487       0.7799813 6.543025       0.8079649 -1.442299      2.266771  
1 1 1 26  8  24 o 54.08390 0.7109050 29.26992       0.7676938 28.35295       1.049958  30.32325       1.125322  -1.811386      1.421810  
1 1 1 26  8  25 o 12.84847 0.7969939 1.681355       0.2007208 1.807418       0.2652660 1.512491       0.3070118 1.154258       1.593988  
1 1 1 26  8  26 o 37.76891 0.6253521 14.28028       0.4717274 13.98034       0.6476238 14.61927       0.6884972 -0.8404732     1.250704  
1 1 1 26  8  27 f 33.64212 0.6134421 11.32559       0.4119732 11.05106       0.5628584 11.64236       0.6046166 -0.8731041     1.226884  
1 1 1 26  8  28 o 43.99603 0.6522542 19.39352       0.5736967 18.86067       0.7976528 19.96455       0.8257352 -1.250412      1.304508  
1 1 1 26  8  29 o 16.62242 0.8357408 2.759372       0.2728682 2.690689       0.3520195 2.862764       0.4319065 -0.5017624     1.671482  
1 1 1 26  8  30 o 40.78842 0.6711108 16.72277       0.5462812 16.04643       0.7885938 17.34676       0.7574627 -1.599243      1.342222  
1 1 1 26  8  31 o 4.901546 1.381840  0.1298850      0.2014226 0.2117016      0.2420277 -0.5446038E-01 0.3632960 0.3217683      2.763681  
1 1 1 26  9  0  o 52.79912 1.050951  27.94601       1.109731  28.23723       1.568281  27.65396       1.570516  0.5525322      2.101903  
1 1 1 26  9  1  o 89.84445 1.465573  81.11093       2.633406  81.71116       3.740066  80.52079       3.708532  0.6587372      2.931146  
1 1 1 26  9  2  o 13.43641 1.581734  1.836117       0.4126191 1.545439       0.5649135 2.168544       0.6041209 -2.506522      3.163468  
1 1 1 26  9  3  o 74.31893 1.274345  55.44032       1.894022  56.23090       2.697185  54.67121       2.660299  1.045334       2.548689  
1 1 1 26  9  4  o 107.9701 1.707147  117.3810       3.685620  119.1663       5.279716  115.6842       5.147312  1.592735       3.414295  
1 1 1 26  9  5  o 51.88596 1.047551  26.99373       1.086826  26.79197       1.518852  27.20543       1.555822  -0.3948746     2.095103  
1 1 1 26  9  6  o 91.76103 1.492630  84.69021       2.738748  86.00481       3.921824  83.43887       3.826293  1.384300       2.985260  
1 1 1 26  9  7  o 49.26677 1.033501  24.23163       1.015643  22.77792       1.376486  25.96885       1.504740  -3.224850      2.067002  
1 1 1 26  9  8  o 54.52423 1.076506  29.83172       1.173876  30.06815       1.658720  29.59449       1.661506  0.4346695      2.153013  
1 1 1 26  9  9  o 19.42413 1.247820  3.773133       0.4835531 3.450974       0.6600897 4.146240       0.7103701 -1.783022      2.495641  
1 1 1 26  9  10 o 7.929355 1.992751  0.5238711      0.4071905 0.7663981      0.5743504 0.2787873      0.5773700 1.794565       3.985502  
1 1 1 26  9  11 o 44.65626 1.012847  19.99712       0.9038920 19.72651       1.250306  20.29340       1.308255  -0.6279221     2.025694  
1 1 1 26  9  12 o 28.31415 1.056482  8.045767       0.5975382 8.010958       0.8241059 8.084352       0.8676694 -0.1240273     2.112965  
1 1 1 26  9  13 o 14.52999 2.282603  2.131007       0.6633237 2.131007       0.6633237 ?              ?         ?              ?         
1 1 1 26  9  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  9  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  9  16 f 24.58416 1.154114  6.037959       0.5656841 5.504034       0.7668971 6.675164       0.8377920 -2.370493      2.308228  
1 1 1 26  9  17 o 35.47766 1.022452  12.57265       0.7229704 11.85939       0.9741455 13.44722       1.078699  -2.222229      2.044903  
1 1 1 26  9  18 o 42.80730 1.037202  18.31535       0.8857831 19.97758       1.306247  16.90031       1.205217  3.578888       2.074404  
1 1 1 26  9  19 o 12.95785 1.861738  1.761399       0.4718467 1.976109       0.6425395 1.510094       0.6951450 2.035212       3.723475  
1 1 1 26  9  20 o 33.83435 1.042140  11.50673       0.7045994 12.15646       1.004272  10.87685       0.9888163 1.888229       2.084280  
1 1 1 26  9  21 o 36.23279 0.5804707 13.09707       0.4196898 12.36897       0.5705767 13.95537       0.6194991 -2.184166      1.160941  
1 1 1 26  9  22 o 33.59990 0.5779544 11.25842       0.3874501 10.58545       0.5261971 12.05535       0.5726156 -2.182602      1.155909  
1 1 1 26  9  23 o 47.71266 0.6593307 22.80094       0.6289123 22.26742       0.8742801 23.37308       0.9053671 -1.154858      1.318661  
1 1 1 26  9  24 o 8.907200 0.8995883 0.7776972      0.1582776 0.6684343      0.2055593 0.9368124      0.2480600 -1.498965      1.799177  
1 1 1 26  9  25 o 61.17036 0.7666314 37.51868       0.9374596 36.74693       1.301640  38.35043       1.351290  -1.302959      1.533263  
1 1 1 26  9  26 o 30.64155 0.9748415 9.455116       0.5463299 9.469619       0.6524071 9.421077       0.9995414 0.1530876      1.949683  
1 1 1 26  9  27 o 54.77088 0.7214959 30.08485       0.7901239 29.64207       1.101918  30.55342       1.133562  -0.8269310     1.442992  
1 1 1 26  9  28 o 29.50750 0.6108906 8.733012       0.3600411 8.828831       0.4981149 8.628184       0.5210063 0.3432331      1.221781  
1 1 1 26  9  29 o 41.21091 0.6365666 17.02245       0.5245175 16.52505       0.7321736 17.54684       0.7517743 -1.236584      1.273133  
1 1 1 26  9  30 o 25.25608 1.081643  0.000000       0.000000  ?              ?         6.404483       0.5463613 ?              ?         
1 1 1 26  9  31 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  10 0  o 43.12686 0.9942456 18.63873       0.8569723 18.54250       1.188463  18.74295       1.236870  -0.2283936     1.988491  
1 1 1 26  10 1  o 51.88253 1.046500  26.92315       1.083718  26.01451       1.477453  27.98138       1.594442  -1.885078      2.093000  
1 1 1 26  10 2  o 63.52615 1.155679  40.48578       1.468114  40.28716       2.057023  40.69199       2.095977  -0.3146820     2.311358  
1 1 1 26  10 3  o 77.02032 1.311535  59.58231       2.020169  59.41385       2.839251  59.75504       2.874986  -0.2172165     2.623071  
1 1 1 26  10 4  o 41.65974 1.000124  17.40773       0.8330347 17.72606       1.171004  17.08158       1.185304  0.7748756      2.000248  
1 1 1 26  10 5  o 107.6437 1.708876  116.7773       3.677659  118.9076       5.288106  114.7818       5.118052  1.887184       3.417752  
1 1 1 26  10 6  o 59.70449 1.126979  35.75003       1.344733  35.05777       1.859908  36.50826       1.946527  -1.204582      2.253958  
1 1 1 26  10 7  o 78.13972 1.333236  61.25103       2.080770  63.84077       3.040632  58.97013       2.853575  3.090385       2.666471  
1 1 1 26  10 8  o 22.24355 1.206515  4.977849       0.5319099 5.869727       0.7652335 4.144100       0.7398757 3.875668       2.413029  
1 1 1 26  10 9  o 33.51594 1.030786  11.28425       0.6898164 12.01435       0.9746853 10.55157       0.9764124 2.182415       2.061572  
1 1 1 26  10 10 o 49.42945 1.056426  24.40002       1.041634  26.34311       1.541838  22.76857       1.412792  3.599792       2.112851  
1 1 1 26  10 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  10 12 o 44.04195 1.265101  18.56343       1.038980  22.12584       1.907998  17.06183       1.238746  5.640636       2.530202  
1 1 1 26  10 13 o 49.75315 1.064380  24.80711       1.057376  23.99855       1.446103  25.73604       1.550008  -1.731346      2.128760  
1 1 1 26  10 14 o 31.55819 1.312101  10.40880       0.7792625 11.34829       0.9786193 8.780847       1.288212  4.121246       2.624202  
1 1 1 26  10 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  10 16 o 79.93449 1.966334  0.000000       0.000000  ?              ?         64.40337       3.143558  ?              ?         
1 1 1 26  10 17 o 50.78898 1.082177  25.90128       1.098770  26.96556       1.576912  24.89695       1.531858  2.029297       2.164354  
1 1 1 26  10 18 o 54.47440 1.109992  29.82288       1.208876  29.36845       1.682350  30.30801       1.738237  -0.8526764     2.219985  
1 1 1 26  10 19 f 43.26515 1.055900  18.81128       0.9132503 19.63443       1.304872  18.02096       1.278591  1.859909       2.111799  
1 1 1 26  10 20 o 60.15009 1.164029  36.39898       1.399649  35.64543       1.942891  37.21196       2.018053  -1.286785      2.328058  
1 1 1 26  10 21 o 36.34661 1.054677  13.27921       0.7665024 12.89947       1.073125  13.67474       1.095209  -1.062378      2.109354  
1 1 1 26  10 22 o 44.80553 1.065041  20.19331       0.9543788 20.21960       1.354004  20.16735       1.345428  0.5662918E-01  2.130083  
1 1 1 26  10 23 o 23.97274 1.212846  5.806586       0.5767473 4.891918       0.8051445 6.770571       0.8265650 -3.913271      2.425693  
1 1 1 26  10 24 o 56.45357 0.7253315 31.96047       0.8188662 31.65045       1.148039  32.28155       1.168331  -0.5559998     1.450663  
1 1 1 26  10 25 o 17.76978 0.5775866 3.149115       0.2045492 2.994861       0.2756229 3.338230       0.3051831 -0.9624004     1.155173  
1 1 1 26  10 26 o 46.41845 0.6588014 21.59937       0.6113908 21.40503       0.8516943 21.80599       0.8781885 -0.4280510     1.317603  
1 1 1 26  10 27 o 46.36755 0.6624750 21.56044       0.6143056 21.56412       0.8638116 21.55669       0.8737929 0.9521484E-02  1.324950  
1 1 1 26  10 28 o 23.21677 0.6026132 5.417219       0.2790776 5.782718       0.3909561 5.037475       0.3985027 1.606077       1.205226  
1 1 1 26  10 29 o 28.11275 1.215840  7.971991       0.6829452 8.467875       0.9871989 7.516833       0.9457918 1.678984       2.431680  
1 1 1 26  10 30 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  11 0  o 99.54781 1.605618  99.74226       3.196710  99.94060       4.520628  99.54390       4.521034  0.1993103      3.211236  
1 1 1 26  11 1  o 35.28869 1.027212  12.39011       0.7218476 11.45356       0.9675575 13.56573       1.084037  -2.981632      2.054423  
1 1 1 26  11 2  o 72.92107 1.275510  53.34079       1.858755  55.15435       2.695223  51.69589       2.566829  2.355560       2.551021  
1 1 1 26  11 3  o 25.19775 1.089480  6.376491       0.5484829 6.536256       0.7648379 6.207342       0.7869798 0.6550961      2.178960  
1 1 1 26  11 4  f 37.37238 1.027752  13.96956       0.7663614 15.40448       1.114360  12.68192       1.055621  3.636227       2.055504  
1 1 1 26  11 5  o 9.634810 2.115364  0.9253047      0.4477520 0.8277013      0.5967943 1.050995       0.6772416 -1.021391      4.230727  
1 1 1 26  11 6  o 50.28986 1.078105  25.38699       1.084013  25.79488       1.522353  24.96745       1.543926  0.8251419      2.156209  
1 1 1 26  11 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  11 8  f 33.22357 1.075778  11.08676       0.7142935 11.31923       0.9980134 10.84261       1.022768  0.7203636      2.151556  
1 1 1 26  11 9  f 57.55491 1.136354  33.12691       1.305202  35.69542       1.922498  30.93083       1.777666  4.119469       2.272709  
1 1 1 26  11 10 o 40.12350 1.044029  16.16844       0.8370345 16.35671       1.163121  15.96620       1.205508  0.4921532      2.088057  
1 1 1 26  11 11 o 56.39450 1.125044  31.75828       1.264962  34.60437       1.880221  29.40486       1.709757  4.584961       2.250087  
1 1 1 26  11 12 o 23.18017 1.244984  5.458652       0.5702862 6.321070       0.7982341 4.559533       0.8150416 3.802448       2.489968  
1 1 1 26  11 13 f 45.08560 1.054018  20.35680       0.9490830 21.68231       1.385309  19.18433       1.302891  2.758423       2.108035  
1 1 1 26  11 14 o 7.017005 2.028670  0.1726524      0.4532392 0.5145264E-01  0.6275777 0.3047853      0.6552729 -0.8413410     4.057340  
1 1 1 26  11 15 o 31.83755 1.089060  10.17618       0.6918765 10.04781       0.9443653 10.32493       1.016539  -0.4237499     2.178120  
1 1 1 26  11 16 o 39.31377 2.287734  15.62460       1.798789  15.62460       1.798789  ?              ?         ?              ?         
1 1 1 26  11 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  11 18 o 65.49825 1.222931  42.81539       1.592577  39.75082       2.116706  46.81339       2.417670  -5.328682      2.445863  
1 1 1 26  11 19 o 57.27630 1.145261  32.97264       1.310594  32.02140       1.804705  34.03410       1.906393  -1.736504      2.290522  
1 1 1 26  11 20 f 8.959327 1.966373  0.6103613      0.4778629 1.498203       0.6698588 -0.3096934     0.6819025 5.853334       3.932746  
1 1 1 26  11 21 o 34.21121 1.071035  11.75130       0.7314394 11.43546       0.9988884 12.11644       1.074016  -0.9805641     2.142070  
1 1 1 26  11 22 f 16.05831 1.708979  2.685622       0.5243106 3.310547       0.7450301 2.072444       0.7379943 4.062761       3.417958  
1 1 1 26  11 23 o 28.27461 1.184366  8.041352       0.6689273 8.391866       0.9760720 7.730931       0.9185577 1.155149       2.368732  
1 1 1 26  11 24 o 15.48775 1.841047  2.479627       0.5551676 2.158705       0.7673740 2.832062       0.8041688 -2.385993      3.682093  
1 1 1 26  11 25 o 59.68443 1.183602  35.84974       1.411062  34.22309       1.937220  37.68818       2.059474  -2.870815      2.367205  
1 1 1 26  11 26 o 41.61330 1.094254  17.42292       0.9100069 18.31724       1.315446  16.60212       1.260218  2.047138       2.188507  
1 1 1 26  11 27 o 40.14317 0.8803936 15.56984       0.5971582 17.39068       1.270319  15.05334       0.6765736 2.789177       1.760787  
1 1 1 26  11 28 o 57.86601 1.188622  33.77835       1.374148  34.70718       1.999412  32.94687       1.891734  1.488838       2.377245  
1 1 1 26  11 29 o 6.118976 2.795888  -0.4984052     0.7708030 -0.4984052     0.7708030 ?              ?         ?              ?         
1 1 1 26  12 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  12 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  12 2  o 23.08171 1.244678  5.315012       0.5725044 4.907049       0.7710483 5.816277       0.8546826 -1.958729      2.489356  
1 1 1 26  12 3  f 22.27990 1.250675  5.015070       0.5451701 6.404593       0.7889701 3.745389       0.7541800 5.963240       2.501351  
1 1 1 26  12 4  o 53.39513 1.097948  28.61449       1.172241  28.61683       1.640659  28.61205       1.675486  0.8563995E-02  2.195895  
1 1 1 26  12 5  o 18.58989 1.448769  3.509543       0.5205701 4.721143       0.7571853 2.423549       0.7168632 6.173443       2.897538  
1 1 1 26  12 6  o 56.11099 1.118328  31.58538       1.254468  32.78728       1.803180  30.45804       1.746355  2.068291       2.236656  
1 1 1 26  12 7  o 32.35158 1.083490  10.53311       0.6981709 11.65804       0.9891284 9.416177       0.9856066 3.464388       2.166980  
1 1 1 26  12 8  o 56.96430 1.125395  32.49763       1.280218  34.44321       1.873291  30.79267       1.753630  3.187675       2.250789  
1 1 1 26  12 9  o 21.47430 1.298238  4.604738       0.5552959 4.254289       0.7454288 5.041687       0.8323563 -1.818892      2.596476  
1 1 1 26  12 10 o 32.51913 1.075150  10.61426       0.6969635 11.81979       1.002305  9.485632       0.9698083 3.584270       2.150299  
1 1 1 26  12 11 o 42.57050 1.059586  18.16000       0.9005910 17.54985       1.230836  18.86305       1.321218  -1.529396      2.119171  
1 1 1 26  12 12 f 18.46082 1.423326  3.457224       0.5220106 3.781106       0.7231637 3.104862       0.7542886 1.837620       2.846653  
1 1 1 26  12 13 o 33.01209 1.078424  10.94588       0.7113219 10.87605       0.9829844 11.02263       1.030628  -0.2146683     2.156848  
1 1 1 26  12 14 o 9.258094 2.234466  0.7889790      0.4940606 0.6584289      0.6515436 0.9656111      0.7578611 -1.346954      4.468932  
1 1 1 26  12 15 o 40.04594 1.077626  16.02290       0.8599776 15.07283       1.157628  17.19289       1.284650  -2.626610      2.155252  
1 1 1 26  12 16 o 47.00726 1.092448  22.17323       1.025395  21.50703       1.403087  22.93691       1.502241  -1.503582      2.184895  
1 1 1 26  12 17 f 50.22376 1.550709  25.37180       1.557649  25.37180       1.557649  ?              ?         ?              ?         
1 1 1 26  12 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  12 19 f 12.22029 2.457042  1.437019       0.6329391 2.265138       1.032677  0.9387468      0.8010346 4.633449       4.914084  
1 1 1 26  12 20 o 14.62753 1.941669  2.243481       0.5465453 2.140319       0.7506551 2.359868       0.7973170 -0.7193022     3.883337  
1 1 1 26  12 21 o 19.71230 1.560883  3.998512       0.5898384 5.465445       0.8531549 2.655332       0.8163752 7.117090       3.121765  
1 1 1 26  12 22 o 27.96386 1.205532  7.888660       0.6737095 8.028724       0.9399081 7.740658       0.9661729 0.5213947      2.411063  
1 1 1 26  12 23 o 34.80724 1.152839  12.21745       0.8016497 12.95495       1.139273  11.49420       1.128216  2.095596       2.305679  
1 1 1 26  12 24 o 25.63044 1.289843  6.634569       0.6571394 7.651778       0.9482611 5.694699       0.9114997 3.807425       2.579685  
1 1 1 26  12 25 o 23.38260 1.373093  5.528665       0.6402263 4.969636       0.8907384 6.126122       0.9208453 -2.463692      2.746187  
1 1 1 26  12 26 o 37.90659 1.133325  14.46908       0.8583693 13.96059       1.182333  15.03579       1.248176  -1.400478      2.266650  
1 1 1 26  12 27 o 25.40145 1.281505  6.523420       0.6507458 6.801893       0.9330556 6.259679       0.9080412 1.059202       2.563010  
1 1 1 26  12 28 o 30.30471 1.210528  9.285951       0.7327506 9.501979       1.018469  9.054134       1.055030  0.7497101      2.421057  
1 1 1 26  13 0  o 27.89669 1.121132  7.812399       0.6249840 8.235639       0.8886559 7.398173       0.8791425 1.499895       2.242263  
1 1 1 26  13 1  o 15.75303 1.651051  2.605808       0.4882580 3.339644       0.6847886 1.846965       0.6963589 4.946751       3.302102  
1 1 1 26  13 2  o 34.20654 1.082625  11.40168       0.7297936 9.481131       0.9445319 14.24663       1.149587  -6.941650      2.165250  
1 1 1 26  13 3  o 22.24386 1.246522  4.976916       0.5537180 5.070820       0.7668121 4.874601       0.8004196 0.4457493      2.493043  
1 1 1 26  13 4  o 29.57793 1.098136  8.766039       0.6486942 8.481291       0.8891978 9.089999       0.9484504 -1.021479      2.196272  
1 1 1 26  13 5  o 47.47102 1.068476  22.62029       1.014281  22.54880       1.421150  22.69452       1.448047  -0.1500626     2.136951  
1 1 1 26  13 6  o 34.37055 1.051184  11.86049       0.7224129 12.17650       1.022267  11.54524       1.021027  0.9181557      2.102367  
1 1 1 26  13 7  f 34.23565 1.070332  11.76632       0.7319998 12.56175       1.045831  11.00242       1.024895  2.274498       2.140664  
1 1 1 26  13 8  o 34.54306 1.081327  11.97467       0.7448738 11.86128       1.013242  12.10801       1.098769  -0.3449287     2.162655  
1 1 1 26  13 9  o 42.50970 1.066185  18.15377       0.9056546 19.13658       1.286373  17.18785       1.275277  2.290501       2.132369  
1 1 1 26  13 10 o 34.66539 1.083211  12.08085       0.7500970 12.29776       1.041359  11.84696       1.081367  0.6561241      2.166422  
1 1 1 26  13 11 f 45.17883 1.080941  20.42183       0.9745382 22.33708       1.428162  18.75293       1.333149  3.952209       2.161881  
1 1 1 26  13 12 o 64.33271 1.219217  41.61393       1.567737  40.94374       2.172465  42.34219       2.264636  -1.070545      2.438435  
1 1 1 26  13 13 o 40.82846 1.087328  16.68161       0.8848689 15.95561       1.193809  17.56679       1.318205  -1.953251      2.174656  
1 1 1 26  13 14 o 29.93282 1.176902  9.056395       0.7009560 9.616458       0.9644727 8.429369       1.020501  1.992958       2.353805  
1 1 1 26  13 15 o 20.88582 1.392344  4.375725       0.5747060 3.512380       0.7819964 5.389665       0.8474588 -4.479301      2.784688  
1 1 1 26  13 16 o 25.84336 1.246813  6.769430       0.6405766 7.314512       0.8848557 6.169191       0.9285468 2.225330       2.493625  
1 1 1 26  13 17 o 16.61150 1.722089  2.820693       0.5670605 3.002826       0.7694893 2.604226       0.8388867 1.220707       3.444177  
1 1 1 26  13 18 o 26.72173 1.245993  7.184320       0.6635842 7.059378       0.8982399 7.334440       0.9845932 -0.4955692     2.491987  
1 1 1 26  13 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  13 20 o 9.860487 3.396501  0.000000       0.000000  ?              ?         0.9230568      0.8125464 ?              ?         
1 1 1 26  13 21 o 48.27534 1.148160  23.33866       1.104599  21.86628       1.487232  25.15017       1.649639  -3.363804      2.296319  
1 1 1 26  13 22 f 35.57605 1.125938  12.67076       0.7984661 11.59761       1.079302  13.96817       1.186731  -3.305351      2.251876  
1 1 1 26  13 23 o 21.26991 1.498091  4.491080       0.6283385 3.586891       0.8292551 5.710055       0.9628436 -4.946949      2.996182  
1 1 1 26  13 24 o 59.65097 1.208630  35.91339       1.441900  35.94574       2.034362  35.88073       2.043980  0.5711365E-01  2.417261  
1 1 1 26  13 25 o 19.62124 1.641633  3.918695       0.6422719 3.526722       0.8961612 4.332667       0.9209660 -2.044115      3.283266  
1 1 1 26  13 26 o 20.39131 1.536160  4.239524       0.6247057 4.501048       0.8716771 3.963357       0.8957494 1.327745       3.072320  
1 1 1 26  13 27 o 12.19214 2.314067  1.577060       0.5839348 1.210425       0.8051025 1.983997       0.8481990 -2.798196      4.628133  
1 1 1 26  13 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  14 0  o 27.49766 1.155632  7.548145       0.6334963 6.817115       0.8609421 8.411258       0.9354922 -2.889011      2.311264  
1 1 1 26  14 1  f 68.47191 1.248905  47.06068       1.708427  45.88495       2.351108  48.37600       2.486756  -1.799522      2.497810  
1 1 1 26  14 2  o 19.77422 1.389799  3.939658       0.5486628 4.214388       0.7765865 3.665861       0.7752679 1.386759       2.779598  
1 1 1 26  14 3  o 29.20927 1.129458  8.558269       0.6593265 8.131303       0.9154695 9.018407       0.9503663 -1.513754      2.258916  
1 1 1 26  14 4  o 25.91391 1.195931  6.746148       0.6187316 7.307202       0.8865100 6.213271       0.8639627 2.107338       2.391863  
1 1 1 26  14 5  o 41.96190 1.088249  17.57456       0.9097894 19.87114       1.342486  15.62401       1.237224  5.045952       2.176497  
1 1 1 26  14 6  o 68.93031 1.263749  47.68480       1.739875  50.02185       2.542279  45.62584       2.386238  3.162582       2.527497  
1 1 1 26  14 7  o 34.43161 1.114525  11.91837       0.7667474 12.54175       1.085508  11.29765       1.083185  1.806278       2.229050  
1 1 1 26  14 8  o 68.58477 1.257683  47.24727       1.722836  45.89952       2.363895  48.77422       2.516143  -2.069595      2.515367  
1 1 1 26  14 9  f 20.29684 1.412167  4.141078       0.5716331 3.724402       0.7884736 4.602735       0.8299423 -2.155560      2.824333  
1 1 1 26  14 10 o 69.44379 1.275537  48.51873       1.771050  49.69709       2.541964  47.40713       2.468918  1.635315       2.551075  
1 1 1 26  14 11 o 51.58861 1.125385  26.75250       1.161115  27.00229       1.646826  26.50558       1.637345  0.4798431      2.250771  
1 1 1 26  14 12 o 28.74780 1.178098  8.251292       0.6747293 7.405920       0.9122851 9.272138       1.002506  -3.229956      2.356195  
1 1 1 26  14 13 o 49.83985 1.134200  24.64377       1.121277  22.43405       1.474669  27.67215       1.726360  -5.209412      2.268400  
1 1 1 26  14 14 o 16.64450 1.809761  2.910697       0.5750074 3.326268       0.7802360 2.416685       0.8506911 2.985437       3.619521  
1 1 1 26  14 15 o 33.74041 1.147995  11.26478       0.7680712 9.844787       1.011859  13.19529       1.179815  -4.931211      2.295990  
1 1 1 26  14 16 o 25.43795 1.295158  6.544162       0.6568053 6.856130       0.9080995 6.201938       0.9511191 1.295662       2.590316  
1 1 1 26  14 17 o 37.55379 1.131444  14.20430       0.8491350 14.52258       1.186499  13.87014       1.215752  0.8746109      2.262889  
1 1 1 26  14 18 f 24.22424 1.331474  5.885692       0.6426828 5.256792       0.8729339 6.630055       0.9496913 -2.815229      2.662948  
1 1 1 26  14 19 o 22.25700 1.457155  5.063018       0.6418931 5.650970       0.8853358 4.411441       0.9320095 2.797937       2.914309  
1 1 1 26  14 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  14 21 o 18.23531 4.215768  0.000000       0.000000  ?              ?         3.636944       1.507955  ?              ?         
1 1 1 26  14 22 o 24.77185 1.393749  6.219584       0.6893889 6.570539       0.9697012 5.860937       0.9802711 1.435522       2.787499  
1 1 1 26  14 23 o 11.05819 2.360584  1.262204       0.5852515 1.689563       0.8214752 0.8217057      0.8340082 2.989969       4.721167  
1 1 1 26  14 24 f 49.79813 1.167818  25.00714       1.162610  25.75155       1.673936  24.31340       1.615953  1.427788       2.335636  
1 1 1 26  14 25 o 37.15596 1.177896  13.93772       0.8750957 14.13880       1.254746  13.74729       1.221085  0.5168457      2.355792  
1 1 1 26  14 26 o 8.518286 2.363162  0.3991319      0.6141813 0.8215258      0.8378174 -0.9155272E-01 0.9030085 2.080864       4.726323  
1 1 1 26  14 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  15 0  o 23.16929 1.311356  5.397820       0.6069781 5.353744       0.8371966 5.446661       0.8812932 -0.1934433     2.622712  
1 1 1 26  15 1  o 40.00010 1.083999  16.05639       0.8666313 15.79931       1.200311  16.33634       1.252562  -0.6641922     2.167997  
1 1 1 26  15 2  o 57.23379 1.160141  32.71188       1.322250  30.82763       1.772534  35.07590       1.985409  -3.679604      2.320282  
1 1 1 26  15 3  o 42.49284 1.104052  18.10517       0.9369897 19.49898       1.354686  16.82679       1.297379  3.135952       2.208103  
1 1 1 26  15 4  o 9.502850 2.253138  0.8666121      0.5050969 0.9294505      0.7194362 0.8055314      0.7093013 0.4672365      4.506277  
1 1 1 26  15 5  o 39.39108 1.087260  15.58876       0.8550336 15.61698       1.175207  15.55701       1.246324  0.8660889E-01  2.174520  
1 1 1 26  15 6  o 54.29189 1.154446  29.58517       1.252555  31.18176       1.808900  28.11451       1.736103  2.813267       2.308891  
1 1 1 26  15 7  o 24.79171 1.272946  6.193208       0.6304072 6.444320       0.8834043 5.932638       0.8998850 1.034906       2.545893  
1 1 1 26  15 8  o 10.16647 1.934721  0.8341385      0.5140378 -0.3455358     0.7129526 2.111295       0.7418254 -8.062492      3.869443  
1 1 1 26  15 9  o 49.70126 1.133304  24.83180       1.125996  24.77993       1.567652  24.88708       1.618357  -0.9938431E-01 2.266608  
1 1 1 26  15 10 o 38.54896 1.135196  14.88849       0.8734883 14.11419       1.190533  15.79128       1.285527  -2.159206      2.270391  
1 1 1 26  15 11 o 32.42280 1.166176  10.56905       0.7554387 10.43015       1.042099  10.72289       1.096693  -0.4414291     2.332351  
1 1 1 26  15 12 f 57.40853 1.186925  33.12737       1.361000  32.25038       1.868370  34.11881       1.986550  -1.603756      2.373850  
1 1 1 26  15 13 o 43.62760 1.124028  19.15702       0.9801886 19.28708       1.365514  19.01877       1.407848  0.3158264      2.248057  
1 1 1 26  15 14 o 16.80195 1.649757  2.854637       0.5511803 2.800750       0.7377661 2.922707       0.8291931 -0.3363533     3.299515  
1 1 1 26  15 15 o 23.69384 1.373706  5.627982       0.6485627 5.206525       0.8728860 6.147409       0.9690443 -1.962053      2.747411  
1 1 1 26  15 16 o 51.14791 1.170538  26.26039       1.194772  25.10291       1.625180  27.62171       1.762485  -2.432777      2.341076  
1 1 1 26  15 17 o 21.90975 1.476228  4.848351       0.6441274 4.760170       0.8682995 4.956262       0.9605352 -0.4211407     2.952456  
1 1 1 26  15 18 o 36.60850 1.189666  13.45359       0.8679920 12.88910       1.170480  14.14332       1.293819  -1.683754      2.379333  
1 1 1 26  15 19 o 40.81801 1.156836  16.79188       0.9440916 16.77069       1.318204  16.81420       1.352761  -0.4497528E-01 2.313671  
1 1 1 26  15 20 o 20.18766 1.628891  4.204581       0.6428905 5.194123       0.9076732 3.208422       0.9107034 4.919184       3.257781  
1 1 1 26  15 21 o 41.26028 2.640866  17.39440       2.179258  17.39440       2.179258  ?              ?         ?              ?         
1 1 1 26  15 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  15 23 o 19.31838 1.648013  3.799724       0.6364293 3.741880       0.8838773 3.862004       0.9171376 -0.2975807     3.296027  
1 1 1 26  15 24 o 7.470257 2.180609  -0.6441066E-01 0.5879084 -0.8971576     0.8591562 0.6688834      0.8062220 -3.065943      4.361219  
1 1 1 26  15 25 o 13.08064 3.506414  1.845997       0.9362585 1.845997       0.9362585 ?              ?         ?              ?         
1 1 1 26  16 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  16 1  o 32.32922 1.665501  0.000000       0.000000  ?              ?         10.50707       1.076887  ?              ?         
1 1 1 26  16 2  o 18.68417 1.554232  3.509138       0.5785145 3.097813       0.7934180 3.976053       0.8453336 -2.339291      3.108465  
1 1 1 26  16 3  o 25.49060 1.270521  6.494101       0.6439968 5.587727       0.8754375 7.563041       0.9507099 -3.861549      2.541042  
1 1 1 26  16 4  o 32.65527 1.163284  10.72330       0.7595293 10.87356       1.066425  10.56861       1.082018  0.4694519      2.326569  
1 1 1 26  16 5  o 31.51914 1.180585  9.998231       0.7436139 10.38325       1.046534  9.605618       1.056799  1.235331       2.361169  
1 1 1 26  16 6  o 30.08324 1.203014  9.105193       0.7235199 9.146182       1.010283  9.062037       1.036650  0.1444817      2.406027  
1 1 1 26  16 7  o 8.754097 2.111264  0.3365528      0.5377971 -0.5983329     0.7294782 1.449681       0.7959863 -5.963020      4.222528  
1 1 1 26  16 8  f 49.72745 1.152502  24.73987       1.142107  23.43731       1.537968  26.34134       1.705332  -2.890915      2.305005  
1 1 1 26  16 9  o 40.66446 1.121465  16.60668       0.9098127 16.32292       1.239100  16.93861       1.340175  -0.7390556     2.242929  
1 1 1 26  16 10 o 34.42922 1.174796  11.93887       0.8077312 12.75148       1.146697  11.13858       1.137962  2.340614       2.349592  
1 1 1 26  16 11 o 10.23532 2.302307  1.056637       0.5378528 1.269040       0.7421572 0.8216742      0.7805734 1.540339       4.604614  
1 1 1 26  16 12 o 41.39266 1.143642  17.20394       0.9441781 16.71975       1.281404  17.77906       1.396554  -1.256374      2.287284  
1 1 1 26  16 13 o 6.192190 1.970568  -0.3407236     0.5118659 -0.2668402     0.6900151 -0.4311330     0.7632944 -0.5858564E-01 3.941136  
1 1 1 26  16 14 o 15.78588 1.930112  2.541973       0.5868233 1.930821       0.7838232 3.321394       0.8851762 -4.600991      3.860225  
1 1 1 26  16 15 o 34.07690 1.184272  11.67262       0.8061016 11.15385       1.106582  12.25917       1.176641  -1.606022      2.368543  
1 1 1 26  16 16 o 16.10709 1.976741  2.601562       0.6120686 1.989682       0.7934939 3.500477       0.9617667 -4.856609      3.953483  
1 1 1 26  16 17 o 35.74489 1.219843  12.79103       0.8688374 11.57964       1.173456  14.26094       1.292612  -3.721287      2.439685  
1 1 1 26  16 18 o 36.09969 1.205455  13.13274       0.8696547 12.75116       1.201256  13.55298       1.260647  -1.094913      2.410910  
1 1 1 26  16 19 f 42.05749 1.185511  17.84385       0.9969271 17.82323       1.393564  17.86547       1.426758  -0.4148865E-01 2.371022  
1 1 1 26  16 20 o 34.95842 1.228772  12.33455       0.8590209 12.11896       1.204531  12.55768       1.225416  -0.6217613     2.457544  
1 1 1 26  16 21 o 59.42909 1.258681  35.66634       1.495509  36.45321       2.150499  34.92940       2.081145  1.261684       2.517361  
1 1 1 26  16 22 o 10.12628 4.225943  0.3544451      1.425698  0.3544451      1.425698  ?              ?         ?              ?         
1 1 1 26  16 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  16 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  17 0  o 16.85981 2.061807  2.780647       0.6581016 2.429467       0.8074573 3.475497       1.135795  -3.225543      4.123614  
1 1 1 26  17 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  17 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  17 3  o 35.55235 1.725728  0.000000       0.000000  ?              ?         12.71741       1.227074  ?              ?         
1 1 1 26  17 4  o 27.72781 1.278861  7.743534       0.7088123 8.026716       1.001481  7.459296       1.003345  1.023546       2.557721  
1 1 1 26  17 5  o 58.81694 1.211072  34.80873       1.424472  35.48468       2.018442  34.13803       2.010597  1.143360       2.422144  
1 1 1 26  17 6  o 26.50639 1.270451  7.103215       0.6704536 7.458634       0.9209123 6.702374       0.9779889 1.437767       2.540902  
1 1 1 26  17 7  o 18.31494 1.777300  3.413026       0.6144851 2.382961       0.8243979 4.700752       0.9217563 -6.505717      3.554600  
1 1 1 26  17 8  o 25.81879 1.331255  6.627920       0.6822349 5.698141       0.9080550 7.832980       1.033777  -4.105644      2.662510  
1 1 1 26  17 9  o 15.60070 1.992060  2.479048       0.5921583 1.442298       0.7832682 3.862067       0.9046652 -7.843572      3.984119  
1 1 1 26  17 10 o 8.702559 2.287660  0.5286769      0.5369577 0.2371293      0.7010035 0.9425982      0.8352649 -2.572113      4.575319  
1 1 1 26  17 11 o 14.78283 2.074301  2.362996       0.5993837 3.437862       0.8461416 1.280397       0.8491796 7.274705       4.148602  
1 1 1 26  17 12 o 41.42237 1.156699  17.18608       0.9554790 16.11246       1.292489  18.47986       1.418834  -2.831146      2.313398  
1 1 1 26  17 13 f 41.30659 1.157779  17.08834       0.9523780 16.20537       1.277435  18.19328       1.429006  -2.373066      2.315558  
1 1 1 26  17 14 o 16.93269 1.940633  3.002477       0.6339349 3.309903       0.8656794 2.646977       0.9309088 2.232061       3.881266  
1 1 1 26  17 15 o 53.39162 1.209654  28.70563       1.290639  30.37106       1.860147  27.15960       1.792227  2.991009       2.419307  
1 1 1 26  17 16 o 33.94258 1.219779  11.61881       0.8276455 11.45987       1.149623  11.78983       1.192488  -0.4749222     2.439558  
1 1 1 26  17 17 o 32.66539 1.257742  10.78454       0.8195291 11.78877       1.167743  9.809872       1.150429  3.024185       2.515484  
1 1 1 26  17 18 o 36.41894 1.267237  13.30408       0.9198301 12.18949       1.241577  14.66013       1.369480  -3.356209      2.534473  
1 1 1 26  17 19 o 22.11391 1.582197  4.971006       0.6988917 5.004831       0.9664904 4.933934       1.011832  0.1766758      3.164393  
1 1 1 26  17 20 o 46.42649 1.216573  21.78135       1.128983  22.53331       1.592452  21.02146       1.600827  1.630661       2.433147  
1 1 1 26  17 21 o 38.92859 1.251177  15.32305       0.9741050 15.42231       1.383820  15.22556       1.371448  0.2487869      2.502355  
1 1 1 26  17 22 o 54.79755 1.276059  30.35672       1.397231  32.15107       1.995028  28.62928       1.957475  3.201771       2.552118  
1 1 1 26  17 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  18 0  o 33.71114 1.180207  11.43880       0.7950460 11.72101       1.110969  11.14255       1.138258  0.8626823      2.360414  
1 1 1 26  18 1  o 26.83276 1.298097  7.259504       0.6954061 7.428102       0.9623959 7.075298       1.005955  0.6657600      2.596194  
1 1 1 26  18 2  o 28.08249 1.528008  7.922751       0.8079404 7.840427       0.9860945 8.090885       1.409238  -0.3494434     3.056016  
1 1 1 26  18 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  18 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  18 5  o 52.79881 1.710368  0.000000       0.000000  ?              ?         28.07385       1.806108  ?              ?         
1 1 1 26  18 6  o 27.60815 1.311002  7.647573       0.7199526 7.332667       0.9613464 8.049751       1.086421  -1.269995      2.622003  
1 1 1 26  18 7  o 53.43560 1.211529  28.77205       1.294308  29.50806       1.824444  28.02629       1.836473  1.389069       2.423057  
1 1 1 26  18 8  o 16.26023 1.972345  2.687279       0.6144044 1.935342       0.8154005 3.674982       0.9345295 -5.534706      3.944691  
1 1 1 26  18 9  o 51.48470 1.201436  26.70481       1.236845  27.05408       1.738994  26.34724       1.759513  0.6908455      2.402872  
1 1 1 26  18 10 o 27.33311 1.400920  7.577362       0.7579015 8.945049       1.083200  6.265609       1.060819  4.895773       2.801840  
1 1 1 26  18 11 o 63.07214 1.283031  40.13765       1.618325  40.40963       2.278468  39.86074       2.298984  0.4401512      2.566062  
1 1 1 26  18 12 o 42.95270 1.196778  18.46039       1.023808  17.12418       1.373386  20.13171       1.535987  -3.462418      2.393556  
1 1 1 26  18 13 o 24.88103 1.469920  6.283298       0.7292883 6.739714       1.022115  5.809968       1.040881  1.873894       2.939840  
1 1 1 26  18 14 o 30.03119 1.308717  9.099923       0.7853930 8.843897       1.084070  9.382762       1.139423  -0.8818226     2.617435  
1 1 1 26  18 15 o 22.93436 1.542974  5.401583       0.6975019 6.327889       0.9752376 4.431552       0.9979892 4.142008       3.085948  
1 1 1 26  18 16 o 22.31100 1.600433  5.110775       0.7014627 6.215693       0.9940414 4.014810       0.9900071 4.930885       3.200866  
1 1 1 26  18 17 o 37.68066 1.255359  14.11111       0.9384034 12.37664       1.238296  16.45092       1.438243  -5.349583      2.510718  
1 1 1 26  18 18 f 15.36903 2.204557  2.527888       0.6532690 2.646311       0.8986909 2.395202       0.9512736 0.8664808      4.409113  
1 1 1 26  18 19 o 38.36617 1.259947  14.88594       0.9667107 15.10063       1.367209  14.67130       1.367062  0.5594635      2.519895  
1 1 1 26  18 20 o 29.11821 1.384814  8.592656       0.8050848 8.598761       1.107060  8.585804       1.172915  0.4476166E-01  2.769627  
1 1 1 26  18 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  19 0  o 51.49800 1.189821  26.56336       1.222014  29.44493       1.796084  24.07975       1.667453  5.183945       2.379641  
1 1 1 26  19 1  o 22.92460 1.438951  5.335557       0.6561328 5.721185       0.9053725 4.908986       0.9522230 1.782841       2.877902  
1 1 1 26  19 2  o 33.44374 1.214133  11.28721       0.8104138 11.98352       1.137683  10.56991       1.154703  2.116985       2.428267  
1 1 1 26  19 3  f 34.92421 1.226594  12.26558       0.8555087 11.89272       1.172382  12.69027       1.251205  -1.124844      2.453187  
1 1 1 26  19 4  o 6.828705 3.009437  -0.2036008     0.7985798 -0.2036008     0.7985798 ?              ?         ?              ?         
1 1 1 26  19 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  19 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  19 7  o 48.34747 1.218721  23.53930       1.177770  24.68667       1.686088  22.44600       1.645877  2.308357       2.437442  
1 1 1 26  19 8  o 51.47585 1.229822  26.71816       1.265755  27.20616       1.780462  26.21951       1.799790  0.9628296      2.459644  
1 1 1 26  19 9  o 40.69172 1.217600  16.69633       0.9902862 16.77166       1.377774  16.61582       1.424339  0.2025566      2.435199  
1 1 1 26  19 10 o 36.54503 1.250517  13.48135       0.9119760 13.60513       1.252116  13.34149       1.330948  0.3803139      2.501034  
1 1 1 26  19 11 o 16.81169 2.042865  2.968865       0.6636473 3.337652       0.9179328 2.564998       0.9605983 2.583823       4.085730  
1 1 1 26  19 12 o 58.25715 1.277632  34.26608       1.488290  35.29389       2.124081  33.27483       2.085958  1.722385       2.555264  
1 1 1 26  19 13 o 30.23084 1.354679  9.283940       0.8154716 9.893768       1.128513  8.617545       1.179691  2.126238       2.709358  
1 1 1 26  19 14 o 24.07220 1.533648  5.885340       0.7369958 5.985628       1.017170  5.774503       1.069323  0.4561310      3.067297  
1 1 1 26  19 15 o 44.54355 1.231366  20.01771       1.095263  21.61862       1.572132  18.50791       1.526736  3.479149       2.462732  
1 1 1 26  19 16 o 9.154670 2.464600  0.6339800      0.6218466 0.5816738      0.8284012 0.7015015      0.9412078 -0.6698818     4.929199  
1 1 1 26  19 17 o 11.97539 2.591738  1.509401       0.6789200 1.369612       0.9426484 1.660069       0.9786384 -0.9844894     5.183475  
1 1 1 26  19 18 o 20.83448 1.730993  4.427755       0.7202561 4.347598       0.9888788 4.518327       1.051164  -0.3828373     3.461986  
1 1 1 26  19 19 o 41.09475 2.730333  17.32373       2.244047  17.32373       2.244047  ?              ?         ?              ?         
1 1 1 26  19 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  20 0  o 55.67215 1.235323  31.23080       1.374984  31.27150       1.920137  31.18797       1.969857  0.8584976E-01  2.470645  
1 1 1 26  20 1  o 48.95783 1.205891  24.11349       1.179896  25.41070       1.699722  22.90705       1.639176  2.544056       2.411782  
1 1 1 26  20 2  o 25.16620 1.398117  6.410878       0.7014251 6.630385       0.9646441 6.164613       1.021747  0.9395256      2.796234  
1 1 1 26  20 3  o 39.13975 1.204614  15.36210       0.9407688 14.35416       1.279250  16.54926       1.388331  -2.780575      2.409228  
1 1 1 26  20 4  o 41.43092 1.217151  17.26246       1.005681  16.85952       1.364917  17.74101       1.487466  -1.036404      2.434302  
1 1 1 26  20 5  o 59.71249 1.270894  35.87126       1.513924  34.73523       2.056520  37.21527       2.236853  -2.033249      2.541787  
1 1 1 26  20 6  o 66.31063 1.862143  44.39241       2.469598  44.39241       2.469598  ?              ?         ?              ?         
1 1 1 26  20 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  20 8  o 36.76158 3.117757  0.000000       0.000000  ?              ?         13.88727       2.292273  ?              ?         
1 1 1 26  20 9  o 74.24504 1.410731  55.77325       2.094563  56.90972       2.971709  54.65128       2.952701  1.515312       2.821463  
1 1 1 26  20 10 o 68.97411 1.368717  48.12662       1.887935  49.03877       2.688732  47.23952       2.651544  1.292976       2.737434  
1 1 1 26  20 11 f 30.83580 1.391677  9.700968       0.8478718 10.21403       1.133928  9.050359       1.276910  1.930738       2.783354  
1 1 1 26  20 12 o 24.84969 1.601956  6.338675       0.7872477 6.904655       1.070553  5.672222       1.161697  2.511793       3.203913  
1 1 1 26  20 13 o 37.22011 1.300622  13.99550       0.9654123 13.88891       1.314262  14.12041       1.422784  -0.2788506     2.601243  
1 1 1 26  20 14 o 56.21883 1.289803  31.90763       1.449004  33.69422       2.093941  30.26598       2.007212  3.022564       2.579605  
1 1 1 26  20 15 f 38.94920 1.299030  15.35460       1.011527  15.49356       1.414803  15.20929       1.446763  0.3752785      2.598060  
1 1 1 26  20 16 o 15.64189 2.274813  2.610660       0.6848305 2.503651       0.9230682 2.741675       1.021368  -0.6757011     4.549625  
1 1 1 26  20 17 f 18.48939 4.630712  3.807148       1.710278  3.807148       1.710278  ?              ?         ?              ?         
1 1 1 26  20 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  21 0  o 68.23399 1.345287  47.00589       1.835199  47.12265       2.562440  46.88294       2.629588  0.1924744      2.690573  
1 1 1 26  21 1  o 36.87030 1.263916  13.71706       0.9295218 13.79269       1.270975  13.63010       1.362921  0.2426300      2.527831  
1 1 1 26  21 2  o 40.03892 1.246509  16.13445       0.9962636 15.64892       1.359790  16.69711       1.463813  -1.283649      2.493019  
1 1 1 26  21 3  o 14.85360 2.276940  2.348610       0.6575798 2.106518       0.9141166 2.608242       0.9466533 -1.649716      4.553880  
1 1 1 26  21 4  o 20.99792 1.795237  4.626347       0.7226787 6.010124       1.011389  3.182807       1.032997  6.739799       3.590474  
1 1 1 26  21 5  f 13.43418 2.368569  1.974634       0.6368941 2.271235       0.8402628 1.574140       0.9763982 2.403893       4.737137  
1 1 1 26  21 6  o 25.94683 1.515896  6.850203       0.7836207 7.370357       1.093274  6.300625       1.123769  2.071186       3.031792  
1 1 1 26  21 7  o 28.73697 1.440946  8.444340       0.8200057 9.447004       1.134781  7.348645       1.186258  3.667339       2.881891  
1 1 1 26  21 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  21 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  21 10 o 47.40378 1.861027  0.000000       0.000000  ?              ?         22.71905       1.764394  ?              ?         
1 1 1 26  21 11 o 62.03966 1.333474  38.93344       1.653635  38.79059       2.298531  39.08671       2.380827  -0.2131882     2.666949  
1 1 1 26  21 12 f 38.52073 1.359287  15.04226       1.040862  15.17856       1.400976  14.87433       1.555055  0.4454880      2.718575  
1 1 1 26  21 13 o 48.94114 2.423381  24.45432       2.372060  24.45432       2.372060  ?              ?         ?              ?         
1 1 1 26  21 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  21 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  21 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  22 0  o 20.61018 1.730180  4.306235       0.7112629 4.141395       0.9644037 4.502830       1.053208  -0.8459187     3.460359  
1 1 1 26  22 1  o 44.09794 1.256296  19.63467       1.106530  19.82818       1.530410  19.42268       1.601767  0.4782181      2.512593  
1 1 1 26  22 2  o 45.50823 1.257399  20.84000       1.140567  20.12757       1.540484  21.70438       1.696837  -1.690342      2.514798  
1 1 1 26  22 3  o 53.76313 1.273838  29.20767       1.368027  29.37646       1.891617  29.02258       1.980831  0.3543358      2.547676  
1 1 1 26  22 4  o 72.45837 1.414708  52.94129       2.041842  50.82114       2.745494  55.56526       3.054334  -3.176102      2.829415  
1 1 1 26  22 5  o 26.53921 1.516020  7.098554       0.7996544 6.759496       1.063151  7.540264       1.213461  -1.420668      3.032040  
1 1 1 26  22 6  o 40.95449 1.277128  16.89331       1.041804  16.41279       1.402849  17.48420       1.555634  -1.264835      2.554256  
1 1 1 26  22 7  o 19.81913 1.851813  4.012432       0.7334839 3.969548       1.015719  4.059166       1.060324  -0.2073936     3.703626  
1 1 1 26  22 8  o 25.66951 2.331334  0.000000       0.000000  ?              ?         6.706897       1.196884  ?              ?         
1 1 1 26  22 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  22 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  22 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  22 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  22 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  23 0  o 36.82919 1.617954  13.32300       1.133415  15.27865       1.983702  12.37513       1.381040  3.726749       3.235908  
1 1 1 26  23 1  o 58.37489 1.597525  34.66074       1.786587  34.46605       2.983721  34.76956       2.230683  -0.5220947     3.195050  
1 1 1 26  23 2  o 27.08241 3.933975  0.000000       0.000000  ?              ?         7.691964       2.130831  ?              ?         
1 1 1 26  23 3  o 64.05104 3.022210  0.000000       0.000000  ?              ?         42.22666       3.871515  ?              ?         
1 1 1 26  23 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  23 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  23 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  23 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  23 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  23 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  23 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  23 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  24 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  24 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  24 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  24 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  24 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  24 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  24 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  24 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  25 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  25 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  25 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 26  25 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  0  0  o 7.439700 1.841925  0.7424985      0.2671575 0.4871092      0.3807041 0.9902870      0.3749961 -0.000000      0.000000  
1 1 1 27  0  1  o 44.13453 0.8830980 19.53075       0.7778788 19.16968       1.083586  19.91468       1.117365  -0.000000      0.000000  
1 1 1 27  0  2  o 37.43071 0.8348841 13.99939       0.6220253 13.20562       0.8433945 14.94615       0.9210837 -0.000000      0.000000  
1 1 1 27  0  3  o 8.831938 1.684262  0.9493549      0.2696817 0.5816545      0.3696925 1.367565       0.3942676 -0.000000      0.000000  
1 1 1 27  0  4  f 55.53467 0.9896624 30.88495       1.096321  29.99414       1.506098  31.88896       1.598927  -0.000000      0.000000  
1 1 1 27  0  5  o 12.27145 1.311851  1.595383       0.2817394 1.118149       0.3765368 2.202429       0.4246710 -0.000000      0.000000  
1 1 1 27  0  6  o 67.01079 1.126268  44.99872       1.506191  43.90578       2.077610  46.20948       2.186727  -0.000000      0.000000  
1 1 1 27  0  7  o 7.203856 1.827492  0.7132496      0.2640429 0.9488128      0.3606695 0.4411803      0.3876104 -0.000000      0.000000  
1 1 1 27  0  8  o 64.80406 1.100737  42.13811       1.424814  42.24211       2.017077  42.03454       2.012913  -0.000000      0.000000  
1 1 1 27  0  9  o 29.42958 0.8237268 8.706831       0.4830350 9.017634       0.6899413 8.408032       0.6764866 -0.000000      0.000000  
1 1 1 27  0  10 o 64.69431 1.100261  41.99916       1.421742  42.24773       2.020287  41.75529       2.001142  -0.000000      0.000000  
1 1 1 27  0  11 f 36.05080 0.8349856 13.03918       0.6003145 13.49410       0.8655707 12.61756       0.8332946 -0.000000      0.000000  
1 1 1 27  0  12 o 47.69568 0.9222685 22.83091       0.8783005 22.75378       1.243397  22.90773       1.240816  -0.000000      0.000000  
1 1 1 27  0  13 o 7.982044 1.646440  0.7994327      0.2973148 0.1819816      0.4131801 1.462444       0.4281528 -0.000000      0.000000  
1 1 1 27  0  14 o 17.61698 1.027097  3.168402       0.3562524 3.464191       0.5132543 2.893410       0.4948819 -0.000000      0.000000  
1 1 1 27  0  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  0  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  0  17 o 7.543961 2.004895  0.7711119      0.2799225 0.7678453      0.4373550 0.7733786      0.3643184 -0.000000      0.000000  
1 1 1 27  0  18 o 20.63777 0.9185582 4.347187       0.3724631 4.048685       0.5535241 4.594179       0.5035062 -0.000000      0.000000  
1 1 1 27  0  19 f 28.26118 0.8357300 8.059140       0.4692578 7.720837       0.6802018 8.366374       0.6482146 -0.000000      0.000000  
1 1 1 27  0  20 o 10.21481 1.692908  1.169979       0.2959904 1.422934       0.4722730 1.006343       0.3798490 -0.000000      0.000000  
1 1 1 27  0  21 f 49.59343 0.9488094 24.64121       0.9374975 25.58518       1.381599  23.83566       1.276297  -0.000000      0.000000  
1 1 1 27  0  22 o 5.024975 1.879911  0.3382117      0.2796378 0.5805482E-01  0.4257440 0.5507807      0.3708496 -0.000000      0.000000  
1 1 1 27  0  23 f 28.68251 0.8455297 8.295212       0.4820746 7.640171       0.6805418 8.954950       0.6829778 -0.000000      0.000000  
1 1 1 27  0  24 f 23.08395 0.8937502 5.362059       0.4086886 5.695603       0.6086465 5.088194       0.5515139 -0.000000      0.000000  
1 1 1 27  0  25 o 8.479715 2.062730  0.9440531      0.3133350 0.9194149      0.4704172 0.9637011      0.4200871 -0.000000      0.000000  
1 1 1 27  0  26 o 41.15289 0.9063320 17.01612       0.7436807 17.23420       1.078033  16.81809       1.027250  -0.000000      0.000000  
1 1 1 27  0  27 o 30.29358 0.8816900 9.260725       0.5310008 8.988593       0.7704341 9.506966       0.7328703 -0.000000      0.000000  
1 1 1 27  0  28 o 13.97648 1.358113  2.125208       0.3424151 1.740989       0.5193785 2.420600       0.4554006 -0.000000      0.000000  
1 1 1 27  0  29 o 6.865995 3.313186  0.7072222      0.5243741 0.7072222      0.5243741 0.7072222      0.5243741 -0.000000      0.000000  
1 1 1 27  0  30 o 9.376180 2.666791  1.075811       0.4328043 1.075811       0.4328043 1.075811       0.4328043 -0.000000      0.000000  
1 1 1 27  0  31 f 33.64019 0.9215416 11.43516       0.6156172 10.91351       0.8975648 11.89854       0.8459539 -0.000000      0.000000  
1 1 1 27  1  0  o 24.07300 0.5766769 5.796435       0.2775702 5.988627       0.3967838 5.612246       0.3884363 0.7814121      1.153354  
1 1 1 27  1  1  o 23.84532 0.5795013 5.689417       0.2760525 6.060511       0.3937751 5.330791       0.3871047 1.529835       1.159003  
1 1 1 27  1  2  o 41.96383 0.6085680 17.47884       0.5084863 16.09408       0.6811709 19.22168       0.7641834 -3.722828      1.217136  
1 1 1 27  1  3  o 59.52980 0.7311468 35.37057       0.8687738 37.17466       1.278804  33.82421       1.183936  2.808704       1.462294  
1 1 1 27  1  4  o 26.98624 0.5725209 7.213823       0.3072397 6.288897       0.4129344 8.360846       0.4598466 -3.836716      1.145042  
1 1 1 27  1  5  o 76.68636 0.8803842 58.76328       1.347742  61.32842       1.980940  56.55266       1.838959  3.103325       1.760768  
1 1 1 27  1  6  o 20.96550 0.6016290 4.399051       0.2522244 4.515430       0.3584793 4.284955       0.3549453 0.5494709      1.203258  
1 1 1 27  1  7  o 58.82701 0.7259866 34.64920       0.8540828 34.33010       1.198542  34.97841       1.217390  -0.5497742     1.451973  
1 1 1 27  1  8  o 27.26677 0.5755512 7.440623       0.3138450 7.319830       0.4411989 7.564354       0.4465369 -0.4480896     1.151102  
1 1 1 27  1  9  o 43.46824 0.6187287 18.89998       0.5376277 18.42675       0.7459040 19.41163       0.7756063 -1.130978      1.237457  
1 1 1 27  1  10 o 40.07080 0.6059349 16.05664       0.4853404 16.70208       0.6997669 15.45836       0.6737236 1.550240       1.211870  
1 1 1 27  1  11 o 73.53803 0.8538901 54.11277       1.254407  52.50711       1.724291  55.91792       1.828269  -2.309479      1.707780  
1 1 1 27  1  12 o 57.08353 0.7165158 32.54786       0.8166048 34.16446       1.198864  31.14863       1.115359  2.634785       1.433032  
1 1 1 27  1  13 o 62.17329 0.9318138 39.16457       1.104781  37.42458       1.846581  40.13460       1.378763  -2.230572      1.863628  
1 1 1 27  1  14 o 75.44141 1.243306  57.08973       1.872590  59.42872       2.749424  55.06595       2.557467  2.861549       2.486611  
1 1 1 27  1  15 o 22.21174 0.6238316 4.940912       0.2768208 4.943750       0.3826491 4.937796       0.4009600 0.1490784E-01  1.247663  
1 1 1 27  1  16 o 56.89897 0.7796878 32.59365       0.8818187 33.99728       1.198866  30.93911       1.301621  2.698185       1.559376  
1 1 1 27  1  17 o 37.21280 0.8289956 13.89143       0.6166776 14.14612       0.8638462 13.62674       0.8806234 0.6997833      1.657991  
1 1 1 27  1  18 o 27.97810 0.6839725 7.526811       0.3633393 8.838030       0.6414694 6.907414       0.4408823 3.430292       1.367945  
1 1 1 27  1  19 o 41.85665 0.6226514 17.54661       0.5211861 17.64417       0.7433624 17.45230       0.7309315 0.2280655      1.245303  
1 1 1 27  1  20 f 40.72661 0.6157458 16.61400       0.5015266 16.41587       0.7069848 16.81471       0.7115688 -0.4892120     1.231492  
1 1 1 27  1  21 o 17.12603 0.6975549 2.939731       0.2363148 2.389300       0.3262288 3.547447       0.3427847 -3.379278      1.395110  
1 1 1 27  1  22 o 18.09393 0.6912943 3.281438       0.2501526 3.308089       0.3559066 3.255418       0.3516697 0.1450329      1.382589  
1 1 1 27  1  23 o 23.36245 0.6230600 5.442178       0.2897833 6.235250       0.4248713 4.752341       0.3962545 3.170536       1.246120  
1 1 1 27  1  24 o 16.30120 0.7593434 2.665754       0.2473575 2.809353       0.3517721 2.525305       0.3478928 0.8706932      1.518687  
1 1 1 27  1  25 f 47.78441 0.6680788 22.66906       0.6350057 25.08257       0.9611294 20.79944       0.8459281 4.466415       1.336158  
1 1 1 27  1  26 o 37.76668 0.6231607 14.28994       0.4705831 14.71399       0.6728034 13.88380       0.6584392 1.097225       1.246321  
1 1 1 27  1  27 o 17.78263 0.7304881 3.172776       0.2597937 3.141700       0.3664235 3.204186       0.3683920 -0.1753731     1.460976  
1 1 1 27  1  28 o 7.780864 1.714617  0.5475593      0.2970859 0.8952038      0.4846978 0.3383639      0.3759928 2.885380       3.429233  
1 1 1 27  1  29 o 23.20388 0.7106411 5.400228       0.3270480 5.385185       0.4350807 5.419769       0.4958949 -0.6427956E-01 1.421282  
1 1 1 27  1  30 o 10.64737 1.478501  1.406994       0.2806978 1.761498       0.3393330 0.6386991      0.4995505 5.172143       2.957002  
1 1 1 27  1  31 o 18.49624 1.037277  3.413609       0.3799533 3.225455       0.4980914 3.675469       0.5876057 -1.193665      2.074554  
1 1 1 27  2  0  o 38.62859 0.5900627 14.92597       0.4557739 15.27081       0.6522570 14.59693       0.6371324 0.8716316      1.180125  
1 1 1 27  2  1  o 49.40448 0.6536003 24.42777       0.6457986 24.63076       0.9171907 24.22820       0.9094527 0.4070396      1.307201  
1 1 1 27  2  2  o 19.20988 0.6103938 3.691382       0.2343424 3.892647       0.3351233 3.498797       0.3278178 1.024792       1.220788  
1 1 1 27  2  3  o 45.49046 0.6292265 20.67381       0.5718554 19.90763       0.7866257 21.53256       0.8327993 -1.783718      1.258453  
1 1 1 27  2  4  o 47.93928 0.6454013 22.93167       0.6177239 24.25676       0.9068292 21.78448       0.8437632 2.575207       1.290803  
1 1 1 27  2  5  o 19.98485 0.6090448 3.989924       0.2430365 3.681844       0.3364458 4.326107       0.3514566 -1.611103      1.218090  
1 1 1 27  2  6  o 52.30112 0.6756796 27.38489       0.7067687 27.32490       0.9968666 27.44553       1.002199  -0.1150093     1.351359  
1 1 1 27  2  7  o 31.16016 0.5706992 9.718033       0.3555713 10.00924       0.5045979 9.430821       0.5011277 0.9279499      1.141398  
1 1 1 27  2  8  o 47.19387 0.6408114 22.10749       0.6017173 20.49387       0.8025600 24.17895       0.9093173 -3.897396      1.281623  
1 1 1 27  2  9  o 22.66258 0.5941333 5.142855       0.2691847 5.301013       0.3802196 4.983920       0.3811513 0.6996536      1.188267  
1 1 1 27  2  10 o 24.61657 0.5854437 6.049634       0.2877337 5.583648       0.3964667 6.568205       0.4182395 -1.998442      1.170887  
1 1 1 27  2  11 o 6.920390 1.574812  0.4303175      0.2316137 0.6011895      0.4237304 0.3575119      0.2765901 1.687985       3.149623  
1 1 1 27  2  12 o 29.10994 0.8797130 8.400584       0.5086830 7.195772       0.6829178 9.902164       0.7623999 -4.640572      1.759426  
1 1 1 27  2  13 o 51.17960 0.8347351 26.35551       0.8010340 26.54588       0.9776518 25.96667       1.397231  0.6072540      1.669470  
1 1 1 27  2  14 f 31.08396 0.5800712 9.657565       0.3603027 9.272662       0.4971593 10.08337       0.5229052 -1.302164      1.160142  
1 1 1 27  2  15 o 44.94342 0.6323264 20.20770       0.5679932 19.66057       0.7857665 20.80642       0.8219842 -1.271729      1.264653  
1 1 1 27  2  16 f 24.27693 0.5958852 5.883528       0.2887653 5.620636       0.3936772 6.189706       0.4248541 -1.169516      1.191770  
1 1 1 27  2  17 o 25.20685 0.6009957 6.364129       0.3024622 6.862164       0.4313676 5.882475       0.4242144 1.942699       1.201991  
1 1 1 27  2  18 o 73.12856 1.103964  53.56013       1.577892  52.88168       2.021061  54.61920       2.525129  -1.107246      2.207928  
1 1 1 27  2  19 o 31.78900 0.7957278 10.07839       0.5036815 11.51528       0.7398933 8.837421       0.6876040 4.205769       1.591456  
1 1 1 27  2  20 o 27.16774 0.5898464 7.360556       0.3194836 6.592876       0.4374818 8.237812       0.4676628 -3.024521      1.179693  
1 1 1 27  2  21 o 16.39558 0.7208915 2.698507       0.2354479 3.007062       0.3357541 2.399964       0.3302610 1.850725       1.441783  
1 1 1 27  2  22 o 40.76337 0.6202903 16.61430       0.5051790 15.83718       0.6959366 17.47989       0.7344827 -2.010712      1.240581  
1 1 1 27  2  23 o 25.94706 0.6119768 6.744908       0.3175522 6.870611       0.4507520 6.621047       0.4474395 0.4805470      1.223954  
1 1 1 27  2  24 o 52.46064 0.6957636 27.57047       0.7296108 28.24839       1.053132  26.94477       1.011762  1.237003       1.391527  
1 1 1 27  2  25 o 27.30067 0.6147643 7.468580       0.3356499 7.583180       0.4767668 7.355964       0.4726217 0.4156284      1.229529  
1 1 1 27  2  26 o 39.99562 0.6344627 16.01067       0.5071127 16.68223       0.7350203 15.40062       0.7005519 1.597561       1.268925  
1 1 1 27  2  27 o 22.43858 0.9908491 5.002563       0.4412391 5.580047       0.6773680 4.576903       0.5815476 2.214186       1.981698  
1 1 1 27  2  28 o 26.24159 0.6378620 6.900978       0.3346157 6.809111       0.4650008 6.999637       0.4818870 -0.3605995     1.275724  
1 1 1 27  2  29 o 37.25024 0.8717744 13.96726       0.6485286 14.53780       0.9063866 13.36877       0.9283229 1.573727       1.743549  
1 1 1 27  2  30 o 11.88574 1.007817  1.422881       0.2395716 1.420724       0.3381495 1.425055       0.3394653 -0.1788521E-01 2.015634  
1 1 1 27  2  31 o 9.727283 1.421457  1.084203       0.2606992 1.341075       0.3272161 0.6377779      0.4313711 3.625395       2.842914  
1 1 1 27  3  0  o 80.55025 0.9154215 64.96126       1.474252  66.12633       2.118601  63.86746       2.052770  1.397888       1.830843  
1 1 1 27  3  1  o 46.81625 0.6338296 21.91912       0.5931705 21.43370       0.8230550 22.44372       0.8556328 -1.077190      1.267659  
1 1 1 27  3  2  o 44.23419 0.6176397 19.57102       0.5462489 20.11634       0.7840346 19.05662       0.7614843 1.196789       1.235279  
1 1 1 27  3  3  o 75.61224 0.8705579 57.23944       1.315915  56.26605       1.828561  58.28507       1.895198  -1.330429      1.741116  
1 1 1 27  3  4  o 34.01183 0.5691904 11.57179       0.3870604 11.38594       0.5391770 11.76941       0.5559818 -0.5629311     1.138381  
1 1 1 27  3  5  o 24.71651 0.5676517 6.109089       0.2800556 6.655911       0.4022682 5.594775       0.3901277 2.146023       1.135303  
1 1 1 27  3  6  o 79.10844 0.9025749 62.70284       1.427905  63.32746       2.035631  62.09780       2.003478  0.7745895      1.805150  
1 1 1 27  3  7  o 17.37061 0.6409022 2.993001       0.2214895 2.620295       0.2984986 3.449602       0.3303907 -2.385147      1.281804  
1 1 1 27  3  8  f 28.89314 0.5633257 8.357656       0.3254474 8.525999       0.4588090 8.187180       0.4617089 0.5864964      1.126651  
1 1 1 27  3  9  o 35.11206 0.7409761 12.53513       0.4842207 11.83071       0.8469669 12.87717       0.5901858 -1.509583      1.481952  
1 1 1 27  3  10 o 25.57920 0.9021083 6.552644       0.4612460 6.373507       0.6393425 6.747077       0.6660794 -0.7276592     1.804217  
1 1 1 27  3  11 o 13.28649 1.310905  2.312884       0.2455740 2.710496       0.2822712 1.074986       0.4980570 6.335214       2.621810  
1 1 1 27  3  12 o 65.20437 0.7810087 42.59879       1.018432  42.38779       1.430427  42.81569       1.450340  -0.3263092     1.562017  
1 1 1 27  3  13 f 26.86522 0.5708295 7.233008       0.3062817 7.395933       0.4250701 7.057084       0.4417040 0.6318073      1.141659  
1 1 1 27  3  14 o 44.73954 0.6282116 19.96284       0.5606989 18.93270       0.7605950 21.18901       0.8298149 -2.516022      1.256423  
1 1 1 27  3  15 o 5.958150 1.337584  0.3287326      0.1825199 0.2095691      0.2422573 0.4851756      0.2775770 -1.786848      2.675169  
1 1 1 27  3  16 o 23.42258 0.6005461 5.450191       0.2802079 4.941452       0.3773658 6.075411       0.4183421 -2.417297      1.201092  
1 1 1 27  3  17 o 33.04143 0.5860738 10.92651       0.3870499 10.77719       0.5364400 11.08866       0.5589990 -0.4694672     1.172148  
1 1 1 27  3  18 o 19.52520 0.6513582 3.840709       0.2528250 4.234892       0.3527964 3.424548       0.3624981 2.076042       1.302716  
1 1 1 27  3  19 o 21.11726 0.6934327 4.535159       0.2866564 4.855371       0.3772159 4.097493       0.4410037 1.801012       1.386865  
1 1 1 27  3  20 o 38.47185 0.8149562 14.82949       0.6264046 15.81789       0.9011779 13.90551       0.8713165 2.481445       1.629912  
1 1 1 27  3  21 o 17.86842 0.6855001 3.192071       0.2438109 2.779753       0.3360686 3.650210       0.3542509 -2.433569      1.371000  
1 1 1 27  3  22 o 76.72823 0.8926686 59.10271       1.369793  59.45352       1.948657  58.76005       1.925902  0.4483185      1.785337  
1 1 1 27  3  23 o 49.94211 0.6753322 25.00022       0.6745495 24.95527       0.9539086 25.04518       0.9540055 -0.9000397E-01 1.350664  
1 1 1 27  3  24 o 46.43841 0.6540471 21.61522       0.6074448 21.65648       0.8622671 21.57457       0.8558820 0.8738327E-01  1.308094  
1 1 1 27  3  25 o 26.47630 0.7152329 7.111654       0.3681489 6.663501       0.5844496 7.406438       0.4740091 -1.418610      1.430466  
1 1 1 27  3  26 o 21.69032 1.038660  4.719807       0.4438656 4.827549       0.6933370 4.644985       0.5777854 0.3949242      2.077320  
1 1 1 27  3  27 o 23.71506 0.8259259 5.587144       0.3829911 5.372218       0.4882427 5.930942       0.6175082 -1.154451      1.651852  
1 1 1 27  3  28 o 17.87149 0.7383616 3.170298       0.2619528 2.685088       0.3522047 3.770972       0.3918773 -3.031397      1.476723  
1 1 1 27  3  29 o 23.04090 0.6712161 5.330039       0.3089876 5.580171       0.4354406 5.076351       0.4385248 1.093822       1.342432  
1 1 1 27  3  30 o 39.82908 0.6431509 15.88036       0.5118461 16.66442       0.7430515 15.17237       0.7060819 1.867161       1.286302  
1 1 1 27  3  31 o 24.83737 0.8211963 6.370319       0.3838045 6.756997       0.4773161 5.662960       0.6455818 2.236073       1.642393  
1 1 1 27  4  0  o 28.21255 0.7097167 7.966857       0.4004067 7.917470       0.5610681 8.018116       0.5715998 -0.1778297     1.419433  
1 1 1 27  4  1  o 38.98643 0.6925404 14.80652       0.5112276 16.46671       0.8990967 14.01332       0.6214678 3.131897       1.385081  
1 1 1 27  4  2  o 51.07329 0.6651757 25.96538       0.6770369 24.46401       0.9116816 27.81148       1.010943  -3.271847      1.330351  
1 1 1 27  4  3  f 27.77647 0.5537676 7.672755       0.3063029 8.754427       0.4517277 6.752153       0.4167401 3.602663       1.107535  
1 1 1 27  4  4  f 21.28940 0.5697382 4.543211       0.2415080 5.089585       0.3443162 4.014088       0.3388375 2.525635       1.139476  
1 1 1 27  4  5  o 20.92730 0.5730930 4.392738       0.2393361 4.635741       0.3344009 4.137531       0.3426962 1.190756       1.146186  
1 1 1 27  4  6  o 27.13145 0.5600238 7.328835       0.3023729 8.442708       0.4439408 6.364928       0.4129759 3.827494       1.120048  
1 1 1 27  4  7  o 18.19590 0.8764885 3.396523       0.2781577 3.156691       0.5399190 3.483177       0.3245412 -0.9150124     1.752977  
1 1 1 27  4  8  o 8.855865 1.771827  0.7893239      0.3315576 0.5874978      0.4455226 1.039853       0.4963751 -2.203117      3.543655  
1 1 1 27  4  9  o 42.41717 0.7831185 17.64154       0.5955514 17.18074       0.6968380 18.89009       1.147040  -1.978569      1.566237  
1 1 1 27  4  10 o 17.26250 0.6141847 2.986480       0.2112358 3.020533       0.2873576 2.946443       0.3115749 0.2162037      1.228369  
1 1 1 27  4  11 f 54.26583 0.6897801 29.48885       0.7485791 29.92384       1.065428  29.06477       1.052001  0.7904816      1.379560  
1 1 1 27  4  12 o 39.14588 0.5908282 15.34045       0.4624488 15.83071       0.6576325 14.86087       0.6504297 1.238255       1.181656  
1 1 1 27  4  13 o 41.64499 0.6069524 17.36407       0.5054380 17.83081       0.7183659 16.90649       0.7112812 1.109226       1.213905  
1 1 1 27  4  14 o 73.34692 0.8523393 53.93578       1.250191  53.52262       1.752603  54.36383       1.783887  -0.5699539     1.704679  
1 1 1 27  4  15 o 8.655501 1.037395  0.7629069      0.1731399 0.7556651      0.2269751 0.7729853      0.2677624 0.4644203E-01  2.074791  
1 1 1 27  4  16 o 6.117895 1.288147  0.3840204      0.1684002 0.4140022      0.2174026 0.3390466      0.2662661 0.3807392      2.576294  
1 1 1 27  4  17 f 23.38568 0.5922247 5.492626       0.2761043 5.925575       0.3873566 5.045470       0.3936606 1.882254       1.184449  
1 1 1 27  4  18 f 29.15224 0.5743985 8.460189       0.3338035 7.899859       0.4503773 9.143170       0.4972316 -2.128500      1.148797  
1 1 1 27  4  19 f 22.42616 0.6067120 5.013936       0.2713774 4.729856       0.3674993 5.354619       0.4024487 -1.389668      1.213424  
1 1 1 27  4  20 o 6.959104 1.099762  0.5147499      0.1871799 0.9699448      0.2490175 -0.7651123E-01 0.2838055 5.741445       2.199523  
1 1 1 27  4  21 o 37.18842 0.7956022 13.87866       0.5913405 14.48929       0.8372000 13.27070       0.8353665 1.638134       1.591204  
1 1 1 27  4  22 o 38.92274 0.7203063 15.01676       0.5405469 15.82794       0.9030394 14.56382       0.6747909 1.594967       1.440613  
1 1 1 27  4  23 o 35.95818 0.6039675 12.95428       0.4343357 12.94352       0.6115332 12.96522       0.6169901 -0.2956772E-01 1.207935  
1 1 1 27  4  24 o 35.46441 0.8557585 12.18984       0.5742112 13.96755       1.016989  11.35789       0.6957170 3.625496       1.711517  
1 1 1 27  4  25 o 18.36532 0.9893956 3.382249       0.3634113 3.382249       0.3634113 ?              ?         ?              ?         
1 1 1 27  4  26 o 18.83427 0.7017361 3.570832       0.2626648 4.050779       0.3727586 3.097492       0.3701829 2.530325       1.403472  
1 1 1 27  4  27 o 25.18562 0.6267458 6.348954       0.3152526 6.187073       0.4323925 6.532657       0.4606134 -0.6821747     1.253492  
1 1 1 27  4  28 f 8.464722 1.265697  0.7755066      0.2112819 1.017289       0.2853063 0.4818928      0.3144038 3.176824       2.531394  
1 1 1 27  4  29 f 22.82117 0.6653575 5.228268       0.3030818 5.642488       0.4307416 4.822101       0.4265341 1.796726       1.330715  
1 1 1 27  4  30 o 11.15197 1.035705  1.251940       0.2301404 1.241916       0.3117130 1.263951       0.3412202 -0.9131241E-01 2.071409  
1 1 1 27  4  31 o 18.96329 1.457757  0.000000       0.000000  ?              ?         3.623642       0.5528774 ?              ?         
1 1 1 27  5  0  o 74.19675 0.8606726 54.92480       1.273863  58.05025       1.886314  52.30435       1.727210  3.861588       1.721345  
1 1 1 27  5  1  o 59.52622 0.9940368 35.44381       1.181796  36.78274       1.727279  34.26538       1.620456  2.106014       1.988074  
1 1 1 27  5  2  o 50.00970 0.8816223 24.95704       0.8794176 26.35277       1.303238  23.79016       1.191614  2.553993       1.763245  
1 1 1 27  5  3  o 54.62999 0.8247080 29.47302       0.8513049 31.16254       1.487639  28.65034       1.038079  2.268192       1.649416  
1 1 1 27  5  4  o 11.72140 0.7583405 1.397538       0.1744118 1.677900       0.2438108 1.103697       0.2496022 2.449757       1.516681  
1 1 1 27  5  5  o 51.99762 1.007740  27.05152       1.046879  28.46663       1.523006  25.78402       1.441384  2.572010       2.015480  
1 1 1 27  5  6  o 59.51484 1.080084  35.53239       1.285573  35.38421       1.808859  35.68363       1.827433  -0.2495956     2.160169  
1 1 1 27  5  7  o 42.96152 0.6085069 18.32840       0.5207121 20.30211       0.7794149 16.73731       0.6997983 4.143875       1.217014  
1 1 1 27  5  8  o 43.30848 0.6098891 18.77813       0.5282289 18.91224       0.7443032 18.64203       0.7497839 0.3123093      1.219778  
1 1 1 27  5  9  o 64.88316 0.7762697 42.04209       1.005305  44.22211       1.480296  40.17597       1.369583  3.108860       1.552539  
1 1 1 27  5  10 o 34.06508 0.5649625 11.61788       0.3848450 11.80205       0.5424995 11.43131       0.5460235 0.5443878      1.129925  
1 1 1 27  5  11 o 14.84715 1.335029  2.207303       0.3951930 1.980700       0.5406827 2.467219       0.5790640 -1.632467      2.670057  
1 1 1 27  5  12 o 42.16111 0.6714644 17.88408       0.5564450 18.26134       0.7270918 17.35077       0.8644865 1.091042       1.342929  
1 1 1 27  5  13 o 35.41519 0.5721712 12.56090       0.4050948 12.98631       0.5728344 12.13532       0.5729466 1.201462       1.144342  
1 1 1 27  5  14 o 27.19573 0.5617795 7.409307       0.3042714 8.319841       0.4357799 6.543137       0.4250309 3.265709       1.123559  
1 1 1 27  5  15 o 15.41312 0.6648196 2.409136       0.2023236 2.649889       0.2747523 2.123924       0.2990466 1.708404       1.329639  
1 1 1 27  5  16 o 12.33148 0.7595356 1.493192       0.1853414 1.255783       0.2437763 1.818425       0.2853249 -2.276904      1.519071  
1 1 1 27  5  17 o 12.01761 0.7863154 1.440009       0.1872531 1.392670       0.2467870 1.504247       0.2874777 -0.4595604     1.572631  
1 1 1 27  5  18 o 52.11744 0.6826760 27.21000       0.7114827 26.91784       0.9959334 27.51452       1.016767  -0.5703354     1.365352  
1 1 1 27  5  19 o 29.13234 0.5795149 8.471028       0.3368703 8.098536       0.4578154 8.910832       0.4974634 -1.390472      1.159030  
1 1 1 27  5  20 o 34.91628 0.5949744 12.09490       0.4133145 11.06329       0.5513163 13.41872       0.6245376 -3.365421      1.189949  
1 1 1 27  5  21 o 34.72998 0.5994431 12.04204       0.4153752 11.51904       0.5641748 12.66113       0.6138186 -1.639004      1.198886  
1 1 1 27  5  22 o 4.974363 1.470019  0.4366368E-01  0.2443545 0.8621557E-01  0.3568482 0.6096371E-02  0.3352967 0.4359899      2.940038  
1 1 1 27  5  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  5  24 o 19.49426 0.6590247 3.803746       0.2565697 3.708827       0.3517920 3.911605       0.3750083 -0.5170536     1.318049  
1 1 1 27  5  25 f 22.39931 0.6310258 5.031935       0.2817614 5.571754       0.4026454 4.513937       0.3944235 2.360203       1.262052  
1 1 1 27  5  26 o 16.68472 0.7231086 2.798830       0.2406560 2.891933       0.3320076 2.695757       0.3493306 0.5906868      1.446217  
1 1 1 27  5  27 o 22.73704 0.6377962 5.181238       0.2899428 5.117383       0.4041349 5.248966       0.4162140 -0.2876434     1.275592  
1 1 1 27  5  28 o 11.08530 0.9959242 1.228190       0.2193795 1.164780       0.2912729 1.311317       0.3334948 -0.6510611     1.991848  
1 1 1 27  5  29 f 33.49544 0.6165934 11.23590       0.4128009 11.74352       0.5956860 10.76689       0.5725767 1.454258       1.233187  
1 1 1 27  5  30 o 44.96173 0.6639838 20.13308       0.5948206 22.02742       0.8892844 18.59940       0.8001629 3.797699       1.327968  
1 1 1 27  6  0  o 76.22600 0.8767049 58.16208       1.335715  57.03514       1.850080  59.38908       1.930457  -1.538361      1.753410  
1 1 1 27  6  1  o 40.95238 0.5928990 16.77243       0.4854311 17.35182       0.6971774 16.22721       0.6763048 1.372040       1.185798  
1 1 1 27  6  2  o 39.11591 0.7717646 15.19374       0.5462402 15.62440       1.026441  15.02359       0.6451873 0.7435188      1.543529  
1 1 1 27  6  3  o 86.21706 2.876618  75.09702       4.960270  75.09702       4.960270  ?              ?         ?              ?         
1 1 1 27  6  4  o 83.08224 1.835340  69.32805       3.049683  69.32805       3.049683  ?              ?         ?              ?         
1 1 1 27  6  5  o 30.18416 0.5970930 9.143421       0.3559468 8.965543       0.5456263 9.275208       0.4696451 -0.5173378     1.194186  
1 1 1 27  6  6  f 88.00182 0.9862670 77.62514       1.735304  78.98952       2.492937  76.34261       2.417004  1.496269       1.972534  
1 1 1 27  6  7  f 40.29648 0.5878218 16.25052       0.4736827 16.56791       0.6759940 15.94435       0.6639455 0.7729912      1.175644  
1 1 1 27  6  8  o 64.96444 0.7755688 42.17867       1.006202  44.11842       1.472741  40.48056       1.377954  2.792084       1.551138  
1 1 1 27  6  9  o 64.01788 0.7683671 41.05816       0.9837806 41.06895       1.389397  41.04731       1.393163  0.1721954E-01  1.536734  
1 1 1 27  6  10 o 9.888397 0.7208258 0.9502472      0.1397385 0.7282580      0.1821515 1.267758       0.2178442 -2.725009      1.441652  
1 1 1 27  6  11 f 75.39364 0.8710962 56.94558       1.312761  55.77707       1.819891  58.21314       1.895463  -1.607666      1.742192  
1 1 1 27  6  12 o 62.82464 0.7604488 39.23289       0.9499784 36.76985       1.263733  42.43317       1.440500  -4.490307      1.520898  
1 1 1 27  6  13 o 16.00348 0.5991831 2.550433       0.1906037 2.445316       0.2537172 2.686614       0.2887832 -0.7511206     1.198366  
1 1 1 27  6  14 o 11.90241 0.7050198 1.374507       0.1651203 1.123472       0.2133116 1.749808       0.2608176 -2.626596      1.410040  
1 1 1 27  6  15 o 30.95917 0.5586883 9.602465       0.3456436 9.778537       0.4818794 9.415879       0.4960567 0.5867958      1.117377  
1 1 1 27  6  16 o 34.30537 0.6355590 11.84680       0.4326374 11.25703       0.6443239 12.33101       0.5838236 -1.570843      1.271118  
1 1 1 27  6  17 o 32.16613 0.5722898 10.35776       0.3678179 10.29633       0.5085121 10.42516       0.5326750 -0.1982422     1.144580  
1 1 1 27  6  18 o 33.01427 0.5827060 10.91450       0.3847026 10.85723       0.5391482 10.97389       0.5490913 -0.1757927     1.165412  
1 1 1 27  6  19 o 40.77193 0.6153497 16.64318       0.5014984 16.36904       0.6955265 16.94004       0.7237678 -0.6973228     1.230699  
1 1 1 27  6  20 o 38.57440 0.6061239 14.86363       0.4668519 14.15718       0.6383066 15.67621       0.6845756 -1.964035      1.212248  
1 1 1 27  6  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  6  22 o 103.6286 1.424099  108.5836       2.770127  108.7292       3.380859  108.2862       4.832021  0.5834274      2.848198  
1 1 1 27  6  23 f 20.86261 0.7055642 4.255495       0.2846111 3.966748       0.3542486 4.781235       0.4780082 -1.935091      1.411128  
1 1 1 27  6  24 o 54.25291 0.9554256 29.58284       1.036597  30.15354       1.473342  29.02342       1.458707  1.038723       1.910851  
1 1 1 27  6  25 o 6.080891 1.264337  0.3701106      0.1836116 0.5896112      0.2443515 0.8543121E-01  0.2782756 2.837110       2.528674  
1 1 1 27  6  26 o 31.48345 0.5991187 9.935081       0.3771936 10.13341       0.5337037 9.737148       0.5331613 0.6292534      1.198237  
1 1 1 27  6  27 o 14.98053 0.8378317 2.245938       0.2504001 2.369979       0.3703799 2.141518       0.3398279 0.7567081      1.675663  
1 1 1 27  6  28 o 41.16726 0.6353059 16.98840       0.5229825 17.34912       0.7479984 16.64342       0.7314956 0.8545685      1.270612  
1 1 1 27  6  29 o 22.03824 0.6515144 4.876128       0.2864453 5.309862       0.4073011 4.451667       0.4029242 1.946350       1.303029  
1 1 1 27  6  30 o 8.997776 1.355972  0.7692058      0.2262170 0.5981292      0.2729776 1.144257       0.4041821 -2.915526      2.711944  
1 1 1 27  7  0  o 18.27011 1.173784  3.362631       0.4233246 4.067068       0.6080610 2.700086       0.5897037 3.739246       2.347569  
1 1 1 27  7  1  f 32.80267 0.8189696 10.91608       0.5075855 11.21682       0.6275557 10.34712       0.8631769 1.341942       1.637939  
1 1 1 27  7  2  o 37.99217 0.5674284 14.36285       0.4299116 15.68477       0.6371007 13.25769       0.5825309 3.191429       1.134857  
1 1 1 27  7  3  o 27.62116 0.5137643 7.625721       0.2835647 8.091730       0.4081015 7.190706       0.3942968 1.630379       1.027529  
1 1 1 27  7  4  o 20.83641 0.8820609 4.523900       0.2684415 4.608798       0.2941000 4.100057       0.6571301 1.249456       1.764122  
1 1 1 27  7  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  7  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  7  7  o 54.78228 0.9964879 30.23579       1.084684  31.50602       1.471898  28.72614       1.604633  2.551178       1.992976  
1 1 1 27  7  8  o 54.66299 0.8989702 29.90175       0.8921382 29.82777       1.058458  30.08324       1.657867  -0.1759377     1.797940  
1 1 1 27  7  9  o 71.00130 0.8314910 50.33870       1.177797  53.09144       1.742247  48.02188       1.598353  3.556335       1.662982  
1 1 1 27  7  10 f 97.47566 1.078291  95.31246       2.100759  93.42247       2.908325  97.37439       3.037743  -2.010460      2.156582  
1 1 1 27  7  11 o 64.94449 0.7775958 42.26460       1.009971  42.70727       1.435640  41.83086       1.421101  0.6733246      1.555192  
1 1 1 27  7  12 o 29.21142 0.5343670 8.472963       0.3108589 7.781639       0.4169697 9.337972       0.4664161 -2.660460      1.068734  
1 1 1 27  7  13 o 40.73030 0.5957698 16.61241       0.4852668 16.63834       0.6816369 16.58576       0.6910005 0.6529999E-01  1.191540  
1 1 1 27  7  14 o 55.64117 0.7031474 30.97638       0.7818859 32.11886       1.133004  29.93757       1.080379  1.955074       1.406295  
1 1 1 27  7  15 f 27.48936 0.5448849 7.554934       0.2989236 7.411058       0.4078640 7.721903       0.4393762 -0.5629482     1.089770  
1 1 1 27  7  16 o 36.51219 0.5805108 13.31857       0.4233026 14.34870       0.6143109 12.38724       0.5841108 2.683475       1.161022  
1 1 1 27  7  17 o 24.66176 0.5544363 6.089004       0.2731369 6.071075       0.3768514 6.108846       0.3964404 -0.7495308E-01 1.108873  
1 1 1 27  7  18 o 25.50188 0.6191826 6.589254       0.3102966 6.980510       0.4100824 6.065188       0.4746062 1.801031       1.238365  
1 1 1 27  7  19 o 32.00170 0.8382978 10.29409       0.4610741 10.24187       0.9310200 10.31106       0.5307274 -0.1643257     1.676596  
1 1 1 27  7  20 o 44.41043 1.014669  19.81474       0.9010217 20.29036       1.291189  19.36330       1.257936  1.037804       2.029339  
1 1 1 27  7  21 o 52.15500 0.6914614 27.25546       0.7210508 26.81047       1.004970  27.72758       1.035138  -0.8754997     1.382923  
1 1 1 27  7  22 f 39.88631 0.6199051 15.94141       0.4944072 15.92640       0.6918746 15.95708       0.7067576 -0.3672791E-01 1.239810  
1 1 1 27  7  23 o 55.12936 0.7159468 30.48015       0.7893800 30.71255       1.117103  30.24837       1.115602  0.4207802      1.431894  
1 1 1 27  7  24 o 13.01336 0.8278512 1.737108       0.2061779 1.841332       0.2611379 1.564606       0.3359569 1.075753       1.655702  
1 1 1 27  7  25 o 25.14374 0.7297932 6.377350       0.3641274 7.280284       0.5144064 5.470561       0.5155032 3.598932       1.459586  
1 1 1 27  7  26 o 30.86019 0.5974438 9.540832       0.3686540 9.832942       0.5270464 9.261003       0.5158449 0.9251766      1.194888  
1 1 1 27  7  27 o 30.16032 0.5983125 9.116271       0.3608193 9.045293       0.5039785 9.190910       0.5168148 -0.2396145     1.196625  
1 1 1 27  7  28 o 28.04112 0.6079409 7.870996       0.3406714 7.520472       0.4710005 8.255559       0.4933395 -1.307312      1.215882  
1 1 1 27  7  29 o 27.69379 0.6163141 7.688373       0.3409242 8.223396       0.4868513 7.173571       0.4775622 1.894022       1.232628  
1 1 1 27  7  30 o 28.84860 1.679836  0.000000       0.000000  ?              ?         8.408038       0.9692184 ?              ?         
1 1 1 27  8  0  f 36.71809 0.9558702 13.51449       0.7017607 13.90782       0.9940100 13.12363       0.9908764 1.067589       1.911740  
1 1 1 27  8  1  f 56.40458 1.080022  31.90489       1.218096  31.65250       1.702187  32.16979       1.743865  -0.4544487     2.160043  
1 1 1 27  8  2  o 45.36180 0.9932239 20.62960       0.9008952 21.22972       1.280951  20.04222       1.267275  1.307625       1.986448  
1 1 1 27  8  3  o 28.46065 1.004023  8.002550       0.5671586 6.927258       0.7527904 9.414198       0.8625295 -4.358078      2.008045  
1 1 1 27  8  4  o 36.68313 0.9615651 13.48634       0.7051675 14.05053       1.008459  12.94654       0.9864208 1.502571       1.923130  
1 1 1 27  8  5  o 38.86369 0.9627012 15.13296       0.7475387 16.11197       1.072686  14.20857       1.042326  2.445759       1.925402  
1 1 1 27  8  6  o 10.84444 1.915195  1.218122       0.4156297 0.9928480      0.5616938 1.490732       0.6178957 -2.138028      3.830390  
1 1 1 27  8  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  8  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  8  9  o 64.57193 1.427632  41.65337       1.730838  42.93938       3.043562  41.03867       2.104227  1.313496       2.855265  
1 1 1 27  8  10 o 96.99979 1.562932  94.80651       3.029941  97.31969       4.386312  92.51286       4.190367  2.439545       3.125865  
1 1 1 27  8  11 f 47.52650 1.013296  22.56989       0.9602717 21.40560       1.298040  23.97740       1.427187  -2.688587      2.026592  
1 1 1 27  8  12 o 23.38610 1.110387  5.465371       0.5179608 5.038960       0.7034441 5.970331       0.7654985 -1.982012      2.220774  
1 1 1 27  8  13 f 59.54682 1.119906  35.56002       1.332188  34.21545       1.830790  37.07311       1.942134  -2.382484      2.239811  
1 1 1 27  8  14 o 22.13693 1.138854  4.909196       0.5028890 4.710303       0.6820221 5.146172       0.7444576 -0.9744473     2.277708  
1 1 1 27  8  15 o 31.55720 1.320641  9.747907       0.7478469 9.409204       0.8740987 10.67297       1.444562  -1.894199      2.641282  
1 1 1 27  8  16 o 11.74431 2.900818  0.000000       0.000000  ?              ?         1.458779       0.6782346 ?              ?         
1 1 1 27  8  17 o 38.31015 0.8086978 14.50396       0.5398723 15.16091       1.081024  14.28567       0.6231453 1.085167       1.617396  
1 1 1 27  8  18 o 34.61036 1.015823  12.01591       0.7024915 11.45168       0.9691707 12.64050       1.019700  -1.708630      2.031645  
1 1 1 27  8  19 o 28.77903 0.5555528 8.282681       0.3190917 9.069295       0.4603616 7.555312       0.4426849 2.628630       1.111106  
1 1 1 27  8  20 o 17.23062 0.5883662 2.936557       0.2013203 2.665108       0.2660780 3.300041       0.3078983 -1.838093      1.176732  
1 1 1 27  8  21 o 47.56046 0.6567268 22.58077       0.6233504 24.10470       0.9187552 21.28091       0.8485283 2.960136       1.313454  
1 1 1 27  8  22 o 25.35680 0.5727842 6.443350       0.2901889 6.812042       0.4121967 6.081054       0.4086052 1.441000       1.145568  
1 1 1 27  8  23 o 57.64442 0.7342777 33.32632       0.8464495 33.05420       1.186683  33.60817       1.207714  -0.4774055     1.468555  
1 1 1 27  8  24 o 20.58021 1.075005  4.352721       0.3887525 4.453265       0.4552485 4.081975       0.7470548 0.9684849      2.150011  
1 1 1 27  8  25 f 43.11779 0.6809092 18.54183       0.5796620 18.02578       0.7565802 19.27531       0.9019887 -1.427177      1.361818  
1 1 1 27  8  26 o 26.98241 0.7055250 7.317808       0.3793208 7.483455       0.5181026 7.126441       0.5568748 0.6677952      1.411050  
1 1 1 27  8  27 o 21.90256 0.6148403 4.804955       0.2691404 4.689555       0.3722031 4.931420       0.3896394 -0.5495281     1.229681  
1 1 1 27  8  28 o 37.86869 0.6175371 14.36598       0.4674883 13.93900       0.6492926 14.82558       0.6736359 -1.166855      1.235074  
1 1 1 27  8  29 o 37.11785 1.542476  13.89269       1.145068  13.89269       1.145068  ?              ?         ?              ?         
1 1 1 27  9  0  o 54.81823 1.070868  30.10580       1.172839  29.36996       1.615069  30.92678       1.705950  -1.410713      2.141737  
1 1 1 27  9  1  o 37.36864 0.9767304 13.93015       0.7275696 13.16397       0.9814112 14.86508       1.084116  -2.266159      1.953461  
1 1 1 27  9  2  o 54.92234 1.075008  29.96103       1.173296  27.69567       1.555562  32.95055       1.786987  -4.758354      2.150016  
1 1 1 27  9  3  o 64.72958 1.170062  42.06339       1.514658  42.63906       2.155527  41.50189       2.128822  0.8751373      2.340123  
1 1 1 27  9  4  o 32.51941 0.9856713 10.52372       0.6381125 9.780208       0.8537355 11.46488       0.9605297 -2.579145      1.971343  
1 1 1 27  9  5  o 50.73570 1.047782  25.71084       1.060791  27.81280       1.562935  23.91553       1.444433  3.827351       2.095564  
1 1 1 27  9  6  o 37.61572 0.9892796 14.14354       0.7422684 15.68286       1.082577  12.77785       1.019695  3.854469       1.978559  
1 1 1 27  9  7  o 37.87016 0.9954649 14.36100       0.7527013 15.58881       1.088423  13.23559       1.042051  3.101604       1.990930  
1 1 1 27  9  8  o 36.70984 1.403311  13.52142       1.030307  13.52142       1.030307  ?              ?         ?              ?         
1 1 1 27  9  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  9  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  9  11 o 28.64259 1.057248  8.251483       0.6043997 8.475124       0.8355538 8.006041       0.8753338 0.8245201      2.114496  
1 1 1 27  9  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  9  13 o 13.79167 1.737212  1.970762       0.4651289 2.120026       0.6377097 1.801095       0.6798986 1.397712       3.474424  
1 1 1 27  9  14 o 53.27584 1.078090  28.30841       1.143352  26.43596       1.529216  30.68200       1.721737  -3.954674      2.156180  
1 1 1 27  9  15 o 34.69278 1.033886  12.09424       0.7169363 12.24396       1.000486  11.93622       1.027871  0.4476967      2.067772  
1 1 1 27  9  16 o 35.28016 1.020169  12.48078       0.7188654 12.07196       0.9860263 12.94461       1.050271  -1.226444      2.040339  
1 1 1 27  9  17 o 34.42792 1.020970  11.91192       0.7027008 11.90251       0.9794908 11.92191       1.008690  -0.2310562E-01 2.041939  
1 1 1 27  9  18 o 23.10633 1.187457  5.351283       0.5472174 4.844115       0.7476322 5.936507       0.8031067 -2.352255      2.374913  
1 1 1 27  9  19 o 46.26411 1.038141  21.51174       0.9604040 22.04255       1.371936  21.00165       1.344901  1.119995       2.076283  
1 1 1 27  9  20 o 36.59367 1.027800  13.43330       0.7513630 14.17858       1.093792  12.76738       1.033910  1.917007       2.055600  
1 1 1 27  9  21 o 15.88753 1.408994  3.207394       0.2357317 3.369309       0.2499511 1.904559       0.7090164 4.913026       2.817987  
1 1 1 27  9  22 o 15.70105 0.5503443 2.473013       0.1723832 2.526084       0.2370407 2.413440       0.2511435 0.3602638      1.100689  
1 1 1 27  9  23 o 39.96043 0.6136565 15.97040       0.4898556 16.72095       0.7143521 15.30420       0.6730152 1.767269       1.227313  
1 1 1 27  9  24 o 37.17381 0.6015467 13.79588       0.4460794 13.12872       0.6048788 14.59134       0.6604854 -1.959839      1.203093  
1 1 1 27  9  25 o 24.61415 0.5768726 5.994080       0.2821659 5.327912       0.3750122 6.863331       0.4283769 -3.112074      1.153745  
1 1 1 27  9  26 o 48.25634 0.7153040 23.30813       0.6838416 22.95239       0.9037660 23.78459       1.045931  -0.8382225     1.430608  
1 1 1 27  9  27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  9  28 o 12.24233 2.013658  1.498874       0.4730031 2.082373       0.7911040 1.174221       0.5900967 3.469690       4.027316  
1 1 1 27  10 0  f 54.34519 1.075456  29.62829       1.168721  29.35796       1.635147  29.91064       1.671081  -0.5045052     2.150912  
1 1 1 27  10 1  o 48.27061 1.035393  23.35517       0.9985438 22.97782       1.376559  23.77424       1.450661  -0.8169518     2.070785  
1 1 1 27  10 2  f 28.76842 1.041094  8.289406       0.5975223 9.143987       0.8629525 7.502328       0.8281686 2.849419       2.082188  
1 1 1 27  10 3  o 38.04179 0.9980949 14.50535       0.7585335 14.31161       1.045227  14.72091       1.102522  -0.5318184     1.996190  
1 1 1 27  10 4  o 50.26669 1.054004  25.34596       1.059350  26.16963       1.512923  24.55370       1.483795  1.603966       2.108008  
1 1 1 27  10 5  o 23.73413 1.148799  5.684908       0.5426077 6.145319       0.7535004 5.188984       0.7820202 2.018419       2.297598  
1 1 1 27  10 6  o 29.85463 1.051852  8.921298       0.6261950 9.943301       0.9097762 8.001248       0.8632051 3.246723       2.103704  
1 1 1 27  10 7  o 45.80685 1.053076  21.04725       0.9637775 20.72384       1.329044  21.40596       1.399672  -0.7354317     2.106153  
1 1 1 27  10 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  10 9  f 93.78619 1.542255  88.71946       2.892257  87.69834       4.041641  89.79124       4.140695  -1.095558      3.084509  
1 1 1 27  10 10 o 53.21385 1.545391  28.44659       1.644724  28.44659       1.644724  ?              ?         ?              ?         
1 1 1 27  10 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  10 12 o 15.41267 2.341248  0.000000       0.000000  ?              ?         2.401638       0.7216976 ?              ?         
1 1 1 27  10 13 o 29.68080 1.078920  8.796587       0.6384206 8.122721       0.8627078 9.612350       0.9492036 -2.495787      2.157840  
1 1 1 27  10 14 o 38.07267 1.026807  14.55021       0.7814246 14.30651       1.083674  14.81420       1.127853  -0.6600266     2.053615  
1 1 1 27  10 15 o 41.85814 1.038921  17.60705       0.8689899 17.65114       1.204939  17.55926       1.254430  0.1178398      2.077842  
1 1 1 27  10 16 o 65.03718 1.200974  42.58146       1.561970  43.44092       2.227487  41.75000       2.190886  1.292496       2.401947  
1 1 1 27  10 17 o 30.24464 1.087684  9.186674       0.6570410 8.938312       0.9015750 9.467990       0.9595223 -0.8645668     2.175368  
1 1 1 27  10 18 o 24.43606 1.204203  5.997818       0.5824729 7.246664       0.8507691 4.895958       0.7991354 4.799030       2.408406  
1 1 1 27  10 19 o 8.211583 2.137709  0.5263219      0.4686404 0.3115330      0.6471504 0.7631571      0.6795514 -1.611479      4.275417  
1 1 1 27  10 20 o 40.68001 1.039014  16.64754       0.8452340 16.88275       1.192238  16.40986       1.198469  0.5824623      2.078028  
1 1 1 27  10 21 o 17.51409 1.565592  3.121552       0.5356694 2.307024       0.7378669 4.029190       0.7788995 -4.903999      3.131184  
1 1 1 27  10 22 f 13.52089 1.985992  1.917607       0.5292754 1.516220       0.7446173 2.327494       0.7524611 -3.194672      3.971984  
1 1 1 27  10 23 o 40.94623 1.082219  16.87535       0.8858432 17.56661       1.273173  16.22669       1.233320  1.626560       2.164438  
1 1 1 27  10 24 f 32.04088 1.110883  10.34685       0.7117774 10.16924       1.007786  10.52363       1.005429  -0.5535984     2.221766  
1 1 1 27  10 25 o 17.73316 1.590600  3.209950       0.5616059 3.489020       0.7850116 2.917374       0.8037825 1.618727       3.181201  
1 1 1 27  10 26 o 20.58559 1.468491  4.301014       0.6000952 5.023316       0.8668212 3.636219       0.8315995 3.356222       2.936982  
1 1 1 27  10 27 o 25.76867 1.652663  7.154286       0.7772857 7.894487       0.9564656 5.714710       1.333865  4.374578       3.305327  
1 1 1 27  10 28 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  11 0  o 51.96616 1.080681  27.08388       1.121945  26.78452       1.547067  27.41600       1.629479  -0.5981598     2.161362  
1 1 1 27  11 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  11 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  11 3  o 15.75497 2.831412  0.000000       0.000000  ?              ?         2.589517       0.8597299 ?              ?         
1 1 1 27  11 4  o 34.80657 1.039531  12.17470       0.7226686 12.62339       1.009193  11.70247       1.035323  1.326115       2.079062  
1 1 1 27  11 5  o 25.76543 1.191316  6.716265       0.5978484 8.761264       0.8671015 4.863196       0.8254091 7.558641       2.382632  
1 1 1 27  11 6  o 31.27888 1.069209  9.808158       0.6683407 9.410396       0.9235063 10.24557       0.9684475 -1.328997      2.138418  
1 1 1 27  11 7  o 64.27330 1.200733  41.31365       1.538361  38.99136       2.074660  44.14999       2.292802  -3.978859      2.401466  
1 1 1 27  11 8  o 46.84386 1.057195  21.99770       0.9892204 21.30050       1.358267  22.78522       1.443563  -1.572659      2.114390  
1 1 1 27  11 9  o 10.25989 2.068637  1.033747       0.4681323 0.5590976      0.6332062 1.605897       0.6952069 -4.148059      4.137273  
1 1 1 27  11 10 o 8.151438 1.944099  0.4272957      0.4404474 1.163145       0.6323656 -0.2660289     0.6138215 4.766822       3.888198  
1 1 1 27  11 11 o 29.52485 1.140774  8.839828       0.6666955 10.12358       0.9329346 7.500013       0.9530881 4.446257       2.281549  
1 1 1 27  11 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  11 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  11 14 o 41.14298 1.058224  17.01139       0.8700962 17.92489       1.239720  16.12457       1.221486  2.184818       2.116448  
1 1 1 27  11 15 o 22.77092 1.285944  5.311694       0.5751191 6.253462       0.7973132 4.290199       0.8303764 4.318047       2.571887  
1 1 1 27  11 16 o 21.17047 1.319369  4.379570       0.5486956 3.453442       0.7123322 5.730798       0.8604221 -5.344381      2.638738  
1 1 1 27  11 17 o 31.82297 1.093490  10.11619       0.6935216 9.222891       0.9366806 11.20008       1.031776  -3.088182      2.186980  
1 1 1 27  11 18 o 29.84292 1.127420  8.968563       0.6720511 9.063010       0.9300953 8.865382       0.9721460 0.3396873      2.254840  
1 1 1 27  11 19 o 39.17390 1.065610  15.44033       0.8348793 15.39991       1.180901  15.48072       1.180495  -0.1032257     2.131220  
1 1 1 27  11 20 o 11.70726 2.118116  1.474264       0.5069526 1.828113       0.6982282 1.079770       0.7372400 2.875083       4.236232  
1 1 1 27  11 21 o 6.340996 1.968736  -0.1530764     0.4782744 -0.1859600     0.6477646 -0.1136639     0.7091619 -0.4682398     3.937471  
1 1 1 27  11 22 o 7.623655 2.091831  0.2164588      0.5046225 0.8094617      0.7006214 -0.4227773     0.7274207 3.167122       4.183662  
1 1 1 27  11 23 o 18.79105 1.466176  3.583206       0.5497723 3.304387       0.7766806 3.863199       0.7783129 -1.486380      2.932351  
1 1 1 27  11 24 o 17.22537 1.691192  3.021028       0.5824690 2.952983       0.8123416 3.093029       0.8356228 -0.3974133     3.382383  
1 1 1 27  11 25 o 42.87337 1.115959  18.52970       0.9565640 17.90679       1.334688  19.18758       1.371640  -1.483467      2.231917  
1 1 1 27  11 26 o 57.23265 1.175107  32.95634       1.342092  34.77121       1.980475  31.41515       1.825047  2.886841       2.350213  
1 1 1 27  11 27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  12 0  o 44.20200 1.033249  19.60500       0.9131060 20.30718       1.296983  18.91494       1.285744  1.573555       2.066497  
1 1 1 27  12 1  o 63.46757 1.186330  40.40546       1.504704  42.19112       2.179527  38.77929       2.079911  2.674152       2.372660  
1 1 1 27  12 2  o 26.06780 1.118195  6.817337       0.5826533 6.520583       0.8109084 7.134052       0.8377387 -1.173113      2.236390  
1 1 1 27  12 3  f 71.04005 1.266496  50.71849       1.798933  52.09059       2.580235  49.42070       2.509396  1.868172       2.532991  
1 1 1 27  12 4  o 14.30665 1.690737  2.094815       0.4698259 2.446765       0.6825652 1.777927       0.6476752 2.537898       3.381475  
1 1 1 27  12 5  o 51.07183 1.089836  26.20029       1.112850  27.02331       1.577068  25.38404       1.570567  1.603954       2.179673  
1 1 1 27  12 6  o 29.16520 1.116505  8.569331       0.6475258 9.697065       0.9210767 7.467360       0.9104946 3.820974       2.233011  
1 1 1 27  12 7  o 47.23901 1.070525  22.38882       1.010817  23.42497       1.455692  21.42400       1.404693  2.110523       2.141050  
1 1 1 27  12 8  o 34.37777 1.078154  11.90085       0.7393311 12.71575       1.036286  11.05607       1.055113  2.416653       2.156309  
1 1 1 27  12 9  f 33.19147 1.075462  11.05496       0.7133002 10.77993       0.9842104 11.35924       1.035241  -0.8649178     2.150924  
1 1 1 27  12 10 o 37.85134 1.065169  14.34681       0.8038136 16.05369       1.170779  12.82482       1.105551  4.255104       2.130338  
1 1 1 27  12 11 o 59.96869 1.170897  36.08472       1.401801  34.87767       1.914342  37.48025       2.058375  -2.145195      2.341795  
1 1 1 27  12 12 o 5.070851 1.696602  -0.8816198     0.4729098 -0.4032066     0.6368850 -1.469568      0.7060393 1.093070       3.393203  
1 1 1 27  12 13 o 47.51540 1.561774  22.70438       1.484166  22.70438       1.484166  ?              ?         ?              ?         
1 1 1 27  12 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  12 15 o 9.396104 2.388217  0.7686493      0.5644844 0.8198512      0.8934544 0.7346326      0.7282432 0.7049618      4.776434  
1 1 1 27  12 16 o 27.55590 1.184025  7.612500       0.6499158 6.711365       0.8899508 8.642285       0.9513587 -3.490808      2.368049  
1 1 1 27  12 17 f 11.94435 2.113795  1.510516       0.5074664 1.236310       0.7061615 1.803349       0.7297514 -2.195729      4.227591  
1 1 1 27  12 18 o 28.35212 1.191781  8.154585       0.6711655 8.822804       0.9240920 7.408559       0.9764102 2.506018       2.383563  
1 1 1 27  12 19 o 28.25610 1.190592  8.053123       0.6682934 9.313478       0.9611608 6.873578       0.9298365 4.310091       2.381184  
1 1 1 27  12 20 f 33.06539 1.131072  10.87639       0.7423875 12.91473       1.117636  9.266853       0.9931440 5.486887       2.262144  
1 1 1 27  12 21 o 42.05706 1.108542  17.82203       0.9322594 17.99045       1.333951  17.66123       1.303407  0.3838272      2.217084  
1 1 1 27  12 22 o 12.57113 2.168380  1.701059       0.5407299 1.845176       0.7344951 1.530524       0.7989838 1.194834       4.336760  
1 1 1 27  12 23 o 19.34433 1.552222  3.800331       0.6003925 3.822151       0.8594742 3.779535       0.8390601 0.1028461      3.104445  
1 1 1 27  12 24 o 44.15069 1.103103  19.57699       0.9720398 18.26171       1.325775  21.10594       1.429411  -3.192883      2.206206  
1 1 1 27  12 25 o 42.02710 1.117891  17.76786       0.9383004 18.99762       1.368120  16.67571       1.289299  2.740517       2.235781  
1 1 1 27  12 26 f 26.06366 3.161864  7.031561       1.648195  7.031561       1.648195  ?              ?         ?              ?         
1 1 1 27  13 0  o 68.33974 1.239851  46.94050       1.694446  47.71737       2.416649  46.18924       2.376473  1.111977       2.479701  
1 1 1 27  13 1  f 17.54512 1.440452  3.094184       0.5042923 2.811307       0.6972703 3.404431       0.7302245 -1.684374      2.880903  
1 1 1 27  13 2  f 71.37318 1.272329  51.16544       1.814725  53.10476       2.632085  49.40829       2.505415  2.568909       2.544658  
1 1 1 27  13 3  o 5.421516 1.760047  -0.5932867     0.4443306 -0.9839761     0.5994638 -0.1169388     0.6619258 -1.876090      3.520095  
1 1 1 27  13 4  o 31.16494 1.091584  9.760889       0.6790986 9.831957       0.9340677 9.681206       0.9890720 0.2499104      2.183167  
1 1 1 27  13 5  o 13.25863 1.919716  1.863199       0.4969355 2.219985       0.6753202 1.441863       0.7338712 3.134757       3.839433  
1 1 1 27  13 6  o 39.80859 1.060327  15.91491       0.8434254 15.88470       1.167500  15.94788       1.219784  -0.7176590E-01 2.120654  
1 1 1 27  13 7  o 24.03904 1.262187  5.840069       0.6000036 6.950830       0.8586336 4.780077       0.8387809 4.511574       2.524374  
1 1 1 27  13 8  o 30.99160 1.130742  9.638397       0.6995655 9.396601       0.9558423 9.917324       1.026615  -0.8284969     2.261483  
1 1 1 27  13 9  o 25.15505 1.244964  6.396467       0.6213241 7.362438       0.8821559 5.445551       0.8752545 3.808897       2.489929  
1 1 1 27  13 10 o 26.43376 1.181391  7.021372       0.6237432 6.895209       0.8571177 7.163400       0.9094157 -0.4980602     2.362783  
1 1 1 27  13 11 o 44.40068 1.093018  19.82324       0.9702984 19.98066       1.358213  19.65916       1.386647  0.3669624      2.186036  
1 1 1 27  13 12 o 32.34656 1.113721  10.49146       0.7188688 10.05311       0.9774768 11.00783       1.060909  -1.460068      2.227442  
1 1 1 27  13 13 o 27.99577 1.181521  7.883702       0.6603512 7.762081       0.9040056 8.022840       0.9669209 -0.4526787     2.363041  
1 1 1 27  13 14 o 15.27762 2.404952  2.367718       0.7348388 2.367718       0.7348388 ?              ?         ?              ?         
1 1 1 27  13 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  13 16 o 52.72653 1.653957  0.000000       0.000000  ?              ?         27.99967       1.744148  ?              ?         
1 1 1 27  13 17 o 35.60418 1.114743  12.73515       0.7928817 12.13958       1.090474  13.40318       1.154907  -1.760498      2.229486  
1 1 1 27  13 18 o 42.56280 1.102737  18.24250       0.9385573 18.61306       1.326865  17.87143       1.327776  0.8714218      2.205475  
1 1 1 27  13 19 o 29.95391 1.212718  9.008058       0.7243783 8.505745       0.9795533 9.614258       1.076090  -1.825554      2.425437  
1 1 1 27  13 20 o 16.70539 1.904034  3.091084       0.5784130 4.474850       0.8085939 1.641007       0.8277412 8.652137       3.808069  
1 1 1 27  13 21 o 21.20741 1.487361  4.560193       0.6307524 4.539882       0.8992336 4.579865       0.8849745 -0.9896278E-01 2.974723  
1 1 1 27  13 22 o 18.38207 1.576131  3.427303       0.5784489 3.156371       0.8007869 3.722927       0.8364805 -1.528063      3.152262  
1 1 1 27  13 23 o 20.58646 1.515027  4.303338       0.6232708 4.244183       0.8617786 4.368217       0.9025074 -0.2860146     3.030053  
1 1 1 27  13 24 f 36.65923 1.145174  13.55657       0.8394327 13.89727       1.202076  13.23229       1.172742  0.8986397      2.290347  
1 1 1 27  13 25 o 27.71092 2.954242  7.913896       1.637295  7.913896       1.637295  ?              ?         ?              ?         
1 1 1 27  14 0  o 53.24775 1.126583  28.48018       1.198663  28.33219       1.658092  28.64218       1.734841  -0.2797127     2.253165  
1 1 1 27  14 1  o 47.44930 1.098813  22.62477       1.042354  22.97410       1.461367  22.26298       1.487197  0.7531395      2.197626  
1 1 1 27  14 2  o 43.58797 1.073628  19.05338       0.9345415 18.57635       1.280865  19.59641       1.366578  -1.157665      2.147257  
1 1 1 27  14 3  o 13.25439 1.935120  1.856033       0.5050491 2.442400       0.7097436 1.254542       0.7188379 4.591971       3.870240  
1 1 1 27  14 4  o 29.48827 1.178310  8.791709       0.6907243 9.696795       0.9641334 7.837321       0.9900450 3.157091       2.356620  
1 1 1 27  14 5  o 40.28046 1.079888  16.27184       0.8689737 17.39116       1.256601  15.24601       1.202981  2.654572       2.159776  
1 1 1 27  14 6  o 32.81135 1.125393  10.79420       0.7360691 12.09462       1.068456  9.619536       1.015481  3.763048       2.250786  
1 1 1 27  14 7  o 65.27166 1.229458  42.87123       1.604946  43.11195       2.267985  42.62978       2.271494  0.3699951      2.458915  
1 1 1 27  14 8  o 37.46055 1.106851  13.97014       0.8246516 12.85909       1.097722  15.40947       1.249416  -3.379078      2.213702  
1 1 1 27  14 9  o 71.27637 1.302574  51.08970       1.853982  49.57898       2.538706  52.81615       2.713908  -2.235153      2.605148  
1 1 1 27  14 10 o 49.79211 1.132750  24.88955       1.126757  26.51828       1.634397  23.41431       1.555479  3.102055       2.265501  
1 1 1 27  14 11 o 54.85249 1.163419  30.29393       1.276092  30.71503       1.796296  29.86489       1.813155  0.7783470      2.326837  
1 1 1 27  14 12 f 24.05492 1.330717  5.886301       0.6331040 6.827048       0.8903084 4.923964       0.9004664 3.958063       2.661434  
1 1 1 27  14 13 o 51.97087 1.144103  27.09478       1.186432  25.91104       1.612282  28.49285       1.752169  -2.455612      2.288205  
1 1 1 27  14 14 o 20.07866 1.509447  4.053017       0.6037087 3.808082       0.8105329 4.358214       0.9047647 -1.344242      3.018893  
1 1 1 27  14 15 f 31.26048 1.184157  9.817461       0.7389922 9.400231       1.008500  10.30126       1.085981  -1.423796      2.368314  
1 1 1 27  14 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  14 17 o 28.49770 2.822096  0.000000       0.000000  ?              ?         8.305385       1.608465  ?              ?         
1 1 1 27  14 18 o 14.42846 2.085113  2.193630       0.5792178 2.021605       0.7775847 2.408061       0.8681538 -1.278052      4.170227  
1 1 1 27  14 19 o 27.94258 1.283962  7.923793       0.7109889 9.222881       1.011848  6.656851       0.9992507 4.588057       2.567923  
1 1 1 27  14 20 o 18.25243 1.647324  3.365110       0.5983137 2.930732       0.8127164 3.879105       0.8840663 -2.571775      3.294648  
1 1 1 27  14 21 o 18.34052 1.726887  3.400789       0.6279362 2.825552       0.8500928 4.091563       0.9315600 -3.418768      3.453774  
1 1 1 27  14 22 o 37.72238 1.166374  14.35932       0.8797510 14.02538       1.228055  14.71137       1.260908  -0.8997040     2.332749  
1 1 1 27  14 23 o 18.63621 1.715040  3.543996       0.6376749 3.877253       0.9125704 3.226009       0.8914186 1.738321       3.430081  
1 1 1 27  14 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  15 0  o 22.11749 1.343769  4.945196       0.5909968 5.543207       0.8348876 4.344576       0.8367068 2.710024       2.687539  
1 1 1 27  15 1  f 63.68521 1.223215  40.79686       1.557935  41.13700       2.199000  40.45409       2.207531  0.5376053      2.446430  
1 1 1 27  15 2  o 17.32600 1.559493  2.976040       0.5335624 2.397815       0.7076801 3.737710       0.8122178 -3.843863      3.118986  
1 1 1 27  15 3  o 14.57371 1.867877  2.186749       0.5308824 1.877014       0.7331702 2.528140       0.7697251 -2.462020      3.735755  
1 1 1 27  15 4  o 15.30433 1.862498  2.413004       0.5542559 2.773940       0.7982639 2.077033       0.7701635 2.503462       3.724996  
1 1 1 27  15 5  o 21.40228 1.401796  4.615739       0.5996658 4.394114       0.8389069 4.847301       0.8575101 -1.054911      2.803592  
1 1 1 27  15 6  o 65.82518 1.250820  43.61905       1.646577  43.70989       2.315349  43.52609       2.342105  0.1446457      2.501641  
1 1 1 27  15 7  o 23.06705 1.330748  5.325992       0.6106533 4.614474       0.8296285 6.167257       0.9021053 -3.350620      2.661495  
1 1 1 27  15 8  o 36.46371 1.128107  13.37316       0.8217369 13.32083       1.133996  13.43103       1.192428  -0.1401062     2.256214  
1 1 1 27  15 9  o 13.49563 1.991916  1.946970       0.5437956 3.026028       0.7753858 0.9025113      0.7628537 7.586567       3.983833  
1 1 1 27  15 10 o 41.37740 1.109704  17.21880       0.9171946 18.42263       1.312289  16.06909       1.282444  2.838161       2.219408  
1 1 1 27  15 11 f 35.10042 1.144700  12.38702       0.8024138 13.36063       1.154400  11.47688       1.116136  2.675652       2.289400  
1 1 1 27  15 12 o 50.81219 1.159988  25.81340       1.173314  24.21715       1.569485  27.83573       1.766581  -3.519791      2.319977  
1 1 1 27  15 13 o 52.54829 1.175669  27.82011       1.235153  28.08391       1.729027  27.54519       1.765071  0.5204620      2.351338  
1 1 1 27  15 14 o 16.10835 1.882998  2.666295       0.5743396 1.769891       0.7706159 3.786417       0.8614279 -6.436643      3.765995  
1 1 1 27  15 15 o 38.58629 1.148177  14.92488       0.8837043 13.96599       1.197703  16.07065       1.309223  -2.701649      2.296354  
1 1 1 27  15 16 o 6.069628 1.950795  -0.5329173     0.5374498 -0.7380774E-01 0.7169365 -1.121935      0.8120577 1.263153       3.901590  
1 1 1 27  15 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  15 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  15 19 o 14.32325 2.082036  2.180061       0.5845511 2.519407       0.8028676 1.797243       0.8527454 2.772013       4.164072  
1 1 1 27  15 20 o 20.00537 1.630769  4.012293       0.6439027 3.199786       0.8596449 5.050815       0.9718810 -4.583216      3.261539  
1 1 1 27  15 21 o 33.37685 1.226806  11.28829       0.8160387 12.33233       1.151487  10.23490       1.156636  3.143629       2.453613  
1 1 1 27  15 22 o 17.73169 1.852890  3.313074       0.6268168 3.991295       0.8758521 2.600995       0.8974479 4.159753       3.705779  
1 1 1 27  15 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  16 0  o 39.96030 1.125058  15.97921       0.8962108 15.20978       1.209550  16.91584       1.334511  -2.114254      2.250116  
1 1 1 27  16 1  f 22.57391 1.378441  5.152799       0.6197752 5.643754       0.8719568 4.651490       0.8811036 2.199646       2.756881  
1 1 1 27  16 2  o 27.41534 1.234406  7.569814       0.6762258 7.768202       0.9449816 7.361602       0.9680926 0.7457409      2.468812  
1 1 1 27  16 3  o 6.495366 2.001737  -0.1371966     0.4939366 0.7866633E-01  0.6569425 -0.4179256     0.7491726 0.6236410      4.003475  
1 1 1 27  16 4  o 8.208576 2.189469  0.4778340      0.5054695 0.7532673      0.6861869 0.1510541      0.7474151 1.608671       4.378939  
1 1 1 27  16 5  o 53.09016 1.159321  28.33725       1.230323  29.64602       1.765700  27.10217       1.715274  2.386272       2.318642  
1 1 1 27  16 6  o 19.42908 1.512365  3.799821       0.5854030 3.358901       0.8019099 4.302885       0.8565591 -2.415274      3.024730  
1 1 1 27  16 7  o 29.12813 1.240505  8.558775       0.7216350 9.046977       1.017702  8.065076       1.023414  1.686726       2.481009  
1 1 1 27  16 8  o 70.92571 1.311999  50.68797       1.859406  49.66822       2.565836  51.81576       2.698361  -1.483292      2.623999  
1 1 1 27  16 9  o 18.75426 1.618801  3.614380       0.5962749 4.313884       0.8338632 2.882432       0.8529820 3.821709       3.237602  
1 1 1 27  16 10 o 13.16737 2.163649  1.876402       0.5657199 2.336834       0.7783444 1.360775       0.8236763 3.518779       4.327298  
1 1 1 27  16 11 o 20.65195 1.518355  4.303442       0.6237592 3.716880       0.8582038 4.960296       0.9081730 -2.996416      3.036710  
1 1 1 27  16 12 o 24.40615 1.397215  6.042884       0.6793737 6.475266       0.9455600 5.581500       0.9767583 1.839445       2.794430  
1 1 1 27  16 13 o 26.57613 1.305503  7.110363       0.6926827 6.799672       0.9458795 7.469678       1.017208  -1.241995      2.611005  
1 1 1 27  16 14 o 24.33485 1.414041  5.892994       0.6821764 5.260114       0.8956211 6.767530       1.052817  -3.051989      2.828082  
1 1 1 27  16 15 o 21.69432 1.522080  4.809076       0.6553707 5.227549       0.9017093 4.340480       0.9541833 2.061911       3.044161  
1 1 1 27  16 16 o 22.87600 1.478329  5.288527       0.6750643 5.049700       0.9204221 5.566552       0.9930834 -1.105829      2.956659  
1 1 1 27  16 17 o 15.42677 2.106664  2.546505       0.6290702 3.442971       0.8929955 1.663388       0.8863212 5.917680       4.213328  
1 1 1 27  16 18 o 33.88968 2.765129  11.77216       1.874187  11.77216       1.874187  ?              ?         ?              ?         
1 1 1 27  16 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  16 20 o 45.30157 1.196233  20.73229       1.083746  20.50194       1.535274  20.96108       1.530037  -0.5083313     2.392466  
1 1 1 27  16 21 o 19.07582 2.553765  3.720880       0.9743031 3.720880       0.9743031 ?              ?         ?              ?         
1 1 1 27  16 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  17 0  o 52.96684 1.176878  28.22133       1.246335  28.17187       1.740676  28.27337       1.785340  -0.8778763E-01 2.353756  
1 1 1 27  17 1  o 43.42645 1.149558  18.98355       0.9976740 19.63831       1.402456  18.31274       1.419547  1.529316       2.299116  
1 1 1 27  17 2  o 11.68880 2.039534  1.428659       0.5376092 2.288167       0.7372784 0.4527698      0.7856095 6.666629       4.079069  
1 1 1 27  17 3  o 31.80570 1.213324  10.13366       0.7696587 9.235513       1.047727  11.18647       1.134350  -3.049110      2.426648  
1 1 1 27  17 4  o 31.71288 1.205531  10.10263       0.7623503 9.804514       1.032922  10.45931       1.129836  -1.011992      2.411061  
1 1 1 27  17 5  o 40.31520 1.163312  16.18520       0.9327377 14.61972       1.242831  18.20403       1.411364  -4.410824      2.326625  
1 1 1 27  17 6  o 27.29811 1.298571  7.454525       0.7059569 6.645580       0.9533341 8.436708       1.050466  -3.258453      2.597142  
1 1 1 27  17 7  o 31.42515 1.245525  9.961465       0.7820691 10.31160       1.096565  9.598996       1.115710  1.138037       2.491050  
1 1 1 27  17 8  o 35.83308 1.187584  12.94110       0.8504887 13.40380       1.197152  12.46961       1.208473  1.305943       2.375169  
1 1 1 27  17 9  o 33.54081 1.200219  11.33103       0.8038869 11.25597       1.104961  11.41543       1.171708  -0.2227402     2.400439  
1 1 1 27  17 10 o 21.58765 1.545724  4.679781       0.6633883 4.034783       0.8961268 5.461834       0.9867528 -3.278030      3.091447  
1 1 1 27  17 11 o 13.23646 2.270006  1.844857       0.6034832 1.328567       0.8221414 2.448046       0.8886407 -3.928775      4.540013  
1 1 1 27  17 12 o 26.59019 1.347532  7.108264       0.7131274 6.185450       0.9747724 8.170914       1.046022  -3.714031      2.695064  
1 1 1 27  17 13 o 25.92703 1.394560  6.781610       0.7217917 6.251270       0.9924352 7.377151       1.051674  -2.153267      2.789120  
1 1 1 27  17 14 o 51.18224 1.196132  26.33944       1.222102  28.58483       1.786446  24.36427       1.675509  4.093491       2.392264  
1 1 1 27  17 15 o 12.06338 2.319493  1.567611       0.5770906 1.743050       0.7747043 1.348892       0.8649998 1.407450       4.638987  
1 1 1 27  17 16 f 61.65620 1.270282  38.39827       1.566155  39.28124       2.237444  37.55005       2.192979  1.391014       2.540563  
1 1 1 27  17 17 f 15.94733 2.092158  2.672495       0.6514782 2.915619       0.9118183 2.418957       0.9311445 1.842511       4.184317  
1 1 1 27  17 18 o 23.84353 1.534122  5.778317       0.7314022 5.680843       1.020760  5.881164       1.048516  -0.4093361     3.068244  
1 1 1 27  17 19 o 34.62795 1.857891  12.13456       1.286699  12.13456       1.286699  ?              ?         ?              ?         
1 1 1 27  17 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  18 0  o 32.59745 1.243369  10.68982       0.8092813 10.42923       1.107891  10.98793       1.184988  -0.8402977     2.486737  
1 1 1 27  18 1  f 30.95595 1.261153  9.674715       0.7757391 11.10596       1.110495  8.310695       1.084103  4.509090       2.522306  
1 1 1 27  18 2  o 24.46291 1.432367  6.072275       0.6957346 6.914969       0.9850337 5.233390       0.9828047 3.436438       2.864733  
1 1 1 27  18 3  o 26.30679 1.359037  7.012938       0.7114118 7.746336       0.9998122 6.260832       1.012484  2.826445       2.718075  
1 1 1 27  18 4  o 22.35336 1.494500  5.013346       0.6649261 4.398034       0.9001451 5.752331       0.9864672 -3.006474      2.989001  
1 1 1 27  18 5  o 14.76793 2.133458  2.264707       0.6244830 1.272036       0.8466696 3.449032       0.9247978 -7.313450      4.266916  
1 1 1 27  18 6  o 60.92174 1.261562  37.31147       1.534830  39.89125       2.241412  35.03385       2.106061  3.955048       2.523124  
1 1 1 27  18 7  o 26.54821 1.395407  7.120371       0.7403765 7.071121       1.026175  7.173843       1.069254  -0.1819572     2.790815  
1 1 1 27  18 8  o 45.98763 1.209021  21.29947       1.110572  22.86499       1.596376  19.83118       1.546008  3.286491       2.418041  
1 1 1 27  18 9  o 48.04912 1.203430  23.27374       1.156055  24.13882       1.644634  22.42882       1.625355  1.774803       2.406861  
1 1 1 27  18 10 o 29.64332 1.341119  8.897460       0.7913876 9.954102       1.125603  7.864557       1.112887  3.520987       2.682238  
1 1 1 27  18 11 o 47.73285 1.205773  22.98013       1.150442  22.70308       1.596290  23.27955       1.659490  -0.5870972     2.411546  
1 1 1 27  18 12 o 35.71418 1.238581  12.82772       0.8826243 12.16118       1.199023  13.61610       1.304015  -2.007927      2.477161  
1 1 1 27  18 13 o 21.00609 1.681636  4.491613       0.7006079 5.277672       1.010960  3.765245       0.9718173 3.585552       3.363271  
1 1 1 27  18 14 o 16.09253 2.127367  2.815250       0.6582069 4.429993       0.9493681 1.320656       0.9133656 9.564252       4.254734  
1 1 1 27  18 15 f 28.87520 1.364966  8.486610       0.7823174 9.631989       1.103194  7.327974       1.109561  3.991650       2.729931  
1 1 1 27  18 16 o 29.03191 1.390063  8.450180       0.7985496 6.882909       1.074804  10.38135       1.193073  -5.984287      2.780125  
1 1 1 27  18 17 o 26.69207 1.473801  7.207642       0.7853724 6.762514       1.073650  7.719961       1.151836  -1.764904      2.947602  
1 1 1 27  18 18 o 37.08167 3.055136  14.19619       2.265791  14.19619       2.265791  ?              ?         ?              ?         
1 1 1 27  18 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  19 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  19 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  19 2  o 12.26906 2.365780  1.578549       0.5980392 1.326030       0.8100980 1.880998       0.8865771 -2.001469      4.731560  
1 1 1 27  19 3  o 9.714622 2.428354  0.8601951      0.5904170 0.8819579      0.8202037 0.8367907      0.8505757 0.6651020E-01  4.856708  
1 1 1 27  19 4  f 39.77438 1.217182  15.88510       0.9661986 14.98229       1.315320  16.94320       1.423959  -2.439587      2.434365  
1 1 1 27  19 5  o 57.88221 1.251657  33.74381       1.446311  32.97377       1.977196  34.63007       2.121170  -1.395161      2.503315  
1 1 1 27  19 6  o 22.64753 1.578682  5.169061       0.7115890 4.508130       0.9688431 5.943220       1.048555  -3.143276      3.157363  
1 1 1 27  19 7  o 44.12712 1.218358  19.63634       1.074911  20.31426       1.528162  18.97243       1.512270  1.516491       2.436717  
1 1 1 27  19 8  o 20.38679 1.728617  4.250842       0.7011744 4.651087       0.9797652 3.830638       1.003896  2.021090       3.457234  
1 1 1 27  19 9  o 55.66183 1.266254  31.31065       1.408978  32.04974       1.979558  30.55175       2.005895  1.353069       2.532508  
1 1 1 27  19 10 o 16.62004 2.063642  2.857822       0.6668903 2.419944       0.9050871 3.377914       0.9864015 -3.101949      4.127284  
1 1 1 27  19 11 o 43.56252 1.242258  19.11223       1.079792  21.04677       1.566892  17.36264       1.490112  4.207405       2.484516  
1 1 1 27  19 12 o 10.77969 2.501494  1.174762       0.6239743 1.271251       0.8494655 1.061692       0.9195630 0.5769787      5.002989  
1 1 1 27  19 13 o 32.42255 1.316927  10.64389       0.8528911 10.85173       1.184240  10.41991       1.229366  0.6800346      2.633855  
1 1 1 27  19 14 o 42.07917 1.248708  17.88819       1.048624  17.69551       1.433220  18.11015       1.538308  -0.4598312     2.497416  
1 1 1 27  19 15 o 43.31470 1.252241  18.93702       1.083740  18.27273       1.492632  19.67763       1.576049  -1.595753      2.504483  
1 1 1 27  19 16 o 18.58911 4.460666  3.828517       1.639715  3.828517       1.639715  ?              ?         ?              ?         
1 1 1 27  19 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  20 0  f 49.82782 1.221427  25.03481       1.216012  26.49183       1.729609  23.61071       1.709962  2.886433       2.442853  
1 1 1 27  20 1  o 10.25689 3.577855  0.9873874      0.9040560 0.9873874      0.9040560 ?              ?         ?              ?         
1 1 1 27  20 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  20 3  o 29.64408 3.508731  0.000000       0.000000  ?              ?         9.094209       2.080262  ?              ?         
1 1 1 27  20 4  o 44.85178 1.252109  20.28398       1.122563  19.84504       1.556336  20.75999       1.620707  -1.003429      2.504218  
1 1 1 27  20 5  o 23.48522 1.576134  5.461894       0.7307893 4.512846       0.9551322 6.801950       1.134961  -4.812445      3.152269  
1 1 1 27  20 6  o 65.68623 1.329437  43.55249       1.743708  42.36140       2.387013  44.91534       2.553329  -1.894646      2.658873  
1 1 1 27  20 7  o 28.77788 1.369685  8.390636       0.7819716 8.473864       1.044887  8.284682       1.178962  0.3693008      2.739370  
1 1 1 27  20 8  o 15.60295 2.255065  2.595715       0.6773563 2.591022       0.9109832 2.601517       1.012965  0.5545616E-01  4.510130  
1 1 1 27  20 9  o 55.72057 1.269222  31.35301       1.413492  30.99216       1.958847  31.74502       2.041685  -0.6518288     2.538443  
1 1 1 27  20 10 o 38.37341 1.314481  14.89554       1.007136  16.02920       1.435683  13.79712       1.413194  2.901505       2.628961  
1 1 1 27  20 11 o 23.24505 1.647038  5.545590       0.7580383 6.364760       1.064618  4.703211       1.079595  3.579910       3.294076  
1 1 1 27  20 12 o 14.15151 2.321483  2.162303       0.6817977 3.033447       0.9508859 1.240571       0.9781052 6.064196       4.642966  
1 1 1 27  20 13 o 37.57339 1.318539  14.29262       0.9900062 15.03060       1.405317  13.56553       1.394902  1.946217       2.637078  
1 1 1 27  20 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  20 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  21 0  o 43.98548 1.240316  19.53765       1.090252  20.22906       1.532421  18.82895       1.551453  1.596481       2.480633  
1 1 1 27  21 1  f 39.17113 1.264437  15.49752       0.9901549 15.61625       1.383162  15.37272       1.418071  0.3204231      2.528874  
1 1 1 27  21 2  o 29.01682 1.383467  8.543308       0.7967236 8.712075       1.069135  8.332543       1.194781  0.6926403      2.766935  
1 1 1 27  21 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  21 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  21 5  o 18.90823 2.738195  0.000000       0.000000  ?              ?         3.659302       1.035489  ?              ?         
1 1 1 27  21 6  o 40.60038 1.292002  16.60368       1.047312  15.61640       1.432285  17.73812       1.535324  -2.582756      2.584004  
1 1 1 27  21 7  o 18.99293 1.983724  3.801934       0.7216215 4.436512       1.000751  3.114596       1.041523  3.747538       3.967448  
1 1 1 27  21 8  o 68.08170 1.375008  46.94216       1.871977  48.09154       2.662008  45.81771       2.632982  1.660316       2.750015  
1 1 1 27  21 9  o 11.96720 2.597115  1.555030       0.7283568 2.096821       0.9115896 0.5985237      1.211231  3.952276       5.194230  
1 1 1 27  21 10 o 35.33437 1.768142  12.75690       1.247732  13.69532       1.784599  11.85948       1.745180  2.580395       3.536284  
1 1 1 27  21 11 f 60.92410 1.838866  37.98816       2.240288  38.35528       3.151528  37.61316       3.185233  0.6241646      3.677733  
1 1 1 27  21 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  22 0  o 49.63856 1.268159  24.83119       1.257197  26.74431       1.823036  23.09630       1.736043  3.650257       2.536317  
1 1 1 27  22 1  o 10.10375 2.550936  0.9200662      0.6559041 1.117620       0.9279080 0.7227846      0.9272694 1.165658       5.101871  
1 1 1 27  22 2  o 8.778372 2.569454  0.2408881      0.7534457 -0.5387286     1.273520  0.6607183      0.9345486 -1.171502      5.138907  
1 1 1 27  22 3  o 45.26630 1.843153  0.000000       0.000000  ?              ?         20.71807       1.668655  ?              ?         
1 1 1 27  22 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  22 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  22 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  22 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  22 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  22 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  22 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  23 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  23 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  23 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  23 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  23 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  23 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  23 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  23 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  24 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  24 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 27  24 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  0  0  o 20.89953 0.8545862 4.408934       0.3544496 4.217678       0.4906500 4.617690       0.5126053 -0.000000      0.000000  
1 1 1 28  0  1  o 12.11648 1.183983  1.532982       0.2789021 1.464845       0.3889772 1.605077       0.4001130 -0.000000      0.000000  
1 1 1 28  0  2  o 33.86172 0.8100427 11.51427       0.5471206 11.46518       0.7660353 11.56539       0.7816931 -0.000000      0.000000  
1 1 1 28  0  3  o 45.10431 0.8890713 20.41127       0.8004930 20.31318       1.120160  20.51365       1.144364  -0.000000      0.000000  
1 1 1 28  0  4  f 57.30820 1.013457  32.95147       1.159920  32.88644       1.631623  33.01791       1.649268  -0.000000      0.000000  
1 1 1 28  0  5  f 18.26273 0.9143732 3.376685       0.3297590 3.076041       0.4522540 3.717968       0.4818512 -0.000000      0.000000  
1 1 1 28  0  6  o 17.66217 0.9623991 3.158789       0.3339696 2.734465       0.4542138 3.658154       0.4927441 -0.000000      0.000000  
1 1 1 28  0  7  f 9.807413 1.639466  1.111965       0.2786305 1.121096       0.3865341 1.102088       0.4020073 -0.000000      0.000000  
1 1 1 28  0  8  o 59.81287 1.042671  35.83986       1.244103  34.68856       1.708834  37.13837       1.814798  -0.000000      0.000000  
1 1 1 28  0  9  o 19.70027 0.9128697 3.928625       0.3561172 3.782629       0.4896175 4.092611       0.5189096 -0.000000      0.000000  
1 1 1 28  0  10 o 44.78327 1.256706  20.13020       1.123630  20.13020       1.123630  20.13020       1.123630  -0.000000      0.000000  
1 1 1 28  0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  0  12 o 56.43420 1.428346  31.97062       1.609862  31.97062       1.609862  31.97062       1.609862  -0.000000      0.000000  
1 1 1 28  0  13 o 64.38511 1.102494  41.61099       1.417489  42.18397       2.031938  41.06780       1.978397  -0.000000      0.000000  
1 1 1 28  0  14 o 51.28225 0.9593512 26.40057       0.9823803 26.49391       1.397265  26.30934       1.381461  -0.000000      0.000000  
1 1 1 28  0  15 o 18.92076 0.9754077 3.634126       0.3645480 3.931498       0.5299002 3.366921       0.5023036 -0.000000      0.000000  
1 1 1 28  0  16 o 24.49302 0.8364989 5.997115       0.4053720 6.530049       0.6149389 5.587549       0.5390860 -0.000000      0.000000  
1 1 1 28  0  17 o 91.11781 1.445971  83.19028       2.624261  79.34039       3.548787  87.83591       3.898320  -0.000000      0.000000  
1 1 1 28  0  18 o 8.681538 1.902880  0.9777811      0.2918927 0.8116721      0.4545938 1.094308       0.3807505 -0.000000      0.000000  
1 1 1 28  0  19 f 53.49025 0.9820318 28.74280       1.048818  28.45055       1.492807  29.02768       1.473879  -0.000000      0.000000  
1 1 1 28  0  20 f 25.32878 0.8509143 6.475026       0.4272904 6.415462       0.6310616 6.525452       0.5806419 -0.000000      0.000000  
1 1 1 28  0  21 o 34.15913 0.8479939 11.74445       0.5771912 11.36059       0.8253492 12.11187       0.8074872 -0.000000      0.000000  
1 1 1 28  0  22 o 60.34536 1.063836  36.58347       1.281513  37.00017       1.846604  36.19633       1.779901  -0.000000      0.000000  
1 1 1 28  0  23 o 9.725000 1.760885  1.291608       0.3210319 0.5310870      0.4811819 1.901694       0.4309718 -0.000000      0.000000  
1 1 1 28  0  24 o 81.58160 1.330292  67.02702       2.167878  67.01783       3.080844  67.03603       3.051057  -0.000000      0.000000  
1 1 1 28  0  25 o 3.939026 1.760012  0.5998996E-01  0.2983006 -0.1422360     0.4552211 0.2121741      0.3949014 -0.000000      0.000000  
1 1 1 28  0  26 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  0  27 o 5.264013 1.912773  0.3612632      0.3186504 -0.2634815     0.5614070 0.6581901      0.3870359 -0.000000      0.000000  
1 1 1 28  0  28 o 47.10806 0.9445582 22.32068       0.8880786 21.97334       1.264811  22.65844       1.247239  -0.000000      0.000000  
1 1 1 28  0  29 o 27.56595 0.9145958 7.679852       0.5008917 7.509401       0.7261887 7.834540       0.6917978 -0.000000      0.000000  
1 1 1 28  1  0  o 69.78216 0.8206186 48.77066       1.145214  48.39738       1.608279  49.15461       1.631116  -0.5409546     1.641237  
1 1 1 28  1  1  o 30.16922 0.5663457 9.107457       0.3416909 9.235616       0.4873563 8.983555       0.4791948 0.4173336      1.132691  
1 1 1 28  1  2  o 41.18378 0.6061678 16.89536       0.4980132 15.80547       0.6757447 18.19111       0.7368041 -2.892910      1.212336  
1 1 1 28  1  3  o 39.68288 0.5977469 15.56231       0.4712861 17.67829       0.7175624 13.95711       0.6249852 4.683262       1.195494  
1 1 1 28  1  4  o 22.91896 0.5848311 5.255946       0.2679544 5.038199       0.3752795 5.482412       0.3827197 -0.9686527     1.169662  
1 1 1 28  1  5  o 16.54116 0.6953394 2.754402       0.2256007 3.471394       0.3259200 2.094850       0.3125923 4.160020       1.390679  
1 1 1 28  1  6  o 50.36519 0.6626102 25.39681       0.6674012 25.16129       0.9369600 25.63938       0.9508896 -0.4736557     1.325220  
1 1 1 28  1  7  o 21.45633 0.6107176 4.606168       0.2618794 4.361080       0.3658147 4.863806       0.3750652 -1.170895      1.221435  
1 1 1 28  1  8  o 38.14128 0.5959969 14.56374       0.4546337 14.63066       0.6453013 14.49779       0.6406225 0.1738663      1.191994  
1 1 1 28  1  9  f 44.25641 0.8965061 19.57177       0.7918926 18.62432       1.078421  20.68045       1.166578  -2.313633      1.793012  
1 1 1 28  1  10 o 35.53206 0.7636362 12.34936       0.5227112 11.59751       0.6479368 13.75068       0.8845754 -3.007648      1.527272  
1 1 1 28  1  11 o 67.48226 0.8016774 45.60468       1.081303  44.55103       1.497323  46.75305       1.563190  -1.624741      1.603355  
1 1 1 28  1  12 o 86.13217 1.192792  74.46765       1.933636  74.23352       2.362705  74.94251       3.364893  -0.2537384     2.385584  
1 1 1 28  1  13 o 75.35739 1.233127  57.10483       1.858139  57.84446       2.659944  56.39991       2.596806  0.9478683      2.466255  
1 1 1 28  1  14 o 46.25885 0.7851259 21.37756       0.6862400 21.67508       1.187462  21.22837       0.8408731 0.4452133      1.570252  
1 1 1 28  1  15 o 62.19706 0.7599223 38.72128       0.9444309 40.04105       1.372041  37.53289       1.301966  2.008545       1.519845  
1 1 1 28  1  16 o 24.57220 0.6053037 6.049418       0.2960413 6.854265       0.4249503 5.290483       0.4126518 3.180925       1.210607  
1 1 1 28  1  17 o 20.55502 0.6436056 4.239621       0.2641324 4.391172       0.3673830 4.077468       0.3800164 0.7643623      1.287211  
1 1 1 28  1  18 o 73.03651 0.8537156 53.52743       1.246989  53.89186       1.774048  53.17154       1.753156  0.4900742      1.707431  
1 1 1 28  1  19 o 47.57400 0.6511580 22.60282       0.6183584 21.45099       0.8429655 23.94465       0.9098403 -2.613152      1.302316  
1 1 1 28  1  20 o 9.590989 1.095698  0.9398174      0.2053301 1.010335       0.2909017 0.8698032      0.2898624 0.8683472      2.191396  
1 1 1 28  1  21 o 38.41462 0.6139092 14.70300       0.4703346 13.48822       0.6386324 16.14283       0.6952792 -3.448814      1.227818  
1 1 1 28  1  22 o 27.18605 0.6026815 7.406010       0.3276765 7.344685       0.4641203 7.466960       0.4626921 -0.2250538     1.205363  
1 1 1 28  1  23 o 59.39901 0.7449993 35.38843       0.8849379 35.71593       1.263330  35.07292       1.239979  0.5377655      1.489999  
1 1 1 28  1  24 o 19.84301 0.6725512 3.945279       0.2667533 4.138741       0.3829050 3.762846       0.3718309 0.9455299      1.345102  
1 1 1 28  1  25 o 21.50980 0.9911965 4.709241       0.4169332 3.549140       0.5847632 5.908805       0.5946256 -5.482986      1.982393  
1 1 1 28  1  26 o 26.35154 0.6214714 6.962070       0.3274997 7.056445       0.4622097 6.866920       0.4641053 0.3598785      1.242943  
1 1 1 28  1  27 o 13.27909 1.212215  1.850861       0.3054662 2.054079       0.3896811 1.526952       0.4919711 2.014171       2.424430  
1 1 1 28  1  28 o 10.46661 1.262596  1.078614       0.2535036 1.434504       0.4068504 0.8527574      0.3241104 2.899365       2.525192  
1 1 1 28  1  29 f 20.59792 0.8138924 4.373801       0.3249808 4.846561       0.4259646 3.715390       0.5026913 2.761118       1.627785  
1 1 1 28  2  0  f 46.37579 0.6341510 21.51269       0.5879525 20.96363       0.8176156 22.10067       0.8460965 -1.224331      1.268302  
1 1 1 28  2  1  f 30.67488 0.5685371 9.404175       0.3485326 9.904578       0.5030299 8.942145       0.4833576 1.567757       1.137074  
1 1 1 28  2  2  o 37.99978 0.5874619 14.38442       0.4453650 13.44432       0.6047767 15.49830       0.6583050 -2.699669      1.174924  
1 1 1 28  2  3  o 34.32885 0.5756248 11.78881       0.3950881 11.51928       0.5504592 12.07518       0.5674039 -0.8087082     1.151250  
1 1 1 28  2  4  o 56.77448 0.7107340 32.28071       0.8070307 32.25688       1.140916  32.30457       1.141713  -0.4194260E-01 1.421468  
1 1 1 28  2  5  o 50.21259 0.6601048 25.24558       0.6629103 25.26734       0.9368680 25.22376       0.9381267 0.4349136E-01  1.320210  
1 1 1 28  2  6  f 8.049174 1.445288  0.7006902      0.2222160 0.5626184      0.4073051 0.7592048      0.2651550 -1.017912      2.890577  
1 1 1 28  2  7  o 54.73618 1.003142  30.03620       1.097831  30.83948       1.575862  29.27873       1.530276  1.420692       2.006284  
1 1 1 28  2  8  o 82.00981 1.330024  67.39061       2.175611  70.94035       3.223629  64.42128       2.948327  3.932655       2.660049  
1 1 1 28  2  9  o 24.93720 0.5887911 6.229147       0.2932140 6.663508       0.4166930 5.803132       0.4126708 1.724804       1.177582  
1 1 1 28  2  10 o 42.01614 0.6148075 17.66508       0.5164578 18.26188       0.7411457 17.10174       0.7200733 1.378963       1.229615  
1 1 1 28  2  11 o 57.54165 0.7207313 33.15667       0.8291591 32.54838       1.154369  33.80498       1.191740  -1.088398      1.441463  
1 1 1 28  2  12 o 35.66621 0.5940204 12.71203       0.4232773 12.16205       0.5825709 13.32701       0.6160393 -1.630466      1.188041  
1 1 1 28  2  13 o 57.31377 0.7187166 32.88456       0.8232998 32.14520       1.139429  33.69226       1.190920  -1.344593      1.437433  
1 1 1 28  2  14 o 17.30054 0.8901818 3.042703       0.3037800 3.363255       0.4123166 2.662103       0.4492790 2.030979       1.780364  
1 1 1 28  2  15 o 23.29842 0.7891846 5.304329       0.3630094 4.530196       0.4709428 6.437654       0.5698198 -4.082138      1.578369  
1 1 1 28  2  16 o 58.21482 0.7281087 33.96331       0.8477122 34.23065       1.204008  33.70050       1.193751  0.4542389      1.456217  
1 1 1 28  2  17 o 36.31226 0.5977111 13.13877       0.4328611 14.54173       0.6371999 11.93655       0.5898539 3.582691       1.195422  
1 1 1 28  2  18 o 42.97575 0.6281676 18.45177       0.5389819 17.63685       0.7361557 19.39335       0.7912989 -2.037632      1.256335  
1 1 1 28  2  19 o 69.24677 0.8884174 48.28143       1.222752  49.54010       1.652611  46.75887       1.817606  2.033951       1.776835  
1 1 1 28  2  20 o 18.17905 0.6781970 3.299294       0.2449467 2.800594       0.3357128 3.867020       0.3581930 -2.930428      1.356394  
1 1 1 28  2  21 o 11.83178 0.8832307 1.405630       0.2090033 1.407410       0.2959877 1.403860       0.2951645 0.1486874E-01  1.766461  
1 1 1 28  2  22 o 31.39734 0.5888294 9.875527       0.3697095 10.09286       0.5260788 9.663457       0.5196764 0.6830730      1.177659  
1 1 1 28  2  23 o 12.61715 1.368598  1.818042       0.2763328 1.306782       0.5395046 1.999870       0.3217408 -2.996724      2.737195  
1 1 1 28  2  24 o 7.145884 1.575207  0.4732580      0.2500267 0.3175546      0.3194893 0.7193024      0.4016189 -2.294459      3.150413  
1 1 1 28  2  25 o 18.17552 0.7156190 3.326237       0.2591057 3.606833       0.3626252 3.033546       0.3703586 1.578299       1.431238  
1 1 1 28  2  26 o 51.14482 0.6922956 26.17065       0.7070504 25.03534       0.9675270 27.47183       1.035801  -2.371090      1.384591  
1 1 1 28  2  27 o 9.901440 1.106730  0.9900213      0.2187950 1.015161       0.3032284 0.9627176      0.3160133 0.2683153      2.213460  
1 1 1 28  2  28 o 27.66049 0.8546122 7.728142       0.4703738 8.268134       0.6494802 7.132478       0.6821387 2.059700       1.709224  
1 1 1 28  2  29 o 28.54133 1.118078  8.091691       0.5933076 8.563375       1.069235  7.881846       0.7131752 1.094942       2.236156  
1 1 1 28  3  0  o 39.30795 0.5931458 15.37226       0.4648973 16.80089       0.6899111 14.18400       0.6292027 3.325523       1.186292  
1 1 1 28  3  1  o 41.17520 0.6027564 16.87629       0.4948748 15.76600       0.6689653 18.21831       0.7354695 -2.974209      1.205513  
1 1 1 28  3  2  o 14.81531 0.6812752 2.196610       0.2017663 2.164914       0.2801930 2.230749       0.2907827 -0.2214909     1.362550  
1 1 1 28  3  3  f 19.41562 0.6040230 3.770940       0.2327759 4.424540       0.3369645 3.174329       0.3219389 3.218693       1.208046  
1 1 1 28  3  4  o 46.89240 0.8003962 22.21120       0.7051187 21.49712       1.219638  22.56971       0.8641806 -1.172653      1.600792  
1 1 1 28  3  5  o 30.01075 0.8745270 9.014789       0.5237847 9.871663       0.7550367 8.219859       0.7272324 2.749468       1.749054  
1 1 1 28  3  6  o 48.86084 0.8228421 23.76569       0.7403637 23.52398       0.8859194 24.32539       1.348114  -0.7800179     1.645684  
1 1 1 28  3  7  o 24.28609 0.5773523 5.877712       0.2777548 7.093460       0.4076372 4.824109       0.3794815 4.670322       1.154705  
1 1 1 28  3  8  o 32.56567 0.5661272 10.61659       0.3686148 10.96400       0.5232748 10.27437       0.5193475 1.058559       1.132254  
1 1 1 28  3  9  o 55.06892 0.6979754 30.29986       0.7675847 31.76817       1.123793  29.01579       1.050925  2.492886       1.395951  
1 1 1 28  3  10 o 19.53980 0.6225625 3.839656       0.2421769 4.191669       0.3387965 3.471864       0.3463067 1.842482       1.245125  
1 1 1 28  3  11 o 62.46255 0.7580272 39.09863       0.9469517 39.40483       1.341863  38.79486       1.336537  0.4877319      1.516054  
1 1 1 28  3  12 o 20.76879 0.6045755 4.334749       0.2501396 4.550152       0.3445640 4.094736       0.3637140 1.097956       1.209151  
1 1 1 28  3  13 f 40.08268 0.5999722 16.08420       0.4808546 16.58949       0.6857757 15.59550       0.6744285 1.238995       1.199944  
1 1 1 28  3  14 o 8.090797 1.131372  0.7615056      0.1819730 1.169446       0.2424720 0.2354388      0.2753491 5.419074       2.262745  
1 1 1 28  3  15 f 38.33236 0.7053967 14.74768       0.5171201 14.80565       0.6439467 14.64241       0.8677760 0.2357521      1.410793  
1 1 1 28  3  16 o 25.69629 0.7345139 6.560716       0.3754647 6.086226       0.5003245 7.172424       0.5680804 -2.106039      1.469028  
1 1 1 28  3  17 o 18.23946 0.7245688 3.313583       0.2627487 3.522352       0.3981104 3.152467       0.3497370 1.008257       1.449138  
1 1 1 28  3  18 o 31.57032 0.5868517 9.983993       0.3704146 9.992744       0.5172300 9.974775       0.5307209 0.2983856E-01  1.173703  
1 1 1 28  3  19 o 31.96833 0.5932634 10.23349       0.3789232 10.88945       0.5419151 9.605970       0.5300390 2.006191       1.186527  
1 1 1 28  3  20 o 21.06416 0.6398888 4.444143       0.2687944 4.420099       0.3659937 4.472298       0.3960479 -0.1204758     1.279778  
1 1 1 28  3  21 o 45.97771 0.6475383 21.13624       0.5946468 22.17022       0.8689162 20.22540       0.8155350 2.108456       1.295077  
1 1 1 28  3  22 o 16.62230 1.188760  2.849894       0.3853180 2.398371       0.5833141 3.199439       0.5132324 -2.425848      2.377520  
1 1 1 28  3  23 o 38.49220 0.7631934 15.18644       0.5579237 15.97643       0.6986123 13.79541       0.9270303 2.868053       1.526387  
1 1 1 28  3  24 o 34.34911 0.6020017 11.82215       0.4134963 12.11200       0.5902125 11.54274       0.5794794 0.8271980      1.204003  
1 1 1 28  3  25 o 6.158083 1.395656  0.3707213      0.2015124 0.4977291      0.2727455 0.2180569      0.2990277 1.504409       2.791312  
1 1 1 28  3  26 o 12.42757 1.232345  1.511390       0.2899088 1.089010       0.3724757 2.160488       0.4617439 -4.422758      2.464691  
1 1 1 28  3  27 o 13.05368 0.8913253 1.718450       0.2319467 1.794139       0.3201298 1.634807       0.3365286 0.6139460      1.782651  
1 1 1 28  3  28 o 20.50767 0.6920195 4.242424       0.2812176 4.923878       0.3989284 3.569287       0.3964862 3.302237       1.384039  
1 1 1 28  3  29 o 21.20983 1.341553  0.000000       0.000000  ?              ?         4.527800       0.5690823 ?              ?         
1 1 1 28  4  0  o 19.20234 0.6033603 3.698766       0.2299542 4.294661       0.3294356 3.132532       0.3211322 3.025557       1.206721  
1 1 1 28  4  1  o 36.52584 0.5778408 13.33183       0.4217785 14.01742       0.6104105 12.70542       0.5834709 1.794506       1.155682  
1 1 1 28  4  2  o 60.22730 0.9739410 36.56731       1.155227  35.18010       1.778668  37.57944       1.519296  -2.016903      1.947882  
1 1 1 28  4  3  o 17.85332 1.087052  3.199787       0.3873962 3.221681       0.5325535 3.175180       0.5645692 0.1338158      2.174104  
1 1 1 28  4  4  o 30.68240 0.7492778 9.151728       0.4048951 8.859680       0.4681975 10.01801       0.8063647 -1.861616      1.498556  
1 1 1 28  4  5  o 40.16269 0.5934125 16.14671       0.4766419 16.35138       0.6763908 15.94482       0.6717798 0.5058517      1.186825  
1 1 1 28  4  6  o 15.66775 0.6570655 2.439921       0.2030919 1.924467       0.2751614 3.056752       0.3010063 -3.611587      1.314131  
1 1 1 28  4  7  o 17.84195 0.6078390 3.182416       0.2166907 3.084300       0.2985314 3.291674       0.3150276 -0.5799999     1.215678  
1 1 1 28  4  8  o 32.26192 0.5583420 10.40422       0.3597337 11.23325       0.5186577 9.635713       0.4993709 2.474606       1.116684  
1 1 1 28  4  9  o 20.72226 0.5762728 4.321617       0.2374901 4.592280       0.3260026 4.015543       0.3466730 1.393053       1.152546  
1 1 1 28  4  10 o 50.48569 0.6610076 25.51141       0.6672030 26.31627       0.9578993 24.75298       0.9298603 1.545856       1.322015  
1 1 1 28  4  11 o 51.48241 0.6696676 26.53957       0.6893927 27.19055       0.9855105 25.91577       0.9647190 1.236206       1.339335  
1 1 1 28  4  12 o 13.95057 0.6942064 1.961733       0.1917811 2.047754       0.2572998 1.854204       0.2876738 0.6965504      1.388413  
1 1 1 28  4  13 o 45.03736 0.6270778 20.30867       0.5647334 20.85048       0.8061396 19.78653       0.7913723 1.179909       1.254156  
1 1 1 28  4  14 o 44.76800 0.6276054 20.05499       0.5615444 19.58576       0.7768124 20.56856       0.8126893 -1.094387      1.255211  
1 1 1 28  4  15 f 53.26283 0.6888303 28.32423       0.7322925 30.02660       1.078438  26.86772       0.9975246 2.957191       1.377661  
1 1 1 28  4  16 f 30.87115 0.5766830 9.545789       0.3558485 9.595498       0.4955458 9.492865       0.5113161 0.1676311      1.153366  
1 1 1 28  4  17 f 29.13909 0.7319197 8.450491       0.4241747 7.961959       0.5650203 9.081388       0.6420907 -1.911377      1.463839  
1 1 1 28  4  18 o 16.30959 0.7761747 2.680002       0.2520283 2.892386       0.3504784 2.452574       0.3626784 1.349978       1.552349  
1 1 1 28  4  19 o 22.12617 0.6135026 4.909821       0.2708558 4.983443       0.3721707 4.826915       0.3949383 0.3561802      1.227005  
1 1 1 28  4  20 o 22.80750 0.7034500 5.192725       0.3138027 5.320214       0.5017667 5.110831       0.4021524 0.4464149      1.406900  
1 1 1 28  4  21 o 24.09561 1.018027  5.828115       0.4901147 6.185504       0.7094185 5.501769       0.6779084 1.412643       2.036055  
1 1 1 28  4  22 f 36.16993 0.6020199 13.05890       0.4346451 14.14661       0.6370544 12.11162       0.5945106 2.807991       1.204040  
1 1 1 28  4  23 o 33.73530 0.5924906 11.40479       0.3997362 11.55246       0.5658833 11.25773       0.5647431 0.4366913      1.184981  
1 1 1 28  4  24 o 28.95090 0.7754080 8.418944       0.4476201 8.489017       0.6111925 8.337877       0.6573899 0.2689972      1.550816  
1 1 1 28  4  25 o 27.39996 0.6101441 7.526297       0.3342412 7.567902       0.4672757 7.482707       0.4782939 0.1569691      1.220288  
1 1 1 28  4  26 o 22.19117 0.6510019 4.939455       0.2886742 4.964209       0.4004685 4.912679       0.4164971 0.1185665      1.302004  
1 1 1 28  4  27 o 20.77805 0.6617638 4.331605       0.2748355 4.355777       0.3826520 4.305848       0.3949939 0.1222095      1.323528  
1 1 1 28  4  28 o 13.42941 0.8811321 1.827169       0.2348127 2.003028       0.3239915 1.632594       0.3407961 1.382777       1.762264  
1 1 1 28  4  29 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  5  0  o 21.65395 0.9912874 4.700897       0.4290501 4.923835       0.6109985 4.484028       0.6026252 1.014742       1.982575  
1 1 1 28  5  1  f 19.35070 0.9068871 3.824497       0.3168209 3.924377       0.3772778 3.585585       0.5835012 0.8934040      1.813774  
1 1 1 28  5  2  o 28.60169 0.5469534 8.188463       0.3127867 8.436493       0.4433216 7.942603       0.4413791 0.8632813      1.093907  
1 1 1 28  5  3  o 24.67757 0.5485842 6.060697       0.2699762 5.608472       0.3657175 6.602272       0.4002190 -2.011591      1.097168  
1 1 1 28  5  4  o 33.55385 0.5605235 11.26308       0.3759718 11.77056       0.5380068 10.77870       0.5256184 1.477280       1.121047  
1 1 1 28  5  5  o 35.16102 0.5687514 12.26546       0.3981273 11.18339       0.5333250 13.62744       0.5983413 -3.471493      1.137503  
1 1 1 28  5  6  o 12.30780 0.6821573 1.509808       0.1668897 1.455425       0.2223378 1.579991       0.2525795 -0.5037193     1.364315  
1 1 1 28  5  7  o 56.77206 0.7071072 32.14512       0.8003969 30.61772       1.081537  33.99453       1.190099  -2.965023      1.414214  
1 1 1 28  5  8  o 28.58162 0.5444180 8.180746       0.3108485 8.251256       0.4304435 8.103895       0.4493800 0.2590389      1.088836  
1 1 1 28  5  9  o 29.11965 0.5447567 8.494348       0.3167423 9.102249       0.4497725 7.896248       0.4461322 2.070515       1.089513  
1 1 1 28  5  10 o 26.21328 0.5437533 6.885336       0.2847308 7.039021       0.3959107 6.720688       0.4097881 0.6081944      1.087507  
1 1 1 28  5  11 o 21.47107 1.038095  4.650958       0.4435404 5.083021       0.6193714 4.196157       0.6354597 2.067503       2.076190  
1 1 1 28  5  12 o 41.37299 0.6649442 17.05090       0.5363623 16.72866       0.6828839 17.56981       0.8665804 -0.9998779     1.329888  
1 1 1 28  5  13 o 42.17061 0.6101424 17.78548       0.5140991 17.27730       0.7082615 18.35139       0.7474088 -1.270111      1.220285  
1 1 1 28  5  14 o 12.43810 0.7452815 1.548432       0.1839040 1.533713       0.2444784 1.567615       0.2791075 -0.1325140     1.490563  
1 1 1 28  5  15 o 18.32072 0.6090488 3.365046       0.2222790 3.400465       0.3020880 3.323229       0.3282376 0.2131596      1.218098  
1 1 1 28  5  16 o 32.82477 0.5769455 10.63318       0.3757876 9.531323       0.4952349 12.12874       0.5769669 -3.948915      1.153891  
1 1 1 28  5  17 o 20.36626 0.6010514 4.131531       0.2437965 3.912547       0.3271332 4.405090       0.3656305 -1.205219      1.202103  
1 1 1 28  5  18 o 32.24918 0.6723226 10.61173       0.4203473 11.29606       0.5426976 9.585533       0.6645693 2.666267       1.344645  
1 1 1 28  5  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  5  20 o 32.96663 0.7930214 11.03892       0.4688084 11.21537       0.5543579 10.59588       0.8784233 0.9855423      1.586043  
1 1 1 28  5  21 o 28.30245 0.5923495 7.995277       0.3345096 7.596311       0.4543900 8.467322       0.4942564 -1.534117      1.184699  
1 1 1 28  5  22 o 23.39786 0.6813101 5.357271       0.3149319 6.458651       0.4930588 4.598284       0.4093054 3.964031       1.362620  
1 1 1 28  5  23 o 21.76833 0.6309842 4.696419       0.2729109 4.291959       0.3615544 5.232044       0.4160707 -2.151716      1.261968  
1 1 1 28  5  24 o 6.772721 1.330957  0.4617487      0.1855859 0.3760886      0.2414212 0.5854928      0.2901673 -1.390851      2.661913  
1 1 1 28  5  25 o 14.39452 0.7749870 2.093515       0.2210472 2.198321       0.2978120 1.964944       0.3298536 0.8162670      1.549974  
1 1 1 28  5  26 o 24.00403 0.6134737 5.779770       0.2940553 6.192068       0.4180203 5.375898       0.4137268 1.699432       1.226947  
1 1 1 28  5  27 o 22.70719 0.6367325 5.155854       0.2886712 4.768913       0.3971618 5.589207       0.4203062 -1.802565      1.273465  
1 1 1 28  5  28 o 14.31364 0.8915043 2.025917       0.2499421 1.901761       0.3184439 2.225121       0.4033666 -1.110816      1.783009  
1 1 1 28  6  0  o 50.27135 0.7780100 24.77868       0.7388564 26.93197       1.299480  23.75001       0.8981649 3.133598       1.556020  
1 1 1 28  6  1  o 33.08114 0.5568408 10.91590       0.3677301 10.33611       0.5017262 11.58887       0.5405377 -1.891247      1.113682  
1 1 1 28  6  2  o 34.84492 0.5602391 12.13248       0.3900105 12.94119       0.5636205 11.38947       0.5402384 2.225239       1.120478  
1 1 1 28  6  3  o 22.89009 0.5254894 5.212189       0.2397450 4.868109       0.3231129 5.633650       0.3576060 -1.670296      1.050979  
1 1 1 28  6  4  o 39.48228 0.5812586 15.53118       0.4579000 16.92609       0.6742167 14.33690       0.6238490 3.275761       1.162517  
1 1 1 28  6  5  o 12.49712 0.5823206 1.545090       0.1440281 1.444913       0.1881990 1.686700       0.2237582 -0.9650421     1.164641  
1 1 1 28  6  6  o 56.79764 0.7072701 32.30684       0.8033478 32.77091       1.145726  31.85802       1.126723  0.8020592      1.414540  
1 1 1 28  6  7  f 43.81739 0.6092628 19.20669       0.5335080 18.81336       0.7372761 19.63902       0.7729781 -0.9395332     1.218526  
1 1 1 28  6  8  o 66.76422 0.7926998 44.65046       1.058046  43.89219       1.471098  45.46301       1.522850  -1.171242      1.585400  
1 1 1 28  6  9  o 47.90862 0.6384645 22.92118       0.6105329 22.00331       0.8319995 23.99213       0.8987012 -2.070072      1.276929  
1 1 1 28  6  10 o 19.23539 0.5432769 3.680676       0.2082453 3.434159       0.2802961 3.984385       0.3111160 -1.427988      1.086554  
1 1 1 28  6  11 o 47.82202 0.6385813 22.68633       0.6070349 21.01846       0.8058992 24.87365       0.9229009 -4.020580      1.277163  
1 1 1 28  6  12 o 45.76178 0.6269659 20.90663       0.5725511 20.01320       0.7787898 21.95751       0.8446309 -2.118595      1.253932  
1 1 1 28  6  13 o 19.80507 0.5526850 3.945047       0.2179178 4.269660       0.3034312 3.599276       0.3131639 1.693235       1.105370  
1 1 1 28  6  14 o 52.47900 0.6785648 27.58453       0.7119837 27.26802       0.9923373 27.92032       1.022117  -0.6185150     1.357130  
1 1 1 28  6  15 o 33.82510 0.5703299 11.35751       0.3839083 10.47571       0.5126281 12.48370       0.5793262 -2.962292      1.140660  
1 1 1 28  6  16 o 15.64314 0.6441922 2.441731       0.1997468 2.379092       0.2638572 2.525819       0.3057108 -0.4644604     1.288384  
1 1 1 28  6  17 o 11.16283 1.852488  1.331230       0.4096560 1.052595       0.5933424 1.585034       0.5662864 -2.278650      3.704976  
1 1 1 28  6  18 o 18.47328 1.064858  3.669387       0.3365994 3.933397       0.3945311 2.963174       0.6452670 2.670036       2.129717  
1 1 1 28  6  19 o 59.16823 0.9982947 35.18753       1.181301  35.33932       1.665622  35.03391       1.675647  0.2598801      1.996589  
1 1 1 28  6  20 o 34.38965 0.7394221 11.73838       0.5050778 10.86769       0.6682401 12.89860       0.7713884 -2.938259      1.478844  
1 1 1 28  6  21 o 70.48184 0.8408341 49.87080       1.185211  49.50460       1.665929  50.24612       1.686543  -0.5225906     1.681668  
1 1 1 28  6  22 o 28.55801 0.5902667 8.089327       0.3351887 7.417801       0.4457214 8.963407       0.5085189 -2.698368      1.180533  
1 1 1 28  6  23 o 24.37713 0.6041784 5.937084       0.2938436 5.699182       0.3990625 6.218834       0.4342833 -1.061102      1.208357  
1 1 1 28  6  24 o 23.12877 0.6160994 5.242848       0.2817968 4.498193       0.3677547 6.301925       0.4385757 -3.889652      1.232199  
1 1 1 28  6  25 o 33.64604 0.5952334 11.33970       0.4003730 11.10980       0.5563549 11.58665       0.5766143 -0.7058144     1.190467  
1 1 1 28  6  26 o 43.57166 0.6406118 19.02389       0.5580111 18.43171       0.7758738 19.65839       0.8031252 -1.403286      1.281224  
1 1 1 28  6  27 o 11.89720 0.8894747 1.443694       0.2082464 1.578727       0.2796239 1.275532       0.3120461 1.281202       1.778949  
1 1 1 28  6  28 o 24.99950 1.140835  0.000000       0.000000  ?              ?         6.279041       0.5704061 ?              ?         
1 1 1 28  7  0  o 15.20176 0.5871055 2.298687       0.1768542 1.892857       0.2405893 2.775775       0.2608575 -2.902772      1.174211  
1 1 1 28  7  1  o 42.42706 0.7643735 18.02677       0.6484981 17.75672       0.9072149 18.30894       0.9273461 -0.6491737     1.528747  
1 1 1 28  7  2  o 32.08823 0.5906873 10.35288       0.3740446 10.01423       0.5728089 10.60464       0.4938812 -0.9249077     1.181375  
1 1 1 28  7  3  o 48.31364 1.002069  23.39986       0.9679292 24.25518       1.387272  22.58849       1.351159  1.720917       2.004138  
1 1 1 28  7  4  o 25.67344 1.010750  6.607333       0.5180081 6.527936       0.7091644 6.698152       0.7584664 -0.3258762     2.021500  
1 1 1 28  7  5  o 45.34001 0.9867159 20.45633       0.8911248 22.80760       1.331529  18.54886       1.199299  4.681221       1.973432  
1 1 1 28  7  6  o 39.22509 0.9529275 15.42401       0.7469889 15.19980       1.033103  15.66965       1.081351  -0.5933685     1.905855  
1 1 1 28  7  7  o 60.91344 1.116575  37.23863       1.359223  36.55544       1.878837  37.98880       1.968779  -1.163952      2.233149  
1 1 1 28  7  8  o 52.17506 1.035812  27.31995       1.080473  26.98055       1.504160  27.68178       1.553051  -0.6654053     2.071624  
1 1 1 28  7  9  o 57.05318 1.085404  32.69737       1.238474  32.87812       1.747627  32.51503       1.755330  0.3193321      2.170809  
1 1 1 28  7  10 o 89.01632 1.452726  79.84742       2.585394  78.63655       3.598730  81.13898       3.716724  -1.382278      2.905452  
1 1 1 28  7  11 o 20.64803 0.5074914 4.269735       0.2094094 4.325045       0.2915568 4.210798       0.3009665 0.2773170      1.014983  
1 1 1 28  7  12 o 55.47404 0.6961227 30.81096       0.7718922 30.16880       1.069905  31.50802       1.114714  -1.202549      1.392245  
1 1 1 28  7  13 o 31.65286 0.5420246 10.01574       0.3427535 9.718921       0.4714547 10.34850       0.4991864 -0.9923058     1.084049  
1 1 1 28  7  14 o 10.12981 0.6655611 0.9750282      0.1291493 0.6503932      0.1648022 1.491693       0.2079073 -4.148332      1.331122  
1 1 1 28  7  15 o 29.75053 0.7881836 8.421349       0.3953087 9.733881       0.8504732 8.059628       0.4464694 2.762791       1.576367  
1 1 1 28  7  16 o 15.13412 2.292684  2.320065       0.6939551 2.320065       0.6939551 ?              ?         ?              ?         
1 1 1 28  7  17 o 30.22858 0.5596410 9.150733       0.3380561 9.669765       0.4820241 8.648334       0.4742381 1.688747       1.119282  
1 1 1 28  7  18 o 60.39707 0.7476971 36.56699       0.9029789 37.23255       1.293576  35.93448       1.261055  1.070290       1.495394  
1 1 1 28  7  19 o 7.922178 1.028789  0.7377755      0.1509688 1.058015       0.1988348 0.3018637      0.2319819 4.702361       2.057577  
1 1 1 28  7  20 o 30.63084 0.5744920 9.331451       0.3505419 8.638516       0.4708453 10.19313       0.5250556 -2.531528      1.148984  
1 1 1 28  7  21 f 38.93160 1.101356  0.000000       0.000000  ?              ?         15.20902       0.8575512 ?              ?         
1 1 1 28  7  22 o 26.48721 0.5999242 7.030009       0.3177574 6.859632       0.4461525 7.205402       0.4526722 -0.6518478     1.199848  
1 1 1 28  7  23 o 13.16592 0.7491540 1.764324       0.1931532 1.884137       0.2541512 1.600496       0.2971902 1.084208       1.498308  
1 1 1 28  7  24 o 6.509640 1.099475  0.3397169      0.1643234 0.4558319E-01  0.2079425 0.8288351      0.2681500 -5.125298      2.198949  
1 1 1 28  7  25 o 14.45114 0.7287706 2.094347       0.2084722 2.085015       0.2755153 2.106847       0.3188598 -0.6794071E-01 1.457541  
1 1 1 28  7  26 o 36.24459 0.6040632 13.16768       0.4378252 13.36818       0.6252570 12.97480       0.6132736 0.5408630      1.208126  
1 1 1 28  7  27 o 12.67781 2.207891  1.444506       0.5521377 0.8338196      0.6663456 2.782325       0.9862547 -6.939496      4.415782  
1 1 1 28  8  0  o 57.05510 1.084067  32.58183       1.234802  31.31536       1.685769  34.04798       1.813799  -2.380043      2.168134  
1 1 1 28  8  1  o 50.54242 1.438625  25.62598       1.454231  25.62598       1.454231  ?              ?         ?              ?         
1 1 1 28  8  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  8  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  8  4  o 18.41556 1.773214  0.000000       0.000000  ?              ?         3.409122       0.6530946 ?              ?         
1 1 1 28  8  5  o 11.75865 1.747923  1.426537       0.4066887 1.046763       0.5631762 1.840402       0.5879101 -3.504961      3.495846  
1 1 1 28  8  6  o 45.93630 1.003718  21.14845       0.9210089 20.62878       1.265708  21.73327       1.342706  -1.192429      2.007436  
1 1 1 28  8  7  o 75.56239 1.289418  57.43611       1.948205  56.90470       2.722025  57.99422       2.789572  -0.7095413     2.578836  
1 1 1 28  8  8  o 41.11140 0.9834971 16.95203       0.8080291 17.92082       1.157983  16.03267       1.128056  2.292423       1.966994  
1 1 1 28  8  9  o 106.2247 1.690428  114.0626       3.590968  115.1785       5.121238  112.9833       5.036609  1.013802       3.380856  
1 1 1 28  8  10 f 41.50410 0.9971128 17.25345       0.8264543 18.61901       1.198723  16.01628       1.140980  3.127506       1.994226  
1 1 1 28  8  11 o 23.29166 1.109654  5.455910       0.5163552 5.540940       0.7171630 5.364384       0.7440519 0.3833199      2.219309  
1 1 1 28  8  12 o 22.78409 1.150970  5.251740       0.5206034 5.908453       0.7302396 4.572974       0.7423999 2.932758       2.301940  
1 1 1 28  8  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  8  14 o 19.82719 1.234845  3.953923       0.4878531 3.906023       0.6602451 4.011523       0.7240125 -0.2533283     2.469690  
1 1 1 28  8  15 o 9.942925 1.997234  1.015630       0.4210457 0.7715798      0.5759839 1.295703       0.6170300 -2.242580      3.994468  
1 1 1 28  8  16 o 9.910143 2.049737  1.011823       0.4352509 1.218902       0.6296355 0.8223060      0.6023464 1.665971       4.099473  
1 1 1 28  8  17 f 18.69384 1.331271  3.544948       0.4946178 3.932984       0.6921703 3.140040       0.7070578 2.124357       2.662543  
1 1 1 28  8  18 o 46.51753 1.029403  21.75198       0.9575856 21.38635       1.341679  22.13161       1.367141  -0.7962646     2.058807  
1 1 1 28  8  19 o 15.00716 0.5408174 2.244702       0.1616014 2.146055       0.2167315 2.368214       0.2425135 -0.7374678     1.081635  
1 1 1 28  8  20 o 22.55423 0.5384400 5.101496       0.2424123 5.471324       0.3430260 4.732543       0.3426199 1.637747       1.076880  
1 1 1 28  8  21 o 45.28905 0.6375610 20.56083       0.5774807 20.73196       0.8182913 20.39104       0.8150802 0.3759460      1.275122  
1 1 1 28  8  22 o 39.78755 0.7567027 15.80625       0.6006015 17.20422       0.8871612 14.62342       0.8160458 3.231239       1.513405  
1 1 1 28  8  23 o 5.242650 1.198726  0.2694170      0.1412915 0.2821494      0.1793068 0.2485615      0.2294842 0.4676533E-01  2.397452  
1 1 1 28  8  24 o 50.37585 0.6834015 25.36626       0.6872504 26.98898       1.010072  23.96748       0.9377860 2.987377       1.366803  
1 1 1 28  8  25 o 30.53991 1.096177  9.409628       0.6693165 9.580909       0.9404500 9.233827       0.9527836 0.5716419      2.192354  
1 1 1 28  8  26 o 7.871833 2.028622  0.3469009      0.4751651 -0.3684032     0.6893765 0.9943150      0.6558464 -3.871056      4.057244  
1 1 1 28  8  27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  9  0  o 20.41295 1.201815  4.170251       0.4832159 3.250741       0.6592382 5.237909       0.7103631 -4.860710      2.403631  
1 1 1 28  9  1  o 34.70034 0.9754754 12.03044       0.6756400 11.26457       0.9217433 12.91977       0.9932578 -2.377064      1.950951  
1 1 1 28  9  2  o 45.92326 1.014479  21.04198       0.9285322 19.78525       1.251019  22.58352       1.385547  -3.030735      2.028958  
1 1 1 28  9  3  o 17.67391 1.849201  3.141822       0.6536523 3.141822       0.6536523 ?              ?         ?              ?         
1 1 1 28  9  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  9  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  9  6  f 19.97975 1.249868  4.013659       0.4992146 3.966046       0.6939873 4.064715       0.7186508 -0.2428474     2.499735  
1 1 1 28  9  7  o 38.02756 1.000481  14.29147       0.7547216 12.72690       0.9937861 16.42347       1.160081  -4.837894      2.000962  
1 1 1 28  9  8  o 80.14628 1.360136  64.67595       2.179629  63.99739       3.041846  65.39199       3.124748  -0.8546448     2.720273  
1 1 1 28  9  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  9  10 o 84.38881 1.415518  71.79596       2.389011  72.27689       3.394147  71.32375       3.363208  0.5583878      2.831036  
1 1 1 28  9  11 o 67.29456 1.208760  45.55791       1.626811  46.05584       2.307832  45.06612       2.293551  0.7328339      2.417520  
1 1 1 28  9  12 o 29.90274 1.053836  8.982189       0.6292021 8.952132       0.8645641 9.016034       0.9174402 -0.9845924E-01 2.107673  
1 1 1 28  9  13 o 35.65100 1.018269  12.77650       0.7256737 13.09490       1.019266  12.44922       1.033395  0.9078827      2.036538  
1 1 1 28  9  14 f 12.15805 1.861445  1.579015       0.4402785 1.842641       0.6070569 1.286453       0.6395052 2.260709       3.722891  
1 1 1 28  9  15 o 33.20033 1.024102  11.08382       0.6797636 11.26081       0.9536663 10.90103       0.9691832 0.5446281      2.048205  
1 1 1 28  9  16 o 33.68761 1.021558  11.40755       0.6877711 11.40245       0.9544749 11.41305       0.9919154 -0.8975983E-02 2.043116  
1 1 1 28  9  17 o 10.92627 2.058484  1.247271       0.4671917 0.8931147      0.6470170 1.633076       0.6753082 -2.981175      4.116968  
1 1 1 28  9  18 f 6.403137 1.936059  -0.1650419E-01 0.4397604 -0.1047433     0.5987782 0.8682548E-01  0.6479595 -0.7317228     3.872117  
1 1 1 28  9  19 o 53.68069 1.092700  29.01046       1.173111  29.08670       1.654765  28.93342       1.663327  0.1446342      2.185400  
1 1 1 28  9  20 o 61.32765 1.165579  37.87414       1.428856  36.82819       1.980870  39.00868       2.063051  -1.757877      2.331158  
1 1 1 28  9  21 o 35.81369 1.061679  12.91234       0.7602577 12.68987       1.060567  13.14749       1.090386  -0.6318130     2.123358  
1 1 1 28  9  22 o 24.73783 1.199794  6.174314       0.5935385 6.046959       0.8362613 6.303593       0.8425545 -0.5170383     2.399588  
1 1 1 28  9  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  9  24 o 24.47059 1.716200  0.000000       0.000000  ?              ?         6.049569       0.8399286 ?              ?         
1 1 1 28  9  25 o 34.41236 1.087411  11.84995       0.7455568 13.12621       1.112866  10.81068       1.004235  3.335068       2.174822  
1 1 1 28  9  26 o 48.75756 1.615239  23.99113       1.575103  23.99113       1.575103  ?              ?         ?              ?         
1 1 1 28  10 0  o 27.73940 1.063889  7.720046       0.5899342 7.617797       0.8192189 7.830182       0.8502310 -0.3789558     2.127779  
1 1 1 28  10 1  o 32.79932 1.023197  10.76665       0.6698832 10.35037       0.9132415 11.25151       0.9856077 -1.364815      2.046395  
1 1 1 28  10 2  o 32.45087 1.044569  10.50812       0.6754079 9.878407       0.9084028 11.28655       1.009996  -2.156549      2.089138  
1 1 1 28  10 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  10 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  10 5  o 19.10406 1.842986  3.673155       0.7041702 3.673155       0.7041702 ?              ?         ?              ?         
1 1 1 28  10 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  10 7  o 36.46228 1.516503  0.000000       0.000000  ?              ?         13.35434       1.105903  ?              ?         
1 1 1 28  10 8  o 55.61736 1.112164  30.99551       1.234709  29.70026       1.683342  32.50385       1.816541  -2.499447      2.224328  
1 1 1 28  10 9  o 75.55302 1.312540  57.48848       1.983303  57.71822       2.801994  57.25779       2.807643  0.3057861      2.625080  
1 1 1 28  10 10 o 21.61047 1.251973  4.666080       0.5350156 3.765137       0.7257234 5.738678       0.7918462 -4.554119      2.503946  
1 1 1 28  10 11 o 47.52019 1.049923  22.63195       0.9958358 21.84746       1.357443  23.54617       1.465393  -1.770103      2.099846  
1 1 1 28  10 12 o 8.234605 2.076203  0.5756735      0.4363488 0.3960402      0.5993151 0.7783195      0.6365473 -1.495369      4.152406  
1 1 1 28  10 13 o 11.36267 1.953905  1.342248       0.4588200 0.7598071      0.6295607 2.002059       0.6700714 -4.943736      3.907810  
1 1 1 28  10 14 o 50.09492 1.066181  25.13313       1.065380  23.86890       1.443920  26.64379       1.578394  -2.744373      2.132362  
1 1 1 28  10 15 o 26.37238 1.122808  6.922441       0.5888255 6.271494       0.7837046 7.766225       0.8922683 -2.812338      2.245615  
1 1 1 28  10 16 f 48.41423 1.055590  23.56993       1.022020  24.01186       1.454173  23.13855       1.436693  0.8985710      2.111180  
1 1 1 28  10 17 o 12.15513 2.006503  1.593295       0.4819120 1.876996       0.6558712 1.260413       0.7104489 2.435496       4.013006  
1 1 1 28  10 18 o 33.21085 1.061628  11.09989       0.7050636 11.32462       0.9988763 10.87674       0.9953539 0.6735649      2.123256  
1 1 1 28  10 19 o 33.03918 1.081312  10.98828       0.7141864 10.93767       0.9940546 11.04228       1.026764  -0.1510658     2.162625  
1 1 1 28  10 20 o 13.69965 1.913820  1.991772       0.5050992 2.108525       0.6963219 1.862118       0.7337860 0.9379854      3.827640  
1 1 1 28  10 21 o 14.26855 1.862481  2.121091       0.5160473 1.675533       0.7160424 2.602620       0.7443849 -3.459490      3.724962  
1 1 1 28  10 22 o 15.20021 1.703641  2.356168       0.5169471 2.399393       0.7137750 2.308483       0.7496940 0.3129940      3.407282  
1 1 1 28  10 23 o 13.89127 1.992869  2.051365       0.5345281 2.235269       0.7583484 1.869781       0.7535481 1.317106       3.985738  
1 1 1 28  10 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  10 25 o 9.317858 2.324145  0.3570113      0.5960071 1.644525       0.9883029 -0.3788583     0.7471616 6.214441       4.648290  
1 1 1 28  11 0  o 30.92236 1.046176  9.598021       0.6468606 9.880202       0.9194480 9.321474       0.9102197 0.9022350      2.092353  
1 1 1 28  11 1  o 29.05272 1.073997  8.471069       0.6238343 8.301849       0.8683537 8.651559       0.8968039 -0.5979481     2.147993  
1 1 1 28  11 2  o 24.70706 1.154161  6.136046       0.5689178 6.156658       0.7785280 6.112425       0.8334160 0.9780884E-01  2.308322  
1 1 1 28  11 3  o 13.43809 1.777381  1.926017       0.4576495 2.520506       0.6359808 1.287590       0.6590646 4.755231       3.554761  
1 1 1 28  11 4  o 17.69733 1.426854  3.152521       0.4980519 2.492867       0.6839620 3.897149       0.7266808 -3.959339      2.853708  
1 1 1 28  11 5  o 39.76939 1.047913  15.75122       0.8294483 18.06612       1.233479  13.84043       1.120655  5.296608       2.095827  
1 1 1 28  11 6  f 35.03210 1.044111  12.29871       0.7299367 11.94872       0.9942607 12.70789       1.075037  -1.071758      2.088222  
1 1 1 28  11 7  o 21.79523 2.770291  4.824711       1.207583  4.824711       1.207583  ?              ?         ?              ?         
1 1 1 28  11 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  11 9  o 22.42657 1.771167  0.000000       0.000000  ?              ?         5.062545       0.7944239 ?              ?         
1 1 1 28  11 10 o 19.94820 1.329909  3.987878       0.5287547 3.751257       0.7124794 4.277973       0.7888892 -1.304405      2.659818  
1 1 1 28  11 11 o 18.30170 1.418365  3.311991       0.5125837 2.684837       0.6765409 4.157164       0.7853801 -3.996857      2.836730  
1 1 1 28  11 12 f 30.02930 1.102214  9.096513       0.6593960 9.409790       0.9034319 8.739357       0.9646266 1.128023       2.204428  
1 1 1 28  11 13 f 44.52831 1.060845  19.92205       0.9436114 19.61349       1.298687  20.26712       1.373379  -0.7199860     2.121691  
1 1 1 28  11 14 o 19.20214 1.421865  3.759475       0.5351003 4.683057       0.7648180 2.873878       0.7489247 4.706957       2.843730  
1 1 1 28  11 15 f 36.04369 1.059397  13.06391       0.7632036 12.99548       1.059299  13.13778       1.100548  -0.1894455     2.118795  
1 1 1 28  11 16 f 18.66687 1.420668  3.550732       0.5257836 3.825774       0.7174183 3.231579       0.7728081 1.606573       2.841336  
1 1 1 28  11 17 o 27.94497 1.150217  7.895634       0.6404999 8.417155       0.8901532 7.335752       0.9223099 1.942219       2.300434  
1 1 1 28  11 18 o 14.97100 1.801610  2.342108       0.5213692 2.615266       0.7197220 2.040488       0.7562914 2.168500       3.603220  
1 1 1 28  11 19 o 11.03418 2.169975  1.298583       0.4983820 1.432545       0.6775719 1.140675       0.7356409 1.112640       4.339949  
1 1 1 28  11 20 o 29.74697 1.137840  8.915975       0.6767791 9.123403       0.9701407 8.719328       0.9445909 0.6727810      2.275680  
1 1 1 28  11 21 o 22.22038 1.362198  5.036786       0.5982639 4.174527       0.8483209 5.889966       0.8438425 -3.861425      2.724395  
1 1 1 28  11 22 o 22.15293 1.334224  4.967546       0.5892208 5.504098       0.8436496 4.456575       0.8232913 2.357803       2.668447  
1 1 1 28  11 23 o 8.613458 2.249308  0.5990947      0.5200275 0.3689056      0.7337590 0.8313926      0.7371124 -1.466287      4.498615  
1 1 1 28  11 24 o 39.27589 1.101929  15.49091       0.8637822 16.68440       1.270730  14.46576       1.177712  2.799400       2.203857  
1 1 1 28  11 25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  12 0  o 38.12474 1.036983  14.57086       0.7897957 15.58249       1.139961  13.63702       1.095259  2.545296       2.073966  
1 1 1 28  12 1  o 54.29616 1.110268  29.61228       1.205451  30.40852       1.717991  28.84009       1.691841  1.440422       2.220536  
1 1 1 28  12 2  f 53.09223 1.107136  28.27386       1.174637  29.64607       1.701824  27.02532       1.623329  2.456318       2.214272  
1 1 1 28  12 3  o 38.07333 1.053542  14.54886       0.8002373 14.43109       1.091760  14.68560       1.176386  -0.3220367     2.107084  
1 1 1 28  12 4  o 60.40429 1.165383  36.64054       1.407055  38.27673       2.028050  35.12199       1.953781  2.599277       2.330766  
1 1 1 28  12 5  o 47.91937 1.076884  23.07611       1.031196  23.20242       1.431365  22.93980       1.486884  0.2826157      2.153769  
1 1 1 28  12 6  o 84.34904 1.428556  71.67019       2.408429  73.91400       3.482508  69.61319       3.334384  2.518509       2.857111  
1 1 1 28  12 7  o 29.26336 1.123016  8.601222       0.6539268 9.820625       0.9438025 7.475347       0.9068862 4.001127       2.246032  
1 1 1 28  12 8  o 31.09266 1.539878  9.716792       0.9575782 9.716792       0.9575782 ?              ?         ?              ?         
1 1 1 28  12 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  12 10 o 9.916377 3.964046  0.000000       0.000000  ?              ?         0.5560642      1.186765  ?              ?         
1 1 1 28  12 11 o 20.44215 1.383363  4.246551       0.5600986 4.906025       0.7905829 3.581992       0.7936240 3.239220       2.766725  
1 1 1 28  12 12 o 12.32364 1.946440  1.531620       0.4887864 0.8964149      0.6532537 2.339581       0.7367505 -5.722052      3.892880  
1 1 1 28  12 13 o 25.33792 1.197209  6.488033       0.6046040 6.869177       0.8386198 6.075507       0.8724625 1.573355       2.394417  
1 1 1 28  12 14 o 41.26722 1.079817  17.07239       0.8879841 16.46318       1.197364  17.81696       1.323720  -1.615128      2.159635  
1 1 1 28  12 15 o 40.84254 1.086662  16.66437       0.8842778 15.27181       1.190453  18.37857       1.320793  -3.775856      2.173324  
1 1 1 28  12 16 o 24.88268 1.247831  6.119271       0.6143672 5.133953       0.8084191 7.466294       0.9452262 -4.652691      2.495663  
1 1 1 28  12 17 f 31.34155 1.126082  9.886095       0.7043315 9.751912       0.9619806 10.04114       1.034072  -0.4445915     2.252164  
1 1 1 28  12 18 o 20.88379 1.372941  4.422906       0.5721148 4.689889       0.8009784 4.144824       0.8174585 1.310043       2.745883  
1 1 1 28  12 19 f 31.69041 1.139719  10.12435       0.7222973 10.14244       1.015161  10.10580       1.027924  0.6102371E-01  2.279439  
1 1 1 28  12 20 o 27.42772 1.219839  7.593006       0.6689570 7.667876       0.9594037 7.522164       0.9332351 0.2583637      2.439677  
1 1 1 28  12 21 o 25.84815 1.268389  6.752440       0.6554735 6.502770       0.9196243 7.010261       0.9345140 -0.9771481     2.536779  
1 1 1 28  12 22 o 31.98663 1.151194  10.33180       0.7361533 10.02375       1.043322  10.63721       1.038848  -0.9602299     2.302388  
1 1 1 28  12 23 o 21.78102 1.409012  4.810383       0.6136224 4.889671       0.8627021 4.729196       0.8729753 0.3719120      2.818024  
1 1 1 28  12 24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  13 0  o 55.84935 1.123401  31.34548       1.254668  31.48701       1.762828  31.20019       1.786138  0.2603569      2.246802  
1 1 1 28  13 1  o 66.09810 1.225832  43.92134       1.620043  45.23727       2.322055  42.67334       2.261326  1.929214       2.451664  
1 1 1 28  13 2  o 46.99242 1.086739  22.18342       1.021068  22.94520       1.453684  21.44160       1.434523  1.596882       2.173478  
1 1 1 28  13 3  o 49.65776 1.103796  24.77834       1.095457  24.69005       1.519496  24.87389       1.580738  -0.1753235     2.207592  
1 1 1 28  13 4  o 72.22414 1.298842  52.18274       1.867070  49.23364       2.496123  55.92831       2.813072  -4.574448      2.597685  
1 1 1 28  13 5  o 48.62448 1.093444  23.75776       1.062912  24.72023       1.513307  22.82061       1.493262  1.950146       2.186889  
1 1 1 28  13 6  o 52.43237 1.122395  27.61990       1.176378  28.90635       1.686723  26.40151       1.641499  2.380955       2.244790  
1 1 1 28  13 7  o 21.82034 1.338351  4.775537       0.5825715 4.387269       0.7930555 5.230642       0.8586041 -1.918562      2.676702  
1 1 1 28  13 8  o 44.36317 1.088328  19.79786       0.9652650 20.05719       1.352212  19.52841       1.378345  0.6007576      2.176655  
1 1 1 28  13 9  o 11.49895 2.214445  1.386545       0.5197342 1.290236       0.6908766 1.512109       0.7888616 -0.8848009     4.428891  
1 1 1 28  13 10 f 38.46875 2.438143  15.01769       1.875846  15.01769       1.875846  ?              ?         ?              ?         
1 1 1 28  13 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  13 12 o 41.37271 1.117177  17.12510       0.9216256 15.87193       1.246677  18.63534       1.368588  -3.315109      2.234354  
1 1 1 28  13 13 f 11.40521 2.159881  1.407798       0.5258828 1.875736       0.7058471 0.8239967      0.7884039 3.845078       4.319763  
1 1 1 28  13 14 o 30.35427 1.155623  9.243831       0.6996551 8.783463       0.9477535 9.795208       1.037210  -1.646189      2.311247  
1 1 1 28  13 15 o 38.42954 1.109924  14.86397       0.8521605 14.71944       1.175655  15.02396       1.236954  -0.3825874     2.219848  
1 1 1 28  13 16 o 43.63814 1.109855  19.15708       0.9669511 18.75502       1.323255  19.61776       1.416448  -0.9665337     2.219710  
1 1 1 28  13 17 o 10.95696 2.108685  1.161072       0.5117230 0.4927900      0.6794076 2.037220       0.7779274 -5.769258      4.217369  
1 1 1 28  13 18 o 26.71580 1.260217  7.208464       0.6733181 7.280438       0.9510628 7.136140       0.9533727 0.2707024      2.520435  
1 1 1 28  13 19 o 10.80727 2.288916  1.203490       0.5527657 0.7736751      0.7839094 1.628556       0.7795662 -3.046722      4.577833  
1 1 1 28  13 20 o 40.95820 1.112594  16.91880       0.9113334 16.71939       1.290376  17.11725       1.287269  -0.4865265     2.225189  
1 1 1 28  13 21 o 13.36252 2.145598  1.911531       0.5576602 1.899234       0.7429239 1.927402       0.8440139 -0.4182148E-01 4.291196  
1 1 1 28  13 22 f 52.65097 1.163382  27.95621       1.224530  28.87154       1.762960  27.10295       1.702134  1.662277       2.326763  
1 1 1 28  13 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  14 0  o 46.75071 1.088714  21.96072       1.017789  22.52572       1.445841  21.40572       1.432987  1.195831       2.177428  
1 1 1 28  14 1  o 32.41734 1.127809  10.57509       0.7300571 11.25408       1.032257  9.895570       1.032657  2.095409       2.255618  
1 1 1 28  14 2  o 31.43835 1.126942  9.940220       0.7081091 10.08059       0.9878195 9.791842       1.015593  0.4638157      2.253884  
1 1 1 28  14 3  f 21.41448 1.317099  4.610132       0.5621499 4.515389       0.7605749 4.724207       0.8345670 -0.4731064     2.634198  
1 1 1 28  14 4  o 42.63823 1.093223  18.28317       0.9316037 18.54612       1.299088  18.00478       1.336690  0.6411095      2.186446  
1 1 1 28  14 5  o 25.15958 1.229293  6.353042       0.6175700 5.971510       0.8457762 6.788782       0.9038666 -1.612680      2.458586  
1 1 1 28  14 6  o 30.40268 1.186683  9.325349       0.7191464 9.588950       0.9861819 9.025982       1.050959  0.9388180      2.373365  
1 1 1 28  14 7  o 8.520638 2.275981  0.5507134      0.5290842 0.5581700      0.7130468 0.5415787      0.7892133 -0.1955309     4.551962  
1 1 1 28  14 8  o 59.23346 1.186737  35.12823       1.400472  33.12381       1.882464  37.61272       2.095801  -3.744545      2.373474  
1 1 1 28  14 9  o 57.10954 1.168405  32.83342       1.334401  33.51233       1.897468  32.16911       1.876954  1.171776       2.336810  
1 1 1 28  14 10 o 21.71035 1.383055  4.759234       0.6004954 4.808231       0.8479564 4.709942       0.8505068 0.2269974      2.766110  
1 1 1 28  14 11 o 52.81381 1.606440  28.08117       1.696844  28.08117       1.696844  ?              ?         ?              ?         
1 1 1 28  14 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  14 13 o 33.44699 1.745427  0.000000       0.000000  ?              ?         11.28298       1.167586  ?              ?         
1 1 1 28  14 14 f 24.87692 1.314302  6.255476       0.6522962 6.331501       0.8948032 6.169256       0.9529082 0.3416214      2.628603  
1 1 1 28  14 15 f 26.07138 1.309693  6.909338       0.6738217 8.304540       0.9625544 5.568587       0.9435843 5.241646       2.619386  
1 1 1 28  14 16 o 35.97836 1.157815  13.06466       0.8317735 13.27834       1.149745  12.83003       1.204797  0.6371651      2.315630  
1 1 1 28  14 17 o 17.29967 1.699004  3.065238       0.5807421 3.634907       0.8264775 2.509641       0.8162054 3.248438       3.398008  
1 1 1 28  14 18 o 27.65015 1.274596  7.724134       0.7046313 7.628852       0.9819465 7.825282       1.011718  -0.3464069     2.549192  
1 1 1 28  14 19 o 7.810317 2.223341  0.1940969      0.5670567 0.6940271      0.7797857 -0.3669754     0.8260949 2.397500       4.446682  
1 1 1 28  14 20 o 24.63732 1.335016  6.172848       0.6534489 6.979102       0.9238169 5.365547       0.9244158 3.274815       2.670032  
1 1 1 28  14 21 o 70.84459 1.855139  50.78807       2.628532  50.78807       2.628532  ?              ?         ?              ?         
1 1 1 28  14 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  15 0  o 23.22046 1.359582  5.442550       0.6303585 5.667252       0.8795400 5.205237       0.9038815 0.9997616      2.719165  
1 1 1 28  15 1  o 63.46103 1.238246  40.45631       1.569310  39.06708       2.149828  42.04097       2.296061  -2.315380      2.476493  
1 1 1 28  15 2  o 18.56704 1.550389  3.461396       0.5738007 3.166985       0.7755707 3.817428       0.8528811 -1.732548      3.100778  
1 1 1 28  15 3  o 12.10186 2.140353  1.556496       0.5183904 1.726373       0.7275034 1.381274       0.7388581 1.328373       4.280707  
1 1 1 28  15 4  o 24.34830 1.320122  5.953370       0.6402271 5.716177       0.8606934 6.247180       0.9579274 -1.068346      2.640245  
1 1 1 28  15 5  o 45.84131 1.125558  21.11461       1.030321  22.84928       1.486079  19.50898       1.429742  3.632214       2.251117  
1 1 1 28  15 6  o 48.80307 1.137735  23.91911       1.108429  23.17069       1.513339  24.78529       1.628050  -1.631184      2.275470  
1 1 1 28  15 7  o 18.02389 1.674751  3.353138       0.5923289 3.892873       0.8133428 2.743598       0.8643403 3.203022       3.349502  
1 1 1 28  15 8  o 17.73753 1.592855  3.179657       0.5636432 3.094746       0.7662603 3.279768       0.8320174 -0.5028343     3.185710  
1 1 1 28  15 9  o 40.17327 1.140335  16.26163       0.9153768 16.94879       1.288899  15.56232       1.300252  1.727997       2.280670  
1 1 1 28  15 10 o 45.51774 1.138662  20.86403       1.036341  21.48014       1.471758  20.25810       1.459534  1.339703       2.277325  
1 1 1 28  15 11 o 41.62442 1.138731  17.45599       0.9471769 17.55219       1.314808  17.35222       1.365660  0.2516975      2.277463  
1 1 1 28  15 12 o 44.34444 1.168497  19.82299       1.032747  19.89161       1.404880  19.74232       1.523354  0.1961327      2.336993  
1 1 1 28  15 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  15 14 o 8.405661 3.438178  0.000000       0.000000  ?              ?         0.2995235      0.9192839 ?              ?         
1 1 1 28  15 15 o 36.28205 1.185420  13.28232       0.8598914 13.42134       1.204275  13.13772       1.228218  0.3971176      2.370840  
1 1 1 28  15 16 o 35.06884 1.190278  12.40059       0.8300806 14.25095       1.198510  10.69472       1.150768  5.057541       2.380556  
1 1 1 28  15 17 o 32.29169 1.223595  10.53950       0.7891461 10.69170       1.092478  10.37344       1.141155  0.5068665      2.447190  
1 1 1 28  15 18 o 33.53887 1.210108  11.36830       0.8108890 11.42894       1.123514  11.30238       1.171533  0.2032700      2.420217  
1 1 1 28  15 19 o 22.52039 1.523812  5.135273       0.6837894 4.549519       0.9395353 5.794971       0.9970763 -2.743614      3.047624  
1 1 1 28  15 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  16 0  o 13.78158 2.037520  2.003757       0.5403652 1.989594       0.7217221 2.021826       0.8151651 -0.4990196E-01 4.075041  
1 1 1 28  16 1  f 29.17785 1.213293  8.494702       0.7031962 7.232316       0.9491846 10.03045       1.046923  -4.774567      2.426585  
1 1 1 28  16 2  o 30.66213 1.210004  9.418415       0.7399888 8.719242       1.003534  10.25162       1.095508  -2.479298      2.420008  
1 1 1 28  16 3  o 38.82545 1.132518  15.18753       0.8780547 15.54093       1.217416  14.80439       1.267619  0.9585266      2.265037  
1 1 1 28  16 4  o 38.33223 1.157932  14.80195       0.8854926 16.15210       1.261568  13.49086       1.243185  3.467537       2.315863  
1 1 1 28  16 5  o 60.87413 1.233214  37.31962       1.500382  36.84015       2.078152  37.84167       2.168448  -0.8028793     2.466427  
1 1 1 28  16 6  o 40.35279 1.128631  16.35922       0.9095622 17.64365       1.314951  15.18088       1.259473  3.040268       2.257262  
1 1 1 28  16 7  o 32.79792 1.198757  10.74020       0.7827549 9.711572       1.049983  12.02704       1.174402  -3.502151      2.397513  
1 1 1 28  16 8  o 34.03372 1.206200  11.70071       0.8186090 12.68065       1.154660  10.71043       1.160739  2.895927       2.412400  
1 1 1 28  16 9  o 7.134687 2.167790  -0.1657690     0.5721455 -0.5669351     0.7701497 0.3283308      0.8547132 -2.238340      4.335579  
1 1 1 28  16 10 o 19.49430 1.637017  3.895459       0.6302134 4.539427       0.8841769 3.230447       0.8985088 3.361990       3.274033  
1 1 1 28  16 11 o 22.61517 1.508581  5.142532       0.6794717 4.717434       0.9119290 5.673060       1.018758  -2.078657      3.017161  
1 1 1 28  16 12 o 61.89635 1.253033  38.68087       1.550630  38.29434       2.160454  39.09155       2.226901  -0.6253777     2.506067  
1 1 1 28  16 13 o 9.837296 2.031289  0.4126841      0.5456125 -0.6884411     0.6956594 2.172678       0.8794960 -8.826876      4.062579  
1 1 1 28  16 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  16 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  16 16 o 47.05912 1.201578  22.36334       1.130718  22.15787       1.582150  22.57785       1.616560  -0.4360886     2.403156  
1 1 1 28  16 17 o 14.43228 2.233992  2.246925       0.6278822 2.484957       0.8710231 1.989434       0.9059239 1.717240       4.467983  
1 1 1 28  16 18 f 30.76268 1.322839  9.599550       0.8094121 10.84229       1.152472  8.389854       1.137048  3.981104       2.645679  
1 1 1 28  16 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  17 0  o 39.77381 1.156359  15.92948       0.9193029 16.06583       1.281298  15.78482       1.319735  0.3610916      2.312719  
1 1 1 28  17 1  o 22.06131 1.484246  4.921024       0.6534932 4.928056       0.8959131 4.913030       0.9553010 0.4960442E-01  2.968492  
1 1 1 28  17 2  o 25.42183 1.349447  6.566006       0.6810457 7.036959       0.9316382 6.025485       0.9980790 2.005203       2.698894  
1 1 1 28  17 3  o 12.41701 2.294332  1.615329       0.5792736 1.302417       0.7838101 1.991943       0.8598998 -2.510111      4.588664  
1 1 1 28  17 4  o 60.48309 1.231469  36.86308       1.489052  36.58817       2.073088  37.15606       2.140191  -0.4542122     2.462939  
1 1 1 28  17 5  o 29.19505 1.256746  8.604023       0.7315224 9.473536       1.042520  7.760667       1.026719  2.929720       2.513493  
1 1 1 28  17 6  o 49.81949 1.181877  24.97903       1.176158  24.37613       1.616378  25.65746       1.714645  -1.263130      2.363754  
1 1 1 28  17 7  o 39.93686 1.199536  16.03287       0.9553989 17.82879       1.388652  14.41871       1.316509  4.252117       2.399073  
1 1 1 28  17 8  f 26.21709 1.382277  6.914228       0.7210048 5.986095       0.9857885 7.981841       1.057270  -3.786261      2.764555  
1 1 1 28  17 9  o 51.89666 1.198696  27.11430       1.242710  26.09665       1.707634  28.26004       1.811913  -2.057495      2.397391  
1 1 1 28  17 10 o 24.10300 1.449999  5.880927       0.6986368 5.677964       0.9702969 6.099429       1.006755  -0.8624763     2.899998  
1 1 1 28  17 11 o 17.81835 1.788761  3.236057       0.6371878 3.161918       0.8855454 3.315650       0.9175455 -0.4187603     3.577522  
1 1 1 28  17 12 o 10.09245 2.404955  0.9935184      0.5737139 0.9319271      0.7768368 1.067418       0.8509231 -0.5919113     4.809910  
1 1 1 28  17 13 o 33.82857 1.250999  11.53778       0.8440561 11.26779       1.146238  11.85759       1.247536  -0.8424759     2.501997  
1 1 1 28  17 14 o 31.47842 1.271220  9.933133       0.7945691 9.351500       1.051037  10.70892       1.213846  -2.106033      2.542439  
1 1 1 28  17 15 o 30.32126 3.003547  9.490001       1.821426  9.490001       1.821426  ?              ?         ?              ?         
1 1 1 28  17 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  17 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  18 0  o 61.84960 1.261719  38.56540       1.560393  39.69008       2.218113  37.46351       2.195519  1.794777       2.523438  
1 1 1 28  18 1  o 36.73075 1.214113  13.60882       0.8910546 13.98553       1.245130  13.21338       1.275710  1.058033       2.428226  
1 1 1 28  18 2  o 36.93106 1.214309  13.71970       0.8944315 15.22019       1.294984  12.35089       1.236851  3.871117       2.428617  
1 1 1 28  18 3  o 48.27916 1.191090  23.49702       1.149598  23.63868       1.605165  23.34785       1.647206  0.3110657      2.382179  
1 1 1 28  18 4  o 15.80469 2.076492  2.655251       0.6315954 3.445114       0.8934520 1.866239       0.8929698 5.208460       4.152984  
1 1 1 28  18 5  o 31.91286 1.266129  10.27916       0.8078536 10.36645       1.131102  10.18826       1.154204  0.2850609      2.532258  
1 1 1 28  18 6  o 42.79101 1.191927  18.40154       1.017902  20.15135       1.485177  16.85146       1.397849  3.834053       2.383854  
1 1 1 28  18 7  o 34.40077 1.262489  11.93518       0.8675806 11.14804       1.204455  12.78398       1.250742  -2.364853      2.524977  
1 1 1 28  18 8  o 43.30880 1.202279  18.87830       1.039900  20.28184       1.512373  17.61966       1.432183  3.052006       2.404557  
1 1 1 28  18 9  f 35.00365 1.278107  12.25324       0.8902439 10.92239       1.193398  13.92304       1.336753  -4.245831      2.556213  
1 1 1 28  18 10 o 32.10870 1.286391  10.38794       0.8245439 9.943974       1.124852  10.90353       1.212203  -1.468967      2.572781  
1 1 1 28  18 11 o 11.20789 2.440405  1.308338       0.6084184 1.561106       0.8457216 1.037184       0.8759410 1.756823       4.880810  
1 1 1 28  18 12 o 15.34622 2.173982  2.521875       0.6427217 2.675000       0.8847167 2.350747       0.9352810 1.105904       4.347963  
1 1 1 28  18 13 o 7.920908 2.311974  0.2227568      0.5966720 0.3627001      0.8154272 0.6146953E-01  0.8754050 0.4896975      4.623948  
1 1 1 28  18 14 o 16.38736 2.101839  2.769750       0.6711900 2.470510       0.8880047 3.168520       1.025100  -2.308751      4.203678  
1 1 1 28  18 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  18 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  19 0  f 9.943449 2.440955  0.9100859      0.5949701 0.7221961      0.8059563 1.135108       0.8820069 -1.482751      4.881910  
1 1 1 28  19 1  o 49.81026 1.226668  24.99137       1.220734  24.39255       1.681043  25.65945       1.775594  -1.248516      2.453335  
1 1 1 28  19 2  o 15.98275 2.039600  2.659555       0.6343132 2.683870       0.8558199 2.629915       0.9448877 0.4760656      4.079200  
1 1 1 28  19 3  o 32.95631 1.289473  10.98945       0.8483493 11.50033       1.184411  10.45123       1.215694  1.600204       2.578946  
1 1 1 28  19 4  o 17.40000 1.927144  3.095974       0.6698952 2.898811       0.9350166 3.303918       0.9602364 -1.153326      3.854288  
1 1 1 28  19 5  o 21.23171 1.680060  4.687431       0.6899742 6.008431       0.9733368 3.353133       0.9782233 6.254913       3.360119  
1 1 1 28  19 6  o 21.92235 1.644606  4.936880       0.7119310 5.727897       0.9959331 4.110296       1.018077  3.697311       3.289212  
1 1 1 28  19 7  o 13.57705 2.430910  1.986100       0.6609089 2.032739       0.9110432 1.934290       0.9602280 0.3473282      4.861820  
1 1 1 28  19 8  f 42.12368 1.221885  17.91885       1.028816  18.02857       1.433481  17.80229       1.477445  0.2808685      2.443770  
1 1 1 28  19 9  o 18.10333 1.867896  3.351163       0.6741809 3.007003       0.9384406 3.718235       0.9691734 -1.950880      3.735792  
1 1 1 28  19 10 o 44.03008 1.225754  19.60654       1.078136  20.01794       1.499004  19.16566       1.551796  0.9837914      2.451509  
1 1 1 28  19 11 o 22.97417 1.647720  5.396066       0.7541400 5.899376       1.062081  4.884264       1.071005  2.212942       3.295440  
1 1 1 28  19 12 o 21.37650 1.680056  4.601362       0.7138190 4.066749       0.9510022 5.291229       1.080299  -2.810881      3.360112  
1 1 1 28  19 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  19 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  20 0  o 44.98092 1.241542  20.43790       1.116382  21.02263       1.572289  19.84337       1.585399  1.314453       2.483084  
1 1 1 28  20 1  o 9.858423 2.490924  0.8696557      0.6222449 0.7230731      0.8517731 1.037407       0.9112045 -1.091828      4.981848  
1 1 1 28  20 2  o 21.05667 1.650690  4.504473       0.6941615 4.421322       0.9528995 4.598492       1.013264  -0.3986492     3.301381  
1 1 1 28  20 3  o 21.32876 1.636311  4.660674       0.6916134 4.976832       0.9387905 4.285419       1.022776  1.650967       3.272623  
1 1 1 28  20 4  o 19.66952 1.827904  3.991913       0.7086257 4.713334       0.9960521 3.252558       1.008357  3.718258       3.655808  
1 1 1 28  20 5  o 53.66308 1.261369  29.00691       1.350673  27.88152       1.836557  30.33266       1.993341  -2.238541      2.522739  
1 1 1 28  20 6  o 36.35450 1.310442  13.18890       0.9449080 12.04247       1.242365  14.76216       1.455375  -3.674885      2.620884  
1 1 1 28  20 7  o 13.06261 2.523573  1.841116       0.6789853 1.718134       0.9662714 1.961070       0.9543011 -0.8167553     5.047146  
1 1 1 28  20 8  f 51.92788 1.263346  27.17340       1.308561  25.99406       1.773875  28.58135       1.938193  -2.438862      2.526691  
1 1 1 28  20 9  o 24.91184 1.562097  6.343500       0.7740130 6.957405       1.080942  5.697509       1.108830  2.539478       3.124193  
1 1 1 28  20 10 f 17.31050 2.727346  4.156643       0.9185980 5.193999       1.049848  0.7685553      1.897318  10.54056       5.454693  
1 1 1 28  20 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  21 0  o 32.59731 1.665563  11.08909       1.035574  9.801866       1.686784  11.86775       1.311920  -3.305960      3.331125  
1 1 1 28  21 1  o 27.18754 1.460476  7.500492       0.7933834 7.767114       1.112935  7.224988       1.131317  1.003153       2.920952  
1 1 1 28  21 2  o 14.85308 2.320539  2.360543       0.6710438 2.172534       0.9235054 2.570845       0.9767279 -1.276607      4.641079  
1 1 1 28  21 3  o 10.64812 2.540559  1.056355       0.6739765 1.618700       0.9492466 0.4846732      0.9570951 3.352416       5.081118  
1 1 1 28  21 4  o 23.46470 1.652214  5.589051       0.7736204 5.285203       1.051706  5.947306       1.141991  -1.373863      3.304428  
1 1 1 28  21 5  o 13.12007 2.634521  1.820209       0.7078766 1.687274       0.8987147 2.037472       1.148932  -1.192488      5.269043  
1 1 1 28  21 6  o 24.47843 2.008976  6.161627       0.9764698 7.153970       1.407274  5.240243       1.356025  3.883638       4.017951  
1 1 1 28  21 7  f 22.41758 3.128110  6.079524       1.233485  6.977140       1.476060  4.001664       2.245777  7.277252       6.256220  
1 1 1 28  21 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  21 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  22 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  22 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  22 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  22 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  22 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  22 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  23 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 28  23 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  0  0  o 51.77847 0.9567307 26.88741       0.9888620 26.44004       1.375061  27.36659       1.423100  -0.000000      0.000000  
1 1 1 29  0  1  o 52.63461 0.9671673 27.79268       1.016359  27.53011       1.419170  28.06916       1.456245  -0.000000      0.000000  
1 1 1 29  0  2  o 44.50015 0.8884152 19.85111       0.7886819 19.32347       1.089401  20.43223       1.143278  -0.000000      0.000000  
1 1 1 29  0  3  o 5.947715 1.828117  0.4801657      0.2605670 0.7817612      0.3710393 0.1866955      0.3660071 -0.000000      0.000000  
1 1 1 29  0  4  f 57.18785 1.013007  32.79317       1.156279  32.08292       1.600894  33.56780       1.671865  -0.000000      0.000000  
1 1 1 29  0  5  o 7.587181 1.956626  0.7640194      0.2756181 0.6384149      0.3749960 0.9115927      0.4064694 -0.000000      0.000000  
1 1 1 29  0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  0  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  0  8  o 69.43893 1.160644  48.41648       1.609761  48.77650       2.293274  48.06677       2.260177  -0.000000      0.000000  
1 1 1 29  0  9  f 13.31240 1.176781  1.858993       0.3052371 1.821767       0.4328087 1.895831       0.4305412 -0.000000      0.000000  
1 1 1 29  0  10 o 18.55693 0.9552858 3.498911       0.3487395 4.007078       0.5050747 3.035903       0.4821106 -0.000000      0.000000  
1 1 1 29  0  11 o 34.12718 0.8333037 11.67896       0.5666434 11.03751       0.7811496 12.39135       0.8232136 -0.000000      0.000000  
1 1 1 29  0  12 o 43.02883 0.8842670 18.58992       0.7595285 18.39736       1.068381  18.78669       1.079984  -0.000000      0.000000  
1 1 1 29  0  13 o 75.82689 1.243900  57.77522       1.884109  58.09647       2.677140  57.45996       2.652102  -0.000000      0.000000  
1 1 1 29  0  14 o 26.30345 0.8594414 6.969972       0.4497137 7.353407       0.6442505 6.605587       0.6280417 -0.000000      0.000000  
1 1 1 29  0  15 o 36.20958 0.8502755 13.16700       0.6140221 13.59531       0.8832894 12.76647       0.8541600 -0.000000      0.000000  
1 1 1 29  0  16 o 45.69855 0.8984693 20.97145       0.8194220 21.05335       1.177164  20.89445       1.141341  -0.000000      0.000000  
1 1 1 29  0  17 o 59.94645 1.049555  36.10198       1.256556  35.95156       1.784485  36.24990       1.769685  -0.000000      0.000000  
1 1 1 29  0  18 o 39.97422 0.8625369 16.06226       0.6878305 15.63798       0.9785416 16.47663       0.9670389 -0.000000      0.000000  
1 1 1 29  0  19 o 8.161098 1.866351  0.8060738      0.2839478 1.275335       0.4554174 0.5076417      0.3631826 -0.000000      0.000000  
1 1 1 29  0  20 o 22.57594 0.8865172 5.166885       0.3942104 5.059734       0.5943204 5.251063       0.5267678 -0.000000      0.000000  
1 1 1 29  0  21 o 10.05870 1.760576  1.368298       0.3082304 0.6710811      0.4754658 1.873708       0.4048152 -0.000000      0.000000  
1 1 1 29  0  22 o 14.13304 1.730317  2.119909       0.4116324 2.025327       0.4923713 2.339478       0.7501978 -0.000000      0.000000  
1 1 1 29  0  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  0  24 o 20.46395 1.005663  4.379202       0.3927489 3.186114       0.5642025 5.500874       0.5470560 -0.000000      0.000000  
1 1 1 29  0  25 o 69.10611 1.173773  48.05180       1.619329  48.68387       2.335110  47.46625       2.247553  -0.000000      0.000000  
1 1 1 29  0  26 o 38.46349 0.8825722 14.87313       0.6763769 15.01620       0.9855458 14.74574       0.9299558 -0.000000      0.000000  
1 1 1 29  0  27 o 34.04810 2.052447  11.80591       1.387107  11.80591       1.387107  11.80591       1.387107  -0.000000      0.000000  
1 1 1 29  1  0  o 46.32222 0.6383690 21.48309       0.5914075 21.57504       0.8386538 21.39213       0.8341178 0.1971283      1.276738  
1 1 1 29  1  1  o 36.14694 0.5858605 13.05968       0.4232148 12.45518       0.5859107 13.71916       0.6119719 -1.746758      1.171721  
1 1 1 29  1  2  o 23.39924 0.5878062 5.480721       0.2750463 5.608960       0.3906949 5.354715       0.3872761 0.5430546      1.175612  
1 1 1 29  1  3  o 37.51601 0.5940695 14.09074       0.4457204 13.92097       0.6300387 14.26084       0.6306494 -0.4529228     1.188139  
1 1 1 29  1  4  o 43.57911 0.8879563 19.04172       0.7738385 19.10317       1.087180  18.97863       1.101711  0.1443939      1.775913  
1 1 1 29  1  5  o 27.28043 0.8308693 7.403800       0.4516200 6.754959       0.6084974 8.199536       0.6738675 -2.641087      1.661739  
1 1 1 29  1  6  o 34.51329 0.5783437 11.92468       0.3991882 11.82650       0.5608866 12.02547       0.5682603 -0.2877083     1.156687  
1 1 1 29  1  7  f 40.03010 0.6016273 16.04547       0.4816578 16.14832       0.6814858 15.94282       0.6808486 0.2566338      1.203255  
1 1 1 29  1  8  o 35.70750 0.8072414 12.77510       0.5763301 12.49635       0.8035750 13.07036       0.8270390 -0.8012276     1.614483  
1 1 1 29  1  9  f 35.68259 0.8145244 12.75786       0.5810786 13.24050       0.8319152 12.29807       0.8119857 1.318378       1.629049  
1 1 1 29  1  10 f 47.67114 0.6491309 22.64641       0.6170520 21.29297       0.8341762 24.28186       0.9169753 -3.127472      1.298262  
1 1 1 29  1  11 o 67.83608 0.8063354 46.12679       1.093787  46.79597       1.564576  45.48710       1.529710  0.9606781      1.612671  
1 1 1 29  1  12 o 57.51567 0.7205091 33.04556       0.8271191 31.56253       1.126571  34.77977       1.218247  -2.787170      1.441018  
1 1 1 29  1  13 o 29.65845 0.5881906 8.809131       0.3488959 8.796702       0.4928617 8.821617       0.4939668 -0.4190445E-01 1.176381  
1 1 1 29  1  14 o 67.40314 0.8026704 45.37354       1.078835  43.21467       1.458942  47.97837       1.602557  -3.515152      1.605341  
1 1 1 29  1  15 o 25.77685 0.5959651 6.654346       0.3065908 7.253498       0.4390401 6.084073       0.4283281 2.267265       1.191930  
1 1 1 29  1  16 o 21.48738 0.6319532 4.641902       0.2704524 5.090443       0.3805541 4.184178       0.3844301 2.109259       1.263906  
1 1 1 29  1  17 o 43.72779 0.6797384 19.24856       0.5900685 19.94288       0.7963380 18.40320       0.8786927 1.770397       1.359477  
1 1 1 29  1  18 o 31.83819 0.5794975 10.15187       0.3689520 10.30216       0.5271652 10.00756       0.5165505 0.4615250      1.158995  
1 1 1 29  1  19 o 19.41276 0.6669745 3.740268       0.2552198 2.930335       0.3439700 4.732345       0.3806872 -4.636595      1.333949  
1 1 1 29  1  20 o 13.17788 0.8299279 1.741698       0.2185739 1.650952       0.3044643 1.838202       0.3139755 -0.7088947     1.659856  
1 1 1 29  1  21 o 15.43661 1.069226  2.557210       0.2884054 2.063419       0.5352209 2.759255       0.3423617 -2.295340      2.138452  
1 1 1 29  1  22 o 19.34457 0.8182657 3.748834       0.3008165 3.728952       0.3710549 3.786957       0.5138180 -0.1242523     1.636531  
1 1 1 29  1  23 o 48.60329 0.6714188 23.63014       0.6517591 24.86079       0.9527720 22.54777       0.8935305 2.370602       1.342838  
1 1 1 29  1  24 f 43.25779 0.8909343 18.82102       0.7702339 19.11469       1.074180  18.51024       1.105025  0.7051277      1.781869  
1 1 1 29  1  25 f 15.36482 0.7866820 2.364931       0.2412194 2.156341       0.3326582 2.596227       0.3502963 -1.427977      1.573364  
1 1 1 29  1  26 o 15.78162 0.7721245 2.500543       0.2436931 2.468988       0.3425103 2.532893       0.3467979 -0.2016573     1.544249  
1 1 1 29  1  27 o 10.81133 3.394917  0.000000       0.000000  ?              ?         1.215136       0.8164550 ?              ?         
1 1 1 29  2  0  o 35.79070 0.5824878 12.76163       0.4159539 11.85814       0.5657034 13.82501       0.6137217 -2.744793      1.164976  
1 1 1 29  2  1  o 34.77623 0.7283888 12.29174       0.4735646 11.60233       0.8213473 12.63506       0.5796048 -1.503315      1.456778  
1 1 1 29  2  2  o 68.38968 1.160870  46.85011       1.584931  45.11676       2.163546  48.85765       2.328381  -2.713837      2.321740  
1 1 1 29  2  3  f 44.68859 0.8253334 20.06147       0.7187867 20.22641       0.9205487 19.80382       1.150517  0.4943085      1.650667  
1 1 1 29  2  4  o 43.81725 0.6197909 19.15035       0.5419852 18.11030       0.7375718 20.37113       0.7990837 -2.575344      1.239582  
1 1 1 29  2  5  o 37.54572 0.5882252 14.10062       0.4415018 14.63934       0.6353249 13.59749       0.6139778 1.385910       1.176450  
1 1 1 29  2  6  o 33.60694 0.5771142 11.17079       0.3855448 9.925740       0.5134917 12.77970       0.5837202 -4.240969      1.154228  
1 1 1 29  2  7  f 99.20856 1.095538  98.83394       2.173295  100.1413       3.111672  97.58880       3.036706  1.275681       2.191076  
1 1 1 29  2  8  o 24.71432 0.5870884 6.112845       0.2900476 6.021519       0.4027945 6.211200       0.4180070 -0.3825455     1.174177  
1 1 1 29  2  9  o 42.08716 0.7354404 18.04757       0.5954109 18.93419       0.7564433 16.60370       0.9653207 2.789227       1.470881  
1 1 1 29  2  10 f 17.19509 0.8896537 2.977670       0.3047349 3.186849       0.4234146 2.752886       0.4389242 1.263800       1.779307  
1 1 1 29  2  11 f 15.25356 0.8548496 2.371291       0.2531645 2.163453       0.3999875 2.510198       0.3269980 -1.145514      1.709699  
1 1 1 29  2  12 o 68.40215 0.8101042 46.91397       1.108235  47.20603       1.573386  46.62641       1.561246  0.4222412      1.620208  
1 1 1 29  2  13 o 49.20234 0.6582150 24.05489       0.6444494 22.35487       0.8601815 26.23003       0.9729859 -3.926723      1.316430  
1 1 1 29  2  14 o 12.83142 0.8349621 1.624027       0.2101987 1.228458       0.2796980 2.137357       0.3186229 -3.536457      1.669924  
1 1 1 29  2  15 o 41.66615 0.6155213 17.33093       0.5117970 16.49338       0.6960784 18.31653       0.7550992 -2.181499      1.231043  
1 1 1 29  2  16 o 29.59892 0.5884258 8.755785       0.3472987 9.755707       0.5034900 7.848188       0.4796833 3.219814       1.176852  
1 1 1 29  2  17 o 38.03636 0.6004463 14.48360       0.4565144 14.20911       0.6328670 14.78137       0.6591524 -0.7494583     1.200893  
1 1 1 29  2  18 o 43.88198 0.6314054 19.21058       0.5529044 20.73707       0.8147496 17.90749       0.7527727 3.216858       1.262811  
1 1 1 29  2  19 o 13.04961 0.8234535 1.717764       0.2132178 1.968861       0.3019322 1.467984       0.3011404 1.918999       1.646907  
1 1 1 29  2  20 o 36.34097 0.8801842 13.27335       0.6388788 12.44631       0.9012442 14.10876       0.9057951 -2.286495      1.760368  
1 1 1 29  2  21 o 31.31079 0.6337609 9.843671       0.3936920 9.957630       0.5262527 9.698834       0.5932841 0.4224644      1.267522  
1 1 1 29  2  22 o 31.36742 0.5929840 9.833896       0.3714877 10.52051       0.5412808 9.222506       0.5107715 2.065018       1.185968  
1 1 1 29  2  23 o 45.49829 0.6481811 20.74157       0.5895950 20.22243       0.8200546 21.29706       0.8482886 -1.176838      1.296362  
1 1 1 29  2  24 o 25.70652 0.6158956 6.611450       0.3159918 7.242415       0.4573591 6.035172       0.4370894 2.345169       1.231791  
1 1 1 29  2  25 f 24.22335 0.8417528 5.880529       0.4042297 5.773810       0.5351034 6.022376       0.6169215 -0.4957008     1.683506  
1 1 1 29  2  26 o 12.50369 0.9008721 1.571181       0.2248923 1.447136       0.3136863 1.702369       0.3225923 -1.018677      1.801744  
1 1 1 29  2  27 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  3  0  o 67.95401 1.162063  46.27855       1.577183  44.79612       2.163046  47.96140       2.304627  -2.311478      2.324126  
1 1 1 29  3  1  o 78.47278 1.123414  60.58662       1.611313  58.86264       1.909338  64.85257       3.003481  -3.684669      2.246828  
1 1 1 29  3  2  f 90.36838 1.010347  81.90154       1.825549  80.83327       2.545646  83.03258       2.619366  -1.208496      2.020693  
1 1 1 29  3  3  o 55.40590 0.6981010 30.73866       0.7734075 30.36609       1.080182  31.13058       1.107871  -0.6876678     1.396202  
1 1 1 29  3  4  o 65.27953 0.7802665 42.70042       1.018689  42.92844       1.446111  42.47581       1.435239  0.3456650      1.560533  
1 1 1 29  3  5  o 17.99871 0.6212541 3.245611       0.2235079 3.312434       0.3130063 3.176091       0.3192623 0.3792381      1.242508  
1 1 1 29  3  6  o 52.94291 0.6802500 28.06057       0.7200651 28.73122       1.034127  27.42940       1.003227  1.226753       1.360500  
1 1 1 29  3  7  o 19.98453 0.6034306 4.002480       0.2398513 4.567178       0.3441223 3.468968       0.3344849 2.746881       1.206861  
1 1 1 29  3  8  f 50.29424 0.6630887 25.31499       0.6666800 26.12314       0.9606675 24.56421       0.9259465 1.546696       1.326177  
1 1 1 29  3  9  o 59.22712 0.7302032 35.14344       0.8648041 34.77625       1.209470  35.52756       1.237031  -0.6315079     1.460406  
1 1 1 29  3  10 o 13.53622 0.7384297 1.883760       0.1947450 2.163655       0.2615589 1.535577       0.2917261 2.323067       1.476859  
1 1 1 29  3  11 o 32.37805 0.6694872 10.49372       0.4142025 10.47222       0.5144762 10.53335       0.6983159 -0.7665634E-01 1.338974  
1 1 1 29  3  12 o 7.637091 1.256031  0.6508516      0.1984717 0.8784757      0.2551717 0.3022588      0.3157785 3.435057       2.512062  
1 1 1 29  3  13 o 6.436698 1.298435  0.4226003      0.1727859 0.4016350      0.2232261 0.4539353      0.2729044 -0.4217663     2.596870  
1 1 1 29  3  14 o 44.31195 0.6269477 19.60387       0.5546544 20.95234       0.8133729 18.43177       0.7583175 2.838371       1.253895  
1 1 1 29  3  15 o 15.01100 0.7107869 2.240321       0.2125102 2.023249       0.2860715 2.507606       0.3174397 -1.609436      1.421574  
1 1 1 29  3  16 o 21.44407 0.6032310 4.607972       0.2581675 4.624742       0.3541290 4.588948       0.3771670 0.8590508E-01  1.206462  
1 1 1 29  3  17 o 34.06244 0.5868639 11.62375       0.3997604 11.78243       0.5643873 11.46399       0.5663108 0.4676247      1.173728  
1 1 1 29  3  18 o 23.87198 0.8262533 5.791904       0.3527033 5.555898       0.6637602 5.884759       0.4163465 -0.7258186     1.652507  
1 1 1 29  3  19 o 19.72581 0.9045068 3.860335       0.3298105 3.784063       0.3950059 4.035905       0.5993016 -0.6023769     1.809014  
1 1 1 29  3  20 o 14.28970 0.7470017 2.055818       0.2126282 2.157815       0.2927366 1.941912       0.3093543 0.7579479      1.494003  
1 1 1 29  3  21 o 51.83282 0.6839933 26.94401       0.7090514 26.71943       0.9994205 27.17161       1.006113  -0.4351768     1.367987  
1 1 1 29  3  22 o 29.35985 0.5927184 8.636786       0.3479119 8.973878       0.4959879 8.310266       0.4881492 1.129110       1.185437  
1 1 1 29  3  23 o 14.16933 0.7826645 2.029773       0.2201113 2.175373       0.3007548 1.861834       0.3230035 1.110332       1.565329  
1 1 1 29  3  24 o 20.52031 0.6518198 4.212655       0.2671802 3.994761       0.3672571 4.457635       0.3894157 -1.124361      1.303640  
1 1 1 29  3  25 o 4.977119 1.400664  0.7663032E-01  0.2198787 -0.1069041     0.3021081 0.2833575      0.3206287 -1.704381      2.801328  
1 1 1 29  3  26 o 13.68132 1.087498  1.864082       0.2930016 1.763236       0.3782259 2.015427       0.4633452 -0.8989372     2.174995  
1 1 1 29  4  0  o 70.43952 0.8278868 49.47913       1.162313  46.95951       1.566811  52.56262       1.733287  -3.962311      1.655774  
1 1 1 29  4  1  o 61.20075 0.7446422 37.50049       0.9110872 36.84351       1.266906  38.20419       1.311177  -1.107983      1.489284  
1 1 1 29  4  2  o 15.25410 0.6605314 2.320058       0.2001120 1.960645       0.2739054 2.731519       0.2930678 -2.525332      1.321063  
1 1 1 29  4  3  o 66.18672 0.7869604 43.89742       1.041719  43.88391       1.470321  43.91103       1.476122  -0.1994324E-01 1.573921  
1 1 1 29  4  4  o 69.48672 0.8166092 48.15595       1.131052  51.23911       1.685910  45.63248       1.525231  4.018311       1.633218  
1 1 1 29  4  5  o 56.51777 0.7060339 31.99446       0.7979438 31.73637       1.116874  32.26355       1.140420  -0.4642868     1.412068  
1 1 1 29  4  6  o 49.39569 0.6536787 24.35117       0.6445469 25.89818       0.9477475 23.01995       0.8791653 2.907585       1.307357  
1 1 1 29  4  7  o 48.82953 0.6510434 23.87436       0.6357063 24.35639       0.9082885 23.41150       0.8900382 0.9659462      1.302087  
1 1 1 29  4  8  o 42.67776 0.6061797 18.22889       0.5172225 18.91174       0.7408862 17.57972       0.7223907 1.559032       1.212359  
1 1 1 29  4  9  f 44.65967 0.6198330 19.92392       0.5529244 21.16164       0.8057421 18.82230       0.7601543 2.615173       1.239666  
1 1 1 29  4  10 o 29.56882 0.5516568 8.729301       0.3256097 8.376193       0.4440219 9.140094       0.4789189 -1.288967      1.103314  
1 1 1 29  4  11 o 21.65995 0.5712968 4.711023       0.2467814 5.018863       0.3447320 4.387446       0.3534338 1.458292       1.142594  
1 1 1 29  4  12 o 46.92917 0.6414383 22.06304       0.6020040 22.30948       0.8502430 21.81530       0.8524858 0.5267334      1.282877  
1 1 1 29  4  13 o 51.20283 0.9040183 26.31478       0.9257294 26.50168       1.306751  26.12649       1.311621  0.3670731      1.808037  
1 1 1 29  4  14 f 55.32827 0.8482794 30.09128       0.8836906 32.56281       1.562956  28.92996       1.071375  3.212326       1.696559  
1 1 1 29  4  15 o 79.40796 0.9113791 63.28899       1.446906  62.32064       2.014341  64.32118       2.079693  -1.249184      1.822758  
1 1 1 29  4  16 o 52.39492 0.6848205 27.49364       0.7172236 26.85830       0.9942849 28.18285       1.035590  -1.259007      1.369641  
1 1 1 29  4  17 o 31.50549 0.9340667 9.953415       0.5880220 10.54130       0.8504758 9.414997       0.8139065 1.781305       1.868133  
1 1 1 29  4  18 o 29.13335 0.6384914 8.525391       0.3640991 8.601326       0.4701222 8.411574       0.5755584 0.3384323      1.276983  
1 1 1 29  4  19 o 25.33434 0.5902188 6.442412       0.2984683 6.838225       0.4193305 6.035974       0.4249209 1.583986       1.180438  
1 1 1 29  4  20 o 36.17538 0.6003972 13.11471       0.4342667 13.13849       0.6071972 13.08981       0.6213387 0.6904221E-01  1.200794  
1 1 1 29  4  21 f 19.09360 0.6671187 3.675714       0.2529578 3.860632       0.3435330 3.456703       0.3738607 1.062263       1.334237  
1 1 1 29  4  22 o 44.27217 0.6366894 19.63534       0.5634517 19.22839       0.7814989 20.07591       0.8131238 -0.9527245     1.273379  
1 1 1 29  4  23 o 12.90087 0.8178253 1.683160       0.2093444 1.793641       0.2850203 1.553740       0.3084854 0.9341860      1.635651  
1 1 1 29  4  24 o 13.83175 0.7831613 1.913299       0.2160203 1.722893       0.2958946 2.130602       0.3161033 -1.469920      1.566323  
1 1 1 29  4  25 o 39.64337 0.6210909 15.71103       0.4916912 16.70689       0.7193444 14.83776       0.6736184 2.350391       1.242182  
1 1 1 29  4  26 f 36.85181 0.6734958 13.62542       0.4899091 13.63298       0.6431433 13.61496       0.7561715 0.4334641E-01  1.346992  
1 1 1 29  5  0  o 56.63260 0.7073917 32.12271       0.8012113 32.06720       1.128965  32.17904       1.137249  -0.9808731E-01 1.414783  
1 1 1 29  5  1  o 37.85619 0.5794339 14.34582       0.4386476 14.30484       0.6150628 14.38823       0.6257583 -0.1094208     1.158868  
1 1 1 29  5  2  o 38.61759 0.5814368 14.92905       0.4490245 14.87082       0.6298362 14.98923       0.6403269 -0.1525879     1.162874  
1 1 1 29  5  3  o 35.30167 0.5694016 12.39332       0.4006445 13.80437       0.5938714 11.21467       0.5427652 3.664425       1.138803  
1 1 1 29  5  4  o 18.02297 0.5804911 3.231717       0.2085841 2.954690       0.2824767 3.563879       0.3093114 -1.688086      1.160982  
1 1 1 29  5  5  o 57.03718 0.7090051 32.50539       0.8075080 34.12572       1.183534  31.09417       1.104533  2.650272       1.418010  
1 1 1 29  5  6  o 24.72208 0.5337566 6.102436       0.2631971 5.915358       0.3571317 6.324838       0.3893907 -0.8258705     1.067513  
1 1 1 29  5  7  o 6.743912 1.060963  0.4724714      0.1375487 0.4635840      0.1783044 0.4855333      0.2161629 -0.1422477     2.121927  
1 1 1 29  5  8  f 23.61871 0.5416380 5.573423       0.2553985 5.406649       0.3489628 5.765802       0.3747952 -0.7583981     1.083276  
1 1 1 29  5  9  o 28.76602 0.5420786 8.287331       0.3116043 8.715502       0.4420773 7.864548       0.4392859 1.478880       1.084157  
1 1 1 29  5  10 o 57.87628 0.7185059 33.56659       0.8316690 33.88535       1.180071  33.25203       1.172283  0.5463219      1.437012  
1 1 1 29  5  11 o 41.23450 0.9415403 17.04864       0.7757642 16.69550       1.070206  17.43964       1.126122  -0.8945885     1.883081  
1 1 1 29  5  12 o 29.56537 0.6218276 8.731703       0.3561709 8.659763       0.4499454 8.852430       0.5828769 -0.3132076     1.243655  
1 1 1 29  5  13 o 20.83052 0.5698568 4.345435       0.2366860 4.342341       0.3223478 4.349055       0.3486461 -0.1364136E-01 1.139714  
1 1 1 29  5  14 o 42.06748 0.7142503 17.77138       0.5783510 17.85312       0.7262692 17.62970       0.9561723 0.2939034      1.428501  
1 1 1 29  5  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  5  16 o 56.71279 0.9092085 32.19252       0.9514897 32.02699       1.141930  32.56840       1.720822  -0.3855782     1.818417  
1 1 1 29  5  17 o 15.07852 0.7001305 2.325464       0.2068875 2.687293       0.2821845 1.904910       0.3042232 2.597157       1.400261  
1 1 1 29  5  18 f 20.30487 0.6122272 4.149403       0.2475290 4.427814       0.3425700 3.845243       0.3580613 1.436407       1.224454  
1 1 1 29  5  19 o 12.04459 0.8870468 1.582722       0.1952385 2.102491       0.2615668 0.9288226      0.2933816 4.877368       1.774094  
1 1 1 29  5  20 o 22.49735 0.7298345 5.074665       0.3265880 5.048735       0.4389523 5.106817       0.4887867 -0.1212635     1.459669  
1 1 1 29  5  21 o 28.78522 0.5908188 8.289146       0.3393492 8.097538       0.4622006 8.513222       0.4998296 -0.7171059     1.181638  
1 1 1 29  5  22 o 14.89466 0.7311698 2.195494       0.2161050 1.988421       0.2846929 2.477035       0.3319604 -1.632501      1.462340  
1 1 1 29  5  23 o 28.24944 0.5832754 7.994389       0.3294459 7.735179       0.4605913 8.265921       0.4714109 -0.9379025     1.166551  
1 1 1 29  5  24 o 15.14808 0.7315675 2.336530       0.2183349 2.688591       0.3013822 1.947690       0.3167337 2.448317       1.463135  
1 1 1 29  5  25 o 25.83608 0.6019276 6.676174       0.3106662 6.312732       0.4277805 7.081771       0.4519085 -1.484760      1.203855  
1 1 1 29  5  26 o 29.15171 1.125220  0.000000       0.000000  ?              ?         8.537061       0.6560416 ?              ?         
1 1 1 29  6  0  o 44.79296 0.6167486 20.04882       0.5519320 20.99645       0.8033344 19.20157       0.7596001 2.000420       1.233497  
1 1 1 29  6  1  o 17.76886 0.5709338 3.173165       0.2006378 3.782627       0.2875096 2.594613       0.2801239 3.342474       1.141868  
1 1 1 29  6  2  o 21.22938 0.5398265 4.509095       0.2290494 4.452548       0.3173261 4.570603       0.3309530 -0.2771530     1.079653  
1 1 1 29  6  3  f 10.72437 0.6633674 1.165037       0.1392511 1.223362       0.1819590 1.082593       0.2163332 0.6591311      1.326735  
1 1 1 29  6  4  o 35.71531 0.5580648 12.73683       0.3980276 13.73015       0.5787434 11.84532       0.5482830 2.636490       1.116130  
1 1 1 29  6  5  o 27.48821 0.5269452 7.562283       0.2894036 7.528515       0.3999705 7.599386       0.4192680 -0.1275597     1.053890  
1 1 1 29  6  6  o 47.32035 0.6335598 22.42338       0.5995299 22.93253       0.8529761 21.92625       0.8428411 1.062386       1.267120  
1 1 1 29  6  7  o 61.65269 0.7462456 37.99723       0.9184723 36.61010       1.253722  39.60411       1.349379  -2.418369      1.492491  
1 1 1 29  6  8  o 42.32673 0.5991815 17.94196       0.5071932 18.17404       0.7170110 17.70953       0.7175484 0.5487595      1.198363  
1 1 1 29  6  9  f 47.47322 0.6348960 22.53875       0.6020595 21.90292       0.8269326 23.25596       0.8782655 -1.420326      1.269792  
1 1 1 29  6  10 o 14.30716 0.5794275 2.030772       0.1644443 1.910965       0.2166802 2.193510       0.2525343 -0.9843779     1.158855  
1 1 1 29  6  11 o 46.47504 0.6299294 21.61249       0.5852038 22.47036       0.8437068 20.81712       0.8123877 1.775646       1.259859  
1 1 1 29  6  12 o 11.29662 0.6712896 1.248060       0.1498214 1.069013       0.1948081 1.507285       0.2344028 -1.935550      1.342579  
1 1 1 29  6  13 o 39.44928 0.7835613 15.13438       0.5490632 16.64453       1.079824  14.60779       0.6376472 2.522980       1.567123  
1 1 1 29  6  14 f 20.32829 0.9374660 3.962580       0.3319150 3.782317       0.3804876 4.536491       0.6789049 -1.806581      1.874932  
1 1 1 29  6  15 o 16.97624 0.6070790 2.839037       0.2025759 2.644764       0.2597916 3.140399       0.3235652 -1.452948      1.214158  
1 1 1 29  6  16 o 66.46430 1.084601  44.36777       1.439813  43.11451       1.975742  45.78710       2.102579  -1.985687      2.169201  
1 1 1 29  6  17 o 21.04339 0.6684398 4.449966       0.2800900 4.572183       0.3818178 4.307574       0.4121311 0.6325760      1.336880  
1 1 1 29  6  18 o 29.42115 0.8052024 8.627240       0.4038870 8.572616       0.4622402 8.803544       0.8304331 -0.3355770     1.610405  
1 1 1 29  6  19 o 35.31573 0.5875334 12.49457       0.4147620 12.42626       0.5764979 12.56786       0.5971725 -0.1979980     1.175067  
1 1 1 29  6  20 o 11.23628 0.8134309 1.239798       0.1807192 1.075481       0.2353326 1.475978       0.2821391 -1.773657      1.626862  
1 1 1 29  6  21 o 19.69253 0.6113982 3.874840       0.2397790 3.762614       0.3225769 4.013415       0.3584504 -0.6319618     1.222796  
1 1 1 29  6  22 o 9.647154 0.9632921 0.9503804      0.1816340 1.014727       0.2381130 0.8608351      0.2808942 0.8068981      1.926584  
1 1 1 29  6  23 o 29.05145 0.5863791 8.465983       0.3403841 8.635253       0.4742333 8.286119       0.4888512 0.6029663      1.172758  
1 1 1 29  6  24 o 19.09835 0.6279514 3.645749       0.2394387 3.453060       0.3271053 3.868170       0.3514373 -1.082941      1.255903  
1 1 1 29  6  25 o 23.10662 1.114828  5.434917       0.5091851 4.989258       0.7612112 5.795803       0.6849967 -1.765997      2.229656  
1 1 1 29  7  0  o 45.02036 0.6131715 20.29316       0.5520536 20.22645       0.7749518 20.36189       0.7866224 -0.1495667     1.226343  
1 1 1 29  7  1  f 21.10381 0.8118271 3.865394       0.2497506 3.625744       0.2686576 5.390491       0.6777334 -4.141296      1.623654  
1 1 1 29  7  2  o 49.60246 1.008379  24.68357       1.000124  25.42951       1.429378  23.96811       1.399861  1.469364       2.016758  
1 1 1 29  7  3  f 28.98341 0.9741165 8.256176       0.5587234 6.985956       0.7337685 10.00882       0.8619201 -5.198608      1.948233  
1 1 1 29  7  4  o 35.97947 0.9531634 12.87650       0.6828722 11.68885       0.9164582 14.35896       1.023905  -3.696945      1.906327  
1 1 1 29  7  5  o 42.66376 0.9775625 18.24427       0.8332343 17.77387       1.146854  18.77017       1.212639  -1.158905      1.955125  
1 1 1 29  7  6  o 10.98699 1.782821  1.253823       0.3842591 1.019088       0.5192810 1.537925       0.5712823 -2.267480      3.565642  
1 1 1 29  7  7  f 63.72223 1.145442  40.78251       1.458797  39.95973       2.018630  41.68191       2.110539  -1.336567      2.290884  
1 1 1 29  7  8  o 15.30657 1.382675  2.369061       0.4218214 2.502480       0.5844815 2.224030       0.6093889 0.9145508      2.765351  
1 1 1 29  7  9  o 52.39781 1.035423  27.54359       1.084119  26.82056       1.495514  28.34433       1.573835  -1.442173      2.070847  
1 1 1 29  7  10 o 54.20287 1.052080  29.51714       1.140484  29.79825       1.614400  29.23707       1.611380  0.5171890      2.104159  
1 1 1 29  7  11 o 55.40753 1.071668  30.85214       1.187196  30.62625       1.655762  31.09114       1.703139  -0.4114532     2.143335  
1 1 1 29  7  12 o 44.26413 0.9999659 19.58712       0.8827982 21.65904       1.299053  17.80921       1.203362  4.332474       1.999932  
1 1 1 29  7  13 o 34.47360 0.8085393 11.61024       0.4621864 11.37290       0.5210122 12.48680       1.001291  -1.549732      1.617079  
1 1 1 29  7  14 o 14.11600 0.5723835 1.957755       0.1600331 1.673811       0.2105449 2.346244       0.2462738 -2.378203      1.144767  
1 1 1 29  7  15 f 17.05988 0.5225493 2.900066       0.1775205 2.770248       0.2381994 3.062246       0.2662380 -0.8531837     1.045099  
1 1 1 29  7  16 o 12.21729 0.6051293 1.483854       0.1471798 1.377949       0.1969204 1.617889       0.2215341 -0.9791851     1.210259  
1 1 1 29  7  17 o 41.86648 0.7695455 17.58307       0.6441935 17.47038       0.8995249 17.70172       0.9229822 -0.2727165     1.539091  
1 1 1 29  7  18 o 40.16639 0.6793960 16.27716       0.5375143 15.55313       0.8255023 16.81009       0.7082238 -1.580582      1.358792  
1 1 1 29  7  19 o 7.474833 0.9120018 0.5427834      0.1304312 0.4297572      0.1649950 0.7310926      0.2129692 -2.110325      1.824004  
1 1 1 29  7  20 o 30.84739 0.5675797 9.538141       0.3500139 9.844209       0.4943256 9.230412       0.4956660 0.9950600      1.135159  
1 1 1 29  7  21 o 34.92333 0.5846123 12.22307       0.4082852 12.24256       0.5733166 12.20301       0.5815769 0.5770874E-01  1.169225  
1 1 1 29  7  22 f 8.437256 1.082609  0.7307292      0.1785401 0.6900875      0.2552010 0.7696911      0.2498710 -0.6126804     2.165217  
1 1 1 29  7  23 o 6.316778 1.192604  0.4059212      0.1511574 0.3556154      0.1941949 0.4832544      0.2407755 -0.9415088     2.385209  
1 1 1 29  7  24 o 23.14819 1.170739  5.400226       0.5413826 5.777032       0.7819624 5.053334       0.7502812 1.554121       2.341477  
1 1 1 29  7  25 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  8  0  o 42.57372 0.9824768 18.17530       0.8359027 17.90480       1.156062  18.47165       1.210077  -0.6590919     1.964954  
1 1 1 29  8  1  o 65.34583 1.170000  42.90458       1.528944  43.59568       2.180052  42.23560       2.144883  1.035400       2.340001  
1 1 1 29  8  2  o 39.04879 0.9641746 15.15191       0.7489058 13.89334       0.9976858 16.77642       1.133489  -3.674404      1.928349  
1 1 1 29  8  3  o 22.70657 1.085966  5.179502       0.4930882 5.211251       0.6922774 5.146808       0.7024988 0.1433964      2.171932  
1 1 1 29  8  4  o 32.79558 0.9859598 10.75026       0.6452963 10.07938       0.8784693 11.53653       0.9510154 -2.211849      1.971920  
1 1 1 29  8  5  o 29.94656 1.001049  8.983656       0.5984973 8.700419       0.8177371 9.310410       0.8783115 -1.010151      2.002099  
1 1 1 29  8  6  o 69.87104 1.226366  49.06446       1.712250  48.04267       2.363402  50.19326       2.484077  -1.518143      2.452733  
1 1 1 29  8  7  o 20.84001 1.174094  4.364788       0.4881126 4.328759       0.6656505 4.406694       0.7178974 -0.1780853     2.348187  
1 1 1 29  8  8  o 40.61154 0.9874405 16.51122       0.8005170 15.80653       1.091892  17.33020       1.177109  -1.863586      1.974881  
1 1 1 29  8  9  o 48.02624 1.032095  23.12775       0.9902946 24.64574       1.432394  21.73786       1.370623  3.017857       2.064189  
1 1 1 29  8  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  8  11 o 46.72818 1.023988  21.94302       0.9568855 22.38315       1.359025  21.51030       1.347529  0.9319839      2.047976  
1 1 1 29  8  12 o 24.58944 1.100988  6.093853       0.5402641 6.297349       0.7478911 5.871769       0.7813011 0.8718128      2.201977  
1 1 1 29  8  13 f 37.05885 1.001984  13.77552       0.7418454 13.22713       1.020585  14.38985       1.080208  -1.558205      2.003968  
1 1 1 29  8  14 o 39.95876 1.005779  16.05630       0.8033824 16.49346       1.129748  15.60908       1.142670  1.108921       2.011557  
1 1 1 29  8  15 o 38.37465 1.007666  14.80482       0.7732831 14.84796       1.086096  14.76048       1.101236  0.1168060      2.015331  
1 1 1 29  8  16 f 16.22795 1.490916  2.703512       0.4733116 3.339428       0.6689952 2.066193       0.6697327 3.923180       2.981832  
1 1 1 29  8  17 o 10.09135 2.047103  1.047425       0.4416118 0.7785274      0.6054278 1.353162       0.6455702 -2.389540      4.094206  
1 1 1 29  8  18 o 31.10548 2.438500  9.847153       1.517014  9.847153       1.517014  ?              ?         ?              ?         
1 1 1 29  8  19 f 26.37086 1.670228  0.000000       0.000000  ?              ?         7.015541       0.8809074 ?              ?         
1 1 1 29  8  20 o 32.10144 0.8873930 10.18350       0.5191897 10.77454       0.9698073 9.946049       0.6146962 1.221916       1.774786  
1 1 1 29  8  21 o 26.36919 0.5384364 6.965410       0.2839178 6.909205       0.3973862 7.024016       0.4057862 -0.2166576     1.076873  
1 1 1 29  8  22 o 13.18240 1.884075  1.827883       0.4877666 2.510447       0.7058192 1.203928       0.6748358 5.049445       3.768150  
1 1 1 29  8  23 o 16.93533 1.498396  2.908402       0.5069169 3.112906       0.7324975 2.720445       0.7022371 1.147419       2.996792  
1 1 1 29  8  24 o 19.84718 1.440432  4.016684       0.5601366 5.078357       0.8093764 3.040807       0.7759838 5.121450       2.880863  
1 1 1 29  9  0  o 18.50072 1.873153  0.000000       0.000000  ?              ?         3.445044       0.6930936 ?              ?         
1 1 1 29  9  1  o 23.84979 1.097800  5.717635       0.5231758 5.990758       0.7394189 5.443826       0.7403467 1.146755       2.195599  
1 1 1 29  9  2  o 19.54932 1.228902  3.848450       0.4798956 4.010967       0.6729164 3.680248       0.6845839 0.8477955      2.457804  
1 1 1 29  9  3  o 23.80674 1.122512  5.625247       0.5310174 4.896656       0.7093895 6.553809       0.8008441 -3.466446      2.245025  
1 1 1 29  9  4  o 18.30046 1.932902  3.350906       0.5899349 3.259764       0.6754486 3.644044       1.211344  -0.6151237     3.865804  
1 1 1 29  9  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  9  6  o 40.38588 1.474232  0.000000       0.000000  ?              ?         16.38327       1.190763  ?              ?         
1 1 1 29  9  7  o 38.11205 1.001193  14.57783       0.7625262 14.40151       1.054548  14.77104       1.103894  -0.4775467     2.002385  
1 1 1 29  9  8  o 21.05055 1.227643  4.476106       0.5147250 4.872225       0.7213405 4.065172       0.7347058 1.919401       2.455286  
1 1 1 29  9  9  o 43.75320 1.021564  19.16436       0.8917672 18.28818       1.210841  20.20297       1.318299  -2.170658      2.043127  
1 1 1 29  9  10 o 56.91011 1.106327  32.46522       1.256283  31.01221       1.707021  34.18212       1.855564  -2.757141      2.212653  
1 1 1 29  9  11 o 39.80652 1.000708  15.91077       0.7960895 15.59684       1.100599  16.25524       1.152902  -0.8178101     2.001416  
1 1 1 29  9  12 o 27.31091 1.079351  7.488945       0.5886633 7.276510       0.8063446 7.731362       0.8613679 -0.8222580     2.158702  
1 1 1 29  9  13 o 31.11442 1.029475  9.733223       0.6400051 9.746161       0.8861036 9.719110       0.9253811 0.5064964E-01  2.058950  
1 1 1 29  9  14 o 20.69701 1.268782  4.270901       0.5217255 3.674603       0.6999693 5.016267       0.7825865 -3.221972      2.537563  
1 1 1 29  9  15 o 26.01086 1.126335  6.819019       0.5848197 7.330681       0.8295392 6.313430       0.8246030 1.954361       2.252670  
1 1 1 29  9  16 o 32.02972 1.050207  10.33681       0.6715656 10.61203       0.9304274 10.03750       0.9703014 0.9052086      2.100414  
1 1 1 29  9  17 o 41.65981 1.035250  17.45451       0.8621106 17.17402       1.196335  17.75753       1.243446  -0.6902199     2.070500  
1 1 1 29  9  18 o 27.54991 1.109510  7.647040       0.6109816 8.014319       0.8716069 7.292213       0.8567029 1.306849       2.219021  
1 1 1 29  9  19 o 21.90634 1.866777  4.850991       0.8178850 4.850991       0.8178850 ?              ?         ?              ?         
1 1 1 29  9  20 o 30.20387 2.401403  0.000000       0.000000  ?              ?         9.292364       1.450633  ?              ?         
1 1 1 29  9  21 o 37.28395 1.064834  14.00247       0.7936074 14.17886       1.143836  13.83874       1.101994  0.4454041      2.129668  
1 1 1 29  9  22 o 27.82935 1.137372  7.810493       0.6327786 8.125602       0.9077957 7.512695       0.8825083 1.093937       2.274745  
1 1 1 29  9  23 o 18.51855 1.453637  3.483832       0.5376705 3.333225       0.7680061 3.628603       0.7529783 -0.8028469     2.907273  
1 1 1 29  9  24 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  10 0  o 19.32299 2.650012  3.784001       1.024123  3.784001       1.024123  ?              ?         ?              ?         
1 1 1 29  10 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  10 2  o 15.85358 2.104295  0.000000       0.000000  ?              ?         2.535048       0.6672121 ?              ?         
1 1 1 29  10 3  o 24.44448 1.138407  5.989536       0.5552578 5.776151       0.7549949 6.240921       0.8194678 -0.9402943     2.276814  
1 1 1 29  10 4  o 13.59039 1.750908  1.918350       0.4620207 2.212249       0.6488817 1.616127       0.6580055 2.421069       3.501815  
1 1 1 29  10 5  o 46.72987 1.041857  21.90506       0.9719065 21.47318       1.329033  22.40153       1.424940  -0.9787064     2.083714  
1 1 1 29  10 6  o 21.26740 1.222264  4.566861       0.5166988 4.711174       0.6998758 4.393970       0.7660439 0.7576599      2.444528  
1 1 1 29  10 7  o 13.38461 1.768983  1.872476       0.4587477 2.081187       0.6249084 1.628542       0.6755856 1.936063       3.537966  
1 1 1 29  10 8  o 18.84740 1.358469  3.628433       0.5048264 4.199148       0.7010415 3.013723       0.7275615 3.150581       2.716938  
1 1 1 29  10 9  o 7.392415 2.030200  0.3473133      0.4345962 0.4933946      0.5943626 0.1794780      0.6370825 0.8252392      4.060399  
1 1 1 29  10 10 o 7.533922 2.041362  0.3784960      0.4385333 0.5711669      0.6115323 0.1745284      0.6292046 1.211531       4.082725  
1 1 1 29  10 11 f 23.16204 1.169489  5.373778       0.5401278 5.054474       0.7300535 5.759921       0.8028353 -1.507833      2.338977  
1 1 1 29  10 12 o 15.15981 1.577555  2.302652       0.4755604 2.010413       0.6385612 2.666590       0.7126019 -2.143427      3.155110  
1 1 1 29  10 13 o 52.95041 1.091503  28.12323       1.153488  26.91085       1.570474  29.54342       1.699740  -2.459854      2.183007  
1 1 1 29  10 14 o 28.93154 1.075702  8.401597       0.6209730 8.123569       0.8444754 8.728925       0.9162908 -1.031197      2.151404  
1 1 1 29  10 15 o 32.76656 1.063681  10.59083       0.6899315 8.953258       0.9077881 12.83028       1.061585  -5.883551      2.127362  
1 1 1 29  10 16 o 32.50173 1.057602  10.58498       0.6858087 9.944451       0.9312518 11.34401       1.013752  -2.135027      2.115203  
1 1 1 29  10 17 f 26.72459 1.143001  7.167254       0.6094846 6.617018       0.8304880 7.809530       0.8972624 -2.214083      2.286002  
1 1 1 29  10 18 o 24.53741 1.222738  6.096742       0.5957961 6.987169       0.8481253 5.229217       0.8371477 3.579250       2.445475  
1 1 1 29  10 19 o 21.65506 1.324530  4.747931       0.5687712 5.574503       0.8184589 3.975944       0.7909728 3.682777       2.649061  
1 1 1 29  10 20 o 28.69227 1.722652  8.314704       0.9885361 8.314704       0.9885361 ?              ?         ?              ?         
1 1 1 29  10 21 o 30.79326 2.448966  0.000000       0.000000  ?              ?         9.685318       1.508233  ?              ?         
1 1 1 29  10 22 o 31.40843 1.135318  9.963995       0.7122757 9.644441       1.022222  10.26556       0.9930323 -0.9968586     2.270637  
1 1 1 29  10 23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  11 0  o 36.80399 1.021783  13.60048       0.7520695 13.80409       1.066302  13.39893       1.060892  0.5496674      2.043565  
1 1 1 29  11 1  f 42.73133 1.042317  18.19599       0.8868997 16.82900       1.188400  19.91448       1.332455  -3.589035      2.084634  
1 1 1 29  11 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  11 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  11 4  f 60.70436 1.654322  0.000000       0.000000  ?              ?         37.05996       2.008490  ?              ?         
1 1 1 29  11 5  o 27.30227 1.117684  7.493183       0.6098112 7.905700       0.8690965 7.093133       0.8558624 1.485861       2.235368  
1 1 1 29  11 6  o 48.03203 1.066608  23.15878       1.023866  24.40548       1.476124  22.00288       1.421358  2.491756       2.133217  
1 1 1 29  11 7  o 18.63408 1.390163  3.544822       0.5091055 4.285333       0.7189743 2.800136       0.7209979 3.985624       2.780326  
1 1 1 29  11 8  o 33.83026 1.070100  11.49559       0.7233509 11.20827       0.9971778 11.81469       1.050879  -0.8862495     2.140200  
1 1 1 29  11 9  o 24.89047 1.182495  6.113109       0.5824715 5.141555       0.7664589 7.441234       0.8961380 -4.592621      2.364991  
1 1 1 29  11 10 o 16.72146 1.686643  3.036539       0.5079417 4.303578       0.7129303 1.730314       0.7238706 7.893971       3.373286  
1 1 1 29  11 11 o 13.03159 1.889323  1.787051       0.4736395 1.766936       0.6338019 1.812492       0.7127889 -0.1132917     3.778646  
1 1 1 29  11 12 o 38.05784 1.038380  14.56783       0.7895673 14.60107       1.092986  14.53156       1.141849  0.1007805      2.076761  
1 1 1 29  11 13 o 18.16195 1.439346  3.333781       0.5225062 3.266781       0.7238458 3.406675       0.7550099 -0.3763599     2.878692  
1 1 1 29  11 14 o 29.79309 1.104303  8.870811       0.6554683 8.154675       0.8815895 9.756064       0.9801721 -2.665785      2.208606  
1 1 1 29  11 15 o 17.55665 1.521157  3.050818       0.5222875 2.267781       0.6880048 4.115803       0.8023651 -5.227292      3.042315  
1 1 1 29  11 16 o 25.33522 1.210785  6.524240       0.6089377 7.215129       0.8456004 5.780025       0.8776283 2.840836       2.421570  
1 1 1 29  11 17 o 47.22913 1.087702  22.44664       1.026841  23.46645       1.478277  21.49582       1.427404  2.074055       2.175403  
1 1 1 29  11 18 f 18.78322 1.502902  3.587769       0.5620930 3.195030       0.7929665 3.984400       0.7968872 -2.099934      3.005804  
1 1 1 29  11 19 o 30.07843 1.152065  9.111038       0.6880514 10.67748       0.9991232 7.698058       0.9489200 4.939121       2.304130  
1 1 1 29  11 20 o 8.627546 2.183638  0.5621533      0.5068647 0.9575626E-01  0.6963715 1.087643       0.7391715 -3.271789      4.367276  
1 1 1 29  11 21 o 47.14661 2.442370  22.68665       2.302990  22.68665       2.302990  ?              ?         ?              ?         
1 1 1 29  11 22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  12 0  o 24.68230 1.176729  6.143406       0.5792392 6.443089       0.8031515 5.818566       0.8361826 1.270775       2.353457  
1 1 1 29  12 1  o 22.06212 1.246614  4.897830       0.5499088 5.059846       0.7829463 4.740096       0.7725353 0.7227612      2.493228  
1 1 1 29  12 2  o 49.16015 1.092027  24.26092       1.072659  23.71702       1.478909  24.86465       1.558127  -1.154480      2.184053  
1 1 1 29  12 3  o 44.79815 1.501868  20.16568       1.345618  20.16568       1.345618  ?              ?         ?              ?         
1 1 1 29  12 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  12 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  12 6  o 11.14885 2.127141  1.294945       0.4885201 1.048290       0.6640843 1.585842       0.7211864 -2.144604      4.254282  
1 1 1 29  12 7  o 42.13267 1.069396  17.83777       0.8993111 19.45250       1.292168  16.32091       1.252400  3.708881       2.138792  
1 1 1 29  12 8  o 21.87277 1.311027  4.825306       0.5734835 4.888242       0.8116100 4.762549       0.8104476 0.2870560      2.622053  
1 1 1 29  12 9  f 25.55452 1.176553  6.556323       0.5999434 7.215643       0.8726162 5.965303       0.8261829 2.436735       2.353105  
1 1 1 29  12 10 o 30.58490 1.110568  9.299212       0.6751419 8.180225       0.9007674 10.73370       1.019878  -4.150347      2.221136  
1 1 1 29  12 11 o 34.58865 1.087545  12.07328       0.7500979 12.65961       1.039030  11.43511       1.083995  1.779354       2.175090  
1 1 1 29  12 12 o 27.38834 1.195513  7.578817       0.6531614 8.107766       0.9166718 7.033307       0.9309123 1.964884       2.391027  
1 1 1 29  12 13 o 51.21342 1.108034  26.36655       1.133925  27.85343       1.640475  25.00619       1.569127  2.763935       2.216068  
1 1 1 29  12 14 f 56.93980 1.151626  32.67527       1.311129  32.47984       1.831214  32.88084       1.878109  -0.3406487     2.303252  
1 1 1 29  12 15 o 47.56472 1.099858  22.80195       1.046051  23.25772       1.475185  22.34101       1.483529  0.9656944      2.199717  
1 1 1 29  12 16 f 25.61937 1.231220  6.608887       0.6294420 6.391872       0.8566463 6.863534       0.9279545 -0.9011612     2.462439  
1 1 1 29  12 17 o 17.16454 1.752922  3.127680       0.5599228 4.150223       0.7923478 2.107699       0.7913539 6.166421       3.505844  
1 1 1 29  12 18 f 11.76046 2.183649  1.459851       0.5327579 1.953185       0.7719276 1.011117       0.7362077 3.537269       4.367297  
1 1 1 29  12 19 o 20.10426 1.464569  4.107025       0.5883749 4.254194       0.8264983 3.955806       0.8377920 0.7462749      2.929137  
1 1 1 29  12 20 o 32.97586 1.134722  10.96902       0.7482644 11.07819       1.068967  10.86413       1.047763  0.3186951      2.269443  
1 1 1 29  12 21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  13 0  o 29.40618 1.133518  8.691054       0.6657174 9.332583       0.9525083 8.078433       0.9308000 2.128780       2.267035  
1 1 1 29  13 1  o 32.49081 1.104517  10.59407       0.7170829 10.14775       0.9892287 11.08829       1.040965  -1.438564      2.209033  
1 1 1 29  13 2  o 26.49579 1.175896  7.061304       0.6226041 7.472106       0.8903195 6.668146       0.8709891 1.513493       2.351793  
1 1 1 29  13 3  f 53.18852 1.130799  28.38647       1.199943  27.45400       1.630478  29.48826       1.772335  -1.885387      2.261599  
1 1 1 29  13 4  o 38.35247 1.078100  14.77218       0.8256903 14.43911       1.131741  15.15123       1.207325  -0.9142570     2.156199  
1 1 1 29  13 5  o 20.15489 2.003483  4.102755       0.8075998 4.102755       0.8075998 ?              ?         ?              ?         
1 1 1 29  13 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  13 7  o 67.68398 1.810090  0.000000       0.000000  ?              ?         46.18693       2.450282  ?              ?         
1 1 1 29  13 8  o 31.37775 1.143313  9.906597       0.7171626 9.767426       0.9965670 10.05609       1.032848  -0.4525013     2.286627  
1 1 1 29  13 9  o 6.959887 2.069862  0.7932492E-01  0.4895828 0.1199934      0.6763321 0.3455523E-01  0.7096157 0.6437540E-01  4.139724  
1 1 1 29  13 10 o 12.81595 2.058738  1.677368       0.5203761 1.135606       0.6827673 2.428237       0.8038042 -4.773114      4.117476  
1 1 1 29  13 11 o 25.13766 1.223200  6.373246       0.6147889 6.557455       0.8702960 6.189757       0.8685922 0.7309551      2.446400  
1 1 1 29  13 12 o 18.50679 1.553586  3.502748       0.5698708 3.855891       0.7846907 3.108628       0.8289691 2.032789       3.107172  
1 1 1 29  13 13 f 21.20773 1.395756  4.571585       0.5882582 4.759683       0.7988569 4.348765       0.8694665 0.9903469      2.791513  
1 1 1 29  13 14 o 44.18525 1.109757  19.67257       0.9805335 19.57064       1.372677  19.77877       1.401128  -0.2284927     2.219514  
1 1 1 29  13 15 o 7.824618 2.167963  0.3569615      0.4990096 0.1468758      0.6845907 0.5951253      0.7289043 -1.477563      4.335926  
1 1 1 29  13 16 o 36.45769 1.118154  13.40197       0.8147373 14.04450       1.156927  12.76980       1.147556  1.745789       2.236309  
1 1 1 29  13 17 o 9.902934 2.312496  0.9627521      0.5304824 0.8178104      0.7099111 1.146019       0.7982691 -1.313503      4.624991  
1 1 1 29  13 18 o 13.44378 1.995904  2.003342       0.5462854 3.056172       0.7569070 0.8586578      0.7892351 7.782592       3.991808  
1 1 1 29  13 19 f 22.68382 1.415717  5.230031       0.6404702 5.469000       0.8872935 4.970076       0.9254332 1.112881       2.831435  
1 1 1 29  13 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  14 0  o 35.78533 1.113259  12.88365       0.7965391 13.21679       1.125268  12.54908       1.127688  0.9333916      2.226517  
1 1 1 29  14 1  o 19.68126 1.478408  3.843631       0.5746461 3.101299       0.7621081 4.821846       0.8748519 -4.342533      2.956815  
1 1 1 29  14 2  f 62.56313 1.217764  39.43036       1.523640  39.97091       2.155434  38.89049       2.154072  0.8631706      2.435529  
1 1 1 29  14 3  o 34.73993 1.114665  12.16016       0.7731614 12.51182       1.072871  11.78021       1.115187  1.061275       2.229330  
1 1 1 29  14 4  o 26.80798 1.209348  7.226362       0.6460792 8.113333       0.9345194 6.414274       0.8942014 3.160368       2.418697  
1 1 1 29  14 5  o 44.78300 1.109472  20.17917       0.9936633 20.20723       1.399063  20.15062       1.411525  0.6566238E-01  2.218944  
1 1 1 29  14 6  o 43.88265 1.327876  19.08175       1.100710  18.40496       1.340030  20.48553       1.929908  -2.230518      2.655752  
1 1 1 29  14 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  14 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  14 9  o 31.48313 1.187405  9.906081       0.7444974 8.937101       1.001602  11.10244       1.112933  -3.412619      2.374810  
1 1 1 29  14 10 o 29.35857 1.243164  8.730459       0.7259526 9.111060       0.9902691 8.288290       1.067364  1.420458       2.486328  
1 1 1 29  14 11 o 39.87498 1.126426  16.01313       0.8959144 15.90552       1.221222  16.13855       1.318377  -0.2688828     2.252853  
1 1 1 29  14 12 f 26.51999 1.261406  7.122378       0.6661932 7.336328       0.9097021 6.874938       0.9783143 0.8892002      2.522812  
1 1 1 29  14 13 o 27.62897 1.227754  7.689472       0.6771247 7.465161       0.9242401 7.949367       0.9948518 -0.8571587     2.455507  
1 1 1 29  14 14 o 33.75830 1.158536  11.50056       0.7816441 11.73614       1.092378  11.25339       1.118923  0.7219276      2.317072  
1 1 1 29  14 15 o 13.95530 2.096444  2.075903       0.5676931 1.879467       0.7986714 2.276493       0.8070732 -1.407606      4.192889  
1 1 1 29  14 16 o 40.03908 1.124473  16.16178       0.9000406 16.85959       1.290480  15.50084       1.255923  1.687180       2.248945  
1 1 1 29  14 17 o 19.21585 1.561408  3.734717       0.5950447 3.109651       0.8113149 4.462383       0.8753719 -3.494968      3.122817  
1 1 1 29  14 18 f 25.74592 1.334612  6.736721       0.6841340 7.094600       0.9412526 6.335920       0.9960985 1.491238       2.669225  
1 1 1 29  14 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  15 0  o 23.65062 1.319996  5.644250       0.6241218 5.753983       0.8762375 5.531250       0.8891880 0.4738941      2.639993  
1 1 1 29  15 1  o 15.92936 1.767099  2.561870       0.5331824 1.774025       0.7046251 3.617278       0.8155450 -5.960914      3.534199  
1 1 1 29  15 2  o 25.00117 1.296268  6.286314       0.6469420 6.043710       0.8825871 6.568030       0.9510748 -1.032892      2.592535  
1 1 1 29  15 3  o 43.94707 1.129953  19.40913       0.9921816 20.65251       1.431648  18.26002       1.376302  2.710857       2.259907  
1 1 1 29  15 4  o 34.53981 1.162006  11.99620       0.8021439 11.51503       1.110250  12.52164       1.160204  -1.446590      2.324012  
1 1 1 29  15 5  o 29.34983 1.231114  8.704218       0.7199041 9.582363       1.018781  7.828425       1.017416  2.987671       2.462228  
1 1 1 29  15 6  o 10.40603 2.304922  1.110503       0.5474398 1.396618       0.7334872 0.7507007      0.8225358 2.134908       4.609845  
1 1 1 29  15 7  f 18.83581 1.590359  3.563323       0.5938998 2.962397       0.8014461 4.295220       0.8844823 -3.511869      3.180718  
1 1 1 29  15 8  o 28.18558 2.718479  8.111146       1.532438  8.111146       1.532438  ?              ?         ?              ?         
1 1 1 29  15 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  15 10 o 12.19530 2.225797  1.600023       0.5591040 2.042689       0.7798560 1.131870       0.8019934 3.329487       4.451594  
1 1 1 29  15 11 o 19.92783 1.549168  4.012159       0.6157695 3.782472       0.8342263 4.287101       0.9127164 -1.239248      3.098335  
1 1 1 29  15 12 o 32.85741 1.177827  10.75629       0.7691247 9.642128       1.021509  12.21468       1.168704  -3.876131      2.355654  
1 1 1 29  15 13 o 15.68799 1.978984  2.581941       0.5998597 2.699871       0.8024845 2.432601       0.9030517 1.166269       3.957968  
1 1 1 29  15 14 o 46.58097 1.146010  21.78888       1.064731  20.53209       1.442046  23.29522       1.578735  -2.928253      2.292021  
1 1 1 29  15 15 o 41.10862 1.166464  17.06257       0.9585043 17.82854       1.363689  16.31466       1.347515  1.836555       2.332928  
1 1 1 29  15 16 o 44.19663 1.172148  19.69965       1.035486  19.14300       1.434510  20.30523       1.496237  -1.297066      2.344296  
1 1 1 29  15 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  16 0  o 45.51620 1.121838  20.82365       1.020263  20.29222       1.406301  21.41419       1.482448  -1.217182      2.243675  
1 1 1 29  16 1  o 18.99241 1.626436  3.635184       0.6152585 3.435183       0.8258741 3.884618       0.9223045 -1.154560      3.252871  
1 1 1 29  16 2  o 22.42825 1.452254  5.014529       0.6449440 4.136872       0.8615772 6.133114       0.9726712 -4.420214      2.904507  
1 1 1 29  16 3  o 32.44038 1.226659  10.62045       0.7934280 10.75018       1.084392  10.47098       1.163985  0.4491501      2.453317  
1 1 1 29  16 4  o 12.35492 2.235217  1.604784       0.5640509 1.168409       0.7717566 2.105170       0.8264232 -3.429055      4.470434  
1 1 1 29  16 5  o 43.00374 1.150710  18.60113       0.9876105 18.19078       1.347456  19.07747       1.451752  -1.007000      2.301420  
1 1 1 29  16 6  o 29.90132 1.269041  9.010899       0.7568762 8.858863       1.029458  9.189770       1.116616  -0.5308971     2.538082  
1 1 1 29  16 7  o 32.44698 1.218571  10.61983       0.7906439 10.46397       1.105689  10.78291       1.131020  -0.4848480     2.437143  
1 1 1 29  16 8  o 56.65443 1.229203  32.21470       1.387352  30.37012       1.864225  34.50438       2.077002  -3.590176      2.458405  
1 1 1 29  16 9  o 49.87029 1.663053  25.08551       1.658738  25.08551       1.658738  ?              ?         ?              ?         
1 1 1 29  16 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  16 11 o 15.79798 2.966100  0.000000       0.000000  ?              ?         2.643908       0.9026381 ?              ?         
1 1 1 29  16 12 f 17.01527 1.970086  2.942263       0.6335046 1.946970       0.8332101 4.305952       0.9752963 -7.084212      3.940171  
1 1 1 29  16 13 o 11.62959 2.292847  1.395855       0.5795230 0.8163979      0.7952191 2.052150       0.8463026 -4.394156      4.585693  
1 1 1 29  16 14 o 9.992706 2.413591  0.9711688      0.5809740 1.040844       0.8084471 0.8967592      0.8354613 0.4259243      4.827182  
1 1 1 29  16 15 o 64.01077 1.675720  42.53582       1.990870  43.95803       2.428018  39.61765       3.477956  3.809147       3.351441  
1 1 1 29  16 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  17 0  o 18.24676 1.673364  3.386143       0.6078349 3.796217       0.8665876 2.989019       0.8527951 2.207411       3.346729  
1 1 1 29  17 1  o 50.80377 1.180822  25.90877       1.196941  24.56212       1.625456  27.50398       1.769116  -2.861664      2.361644  
1 1 1 29  17 2  o 10.64299 2.227679  1.111743       0.5603033 1.846223       0.7877690 0.3597794      0.7970902 5.040056       4.455358  
1 1 1 29  17 3  o 20.01991 1.597710  4.012150       0.6353939 3.510640       0.8454944 4.662901       0.9631171 -2.839849      3.195421  
1 1 1 29  17 4  o 47.18892 1.186719  22.45102       1.119252  22.35940       1.553323  22.54995       1.614152  -0.1867142     2.373437  
1 1 1 29  17 5  o 27.47498 1.338295  7.611037       0.7340519 7.277575       1.001787  7.997661       1.078686  -1.287674      2.676589  
1 1 1 29  17 6  o 51.55957 1.201551  26.72326       1.235815  25.46731       1.675755  28.22074       1.829800  -2.628830      2.403101  
1 1 1 29  17 7  o 28.05452 1.337989  7.910100       0.7478233 7.024492       1.017587  8.950045       1.102696  -3.406750      2.675979  
1 1 1 29  17 8  o 63.58636 1.279783  40.74805       1.624828  39.15078       2.221056  42.58706       2.383213  -2.655701      2.559566  
1 1 1 29  17 9  o 71.67183 1.355375  51.91597       1.941537  53.85979       2.808906  50.13764       2.686666  2.558586       2.710751  
1 1 1 29  17 10 o 21.73502 1.941360  5.089551       0.7836350 5.661927       0.9811931 4.081433       1.302176  3.777756       3.882720  
1 1 1 29  17 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  17 12 f 12.73400 3.623677  0.000000       0.000000  ?              ?         1.743969       0.9671570 ?              ?         
1 1 1 29  17 13 o 43.61847 1.208919  19.22191       1.054351  19.47299       1.480831  18.96376       1.501540  0.5898399      2.417838  
1 1 1 29  17 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  18 0  f 74.73087 1.384027  56.47809       2.068248  56.94579       2.906366  55.99824       2.943884  0.6446762      2.768054  
1 1 1 29  18 1  o 24.51273 1.409819  6.040602       0.6885656 5.399306       0.9341391 6.803609       1.018935  -2.838779      2.819637  
1 1 1 29  18 2  o 31.41095 1.277640  9.968220       0.8024632 10.23630       1.137754  9.702853       1.131976  0.8475037      2.555279  
1 1 1 29  18 3  f 12.09984 2.392481  1.557604       0.6021574 1.426074       0.8368763 1.698801       0.8670852 -0.9786892     4.784961  
1 1 1 29  18 4  o 27.07594 1.391235  7.413222       0.7530057 7.221544       1.044950  7.620277       1.086061  -0.7237129     2.782470  
1 1 1 29  18 5  f 29.59974 1.304074  8.837399       0.7708141 8.556236       1.055338  9.158912       1.128531  -0.9968586     2.608147  
1 1 1 29  18 6  o 10.87862 2.374505  1.183164       0.5948384 0.6640566      0.8327245 1.724031       0.8499988 -3.592995      4.749010  
1 1 1 29  18 7  o 42.06091 1.211756  17.84757       1.018903  17.33971       1.415795  18.39320       1.467488  -1.237724      2.423513  
1 1 1 29  18 8  o 15.42010 2.148652  2.516348       0.6481880 2.980521       0.9153267 2.049427       0.9180318 3.269877       4.297304  
1 1 1 29  18 9  o 53.75628 1.252259  29.16224       1.343311  28.40389       1.829845  30.04862       1.978282  -1.482975      2.504518  
1 1 1 29  18 10 o 41.58183 1.231225  17.42550       1.022148  16.66885       1.396020  18.29991       1.500723  -1.929211      2.462449  
1 1 1 29  18 11 o 16.29013 2.213467  2.732010       0.7025346 2.146006       0.9299077 3.511229       1.072307  -4.362868      4.426933  
1 1 1 29  18 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  19 0  o 21.02623 1.616693  4.466009       0.6777115 4.051029       0.9200705 4.958208       1.002023  -2.127995      3.233385  
1 1 1 29  19 1  o 61.05166 1.286890  37.55077       1.569041  40.23251       2.287723  35.16885       2.156045  4.109646       2.573779  
1 1 1 29  19 2  o 26.64020 1.420421  7.158236       0.7545493 6.434229       1.034272  7.982039       1.103253  -2.883158      2.840843  
1 1 1 29  19 3  o 29.28104 1.371264  8.655536       0.8016222 8.321111       1.094762  9.042114       1.177033  -1.205442      2.742528  
1 1 1 29  19 4  o 6.996501 2.175651  -0.1853540     0.5889425 -0.1382564     0.8356751 -0.2318292     0.8301333 0.2095079      4.351303  
1 1 1 29  19 5  o 17.25778 2.017198  3.151519       0.6619658 4.062543       0.9453917 2.275228       0.9271956 5.416693       4.034397  
1 1 1 29  19 6  o 11.77337 2.460490  1.469736       0.6198522 1.373942       0.8600075 1.573298       0.8941988 -0.7127848     4.920980  
1 1 1 29  19 7  o 21.03250 1.765016  4.558681       0.7359900 5.020681       1.015328  4.047128       1.068392  2.337774       3.530032  
1 1 1 29  19 8  o 36.18327 1.304412  13.24998       0.9435290 13.37436       1.318446  13.11942       1.350847  0.3626366      2.608823  
1 1 1 29  19 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  19 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  20 0  o 61.61393 1.317346  38.40333       1.623062  38.96806       2.286834  37.83011       2.303973  0.9287148      2.634691  
1 1 1 29  20 1  o 8.469765 2.378444  0.3200876      0.6194398 -0.9673376E-01 0.8412657 0.8136851      0.9154713 -2.526912      4.756888  
1 1 1 29  20 2  o 30.92835 1.398880  9.704681       0.8639646 9.881892       1.195936  9.511246       1.249483  0.6175995      2.797759  
1 1 1 29  20 3  o 43.16331 1.260193  18.83714       1.087188  18.72119       1.508773  18.96237       1.567968  -0.2605896     2.520386  
1 1 1 29  20 4  o 10.50393 2.315702  0.8845059      0.6419212 -0.2112780     0.8924110 2.059346       0.9240423 -6.608118      4.631404  
1 1 1 29  20 5  o 48.37063 1.244725  23.65355       1.203789  23.90435       1.687224  23.39350       1.718023  0.5374451      2.489450  
1 1 1 29  20 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  20 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  21 0  o 20.45374 2.163597  4.313471       0.8836178 4.464811       1.294786  4.181546       1.208881  0.6460133      4.327194  
1 1 1 29  21 1  o 57.59570 1.749530  33.85489       2.014626  32.95994       2.805771  34.80735       2.894523  -1.565674      3.499060  
1 1 1 29  21 2  o 9.967652 4.149566  0.3534288      1.369421  0.3534288      1.369421  ?              ?         ?              ?         
1 1 1 29  21 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  21 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 29  22 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  0  0  o 11.74322 1.809164  1.451957       0.4025812 1.451957       0.4025812 1.451957       0.4025812 -0.000000      0.000000  
1 1 1 30  0  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  0  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  0  3  o 7.282025 1.921371  0.7185104      0.2695374 0.8963034      0.3852294 0.5479958      0.3772622 -0.000000      0.000000  
1 1 1 30  0  4  o 35.95908 0.8279758 12.98436       0.5939159 13.41492       0.8476290 12.56912       0.8324255 -0.000000      0.000000  
1 1 1 30  0  5  o 44.27837 0.8875588 19.66894       0.7841017 19.31853       1.086137  20.05033       1.133130  -0.000000      0.000000  
1 1 1 30  0  6  o 12.70877 1.230286  1.700844       0.2993784 1.796387       0.4108369 1.592666       0.4371578 -0.000000      0.000000  
1 1 1 30  0  7  o 98.83194 1.549657  98.27590       3.059119  97.16530       4.274079  99.44244       4.380372  -0.000000      0.000000  
1 1 1 30  0  8  o 18.30539 0.9647935 3.413784       0.3490942 3.279651       0.4930803 3.548587       0.4943093 -0.000000      0.000000  
1 1 1 30  0  9  o 65.04585 1.106639  42.45148       1.436836  41.43875       1.988293  43.55841       2.078708  -0.000000      0.000000  
1 1 1 30  0  10 o 25.17921 0.8307753 6.389814       0.4163773 6.285056       0.5846114 6.497664       0.5931748 -0.000000      0.000000  
1 1 1 30  0  11 o 20.27887 0.9066724 4.169345       0.3645102 4.170479       0.5239570 4.168281       0.5074308 -0.000000      0.000000  
1 1 1 30  0  12 o 35.57455 0.8356586 12.69702       0.5925855 13.27085       0.8603918 12.17917       0.8173488 -0.000000      0.000000  
1 1 1 30  0  13 o 42.07976 0.8783363 17.77963       0.7375988 18.12548       1.057690  17.45219       1.029141  -0.000000      0.000000  
1 1 1 30  0  14 f 89.42799 1.425704  80.49945       2.546969  80.93528       3.621893  80.07310       3.582348  -0.000000      0.000000  
1 1 1 30  0  15 o 27.66400 0.8230745 7.732130       0.4521051 7.206218       0.6500467 8.224864       0.6292087 -0.000000      0.000000  
1 1 1 30  0  16 o 18.84582 0.9614533 3.647014       0.3537008 3.394504       0.5338772 3.844550       0.4721992 -0.000000      0.000000  
1 1 1 30  0  17 o 24.92343 0.8490037 6.108119       0.4155788 7.395278       0.6533294 5.233382       0.5385854 -0.000000      0.000000  
1 1 1 30  0  18 o 19.03374 0.9537829 3.659395       0.3571687 3.923287       0.5426400 3.457676       0.4744296 -0.000000      0.000000  
1 1 1 30  0  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  0  20 o 36.75047 0.8684376 13.61440       0.6352006 12.91697       0.9140489 14.26578       0.8833559 -0.000000      0.000000  
1 1 1 30  0  21 f 14.50907 1.218017  2.255998       0.3280478 1.826962       0.5014767 2.576933       0.4337231 -0.000000      0.000000  
1 1 1 30  0  22 o 18.76944 0.9800588 3.625665       0.3593101 3.326757       0.5370384 3.867903       0.4834570 -0.000000      0.000000  
1 1 1 30  0  23 f 22.89085 0.8904777 5.303982       0.4023435 5.281688       0.6040686 5.321758       0.5394056 -0.000000      0.000000  
1 1 1 30  0  24 o 36.09790 0.8556132 12.99226       0.6122985 14.11130       0.9316949 12.14151       0.8123612 -0.000000      0.000000  
1 1 1 30  1  0  o 38.61071 0.7394693 14.98479       0.5347480 15.07549       0.6517621 14.79799       0.9353699 0.3849106      1.478939  
1 1 1 30  1  1  o 11.28277 0.9001248 1.297895       0.1974455 1.659467       0.2807106 0.9438506      0.2777728 3.170954       1.800250  
1 1 1 30  1  2  o 11.35205 0.9103639 1.286628       0.2061935 1.202128       0.2801893 1.386450       0.3045328 -0.8089418     1.820728  
1 1 1 30  1  3  o 27.67776 0.7819632 7.650553       0.4316891 6.907115       0.5927458 8.490251       0.6299527 -2.856050      1.563926  
1 1 1 30  1  4  o 16.06266 0.9592146 2.592726       0.3021247 3.307685       0.4405943 1.958162       0.4150837 4.197550       1.918429  
1 1 1 30  1  5  o 32.67987 0.5757384 10.65453       0.3756120 9.929267       0.5139614 11.48594       0.5502883 -2.378832      1.151477  
1 1 1 30  1  6  o 39.96533 0.5997369 15.99289       0.4793262 15.84649       0.6721478 16.14439       0.6837400 -0.3717308     1.199474  
1 1 1 30  1  7  o 8.396485 1.184874  0.7340758      0.1919652 0.6498088      0.2680925 0.8227403      0.2749987 -1.029509      2.369748  
1 1 1 30  1  8  o 48.14494 0.6489869 23.21984       0.6249046 23.24314       0.8823974 23.19641       0.8851058 0.4879761E-01  1.297974  
1 1 1 30  1  9  o 45.87596 0.6344095 21.07969       0.5820246 20.93960       0.8163244 21.22454       0.8300617 -0.3092461     1.268819  
1 1 1 30  1  10 o 13.71384 0.7995371 1.880200       0.2168134 1.517591       0.2969182 2.294406       0.3173406 -2.829670      1.599074  
1 1 1 30  1  11 o 9.646843 1.058700  0.9365166      0.2040493 0.9637494      0.2849836 0.9078687      0.2922938 0.2909403      2.117401  
1 1 1 30  1  12 o 68.77573 0.8147535 47.36708       1.119231  45.79549       1.535635  49.14790       1.634665  -2.423042      1.629507  
1 1 1 30  1  13 o 80.83275 0.9994372 65.65401       1.598450  65.73906       2.446337  65.59066       2.111537  0.3295135E-01  1.998874  
1 1 1 30  1  14 o 17.00598 0.7064847 2.878479       0.2394060 2.643986       0.3224825 3.166399       0.3573363 -1.531582      1.412969  
1 1 1 30  1  15 o 56.32579 0.7132790 31.72437       0.8022900 33.38808       1.175013  30.27132       1.098106  2.756546       1.426558  
1 1 1 30  1  16 o 52.97191 0.6886306 28.10687       0.7290056 27.48080       1.007555  28.79472       1.056096  -1.233650      1.377261  
1 1 1 30  1  17 o 7.362200 1.592546  0.4535021      0.2386385 0.8301800      0.4591144 0.3140619      0.2793380 3.082407       3.185091  
1 1 1 30  1  18 o 36.58317 0.7681049 13.37870       0.5500848 13.18096       0.7063352 13.68348       0.8769252 -0.6589508     1.536210  
1 1 1 30  1  19 o 59.52621 0.7406873 35.49893       0.8808612 34.37261       1.211964  36.76012       1.282477  -1.993778      1.481375  
1 1 1 30  1  20 o 29.02132 0.7749290 8.473234       0.4402517 8.549255       0.5686204 8.359461       0.6956260 0.3487034      1.549858  
1 1 1 30  1  21 o 29.19188 0.6984697 8.550450       0.3920538 8.543536       0.6509134 8.554386       0.4911356 -0.4424667E-01 1.396939  
1 1 1 30  1  22 o 37.29399 0.6081879 13.91682       0.4531673 14.59763       0.6591219 13.30651       0.6240648 1.725704       1.216376  
1 1 1 30  1  23 o 17.69455 0.6908135 3.144019       0.2440938 3.354521       0.3459150 2.935246       0.3444909 1.184515       1.381627  
1 1 1 30  1  24 o 20.86251 0.6542911 4.362684       0.2726848 4.308194       0.3756425 4.423382       0.3964689 -0.2726631     1.308582  
1 1 1 30  2  0  o 37.64899 0.5912756 14.07610       0.4433921 15.67006       0.6631137 12.78718       0.5962972 3.823689       1.182551  
1 1 1 30  2  1  o 23.51755 0.5835968 5.537501       0.2744814 5.614905       0.3890998 5.460828       0.3872572 0.3274384      1.167194  
1 1 1 30  2  2  o 52.60690 0.6803300 27.69877       0.7154329 28.45767       1.032245  26.99723       0.9924765 1.384495       1.360660  
1 1 1 30  2  3  o 29.47539 0.5690509 8.698679       0.3354593 8.723013       0.4746769 8.674400       0.4741456 0.8242226E-01  1.138102  
1 1 1 30  2  4  o 12.12583 0.8611972 1.475851       0.2070876 1.484772       0.2759805 1.464356       0.3132862 0.8853722E-01  1.722394  
1 1 1 30  2  5  o 19.52134 0.8134190 3.822891       0.3173169 3.998080       0.4484199 3.647180       0.4490886 0.8988342      1.626838  
1 1 1 30  2  6  o 23.36873 0.7647284 5.470428       0.3571468 5.776549       0.5114565 5.179107       0.4989397 1.276939       1.529457  
1 1 1 30  2  7  f 21.70099 0.5964170 4.716228       0.2588239 4.716272       0.3631521 4.716182       0.3689821 0.7152557E-03  1.192834  
1 1 1 30  2  8  o 32.50094 0.5729181 10.53230       0.3715923 9.858873       0.5058870 11.32139       0.5476112 -2.246449      1.145836  
1 1 1 30  2  9  o 41.94024 0.6104680 17.54093       0.5109341 18.91044       0.7527398 16.37090       0.6957592 3.022320       1.220936  
1 1 1 30  2  10 o 28.06399 0.5806541 7.884764       0.3257818 8.203074       0.4654037 7.578940       0.4561845 1.111126       1.161308  
1 1 1 30  2  11 o 26.50366 0.5893656 6.985975       0.3112885 6.375586       0.4200682 7.729432       0.4636008 -2.549692      1.178731  
1 1 1 30  2  12 o 36.96271 0.5907505 13.68443       0.4365188 13.63094       0.6077384 13.74144       0.6273922 -0.1474304     1.181501  
1 1 1 30  2  13 o 36.26721 0.5870945 13.06302       0.4239002 11.98676       0.5675473 14.42096       0.6375031 -3.348671      1.174189  
1 1 1 30  2  14 o 40.62170 0.6078131 16.53145       0.4937717 16.81248       0.7005631 16.25402       0.6960561 0.6869049      1.215626  
1 1 1 30  2  15 o 37.07709 0.5942791 13.70172       0.4393144 12.90162       0.5933560 14.67246       0.6535680 -2.381363      1.188558  
1 1 1 30  2  16 o 18.63381 1.056295  3.493021       0.3934143 3.327638       0.5518621 3.663923       0.5609941 -0.9004517     2.112589  
1 1 1 30  2  17 o 21.33469 0.8136657 4.395252       0.3089362 4.202613       0.3585154 4.950853       0.6088595 -1.713327      1.627331  
1 1 1 30  2  18 o 14.72785 0.8154652 2.136473       0.2363107 1.963267       0.3033487 2.403828       0.3768819 -1.482677      1.630930  
1 1 1 30  2  19 o 36.21641 0.5944738 13.14249       0.4305365 13.32160       0.6150616 12.97041       0.6028630 0.4832344      1.188948  
1 1 1 30  2  20 o 49.78616 0.6682998 24.80777       0.6646989 23.83936       0.9140021 25.89490       0.9684079 -2.056259      1.336600  
1 1 1 30  2  21 f 28.88128 0.7220679 8.518389       0.3961057 8.876328       0.4945749 7.878048       0.6615034 1.755865       1.444136  
1 1 1 30  2  22 o 40.83744 0.7349416 16.67365       0.5737556 16.96877       0.9694465 16.51454       0.7118054 0.5091896      1.469883  
1 1 1 30  2  23 o 17.01663 0.7179787 2.924088       0.2411765 3.505283       0.3440498 2.362567       0.3381763 3.356621       1.435957  
1 1 1 30  2  24 o 31.90232 0.7305918 10.39750       0.4481407 10.93931       0.5695748 9.517050       0.7260752 2.257341       1.461184  
1 1 1 30  3  0  o 49.24018 0.6551220 24.28197       0.6451209 24.17489       0.9061543 24.39202       0.9186513 -0.2194405     1.310244  
1 1 1 30  3  1  o 28.85943 0.5650010 8.278798       0.3247111 9.423079       0.4809203 7.320096       0.4401986 3.640499       1.130002  
1 1 1 30  3  2  o 26.07164 0.5593857 6.805720       0.2916648 6.859263       0.4113727 6.751599       0.4135890 0.2066441      1.118771  
1 1 1 30  3  3  o 42.24157 0.6067510 17.83861       0.5121549 18.63291       0.7432259 17.12037       0.7067435 1.787346       1.213502  
1 1 1 30  3  4  o 16.14962 0.6388063 2.607970       0.2061275 2.457072       0.2855801 2.772083       0.2978217 -0.9742212     1.277613  
1 1 1 30  3  5  o 53.84950 0.6856412 28.93745       0.7367191 30.72275       1.088143  27.42649       1.001053  3.052326       1.371282  
1 1 1 30  3  6  o 41.28911 0.7131268 16.90395       0.5579407 16.53654       0.6833245 17.63882       0.9664113 -1.306168      1.426254  
1 1 1 30  3  7  o 24.92019 0.7325875 6.217714       0.3647569 6.093863       0.5027451 6.355370       0.5300235 -0.5217724     1.465175  
1 1 1 30  3  8  o 35.92776 0.6827546 13.14077       0.4787585 11.86565       0.7430233 14.04598       0.6260405 -3.045925      1.365509  
1 1 1 30  3  9  o 28.39690 0.5681981 8.047481       0.3220679 7.641688       0.4389753 8.520573       0.4739820 -1.544449      1.136396  
1 1 1 30  3  10 o 54.04125 0.6896246 28.93937       0.7396753 26.75093       0.9754292 31.90057       1.134651  -4.746540      1.379249  
1 1 1 30  3  11 f 37.58048 0.5852072 14.14188       0.4396552 14.74158       0.6275735 13.56387       0.6161175 1.565750       1.170414  
1 1 1 30  3  12 o 15.75967 0.6698078 2.442909       0.2091449 2.106845       0.2750622 2.903470       0.3220053 -2.521878      1.339616  
1 1 1 30  3  13 o 26.55907 0.5691779 7.074074       0.3019502 7.392549       0.4236796 6.745348       0.4304450 1.219095       1.138356  
1 1 1 30  3  14 f 25.42484 0.8073830 6.869214       0.3682944 5.576150       0.6567698 7.462347       0.4448140 -3.738663      1.614766  
1 1 1 30  3  15 f 13.05198 1.123972  1.510549       0.2699410 1.231681       0.3151300 2.279143       0.5231641 -3.967844      2.247944  
1 1 1 30  3  16 o 53.49390 0.6919724 28.68979       0.7402249 28.51676       1.037030  28.86953       1.056926  -0.3269920     1.383945  
1 1 1 30  3  17 o 23.29756 0.5986441 5.450392       0.2780244 5.603147       0.3813446 5.277070       0.4062034 0.7028160      1.197288  
1 1 1 30  3  18 o 20.59789 0.6187451 4.233363       0.2539247 4.043584       0.3416804 4.467476       0.3794969 -1.023802      1.237490  
1 1 1 30  3  19 o 26.26496 0.5904289 6.890327       0.3093478 6.610791       0.4196424 7.223032       0.4578134 -1.160526      1.180858  
1 1 1 30  3  20 o 13.42706 0.7717069 1.817959       0.2061736 1.918882       0.2829189 1.703668       0.3010741 0.8045626      1.543414  
1 1 1 30  3  21 o 31.32428 0.5820330 9.834266       0.3646329 9.808704       0.5145368 9.860051       0.5168084 -0.8164597E-01 1.164066  
1 1 1 30  3  22 o 20.01444 0.7597660 4.007253       0.2889530 3.974448       0.3561291 4.070458       0.4943333 -0.2136536     1.519532  
1 1 1 30  3  23 o 9.250448 1.285350  0.8924258      0.2290419 0.9554205      0.3333050 0.8360621      0.3152749 0.6354313      2.570701  
1 1 1 30  3  24 o 16.81302 1.397988  0.000000       0.000000  ?              ?         2.846697       0.4700882 ?              ?         
1 1 1 30  4  0  f 49.01127 0.6543794 24.01972       0.6407326 23.26749       0.8812763 24.86324       0.9332185 -1.623535      1.308759  
1 1 1 30  4  1  o 51.38124 0.6684643 26.44458       0.6869155 26.45195       0.9683293 26.43712       0.9745915 0.1498795E-01  1.336929  
1 1 1 30  4  2  o 36.85312 0.5808319 13.56704       0.4276055 14.38777       0.6221989 12.83244       0.5886461 2.107548       1.161664  
1 1 1 30  4  3  o 12.91060 0.7233678 1.681312       0.1855360 1.828649       0.2562147 1.518869       0.2690291 1.200965       1.446736  
1 1 1 30  4  4  o 53.40079 0.6823927 28.50328       0.7278646 29.85249       1.062905  27.31192       0.9987959 2.372765       1.364785  
1 1 1 30  4  5  o 22.67976 0.5648118 5.155450       0.2559334 5.361626       0.3593277 4.943157       0.3646193 0.9229832      1.129624  
1 1 1 30  4  6  o 16.38623 0.6290682 2.681989       0.2057666 2.462799       0.2834827 2.926067       0.2991444 -1.412157      1.258136  
1 1 1 30  4  7  o 25.19116 0.5492325 6.315509       0.2754597 5.975819       0.3689100 6.743549       0.4141149 -1.520174      1.098465  
1 1 1 30  4  8  o 15.14322 0.7065703 2.280015       0.2052509 2.235860       0.2551123 2.361052       0.3456080 -0.4038696     1.413141  
1 1 1 30  4  9  f 45.40607 0.8328848 20.57871       0.7536815 19.53366       1.015304  21.86137       1.124824  -2.548786      1.665770  
1 1 1 30  4  10 o 37.89214 0.6150767 14.40287       0.4653470 13.99151       0.6719707 14.78193       0.6450543 -1.045780      1.230153  
1 1 1 30  4  11 o 48.31809 0.6494419 23.38232       0.6272797 23.01469       0.8708398 23.77876       0.9043223 -0.7868538     1.298884  
1 1 1 30  4  12 f 39.79670 0.7764294 15.61182       0.5606163 16.53527       1.055815  15.24924       0.6615842 1.562733       1.552859  
1 1 1 30  4  13 o 11.71624 1.650320  1.428085       0.3786911 1.739158       0.5385195 1.123781       0.5326293 2.804585       3.300640  
1 1 1 30  4  14 o 24.91230 0.5728906 6.237983       0.2844192 6.726516       0.3978014 5.727075       0.4068087 2.006861       1.145781  
1 1 1 30  4  15 f 50.41275 0.6672425 25.46658       0.6725549 25.09087       0.9375570 25.86488       0.9653233 -0.7640839     1.334485  
1 1 1 30  4  16 o 17.82072 0.6460497 3.195901       0.2289888 3.327167       0.3119313 3.042486       0.3372236 0.8019810      1.292099  
1 1 1 30  4  17 f 12.62758 0.7776082 1.586201       0.1946040 1.502940       0.2558053 1.700587       0.2998316 -0.7754869     1.555216  
1 1 1 30  4  18 o 43.05767 0.6247415 18.56511       0.5376940 19.38476       0.7745905 17.80284       0.7469888 1.833130       1.249483  
1 1 1 30  4  19 o 28.96707 0.5799501 8.403445       0.3355863 8.309743       0.4622544 8.507863       0.4879704 -0.3386879     1.159900  
1 1 1 30  4  20 o 19.51402 0.6515200 3.853156       0.2518009 4.166805       0.3426834 3.485079       0.3712272 1.750978       1.303040  
1 1 1 30  4  21 o 24.05136 0.7457686 5.824944       0.3562896 5.978524       0.4804415 5.637272       0.5310971 0.7185307      1.491537  
1 1 1 30  4  22 f 4.380121 1.228563  0.7364675E-01  0.1715573 0.2135933      0.2252364 -0.1197327     0.2647662 1.205367       2.457126  
1 1 1 30  4  23 o 21.08958 0.6769931 4.377120       0.2805894 4.038543       0.3593035 4.906347       0.4492137 -2.042517      1.353986  
1 1 1 30  4  24 o 29.45627 1.163765  0.000000       0.000000  ?              ?         8.719831       0.6856036 ?              ?         
1 1 1 30  5  0  o 71.19605 0.8314033 50.79668       1.183381  50.03915       1.646034  51.60707       1.702502  -1.094910      1.662807  
1 1 1 30  5  1  f 36.31228 0.5755665 13.13535       0.4169340 14.35903       0.6149700 12.09443       0.5671909 3.114525       1.151133  
1 1 1 30  5  2  o 49.67982 0.6535249 24.68380       0.6486455 23.95117       0.8925691 25.50374       0.9442582 -1.557995      1.307050  
1 1 1 30  5  3  o 28.73829 0.5483518 8.265132       0.3148187 8.819182       0.4503402 7.735581       0.4402725 1.884535       1.096704  
1 1 1 30  5  4  o 21.93700 0.5525426 4.811174       0.2422195 4.650769       0.3342826 4.988492       0.3514630 -0.7684269     1.105085  
1 1 1 30  5  5  o 56.02436 0.7001544 31.45068       0.7844995 31.64279       1.108793  31.25811       1.110108  0.3434448      1.400309  
1 1 1 30  5  6  o 32.20953 0.5485675 10.36192       0.3527786 9.973255       0.4820624 10.81008       0.5176445 -1.296179      1.097135  
1 1 1 30  5  7  o 48.99389 0.6481758 24.04693       0.6350778 24.10853       0.8929030 23.98387       0.9034615 0.1282310      1.296352  
1 1 1 30  5  8  o 18.93507 0.5613322 3.595937       0.2117630 3.659812       0.2886092 3.521444       0.3116753 0.3673687      1.122664  
1 1 1 30  5  9  o 44.43930 0.6200637 19.76460       0.5505851 19.36832       0.7594241 20.20371       0.7994031 -0.9358597     1.240127  
1 1 1 30  5  10 o 21.95085 0.7889000 4.783392       0.3322733 5.007311       0.5605027 4.662063       0.4125876 0.7663479      1.577800  
1 1 1 30  5  11 o 33.37429 1.383720  0.000000       0.000000  ?              ?         11.19155       0.9236137 ?              ?         
1 1 1 30  5  12 o 38.34908 0.8358555 14.88229       0.6150310 15.21559       0.7728215 14.30658       1.015697  1.220539       1.671711  
1 1 1 30  5  13 o 24.92609 0.5549909 6.227838       0.2763253 6.337429       0.3833120 6.109266       0.3987085 0.4592133      1.109982  
1 1 1 30  5  14 o 30.09362 0.5576068 9.065372       0.3353057 8.940518       0.4631192 9.202926       0.4861030 -0.4335728     1.115214  
1 1 1 30  5  15 f 19.01361 0.6046039 3.656360       0.2276096 4.143710       0.3167787 3.136246       0.3272541 2.650562       1.209208  
1 1 1 30  5  16 o 16.56218 0.6381110 2.765325       0.2096436 2.898073       0.2832819 2.604592       0.3117151 0.8896236      1.276222  
1 1 1 30  5  17 o 22.80313 0.5821661 5.235839       0.2639910 5.811873       0.3705385 4.642051       0.3762054 2.565756       1.164332  
1 1 1 30  5  18 o 33.37123 0.7274981 11.18186       0.4851762 11.49650       0.6796826 10.85497       0.6927907 0.9633217      1.454996  
1 1 1 30  5  19 o 6.180571 1.261392  0.3731529      0.1634071 0.2838922      0.2094166 0.5121006      0.2612803 -1.624110      2.522785  
1 1 1 30  5  20 o 13.24665 0.7598231 1.735936       0.1997646 1.552727       0.2635649 1.983262       0.3062315 -1.617519      1.519646  
1 1 1 30  5  21 o 12.44830 0.8226081 1.580013       0.2010679 1.710184       0.2674525 1.410813       0.3049239 1.210036       1.645216  
1 1 1 30  5  22 o 27.12640 0.5886093 7.370640       0.3189991 7.261272       0.4397551 7.492109       0.4634422 -0.4220371     1.177219  
1 1 1 30  5  23 o 17.53949 1.886295  3.666498       0.5590827 4.566509       0.6983930 2.060604       0.9328989 7.458533       3.772590  
1 1 1 30  6  0  o 45.95621 0.6276189 21.11520       0.5763295 22.02877       0.8371343 20.29205       0.7946315 1.885944       1.255238  
1 1 1 30  6  1  o 22.18537 0.5323027 4.930974       0.2359529 5.172948       0.3331902 4.687549       0.3341875 1.094032       1.064605  
1 1 1 30  6  2  o 8.480208 0.7658047 0.6977661      0.1276904 0.5948355      0.1634809 0.8588108      0.2044879 -1.552107      1.531609  
1 1 1 30  6  3  o 22.31387 0.5211011 4.967797       0.2319027 4.776226       0.3141731 5.197120       0.3437371 -0.9409637     1.042202  
1 1 1 30  6  4  o 59.05906 0.7254890 34.93670       0.8567081 35.78918       1.228597  34.12990       1.195229  1.401268       1.450978  
1 1 1 30  6  5  o 30.66127 0.5378730 9.396470       0.3293208 10.17132       0.4756091 8.682820       0.4564418 2.425819       1.075746  
1 1 1 30  6  6  o 67.22232 0.7964476 45.30558       1.070687  45.14987       1.503119  45.46595       1.525489  -0.2324753     1.592895  
1 1 1 30  6  7  o 53.05133 0.6768649 28.20018       0.7181634 28.36957       1.016075  28.03109       1.015199  0.3189201      1.353730  
1 1 1 30  6  8  o 18.77160 0.6088732 3.500917       0.2247755 3.683483       0.3554372 3.379247       0.2901644 0.8039436      1.217746  
1 1 1 30  6  9  o 19.42514 1.140350  3.812640       0.4409650 4.177389       0.6181573 3.434709       0.6292273 1.913795       2.280701  
1 1 1 30  6  10 o 54.41144 0.8902943 29.49140       0.8782663 29.17960       1.039054  30.27157       1.643581  -0.9108467     1.780589  
1 1 1 30  6  11 o 39.50690 0.6723525 15.79053       0.5174676 16.34024       0.6672246 14.96087       0.8197073 1.763622       1.344705  
1 1 1 30  6  12 o 32.97171 0.6805103 10.89883       0.4486594 11.04865       0.6311163 10.74575       0.6379389 0.4601669      1.361021  
1 1 1 30  6  13 o 38.24053 0.5824544 14.64740       0.4453896 15.03660       0.6334850 14.26695       0.6263281 1.005550       1.164909  
1 1 1 30  6  14 o 20.88433 0.5495644 4.385371       0.2286365 4.636443       0.3158658 4.109043       0.3313729 1.264318       1.099129  
1 1 1 30  6  15 o 42.36434 0.7830210 18.00563       0.6633395 18.45834       0.9450809 17.56605       0.9312789 1.050961       1.566042  
1 1 1 30  6  16 o 20.81824 0.5595402 4.310005       0.2320909 3.958881       0.3123704 4.742724       0.3467706 -1.878595      1.119080  
1 1 1 30  6  17 o 39.68626 0.6007023 15.78032       0.4765733 15.61164       0.6625432 15.96117       0.6860228 -0.4372177     1.201405  
1 1 1 30  6  18 o 9.673604 0.8435141 0.8918799      0.1585213 0.6652352      0.2013003 1.261880       0.2572011 -3.073563      1.687028  
1 1 1 30  6  19 o 12.41900 1.396268  1.523951       0.2776918 1.476777       0.3121822 1.702752       0.6077736 -0.5980263     2.792537  
1 1 1 30  6  20 f 12.50270 0.7489850 1.545655       0.1853083 1.417490       0.2416811 1.728494       0.2886651 -1.235307      1.497970  
1 1 1 30  6  21 o 42.41890 0.6254494 18.04021       0.5305442 18.46264       0.7558427 17.62994       0.7448829 0.9797974      1.250899  
1 1 1 30  6  22 o 30.97403 1.020072  9.661761       0.6318507 9.730069       0.9011763 9.595711       0.8861566 0.2131519      2.040144  
1 1 1 30  6  23 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  7  0  o 53.74876 1.048622  28.95029       1.125992  30.38962       1.639706  27.66589       1.548954  2.520790       2.097245  
1 1 1 30  7  1  o 41.19872 0.9587833 17.00338       0.7892395 18.03483       1.142545  16.06201       1.091510  2.387531       1.917567  
1 1 1 30  7  2  o 30.89261 0.9588493 9.579833       0.5922530 9.865060       0.8387763 9.296238       0.8363732 0.9203186      1.917699  
1 1 1 30  7  3  o 38.47717 0.9508654 14.85683       0.7315227 15.36236       1.041919  14.36540       1.027294  1.293503       1.901731  
1 1 1 30  7  4  f 22.44404 1.070730  5.064352       0.4798333 5.119477       0.6618882 5.003292       0.6966164 0.2642670      2.141461  
1 1 1 30  7  5  o 15.26622 1.345845  2.370546       0.4067103 2.680694       0.5651031 2.037256       0.5858060 2.111457       2.691689  
1 1 1 30  7  6  f 20.85685 1.137804  4.400126       0.4717847 4.758344       0.6519305 4.006254       0.6836045 1.808445       2.275609  
1 1 1 30  7  7  o 42.49314 0.9834238 18.06937       0.8334567 17.29056       1.128965  19.00227       1.235613  -1.997204      1.966848  
1 1 1 30  7  8  o 12.02148 1.742210  1.540849       0.4138774 2.211598       0.5850725 0.8690060      0.5855498 5.561092       3.484421  
1 1 1 30  7  9  o 54.29216 1.062422  29.62620       1.153070  29.17734       1.601540  30.10930       1.661486  -0.8471184     2.124843  
1 1 1 30  7  10 f 27.43613 1.011535  7.575552       0.5538967 8.144803       0.7839049 7.007974       0.7827526 2.071569       2.023070  
1 1 1 30  7  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  7  12 o 13.03159 3.202277  0.000000       0.000000  ?              ?         1.811039       0.8297677 ?              ?         
1 1 1 30  7  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  7  14 f 27.02472 1.502617  0.000000       0.000000  ?              ?         7.349703       0.8121564 ?              ?         
1 1 1 30  7  15 o 35.02183 0.9994469 12.33012       0.6998954 12.65213       1.001597  12.02285       0.9784133 0.8937073      1.998894  
1 1 1 30  7  16 o 23.52369 1.095712  5.568224       0.5143648 5.478071       0.7019743 5.672747       0.7558538 -0.4008045     2.191424  
1 1 1 30  7  17 f 16.77794 0.5255605 2.834128       0.1754486 3.032823       0.2421665 2.614610       0.2545392 1.247751       1.051121  
1 1 1 30  7  18 o 38.82958 0.5904402 15.11084       0.4585098 15.13676       0.6456462 15.08447       0.6512517 0.6807327E-01  1.180880  
1 1 1 30  7  19 o 8.452282 0.7948304 0.7323510      0.1302718 0.7897077      0.1690419 0.6484706      0.2044246 0.8419533      1.589661  
1 1 1 30  7  20 o 6.315211 1.657879  0.3395992      0.2399775 0.2364352E-01  0.6043908 0.3987338      0.2614720 0.1063356      3.315758  
1 1 1 30  7  21 o 30.55252 1.028330  9.404538       0.6277028 8.850212       0.8820192 9.973393       0.8935037 -1.835201      2.056660  
1 1 1 30  7  22 o 19.80591 1.829879  3.968918       0.7248481 3.968918       0.7248481 ?              ?         ?              ?         
1 1 1 30  8  0  o 37.09587 0.9780812 13.73336       0.7234601 12.76331       0.9782618 14.90430       1.074792  -2.872570      1.956162  
1 1 1 30  8  1  f 47.05526 1.018708  22.22859       0.9585381 22.82058       1.367562  21.65690       1.343903  1.233047       2.037417  
1 1 1 30  8  2  o 46.51078 1.005597  21.68267       0.9341888 20.98528       1.281787  22.47280       1.364360  -1.587029      2.011194  
1 1 1 30  8  3  f 38.20037 0.9712280 14.62815       0.7412859 14.19032       1.020931  15.11637       1.078075  -1.203972      1.942456  
1 1 1 30  8  4  o 37.46029 0.9778020 14.06988       0.7317660 13.70676       1.006848  14.47644       1.065377  -1.018852      1.955604  
1 1 1 30  8  5  o 41.20648 0.9981988 16.91160       0.8181852 15.75957       1.090002  18.39847       1.238312  -3.179264      1.996398  
1 1 1 30  8  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  8  7  o 37.36284 1.986617  0.000000       0.000000  ?              ?         14.09287       1.484513  ?              ?         
1 1 1 30  8  8  o 53.53229 1.072365  28.80389       1.147422  28.36958       1.590489  29.27526       1.656952  -0.8334198     2.144729  
1 1 1 30  8  9  o 17.10782 1.343868  2.965639       0.4577027 3.138308       0.6305997 2.773398       0.6653785 1.074711       2.687737  
1 1 1 30  8  10 o 39.98113 0.9909522 16.06999       0.7920564 16.49532       1.115476  15.63747       1.124857  1.074474       1.981904  
1 1 1 30  8  11 o 16.91858 1.370535  2.871853       0.4622431 2.603472       0.6269816 3.191434       0.6841778 -1.723394      2.741071  
1 1 1 30  8  12 o 35.70655 0.9957607 12.78779       0.7097844 12.35789       0.9689209 13.28565       1.042709  -1.285175      1.991521  
1 1 1 30  8  13 o 33.97430 1.026427  11.54444       0.6951711 10.80605       0.9379805 12.44431       1.035475  -2.391201      2.052855  
1 1 1 30  8  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  8  15 o 30.53085 1.517912  0.000000       0.000000  ?              ?         9.386879       0.9268630 ?              ?         
1 1 1 30  8  16 o 15.20901 1.625793  2.420357       0.4723734 2.918831       0.6617048 1.902335       0.6745542 3.548567       3.251585  
1 1 1 30  8  17 o 30.97124 1.056572  9.636995       0.6535632 8.982186       0.9019826 10.36080       0.9483128 -2.214798      2.113144  
1 1 1 30  8  18 o 32.63950 1.028675  10.72096       0.6713228 11.03926       0.9620371 10.41886       0.9372362 0.9444962      2.057350  
1 1 1 30  8  19 o 39.49326 1.014085  15.69401       0.8005937 16.15281       1.154624  15.26918       1.111053  1.107922       2.028170  
1 1 1 30  8  20 o 12.74118 1.819083  1.723562       0.4546432 1.106494       0.6378049 2.361002       0.6482475 -5.005017      3.638166  
1 1 1 30  8  21 o 17.55088 1.465201  3.124806       0.5139615 3.159502       0.7423265 3.092859       0.7123054 0.1790981      2.930403  
1 1 1 30  8  22 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  9  0  o 18.10588 1.318092  3.301597       0.4770207 3.152276       0.6707339 3.454419       0.6785523 -0.8328819     2.636184  
1 1 1 30  9  1  o 57.38394 1.112544  32.93653       1.272572  31.23028       1.716334  35.01979       1.896499  -3.272579      2.225087  
1 1 1 30  9  2  o 20.95153 1.193740  4.436825       0.4975750 4.874112       0.6959529 3.979571       0.7116649 2.137527       2.387479  
1 1 1 30  9  3  f 24.59081 1.084499  6.063294       0.5327484 5.765785       0.7326424 6.397121       0.7760719 -1.276596      2.168998  
1 1 1 30  9  4  o 52.92373 1.070360  28.15009       1.132855  28.66405       1.608459  27.64419       1.595813  0.9613876      2.140720  
1 1 1 30  9  5  o 18.82699 1.318682  3.606212       0.4917283 4.048603       0.6819944 3.127220       0.7096472 2.452948       2.637364  
1 1 1 30  9  6  o 51.07761 1.062371  26.23550       1.085063  26.37925       1.522304  26.08704       1.547018  0.2905807      2.124741  
1 1 1 30  9  7  o 35.62943 1.009976  12.76503       0.7189597 13.47249       1.019338  12.06467       1.014207  1.974731       2.019951  
1 1 1 30  9  8  o 35.80246 1.004381  12.72739       0.7148279 11.34071       0.9516365 14.52289       1.082869  -4.420830      2.008761  
1 1 1 30  9  9  o 21.04409 1.210044  4.439872       0.5078500 4.019030       0.6936532 4.926068       0.7455706 -2.143957      2.420088  
1 1 1 30  9  10 o 22.45039 1.166754  5.043118       0.5221971 4.597319       0.7072790 5.577343       0.7742536 -2.168428      2.333508  
1 1 1 30  9  11 o 29.80308 1.060627  8.931339       0.6320150 8.744034       0.8809084 9.130028       0.9072835 -0.6422539     2.121254  
1 1 1 30  9  12 o 31.25661 1.042483  9.827175       0.6507891 9.790980       0.8963507 9.867525       0.9463969 -0.1121216     2.084965  
1 1 1 30  9  13 o 24.94355 1.140819  6.290901       0.5665410 6.915041       0.7965006 5.651778       0.8060039 2.534410       2.281637  
1 1 1 30  9  14 o 40.06149 1.029975  16.14003       0.8244724 17.15064       1.182392  15.18365       1.150233  2.447887       2.059949  
1 1 1 30  9  15 o 21.92026 2.765701  4.921106       1.212498  4.921106       1.212498  ?              ?         ?              ?         
1 1 1 30  9  16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  9  17 o 26.45663 1.114641  7.030482       0.5887339 6.565379       0.8055421 7.563774       0.8625715 -1.872320      2.229281  
1 1 1 30  9  18 o 27.39545 1.129204  7.575214       0.6182750 7.783918       0.8670384 7.359297       0.8818969 0.7790108      2.258409  
1 1 1 30  9  19 f 28.00508 1.119862  7.911278       0.6269568 7.971663       0.9016526 7.854752       0.8723738 0.2004528      2.239724  
1 1 1 30  9  20 o 40.04347 1.043270  16.15546       0.8353653 15.74724       1.178050  16.56834       1.184749  -1.023563      2.086540  
1 1 1 30  9  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  10 0  o 54.54407 1.096625  29.89039       1.195866  29.58078       1.665774  30.21966       1.717848  -0.5772629     2.193250  
1 1 1 30  10 1  o 31.84659 1.029675  10.17877       0.6549568 10.02475       0.9003573 10.35187       0.9545107 -0.5052261     2.059349  
1 1 1 30  10 2  o 19.72387 1.321447  3.888622       0.5102237 2.887613       0.6884493 5.108418       0.7599710 -5.615318      2.642895  
1 1 1 30  10 3  o 27.96809 1.083367  7.868249       0.6056086 7.999620       0.8460268 7.730191       0.8672888 0.4854126      2.166734  
1 1 1 30  10 4  o 7.239762 1.848680  0.1485476E-01  0.4220647 -0.7593238     0.5624498 1.012684       0.6385447 -5.333200      3.697360  
1 1 1 30  10 5  o 39.31558 1.015628  15.54610       0.7980103 15.88815       1.115528  15.18760       1.142054  0.8956413      2.031255  
1 1 1 30  10 6  o 29.48895 1.066218  8.785205       0.6259186 9.450605       0.8687007 8.066795       0.9026396 2.352669       2.132435  
1 1 1 30  10 7  o 16.31748 1.564677  2.815990       0.4764399 3.615895       0.6638148 1.966142       0.6842241 5.251175       3.129354  
1 1 1 30  10 8  f 46.53140 1.041677  21.70570       0.9679477 23.28192       1.412211  20.30909       1.329316  3.179043       2.083354  
1 1 1 30  10 9  o 19.77640 1.294282  3.909465       0.5096080 3.526540       0.6840371 4.387096       0.7639566 -2.156725      2.588563  
1 1 1 30  10 10 o 24.61794 1.151054  6.052287       0.5632855 5.662276       0.7482184 6.562499       0.8557860 -1.804623      2.302108  
1 1 1 30  10 11 o 16.49635 1.491259  2.783912       0.4862733 3.016065       0.6586149 2.505697       0.7210003 1.565220       2.982517  
1 1 1 30  10 12 o 18.54593 1.396548  3.440331       0.5135236 2.865481       0.6912158 4.148462       0.7671730 -3.437693      2.793096  
1 1 1 30  10 13 o 26.44145 1.139082  7.034010       0.6016524 6.801453       0.8264754 7.296199       0.8775496 -0.9230499     2.278163  
1 1 1 30  10 14 o 13.70019 1.814574  1.913176       0.4807941 1.339307       0.6390616 2.661649       0.7298353 -4.969838      3.629149  
1 1 1 30  10 15 o 24.62591 1.184601  6.116375       0.5825382 6.581021       0.8325110 5.670609       0.8154216 1.844025       2.369201  
1 1 1 30  10 16 o 5.599741 2.569691  -0.4666921     0.6589996 -0.4666921     0.6589996 ?              ?         ?              ?         
1 1 1 30  10 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  10 18 o 41.26817 1.055915  17.13898       0.8708224 16.37922       1.204282  17.97162       1.260712  -1.914295      2.111829  
1 1 1 30  10 19 f 32.88455 1.069317  10.89844       0.7032444 10.79692       0.9884667 11.00250       1.000722  -0.3093834     2.138635  
1 1 1 30  10 20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  11 0  o 58.43039 1.145260  34.34418       1.338172  34.73366       1.884157  33.94776       1.900876  0.6755104      2.290520  
1 1 1 30  11 1  o 13.79072 1.779248  1.987627       0.4747852 2.364547       0.6655582 1.597063       0.6774964 3.006241       3.558496  
1 1 1 30  11 2  o 13.77318 1.761204  1.980087       0.4701293 2.238172       0.6500592 1.697077       0.6807272 2.205017       3.522407  
1 1 1 30  11 3  o 46.42902 1.061255  21.67904       0.9852917 21.86962       1.384526  21.48348       1.402473  0.4191513      2.122510  
1 1 1 30  11 4  o 11.21840 2.069582  1.323028       0.4688053 1.195568       0.6358979 1.474788       0.6938708 -1.139263      4.139165  
1 1 1 30  11 5  o 26.70938 1.132378  7.166657       0.6028312 7.030801       0.8160014 7.329893       0.8944538 -0.5442371     2.264756  
1 1 1 30  11 6  o 7.841357 2.085395  0.4335065      0.4520470 0.2157759      0.6180031 0.6840537      0.6629422 -1.697326      4.170790  
1 1 1 30  11 7  o 15.68154 1.551589  2.512226       0.4817578 2.722479       0.6560218 2.266113       0.7097641 1.470033       3.103179  
1 1 1 30  11 8  o 19.53635 1.331119  3.815325       0.5115682 2.941778       0.6896356 4.884115       0.7628212 -4.953117      2.662238  
1 1 1 30  11 9  o 29.02079 1.091492  8.476485       0.6332795 8.447147       0.8828460 8.507582       0.9089076 -0.9858322E-01 2.182984  
1 1 1 30  11 10 o 13.62613 1.784095  1.920223       0.4733021 1.577647       0.6528485 2.299766       0.6871701 -2.857619      3.568189  
1 1 1 30  11 11 o 14.71212 1.649043  2.178670       0.4825657 2.017920       0.6426657 2.386464       0.7306763 -1.223028      3.298085  
1 1 1 30  11 12 f 30.80965 1.110565  9.534348       0.6829334 9.109193       0.9302865 10.03128       1.005749  -1.478125      2.221131  
1 1 1 30  11 13 o 35.62680 1.072450  12.66051       0.7601729 11.56347       1.014124  14.06744       1.148458  -3.482048      2.144901  
1 1 1 30  11 14 o 32.36834 1.099262  10.52487       0.7105660 9.915140       0.9743730 11.21745       1.038471  -1.996126      2.198525  
1 1 1 30  11 15 o 19.41794 1.400382  3.809640       0.5432168 3.624921       0.7470458 4.016900       0.7913130 -0.9951458     2.800764  
1 1 1 30  11 16 o 39.26765 1.071507  15.50653       0.8401613 14.99127       1.149479  16.09751       1.231045  -1.387657      2.143015  
1 1 1 30  11 17 o 21.11200 2.046297  4.523792       0.8640283 4.523792       0.8640283 ?              ?         ?              ?         
1 1 1 30  11 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  11 19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  12 0  f 26.42400 1.692182  0.000000       0.000000  ?              ?         7.030803       0.8942844 ?              ?         
1 1 1 30  12 1  o 38.35371 1.062077  14.74576       0.8133913 13.91879       1.113445  15.69210       1.191095  -2.297359      2.124155  
1 1 1 30  12 2  o 9.801907 2.136260  0.9554930      0.4732970 1.304604       0.6826094 0.6322618      0.6568213 2.615594       4.272520  
1 1 1 30  12 3  o 38.67470 1.056501  15.04162       0.8167689 15.07325       1.137502  15.00796       1.173511  0.9111023E-01  2.113002  
1 1 1 30  12 4  o 19.90849 1.372615  3.999233       0.5463277 3.945068       0.7603426 4.057045       0.7855206 -0.2751141     2.745229  
1 1 1 30  12 5  o 13.68769 1.885096  1.954814       0.4955379 1.806772       0.6652513 2.139344       0.7427249 -1.167695      3.770192  
1 1 1 30  12 6  o 32.67804 1.083609  10.72268       0.7072304 10.35713       0.9697142 11.13806       1.033699  -1.182083      2.167217  
1 1 1 30  12 7  o 15.51965 1.731244  2.497000       0.5089371 1.747263       0.6977060 3.349566       0.7440152 -5.358644      3.462488  
1 1 1 30  12 8  o 32.30929 1.101638  10.50051       0.7111785 10.30910       0.9809509 10.71259       1.032548  -0.6131706     2.203277  
1 1 1 30  12 9  o 15.77633 1.627758  2.529341       0.5107832 2.201595       0.7141387 2.872618       0.7308647 -2.121258      3.255515  
1 1 1 30  12 10 o 41.38831 1.071769  17.26457       0.8861718 18.00517       1.244535  16.50289       1.262123  1.818790       2.143539  
1 1 1 30  12 11 o 41.04484 1.079470  16.95758       0.8852858 18.02891       1.269572  15.94363       1.235106  2.531963       2.158941  
1 1 1 30  12 12 o 46.02948 1.086006  21.31388       0.9983553 20.81797       1.369782  21.87584       1.458131  -1.127884      2.172012  
1 1 1 30  12 13 o 48.06116 1.100376  23.24938       1.056574  22.75803       1.455034  23.79746       1.536753  -1.061359      2.200752  
1 1 1 30  12 14 o 41.80846 1.106271  17.59114       0.9235314 17.15843       1.264508  18.08580       1.352021  -1.086742      2.212543  
1 1 1 30  12 15 o 50.76070 1.124321  25.98968       1.141300  26.50172       1.617801  25.48237       1.610309  1.002026       2.248643  
1 1 1 30  12 16 o 25.59296 1.270810  6.657375       0.6455485 7.591395       0.9130889 5.723950       0.9127979 3.648266       2.541620  
1 1 1 30  12 17 f 11.74233 2.218322  1.471062       0.5325565 1.643969       0.7665217 1.309716       0.7404520 1.273381       4.436643  
1 1 1 30  12 18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  13 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  13 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  13 2  o 14.30610 2.247102  2.368368       0.6155933 1.407217       1.065579  2.849838       0.7541785 -4.938736      4.494204  
1 1 1 30  13 3  o 23.08520 1.324005  5.412506       0.6066176 5.761703       0.8265291 5.004786       0.8931078 1.655188       2.648011  
1 1 1 30  13 4  f 17.03074 1.699443  2.962736       0.5369980 1.880337       0.7179040 4.337633       0.8091102 -7.386530      3.398886  
1 1 1 30  13 5  f 32.06313 1.127464  10.28507       0.7206312 9.495303       0.9731359 11.24404       1.072322  -2.705616      2.254927  
1 1 1 30  13 6  o 19.35279 1.450608  3.782085       0.5607890 3.538184       0.7758396 4.048933       0.8115134 -1.309368      2.901216  
1 1 1 30  13 7  o 29.59925 1.149602  8.824800       0.6804791 8.670803       0.9550197 8.983611       0.9698370 -0.5250092     2.299204  
1 1 1 30  13 8  o 34.34646 1.116546  11.90425       0.7654544 12.39828       1.064834  11.37599       1.101109  1.496464       2.233092  
1 1 1 30  13 9  o 36.02470 1.114314  13.02911       0.8008317 12.43395       1.086569  13.73687       1.184904  -1.784451      2.228627  
1 1 1 30  13 10 o 33.50964 1.125104  11.33160       0.7527884 11.58484       1.042399  11.05558       1.088290  0.8012276      2.250207  
1 1 1 30  13 11 o 9.335912 2.235191  0.8210234      0.5097153 1.114917       0.7151930 0.5176502      0.7266359 2.048441       4.470381  
1 1 1 30  13 12 o 17.45255 1.592270  3.116010       0.5474994 3.771862       0.7814271 2.483613       0.7673275 3.685727       3.184541  
1 1 1 30  13 13 o 27.24863 1.206103  7.399426       0.6528589 6.640992       0.8649234 8.403762       0.9953095 -3.197775      2.412205  
1 1 1 30  13 14 o 30.86607 1.189381  9.638459       0.7325131 10.34719       1.032883  8.921309       1.039004  2.311571       2.378763  
1 1 1 30  13 15 o 29.79009 1.190523  8.963243       0.7092709 9.105549       1.006845  8.823054       0.9993181 0.4718952      2.381045  
1 1 1 30  13 16 o 20.87438 1.435957  4.420813       0.5984741 4.444674       0.8240716 4.394182       0.8705827 0.1372280      2.871913  
1 1 1 30  13 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  14 0  f 27.35151 1.207330  7.536721       0.6603521 7.560376       0.9269240 7.512344       0.9409925 0.9084892E-01  2.414661  
1 1 1 30  14 1  o 59.50179 1.672112  35.66044       1.989873  35.66044       1.989873  ?              ?         ?              ?         
1 1 1 30  14 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  14 3  o 14.47933 4.494527  0.000000       0.000000  ?              ?         2.224434       1.436530  ?              ?         
1 1 1 30  14 4  o 28.31517 1.214155  8.087449       0.6870850 8.198836       0.9577792 7.969350       0.9862145 0.4120712      2.428309  
1 1 1 30  14 5  o 27.06972 1.259898  7.124069       0.6676780 5.490918       0.8617588 9.576781       1.056078  -7.498323      2.519796  
1 1 1 30  14 6  o 27.75184 1.255594  7.788834       0.6929511 7.946035       0.9371551 7.599209       1.029271  0.6484203      2.511189  
1 1 1 30  14 7  o 44.85304 1.125443  20.09960       1.004772  18.50771       1.343311  22.12133       1.513849  -3.986698      2.250886  
1 1 1 30  14 8  o 26.18759 1.264191  6.889283       0.6586372 6.580297       0.8797573 7.283319       0.9934847 -1.310120      2.528381  
1 1 1 30  14 9  o 13.06524 2.117950  1.820916       0.5453979 1.445345       0.7615575 2.216357       0.7814453 -2.835246      4.235900  
1 1 1 30  14 10 o 28.59510 1.214250  8.274762       0.6905793 9.335459       0.9817612 7.235967       0.9715718 3.668324       2.428499  
1 1 1 30  14 11 f 40.25456 1.110138  16.19018       0.8897040 18.33921       1.329133  14.44548       1.197587  4.802742       2.220276  
1 1 1 30  14 12 o 26.80605 1.251168  7.263970       0.6705291 7.345507       0.9389272 7.179105       0.9579000 0.3160858      2.502336  
1 1 1 30  14 13 o 20.63636 1.499938  4.385325       0.6101058 5.022866       0.8420437 3.680737       0.8852139 3.267954       2.999877  
1 1 1 30  14 14 o 11.79074 2.224109  1.486664       0.5341893 1.580726       0.7664784 1.397823       0.7448994 0.6959124      4.448218  
1 1 1 30  14 15 o 22.34604 1.994123  5.062610       0.8912151 5.062610       0.8912151 ?              ?         ?              ?         
1 1 1 30  14 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  15 0  f 77.02061 1.383385  59.88089       2.128959  58.61364       2.935901  61.28622       3.091747  -1.693306      2.766770  
1 1 1 30  15 1  o 55.39424 1.176807  30.73507       1.297663  29.10262       1.736756  32.79822       1.952472  -3.285603      2.353613  
1 1 1 30  15 2  f 73.16570 1.344464  54.07264       1.966657  53.90044       2.742616  54.25490       2.821613  -0.2210693     2.688928  
1 1 1 30  15 3  o 11.92481 4.183637  1.354285       1.237613  1.354285       1.237613  ?              ?         ?              ?         
1 1 1 30  15 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  15 5  o 20.71719 1.822352  4.500203       0.7213308 3.923207       1.164647  4.859282       0.9187634 -2.355095      3.644704  
1 1 1 30  15 6  o 35.18397 1.172013  12.39987       0.8204162 11.68799       1.094706  13.31204       1.239163  -2.270088      2.344025  
1 1 1 30  15 7  o 19.32876 1.546113  3.795104       0.5963826 3.848285       0.8202902 3.735473       0.8686068 0.3082771      3.092225  
1 1 1 30  15 8  f 34.31071 1.173169  11.87879       0.8046339 12.29606       1.136794  11.45986       1.139058  1.219162       2.346337  
1 1 1 30  15 9  o 16.10110 1.816154  2.701667       0.5656941 3.114005       0.7987091 2.286626       0.8013218 2.796584       3.632307  
1 1 1 30  15 10 o 41.92758 1.153469  17.66096       0.9640298 19.82024       1.410352  15.76733       1.320744  4.808716       2.306938  
1 1 1 30  15 11 o 13.70185 2.124377  2.010002       0.5658439 2.047588       0.7826799 1.968846       0.8190038 0.3058643      4.248754  
1 1 1 30  15 12 o 22.30391 1.473649  5.078832       0.6528620 5.358696       0.8894357 4.751901       0.9613214 1.386665       2.947298  
1 1 1 30  15 13 o 17.12331 1.737539  2.985655       0.5936059 2.891362       0.8070185 3.096812       0.8762152 -0.5705795     3.475079  
1 1 1 30  15 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  16 0  o 47.08072 1.156528  22.28255       1.087701  21.19969       1.495218  23.49968       1.585207  -2.421642      2.313056  
1 1 1 30  16 1  o 45.82560 1.150253  21.15595       1.053871  20.90952       1.468341  21.41777       1.513482  -0.5437775     2.300506  
1 1 1 30  16 2  f 22.52596 1.531627  5.036584       0.6722161 3.637991       0.8880703 6.913067       1.028665  -7.223637      3.063254  
1 1 1 30  16 3  o 68.68354 1.315829  47.68884       1.807072  47.61385       2.526887  47.76733       2.585284  -0.9457397E-01 2.631659  
1 1 1 30  16 4  o 8.639783 3.298908  0.5531521      0.7949319 0.5531521      0.7949319 ?              ?         ?              ?         
1 1 1 30  16 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  16 6  o 25.94514 2.095498  0.000000       0.000000  ?              ?         6.825280       1.087360  ?              ?         
1 1 1 30  16 7  o 31.43332 1.225584  9.978798       0.7702560 10.04870       1.078562  9.906035       1.100379  0.2330971      2.451168  
1 1 1 30  16 8  o 35.66997 1.179332  12.83829       0.8400076 12.76592       1.154525  12.91970       1.224457  -0.1959114     2.358664  
1 1 1 30  16 9  o 41.73935 1.188491  17.62326       0.9902806 18.71181       1.393391  16.51232       1.407654  2.639019       2.376982  
1 1 1 30  16 10 o 16.92266 1.971680  3.039947       0.6380510 3.411004       0.8612484 2.588534       0.9499375 2.734365       3.943360  
1 1 1 30  16 11 f 27.54874 1.349941  7.674790       0.7382175 8.999888       1.070159  6.471789       1.019664  4.571890       2.699882  
1 1 1 30  16 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  17 0  o 16.23949 1.857359  2.693741       0.6031338 2.762717       0.8621165 2.627620       0.8440891 0.4084644      3.714719  
1 1 1 30  17 1  o 33.50605 1.235707  11.19081       0.8224112 10.11139       1.088480  12.62677       1.255436  -3.707870      2.471415  
1 1 1 30  17 2  o 49.68363 1.197000  24.89281       1.187884  24.67090       1.635540  25.14054       1.728124  -0.4482040     2.394001  
1 1 1 30  17 3  o 24.23066 1.449825  5.979308       0.6980655 6.688098       0.9809979 5.252265       0.9935493 2.966877       2.899651  
1 1 1 30  17 4  o 59.68894 1.254999  35.98149       1.497833  37.10547       2.134580  34.89124       2.102299  1.845566       2.509997  
1 1 1 30  17 5  o 11.55180 2.409932  1.411201       0.6149780 1.821112       0.8434458 0.9459356      0.8985915 2.932627       4.819864  
1 1 1 30  17 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  17 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  17 8  o 42.04180 1.207387  17.78900       1.012860  16.89130       1.376230  18.84984       1.496062  -2.293163      2.414774  
1 1 1 30  17 9  o 29.03936 1.337155  8.580338       0.7685752 10.06893       1.093783  7.128484       1.080203  5.058474       2.674310  
1 1 1 30  17 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  18 0  o 19.71229 1.687011  3.979903       0.6561314 4.775896       0.9362049 3.211508       0.9198316 3.961901       3.374021  
1 1 1 30  18 1  o 22.23834 1.516217  4.948870       0.6666604 4.012418       0.8914378 6.137227       1.004204  -4.738302      3.032434  
1 1 1 30  18 2  o 35.42056 1.247596  12.66069       0.8824022 12.42155       1.209493  12.93282       1.290226  -0.6980629     2.495193  
1 1 1 30  18 3  o 43.40466 1.209633  18.98635       1.048383  18.32682       1.434130  19.74332       1.536425  -1.601780      2.419265  
1 1 1 30  18 4  o 20.47240 1.648604  4.222398       0.6710998 3.756647       0.8951573 4.820129       1.014087  -2.548277      3.297208  
1 1 1 30  18 5  o 18.46966 1.809132  3.493067       0.6640910 4.009189       0.9535565 3.006965       0.9254090 2.700420       3.618264  
1 1 1 30  18 6  o 12.80977 2.369622  1.772579       0.6331515 2.334833       0.8861915 1.186302       0.9049251 3.929835       4.739244  
1 1 1 30  18 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  18 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  19 0  o 26.67801 1.408288  7.254456       0.7472478 7.802806       1.032546  6.651452       1.082779  2.175331       2.816577  
1 1 1 30  19 1  o 12.42460 2.113214  1.417554       0.6368261 3.065998       0.9424882 0.3269475E-01  0.8638567 9.715126       4.226428  
1 1 1 30  19 2  o 17.64586 1.897711  3.192515       0.6689446 2.990426       0.9373783 3.402241       0.9549269 -1.158562      3.795421  
1 1 1 30  19 3  o 23.67609 1.550810  5.699799       0.7316846 5.708549       0.9941145 5.689455       1.080833  0.7324409E-01  3.101620  
1 1 1 30  19 4  o 47.71348 2.648765  23.31856       2.527636  23.31856       2.527636  ?              ?         ?              ?         
1 1 1 30  19 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  19 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  20 0  o 43.78329 1.823377  19.38998       1.596669  19.38998       1.596669  ?              ?         ?              ?         
1 1 1 30  20 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 30  20 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  0  0  o 52.96357 0.9724882 28.15074       1.028178  27.84786       1.430854  28.47411       1.478441  -0.000000      0.000000  
1 1 1 31  0  1  o 39.73598 0.8546695 15.85040       0.6775200 15.67118       0.9416660 16.04276       0.9755481 -0.000000      0.000000  
1 1 1 31  0  2  o 83.58719 1.343519  70.19026       2.242240  68.93913       3.110611  71.54352       3.235063  -0.000000      0.000000  
1 1 1 31  0  3  f 28.51713 0.8225077 8.121826       0.4656184 7.385273       0.6275129 9.024144       0.6945453 -0.000000      0.000000  
1 1 1 31  0  4  o 13.70255 1.131503  1.932267       0.3037227 1.629400       0.4208179 2.261577       0.4388040 -0.000000      0.000000  
1 1 1 31  0  5  o 10.44015 1.487292  1.210485       0.2748266 1.088649       0.3792985 1.345142       0.3987583 -0.000000      0.000000  
1 1 1 31  0  6  f 33.68911 0.8150394 11.39976       0.5475010 11.88835       0.7840794 10.93485       0.7648454 -0.000000      0.000000  
1 1 1 31  0  7  o 36.86172 0.8322158 13.63987       0.6118886 13.19790       0.8506030 14.11386       0.8808731 -0.000000      0.000000  
1 1 1 31  0  8  f 35.52386 0.8277243 12.67695       0.5865539 12.34745       0.8208182 13.02078       0.8384892 -0.000000      0.000000  
1 1 1 31  0  9  o 52.11526 0.9638886 27.22767       1.002083  26.18766       1.378947  28.39151       1.458736  -0.000000      0.000000  
1 1 1 31  0  10 o 29.99071 0.8195825 9.050112       0.4899759 8.998437       0.6950847 9.101151       0.6907962 -0.000000      0.000000  
1 1 1 31  0  11 f 20.04637 0.9330349 4.078566       0.3707092 4.125698       0.5300593 4.033441       0.5186507 -0.000000      0.000000  
1 1 1 31  0  12 o 12.25667 1.350180  1.603350       0.3087838 1.816743       0.4514141 1.415699       0.4233119 -0.000000      0.000000  
1 1 1 31  0  13 o 17.69278 1.007603  3.189089       0.3498723 3.677665       0.5103908 2.755981       0.4805451 -0.000000      0.000000  
1 1 1 31  0  14 o 54.01569 0.9919717 29.31722       1.070006  29.37292       1.519830  29.26248       1.506691  -0.000000      0.000000  
1 1 1 31  0  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  0  16 f 39.11697 1.063416  15.36341       0.7639704 15.57690       1.384402  15.26992       0.9160877 -0.000000      0.000000  
1 1 1 31  0  17 o 27.68508 0.8263738 7.697191       0.4530129 7.937548       0.6837541 7.509139       0.6048006 -0.000000      0.000000  
1 1 1 31  0  18 o 20.55735 0.9050380 4.246305       0.3644796 4.529051       0.5692186 4.049816       0.4745137 -0.000000      0.000000  
1 1 1 31  0  19 o 11.64368 1.461889  1.510053       0.2957163 1.384163       0.4707016 1.592139       0.3800909 -0.000000      0.000000  
1 1 1 31  0  20 o 19.05694 0.9634957 3.686455       0.3594365 3.779925       0.5534603 3.618278       0.4726834 -0.000000      0.000000  
1 1 1 31  0  21 o 45.35708 0.9082073 20.68576       0.8221489 20.45607       1.173573  20.90712       1.152113  -0.000000      0.000000  
1 1 1 31  1  0  o 39.77501 0.6049240 15.84338       0.4812137 15.83381       0.6817354 15.85287       0.6793486 -0.2416229E-01 1.209848  
1 1 1 31  1  1  o 21.99324 0.6019299 4.838577       0.2644260 5.197874       0.3804443 4.502790       0.3677864 1.579136       1.203860  
1 1 1 31  1  2  o 75.15454 0.8689137 56.64433       1.305837  55.96431       1.826512  57.35531       1.867639  -0.9202271     1.737827  
1 1 1 31  1  3  o 48.00610 0.6466643 23.06108       0.6205077 22.37131       0.8596326 23.81144       0.8965946 -1.496449      1.293329  
1 1 1 31  1  4  o 26.65392 0.5726520 7.073781       0.3042507 6.349784       0.4142483 7.921768       0.4483195 -2.945992      1.145304  
1 1 1 31  1  5  o 55.93799 0.7048315 31.31249       0.7877494 30.38015       1.084894  32.35224       1.145682  -1.756134      1.409663  
1 1 1 31  1  6  o 69.26709 0.8161505 48.10717       1.130290  47.39401       1.574757  48.86495       1.623290  -1.055336      1.632301  
1 1 1 31  1  7  o 24.62352 0.5882087 6.071307       0.2896263 5.951629       0.4052160 6.196301       0.4141158 -0.4959259     1.176417  
1 1 1 31  1  8  o 58.83492 0.7294524 34.69953       0.8582141 34.30017       1.200995  35.11625       1.226812  -0.6902199     1.458905  
1 1 1 31  1  9  f 35.12490 0.5871056 12.35139       0.4122843 12.09910       0.5734836 12.62125       0.5931287 -0.7412415     1.174211  
1 1 1 31  1  10 f 65.84097 0.7882893 43.32933       1.035497  41.36433       1.405788  45.66010       1.531045  -3.244698      1.576579  
1 1 1 31  1  11 o 35.90085 0.5923702 12.89268       0.4250123 12.34030       0.5880494 13.49679       0.6149703 -1.607765      1.184740  
1 1 1 31  1  12 o 67.93311 0.8081580 46.22824       1.096634  44.71685       1.505620  47.93608       1.600472  -2.354721      1.616316  
1 1 1 31  1  13 f 53.78983 0.8622731 28.53175       0.8566630 30.41353       1.565996  27.72814       1.023363  2.404430       1.724546  
1 1 1 31  1  14 o 37.58118 0.7842099 14.20851       0.5747477 14.33556       0.7371492 14.01154       0.9178841 0.4595604      1.568420  
1 1 1 31  1  15 o 50.15569 0.6690186 25.21831       0.6709980 25.79683       0.9579476 24.66105       0.9401711 1.129650       1.338037  
1 1 1 31  1  16 o 38.57626 0.7355064 14.96420       0.5367960 15.03259       0.6605685 14.83121       0.9210894 0.3029060      1.471013  
1 1 1 31  1  17 o 23.28877 0.6925103 5.239687       0.3122771 6.233398       0.5267133 4.701064       0.3877813 3.268360       1.385021  
1 1 1 31  1  18 o 38.98582 0.6015326 15.22224       0.4688265 14.73401       0.6521015 15.74460       0.6745077 -1.292957      1.203065  
1 1 1 31  1  19 o 17.16142 0.6949258 2.958452       0.2365140 3.475976       0.3405592 2.476292       0.3287176 2.910567       1.389852  
1 1 1 31  1  20 o 22.98775 0.6032646 5.297338       0.2773134 5.425827       0.3942078 5.171459       0.3901838 0.5526657      1.206529  
1 1 1 31  1  21 o 20.65338 0.6357978 4.277497       0.2626226 4.307201       0.3727290 4.248211       0.3700939 0.1423969      1.271596  
1 1 1 31  2  0  o 50.21630 0.9190339 25.20847       0.9209656 26.68998       1.358929  23.95001       1.252460  2.714424       1.838068  
1 1 1 31  2  1  o 36.33777 0.6965663 13.25140       0.4847934 13.15715       0.8108688 13.30384       0.6047869 -0.2222710     1.393133  
1 1 1 31  2  2  o 28.79548 0.5692665 8.288051       0.3274428 7.739510       0.4534008 8.886034       0.4733941 -1.989147      1.138533  
1 1 1 31  2  3  o 25.48005 0.5685967 6.496485       0.2896545 6.317818       0.4032862 6.686861       0.4162898 -0.7230930     1.137193  
1 1 1 31  2  4  o 61.81052 0.7506862 38.22097       0.9267085 36.94505       1.270388  39.67209       1.354809  -2.196495      1.501372  
1 1 1 31  2  5  f 50.32825 0.6624982 25.36092       0.6666038 26.05340       0.9585469 24.71235       0.9276523 1.329098       1.324996  
1 1 1 31  2  6  o 34.49357 0.5757288 11.90202       0.3969055 11.53107       0.5489985 12.30822       0.5744869 -1.124081      1.151458  
1 1 1 31  2  7  o 40.00743 0.5982813 16.03434       0.4786938 16.08234       0.6744865 15.98562       0.6794919 0.1213951      1.196563  
1 1 1 31  2  8  f 36.85271 0.5846584 13.60174       0.4308139 13.49628       0.6015038 13.71282       0.6173301 -0.2921638     1.169317  
1 1 1 31  2  9  o 49.47120 0.6569713 24.52658       0.6500162 24.68494       0.9203641 24.36897       0.9181632 0.3190918      1.313943  
1 1 1 31  2  10 o 12.34264 0.8108042 1.532651       0.1995504 1.602802       0.2760272 1.455847       0.2888210 0.5971575      1.621608  
1 1 1 31  2  11 o 29.55182 0.6284429 8.806282       0.3669554 8.362099       0.5561717 9.148710       0.4883287 -1.338703      1.256886  
1 1 1 31  2  12 o 15.86034 1.172837  2.542435       0.3682569 2.100018       0.5139986 3.009047       0.5278659 -2.862619      2.345674  
1 1 1 31  2  13 o 36.98811 0.7461406 13.01640       0.4915122 12.24404       0.5688864 15.29058       0.9761742 -4.058380      1.492281  
1 1 1 31  2  14 o 15.19209 0.7127422 2.318705       0.2146158 2.345192       0.2859316 2.284529       0.3247942 0.2052927      1.425484  
1 1 1 31  2  15 o 4.785915 1.300981  0.1536920      0.1728901 0.1502866      0.2234133 0.1587759      0.2729730 -0.3557758     2.601962  
1 1 1 31  2  16 o 40.06710 0.6073274 16.06896       0.4863097 16.93113       0.7016150 15.27174       0.6746676 2.067139       1.214655  
1 1 1 31  2  17 o 25.76719 0.6995137 6.536402       0.3418974 6.285427       0.4177008 7.045907       0.5951476 -1.448042      1.399027  
1 1 1 31  2  18 o 17.69684 0.8932977 3.200820       0.3108743 3.627477       0.4235622 2.702604       0.4577056 2.620140       1.786595  
1 1 1 31  2  19 f 32.13786 0.5814974 10.34895       0.3736611 10.02238       0.5231041 10.68918       0.5339354 -1.035839      1.162995  
1 1 1 31  2  20 o 9.014024 1.105839  0.8342745      0.1918480 0.6295843      0.2635869 1.064860       0.2797634 -2.544040      2.211678  
1 1 1 31  2  21 o 16.05969 0.7277589 2.599590       0.2318773 2.998329       0.3296333 2.209015       0.3262410 2.456828       1.455518  
1 1 1 31  3  0  o 30.97168 0.5659490 9.604616       0.3505605 9.574386       0.4938819 9.635311       0.4976748 -0.9805298E-01 1.131898  
1 1 1 31  3  1  o 29.50242 0.6521176 8.512726       0.3679942 8.051506       0.4524888 9.413656       0.6324111 -2.291553      1.304235  
1 1 1 31  3  2  o 32.44307 0.7469548 10.53649       0.4843078 11.10991       0.6980175 10.00420       0.6725229 1.701288       1.493910  
1 1 1 31  3  3  o 34.50128 0.6737752 12.11190       0.4531479 11.00678       0.7072793 12.88141       0.5901914 -2.728214      1.347550  
1 1 1 31  3  4  o 54.20102 0.6917147 29.42315       0.7496377 30.11852       1.075031  28.76500       1.045866  1.245544       1.383429  
1 1 1 31  3  5  o 52.66741 0.6793258 27.78502       0.7154187 28.40545       1.024202  27.19385       0.9997510 1.147587       1.358652  
1 1 1 31  3  6  o 13.41588 0.7451621 1.813404       0.1989251 1.930855       0.2740530 1.682608       0.2892031 0.9270906      1.490324  
1 1 1 31  3  7  o 15.39364 0.6916746 2.373234       0.2127446 2.332073       0.2935021 2.418802       0.3088144 -0.2798548     1.383349  
1 1 1 31  3  8  o 19.38277 0.6146810 3.737297       0.2372100 3.288010       0.3217763 4.272096       0.3510650 -2.535389      1.229362  
1 1 1 31  3  9  o 17.68377 0.6170583 3.112686       0.2172046 2.935708       0.2905313 3.336950       0.3270485 -1.130507      1.234117  
1 1 1 31  3  10 o 38.81908 0.8958951 15.07462       0.6940223 14.31261       0.9439009 15.97139       1.023973  -2.123676      1.791790  
1 1 1 31  3  11 o 28.93491 0.7566699 8.643027       0.3889934 8.956283       0.4599448 7.856082       0.7290030 1.937626       1.513340  
1 1 1 31  3  12 o 18.40932 0.6117656 3.383765       0.2237635 3.294149       0.2980455 3.499526       0.3387462 -0.5529366     1.223531  
1 1 1 31  3  13 o 9.151329 1.050263  0.8980080      0.1788146 1.073403       0.2366193 0.6644703      0.2730363 2.380199       2.100527  
1 1 1 31  3  14 o 48.86055 0.6552636 23.93281       0.6403004 24.26428       0.9086375 23.60585       0.9024373 0.6729317      1.310527  
1 1 1 31  3  15 o 9.132105 1.020633  0.8295450      0.1802629 0.6950040      0.2347552 1.022859       0.2813976 -1.901149      2.041266  
1 1 1 31  3  16 f 21.96686 0.5971932 4.831757       0.2617267 4.775589       0.3568981 4.897106       0.3849687 -0.2728958     1.194386  
1 1 1 31  3  17 o 15.85055 0.6998006 2.562153       0.2181106 2.871439       0.2954643 2.191789       0.3233252 2.148285       1.399601  
1 1 1 31  3  18 o 30.67089 0.5810745 9.434675       0.3561824 9.655892       0.4982499 9.203474       0.5093700 0.7390728      1.162149  
1 1 1 31  3  19 o 40.12509 0.8144757 16.11192       0.6515154 15.42189       0.8799741 16.94906       0.9692452 -1.884686      1.628951  
1 1 1 31  3  20 o 13.54730 0.7775781 1.839153       0.2104630 1.745886       0.2901649 1.942688       0.3057233 -0.7233906     1.555156  
1 1 1 31  3  21 o 54.90582 0.8585577 30.13115       0.8893399 29.78723       1.087048  30.82729       1.546565  -0.8490906     1.717115  
1 1 1 31  4  0  o 33.96270 0.5680423 11.50354       0.3850167 10.83399       0.5240704 12.28868       0.5675123 -2.138039      1.136085  
1 1 1 31  4  1  o 17.42374 0.6109413 3.042642       0.2125607 3.080873       0.2935282 3.000488       0.3082224 0.2319870      1.221883  
1 1 1 31  4  2  o 29.32855 0.5575004 8.566294       0.3260972 7.971451       0.4417160 9.278838       0.4834460 -2.225451      1.115001  
1 1 1 31  4  3  o 40.39625 0.7045549 16.07308       0.5402931 15.49784       0.6609781 17.23135       0.9379274 -2.116634      1.409110  
1 1 1 31  4  4  f 33.64624 0.7287385 11.33966       0.4901836 11.79829       0.7027033 10.90496       0.6841189 1.325417       1.457477  
1 1 1 31  4  5  o 22.61485 0.6274128 5.078507       0.2799268 5.389526       0.4385242 4.864621       0.3636566 1.152809       1.254826  
1 1 1 31  4  6  o 53.42910 0.6837525 28.60928       0.7306143 28.94713       1.038471  28.27816       1.028096  0.6248016      1.367505  
1 1 1 31  4  7  o 20.07525 0.5707033 4.045604       0.2281527 4.143271       0.3107989 3.931466       0.3359840 0.5300465      1.141407  
1 1 1 31  4  8  o 28.85980 0.9142704 8.346267       0.5269879 8.047949       0.7225223 8.685356       0.7703186 -1.096611      1.828541  
1 1 1 31  4  9  o 42.45969 0.7859544 17.56541       0.5950391 16.97293       0.6927798 19.23205       1.161919  -2.596054      1.571909  
1 1 1 31  4  10 o 31.40873 0.5595358 9.884294       0.3513594 10.04945       0.4930902 9.713939       0.5007937 0.5348892      1.119072  
1 1 1 31  4  11 o 32.60967 0.5614151 10.55458       0.3643178 9.684969       0.4864866 11.66501       0.5497386 -3.029211      1.122830  
1 1 1 31  4  12 o 41.70816 0.6035519 17.41210       0.5031771 18.17143       0.7249902 16.70640       0.6989251 1.753170       1.207104  
1 1 1 31  4  13 o 56.44529 0.7083251 31.95190       0.7996197 32.15792       1.130819  31.74587       1.130848  0.3650093      1.416650  
1 1 1 31  4  14 o 14.89908 0.6675100 2.217880       0.1973755 2.164381       0.2619101 2.288196       0.3002671 -0.4100018     1.335020  
1 1 1 31  4  15 o 39.37129 0.5946077 15.53661       0.4681766 15.70958       0.6610392 15.36253       0.6631693 0.4410286      1.189215  
1 1 1 31  4  16 o 33.50983 0.5755588 11.24046       0.3854245 10.97363       0.5322743 11.53459       0.5588408 -0.8336411     1.151118  
1 1 1 31  4  17 o 18.21207 0.6317222 3.316800       0.2290673 3.239214       0.3080826 3.412718       0.3425523 -0.4713459     1.263444  
1 1 1 31  4  18 o 24.14001 0.5853357 5.779757       0.2810430 5.245158       0.3744861 6.469099       0.4252446 -2.527884      1.170671  
1 1 1 31  4  19 o 25.49960 0.6298688 6.510716       0.3165630 6.462663       0.4132157 6.578986       0.4925321 -0.2155380     1.259738  
1 1 1 31  4  20 o 31.67573 0.7466781 10.07053       0.4719345 10.04888       0.6454958 10.09540       0.6917328 -0.6501389E-01 1.493356  
1 1 1 31  4  21 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  5  0  o 20.30904 0.8444303 4.246351       0.2918832 3.927165       0.5866533 4.351358       0.3364876 -1.073704      1.688861  
1 1 1 31  5  1  o 58.34049 0.7233420 33.97158       0.8415682 32.38878       1.138819  35.87588       1.249130  -2.976875      1.446684  
1 1 1 31  5  2  o 25.95657 0.5464277 6.730000       0.2832676 6.455006       0.3881824 7.043231       0.4142929 -1.130968      1.092855  
1 1 1 31  5  3  o 23.81845 0.5492249 5.667926       0.2612277 5.463679       0.3575108 5.901883       0.3826308 -0.9177532     1.098450  
1 1 1 31  5  4  o 33.08264 0.5563378 10.96169       0.3678431 11.00218       0.5112156 10.91822       0.5296937 0.1285667      1.112676  
1 1 1 31  5  5  o 31.11139 0.6786432 9.643867       0.4206052 9.094736       0.5650609 10.32614       0.6298508 -1.971542      1.357286  
1 1 1 31  5  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  5  7  o 14.87988 1.021364  2.186088       0.2181617 2.169106       0.2364994 2.283030       0.5650561 -0.3276711     2.042728  
1 1 1 31  5  8  o 8.336905 0.8949808 0.6973395      0.1461713 0.6954288      0.1885020 0.7002209      0.2314938 -0.2197456E-01 1.789962  
1 1 1 31  5  9  o 25.63451 0.5385717 6.550989       0.2753194 6.204723       0.3724224 6.968288       0.4088417 -1.485811      1.077143  
1 1 1 31  5  10 f 44.87619 0.6219110 20.10288       0.5567985 19.13651       0.7556515 21.25083       0.8235922 -2.347843      1.243822  
1 1 1 31  5  11 o 56.99486 0.7103223 32.57352       0.8096439 32.47947       1.137961  32.66993       1.152190  -0.1651115     1.420645  
1 1 1 31  5  12 o 21.85659 0.8467770 4.852426       0.3121306 4.691802       0.6430106 4.901942       0.3570142 -0.5268593     1.693554  
1 1 1 31  5  13 o 38.03675 0.8313540 14.65936       0.6093998 15.04749       0.7710885 14.01359       0.9946041 1.396912       1.662708  
1 1 1 31  5  14 o 49.17487 0.6574378 24.24633       0.6465560 24.59088       0.9174745 23.90641       0.9112933 0.6950493      1.314876  
1 1 1 31  5  15 o 29.45332 0.5592675 8.654025       0.3285921 8.181134       0.4455031 9.218214       0.4866121 -1.755472      1.118535  
1 1 1 31  5  16 o 26.91393 0.6503743 7.243314       0.3456821 7.141248       0.4528013 7.385906       0.5352021 -0.4425240     1.300749  
1 1 1 31  5  17 o 16.63666 0.6345840 2.761111       0.2093429 2.673224       0.2765613 2.879036       0.3203540 -0.6120491     1.269168  
1 1 1 31  5  18 o 29.44200 0.5697700 8.682888       0.3352818 8.551968       0.4644109 8.825410       0.4845502 -0.4615116     1.139540  
1 1 1 31  5  19 o 23.20390 0.9109725 5.795207       0.3528301 4.718475       0.7029380 6.157840       0.4079411 -3.163412      1.821945  
1 1 1 31  5  20 o 12.38607 1.748458  1.615888       0.4233672 1.224994       0.5995026 2.004779       0.5979637 -3.324391      3.496917  
1 1 1 31  6  0  o 18.77261 0.5471156 3.509687       0.2048404 3.198150       0.2788151 3.875048       0.3019413 -1.801031      1.094231  
1 1 1 31  6  1  o 8.226720 0.8034768 0.6722158      0.1314518 0.6204484      0.1748922 0.7394339      0.1992900 -0.7202373     1.606954  
1 1 1 31  6  2  o 19.90343 0.5237138 3.966242       0.2078734 3.966565       0.2834367 3.965866       0.3057890 0.3564835E-02  1.047428  
1 1 1 31  6  3  o 16.25550 1.023897  2.862323       0.2418813 2.358216       0.5800452 2.968436       0.2661240 -1.923743      2.047795  
1 1 1 31  6  4  o 50.47366 1.015548  25.55098       1.023766  24.67694       1.403818  26.54390       1.496244  -1.833523      2.031096  
1 1 1 31  6  5  f 32.39550 0.7691308 10.12451       0.4177261 9.808913       0.4718567 11.26815       0.8982295 -2.196548      1.538262  
1 1 1 31  6  6  o 41.75304 0.6845329 17.16973       0.5436127 16.52925       0.6662484 18.44538       0.9402636 -2.261761      1.369066  
1 1 1 31  6  7  o 27.38829 0.6224456 7.507958       0.3404165 8.119420       0.4894943 6.935235       0.4737355 2.160114       1.244891  
1 1 1 31  6  8  o 40.19398 0.6695196 16.22608       0.5271153 16.02177       0.8316755 16.36326       0.6814700 -0.4426384     1.339039  
1 1 1 31  6  9  o 29.58107 0.5326885 8.742267       0.3147378 8.349615       0.4318707 9.187034       0.4596390 -1.412741      1.065377  
1 1 1 31  6  10 o 32.52351 0.5440422 10.57930       0.3534786 10.28880       0.4860737 10.90536       0.5149650 -0.9448471     1.088084  
1 1 1 31  6  11 o 7.687416 0.8324212 0.5718042      0.1203443 0.3900650      0.1536582 0.8601541      0.1935492 -3.145663      1.664842  
1 1 1 31  6  12 o 61.76607 0.8095090 38.35284       0.9923193 38.79314       1.327989  37.79618       1.493196  0.8339615      1.619018  
1 1 1 31  6  13 o 27.43341 0.6037577 7.549371       0.3307753 7.068190       0.4672779 8.032656       0.4682975 -1.757696      1.207515  
1 1 1 31  6  14 o 30.41884 0.5465829 9.270357       0.3322358 9.796306       0.4732229 8.759131       0.4665528 1.704010       1.093166  
1 1 1 31  6  15 o 34.58020 0.5655155 11.96844       0.3908168 11.65379       0.5400405 12.31442       0.5662903 -0.9519348     1.131031  
1 1 1 31  6  16 o 21.82386 0.5470045 4.785555       0.2379127 5.215517       0.3350355 4.348207       0.3379015 1.987425       1.094009  
1 1 1 31  6  17 o 28.95349 0.5482044 8.377518       0.3169844 7.976515       0.4342371 8.834956       0.4637880 -1.478535      1.096409  
1 1 1 31  6  18 o 8.658510 2.001128  0.7466206      0.3992883 0.6881477      0.5672660 0.8040388      0.5621269 -0.4649515     4.002257  
1 1 1 31  6  19 o 18.98391 1.274244  3.632032       0.4829792 3.909699       0.7062753 3.388123       0.6619489 1.359959       2.548488  
1 1 1 31  6  20 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  7  0  o 48.16939 1.006881  23.30120       0.9698674 23.87894       1.378363  22.73467       1.364935  1.185715       2.013763  
1 1 1 31  7  1  o 22.32284 1.087898  5.010932       0.4850961 5.045839       0.6708534 4.972677       0.7022845 0.1692219      2.175796  
1 1 1 31  7  2  o 29.15650 0.9901377 8.546760       0.5768537 8.894827       0.8116161 8.191433       0.8200377 1.207602       1.980275  
1 1 1 31  7  3  o 25.30167 1.039743  6.432437       0.5255854 6.379554       0.7254030 6.490879       0.7625688 -0.2134094     2.079486  
1 1 1 31  7  4  f 16.28048 1.335451  2.677357       0.4342228 2.812500       0.6102434 2.538759       0.6179973 0.8425102      2.670902  
1 1 1 31  7  5  o 31.78925 0.9782498 10.14486       0.6215695 9.914114       0.8607723 10.39628       0.8985053 -0.7518787     1.956500  
1 1 1 31  7  6  o 44.15898 0.9889918 19.56905       0.8727665 20.66365       1.258663  18.55534       1.211258  2.378906       1.977984  
1 1 1 31  7  7  o 44.07008 1.287848  19.29794       1.022801  18.93376       1.203112  20.24716       1.942368  -1.324013      2.575697  
1 1 1 31  7  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  7  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  7  10 o 21.41850 1.144314  4.624792       0.4896391 4.870598       0.6919097 4.378210       0.6930003 1.149694       2.288628  
1 1 1 31  7  11 o 29.24326 1.005721  8.595371       0.5877155 8.477235       0.8123282 8.725133       0.8513550 -0.4159889     2.011442  
1 1 1 31  7  12 o 25.52074 1.077242  6.598375       0.5460513 7.356239       0.7637044 5.805684       0.7810544 3.041775       2.154484  
1 1 1 31  7  13 o 25.17988 1.071976  6.351767       0.5383602 5.818055       0.7318686 6.981087       0.7947220 -2.294378      2.143953  
1 1 1 31  7  14 o 24.13200 1.097052  5.860452       0.5290524 5.542957       0.7356157 6.200626       0.7614383 -1.356409      2.194105  
1 1 1 31  7  15 o 38.81930 0.9832805 15.15043       0.7630203 14.79221       1.058705  15.53760       1.100665  -0.9507408     1.966561  
1 1 1 31  7  16 o 9.698120 2.019187  0.9829091      0.4208229 1.129369       0.5894222 0.8306322      0.6010140 1.241609       4.038374  
1 1 1 31  7  17 o 17.79199 1.347105  3.195657       0.4774601 3.618073       0.6954709 2.819072       0.6566603 2.232315       2.694210  
1 1 1 31  7  18 o 48.74119 1.033745  23.92814       1.007504  24.21071       1.442773  23.65921       1.407533  0.5567627      2.067490  
1 1 1 31  7  19 o 13.99368 1.691485  2.027692       0.4624923 1.863786       0.6493966 2.196396       0.6588313 -1.395322      3.382971  
1 1 1 31  8  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  8  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  8  2  o 18.26534 1.302170  3.363383       0.4756208 3.340004       0.6660008 3.387715       0.6794599 -0.1275826     2.604340  
1 1 1 31  8  3  o 8.742832 1.862919  0.6329623      0.4097935 -0.1547356E-01 0.5598326 1.381456       0.6014767 -5.371638      3.725839  
1 1 1 31  8  4  o 44.22636 1.009786  19.64388       0.8925952 20.67605       1.280307  18.66774       1.245071  2.264229       2.019571  
1 1 1 31  8  5  o 35.33089 0.9894804 12.55318       0.6984919 13.16434       0.9862074 11.93801       0.9894339 1.736057       1.978961  
1 1 1 31  8  6  o 25.47633 1.051844  6.537100       0.5345560 6.693827       0.7354417 6.361557       0.7783329 0.6601524      2.103688  
1 1 1 31  8  7  o 32.93921 0.9977682 10.91361       0.6565645 11.09019       0.9115235 10.72322       0.9465093 0.5634499      1.995536  
1 1 1 31  8  8  o 22.23742 1.159368  4.989362       0.5147366 5.218819       0.7192688 4.748487       0.7369480 1.061430       2.318736  
1 1 1 31  8  9  o 9.507857 2.876079  0.9332097      0.5933502 0.9332097      0.5933502 ?              ?         ?              ?         
1 1 1 31  8  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  8  11 o 19.69482 1.527105  4.056501       0.5710920 3.493622       0.9318480 4.395090       0.7227257 -2.353834      3.054210  
1 1 1 31  8  12 f 42.40055 1.012711  18.06098       0.8578880 17.36919       1.180625  18.83485       1.248710  -1.712944      2.025422  
1 1 1 31  8  13 o 23.66521 1.134418  5.641655       0.5364226 5.563492       0.7406240 5.727903       0.7779865 -0.3380222     2.268836  
1 1 1 31  8  14 f 55.50470 1.098852  31.00828       1.218873  30.18887       1.683632  31.91073       1.766873  -1.530571      2.197704  
1 1 1 31  8  15 o 35.94891 1.024056  12.98571       0.7354952 12.28119       1.014807  13.76527       1.067486  -2.051571      2.048111  
1 1 1 31  8  16 o 40.83200 1.011804  16.78634       0.8260992 17.28111       1.179334  16.30970       1.157532  1.184063       2.023609  
1 1 1 31  8  17 f 45.62673 1.029034  20.92659       0.9379691 19.86691       1.291157  22.11076       1.364890  -2.439949      2.058068  
1 1 1 31  8  18 o 32.20388 1.032723  10.36655       0.6614249 8.960151       0.8962983 12.04824       0.9801015 -4.773460      2.065446  
1 1 1 31  8  19 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  9  0  o 26.09877 1.062606  6.844504       0.5543741 6.545974       0.7744336 7.158261       0.7939368 -1.169474      2.125212  
1 1 1 31  9  1  o 46.05460 1.022273  21.29953       0.9409586 20.80078       1.301724  21.84533       1.361736  -1.123310      2.044545  
1 1 1 31  9  2  o 14.99284 1.490848  2.272631       0.4470291 2.250725       0.6299201 2.294857       0.6344939 -0.1459770     2.981695  
1 1 1 31  9  3  o 61.44917 1.145950  37.99924       1.408062  37.63285       1.967804  38.38367       2.015660  -0.6012573     2.291900  
1 1 1 31  9  4  o 22.99549 1.149669  5.328337       0.5274880 5.782444       0.7493010 4.882190       0.7427040 1.956121       2.299337  
1 1 1 31  9  5  o 52.11481 1.068918  27.32020       1.113992  27.57267       1.568034  27.06292       1.582917  0.4919205      2.137835  
1 1 1 31  9  6  o 16.99300 1.430494  2.931189       0.4839930 3.156598       0.6728931 2.689571       0.6966646 1.380444       2.860988  
1 1 1 31  9  7  o 21.09232 1.210292  4.473032       0.5099124 4.225056       0.7011885 4.751363       0.7428650 -1.237915      2.420584  
1 1 1 31  9  8  o 22.56603 1.161424  5.121771       0.5228782 5.009176       0.7115567 5.253940       0.7709297 -0.5286503     2.322848  
1 1 1 31  9  9  o 23.04285 1.163855  5.322100       0.5345972 5.014872       0.7210607 5.697117       0.7966471 -1.462742      2.327709  
1 1 1 31  9  10 o 39.65734 1.020712  15.82662       0.8086208 15.86487       1.117563  15.78458       1.171465  0.1128235      2.041425  
1 1 1 31  9  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  9  12 o 45.35472 1.507211  0.000000       0.000000  ?              ?         20.71636       1.367183  ?              ?         
1 1 1 31  9  13 o 34.25323 1.038864  11.79989       0.7109755 11.53798       0.9797317 12.09125       1.033352  -0.7951508     2.077728  
1 1 1 31  9  14 o 20.15291 1.328065  4.100763       0.5347130 3.944994       0.7356447 4.275243       0.7785772 -0.8061180     2.656131  
1 1 1 31  9  15 o 33.17220 1.055793  11.08036       0.7000949 11.58969       1.004508  10.59927       0.9762629 1.485538       2.111585  
1 1 1 31  9  16 f 11.25454 2.056217  1.352019       0.4668893 1.262235       0.6538194 1.445443       0.6669385 -0.7434664     4.112434  
1 1 1 31  9  17 o 38.55220 1.032391  14.95244       0.7954976 14.35992       1.102099  15.59691       1.149398  -1.592392      2.064781  
1 1 1 31  9  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  10 0  o 19.19252 1.266068  3.739600       0.4803150 4.400304       0.6803442 3.083060       0.6781970 3.431187       2.532135  
1 1 1 31  10 1  o 25.16094 1.101811  6.339855       0.5530468 5.961140       0.7502583 6.790522       0.8184335 -1.634911      2.203621  
1 1 1 31  10 2  o 58.81231 1.132513  34.81202       1.332013  34.94142       1.874323  34.67999       1.893324  0.2260590      2.265026  
1 1 1 31  10 3  o 28.40835 1.064091  8.121507       0.6041588 8.299079       0.8449660 7.935768       0.8641770 0.6430874      2.128182  
1 1 1 31  10 4  o 29.42426 1.067748  8.711273       0.6279319 8.783434       0.8742672 8.634384       0.9024634 0.2587643      2.135497  
1 1 1 31  10 5  o 11.31831 1.960860  1.334618       0.4497297 0.9056087      0.6127133 1.835713       0.6621921 -3.789198      3.921721  
1 1 1 31  10 6  o 52.85314 1.100819  28.09454       1.162266  27.59609       1.599562  28.65207       1.691689  -0.9791603     2.201638  
1 1 1 31  10 7  o 40.30881 1.036393  16.33224       0.8347887 16.02921       1.152639  16.66652       1.210634  -0.7785568     2.072787  
1 1 1 31  10 8  o 33.10801 1.048115  11.03840       0.6934752 11.33579       0.9708256 10.72856       0.9909275 0.9212875      2.096230  
1 1 1 31  10 9  o 25.14673 1.143521  6.351499       0.5734475 6.100240       0.7763504 6.653183       0.8506932 -1.081224      2.287041  
1 1 1 31  10 10 f 32.28404 1.054515  10.47196       0.6793738 10.15764       0.9251580 10.83982       1.000861  -1.038675      2.109029  
1 1 1 31  10 11 o 41.20653 1.042283  17.04156       0.8570548 16.34220       1.165674  17.86449       1.264461  -1.824455      2.084567  
1 1 1 31  10 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  10 13 o 53.78140 1.615210  0.000000       0.000000  ?              ?         29.17250       1.737365  ?              ?         
1 1 1 31  10 14 o 29.10409 1.125464  8.530644       0.6530001 9.522301       0.9437265 7.619741       0.9044861 3.257748       2.250928  
1 1 1 31  10 15 o 33.99275 1.079632  11.65244       0.7336821 11.70378       1.024083  11.59831       1.051632  0.1626282      2.159265  
1 1 1 31  10 16 f 46.78339 1.066950  22.01233       0.9972576 23.20691       1.449868  20.93971       1.373870  2.403305       2.133901  
1 1 1 31  10 17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  11 0  o 33.87120 1.046222  11.53660       0.7086353 11.75099       1.001635  11.32176       1.002689  0.6338120      2.092443  
1 1 1 31  11 1  o 13.59000 1.797644  1.913520       0.4767237 1.641593       0.6670703 2.197373       0.6815408 -2.268848      3.595287  
1 1 1 31  11 2  o 45.09245 1.052572  20.43996       0.9488350 20.16196       1.318815  20.73826       1.366147  -0.6299706     2.105143  
1 1 1 31  11 3  o 49.95060 1.073691  25.09958       1.072500  25.65831       1.525246  24.55314       1.508381  1.102871       2.147382  
1 1 1 31  11 4  o 21.43799 1.254721  4.606388       0.5361279 4.144185       0.7280171 5.154063       0.7924764 -2.339729      2.509443  
1 1 1 31  11 5  o 42.05302 1.045176  17.79403       0.8789982 17.94259       1.239623  17.64379       1.246589  0.3567085      2.090353  
1 1 1 31  11 6  o 24.95097 1.193805  6.209619       0.5915903 5.294424       0.7958553 7.339794       0.8844029 -4.077703      2.387609  
1 1 1 31  11 7  o 25.68288 1.162922  6.631974       0.5958139 6.435990       0.8094094 6.863769       0.8802583 -0.8158264     2.325843  
1 1 1 31  11 8  o 37.60604 1.050272  14.09181       0.7853525 12.89315       1.044299  15.65224       1.191517  -3.634407      2.100544  
1 1 1 31  11 9  o 26.38074 1.162671  7.036988       0.6114035 7.298459       0.8412912 6.744311       0.8900805 1.062912       2.325343  
1 1 1 31  11 10 f 36.22989 1.072089  13.21280       0.7756228 14.25260       1.111560  12.22611       1.082798  2.789921       2.144177  
1 1 1 31  11 11 f 60.92071 1.177752  37.44475       1.434901  37.79385       2.025048  37.09274       2.033490  0.5776749      2.355505  
1 1 1 31  11 12 o 11.42115 2.126189  1.376164       0.5019385 0.9894655      0.6942383 1.799707       0.7265608 -3.145120      4.252378  
1 1 1 31  11 13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  11 14 o 36.78749 2.444578  0.000000       0.000000  ?              ?         13.82037       1.798597  ?              ?         
1 1 1 31  11 15 o 18.97050 1.451160  3.651490       0.5504206 3.761461       0.7798212 3.542309       0.7770109 0.5766163      2.902321  
1 1 1 31  11 16 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  12 0  o 14.27208 1.743012  2.096631       0.4875295 2.018405       0.6759845 2.181427       0.7037981 -0.7770424     3.486023  
1 1 1 31  12 1  o 33.77620 1.071062  11.48420       0.7228908 11.64990       1.005877  11.30721       1.039601  0.5140915      2.142124  
1 1 1 31  12 2  o 14.02260 1.799798  2.021316       0.4935514 1.844029       0.6713521 2.229821       0.7280666 -1.575923      3.599597  
1 1 1 31  12 3  o 46.49303 1.081980  21.75696       1.005899  21.71612       1.408275  21.79949       1.437281  -0.8343887E-01 2.163961  
1 1 1 31  12 4  o 25.52330 1.196970  6.550337       0.6102268 6.207196       0.8382795 6.937148       0.8900251 -1.417604      2.393940  
1 1 1 31  12 5  o 37.57668 1.067564  14.06368       0.7979428 12.74017       1.063835  15.76598       1.206505  -3.995171      2.135128  
1 1 1 31  12 6  o 11.48219 2.097215  1.427904       0.4893217 1.656044       0.6525437 1.134818       0.7396176 2.032339       4.194431  
1 1 1 31  12 7  o 31.69782 1.106771  10.12811       0.6994277 10.16078       0.9529788 10.08998       1.029757  0.1306591      2.213542  
1 1 1 31  12 8  f 39.48128 1.072569  15.69800       0.8458915 15.66466       1.167235  15.73489       1.227588  -0.7463837E-01 2.145137  
1 1 1 31  12 9  o 17.09209 1.715773  3.095145       0.5422183 4.244522       0.7749757 1.992951       0.7589020 6.790570       3.431546  
1 1 1 31  12 10 o 27.69213 1.178067  7.748737       0.6513649 7.993742       0.9049023 7.485290       0.9383458 0.9270611      2.356133  
1 1 1 31  12 11 o 28.61520 1.173135  8.288651       0.6685696 9.130200       0.9436284 7.440392       0.9473832 2.953684       2.346270  
1 1 1 31  12 12 o 52.24408 1.124263  27.50924       1.173699  26.86818       1.619745  28.21798       1.703113  -1.268333      2.248525  
1 1 1 31  12 13 o 22.70885 1.334318  5.246844       0.6027545 5.563615       0.8280311 4.889790       0.8791070 1.500507       2.668635  
1 1 1 31  12 14 o 14.03520 4.332520  2.117470       1.337331  2.117470       1.337331  ?              ?         ?              ?         
1 1 1 31  12 15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  13 0  o 25.70542 1.229283  6.617043       0.6297616 6.080168       0.8492951 7.272796       0.9386247 -2.298243      2.458567  
1 1 1 31  13 1  o 33.49179 1.106907  11.25676       0.7395762 10.79590       1.003757  11.80410       1.093883  -1.485291      2.213814  
1 1 1 31  13 2  f 30.27532 1.131954  9.230737       0.6853436 9.088745       0.9618304 9.377180       0.9767870 -0.4729691     2.263908  
1 1 1 31  13 3  o 25.92278 1.224559  6.777291       0.6345375 6.479417       0.8911695 7.083604       0.9037049 -1.162224      2.449117  
1 1 1 31  13 4  o 17.41517 1.707606  3.136413       0.5591350 2.159022       0.7636145 4.266141       0.8209695 -6.229794      3.415211  
1 1 1 31  13 5  o 15.46956 1.841239  2.461925       0.5454488 1.802593       0.7354865 3.267759       0.8131024 -4.924687      3.682477  
1 1 1 31  13 6  o 49.03493 1.120965  24.13928       1.096559  22.96304       1.487651  25.53872       1.622668  -2.592831      2.241930  
1 1 1 31  13 7  o 38.46822 1.111106  14.93228       0.8535305 15.39312       1.186919  14.43876       1.228293  1.250607       2.222213  
1 1 1 31  13 8  o 38.27842 1.087984  14.72925       0.8319381 14.01806       1.143732  15.52831       1.212339  -1.955803      2.175968  
1 1 1 31  13 9  o 41.34810 1.089272  17.24333       0.8998695 17.56791       1.252154  16.89664       1.294097  0.8224068      2.178544  
1 1 1 31  13 10 f 18.43154 1.558060  3.498184       0.5664762 3.996664       0.7826628 2.949748       0.8209441 2.854414       3.116120  
1 1 1 31  13 11 o 33.91601 1.130221  11.60791       0.7659191 11.60826       1.060367  11.60753       1.107518  0.1452637E-01  2.260441  
1 1 1 31  13 12 o 23.83315 1.334203  5.818562       0.6266571 6.829846       0.8765254 4.761233       0.8962579 4.346146       2.668407  
1 1 1 31  13 13 o 16.03584 2.604553  2.632497       0.8353240 2.632497       0.8353240 ?              ?         ?              ?         
1 1 1 31  13 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  14 0  o 44.46370 1.129089  19.84196       1.000719  19.08127       1.351271  20.76590       1.489227  -1.862854      2.258178  
1 1 1 31  14 1  o 12.24739 2.144704  1.610845       0.5394017 2.174556       0.7569991 1.029428       0.7687958 4.233279       4.289408  
1 1 1 31  14 2  o 7.969954 2.218813  0.3954969      0.5183700 0.3841839      0.7299451 0.4070067      0.7362676 -0.8776903E-01 4.437627  
1 1 1 31  14 3  o 13.21077 2.009156  1.836625       0.5151300 1.568763       0.6967979 2.159466       0.7649729 -2.167587      4.018313  
1 1 1 31  14 4  o 26.65667 1.241194  7.182842       0.6594479 7.285946       0.8999442 7.063287       0.9690902 0.4365902      2.482388  
1 1 1 31  14 5  f 20.57525 1.459294  4.257751       0.5916534 3.331596       0.8015026 5.366699       0.8770387 -4.921417      2.918588  
1 1 1 31  14 6  o 54.22044 1.168619  29.65628       1.266445  29.68069       1.760241  29.63008       1.823479  0.6338501E-01  2.337238  
1 1 1 31  14 7  o 51.81262 1.149610  26.86808       1.185821  24.94467       1.586745  29.30121       1.784653  -4.151196      2.299219  
1 1 1 31  14 8  o 14.48704 1.926239  2.197276       0.5446851 2.309613       0.7484475 2.070790       0.7941878 1.104182       3.852479  
1 1 1 31  14 9  o 45.97329 1.134616  21.30021       1.041154  20.89347       1.422368  21.76969       1.528143  -0.9227486     2.269233  
1 1 1 31  14 10 o 55.19317 1.172467  30.70834       1.292258  29.92930       1.770567  31.59637       1.890367  -1.475330      2.344934  
1 1 1 31  14 11 o 55.85677 1.181022  31.45844       1.317771  30.69391       1.811498  32.31774       1.920494  -1.422119      2.362044  
1 1 1 31  14 12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  15 0  o 39.32039 1.143172  15.58806       0.8988072 15.55653       1.257612  15.62099       1.285042  -0.7495499E-01 2.286344  
1 1 1 31  15 1  o 73.10771 1.343326  53.82501       1.957581  51.42882       2.641608  56.74382       2.915485  -3.553360      2.686652  
1 1 1 31  15 2  o 26.96047 1.254367  7.337467       0.6762520 7.189164       0.9462447 7.492289       0.9668167 -0.5564804     2.508734  
1 1 1 31  15 3  o 14.31179 1.953057  2.097447       0.5454364 1.675163       0.7262384 2.643851       0.8261020 -3.563837      3.906114  
1 1 1 31  15 4  f 14.89254 1.897350  2.298531       0.5507451 1.965544       0.7566974 2.673623       0.8031160 -2.597863      3.794699  
1 1 1 31  15 5  o 7.342196 2.170604  0.9959791E-01  0.5350953 -0.7990826E-01 0.7238919 0.3158332      0.7945061 -1.264357      4.341208  
1 1 1 31  15 6  f 8.904271 2.280259  0.6778347      0.5314182 0.4285087      0.7608665 0.9152984      0.7425460 -1.505646      4.560519  
1 1 1 31  15 7  f 18.17897 1.638828  3.361663       0.5943252 3.041370       0.8229666 3.710790       0.8592100 -1.826271      3.277655  
1 1 1 31  15 8  o 33.79299 1.177194  11.38141       0.7904055 10.11726       1.049548  13.03776       1.201377  -4.276609      2.354388  
1 1 1 31  15 9  o 66.55810 1.281331  44.80483       1.705530  45.24650       2.405993  44.35874       2.418018  0.6706696      2.562661  
1 1 1 31  15 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  16 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  16 1  o 43.00046 1.694618  0.000000       0.000000  ?              ?         18.66112       1.457387  ?              ?         
1 1 1 31  16 2  o 39.74483 1.167538  15.71349       0.9204707 14.23793       1.210745  17.73436       1.416919  -4.342682      2.335076  
1 1 1 31  16 3  o 48.89764 1.175482  24.13466       1.149069  25.04859       1.630661  23.23325       1.619455  1.853127       2.350963  
1 1 1 31  16 4  o 14.86300 2.035482  2.337323       0.5889438 2.568218       0.8032165 2.068847       0.8661207 1.971386       4.070964  
1 1 1 31  16 5  o 12.98062 2.238342  1.807611       0.5735961 1.773409       0.7675727 1.850867       0.8631957 -0.2417469     4.476685  
1 1 1 31  16 6  o 25.26815 1.374934  6.385797       0.6902999 5.601531       0.9193564 7.399390       1.045163  -3.514761      2.749868  
1 1 1 31  16 7  f 36.88939 1.210335  13.70581       0.8900779 13.27699       1.203683  14.22321       1.322162  -1.247501      2.420670  
1 1 1 31  16 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  17 0  o 10.80904 3.410842  1.208441       0.8228435 1.208441       0.8228435 ?              ?         ?              ?         
1 1 1 31  17 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  17 2  o 27.89560 3.334110  0.000000       0.000000  ?              ?         8.090523       1.860140  ?              ?         
1 1 1 31  17 3  o 37.07792 1.213309  13.89570       0.8988426 14.66718       1.275463  13.13457       1.266891  2.064159       2.426619  
1 1 1 31  17 4  o 34.59330 1.232198  12.06379       0.8510681 11.62521       1.163159  12.56913       1.248558  -1.338608      2.464396  
1 1 1 31  17 5  o 10.91497 4.236760  0.8853236      1.325072  0.8853236      1.325072  ?              ?         ?              ?         
1 1 1 31  17 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  18 0  o 20.37192 1.692738  4.240506       0.6883582 4.403322       0.9572761 4.066176       0.9905471 0.8413620      3.385476  
1 1 1 31  18 1  o 18.72744 1.818925  3.552217       0.6779211 3.170339       0.9094453 4.029757       1.016995  -2.246840      3.637849  
1 1 1 31  18 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  18 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 31  19 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  0  0  o 34.55849 0.8281379 12.00205       0.5705328 11.99060       0.7918602 12.01441       0.8227356 -0.000000      0.000000  
1 1 1 32  0  1  f 94.37337 1.487386  89.65636       2.804150  89.24355       3.942493  90.07904       3.989253  -0.000000      0.000000  
1 1 1 32  0  2  o 39.00951 0.8451092 15.28468       0.6578783 15.18072       0.9209421 15.39301       0.9401150 -0.000000      0.000000  
1 1 1 32  0  3  o 27.46389 0.8055354 7.588001       0.4406312 7.402274       0.6124085 7.787349       0.6344701 -0.000000      0.000000  
1 1 1 32  0  4  o 29.13230 0.8097327 8.528996       0.4698947 8.215755       0.6506444 8.870481       0.6793474 -0.000000      0.000000  
1 1 1 32  0  5  o 16.21881 1.003036  2.712215       0.3176158 3.093359       0.4486123 2.329147       0.4497429 -0.000000      0.000000  
1 1 1 32  0  6  o 3.476753 1.583101  -0.2879070E-01 0.2554681 -0.2308666     0.3609987 0.1739306      0.3615748 -0.000000      0.000000  
1 1 1 32  0  7  o 35.00060 0.8260593 12.30973       0.5767525 12.12142       0.8071847 12.50615       0.8243898 -0.000000      0.000000  
1 1 1 32  0  8  o 24.21064 0.8420972 5.915692       0.4056003 5.879047       0.5771186 5.951460       0.5701557 -0.000000      0.000000  
1 1 1 32  0  9  o 29.48281 0.8257613 8.755393       0.4849217 8.460505       0.6895617 9.043904       0.6820655 -0.000000      0.000000  
1 1 1 32  0  10 o 24.25256 1.231066  5.939747       0.5938644 5.939747       0.5938644 5.939747       0.5938644 -0.000000      0.000000  
1 1 1 32  0  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  0  12 o 47.86005 0.9294568 23.02036       0.8881268 22.98982       1.263260  23.05021       1.248865  -0.000000      0.000000  
1 1 1 32  0  13 o 46.07766 0.9168760 21.33461       0.8434168 21.03999       1.185318  21.63676       1.200367  -0.000000      0.000000  
1 1 1 32  0  14 o 8.341619 1.835173  0.8436424      0.2746117 1.216714       0.4348614 0.5961870      0.3541631 -0.000000      0.000000  
1 1 1 32  0  15 o 3.770282 1.688637  0.7326628E-01  0.2570806 0.1276471      0.4200327 0.4069287E-01  0.3250811 -0.000000      0.000000  
1 1 1 32  0  16 o 12.60144 1.209968  1.666110       0.2896892 1.655684       0.4498632 1.673496       0.3786450 -0.000000      0.000000  
1 1 1 32  0  17 o 11.42020 1.373058  1.368543       0.2853913 1.648471       0.4487914 1.178492       0.3697917 -0.000000      0.000000  
1 1 1 32  0  18 o 56.48928 1.008735  32.08297       1.137915  31.42611       1.603182  32.74987       1.615396  -0.000000      0.000000  
1 1 1 32  1  0  o 34.32166 0.5793850 11.79759       0.3977040 11.88194       0.5636587 11.71396       0.5612261 0.2444878      1.158770  
1 1 1 32  1  1  f 52.64017 0.6805522 27.68993       0.7152510 29.14262       1.049962  26.43210       0.9770092 2.566231       1.361104  
1 1 1 32  1  2  o 46.48141 0.6381274 21.63049       0.5929528 21.05288       0.8236006 22.25207       0.8543695 -1.286564      1.276255  
1 1 1 32  1  3  o 30.32659 0.5724798 9.194257       0.3468784 9.745257       0.5027807 8.693754       0.4791894 1.731256       1.144960  
1 1 1 32  1  4  o 32.41232 0.5765138 10.44810       0.3723847 9.483038       0.5031465 11.61703       0.5537454 -3.286806      1.153028  
1 1 1 32  1  5  o 27.77216 0.5752195 7.720319       0.3193525 7.557725       0.4434420 7.895508       0.4602947 -0.6064205     1.150439  
1 1 1 32  1  6  o 50.81872 0.6668965 25.85459       0.6773340 25.14150       0.9365268 26.63668       0.9807957 -1.465797      1.333793  
1 1 1 32  1  7  o 16.02741 0.7125667 2.570668       0.2281763 2.425311       0.3153375 2.730419       0.3305820 -0.9498243     1.425133  
1 1 1 32  1  8  o 42.77850 0.6181154 18.33193       0.5287280 18.04629       0.7384544 18.63240       0.7573732 -0.6827927     1.236231  
1 1 1 32  1  9  o 51.08281 0.9608164 26.08876       0.9784561 24.52953       1.320420  27.98764       1.457154  -3.358688      1.921633  
1 1 1 32  1  10 o 34.16607 0.7272561 11.84995       0.4682103 12.14662       0.5769461 11.27769       0.8013077 1.303837       1.454512  
1 1 1 32  1  11 o 20.98802 0.6345884 4.410017       0.2661876 4.201239       0.3693778 4.635579       0.3839364 -1.032751      1.269177  
1 1 1 32  1  12 o 51.31419 0.9345449 26.47748       0.9588721 26.50515       1.341654  26.44858       1.370920  0.6124115E-01  1.869090  
1 1 1 32  1  13 o 28.56166 0.6767931 7.895131       0.3716349 9.203360       0.6367638 7.219315       0.4576677 3.446527       1.353586  
1 1 1 32  1  14 o 28.15018 0.5769476 7.926353       0.3243725 7.674220       0.4447572 8.212866       0.4741128 -0.9528942     1.153895  
1 1 1 32  1  15 o 28.33544 0.5827958 8.032753       0.3294508 8.866435       0.4762338 7.267612       0.4562369 2.818487       1.165592  
1 1 1 32  1  16 o 37.83003 0.5884610 14.34569       0.4452089 14.15005       0.6275713 14.54390       0.6316898 -0.5199471     1.176922  
1 1 1 32  1  17 o 29.92892 0.5721896 8.968427       0.3422878 8.554647       0.4760590 9.411271       0.4924954 -1.428778      1.144379  
1 1 1 32  1  18 o 15.27780 0.7171944 2.342565       0.2190540 2.431536       0.3111725 2.255158       0.3084239 0.5767488      1.434389  
1 1 1 32  2  0  o 35.95198 0.5842798 12.93498       0.4199421 13.41030       0.6037712 12.48955       0.5844743 1.278694       1.168560  
1 1 1 32  2  1  o 26.70397 0.5746843 7.124132       0.3065171 6.677742       0.4220257 7.622504       0.4459220 -1.766626      1.149369  
1 1 1 32  2  2  o 15.11728 0.6970816 2.293103       0.2103920 2.453958       0.2979892 2.133216       0.2970912 1.060735       1.394163  
1 1 1 32  2  3  o 16.14290 0.6641416 2.608881       0.2142844 2.484766       0.2980367 2.741702       0.3083122 -0.7946177     1.328283  
1 1 1 32  2  4  o 33.90445 0.5715279 11.51292       0.3875273 11.42447       0.5447211 11.60356       0.5514334 -0.2634430     1.143056  
1 1 1 32  2  5  o 24.03045 0.5773485 5.724008       0.2758420 4.975526       0.3705919 6.653829       0.4130522 -3.487698      1.154697  
1 1 1 32  2  6  o 16.88391 0.6569619 2.861797       0.2214190 3.038508       0.3113328 2.680936       0.3149664 1.059343       1.313924  
1 1 1 32  2  7  o 26.52028 0.8747823 7.060222       0.4637912 7.014283       0.6456028 7.109213       0.6667059 -0.1755333     1.749565  
1 1 1 32  2  8  o 33.85957 0.7773541 11.53784       0.5086615 11.64106       0.6430587 11.36530       0.8314017 0.4354172      1.554708  
1 1 1 32  2  9  o 11.02907 0.9023989 1.236874       0.1965637 1.364542       0.2675584 1.087170       0.2897297 1.261401       1.804798  
1 1 1 32  2  10 o 17.57719 0.6469118 3.142157       0.2240679 3.503670       0.3044951 2.715200       0.3309102 2.246298       1.293824  
1 1 1 32  2  11 f 5.164296 1.241279  0.2332621      0.1675247 0.3829493      0.2171371 0.1313514E-01  0.2633167 1.828669       2.482558  
1 1 1 32  2  12 f 19.27539 0.6251907 3.756097       0.2389688 4.144750       0.3298360 3.326684       0.3467003 2.124380       1.250381  
1 1 1 32  2  13 o 24.24033 0.6828426 5.880377       0.3123410 5.854940       0.3824679 5.931304       0.5411887 -0.1339054     1.365685  
1 1 1 32  2  14 o 13.18358 0.9413864 1.757855       0.2424218 1.796013       0.3129327 1.700587       0.3833623 0.3769150      1.882773  
1 1 1 32  2  15 f 15.64611 0.6984981 2.466516       0.2169526 2.553375       0.2926977 2.360610       0.3231998 0.6210794      1.396996  
1 1 1 32  2  16 o 34.56512 0.5827522 11.98004       0.4027081 12.32894       0.5686342 11.62897       0.5704003 1.012794       1.165504  
1 1 1 32  2  17 o 34.40648 0.5792016 11.85195       0.3983347 11.42616       0.5523535 12.31335       0.5749887 -1.286057      1.158403  
1 1 1 32  2  18 o 19.67763 0.6289325 3.868201       0.2470438 3.627531       0.3372279 4.146957       0.3629318 -1.315804      1.257865  
1 1 1 32  3  0  o 7.394124 1.176415  0.5624533      0.1703269 0.4397887      0.2288508 0.7147833      0.2550267 -1.798047      2.352831  
1 1 1 32  3  1  o 16.59782 0.6541187 2.759655       0.2170647 2.725992       0.3023480 2.795461       0.3118229 -0.2082062     1.308237  
1 1 1 32  3  2  o 37.43656 0.5867971 14.02052       0.4390511 14.71428       0.6335238 13.37938       0.6090248 1.780365       1.173594  
1 1 1 32  3  3  o 12.81566 0.7570885 1.638420       0.1926723 1.382467       0.2630193 1.934823       0.2830405 -2.152348      1.514177  
1 1 1 32  3  4  o 23.52143 0.5794066 5.532930       0.2709822 6.391623       0.3927214 4.752535       0.3743890 3.482376       1.158813  
1 1 1 32  3  5  o 32.26477 0.8786184 10.45066       0.5667585 10.83119       0.8050840 10.07679       0.7979979 1.167967       1.757237  
1 1 1 32  3  6  o 19.89738 1.001400  3.954143       0.3965448 3.445076       0.5395082 4.552326       0.5848272 -2.774147      2.002799  
1 1 1 32  3  7  f 23.68803 0.5704586 5.628644       0.2698836 5.895071       0.3786187 5.353445       0.3848026 1.143915       1.140917  
1 1 1 32  3  8  o 15.74589 0.6673247 2.571529       0.2021182 3.241794       0.2787956 1.828984       0.2934434 4.488132       1.334649  
1 1 1 32  3  9  o 15.19292 0.6812383 2.361843       0.2027498 2.738518       0.2767580 1.925516       0.2978672 2.678414       1.362477  
1 1 1 32  3  10 o 8.204008 1.055017  0.6841693      0.1671844 0.6600578      0.2181309 0.7185001      0.2602841 -0.2019901     2.110034  
1 1 1 32  3  11 o 10.01174 0.8934598 0.9818953      0.1765096 0.8069307      0.2304989 1.229967       0.2744617 -2.104014      1.786920  
1 1 1 32  3  12 o 28.47852 0.5609290 8.129530       0.3192002 8.209922       0.4433621 8.043018       0.4599279 0.2950954      1.121858  
1 1 1 32  3  13 o 45.86473 0.6337645 21.07678       0.5811809 21.64306       0.8338563 20.54181       0.8104702 1.197250       1.267529  
1 1 1 32  3  14 o 23.69440 0.5781274 5.637465       0.2733093 5.825051       0.3777136 5.431310       0.3959678 0.8333035      1.156255  
1 1 1 32  3  15 o 32.35091 0.7464417 10.51567       0.4823967 11.05858       0.6804447 9.967079       0.6839931 1.687603       1.492883  
1 1 1 32  3  16 o 21.02525 0.6076056 4.424656       0.2548810 4.329168       0.3469717 4.536578       0.3756459 -0.4888439     1.215211  
1 1 1 32  3  17 o 22.67701 0.6031706 5.183547       0.2712668 5.957833       0.3838045 4.410674       0.3834541 3.411245       1.206341  
1 1 1 32  3  18 o 50.91058 0.9720005 26.12650       0.9884341 24.95562       1.410189  27.25729       1.385843  -2.266487      1.944001  
1 1 1 32  4  0  o 15.04526 0.6635814 2.249922       0.1979816 1.870245       0.2681537 2.704896       0.2935420 -2.770933      1.327163  
1 1 1 32  4  1  f 17.39897 0.6142377 3.036782       0.2134616 3.147070       0.2981496 2.920795       0.3057546 0.6510696      1.228475  
1 1 1 32  4  2  o 36.17273 0.5799200 13.09903       0.4194126 13.54657       0.6008852 12.67385       0.5856848 1.204765       1.159840  
1 1 1 32  4  3  o 40.15548 0.9167354 16.19335       0.7360432 16.24357       1.030006  16.14094       1.052193  0.1313858      1.833471  
1 1 1 32  4  4  o 19.43587 1.062371  3.791735       0.4117933 3.409245       0.5699560 4.209445       0.5956184 -2.053749      2.124743  
1 1 1 32  4  5  o 61.91456 0.7526173 38.42225       0.9315060 37.76863       1.293393  39.12664       1.342687  -1.090000      1.505235  
1 1 1 32  4  6  o 34.36625 0.5615962 11.82121       0.3855676 11.65482       0.5312542 12.00640       0.5604679 -0.5084839     1.123192  
1 1 1 32  4  7  o 45.66199 0.6278490 20.86225       0.5729195 21.93180       0.8288072 19.88350       0.7928497 2.238533       1.255698  
1 1 1 32  4  8  o 26.71564 0.5457181 7.145574       0.2911852 7.082324       0.4006321 7.216401       0.4239529 -0.2484055     1.091436  
1 1 1 32  4  9  o 30.79101 0.5550463 9.507207       0.3413288 9.717316       0.4735992 9.280111       0.4923717 0.7120476      1.110093  
1 1 1 32  4  10 o 41.69408 0.6016682 17.35860       0.5005627 16.52959       0.6802377 18.33767       0.7392429 -2.160702      1.203336  
1 1 1 32  4  11 o 22.73128 0.5563058 5.163021       0.2523843 4.969881       0.3437754 5.388825       0.3717097 -0.9180374     1.112612  
1 1 1 32  4  12 o 26.19186 0.5510405 6.878711       0.2883907 7.045137       0.4025375 6.703207       0.4133704 0.6540565      1.102081  
1 1 1 32  4  13 o 17.92884 0.5992500 3.214319       0.2140882 3.139279       0.2891492 3.305371       0.3185084 -0.4592361     1.198500  
1 1 1 32  4  14 o 51.73389 0.6745181 26.76665       0.6966941 28.15664       1.022888  25.56384       0.9515263 2.494648       1.349036  
1 1 1 32  4  15 o 47.45648 0.6451333 22.58721       0.6123043 22.73387       0.8657358 22.44041       0.8661225 0.3092575      1.290267  
1 1 1 32  4  16 o 29.60327 0.7175739 8.791876       0.4237103 9.687972       0.6080007 7.945755       0.5908030 2.939535       1.435148  
1 1 1 32  4  17 o 52.60909 1.262310  28.07908       1.260778  27.66904       2.142962  28.29615       1.559177  -0.7737885     2.524621  
1 1 1 32  4  18 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  5  0  o 19.58980 0.9746234 0.000000       0.000000  ?              ?         3.846596       0.3818534 ?              ?         
1 1 1 32  5  1  o 22.40121 1.465427  0.000000       0.000000  ?              ?         5.044964       0.6565467 ?              ?         
1 1 1 32  5  2  o 21.84553 0.8377342 4.868178       0.3006142 4.929832       0.3404235 4.649849       0.6406124 0.6828384      1.675468  
1 1 1 32  5  3  o 13.25368 0.6577610 1.744549       0.1732351 1.628848       0.2297283 1.897077       0.2637665 -1.007946      1.315522  
1 1 1 32  5  4  o 9.310519 0.7697525 0.8751321      0.1380699 0.8912638      0.1742279 0.8478985      0.2263759 0.2399769      1.539505  
1 1 1 32  5  5  o 32.60869 0.5500549 10.64184       0.3583674 10.47952       0.4942201 10.82181       0.5204095 -0.5222015     1.100110  
1 1 1 32  5  6  o 28.91308 0.5379866 8.373107       0.3108744 8.383466       0.4317000 8.361948       0.4480408 0.3888702E-01  1.075973  
1 1 1 32  5  7  o 10.68240 0.7074023 1.159751       0.1484175 1.243725       0.1967999 1.049003       0.2260060 0.9154520      1.414805  
1 1 1 32  5  8  o 9.689566 0.7665745 0.9579052      0.1449354 1.028041       0.1897338 0.8596378      0.2245848 0.8742533      1.533149  
1 1 1 32  5  9  o 39.42701 0.5822288 15.55559       0.4587175 15.11299       0.6329358 16.04528       0.6657569 -1.178360      1.164458  
1 1 1 32  5  10 o 20.36197 0.5442243 4.153685       0.2209285 4.152609       0.3007098 4.154945       0.3256598 -0.2735138E-02 1.088449  
1 1 1 32  5  11 o 20.86968 0.5482627 4.333616       0.2277952 4.065611       0.3048856 4.672276       0.3427265 -1.448849      1.096525  
1 1 1 32  5  12 o 36.22323 0.5726305 13.15019       0.4147860 13.31700       0.5840557 12.98045       0.5891695 0.4651985      1.145261  
1 1 1 32  5  13 o 43.93943 0.6207832 19.29844       0.5447399 20.58583       0.7955607 18.16205       0.7474455 2.751244       1.241566  
1 1 1 32  5  14 o 25.42444 1.388738  0.000000       0.000000  ?              ?         6.506290       0.7061577 ?              ?         
1 1 1 32  5  15 o 28.43795 0.9770617 8.098652       0.5540978 8.974705       0.8163433 7.350252       0.7545275 2.840902       1.954123  
1 1 1 32  5  16 o 55.20724 1.055920  30.71337       1.165874  30.50885       1.644640  30.91996       1.652981  -0.3701668     2.111840  
1 1 1 32  5  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  6  0  o 32.53200 0.7787575 10.73159       0.4385632 10.85068       0.5078070 10.38206       0.8699810 0.7679825      1.557515  
1 1 1 32  6  1  o 20.02118 0.5704672 4.066786       0.2244840 4.354221       0.2979483 3.689384       0.3414076 1.664661       1.140934  
1 1 1 32  6  2  o 33.27552 0.6732534 11.09727       0.4479902 11.07392       0.6278437 11.12149       0.6394226 -0.7009125E-01 1.346507  
1 1 1 32  6  3  o 26.12364 0.5634384 6.828740       0.2918018 6.885288       0.4438273 6.785685       0.3872703 0.1849575      1.126877  
1 1 1 32  6  4  o 46.10466 0.6226005 21.29109       0.5739310 20.98559       0.8001679 21.61479       0.8236638 -0.6796913     1.245201  
1 1 1 32  6  5  o 11.54347 0.5620652 1.308918       0.1282264 1.068894       0.1694954 1.630116       0.1960730 -2.428088      1.124130  
1 1 1 32  6  6  o 47.00231 0.6305274 22.13896       0.5926971 22.41961       0.8424926 21.86396       0.8339728 0.5900345      1.261055  
1 1 1 32  6  7  o 19.92791 0.8747683 3.975606       0.2534288 3.969795       0.2759228 4.006949       0.6408225 -0.3406334E-01 1.749537  
1 1 1 32  6  8  f 5.877000 1.135308  0.4753734      0.1000478 0.5163455      0.1019510 -0.5913907     0.5202134 2.607045       2.270616  
1 1 1 32  6  9  f 20.21262 0.6969897 4.091591       0.2817597 4.091591       0.2817597 ?              ?         ?              ?         
1 1 1 32  6  10 o 42.29313 1.935819  0.000000       0.000000  ?              ?         18.09885       1.637437  ?              ?         
1 1 1 32  6  11 o 60.49410 0.7396392 36.72017       0.8948654 36.72497       1.262491  36.71533       1.268593  0.8956909E-02  1.479278  
1 1 1 32  6  12 o 15.97535 1.177310  3.139525       0.2300392 3.338445       0.2478857 1.905370       0.6174441 4.565241       2.354621  
1 1 1 32  6  13 o 45.47900 0.6241975 20.73715       0.5677504 20.81947       0.8020583 20.65448       0.8037852 0.1816483      1.248395  
1 1 1 32  6  14 o 19.09453 1.210080  3.684207       0.4617558 3.701922       0.6413550 3.665141       0.6653481 0.1035213      2.420160  
1 1 1 32  6  15 o 35.78255 0.9728765 12.89062       0.6961704 12.78865       0.9889944 12.99077       0.9801326 -0.2845764     1.945753  
1 1 1 32  6  16 o 20.83501 1.156063  4.370871       0.4811673 4.622873       0.7005673 4.145841       0.6620148 1.133886       2.312126  
1 1 1 32  6  17 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  7  0  o 42.24723 0.9842539 17.91391       0.8304210 17.57477       1.139485  18.29804       1.212719  -0.8432770     1.968508  
1 1 1 32  7  1  o 37.12242 1.303114  14.16540       0.8659083 14.51907       1.025630  13.28767       1.615744  1.789967       2.606227  
1 1 1 32  7  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  7  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  7  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  7  5  o 40.96629 0.9975135 16.83661       0.8163353 16.03583       1.122495  17.73562       1.189348  -2.061546      1.995027  
1 1 1 32  7  6  f 39.03643 0.9759532 15.31488       0.7616279 15.95804       1.087335  14.69537       1.067158  1.613365       1.951906  
1 1 1 32  7  7  o 18.82804 1.231683  3.588271       0.4618400 3.751981       0.6342906 3.403543       0.6737772 0.9351292      2.463365  
1 1 1 32  7  8  o 28.16745 1.002167  8.003615       0.5626186 8.722898       0.7929667 7.274467       0.7983866 2.572273       2.004333  
1 1 1 32  7  9  o 15.72557 1.421411  2.514008       0.4443505 2.605852       0.6032569 2.405074       0.6569890 0.6554050      2.842823  
1 1 1 32  7  10 o 31.33313 0.9967453 9.866797       0.6239679 9.638732       0.8592945 10.12118       0.9075276 -0.7592773     1.993491  
1 1 1 32  7  11 o 8.324652 1.912050  0.6277211      0.4074570 1.093336       0.5505117 0.6364577E-01  0.6059288 3.665711       3.824099  
1 1 1 32  7  12 o 60.84480 1.124758  37.30779       1.368106  36.67836       1.901034  37.98400       1.970418  -1.054813      2.249516  
1 1 1 32  7  13 o 20.47828 1.173123  4.230019       0.4802721 4.081821       0.6688422 4.387774       0.6900698 -0.7409420     2.346247  
1 1 1 32  7  14 f 11.99426 1.785682  1.525528       0.4231897 1.934909       0.5928573 1.100237       0.6042669 3.605393       3.571363  
1 1 1 32  7  15 o 18.67456 1.278327  3.509105       0.4759668 3.157857       0.6497593 3.915833       0.6991933 -2.014029      2.556654  
1 1 1 32  7  16 o 17.27248 1.991890  3.025446       0.6880973 3.025446       0.6880973 ?              ?         ?              ?         
1 1 1 32  8  0  o 54.02979 1.074979  29.14970       1.156367  27.22434       1.547967  31.58077       1.739426  -3.994881      2.149957  
1 1 1 32  8  1  f 39.77371 0.9894518 15.86924       0.7858025 15.41423       1.075328  16.39065       1.151125  -1.213913      1.978904  
1 1 1 32  8  2  o 37.26024 0.9887104 13.92140       0.7352930 15.23613       1.066145  12.72878       1.015431  3.355370       1.977421  
1 1 1 32  8  3  o 42.83011 1.008855  18.43680       0.8637426 19.28863       1.234817  17.62071       1.208636  1.942081       2.017710  
1 1 1 32  8  4  f 13.40601 2.412225  1.880442       0.6232043 1.880442       0.6232043 ?              ?         ?              ?         
1 1 1 32  8  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  8  6  o 12.38696 2.559778  0.000000       0.000000  ?              ?         1.618948       0.6125790 ?              ?         
1 1 1 32  8  7  o 19.53563 1.228776  3.845420       0.4795603 3.729578       0.6595016 3.975399       0.6985862 -0.6188202     2.457553  
1 1 1 32  8  8  o 19.78130 1.245025  3.901296       0.4862287 3.109420       0.6520790 4.892955       0.7297143 -4.486696      2.490050  
1 1 1 32  8  9  o 15.59384 1.438549  2.451959       0.4475972 2.253733       0.6109278 2.681663       0.6576473 -1.357292      2.877097  
1 1 1 32  8  10 o 40.23072 1.004357  16.22086       0.8062162 15.32245       1.095172  17.28372       1.191195  -2.415977      2.008713  
1 1 1 32  8  11 o 27.78539 1.070828  7.797751       0.5935050 8.188347       0.8246962 7.378122       0.8547986 1.465431       2.141656  
1 1 1 32  8  12 o 44.01784 1.022043  19.44878       0.8982350 18.31898       1.228461  20.74674       1.316719  -2.735916      2.044085  
1 1 1 32  8  13 o 44.44064 1.011451  19.89100       0.8988295 19.74410       1.257453  20.04447       1.285277  -0.3308372     2.022901  
1 1 1 32  8  14 o 24.40168 1.112487  6.002100       0.5423614 5.629359       0.7576696 6.393816       0.7767147 -1.561207      2.224974  
1 1 1 32  8  15 o 21.03589 1.701854  4.343600       0.6289532 4.165819       0.7255699 4.880986       1.261474  -1.477921      3.403707  
1 1 1 32  9  0  f 27.81391 1.052653  7.780746       0.5853748 8.047616       0.8313154 7.518287       0.8244178 0.9502182      2.105307  
1 1 1 32  9  1  o 65.58258 1.194567  43.27465       1.565161  42.03110       2.153582  44.66685       2.278652  -1.981255      2.389134  
1 1 1 32  9  2  o 24.75204 1.091780  6.167849       0.5401716 6.198800       0.7524823 6.134943       0.7758914 0.1339645      2.183561  
1 1 1 32  9  3  o 21.64210 1.186233  4.713378       0.5129583 4.443081       0.7109206 5.006931       0.7408711 -1.295620      2.372465  
1 1 1 32  9  4  o 28.27429 1.069372  8.053543       0.6030208 8.819103       0.8585375 7.308111       0.8471763 2.669600       2.138744  
1 1 1 32  9  5  o 14.74891 1.568123  2.209606       0.4616815 2.271384       0.6393899 2.142309       0.6673390 0.4465723      3.136246  
1 1 1 32  9  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  9  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  9  8  f 21.32409 1.218964  4.601077       0.5184138 4.922379       0.7264173 4.267584       0.7400690 1.538998       2.437928  
1 1 1 32  9  9  o 26.00410 1.110902  6.822171       0.5751800 7.661017       0.8220922 6.017782       0.8050308 3.155348       2.221803  
1 1 1 32  9  10 o 32.47159 1.042489  10.62236       0.6767633 10.77645       0.9484808 10.46253       0.9659335 0.4875793      2.084979  
1 1 1 32  9  11 o 11.51549 2.002033  1.406682       0.4604658 1.159451       0.6348067 1.681203       0.6689260 -2.110532      4.004066  
1 1 1 32  9  12 o 33.88954 1.037613  11.57867       0.7029010 11.96719       0.9913033 11.18581       0.9968238 1.154278       2.075225  
1 1 1 32  9  13 o 55.66450 1.109708  31.21727       1.234489  30.42572       1.705878  32.08757       1.788730  -1.470093      2.219417  
1 1 1 32  9  14 o 35.63062 1.062157  12.78900       0.7560101 12.66930       1.041943  12.92207       1.098628  -0.3398514     2.124313  
1 1 1 32  9  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  10 0  o 15.65349 1.532789  2.490025       0.4771884 2.795928       0.6759769 2.186159       0.6737214 1.947042       3.065579  
1 1 1 32  10 1  o 27.84577 1.081735  7.799248       0.6021851 7.620381       0.8369842 7.991193       0.8670478 -0.6593933     2.163471  
1 1 1 32  10 2  o 30.16884 1.063465  9.172816       0.6406310 9.469139       0.8906854 8.855216       0.9221096 1.024137       2.126931  
1 1 1 32  10 3  o 24.74653 1.163905  6.183932       0.5748504 6.505954       0.8029734 5.845376       0.8233314 1.339470       2.327810  
1 1 1 32  10 4  o 15.62539 1.553262  2.484987       0.4837175 2.658618       0.6745341 2.301167       0.6940427 1.150210       3.106525  
1 1 1 32  10 5  o 36.88724 1.032665  13.71425       0.7609199 14.24842       1.065433  13.15814       1.087101  1.482826       2.065331  
1 1 1 32  10 6  o 41.56039 1.035619  17.39703       0.8603042 17.66836       1.202114  17.11217       1.231734  0.6759491      2.071238  
1 1 1 32  10 7  o 49.95214 1.526343  25.13347       1.524881  25.13347       1.524881  ?              ?         ?              ?         
1 1 1 32  10 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  10 9  f 46.18478 1.068043  21.48157       0.9863127 21.09000       1.376623  21.89458       1.413835  -0.8618011     2.136087  
1 1 1 32  10 10 o 9.415070 2.116316  0.8705906      0.4615885 0.5478834      0.6409878 1.218199       0.6652581 -2.595140      4.232631  
1 1 1 32  10 11 o 27.21851 1.114914  7.466259       0.6061662 7.323420       0.8334420 7.626669       0.8832191 -0.5430508     2.229828  
1 1 1 32  10 12 o 31.91837 1.084247  10.27268       0.6918274 10.32795       0.9653221 10.21432       0.9920070 0.1851101      2.168495  
1 1 1 32  10 13 o 52.55817 1.129748  27.85979       1.186615  29.41798       1.695243  26.36299       1.661520  2.896896       2.259496  
1 1 1 32  10 14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  11 0  o 24.97016 1.136761  6.281972       0.5675730 6.386214       0.7990140 6.175801       0.8063753 0.4229984      2.273522  
1 1 1 32  11 1  o 64.95927 1.207060  42.53980       1.567993  43.49532       2.233701  41.61155       2.201601  1.442139       2.414120  
1 1 1 32  11 2  o 41.36009 1.050314  17.22389       0.8684027 17.41704       1.213592  17.02122       1.243156  0.4850044      2.100628  
1 1 1 32  11 3  o 43.19778 1.057862  18.79539       0.9132947 19.68613       1.295688  17.91581       1.287539  2.047184       2.115724  
1 1 1 32  11 4  o 22.74412 1.272422  5.245067       0.5761163 5.775529       0.8104177 4.703104       0.8191555 2.360062       2.544845  
1 1 1 32  11 5  o 65.77432 1.227695  43.66282       1.614567  43.40469       2.254037  43.93482       2.313821  -0.3868027     2.455391  
1 1 1 32  11 6  o 8.092344 2.146403  0.5142145      0.4697697 0.5304348      0.6511875 0.4966126      0.6783543 0.2087498E-01  4.292807  
1 1 1 32  11 7  o 18.59978 1.462411  3.555964       0.5343218 4.249945       0.7482829 2.833985       0.7632289 3.811295       2.924821  
1 1 1 32  11 8  o 47.98473 1.522462  23.20327       1.461098  23.20327       1.461098  ?              ?         ?              ?         
1 1 1 32  11 9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  11 10 o 42.89016 1.281067  18.54338       1.048685  18.83735       1.776100  18.38604       1.299357  0.3738670      2.562134  
1 1 1 32  11 11 o 25.52173 1.200552  6.584839       0.6119604 6.968642       0.8644895 6.199338       0.8663990 1.507713       2.401104  
1 1 1 32  11 12 o 49.72799 1.555802  24.93910       1.547338  24.93910       1.547338  ?              ?         ?              ?         
1 1 1 32  12 0  o 44.15157 1.072790  19.63186       0.9470385 20.18176       1.340024  19.08313       1.338607  1.243832       2.145579  
1 1 1 32  12 1  o 11.43051 2.077346  1.388618       0.4760353 1.350783       0.6430027 1.434505       0.7081313 -0.3342800     4.154692  
1 1 1 32  12 2  o 55.64760 1.138907  31.21922       1.267049  31.17970       1.766794  31.26107       1.818062  -0.6007385E-01 2.277814  
1 1 1 32  12 3  o 22.70712 1.262015  5.226975       0.5707168 5.689403       0.7993897 4.746229       0.8150697 2.081175       2.524030  
1 1 1 32  12 4  o 8.436285 2.148963  0.5701995      0.4809354 0.9312588      0.6884692 0.2260885      0.6721165 2.387488       4.297927  
1 1 1 32  12 5  o 22.33781 1.304318  5.064968       0.5798015 5.581707       0.8141522 4.533207       0.8259004 2.350368       2.608636  
1 1 1 32  12 6  o 34.01744 1.099087  11.65172       0.7473484 11.28940       1.036218  12.04450       1.078894  -1.098961      2.198174  
1 1 1 32  12 7  o 31.62962 1.123050  9.970060       0.7059103 9.013496       0.9364872 11.22875       1.074247  -3.464439      2.246100  
1 1 1 32  12 8  o 35.12341 1.096124  12.44550       0.7689436 13.28817       1.094233  11.62340       1.080792  2.366177       2.192248  
1 1 1 32  12 9  f 19.16878 1.774507  3.765631       0.6386945 3.785313       0.7810608 3.725909       1.109603  0.2974491      3.549015  
1 1 1 32  12 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  12 11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  13 0  o 25.54670 1.233598  6.556382       0.6286809 6.117672       0.8532478 7.077415       0.9298631 -1.857395      2.467196  
1 1 1 32  13 1  o 8.850418 2.236585  0.6982340      0.5019465 0.6695340      0.6954421 0.7294436      0.7252126 -0.2816687     4.473171  
1 1 1 32  13 2  o 19.74756 1.429983  3.948312       0.5644028 3.911087       0.7825712 3.988664       0.8147745 -0.1861916     2.859965  
1 1 1 32  13 3  o 12.61983 1.948872  1.633034       0.4962749 0.9912396      0.6685027 2.420976       0.7407171 -5.595117      3.897743  
1 1 1 32  13 4  o 26.99462 1.193905  7.381503       0.6409417 7.642914       0.8711699 7.073029       0.9463466 1.076353       2.387810  
1 1 1 32  13 5  o 24.32692 1.280820  6.004953       0.6186583 6.879725       0.8798111 5.149387       0.8700997 3.553461       2.561640  
1 1 1 32  13 6  o 21.45515 1.395166  4.663054       0.5975939 4.609230       0.8188719 4.724380       0.8740777 -0.2490959     2.790332  
1 1 1 32  13 7  f 49.50200 1.128193  24.62948       1.114316  23.36690       1.513527  26.12391       1.646636  -2.747017      2.256386  
1 1 1 32  13 8  o 26.59002 1.225309  7.074686       0.6482762 6.454660       0.8653414 7.867777       0.9786883 -2.623278      2.450618  
1 1 1 32  13 9  o 25.20269 1.777740  6.421995       0.8960768 6.421995       0.8960768 ?              ?         ?              ?         
1 1 1 32  13 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  14 0  o 24.77954 1.284709  6.192141       0.6356074 5.706997       0.8792747 6.723114       0.9198679 -2.038591      2.569417  
1 1 1 32  14 1  o 11.91336 1.963324  1.376037       0.5119800 2.538932       0.7773336 0.4850666      0.6804068 7.732212       3.926648  
1 1 1 32  14 2  o 9.971750 2.206909  0.9870166      0.5123182 1.426171       0.7232929 0.5448508      0.7257681 3.170226       4.413819  
1 1 1 32  14 3  f 37.21384 1.121043  13.99180       0.8326684 14.45259       1.153991  13.49132       1.202658  1.304741       2.242085  
1 1 1 32  14 4  o 11.45615 2.209070  1.396820       0.5202623 1.534058       0.7576314 1.274357       0.7156833 1.007146       4.418140  
1 1 1 32  14 5  f 32.26684 1.153183  10.52169       0.7431126 10.78496       1.031921  10.23810       1.071008  0.8587189      2.306366  
1 1 1 32  14 6  f 41.04266 1.132181  16.92565       0.9270311 16.05585       1.257779  17.96006       1.371650  -2.288227      2.264362  
1 1 1 32  14 7  o 8.038863 3.212772  0.3633482      0.7792974 0.3633482      0.7792974 ?              ?         ?              ?         
1 1 1 32  14 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  15 0  f 24.99179 1.316550  6.290111       0.6539729 5.372180       0.8947809 7.342742       0.9581858 -3.922426      2.633101  
1 1 1 32  15 1  o 22.60483 1.375574  5.111550       0.6169840 4.327557       0.8255987 6.103237       0.9285386 -3.892609      2.751148  
1 1 1 32  15 2  o 9.248431 2.275064  0.7985625      0.5250545 1.023880       0.7169467 0.5379326      0.7710835 1.500622       4.550128  
1 1 1 32  15 3  o 12.89790 2.141257  1.754267       0.5536288 1.171057       0.7516835 2.445720       0.8184722 -4.617270      4.282514  
1 1 1 32  15 4  o 25.80386 1.276581  6.728873       0.6555991 7.653908       0.9450506 5.870723       0.9102429 3.444471       2.553162  
1 1 1 32  15 5  o 21.43673 2.949643  4.734978       1.264614  4.734978       1.264614  ?              ?         ?              ?         
1 1 1 32  15 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  16 0  o 21.64925 1.482085  4.741605       0.6388515 4.149992       0.8772259 5.409728       0.9322252 -2.889194      2.964169  
1 1 1 32  16 1  f 26.78885 1.332040  7.285243       0.7115045 7.661732       0.9866365 6.877308       1.027017  1.477201       2.664081  
1 1 1 32  16 2  o 20.13483 2.224051  4.123618       0.8956180 4.123618       0.8956180 ?              ?         ?              ?         
1 1 1 32  16 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  16 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  17 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 32  17 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  0  0  o 51.64909 0.9580328 26.77728       0.9876764 26.30168       1.372124  27.28867       1.422826  -0.000000      0.000000  
1 1 1 33  0  1  o 43.73363 0.8800200 19.18706       0.7677147 18.65817       1.059698  19.77127       1.113743  -0.000000      0.000000  
1 1 1 33  0  2  o 5.313975 1.918536  0.4193395      0.2556845 0.4629008      0.3611945 0.3755858      0.3619917 -0.000000      0.000000  
1 1 1 33  0  3  o 36.39286 0.8282724 13.29863       0.6012028 12.93417       0.8346123 13.69170       0.8667570 -0.000000      0.000000  
1 1 1 33  0  4  o 34.28084 0.8206932 11.81241       0.5612246 11.64916       0.7880665 11.98040       0.7994385 -0.000000      0.000000  
1 1 1 33  0  5  f 45.76114 1.271742  21.03701       1.161940  21.03701       1.161940  21.03701       1.161940  -0.000000      0.000000  
1 1 1 33  0  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  0  7  o 18.10746 1.317140  3.339219       0.4719507 3.339219       0.4719507 3.339219       0.4719507 -0.000000      0.000000  
1 1 1 33  0  8  o 26.61906 0.8242465 7.112658       0.4361062 7.671865       0.6408122 6.630218       0.5952047 -0.000000      0.000000  
1 1 1 33  0  9  o 26.02127 0.8410401 6.832440       0.4346631 6.247660       0.6101774 7.434909       0.6193377 -0.000000      0.000000  
1 1 1 33  0  10 o 32.77288 0.8332377 10.80761       0.5443169 10.37025       0.7673515 11.25054       0.7722325 -0.000000      0.000000  
1 1 1 33  0  11 o 6.467097 1.981515  0.5665537      0.2921359 0.9011897      0.4350098 0.2916580      0.3942728 -0.000000      0.000000  
1 1 1 33  0  12 o 44.60682 0.8983372 19.97880       0.7993387 20.54277       1.159490  19.46802       1.103461  -0.000000      0.000000  
1 1 1 33  0  13 f 33.83344 0.8095726 11.48763       0.5443799 11.79234       0.8100785 11.23671       0.7351089 -0.000000      0.000000  
1 1 1 33  0  14 o 5.213091 1.859064  0.3985387      0.2604850 0.1664212      0.4131320 0.5517080      0.3355991 -0.000000      0.000000  
1 1 1 33  0  15 o 20.25344 1.100831  4.093017       0.4216701 3.870077       0.5191802 4.525095       0.7227794 -0.000000      0.000000  
1 1 1 33  1  0  o 21.50543 0.6050854 4.627675       0.2599029 4.978725       0.3741879 4.300446       0.3612687 1.575598       1.210171  
1 1 1 33  1  1  o 33.10790 0.5768759 10.97017       0.3818097 11.36104       0.5496565 10.60572       0.5307600 1.138699       1.153752  
1 1 1 33  1  2  o 37.86282 0.5909594 14.35607       0.4474017 14.76965       0.6400850 13.96100       0.6256064 1.066265       1.181919  
1 1 1 33  1  3  f 28.13537 0.5748619 7.924019       0.3233454 7.643844       0.4503685 8.222076       0.4645187 -1.026012      1.149724  
1 1 1 33  1  4  o 16.55835 1.018721  2.741765       0.3317110 2.107385       0.4502645 3.494707       0.4905394 -4.181165      2.037442  
1 1 1 33  1  5  o 19.08643 0.8143054 3.737605       0.2864811 3.876216       0.3474036 3.443027       0.5064494 1.159969       1.628611  
1 1 1 33  1  6  o 61.22954 0.7491832 37.61029       0.9174010 37.97419       1.304933  37.25468       1.289998  0.5852394      1.498366  
1 1 1 33  1  7  o 39.09939 0.7271184 15.13971       0.5352693 14.76527       0.6508693 15.92214       0.9408485 -1.433453      1.454237  
1 1 1 33  1  8  o 38.58762 0.8320585 14.89116       0.6407591 16.16871       0.9414573 13.78867       0.8745748 3.071545       1.664117  
1 1 1 33  1  9  o 31.82651 0.5847880 10.12244       0.3716649 9.424786       0.5113324 10.90388       0.5411621 -2.319830      1.169576  
1 1 1 33  1  10 o 5.998280 1.400320  0.3452528      0.1960679 0.2902710      0.2741811 0.4027942      0.2804902 -0.6755452     2.800640  
1 1 1 33  1  11 o 35.74389 0.6374679 12.87540       0.4522810 12.20503       0.6719440 13.43070       0.6115561 -1.723495      1.274936  
1 1 1 33  1  12 f 50.23102 0.6622045 25.30893       0.6652578 25.44742       0.9411569 25.17064       0.9404768 0.2753906      1.324409  
1 1 1 33  1  13 o 49.03435 0.6567384 24.06135       0.6432753 25.32571       0.9379643 22.93854       0.8838983 2.425266       1.313477  
1 1 1 33  1  14 o 43.14550 0.6196870 18.65924       0.5345856 18.44848       0.7456943 18.88209       0.7667830 -0.4993057     1.239374  
1 1 1 33  1  15 o 56.63261 0.9231242 32.43177       1.033278  33.43743       1.373040  31.11849       1.569051  2.092907       1.846248  
1 1 1 33  2  0  o 19.73301 0.6107999 3.900700       0.2409618 3.750275       0.3384707 4.055286       0.3431198 -0.7723331     1.221600  
1 1 1 33  2  1  o 60.01943 0.7386680 36.11892       0.8865730 36.50714       1.266279  35.74563       1.241690  0.6310463      1.477336  
1 1 1 33  2  2  o 33.01674 0.8584447 10.94478       0.5667688 10.98927       0.7953252 10.89888       0.8078867 0.1389198      1.716889  
1 1 1 33  2  3  o 17.66149 0.8546460 3.113374       0.2701453 3.090654       0.3171748 3.173403       0.5155532 -0.2019825     1.709292  
1 1 1 33  2  4  o 45.92952 0.6324117 21.13190       0.5807725 21.77068       0.8316458 20.52385       0.8114008 1.354774       1.264823  
1 1 1 33  2  5  o 11.81266 0.8332734 1.386485       0.1958487 1.241456       0.2620632 1.569953       0.2947538 -1.384974      1.666547  
1 1 1 33  2  6  o 7.298761 1.255845  0.5662988      0.1826612 0.6579353      0.2483350 0.4582810      0.2696196 1.278533       2.511689  
1 1 1 33  2  7  o 18.42198 0.6371348 3.390788       0.2343146 3.138157       0.3214492 3.677209       0.3422718 -1.460121      1.274270  
1 1 1 33  2  8  o 29.52960 0.5724863 8.731743       0.3378307 9.242455       0.4842567 8.247527       0.4715270 1.683012       1.144973  
1 1 1 33  2  9  o 8.854089 1.308885  0.8010063      0.2234999 0.6353233      0.2941234 1.027403       0.3438154 -2.162432      2.617770  
1 1 1 33  2  10 o 8.589661 1.135794  0.7674559      0.1879179 0.7483561      0.2635032 0.7872233      0.2680677 -0.2226381     2.271588  
1 1 1 33  2  11 o 28.53895 0.5617546 8.118784       0.3196875 7.609678       0.4322630 8.733432       0.4749600 -1.963146      1.123509  
1 1 1 33  2  12 o 36.15886 0.5766292 13.10711       0.4169443 13.31052       0.5881280 12.90158       0.5911804 0.5659103      1.153258  
1 1 1 33  2  13 o 33.50610 0.5714161 11.24371       0.3825810 11.05588       0.5283046 11.45083       0.5547674 -0.5855827     1.142832  
1 1 1 33  2  14 f 32.43567 0.5747346 10.53482       0.3724663 11.22022       0.5350075 9.890183       0.5188574 2.047998       1.149469  
1 1 1 33  2  15 o 46.68447 0.9209983 21.89616       0.8571140 22.30740       1.269472  21.55164       1.161938  0.7841797      1.841997  
1 1 1 33  3  0  o 20.38797 0.9887176 4.197800       0.4003009 4.762387       0.5654649 3.630626       0.5667592 2.775789       1.977435  
1 1 1 33  3  1  o 19.92025 0.8246769 3.939194       0.2859688 3.895453       0.3302231 4.070373       0.5718608 -0.4030590     1.649354  
1 1 1 33  3  2  o 47.64746 0.6429923 22.72776       0.6122603 22.12687       0.8457392 23.38946       0.8875036 -1.319771      1.285985  
1 1 1 33  3  3  o 39.22588 0.5917687 15.41711       0.4642365 15.46426       0.6543838 15.36933       0.6586967 0.1215134      1.183537  
1 1 1 33  3  4  o 36.05730 0.5807465 12.89793       0.4165877 11.77690       0.5555413 14.33817       0.6296890 -3.543079      1.161493  
1 1 1 33  3  5  o 46.11060 0.6326124 21.30725       0.5832884 21.14804       0.8156247 21.47391       0.8344875 -0.3509369     1.265225  
1 1 1 33  3  6  o 18.01349 0.6280568 3.259968       0.2257412 3.409729       0.3137322 3.099195       0.3250616 0.8634739      1.256114  
1 1 1 33  3  7  o 37.15118 0.6355968 13.72039       0.4648270 14.47964       0.7330874 13.20990       0.6011127 1.690144       1.271194  
1 1 1 33  3  8  o 34.41936 0.5696239 11.87097       0.3917970 12.52232       0.5578451 11.23690       0.5503992 1.866352       1.139248  
1 1 1 33  3  9  o 48.64351 0.6492772 23.67869       0.6310320 24.83273       0.9173203 22.64200       0.8694321 2.244900       1.298554  
1 1 1 33  3  10 o 37.66532 0.6860421 14.24777       0.4939810 14.29051       0.6147215 14.16986       0.8299552 0.1937027      1.372084  
1 1 1 33  3  11 o 33.77808 0.7372023 11.45026       0.4974223 11.42506       0.6864256 11.47811       0.7218319 -0.7228470E-01 1.474405  
1 1 1 33  3  12 o 18.27993 0.6078265 3.343504       0.2214602 3.271809       0.2996251 3.429833       0.3287860 -0.4277744     1.215653  
1 1 1 33  3  13 o 32.67326 0.5659539 10.65629       0.3690154 10.05268       0.5019629 11.36614       0.5443428 -2.004068      1.131908  
1 1 1 33  3  14 o 28.48132 0.7567117 7.972996       0.3863562 8.531026       0.7439272 7.766893       0.4521094 1.288174       1.513423  
1 1 1 33  3  15 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  4  0  o 37.62016 0.5880329 14.15560       0.4420478 13.63683       0.6097373 14.73035       0.6417940 -1.449902      1.176066  
1 1 1 33  4  1  o 17.81813 0.6180607 3.183660       0.2200935 3.274862       0.3085852 3.089226       0.3140041 0.5215569      1.236121  
1 1 1 33  4  2  o 60.06348 0.7374717 36.18492       0.8858970 36.26031       1.251552  36.10921       1.254147  0.1261559      1.474943  
1 1 1 33  4  3  f 37.89995 0.5801517 14.38807       0.4396959 14.71223       0.6267123 14.07383       0.6170481 0.8411102      1.160303  
1 1 1 33  4  4  o 27.24887 0.5508897 7.426470       0.2999509 7.178453       0.4135669 7.701727       0.4356863 -0.9577332     1.101779  
1 1 1 33  4  5  o 24.26461 0.5433689 5.870019       0.2628505 5.566503       0.3548586 6.238988       0.3912544 -1.381617      1.086738  
1 1 1 33  4  6  o 9.361925 0.8405161 0.8797539      0.1533188 0.8778015      0.1957826 0.8828502      0.2465384 -0.1760387E-01 1.681032  
1 1 1 33  4  7  o 13.52843 0.6592992 1.860700       0.1754554 2.016880       0.2344793 1.661993       0.2644841 1.315991       1.318598  
1 1 1 33  4  8  o 55.56271 0.6981776 30.95666       0.7757356 31.56959       1.108396  30.36819       1.086057  1.077686       1.396355  
1 1 1 33  4  9  o 22.42886 0.5569106 5.054818       0.2491009 5.374808       0.3475660 4.716852       0.3571951 1.467968       1.113821  
1 1 1 33  4  10 o 20.64065 0.5643470 4.260372       0.2321138 4.170186       0.3136124 4.369622       0.3451689 -0.4789639     1.128694  
1 1 1 33  4  11 f 37.49779 0.6152894 14.11061       0.4573435 14.19645       0.6086457 13.99929       0.6931195 0.2755890      1.230579  
1 1 1 33  4  12 o 10.41540 0.8934927 1.051192       0.1826958 0.8624995      0.2339241 1.346285       0.2925352 -2.309244      1.786985  
1 1 1 33  4  13 o 14.32067 1.438916  2.146032       0.3938371 1.751369       0.5751572 2.494443       0.5404053 -2.786175      2.877832  
1 1 1 33  4  14 o 19.21320 1.140665  3.722756       0.4354151 4.321145       0.6293324 3.173307       0.6030482 2.979660       2.281329  
1 1 1 33  5  0  o 24.65146 0.5522650 6.085059       0.2722112 6.285525       0.3883350 5.891404       0.3816806 0.7986908      1.104530  
1 1 1 33  5  1  o 32.34680 0.5562158 10.47051       0.3596340 10.17046       0.4984957 10.79618       0.5193431 -0.9649467     1.112432  
1 1 1 33  5  2  o 12.26046 0.6997721 1.524933       0.1695681 1.716795       0.2336358 1.311375       0.2464914 1.655130       1.399544  
1 1 1 33  5  3  o 10.88391 0.7345612 1.236966       0.1526363 1.406496       0.1979124 0.9881115      0.2397852 1.927983       1.469122  
1 1 1 33  5  4  o 44.28254 0.6129266 19.62463       0.5424565 20.55255       0.7838626 18.77184       0.7514616 2.006561       1.225853  
1 1 1 33  5  5  o 18.00034 0.5518595 3.236201       0.1977083 3.150362       0.2652844 3.343443       0.2965192 -0.5325871     1.103719  
1 1 1 33  5  6  o 22.86444 0.5273821 5.218343       0.2404525 5.009330       0.3253864 5.469795       0.3568960 -1.003225      1.054764  
1 1 1 33  5  7  o 8.327661 0.8834730 0.7351492      0.1364807 0.8281873      0.1763284 0.5961149      0.2155523 1.518972       1.766946  
1 1 1 33  5  8  o 29.96024 0.5416268 8.987481       0.3243920 8.830983       0.4505050 9.155997       0.4674852 -0.5403614     1.083254  
1 1 1 33  5  9  o 43.36877 0.6089033 18.85346       0.5281082 19.16996       0.7488229 18.54027       0.7449080 0.7254333      1.217807  
1 1 1 33  5  10 o 37.71881 0.5764689 14.25502       0.4345997 14.15129       0.6030043 14.36714       0.6269272 -0.2828369     1.152938  
1 1 1 33  5  11 o 40.80003 0.8704944 16.37607       0.6830342 18.02536       1.157933  15.49596       0.8458676 3.031742       1.740989  
1 1 1 33  5  12 o 5.715304 2.489527  0.000000       0.000000  ?              ?         -0.8260456E-01 0.5332142 ?              ?         
1 1 1 33  5  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  5  14 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  6  0  o 14.84530 0.5519664 2.171216       0.1624358 1.842889       0.2152991 2.605056       0.2474874 -2.563571      1.103933  
1 1 1 33  6  1  o 20.88467 0.5124166 4.358435       0.2137353 4.191353       0.2929657 4.548558       0.3125152 -0.8531933     1.024833  
1 1 1 33  6  2  o 37.11323 0.5662096 13.79424       0.4201366 13.63004       0.5853017 13.96877       0.6034390 -0.4542885     1.132419  
1 1 1 33  6  3  o 26.43047 0.9968241 7.028593       0.5262272 7.083733       0.7272927 6.968009       0.7623391 0.2260475      1.993648  
1 1 1 33  6  4  o 16.24683 1.925700  2.695581       0.5064275 2.654736       0.5735949 2.839988       1.078517  -0.6100845E-01 3.851399  
1 1 1 33  6  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  6  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  6  7  o 36.78994 0.9612894 13.56968       0.7061440 12.82103       0.9658298 14.42947       1.035035  -2.171234      1.922579  
1 1 1 33  6  8  o 29.32197 0.9747223 8.648102       0.5711290 8.596964       0.7904928 8.703949       0.8260786 -0.1745377     1.949445  
1 1 1 33  6  9  o 20.65988 1.135416  4.282589       0.4679269 3.966775       0.6353604 4.656921       0.6917237 -1.655199      2.270831  
1 1 1 33  6  10 o 36.41628 0.9512216 13.34242       0.6924246 13.95752       0.9872370 12.74686       0.9714269 1.658535       1.902443  
1 1 1 33  6  11 o 33.08048 0.9575180 11.01616       0.6334077 11.15078       0.8918946 10.87917       0.8997040 0.4124146      1.915036  
1 1 1 33  6  12 o 23.91291 1.064512  5.723299       0.5066439 4.999999       0.6880848 6.579784       0.7487598 -3.287481      2.129023  
1 1 1 33  6  13 o 42.51947 1.370622  18.19938       1.165562  18.19938       1.165562  ?              ?         ?              ?         
1 1 1 33  7  0  o 34.88691 0.9722627 12.23337       0.6781777 12.66199       0.9659497 11.81673       0.9523708 1.208801       1.944525  
1 1 1 33  7  1  f 35.54950 0.9736003 12.64892       0.6905844 11.86717       0.9383736 13.57256       1.019991  -2.382687      1.947201  
1 1 1 33  7  2  f 36.70951 0.9825438 13.43106       0.7169834 12.52047       0.9521668 14.62350       1.089610  -2.836674      1.965088  
1 1 1 33  7  3  o 31.32345 0.9798605 9.880721       0.6131037 10.31903       0.8607072 9.429228       0.8735546 1.423069       1.959721  
1 1 1 33  7  4  o 39.44024 0.9763069 15.63771       0.7692333 15.42325       1.059683  15.87659       1.118411  -0.5619011     1.952614  
1 1 1 33  7  5  f 28.68299 1.001612  8.277824       0.5741050 8.254689       0.7953240 8.302996       0.8295728 -0.7661247E-01 2.003225  
1 1 1 33  7  6  f 14.57452 1.551043  2.159699       0.4315262 1.602038       0.5786929 2.858188       0.6476537 -4.468749      3.102085  
1 1 1 33  7  7  o 10.88754 1.761843  1.269367       0.4053979 1.916831       0.5622156 0.5681022      0.5851077 5.731187       3.523686  
1 1 1 33  7  8  o 27.57404 1.001582  7.648371       0.5521138 7.477255       0.7671109 7.832278       0.7952636 -0.6371708     2.003163  
1 1 1 33  7  9  o 6.962861 1.916281  0.3041020      0.3870612 0.1738883      0.5406563 0.4410079      0.5543757 -0.9630551     3.832562  
1 1 1 33  7  10 o 23.70252 1.067674  5.666395       0.5058607 5.855979       0.7135414 5.474827       0.7172635 0.8050346      2.135348  
1 1 1 33  7  11 o 9.118728 1.947173  0.7918824      0.4161823 0.3115480      0.5723661 1.330744       0.6062343 -4.109259      3.894346  
1 1 1 33  7  12 o 53.15875 1.063442  28.48178       1.130596  28.76565       1.601668  28.19987       1.596154  0.5307083      2.126884  
1 1 1 33  7  13 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  8  0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  8  1  o 10.36866 1.887877  1.137468       0.4169567 0.6093115      0.5947402 1.647976       0.5847191 -4.317897      3.775754  
1 1 1 33  8  2  o 38.75386 0.9983682 15.11437       0.7736412 15.44421       1.092408  14.78248       1.095788  0.8544998      1.996736  
1 1 1 33  8  3  o 27.47551 1.039482  7.602648       0.5709743 7.683493       0.7988016 7.518193       0.8164465 0.3049145      2.078964  
1 1 1 33  8  4  o 20.92018 1.163206  4.420943       0.4858103 4.667816       0.6817256 4.166219       0.6924797 1.201593       2.326413  
1 1 1 33  8  5  o 34.06505 1.001994  11.45417       0.6761062 9.886196       0.8879465 13.61744       1.042970  -5.442225      2.003989  
1 1 1 33  8  6  o 33.76832 0.9989446 11.47177       0.6736902 11.39682       0.9269114 11.55569       0.9808595 -0.2229996     1.997889  
1 1 1 33  8  7  o 23.00488 1.101637  5.318927       0.5060912 5.031400       0.6932599 5.646989       0.7405171 -1.325771      2.203273  
1 1 1 33  8  8  o 19.01160 1.264173  3.711908       0.4698463 4.575524       0.6618439 2.834484       0.6671135 4.580481       2.528347  
1 1 1 33  8  9  o 19.26347 1.235400  3.738980       0.4749338 3.572628       0.6462518 3.934329       0.7003167 -0.9219513     2.470800  
1 1 1 33  8  10 o 26.21968 1.055835  6.929667       0.5531014 6.965158       0.7661269 6.891032       0.7993364 0.1499805      2.111670  
1 1 1 33  8  11 o 15.43251 1.501363  2.433119       0.4600788 2.574066       0.6266997 2.268361       0.6775736 1.009158       3.002727  
1 1 1 33  8  12 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  9  0  o 26.43897 1.543490  7.041107       0.8161659 7.041107       0.8161659 ?              ?         ?              ?         
1 1 1 33  9  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  9  2  o 19.52473 1.854755  0.000000       0.000000  ?              ?         3.853427       0.7242720 ?              ?         
1 1 1 33  9  3  f 28.35636 1.050782  8.076950       0.5951341 7.726882       0.8163265 8.474092       0.8694792 -1.305227      2.101564  
1 1 1 33  9  4  o 28.16228 1.084441  7.874148       0.6061032 6.762272       0.8061723 9.319757       0.9192315 -4.513306      2.168882  
1 1 1 33  9  5  o 24.29456 1.129092  5.926635       0.5474932 5.513148       0.7473938 6.405457       0.8042762 -1.821747      2.258183  
1 1 1 33  9  6  o 50.67021 1.069649  25.66131       1.078485  23.88433       1.439285  27.93656       1.628620  -3.950890      2.139297  
1 1 1 33  9  7  o 13.35517 1.723001  1.862548       0.4471539 1.976343       0.6094701 1.729884       0.6580641 1.175350       3.446003  
1 1 1 33  9  8  o 16.83731 1.397120  2.841591       0.4639876 2.244209       0.6238173 3.581292       0.6941600 -3.946020      2.794241  
1 1 1 33  9  9  o 14.49167 1.701456  2.230868       0.4667934 2.858323       0.6550639 1.583559       0.6653472 4.608604       3.402912  
1 1 1 33  9  10 o 33.06892 1.045848  11.02558       0.6910421 11.20097       0.9612687 10.83800       0.9941211 0.5572624      2.091697  
1 1 1 33  9  11 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  10 0  o 34.26497 1.038816  11.74923       0.7091647 11.03992       0.9532014 12.62854       1.061306  -2.293083      2.077632  
1 1 1 33  10 1  o 21.98244 1.201258  4.867437       0.5269547 4.757705       0.7182761 4.995337       0.7754571 -0.5253582     2.402516  
1 1 1 33  10 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  10 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  10 4  o 35.38884 1.060374  12.53844       0.7481629 11.41815       1.014627  13.87345       1.107600  -3.446194      2.120749  
1 1 1 33  10 5  o 22.85896 1.236196  5.295845       0.5620991 5.942100       0.7966180 4.655044       0.7932491 2.814220       2.472393  
1 1 1 33  10 6  o 29.52265 1.094021  8.795835       0.6453260 8.961760       0.8982193 8.618819       0.9277546 0.5888672      2.188043  
1 1 1 33  10 7  o 40.84425 1.033647  16.76489       0.8428023 16.11880       1.150073  17.51435       1.238655  -1.685356      2.067294  
1 1 1 33  10 8  o 36.52148 1.038552  13.44155       0.7581774 13.57023       1.057976  13.30569       1.087065  0.3695526      2.077105  
1 1 1 33  10 9  o 12.02641 2.390056  1.669128       0.5756125 1.903087       0.6559636 0.8857947      1.200283  2.822606       4.780112  
1 1 1 33  10 10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  11 0  o 62.64626 1.199173  39.55140       1.500770  38.65142       2.064969  40.55897       2.184927  -1.490593      2.398345  
1 1 1 33  11 1  o 38.18078 1.053768  14.68502       0.8044128 15.07122       1.135444  14.29585       1.139791  1.016426       2.107535  
1 1 1 33  11 2  o 64.17715 1.213386  41.53643       1.556569  43.23173       2.244365  39.96523       2.160663  2.521500       2.426771  
1 1 1 33  11 3  f 21.26424 1.864732  4.574294       0.7930421 4.574294       0.7930421 ?              ?         ?              ?         
1 1 1 33  11 4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  11 5  o 23.81440 1.489226  5.612511       0.6742806 6.238059       1.174295  5.304816       0.8235844 1.828083       2.978451  
1 1 1 33  11 6  o 16.67782 1.539989  2.835131       0.5097474 3.275779       0.7282196 2.411784       0.7137805 2.584777       3.079978  
1 1 1 33  11 7  o 14.64191 1.707978  2.210272       0.4778912 1.609103       0.6477417 2.928381       0.7079443 -4.687571      3.415956  
1 1 1 33  11 8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  12 0  o 34.02081 1.100398  11.65584       0.7483598 11.34555       1.038608  11.99089       1.079242  -0.9380875     2.200795  
1 1 1 33  12 1  f 48.36044 1.103238  23.55282       1.065895  23.06454       1.467600  24.09792       1.550630  -1.046673      2.206475  
1 1 1 33  12 2  o 54.70966 1.143710  30.20597       1.251247  30.82454       1.770064  29.58816       1.768998  1.129646       2.287420  
1 1 1 33  12 3  o 30.31014 1.158407  9.277035       0.7020585 9.472224       0.9902101 9.079741       0.9955326 0.6489983      2.316814  
1 1 1 33  12 4  o 25.97678 1.381661  6.792687       0.6964523 6.651764       0.8798484 7.029137       1.139685  -0.6371994     2.763322  
1 1 1 33  12 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  12 6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  12 7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  13 0  o 15.85135 1.755028  2.609877       0.5400202 2.952374       0.7665846 2.272481       0.7608552 2.360269       3.510055  
1 1 1 33  13 1  o 13.73980 1.907084  1.979979       0.5124989 1.560284       0.7148851 2.423750       0.7351037 -3.345704      3.814167  
1 1 1 33  13 2  o 9.551672 2.146976  0.8262305      0.5071039 1.485794       0.7286819 0.2068174      0.7061547 4.451973       4.293951  
1 1 1 33  13 3  o 14.44663 1.824347  2.174733       0.5141519 1.998630       0.7331018 2.345204       0.7212835 -1.440285      3.648695  
1 1 1 33  13 4  o 26.39312 1.685488  7.034954       0.8897060 7.034954       0.8897060 ?              ?         ?              ?         
1 1 1 33  13 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  14 0  o 36.79788 1.125347  13.60699       0.8255703 13.03571       1.115399  14.29914       1.227735  -1.685654      2.250694  
1 1 1 33  14 1  o 18.46551 1.797414  3.545499       0.5956129 1.901253       0.7955376 5.642769       0.8984720 -10.28381      3.594827  
1 1 1 33  14 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  14 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 33  15 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34  0  0  o 19.59636 1.390729  3.908431       0.5395415 3.908431       0.5395415 3.908431       0.5395415 -0.000000      0.000000  
1 1 1 34  0  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34  0  2  o 46.16837 0.9068589 21.40268       0.8354958 21.92080       1.205673  20.92401       1.158856  -0.000000      0.000000  
1 1 1 34  0  3  o 6.526062 1.967932  0.5998533      0.2686282 0.7781738      0.3957922 0.4475545      0.3657759 -0.000000      0.000000  
1 1 1 34  0  4  o 10.17501 1.589523  1.186933       0.2798987 1.555776       0.4022088 0.8405725      0.3897578 -0.000000      0.000000  
1 1 1 34  0  5  o 46.75459 0.9105350 21.96600       0.8499907 22.12362       1.206131  21.81049       1.198047  -0.000000      0.000000  
1 1 1 34  0  6  o 22.62899 0.8612520 5.175606       0.3853305 4.510905       0.5352988 5.890447       0.5551210 -0.000000      0.000000  
1 1 1 34  0  7  o 2.944067 1.429018  -0.1977222     0.2550051 -0.2090765     0.3855666 -0.1888940     0.3399827 -0.000000      0.000000  
1 1 1 34  0  8  o 29.56788 0.8191769 8.798935       0.4819701 8.120206       0.6728285 9.514287       0.6907419 -0.000000      0.000000  
1 1 1 34  0  9  o 5.787226 1.836116  0.4524097      0.2751918 0.8616133E-01  0.4002841 0.7806612      0.3789517 -0.000000      0.000000  
1 1 1 34  0  10 o 5.115055 1.902730  0.3664261      0.2741311 0.1648213      0.4024838 0.5408761      0.3743980 -0.000000      0.000000  
1 1 1 34  0  11 o 38.05260 0.8480968 14.55826       0.6439795 14.82794       0.9155126 14.29416       0.9060109 -0.000000      0.000000  
1 1 1 34  1  0  o 8.179193 1.131572  0.7416644      0.1910144 1.286453       0.2673636 0.1736857      0.2729947 6.280253       2.263145  
1 1 1 34  1  1  o 41.96004 0.6116929 17.64621       0.5133107 17.61817       0.7223023 17.67481       0.7296147 -0.6653214E-01 1.223386  
1 1 1 34  1  2  o 14.54647 0.9929882 2.105021       0.2857163 1.707364       0.3841821 2.597155       0.4273906 -3.048942      1.985976  
1 1 1 34  1  3  o 16.43856 0.9309762 2.719224       0.3053969 2.752903       0.4196472 2.681305       0.4452852 0.2230778      1.861952  
1 1 1 34  1  4  o 24.99427 0.5825211 6.258440       0.2911116 6.051985       0.4081463 6.472231       0.4153357 -0.8397636     1.165042  
1 1 1 34  1  5  o 16.59673 0.6892443 2.767183       0.2284164 2.882639       0.3188700 2.645500       0.3273563 0.7157269      1.378489  
1 1 1 34  1  6  o 33.62047 0.5812386 11.31642       0.3905927 11.86734       0.5619999 10.80167       0.5432405 1.582336       1.162477  
1 1 1 34  1  7  f 51.79634 0.6741643 26.86357       0.6976550 27.93880       1.015453  25.90229       0.9601356 1.956985       1.348329  
1 1 1 34  1  8  o 19.90571 0.6199491 3.969061       0.2466511 3.779360       0.3431830 4.171752       0.3547385 -0.9838371     1.239898  
1 1 1 34  1  9  o 41.30945 0.6037399 17.10851       0.4987886 17.13809       0.7083802 17.07941       0.7024446 0.7012558E-01  1.207480  
1 1 1 34  1  10 o 26.88678 0.5747510 7.244472       0.3090089 7.295310       0.4418225 7.195792       0.4323408 0.1837387      1.149502  
1 1 1 34  1  11 o 26.66161 0.5704651 7.093949       0.3035063 6.647236       0.4129002 7.619011       0.4476478 -1.817448      1.140930  
1 1 1 34  2  0  o 47.60505 0.6471534 22.71874       0.6161364 22.81392       0.8691245 22.62257       0.8735898 0.2015762      1.294307  
1 1 1 34  2  1  o 39.27052 0.5956488 15.45318       0.4677719 15.79636       0.6655823 15.11822       0.6575497 0.8623848      1.191298  
1 1 1 34  2  2  o 5.177273 1.317863  0.2275557      0.1745521 0.2556077      0.2360572 0.1937122      0.2592819 0.2298193      2.635725  
1 1 1 34  2  3  o 35.29365 0.5771880 12.46709       0.4070514 12.14218       0.5613474 12.82737       0.5911210 -0.9668884     1.154376  
1 1 1 34  2  4  f 30.78762 0.7512549 9.507901       0.4622518 9.405187       0.6401632 9.619804       0.6681821 -0.3438969     1.502510  
1 1 1 34  2  5  o 20.49294 0.6849231 4.215057       0.2749582 4.197753       0.4346499 4.226603       0.3550223 -0.8261871E-01 1.369846  
1 1 1 34  2  6  f 15.53691 0.6810287 2.402718       0.2102309 2.045736       0.2850634 2.828399       0.3112870 -2.514597      1.362057  
1 1 1 34  2  7  o 33.72382 0.5719385 11.37603       0.3853301 10.93236       0.5298814 11.87398       0.5613580 -1.391750      1.143877  
1 1 1 34  2  8  o 46.91853 0.6399947 22.07598       0.6005298 22.28577       0.8536352 21.87044       0.8449857 0.4412117      1.279989  
1 1 1 34  2  9  o 33.88890 0.5668125 11.51099       0.3840207 11.52675       0.5357952 11.49434       0.5506855 0.4992676E-01  1.133625  
1 1 1 34  2  10 o 42.61790 0.6057370 18.20577       0.5161961 18.06580       0.7215254 18.35253       0.7388043 -0.3338432     1.211474  
1 1 1 34  2  11 o 16.83074 0.8130898 2.826764       0.2715873 2.699867       0.3591037 2.996340       0.4151224 -0.8692226     1.626180  
1 1 1 34  3  0  o 37.81494 0.5887047 14.31627       0.4449975 14.97007       0.6396059 13.70290       0.6195177 1.672985       1.177409  
1 1 1 34  3  1  o 15.27217 0.6758015 2.336850       0.2061530 2.297742       0.2834389 2.380776       0.3003874 -0.2693071     1.351603  
1 1 1 34  3  2  o 44.85436 0.6239612 20.14974       0.5593740 19.67856       0.7740797 20.66469       0.8092396 -1.094349      1.247922  
1 1 1 34  3  3  o 11.28055 0.8190833 1.279656       0.1842142 1.303049       0.2520940 1.252852       0.2698478 0.2256937      1.638167  
1 1 1 34  3  4  f 16.66830 0.6503926 2.811923       0.2139876 3.316706       0.3016799 2.300768       0.3035775 3.047788       1.300785  
1 1 1 34  3  5  o 19.09014 0.6951561 3.768364       0.2557811 4.198254       0.3330441 3.150156       0.3993844 2.755377       1.390312  
1 1 1 34  3  6  o 6.539378 1.311842  0.4017333      0.1887823 0.2008735      0.2476531 0.6803426      0.2916723 -3.011791      2.623683  
1 1 1 34  3  7  f 34.70824 0.5687432 12.07520       0.3947162 12.36976       0.5583972 11.78103       0.5580291 0.8480644      1.137486  
1 1 1 34  3  8  f 22.08113 0.5637617 4.869174       0.2480542 4.694023       0.3343693 5.083552       0.3699218 -0.8769779     1.127523  
1 1 1 34  3  9  o 32.02943 0.5575125 10.28020       0.3569508 10.73452       0.5080556 9.837323       0.5016156 1.399702       1.115025  
1 1 1 34  3  10 o 47.04379 0.8547624 22.35003       0.7864937 21.71818       1.240625  22.77459       1.016964  -1.169411      1.709525  
1 1 1 34  3  11 o 7.322376 2.703767  0.4404013      0.5229222 0.4404013      0.5229222 ?              ?         ?              ?         
1 1 1 34  4  0  o 14.96346 0.6699487 2.247701       0.1996669 2.273129       0.2711992 2.217603       0.2950492 0.1890373      1.339897  
1 1 1 34  4  1  o 19.17955 0.5936844 3.704740       0.2260137 4.231040       0.3198341 3.179771       0.3194295 2.740545       1.187369  
1 1 1 34  4  2  o 36.31360 0.5793564 13.21668       0.4206914 13.47811       0.5939506 12.95348       0.5959493 0.7226181      1.158713  
1 1 1 34  4  3  f 39.69400 0.5920090 15.78775       0.4699253 16.14045       0.6691868 15.44460       0.6600566 0.8753204      1.184018  
1 1 1 34  4  4  o 45.79153 0.6265569 21.01800       0.5736131 20.91207       0.7996335 21.13029       0.8233072 -0.2349472     1.253114  
1 1 1 34  4  5  o 23.57914 0.5532336 5.589406       0.2596230 6.218545       0.3669309 4.958677       0.3673942 2.671633       1.106467  
1 1 1 34  4  6  o 17.24273 0.5950320 3.002571       0.2029632 3.159400       0.2722082 2.806225       0.3045785 1.028702       1.190064  
1 1 1 34  4  7  o 19.69801 0.6764910 3.948166       0.2626934 4.479794       0.3605184 3.346410       0.3835607 2.880745       1.352982  
1 1 1 34  4  8  o 19.33970 0.8412606 0.000000       0.000000  ?              ?         3.749625       0.3253946 ?              ?         
1 1 1 34  4  9  o 41.65142 0.9310276 17.45224       0.7755691 17.40034       1.097108  17.50409       1.096533  -0.1246796     1.862055  
1 1 1 34  4  10 o 8.819033 1.872197  0.8075516      0.3580102 0.8999051      0.4951092 0.7063470      0.5182918 0.8450174      3.744394  
1 1 1 34  5  0  o 14.83048 0.6332508 2.198225       0.1874821 2.096628       0.2558099 2.316126       0.2755710 -0.7372246     1.266502  
1 1 1 34  5  1  o 45.64606 0.6275941 20.87960       0.5727704 20.59768       0.7983289 21.17866       0.8222396 -0.6330605     1.255188  
1 1 1 34  5  2  o 63.00088 0.7621007 39.82801       0.9601731 40.35594       1.369124  39.31705       1.346928  0.8207779      1.524201  
1 1 1 34  5  3  o 42.05085 0.6022095 17.72146       0.5063434 17.64421       0.7075636 17.80254       0.7249066 -0.1859283     1.204419  
1 1 1 34  5  4  o 51.90027 0.6691259 27.01372       0.6944774 26.96135       0.9743903 27.06778       0.9900761 -0.1001244     1.338252  
1 1 1 34  5  5  o 6.471042 1.012441  0.4440872      0.1270096 0.4919160      0.1615566 0.3666933      0.2055101 1.054200       2.024881  
1 1 1 34  5  6  o 16.05097 0.9695557 2.615312       0.2420802 2.557730       0.5576226 2.628685       0.2687240 -0.2857208     1.939111  
1 1 1 34  5  7  o 18.68538 1.659938  3.665344       0.5258089 3.767279       0.6063159 3.356136       1.055997  1.278749       3.319876  
1 1 1 34  5  8  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34  5  9  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34  5  10 x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34  6  0  o 21.74253 0.5092170 4.733675       0.2213313 4.691529       0.3077850 4.778809       0.3185098 -0.1994991     1.018434  
1 1 1 34  6  1  o 38.23164 0.9690298 14.57364       0.7375483 13.33391       0.9875461 16.13737       1.109107  -3.640438      1.938060  
1 1 1 34  6  2  o 21.94222 1.083167  4.854528       0.4749114 5.033762       0.6669208 4.670146       0.6764324 0.8308754      2.166334  
1 1 1 34  6  3  o 39.11975 0.9584893 15.38391       0.7494948 15.09878       1.039221  15.69297       1.081961  -0.7500916     1.916979  
1 1 1 34  6  4  o 35.08662 0.9561499 12.37020       0.6701698 12.09124       0.9216809 12.68313       0.9761932 -0.8312492     1.912300  
1 1 1 34  6  5  f 20.31188 1.112580  4.165515       0.4507381 4.548055       0.6407617 3.790807       0.6341692 1.862268       2.225160  
1 1 1 34  6  6  o 38.64173 0.9522594 15.02724       0.7357403 14.97809       1.027859  15.07889       1.053606  -0.1242409     1.904519  
1 1 1 34  6  7  o 21.69944 1.084915  4.748657       0.4704165 5.007072       0.6682950 4.494868       0.6622847 1.178608       2.169831  
1 1 1 34  6  8  o 12.41493 1.646759  1.606166       0.3989545 1.720934       0.5500530 1.478776       0.5795127 1.207185       3.293517  
1 1 1 34  6  9  o 17.73072 1.727855  3.177209       0.6127223 3.177209       0.6127223 ?              ?         ?              ?         
1 1 1 34  7  0  o 41.57284 0.9882867 17.29384       0.8187140 16.33816       1.101894  18.47165       1.223268  -2.539474      1.976573  
1 1 1 34  7  1  o 17.79715 1.277747  3.177016       0.4520791 2.726971       0.6137437 3.710823       0.6684233 -2.748465      2.555495  
1 1 1 34  7  2  o 18.54870 1.226651  3.468057       0.4535306 3.091000       0.6279289 3.879270       0.6557539 -2.117067      2.453301  
1 1 1 34  7  3  o 19.72108 1.174179  3.926136       0.4624992 3.670349       0.6504309 4.187733       0.6577762 -1.309731      2.348359  
1 1 1 34  7  4  o 36.75360 0.9707972 13.54659       0.7120115 14.86547       1.040006  12.38307       0.9768327 3.362144       1.941594  
1 1 1 34  7  5  o 41.34671 0.9791825 17.20978       0.8092277 17.13959       1.123962  17.28531       1.166039  -0.1658363     1.958365  
1 1 1 34  7  6  o 12.05598 1.719340  1.537457       0.4000315 1.678886       0.5651038 1.395399       0.5663581 1.181732       3.438681  
1 1 1 34  7  7  o 31.94657 0.9761776 10.26632       0.6231035 10.13075       0.8600264 10.41612       0.9040217 -0.4361534     1.952355  
1 1 1 34  7  8  o 10.86503 2.638017  1.256858       0.5683119 1.256858       0.5683119 ?              ?         ?              ?         
1 1 1 34  8  0  o 53.63234 1.076114  28.97333       1.153934  28.81738       1.610123  29.13801       1.654604  -0.2880859     2.152228  
1 1 1 34  8  1  o 28.83685 1.037454  8.355270       0.5976593 7.943888       0.8224015 8.815701       0.8700452 -1.500210      2.074909  
1 1 1 34  8  2  f 18.34600 1.298288  3.414723       0.4733549 3.875761       0.6724302 2.961837       0.6664598 2.488974       2.596576  
1 1 1 34  8  3  o 47.89100 1.035634  23.09317       0.9916034 23.94579       1.420266  22.28228       1.385074  1.727802       2.071268  
1 1 1 34  8  4  o 18.90161 1.248612  3.606940       0.4714738 3.374694       0.6539717 3.858291       0.6803390 -1.270941      2.497224  
1 1 1 34  8  5  o 31.39135 0.9951625 9.919483       0.6240922 9.856200       0.8612359 9.989459       0.9056364 -0.2012844     1.990325  
1 1 1 34  8  6  o 29.29767 1.014273  8.657343       0.5931594 9.241423       0.8366714 8.067130       0.8410538 2.005157       2.028546  
1 1 1 34  8  7  o 20.34729 1.691715  4.181984       0.6884363 4.181984       0.6884363 ?              ?         ?              ?         
1 1 1 34  9  0  o 54.19329 1.100702  29.60164       1.192808  29.42860       1.669437  29.78210       1.704893  -0.3169975     2.201405  
1 1 1 34  9  1  o 65.29874 1.201662  43.06213       1.569213  43.29449       2.208965  42.82540       2.229583  0.3651733      2.403323  
1 1 1 34  9  2  o 8.583649 2.060771  0.7074667      0.4231886 0.7750191      0.6058218 0.6430929      0.5913970 0.5477991      4.121543  
1 1 1 34  9  3  o 11.20863 1.800047  1.280195       0.4432883 0.3932749      0.6107351 2.267678       0.6444299 -7.453570      3.600094  
1 1 1 34  9  4  f 6.237022 1.853062  0.1790615E-01  0.4016516 0.2748474      0.5701697 -0.2351983     0.5658966 1.401252       3.706124  
1 1 1 34  9  5  o 8.984543 1.943457  0.7659817      0.4110568 0.3089003      0.5662603 1.275149       0.5976534 -3.909689      3.886915  
1 1 1 34  9  6  o 44.47264 2.171764  20.10998       1.931682  20.10998       1.931682  ?              ?         ?              ?         
1 1 1 34  10 0  o 40.54872 1.045277  16.57113       0.8475327 16.85723       1.194886  16.28146       1.202333  0.7119102      2.090555  
1 1 1 34  10 1  o 27.46000 1.115183  7.531133       0.6087143 6.504527       0.8192665 8.796302       0.9094895 -4.147577      2.230366  
1 1 1 34  10 2  o 23.55036 1.201814  5.604551       0.5658051 5.683545       0.7919208 5.522179       0.8086811 0.3476105      2.403627  
1 1 1 34  10 3  o 50.86243 1.090434  26.03849       1.107778  25.27962       1.520294  26.89750       1.617489  -1.564571      2.180868  
1 1 1 34  10 4  f 24.46844 1.213325  6.023605       0.5921351 5.727242       0.8019873 6.378788       0.8779729 -1.308645      2.426650  
1 1 1 34  10 5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34  11 0  o 38.69293 1.062902  15.06448       0.8217477 14.49575       1.132285  15.69739       1.194460  -1.536343      2.125804  
1 1 1 34  11 1  o 16.89782 1.541080  2.920448       0.5138098 2.358400       0.7209635 3.500543       0.7324461 -3.375290      3.082160  
1 1 1 34  11 2  o 22.48111 1.268375  5.126845       0.5680591 5.350543       0.7810079 4.875576       0.8277412 1.070875       2.536749  
1 1 1 34  11 3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34  12 0  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34  12 1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 34  12 2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35  0  0  o 20.63750 0.8940364 4.322784       0.3655754 4.076009       0.5185754 4.566587       0.5154421 -0.000000      0.000000  
1 1 1 35  0  1  o 19.86557 0.9293233 4.012266       0.3637536 3.490207       0.5072213 4.565074       0.5219450 -0.000000      0.000000  
1 1 1 35  0  2  o 58.18844 1.029447  34.04420       1.196359  34.21012       1.697363  33.88039       1.686503  -0.000000      0.000000  
1 1 1 35  0  3  o 30.89607 0.8107714 9.597074       0.4991910 10.04697       0.7185088 9.177283       0.6940517 -0.000000      0.000000  
1 1 1 35  0  4  o 7.533034 1.893103  0.7463542      0.2672007 0.9647778      0.3966571 0.5648962      0.3615376 -0.000000      0.000000  
1 1 1 35  0  5  o 70.72267 1.174029  50.33157       1.658436  49.89800       2.327068  50.77906       2.364136  -0.000000      0.000000  
1 1 1 35  0  6  o 16.99742 0.9571846 2.958388       0.3205392 2.851131       0.4639844 3.056314       0.4433416 -0.000000      0.000000  
1 1 1 35  0  7  o 13.01082 1.693995  1.785897       0.4289041 1.785897       0.4289041 1.785897       0.4289041 -0.000000      0.000000  
1 1 1 35  1  0  o 16.59713 0.6820225 2.762154       0.2263117 2.734044       0.3152241 2.792054       0.3251109 -0.1732140     1.364045  
1 1 1 35  1  1  o 53.93735 0.6922323 29.15406       0.7462513 30.02208       1.079615  28.35989       1.032667  1.533203       1.384465  
1 1 1 35  1  2  o 26.89796 0.5754577 7.243691       0.3094066 6.981477       0.4294962 7.526583       0.4461107 -1.010963      1.150915  
1 1 1 35  1  3  o 33.57788 0.5716593 11.30132       0.3838872 11.40330       0.5424813 11.19902       0.5433166 0.3043060      1.143319  
1 1 1 35  1  4  f 49.60892 0.6538199 24.68498       0.6487042 24.76369       0.9179430 24.60647       0.9168707 0.1582794      1.307640  
1 1 1 35  1  5  o 39.65299 0.5946184 15.72509       0.4710144 16.63488       0.6857871 14.91269       0.6480439 2.166096       1.189237  
1 1 1 35  1  6  o 18.70052 0.6247934 3.502677       0.2333410 3.246062       0.3245661 3.777207       0.3357038 -1.418419      1.249587  
1 1 1 35  1  7  o 22.74742 0.8510382 5.117666       0.3839906 5.938272       0.5897600 4.513790       0.5059198 3.112789       1.702076  
1 1 1 35  2  0  o 32.85185 0.5722964 10.81553       0.3760174 10.86931       0.5321512 10.76191       0.5313873 0.1633644      1.144593  
1 1 1 35  2  1  o 34.03232 0.5738894 11.57260       0.3899679 11.00220       0.5331054 12.22911       0.5719356 -1.797283      1.147779  
1 1 1 35  2  2  o 22.27374 0.5845228 4.980162       0.2593936 5.531250       0.3694265 4.444252       0.3643032 2.439358       1.169046  
1 1 1 35  2  3  o 22.42944 0.5851742 5.011345       0.2616729 4.577904       0.3544155 5.530773       0.3879808 -2.119194      1.170348  
1 1 1 35  2  4  o 6.654817 1.247189  0.4687102      0.1707502 0.5573830      0.2321432 0.3641889      0.2520361 1.267972       2.494378  
1 1 1 35  2  5  o 21.78769 0.5800154 4.739963       0.2522618 4.434230       0.3445305 5.093282       0.3703739 -1.508785      1.160031  
1 1 1 35  2  6  o 12.49343 0.8042902 1.603431       0.1960867 1.926043       0.2705243 1.246298       0.2846301 2.723161       1.608580  
1 1 1 35  2  7  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35  3  0  o 33.29057 0.7515909 11.11372       0.5000538 11.72818       0.7182505 10.53572       0.6966115 1.787182       1.503182  
1 1 1 35  3  1  o 19.53844 0.6793217 3.843918       0.2624675 3.728191       0.3991438 3.932082       0.3483829 -0.5300236     1.358643  
1 1 1 35  3  2  o 24.73980 0.5613220 6.122530       0.2773724 5.919503       0.3805383 6.352663       0.4051446 -0.8719902     1.122644  
1 1 1 35  3  3  o 15.94148 0.6503772 2.562879       0.2061061 2.838208       0.2883283 2.275181       0.2947334 1.766963       1.300754  
1 1 1 35  3  4  o 17.16246 0.6308635 2.965215       0.2156251 3.227473       0.3018478 2.691928       0.3081291 1.561197       1.261727  
1 1 1 35  3  5  o 20.03766 0.8281251 4.136792       0.2934011 3.811695       0.5559719 4.262276       0.3454157 -1.165264      1.656250  
1 1 1 35  3  6  o 28.90448 0.9203207 8.292036       0.5279273 7.518465       0.6958320 9.341311       0.8103993 -3.126661      1.840641  
1 1 1 35  4  0  o 11.07581 0.8034810 1.228469       0.1773435 1.192200       0.2393806 1.272592       0.2640305 -0.3582048     1.606962  
1 1 1 35  4  1  o 31.64050 0.6486112 10.12295       0.3974701 10.38674       0.5064498 9.699891       0.6413619 1.106678       1.297222  
1 1 1 35  4  2  o 30.52255 0.7086486 9.325853       0.4318185 8.973433       0.5895939 9.733631       0.6342112 -1.237328      1.417297  
1 1 1 35  4  3  o 13.57051 1.017792  0.000000       0.000000  ?              ?         1.848317       0.2762392 ?              ?         
1 1 1 35  4  4  f 29.58436 0.9169376 8.772539       0.5413747 9.610040       0.7901377 8.031485       0.7432505 2.657400       1.833875  
1 1 1 35  4  5  o 11.52896 1.600598  1.396085       0.3596035 1.010211       0.5056647 1.790913       0.5114977 -3.535611      3.201196  
1 1 1 35  4  6  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35  5  0  o 23.40107 0.6115036 5.602018       0.2802811 6.322210       0.3774258 4.716528       0.4185039 3.436831       1.223007  
1 1 1 35  5  1  o 37.26324 1.069584  14.31068       0.6892684 13.36937       1.355314  14.63908       0.8005234 -1.846466      2.139167  
1 1 1 35  5  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35  5  3  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35  5  4  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35  5  5  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35  6  0  o 11.52968 1.759625  1.404202       0.3948170 1.662037       0.5723329 1.170101       0.5453548 2.086185       3.519250  
1 1 1 35  6  1  o 28.70554 0.9864045 8.298474       0.5661030 8.358458       0.7917763 8.235745       0.8097059 0.2181778      1.972809  
1 1 1 35  6  2  f 8.322922 1.952427  0.6771624      0.3794097 0.6110283      0.5284871 0.7475013      0.5450279 -0.6073790     3.904854  
1 1 1 35  6  3  o 36.81730 0.9570679 13.63614       0.7044157 13.48568       0.9794122 13.79738       1.013870  -0.4152374     1.914136  
1 1 1 35  6  4  o 11.07561 2.513874  1.302426       0.5442318 1.302426       0.5442318 ?              ?         ?              ?         
1 1 1 35  7  0  o 11.84327 1.786379  1.483918       0.4101343 1.603002       0.5909293 1.373240       0.5696887 0.9486971      3.572757  
1 1 1 35  7  1  o 14.23519 1.490377  2.062354       0.4227521 1.861652       0.5979441 2.262945       0.5977794 -1.409574      2.980753  
1 1 1 35  7  2  o 25.69613 1.051368  6.651689       0.5402271 6.560222       0.7553952 6.747443       0.7728986 -0.3597889     2.102736  
1 1 1 35  7  3  o 23.23828 1.551922  5.446461       0.7212802 5.446461       0.7212802 ?              ?         ?              ?         
1 1 1 35  8  0  o 6.109975 1.821651  -0.5053393E-02 0.3893356 0.2637710      0.5644692 -0.2489964     0.5377123 1.536079       3.643301  
1 1 1 35  8  1  o 49.81573 1.057867  25.01283       1.053733  25.64159       1.491226  24.38579       1.489182  1.259918       2.115733  
1 1 1 35  8  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 35  9  0  o 68.96355 1.769882  48.08735       2.441147  48.08735       2.441147  ?              ?         ?              ?         
1 1 1 35  9  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 36  0  0  o 12.71987 1.160927  1.671859       0.2876937 1.891975       0.4261591 1.487544       0.3899665 -0.000000      0.000000  
1 1 1 36  0  1  o 4.286059 1.788472  0.2056567      0.2598109 0.3156396      0.3823450 0.1113066      0.3541310 -0.000000      0.000000  
1 1 1 36  0  2  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 36  1  0  f 46.50496 0.6385224 21.68695       0.5938678 21.49201       0.8356568 21.88587       0.8441190 -0.4221344     1.277045  
1 1 1 36  1  1  f 29.11260 0.5781243 8.435015       0.3354059 7.711815       0.4524260 9.317494       0.4997712 -2.750786      1.156249  
1 1 1 36  2  0  o 25.47828 0.5699169 6.499571       0.2902610 6.256346       0.4033055 6.760937       0.4180749 -0.9881516     1.139834  
1 1 1 36  2  1  o 36.07754 0.8275632 13.10822       0.5949830 12.70591       0.8714002 13.45960       0.8143592 -1.056541      1.655126  
1 1 1 36  3  0  o 28.66521 0.8906439 8.265142       0.5102872 8.322702       0.7105643 8.203844       0.7332821 0.2123928      1.781288  
1 1 1 36  3  1  x ?        ?         ?              ?         ?              ?         ?              ?         ?              ?         
1 1 1 36  4  0  o 30.97117 1.376287  9.657801       0.8525041 9.657801       0.8525041 ?              ?         ?              ?         
# 
#END OF REFLECTIONS
